+
+# Model Overview
+
+TargetDiff is a bioinformatics model for target-aware molecule generation and protein-ligand affinity prediction.
+
+The original paper is _3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction_ (ICLR 2023).
+
+# Model Description
+
+TargetDiff is based on a 3D equivariant diffusion network. Given a protein binding pocket, it generates candidate small molecules and can use an EGNN property prediction branch to predict protein-ligand complex affinity.
+
+The current package organizes TargetDiff example scripts, a snapshot of the model implementation, sample inputs, and pretrained weights in the same directory. Datasets will be uploaded later.
+
+# Use Cases
+
+| Use case | Description |
+| :---: | :---: |
+| Protein-ligand affinity prediction | Takes a protein PDB file and ligand SDF file as input, and outputs molar concentration predictions for `Ki`, `Kd`, or `IC50` |
+| Target-aware small molecule generation | Takes a protein binding pocket PDB file as input, and outputs generated molecule `sample.pt` files and SDF files for molecules that can be reconstructed |
+| Diffusion model training | Trains the TargetDiff molecule generation model using CrossDocked2020 pocket data |
+| Property prediction training | Trains an EGNN affinity prediction model using PDBbind data |
+| Generated result evaluation | Computes metrics such as stability, reconstruction success rate, QED, SA, and optional Vina docking metrics for sampling results |
+
+# Usage
+
+## 1. Using OneCode
+
+You can try intelligent one-click AI4S programming through the OneCode online environment:
+
+[Try intelligent one-click AI4S programming](https://web-2069360198568017922-iaaj.ksai.scnet.cn:58043/home)
+
+## 2. Manual Installation and Usage
+
+**Hardware Requirements**
+
+- Running on a GPU or DCU is recommended.
+- CPU can be used for connectivity checks, but it is relatively slow.
+- DCU users need to install DTK in advance. DTK 25.04.2 or later is recommended, or the OneScience-recommended version that matches the current cluster.
+
+**Software Requirements**
+
+First enter an environment where the OneScience bioinformatics dependencies have been installed.
+
+**Environment Checks**
+
+- NVIDIA GPU:
+
+```bash
+nvidia-smi
+```
+
+- Hygon DCU:
+
+```bash
+hy-smi
+```
+
+## Quick Start
+
+### 1. Install the Runtime Environment
+
+```bash
+conda create -n onescience311 python=3.11 -y
+conda activate onescience311
+pip install onescience[bio] -i http://mirrors.onescience.ai:3141/pypi/simple/ --trusted-host mirrors.onescience.ai
+```
+
+If the following code cannot find required libraries at runtime, activate CUDA as shown below.
+
+```bash
+source ${ROCM_PATH}/cuda/env.sh
+export LD_LIBRARY_PATH="$CONDA_PREFIX/lib:$LD_LIBRARY_PATH"
+export LD_LIBRARY_PATH="$CONDA_PREFIX/lib/python3.11/site-packages/fastpt/torch/lib:$LD_LIBRARY_PATH"
+```
+
+### 2. Download the Model
+
+```bash
+modelscope download --model OneScience/targetdiff --local_dir ./targetdiff
+cd targetdiff
+```
+
+### Training Weights and Datasets
+
+Training weights are already included in the `weights` folder and can be used directly after downloading the model package.
+Datasets will be uploaded to ModelScope soon, and command-line downloads will be supported later.
+
+### 3. Affinity Prediction
+
+#### 3.1 Affinity Prediction Training
+
+```bash
+bash scripts/train_prop.sh
+```
+
+This script automatically performs the following steps:
+
+1. Extract binding pockets from the PDBbind refined set.
+2. Split the training, validation, and test sets according to the coreset.
+3. Train an EGNN-based protein-ligand binding affinity prediction model.
+
+#### 3.2 Affinity Prediction Evaluation
+
+Use the trained affinity prediction model to evaluate on the test set. The expected official metrics on PDBBind v2016 are:
+
+| RMSE | MAE | R² | Pearson | Spearman |
+|------|-----|----|---------|----------|
+| 1.316 | 1.031 | 0.633 | 0.797 | 0.782 |
+
+Run:
+
+```bash
+export PYTHONPATH=../../../src:$PYTHONPATH
+python scripts/property_prediction/eval_prop.py \
+ --ckpt_path ${ONESCIENCE_MODELS_DIR}/targetdiff/pretrained_models/egnn_pdbbind_v2016.pt \
+ --device cuda
+```
+
+#### 3.3 Affinity Prediction Inference
+
+```bash
+bash scripts/inference.sh
+```
+
+By default, this script performs affinity prediction on the example protein-ligand pair `3ug2`, using the default weights and example data:
+
+- Model weights: `${ONESCIENCE_MODELS_DIR}/targetdiff/pretrained_models/egnn_pdbbind_v2016.pt`
+- Protein: `${ONESCIENCE_DATASETS_DIR}/targetdiff/examples/3ug2_protein.pdb`
+- Ligand: `${ONESCIENCE_DATASETS_DIR}/targetdiff/examples/3ug2_ligand.sdf`
+- Affinity type: default `Kd`
+- Compute device: default `cuda`
+
+### 4. Molecular Sampling
+
+#### 4.1 Single Test-Set Sample
+
+```bash
+export PYTHONPATH=../../../src:$PYTHONPATH
+python -m scripts.sample_diffusion configs/sampling.yml -i 0 --batch_size 50 --result_path ./outputs
+```
+
+This script reads the diffusion model checkpoint from `configs/sampling.yml`, generates candidate ligand molecules for the `i`-th pocket in the test set, and saves the result as `result_i.pt`.
+
+#### 4.2 Multi-GPU Batch Sampling
+
+```bash
+bash scripts/batch_sample_diffusion.sh configs/sampling.yml outputs 4 0 0
+```
+
+Parameter descriptions:
+
+| Parameter | Description |
+|------|------|
+| `$1` | Sampling configuration file path |
+| `$2` | Result output directory |
+| `$3` | Total number of worker nodes |
+| `$4` | Current node index, starting from 0 |
+| `$5` | Starting data index |
+
+Example of multi-GPU parallel sampling:
+
+```bash
+CUDA_VISIBLE_DEVICES=0 bash scripts/batch_sample_diffusion.sh configs/sampling.yml outputs 4 0 0 &
+CUDA_VISIBLE_DEVICES=1 bash scripts/batch_sample_diffusion.sh configs/sampling.yml outputs 4 1 0 &
+CUDA_VISIBLE_DEVICES=2 bash scripts/batch_sample_diffusion.sh configs/sampling.yml outputs 4 2 0 &
+CUDA_VISIBLE_DEVICES=3 bash scripts/batch_sample_diffusion.sh configs/sampling.yml outputs 4 3 0 &
+wait
+```
+
+The script internally fixes `TOTAL_TASKS=100` and `BATCH_SIZE=50`, and assigns samples to nodes by index modulo.
+
+#### 4.3 Sampling for a Custom PDB Pocket
+
+```bash
+export PYTHONPATH=../../../src:$PYTHONPATH
+python -m scripts.sample_for_pocket configs/sampling.yml \
+ --pdb_path /path/to/pocket.pdb \
+ --result_path ./outputs_pdb \
+ --num_samples 5 \
+ --batch_size 1
+```
+
+Parameter descriptions:
+
+| Parameter | Required | Description |
+|------|----------|------|
+| `config` | Yes | Sampling configuration file path |
+| `--pdb_path` | Yes | Protein pocket PDB file path. A 10 Å pocket is recommended. |
+| `--result_path` | No | Result output directory, default `./outputs_pdb` |
+| `--num_samples` | No | Number of molecules to sample, read from the configuration file by default |
+| `--batch_size` | No | Batch size, default `100` |
+| `--device` | No | Compute device, default `cuda:0` |
+
+Sampling results are saved as `outputs_pdb/sample.pt`, and successfully reconstructed molecules are additionally written to `outputs_pdb/sdf/`.
+
+### 5. Generated Molecule Evaluation
+
+#### 5.1 Evaluation from Sampling Results
+
+If docking evaluation is required (`vina_score` / `vina_dock` / `qvina`), also install:
+
+```bash
+pip install meeko==0.1.dev3 scipy pdb2pqr vina==1.2.2
+python -m pip install git+https://github.com/Valdes-Tresanco-MS/AutoDockTools_py3
+```
+
+```bash
+export PYTHONPATH=../../../src:$PYTHONPATH
+python scripts/evaluate_diffusion.py ./outputs --docking_mode vina_score --protein_root /path/to/protein_root
+```
+
+Parameter descriptions:
+
+| Parameter | Required | Description |
+|------|----------|------|
+| `sample_path` | Yes | Sampling result directory containing `result_*.pt` files |
+| `--docking_mode` | Yes | Docking mode. Options: `none`, `vina_score`, `vina_dock`, `qvina` |
+| `--protein_root` | No | Root directory of the original protein files, used for docking evaluation |
+| `--eval_step` | No | Which sampling step to evaluate, default `-1` (the final step) |
+| `--eval_num_examples` | No | Number of samples to evaluate, default all |
+| `--exhaustiveness` | No | Docking search intensity, default `16` |
+| `--save` | No | Whether to save evaluation results, default `True` |
+
+Supported docking modes:
+
+| Mode | Description |
+|------|------|
+| `none` | Computes only metrics such as validity, uniqueness, and novelty, without docking |
+| `vina_score` | Uses AutoDock Vina to score generated molecules |
+| `vina_dock` | Uses AutoDock Vina to redock generated molecules |
+| `qvina` | Uses QuickVina for docking |
+
+The first run in `vina_score` or `vina_dock` mode may take some time to prepare `pdbqt` and `pqr` files.
+
+#### 5.2 Evaluation from Meta Files
+
+The official project provides sampled and docked meta files, including TargetDiff and baselines such as CVAE, AR, and Pocket2Mol. These files can be downloaded and evaluated directly:
+
+| Meta file | Corresponding paper |
+|-----------|----------|
+| `crossdocked_test_vina_docked.pt` | Original test-set docking results |
+| `cvae_vina_docked.pt` | liGAN |
+| `ar_vina_docked.pt` | AR |
+| `pocket2mol_vina_docked.pt` | Pocket2Mol |
+| `targetdiff_vina_docked.pt` | TargetDiff |
+
+Official meta file download URL: https://drive.google.com/drive/folders/19imu-mlwrjnQhgbXpwsLgA17s1Rv70YS?usp=share_link
+
+Evaluation command:
+
+```bash
+export PYTHONPATH=../../../src:$PYTHONPATH
+python scripts/evaluate_from_meta.py sampling_results/targetdiff_vina_docked.pt --result_path eval_targetdiff
+```
+
+Parameter descriptions:
+
+| Parameter | Required | Description |
+|------|----------|------|
+| `meta_file` | Yes | `.pt` file containing sampling and docking results |
+| `--result_path` | No | Evaluation result output directory, default `eval_results` |
+
+---
+
+### 6. Diffusion Model Training
+
+```bash
+bash train_diffusion.sh
+```
+
+By default, this reads `configs/training.yml`, trains on the CrossDocked2020 pocket dataset, and saves logs and checkpoints to `./logs_diffusion/`.
+
+**Custom configuration or parameter overrides:**
+
+```bash
+# Specify a custom configuration file
+bash train_diffusion.sh configs/custom_training.yml
+
+# Override training parameters from the command line
+bash train_diffusion.sh --train.batch_size 8 --train.max_iters 500000
+```
+
+**Main training parameters:**
+
+| Parameter | Default value | Description |
+|------|--------|------|
+| `data.path` | `${ONESCIENCE_DATASETS_DIR}/targetdiff/data/crossdocked_v1.1_rmsd1.0_pocket10` | Training data directory |
+| `data.split` | `${ONESCIENCE_DATASETS_DIR}/targetdiff/data/crossdocked_pocket10_pose_split.pt` | Training/validation/test split file |
+| `train.batch_size` | `4` | Batch size |
+| `train.max_iters` | `10000000` | Maximum number of iterations |
+| `train.lr` | `5.e-4` | Learning rate |
+| `logdir` | `./logs_diffusion` | Log output directory |
+
+---
+
+### 7. Data Preprocessing
+
+#### 7.1 CrossDocked2020 Data Preprocessing
+
+To process CrossDocked2020 data from scratch, follow these steps:
+
+1. Download CrossDocked2020 v1.1 and save it to `data/CrossDocked2020`.
+2. Filter samples with RMSD < 1 Angstrom:
+
+ ```bash
+ export PYTHONPATH=../../../src:$PYTHONPATH
+ python scripts/data_preparation/clean_crossdocked.py \
+ --source data/CrossDocked2020 \
+ --dest data/crossdocked_v1.1_rmsd1.0 \
+ --rmsd_thr 1.0
+ ```
+
+3. Extract 10 Å binding pockets from proteins:
+
+ ```bash
+ python scripts/data_preparation/extract_pockets.py \
+ --source data/crossdocked_v1.1_rmsd1.0 \
+ --dest data/crossdocked_v1.1_rmsd1.0_pocket10
+ ```
+
+4. Split the training and test sets:
+
+ ```bash
+ python scripts/data_preparation/split_pl_dataset.py \
+ --path data/crossdocked_v1.1_rmsd1.0_pocket10 \
+ --dest data/crossdocked_pocket10_pose_split.pt \
+ --fixed_split data/split_by_name.pt
+ ```
+
+#### 7.2 PDBbind Data Preprocessing
+
+The affinity prediction training script `train_prop.sh` automatically performs pocket extraction and dataset splitting. To run these steps separately, use the following commands:
+
+```bash
+export PYTHONPATH=../../../src:$PYTHONPATH
+
+python scripts/property_prediction/extract_pockets.py \
+ --source data/pdbbind_v2020 \
+ --dest data/pdbbind_v2020_processed \
+ --subset refined \
+ --num_workers 16
+
+python scripts/property_prediction/pdbbind_split.py \
+ --split_mode coreset \
+ --index_path data/pdbbind_v2020_processed/pocket_10_refined/index.pkl \
+ --test_path data/pdbbind_v2016/coreset \
+ --save_path data/pdbbind_v2020_processed/pocket_10_refined/split.pt
+```
+
+---
+
+# Official OneScience Information
+
+| Platform | OneScience main repository | Skills repository |
+| --- | --- | --- |
+| Gitee | https://gitee.com/onescience-ai/onescience | https://gitee.com/onescience-ai/oneskills |
+| GitHub | https://github.com/onescience-ai/OneScience | https://github.com/onescience-ai/oneskills |
+
+# Citation and License
+
+- The original TargetDiff code is licensed under the MIT License. This repository retains source attribution and is organized for OneScience ModelScope automated runtime scenarios.
+- If you use TargetDiff results in research, we recommend citing the original TargetDiff paper and relevant OneScience project information. Depending on the actual task, also add citations for datasets or tools such as CrossDocked2020, PDBbind, RDKit, OpenBabel, and Vina/QVina.
+
+```bibtex
+@inproceedings{guan3d,
+ title={3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction},
+ author={Guan, Jiaqi and Qian, Wesley Wei and Peng, Xingang and Su, Yufeng and Peng, Jian and Ma, Jianzhu},
+ booktitle={International Conference on Learning Representations},
+ year={2023}
+}
+```
diff --git a/configs/prop/pdbbind_general_egnn.yml b/configs/prop/pdbbind_general_egnn.yml
new file mode 100644
index 0000000000000000000000000000000000000000..f1953009166b1c46c1f3698fc5e453632bb2d635
--- /dev/null
+++ b/configs/prop/pdbbind_general_egnn.yml
@@ -0,0 +1,39 @@
+model:
+ hidden_channels: 256
+ encoder:
+ name: egnn
+ num_layers: 6
+ hidden_dim: 256
+ edge_dim: 0
+ num_r_gaussian: 64
+ act_fn: relu
+ norm: False
+ cutoff: 10.0
+ knn: 48 # kNN Graph
+
+train:
+ seed: 2021
+ batch_size: 4
+ num_workers: 4
+ max_epochs: 200
+ report_iter: 200
+ val_freq: 1
+ pos_noise_std: 0.1
+ max_grad_norm: 10.
+ optimizer:
+ type: adam
+ lr: 1.e-4
+ weight_decay: 0
+ beta1: 0.99
+ beta2: 0.999
+ scheduler:
+ type: plateau
+ factor: 0.6
+ patience: 10
+ min_lr: 1.e-5
+
+dataset:
+ name: pdbbind
+ heavy_only: True
+ path: ${ONESCIENCE_DATASETS_DIR}/targetdiff/data/pdbbind_v2020/pocket_10_general
+ split: ${ONESCIENCE_DATASETS_DIR}/targetdiff/data/pdbbind_v2020/pocket_10_general/split.pt
diff --git a/configs/prop/pdbbind_general_egnn_enc_final_h.yml b/configs/prop/pdbbind_general_egnn_enc_final_h.yml
new file mode 100644
index 0000000000000000000000000000000000000000..8c89869b1de68bc294e28aab4631483f435b3374
--- /dev/null
+++ b/configs/prop/pdbbind_general_egnn_enc_final_h.yml
@@ -0,0 +1,44 @@
+model:
+ hidden_channels: 256
+ enc_ligand_dim: 0
+ enc_node_dim: 128
+ enc_graph_dim: 0
+ enc_feature_type: final_h
+ encoder:
+ name: egnn_enc
+ num_layers: 6
+ hidden_dim: 256
+ edge_dim: 0
+ num_r_gaussian: 64
+ act_fn: relu
+ norm: False
+ cutoff: 10.0
+ knn: 48 # kNN Graph
+
+train:
+ seed: 2021
+ batch_size: 4
+ num_workers: 4
+ max_epochs: 200
+ report_iter: 200
+ val_freq: 1
+ pos_noise_std: 0.1
+ max_grad_norm: 10.
+ optimizer:
+ type: adam
+ lr: 1.e-4
+ weight_decay: 0
+ beta1: 0.99
+ beta2: 0.999
+ scheduler:
+ type: plateau
+ factor: 0.6
+ patience: 10
+ min_lr: 1.e-5
+
+dataset:
+ name: pdbbind
+ heavy_only: True
+ path: ${ONESCIENCE_DATASETS_DIR}/targetdiff/data/pdbbind_v2020/pocket_10_general
+ split: ${ONESCIENCE_DATASETS_DIR}/targetdiff/data/pdbbind_v2020/pocket_10_general/split.pt
+ emb_path: ${ONESCIENCE_DATASETS_DIR}/targetdiff/data/pdbbind_v2020/pdbbind_v2020_all_match_emb.pt
diff --git a/configs/sampling.yml b/configs/sampling.yml
new file mode 100644
index 0000000000000000000000000000000000000000..e7a74dda7228789b921f7d92474988b51af4988c
--- /dev/null
+++ b/configs/sampling.yml
@@ -0,0 +1,10 @@
+model:
+ checkpoint: /public/home/liuyx19/onescience-examples/models/biosciences/TargetDiff/weight/pretrained_diffusion.pt
+
+sample:
+ seed: 2021
+ num_samples: 100
+ num_steps: 1000
+ pos_only: False
+ center_pos_mode: protein
+ sample_num_atoms: prior
diff --git a/configs/training.yml b/configs/training.yml
new file mode 100644
index 0000000000000000000000000000000000000000..ab9cdade52eee22e03b390853de0f6fd3dcf1c8a
--- /dev/null
+++ b/configs/training.yml
@@ -0,0 +1,64 @@
+data:
+ name: pl
+ path: ${ONESCIENCE_DATASETS_DIR}/targetdiff/data/crossdocked_v1.1_rmsd1.0_pocket10
+ split: ${ONESCIENCE_DATASETS_DIR}/targetdiff/data/crossdocked_pocket10_pose_split.pt
+ transform:
+ ligand_atom_mode: add_aromatic
+ random_rot: False
+
+model:
+ model_mean_type: C0 # ['noise', 'C0']
+ beta_schedule: sigmoid
+ beta_start: 1.e-7
+ beta_end: 2.e-3
+ v_beta_schedule: cosine
+ v_beta_s: 0.01
+ num_diffusion_timesteps: 1000
+ loss_v_weight: 100.
+ sample_time_method: symmetric # ['importance', 'symmetric']
+
+ time_emb_dim: 0
+ time_emb_mode: simple
+ center_pos_mode: protein
+
+ node_indicator: True
+ model_type: uni_o2
+ num_blocks: 1
+ num_layers: 9
+ hidden_dim: 128
+ n_heads: 16
+ edge_feat_dim: 4 # edge type feat
+ num_r_gaussian: 20
+ knn: 32 # !
+ num_node_types: 8
+ act_fn: relu
+ norm: True
+ cutoff_mode: knn # [radius, none]
+ ew_net_type: global # [r, m, none]
+ num_x2h: 1
+ num_h2x: 1
+ r_max: 10.
+ x2h_out_fc: False
+ sync_twoup: False
+
+train:
+ seed: 2021
+ batch_size: 4
+ num_workers: 4
+ n_acc_batch: 1
+ max_iters: 10000000
+ val_freq: 100
+ pos_noise_std: 0.1
+ max_grad_norm: 8.0
+ bond_loss_weight: 1.0
+ optimizer:
+ type: adam
+ lr: 5.e-4
+ weight_decay: 0
+ beta1: 0.95
+ beta2: 0.999
+ scheduler:
+ type: plateau
+ factor: 0.6
+ patience: 10
+ min_lr: 1.e-6
diff --git a/examples/3ug2_ligand.sdf b/examples/3ug2_ligand.sdf
new file mode 100644
index 0000000000000000000000000000000000000000..dbb8e82664cc5eae4da0f765a7551a6b1abf06cf
--- /dev/null
+++ b/examples/3ug2_ligand.sdf
@@ -0,0 +1,136 @@
+3ug2_ligand
+
+Created by X-TOOL on Fri Sep 26 17:34:55 2014
+ 56 59 0 0 0 0 0 0 0 0999 V2000
+ 3.4040 46.1170 14.5070 C 0 0 0 3 0 4
+ 4.3860 44.9380 14.3750 C 0 0 0 3 0 4
+ 3.6900 43.6880 14.5540 O 0 0 0 1 0 2
+ 3.0800 43.4440 15.8490 C 0 0 0 3 0 4
+ 2.7940 44.7300 16.6440 C 0 0 0 3 0 4
+ 2.5950 45.8870 15.7230 N 0 3 0 2 0 4
+ 1.5560 46.8550 16.0410 C 0 0 0 3 0 4
+ 1.9860 47.4510 17.3890 C 0 0 0 3 0 4
+ 0.7930 47.7880 18.2910 C 0 0 0 3 0 4
+ -0.0010 48.8270 17.6860 O 0 0 0 1 0 2
+ -0.5460 49.8840 18.3700 C 0 0 0 1 0 3
+ -1.1750 50.8290 17.5810 C 0 0 0 1 0 3
+ -1.7490 51.9430 18.1780 C 0 0 0 2 0 3
+ -1.2170 50.6790 16.2200 O 0 0 0 1 0 2
+ -2.3380 51.2600 15.5080 C 0 0 0 4 0 4
+ -0.5160 50.0310 19.7780 C 0 0 0 2 0 3
+ -1.1300 51.1410 20.3560 C 0 0 0 1 0 3
+ -1.7470 52.0880 19.5480 C 0 0 0 1 0 3
+ -2.3440 53.1660 20.0860 N 0 0 0 1 0 2
+ -2.3130 53.3880 21.3930 C 0 0 0 2 0 3
+ -1.7230 52.5050 22.1960 N 0 0 0 1 0 2
+ -1.1370 51.3830 21.7250 C 0 0 0 1 0 3
+ -0.5500 50.5160 22.5680 N 0 0 0 2 0 3
+ -0.7890 50.3540 23.9050 C 0 0 0 1 0 3
+ -2.0680 50.5030 24.4450 C 0 0 0 2 0 3
+ -2.2860 50.3360 25.8070 C 0 0 0 1 0 3
+ -3.8770 50.5280 26.6050 Cl 0 0 0 1 0 1
+ -1.2480 49.9960 26.6110 C 0 0 0 1 0 3
+ -1.5490 49.8410 27.9240 F 0 0 0 1 0 1
+ 0.0430 49.8020 26.0870 C 0 0 0 2 0 3
+ 0.2670 49.9660 24.7340 C 0 0 0 2 0 3
+ 2.7500 46.1619 13.6237 H 0 0 0 1 0 1
+ 3.9608 47.0611 14.5993 H 0 0 0 1 0 1
+ 5.1698 45.0304 15.1412 H 0 0 0 1 0 1
+ 4.8457 44.9581 13.3759 H 0 0 0 1 0 1
+ 3.7592 42.8126 16.4406 H 0 0 0 1 0 1
+ 2.1295 42.9131 15.6919 H 0 0 0 1 0 1
+ 3.6448 44.9401 17.3088 H 0 0 0 1 0 1
+ 1.8845 44.5874 17.2461 H 0 0 0 1 0 1
+ 1.9433 45.3395 15.1831 H 0 0 0 1 0 1
+ 0.5774 46.3604 16.1290 H 0 0 0 1 0 1
+ 1.5036 47.6369 15.2691 H 0 0 0 1 0 1
+ 2.5570 48.3722 17.2010 H 0 0 0 1 0 1
+ 2.6259 46.7225 17.9085 H 0 0 0 1 0 1
+ 1.1608 48.1326 19.2687 H 0 0 0 1 0 1
+ 0.1740 46.8891 18.4282 H 0 0 0 1 0 1
+ -2.2041 52.7077 17.5590 H 0 0 0 1 0 1
+ -2.2330 51.0584 14.4317 H 0 0 0 1 0 1
+ -2.3565 52.3467 15.6774 H 0 0 0 1 0 1
+ -3.2752 50.8157 15.8745 H 0 0 0 1 0 1
+ -0.0226 49.2909 20.3976 H 0 0 0 1 0 1
+ -2.7652 54.2829 21.8051 H 0 0 0 1 0 1
+ 0.1659 49.8995 22.1578 H 0 0 0 1 0 1
+ -2.8992 50.7515 23.7951 H 0 0 0 1 0 1
+ 0.8599 49.5245 26.7434 H 0 0 0 1 0 1
+ 1.2536 49.7952 24.3187 H 0 0 0 1 0 1
+ 1 2 1 0 0 1
+ 1 6 1 0 0 1
+ 2 3 1 0 0 1
+ 3 4 1 0 0 1
+ 4 5 1 0 0 1
+ 5 6 1 0 0 1
+ 6 7 1 0 0 2
+ 7 8 1 0 0 2
+ 8 9 1 0 0 2
+ 9 10 1 0 0 2
+ 10 11 1 0 0 2
+ 11 12 4 0 0 1
+ 11 16 4 0 0 1
+ 12 13 4 0 0 1
+ 12 14 1 0 0 2
+ 13 18 4 0 0 1
+ 14 15 1 0 0 2
+ 16 17 4 0 0 1
+ 17 18 4 0 0 1
+ 17 22 4 0 0 1
+ 18 19 4 0 0 1
+ 19 20 4 0 0 1
+ 20 21 4 0 0 1
+ 21 22 4 0 0 1
+ 22 23 1 0 0 2
+ 23 24 1 0 0 2
+ 24 25 4 0 0 1
+ 24 31 4 0 0 1
+ 25 26 4 0 0 1
+ 26 27 1 0 0 2
+ 26 28 4 0 0 1
+ 28 29 1 0 0 2
+ 28 30 4 0 0 1
+ 30 31 4 0 0 1
+ 1 32 1 0 0 2
+ 1 33 1 0 0 2
+ 2 34 1 0 0 2
+ 2 35 1 0 0 2
+ 4 36 1 0 0 2
+ 4 37 1 0 0 2
+ 5 38 1 0 0 2
+ 5 39 1 0 0 2
+ 6 40 1 0 0 2
+ 7 41 1 0 0 2
+ 7 42 1 0 0 2
+ 8 43 1 0 0 2
+ 8 44 1 0 0 2
+ 9 45 1 0 0 2
+ 9 46 1 0 0 2
+ 13 47 1 0 0 2
+ 15 48 1 0 0 2
+ 15 49 1 0 0 2
+ 15 50 1 0 0 2
+ 16 51 1 0 0 2
+ 20 52 1 0 0 2
+ 23 53 1 0 0 2
+ 25 54 1 0 0 2
+ 30 55 1 0 0 2
+ 31 56 1 0 0 2
+M END
+>
+C22H25N4O3FCl
+
+>
+447.7
+
+>
+7
+
+>
+6
+
+>
+3.77
+
+$$$$
diff --git a/examples/3ug2_protein.pdb b/examples/3ug2_protein.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..b97bd9725dc52136540cd3c934fe57a020d3ed59
--- /dev/null
+++ b/examples/3ug2_protein.pdb
@@ -0,0 +1,9556 @@
+HEADER 3UG2_PROTEIN
+COMPND 3UG2_PROTEIN
+REMARK GENERATED BY X-TOOL on Wed Jul 31 18:12:35 2013
+SEQRES 1 A 299 GLU ALA PRO ASN GLN ALA LEU LEU ARG ILE LEU LYS GLU
+SEQRES 2 A 299 THR GLU PHE LYS LYS ILE LYS VAL LEU SER SER GLY THR
+SEQRES 3 A 299 VAL TYR LYS GLY LEU TRP ILE PRO GLU GLY GLU LYS VAL
+SEQRES 4 A 299 LYS ILE PRO VAL ALA ILE LYS GLU SER PRO LYS ALA ASN
+SEQRES 5 A 299 LYS GLU ILE LEU ASP GLU ALA TYR VAL MET ALA SER VAL
+SEQRES 6 A 299 ASP ASN PRO HIS VAL CYS ARG LEU LEU GLY ILE CYS LEU
+SEQRES 7 A 299 THR SER THR VAL GLN LEU ILE MET GLN LEU MET PRO PHE
+SEQRES 8 A 299 GLY CYS LEU LEU ASP TYR VAL ARG GLU HIS LYS ASP ASN
+SEQRES 9 A 299 ILE GLY SER GLN TYR LEU LEU ASN TRP CYS VAL GLN ILE
+SEQRES 10 A 299 ALA LYS GLY MET ASN TYR LEU GLU ASP ARG ARG LEU VAL
+SEQRES 11 A 299 HIS ARG ASP LEU ALA ALA ARG ASN VAL LEU VAL LYS THR
+SEQRES 12 A 299 PRO GLN HIS VAL LYS ILE THR ASP PHE GLY LEU ALA LYS
+SEQRES 13 A 299 LEU LEU GLY ALA GLU GLU LYS GLU TYR HIS ALA GLU GLY
+SEQRES 14 A 299 GLY LYS VAL PRO ILE LYS TRP MET ALA LEU GLU SER ILE
+SEQRES 15 A 299 LEU HIS ARG ILE TYR THR HIS GLN SER ASP VAL TRP SER
+SEQRES 16 A 299 TYR GLY VAL THR VAL TRP GLU LEU MET THR PHE GLY SER
+SEQRES 17 A 299 LYS PRO TYR ASP GLY ILE PRO ALA SER GLU ILE SER SER
+SEQRES 18 A 299 ILE LEU GLU LYS GLY GLU ARG LEU PRO GLN PRO PRO ILE
+SEQRES 19 A 299 CYS THR ILE ASP VAL TYR MET ILE MET VAL LYS CYS TRP
+SEQRES 20 A 299 MET ILE ASP ALA ASP SER ARG PRO LYS PHE ARG GLU LEU
+SEQRES 21 A 299 ILE ILE GLU PHE SER LYS MET ALA ARG ASP PRO GLN ARG
+SEQRES 22 A 299 TYR LEU VAL ILE GLN GLY ASP GLU ARG MET HIS LEU GLU
+SEQRES 23 A 299 ASP MET ASP ASP VAL VAL ASP ALA ASP GLU TYR LEU ILE
+SEQRES 1 B 299 GLU ALA PRO ASN GLN ALA LEU LEU ARG ILE LEU LYS GLU
+SEQRES 2 B 299 THR GLU PHE LYS LYS ILE LYS VAL LEU SER SER GLY THR
+SEQRES 3 B 299 VAL TYR LYS GLY LEU TRP ILE PRO GLU GLY GLU LYS VAL
+SEQRES 4 B 299 LYS ILE PRO VAL ALA ILE LYS GLU SER PRO LYS ALA ASN
+SEQRES 5 B 299 LYS GLU ILE LEU ASP GLU ALA TYR VAL MET ALA SER VAL
+SEQRES 6 B 299 ASP ASN PRO HIS VAL CYS ARG LEU LEU GLY ILE CYS LEU
+SEQRES 7 B 299 THR SER THR VAL GLN LEU ILE MET GLN LEU MET PRO PHE
+SEQRES 8 B 299 GLY CYS LEU LEU ASP TYR VAL ARG GLU HIS LYS ASP ASN
+SEQRES 9 B 299 ILE GLY SER GLN TYR LEU LEU ASN TRP CYS VAL GLN ILE
+SEQRES 10 B 299 ALA LYS GLY MET ASN TYR LEU GLU ASP ARG ARG LEU VAL
+SEQRES 11 B 299 HIS ARG ASP LEU ALA ALA ARG ASN VAL LEU VAL LYS THR
+SEQRES 12 B 299 PRO GLN HIS VAL LYS ILE THR ASP PHE GLY LEU ALA LYS
+SEQRES 13 B 299 LEU LEU GLY ALA GLU GLU LYS GLU TYR HIS ALA GLU GLY
+SEQRES 14 B 299 GLY LYS VAL PRO ILE LYS TRP MET ALA LEU GLU SER ILE
+SEQRES 15 B 299 LEU HIS ARG ILE TYR THR HIS GLN SER ASP VAL TRP SER
+SEQRES 16 B 299 TYR GLY VAL THR VAL TRP GLU LEU MET THR PHE GLY SER
+SEQRES 17 B 299 LYS PRO TYR ASP GLY ILE PRO ALA SER GLU ILE SER SER
+SEQRES 18 B 299 ILE LEU GLU LYS GLY GLU ARG LEU PRO GLN PRO PRO ILE
+SEQRES 19 B 299 CYS THR ILE ASP VAL TYR MET ILE MET VAL LYS CYS TRP
+SEQRES 20 B 299 MET ILE ASP ALA ASP SER ARG PRO LYS PHE ARG GLU LEU
+SEQRES 21 B 299 ILE ILE GLU PHE SER LYS MET ALA ARG ASP PRO GLN ARG
+SEQRES 22 B 299 TYR LEU VAL ILE GLN GLY ASP GLU ARG MET HIS LEU GLU
+SEQRES 23 B 299 ASP MET ASP ASP VAL VAL ASP ALA ASP GLU TYR LEU ILE
+ATOM 1 N GLU A 697 7.253 66.564 48.306 1.00 48.38 N
+ATOM 2 HN1 GLU A 697 8.292 66.565 48.357 1.00 0.00 H
+ATOM 3 HN2 GLU A 697 6.858 66.373 49.249 1.00 0.00 H
+ATOM 4 HN3 GLU A 697 6.938 65.828 47.642 1.00 0.00 H
+ATOM 5 CA GLU A 697 6.770 67.922 47.822 1.00 49.94 C
+ATOM 6 HA GLU A 697 7.036 68.645 48.593 1.00 0.00 H
+ATOM 7 C GLU A 697 5.162 68.023 47.708 1.00 49.19 C
+ATOM 8 O GLU A 697 4.438 67.610 48.686 1.00 48.79 O
+ATOM 9 CB GLU A 697 7.528 68.371 46.494 1.00 49.54 C
+ATOM 10 HB1 GLU A 697 8.598 68.435 46.692 1.00 0.00 H
+ATOM 11 HB2 GLU A 697 7.346 67.639 45.708 1.00 0.00 H
+ATOM 12 N ALA A 698 4.624 68.546 46.562 1.00 46.84 N
+ATOM 13 H ALA A 698 5.264 68.829 45.792 1.00 0.00 H
+ATOM 14 CA ALA A 698 3.134 68.728 46.374 1.00 44.99 C
+ATOM 15 HA ALA A 698 2.845 69.316 47.245 1.00 0.00 H
+ATOM 16 C ALA A 698 2.326 67.406 46.417 1.00 43.18 C
+ATOM 17 O ALA A 698 2.853 66.335 46.148 1.00 43.12 O
+ATOM 18 CB ALA A 698 2.751 69.555 45.089 1.00 44.42 C
+ATOM 19 HB1 ALA A 698 3.193 70.549 45.153 1.00 0.00 H
+ATOM 20 HB2 ALA A 698 3.129 69.044 44.204 1.00 0.00 H
+ATOM 21 HB3 ALA A 698 1.666 69.642 45.024 1.00 0.00 H
+ATOM 22 N PRO A 699 1.051 67.491 46.829 1.00 41.61 N
+ATOM 23 CA PRO A 699 0.099 66.364 46.739 1.00 39.28 C
+ATOM 24 HA PRO A 699 0.499 65.452 47.182 1.00 0.00 H
+ATOM 25 C PRO A 699 -0.249 66.027 45.269 1.00 38.95 C
+ATOM 26 O PRO A 699 -0.542 66.907 44.464 1.00 38.09 O
+ATOM 27 CB PRO A 699 -1.144 66.916 47.421 1.00 39.03 C
+ATOM 28 HB1 PRO A 699 -1.885 67.219 46.681 1.00 0.00 H
+ATOM 29 HB2 PRO A 699 -1.580 66.170 48.085 1.00 0.00 H
+ATOM 30 CG PRO A 699 -0.649 68.140 48.228 1.00 38.60 C
+ATOM 31 HG1 PRO A 699 -1.441 68.885 48.304 1.00 0.00 H
+ATOM 32 HG2 PRO A 699 -0.344 67.832 49.228 1.00 0.00 H
+ATOM 33 CD PRO A 699 0.478 68.686 47.512 1.00 39.59 C
+ATOM 34 HD1 PRO A 699 1.200 69.130 48.197 1.00 0.00 H
+ATOM 35 HD2 PRO A 699 0.157 69.435 46.788 1.00 0.00 H
+ATOM 36 N ASN A 700 -0.221 64.743 44.930 1.00 37.16 N
+ATOM 37 H ASN A 700 0.136 64.033 45.600 1.00 0.00 H
+ATOM 38 CA ASN A 700 -0.687 64.342 43.633 1.00 34.75 C
+ATOM 39 HA ASN A 700 -0.480 65.149 42.930 1.00 0.00 H
+ATOM 40 C ASN A 700 -2.212 64.197 43.534 1.00 35.51 C
+ATOM 41 O ASN A 700 -2.837 63.198 43.893 1.00 35.67 O
+ATOM 42 CB ASN A 700 0.083 63.120 43.185 1.00 32.77 C
+ATOM 43 HB1 ASN A 700 1.150 63.339 43.235 1.00 0.00 H
+ATOM 44 HB2 ASN A 700 -0.149 62.293 43.856 1.00 0.00 H
+ATOM 45 CG ASN A 700 -0.249 62.732 41.839 1.00 29.17 C
+ATOM 46 OD1 ASN A 700 -1.165 63.294 41.216 1.00 26.74 O
+ATOM 47 ND2 ASN A 700 0.443 61.723 41.354 1.00 26.64 N
+ATOM 48 1HD2 ASN A 700 0.233 61.358 40.403 1.00 0.00 H
+ATOM 49 2HD2 ASN A 700 1.200 61.291 41.922 1.00 0.00 H
+ATOM 50 N GLN A 701 -2.825 65.216 42.994 1.00 36.95 N
+ATOM 51 H GLN A 701 -2.279 66.030 42.646 1.00 0.00 H
+ATOM 52 CA GLN A 701 -4.246 65.206 42.885 1.00 37.29 C
+ATOM 53 HA GLN A 701 -4.598 64.432 43.566 1.00 0.00 H
+ATOM 54 C GLN A 701 -4.807 64.775 41.542 1.00 36.31 C
+ATOM 55 O GLN A 701 -5.980 65.040 41.266 1.00 38.21 O
+ATOM 56 CB GLN A 701 -4.765 66.575 43.274 1.00 37.19 C
+ATOM 57 HB1 GLN A 701 -4.098 67.341 42.878 1.00 0.00 H
+ATOM 58 HB2 GLN A 701 -5.763 66.715 42.859 1.00 0.00 H
+ATOM 59 CG GLN A 701 -4.825 66.690 44.756 1.00 41.98 C
+ATOM 60 HG1 GLN A 701 -5.317 65.802 45.152 1.00 0.00 H
+ATOM 61 HG2 GLN A 701 -3.806 66.741 45.140 1.00 0.00 H
+ATOM 62 CD GLN A 701 -5.592 67.929 45.242 1.00 44.96 C
+ATOM 63 OE1 GLN A 701 -4.984 68.989 45.320 1.00 46.20 O
+ATOM 64 NE2 GLN A 701 -6.912 67.784 45.607 1.00 43.73 N
+ATOM 65 1HE2 GLN A 701 -7.444 68.600 45.971 1.00 0.00 H
+ATOM 66 2HE2 GLN A 701 -7.377 66.858 45.519 1.00 0.00 H
+ATOM 67 N ALA A 702 -4.028 64.098 40.715 1.00 34.33 N
+ATOM 68 H ALA A 702 -3.009 64.000 40.901 1.00 0.00 H
+ATOM 69 CA ALA A 702 -4.643 63.485 39.522 1.00 32.81 C
+ATOM 70 HA ALA A 702 -4.948 64.289 38.852 1.00 0.00 H
+ATOM 71 C ALA A 702 -5.901 62.662 39.913 1.00 33.25 C
+ATOM 72 O ALA A 702 -6.021 62.111 41.042 1.00 31.89 O
+ATOM 73 CB ALA A 702 -3.648 62.604 38.794 1.00 31.22 C
+ATOM 74 HB1 ALA A 702 -2.795 63.205 38.480 1.00 0.00 H
+ATOM 75 HB2 ALA A 702 -3.310 61.811 39.462 1.00 0.00 H
+ATOM 76 HB3 ALA A 702 -4.126 62.164 37.919 1.00 0.00 H
+ATOM 77 N LEU A 703 -6.829 62.596 38.977 1.00 32.65 N
+ATOM 78 H LEU A 703 -6.737 63.182 38.123 1.00 0.00 H
+ATOM 79 CA LEU A 703 -7.947 61.740 39.118 1.00 33.66 C
+ATOM 80 HA LEU A 703 -8.099 61.554 40.181 1.00 0.00 H
+ATOM 81 C LEU A 703 -7.717 60.398 38.451 1.00 34.05 C
+ATOM 82 O LEU A 703 -7.114 60.327 37.390 1.00 34.00 O
+ATOM 83 CB LEU A 703 -9.165 62.405 38.536 1.00 34.06 C
+ATOM 84 HB1 LEU A 703 -8.997 62.588 37.475 1.00 0.00 H
+ATOM 85 HB2 LEU A 703 -10.023 61.744 38.658 1.00 0.00 H
+ATOM 86 CG LEU A 703 -9.456 63.733 39.231 1.00 38.73 C
+ATOM 87 HG LEU A 703 -8.643 64.430 39.027 1.00 0.00 H
+ATOM 88 CD1 LEU A 703 -10.779 64.324 38.652 1.00 36.43 C
+ATOM 89 1HD1 LEU A 703 -10.665 64.485 37.580 1.00 0.00 H
+ATOM 90 2HD1 LEU A 703 -11.596 63.626 38.831 1.00 0.00 H
+ATOM 91 3HD1 LEU A 703 -10.996 65.273 39.142 1.00 0.00 H
+ATOM 92 CD2 LEU A 703 -9.484 63.593 40.817 1.00 37.95 C
+ATOM 93 1HD2 LEU A 703 -10.261 62.884 41.104 1.00 0.00 H
+ATOM 94 2HD2 LEU A 703 -8.516 63.234 41.166 1.00 0.00 H
+ATOM 95 3HD2 LEU A 703 -9.695 64.565 41.263 1.00 0.00 H
+ATOM 96 N LEU A 704 -8.136 59.295 39.071 1.00 34.16 N
+ATOM 97 H LEU A 704 -8.495 59.319 40.047 1.00 0.00 H
+ATOM 98 CA LEU A 704 -8.066 58.060 38.316 1.00 34.00 C
+ATOM 99 HA LEU A 704 -7.482 58.191 37.405 1.00 0.00 H
+ATOM 100 C LEU A 704 -9.477 57.671 37.961 1.00 34.39 C
+ATOM 101 O LEU A 704 -10.289 57.573 38.821 1.00 35.80 O
+ATOM 102 CB LEU A 704 -7.377 57.003 39.103 1.00 33.14 C
+ATOM 103 HB1 LEU A 704 -6.362 57.346 39.301 1.00 0.00 H
+ATOM 104 HB2 LEU A 704 -7.911 56.891 40.046 1.00 0.00 H
+ATOM 105 CG LEU A 704 -7.282 55.619 38.456 1.00 36.70 C
+ATOM 106 HG LEU A 704 -8.250 55.408 38.002 1.00 0.00 H
+ATOM 107 CD1 LEU A 704 -6.238 55.578 37.343 1.00 34.64 C
+ATOM 108 1HD1 LEU A 704 -6.505 56.298 36.570 1.00 0.00 H
+ATOM 109 2HD1 LEU A 704 -5.260 55.830 37.754 1.00 0.00 H
+ATOM 110 3HD1 LEU A 704 -6.206 54.577 36.913 1.00 0.00 H
+ATOM 111 CD2 LEU A 704 -6.990 54.559 39.498 1.00 37.45 C
+ATOM 112 1HD2 LEU A 704 -6.043 54.785 39.989 1.00 0.00 H
+ATOM 113 2HD2 LEU A 704 -7.790 54.548 40.238 1.00 0.00 H
+ATOM 114 3HD2 LEU A 704 -6.927 53.584 39.015 1.00 0.00 H
+ATOM 115 N ARG A 705 -9.775 57.468 36.693 1.00 34.54 N
+ATOM 116 H ARG A 705 -9.014 57.488 35.984 1.00 0.00 H
+ATOM 117 CA ARG A 705 -11.117 57.221 36.268 1.00 34.41 C
+ATOM 118 HA ARG A 705 -11.842 57.564 37.006 1.00 0.00 H
+ATOM 119 C ARG A 705 -11.297 55.716 36.085 1.00 34.50 C
+ATOM 120 O ARG A 705 -10.414 55.015 35.521 1.00 33.71 O
+ATOM 121 CB ARG A 705 -11.359 57.979 34.978 1.00 35.51 C
+ATOM 122 HB1 ARG A 705 -11.049 59.014 35.119 1.00 0.00 H
+ATOM 123 HB2 ARG A 705 -10.758 57.525 34.190 1.00 0.00 H
+ATOM 124 CG ARG A 705 -12.791 57.964 34.554 1.00 42.18 C
+ATOM 125 HG1 ARG A 705 -12.971 57.060 33.972 1.00 0.00 H
+ATOM 126 HG2 ARG A 705 -13.417 57.951 35.446 1.00 0.00 H
+ATOM 127 CD ARG A 705 -13.177 59.176 33.705 1.00 51.83 C
+ATOM 128 HD1 ARG A 705 -12.451 59.320 32.905 1.00 0.00 H
+ATOM 129 HD2 ARG A 705 -13.215 60.072 34.325 1.00 0.00 H
+ATOM 130 NE ARG A 705 -14.508 58.894 33.138 1.00 57.60 N
+ATOM 131 HE ARG A 705 -14.873 57.926 33.242 1.00 0.00 H
+ATOM 132 CZ ARG A 705 -15.287 59.773 32.502 1.00 59.56 C
+ATOM 133 NH1 ARG A 705 -14.905 61.048 32.307 1.00 61.19 N
+ATOM 134 1HH1 ARG A 705 -13.981 61.373 32.655 1.00 0.00 H
+ATOM 135 2HH1 ARG A 705 -15.534 61.709 31.808 1.00 0.00 H
+ATOM 136 NH2 ARG A 705 -16.460 59.359 32.057 1.00 57.99 N
+ATOM 137 1HH2 ARG A 705 -16.754 58.373 32.206 1.00 0.00 H
+ATOM 138 2HH2 ARG A 705 -17.089 60.019 31.558 1.00 0.00 H
+ATOM 139 N ILE A 706 -12.393 55.197 36.637 1.00 35.29 N
+ATOM 140 H ILE A 706 -13.026 55.819 37.180 1.00 0.00 H
+ATOM 141 CA ILE A 706 -12.733 53.787 36.505 1.00 37.25 C
+ATOM 142 HA ILE A 706 -11.843 53.241 36.193 1.00 0.00 H
+ATOM 143 C ILE A 706 -13.842 53.683 35.476 1.00 38.84 C
+ATOM 144 O ILE A 706 -14.898 54.311 35.641 1.00 40.88 O
+ATOM 145 CB ILE A 706 -13.179 53.129 37.856 1.00 37.92 C
+ATOM 146 HB ILE A 706 -14.173 53.529 38.056 1.00 0.00 H
+ATOM 147 CG1 ILE A 706 -12.225 53.478 39.006 1.00 36.38 C
+ATOM 148 1HG1 ILE A 706 -12.024 54.548 38.958 1.00 0.00 H
+ATOM 149 2HG1 ILE A 706 -12.734 53.247 39.942 1.00 0.00 H
+ATOM 150 CG2 ILE A 706 -13.236 51.580 37.759 1.00 35.05 C
+ATOM 151 1HG2 ILE A 706 -13.950 51.292 36.988 1.00 0.00 H
+ATOM 152 2HG2 ILE A 706 -12.248 51.197 37.503 1.00 0.00 H
+ATOM 153 3HG2 ILE A 706 -13.550 51.168 38.718 1.00 0.00 H
+ATOM 154 CD1 ILE A 706 -10.930 52.777 39.014 1.00 32.33 C
+ATOM 155 1HD1 ILE A 706 -11.100 51.702 39.080 1.00 0.00 H
+ATOM 156 2HD1 ILE A 706 -10.389 53.005 38.095 1.00 0.00 H
+ATOM 157 3HD1 ILE A 706 -10.345 53.107 39.872 1.00 0.00 H
+ATOM 158 N LEU A 707 -13.616 52.948 34.400 1.00 39.31 N
+ATOM 159 H LEU A 707 -12.701 52.465 34.290 1.00 0.00 H
+ATOM 160 CA LEU A 707 -14.640 52.806 33.360 1.00 41.35 C
+ATOM 161 HA LEU A 707 -15.351 53.617 33.515 1.00 0.00 H
+ATOM 162 C LEU A 707 -15.436 51.494 33.454 1.00 42.23 C
+ATOM 163 O LEU A 707 -14.891 50.431 33.834 1.00 42.06 O
+ATOM 164 CB LEU A 707 -13.992 52.904 31.987 1.00 41.57 C
+ATOM 165 HB1 LEU A 707 -13.464 51.974 31.774 1.00 0.00 H
+ATOM 166 HB2 LEU A 707 -14.767 53.060 31.237 1.00 0.00 H
+ATOM 167 CG LEU A 707 -13.004 54.062 31.931 1.00 43.27 C
+ATOM 168 HG LEU A 707 -12.266 53.999 32.731 1.00 0.00 H
+ATOM 169 CD1 LEU A 707 -12.304 54.015 30.639 1.00 46.67 C
+ATOM 170 1HD1 LEU A 707 -11.773 53.067 30.549 1.00 0.00 H
+ATOM 171 2HD1 LEU A 707 -13.030 54.105 29.831 1.00 0.00 H
+ATOM 172 3HD1 LEU A 707 -11.592 54.838 30.583 1.00 0.00 H
+ATOM 173 CD2 LEU A 707 -13.785 55.350 32.076 1.00 42.53 C
+ATOM 174 1HD2 LEU A 707 -14.506 55.430 31.262 1.00 0.00 H
+ATOM 175 2HD2 LEU A 707 -14.311 55.349 33.031 1.00 0.00 H
+ATOM 176 3HD2 LEU A 707 -13.098 56.196 32.039 1.00 0.00 H
+ATOM 177 N LYS A 708 -16.714 51.610 33.103 1.00 43.53 N
+ATOM 178 H LYS A 708 -17.066 52.564 32.886 1.00 0.00 H
+ATOM 179 CA LYS A 708 -17.653 50.516 32.999 1.00 45.07 C
+ATOM 180 HA LYS A 708 -17.606 49.867 33.874 1.00 0.00 H
+ATOM 181 C LYS A 708 -17.327 49.786 31.725 1.00 44.98 C
+ATOM 182 O LYS A 708 -17.177 50.412 30.703 1.00 45.80 O
+ATOM 183 CB LYS A 708 -19.041 51.107 32.824 1.00 46.42 C
+ATOM 184 HB1 LYS A 708 -18.932 52.185 32.705 1.00 0.00 H
+ATOM 185 HB2 LYS A 708 -19.472 50.684 31.917 1.00 0.00 H
+ATOM 186 CG LYS A 708 -19.994 50.866 33.935 1.00 51.23 C
+ATOM 187 HG1 LYS A 708 -19.729 49.943 34.451 1.00 0.00 H
+ATOM 188 HG2 LYS A 708 -19.955 51.698 34.638 1.00 0.00 H
+ATOM 189 CD LYS A 708 -21.419 50.745 33.354 1.00 58.16 C
+ATOM 190 HD1 LYS A 708 -21.354 50.431 32.312 1.00 0.00 H
+ATOM 191 HD2 LYS A 708 -21.974 49.999 33.923 1.00 0.00 H
+ATOM 192 CE LYS A 708 -22.165 52.096 33.429 1.00 62.48 C
+ATOM 193 HE1 LYS A 708 -23.091 52.010 32.860 1.00 0.00 H
+ATOM 194 HE2 LYS A 708 -21.534 52.863 32.979 1.00 0.00 H
+ATOM 195 NZ LYS A 708 -22.514 52.533 34.856 1.00 62.16 N
+ATOM 196 HZ1 LYS A 708 -23.126 51.817 35.296 1.00 0.00 H
+ATOM 197 HZ2 LYS A 708 -21.640 52.632 35.411 1.00 0.00 H
+ATOM 198 HZ3 LYS A 708 -23.012 53.446 34.826 1.00 0.00 H
+ATOM 199 N GLU A 709 -17.234 48.465 31.774 1.00 46.14 N
+ATOM 200 H GLU A 709 -17.370 47.997 32.693 1.00 0.00 H
+ATOM 201 CA GLU A 709 -16.952 47.632 30.613 1.00 47.63 C
+ATOM 202 HA GLU A 709 -15.969 47.949 30.264 1.00 0.00 H
+ATOM 203 C GLU A 709 -17.931 47.799 29.424 1.00 47.20 C
+ATOM 204 O GLU A 709 -17.598 47.541 28.266 1.00 46.83 O
+ATOM 205 CB GLU A 709 -17.015 46.176 31.035 1.00 48.27 C
+ATOM 206 HB1 GLU A 709 -16.431 46.042 31.946 1.00 0.00 H
+ATOM 207 HB2 GLU A 709 -18.053 45.904 31.227 1.00 0.00 H
+ATOM 208 CG GLU A 709 -16.454 45.268 29.943 1.00 55.19 C
+ATOM 209 HG1 GLU A 709 -17.127 45.303 29.086 1.00 0.00 H
+ATOM 210 HG2 GLU A 709 -15.474 45.646 29.650 1.00 0.00 H
+ATOM 211 CD GLU A 709 -16.300 43.807 30.380 1.00 65.09 C
+ATOM 212 OE1 GLU A 709 -15.205 43.211 30.046 1.00 67.27 O
+ATOM 213 OE2 GLU A 709 -17.256 43.270 31.058 1.00 65.28 O
+ATOM 214 N THR A 710 -19.148 48.191 29.736 1.00 46.67 N
+ATOM 215 H THR A 710 -19.380 48.403 30.727 1.00 0.00 H
+ATOM 216 CA THR A 710 -20.153 48.329 28.734 1.00 47.35 C
+ATOM 217 HA THR A 710 -20.006 47.520 28.018 1.00 0.00 H
+ATOM 218 C THR A 710 -20.022 49.666 28.017 1.00 47.71 C
+ATOM 219 O THR A 710 -20.732 49.913 27.041 1.00 48.33 O
+ATOM 220 CB THR A 710 -21.593 48.202 29.342 1.00 47.12 C
+ATOM 221 HB THR A 710 -22.293 48.084 28.515 1.00 0.00 H
+ATOM 222 OG1 THR A 710 -21.945 49.382 30.081 1.00 47.59 O
+ATOM 223 HG1 THR A 710 -22.856 49.277 30.454 1.00 0.00 H
+ATOM 224 CG2 THR A 710 -21.681 47.013 30.231 1.00 45.95 C
+ATOM 225 1HG2 THR A 710 -20.994 47.135 31.068 1.00 0.00 H
+ATOM 226 2HG2 THR A 710 -22.700 46.916 30.606 1.00 0.00 H
+ATOM 227 3HG2 THR A 710 -21.413 46.119 29.668 1.00 0.00 H
+ATOM 228 N GLU A 711 -19.156 50.542 28.525 1.00 47.02 N
+ATOM 229 H GLU A 711 -18.634 50.301 29.392 1.00 0.00 H
+ATOM 230 CA GLU A 711 -18.930 51.818 27.893 1.00 46.25 C
+ATOM 231 HA GLU A 711 -19.889 52.178 27.522 1.00 0.00 H
+ATOM 232 C GLU A 711 -17.946 51.694 26.743 1.00 44.97 C
+ATOM 233 O GLU A 711 -17.650 52.653 26.124 1.00 46.13 O
+ATOM 234 CB GLU A 711 -18.328 52.770 28.893 1.00 46.82 C
+ATOM 235 HB1 GLU A 711 -17.618 52.207 29.499 1.00 0.00 H
+ATOM 236 HB2 GLU A 711 -17.797 53.541 28.336 1.00 0.00 H
+ATOM 237 CG GLU A 711 -19.267 53.451 29.819 1.00 50.73 C
+ATOM 238 HG1 GLU A 711 -20.041 53.963 29.248 1.00 0.00 H
+ATOM 239 HG2 GLU A 711 -19.730 52.718 30.480 1.00 0.00 H
+ATOM 240 CD GLU A 711 -18.473 54.473 30.651 1.00 57.99 C
+ATOM 241 OE1 GLU A 711 -17.408 54.115 31.258 1.00 55.48 O
+ATOM 242 OE2 GLU A 711 -18.916 55.648 30.669 1.00 61.98 O
+ATOM 243 N PHE A 712 -17.389 50.535 26.473 1.00 44.67 N
+ATOM 244 H PHE A 712 -17.628 49.695 27.038 1.00 0.00 H
+ATOM 245 CA PHE A 712 -16.446 50.436 25.391 1.00 44.89 C
+ATOM 246 HA PHE A 712 -16.780 51.193 24.681 1.00 0.00 H
+ATOM 247 C PHE A 712 -16.501 49.153 24.575 1.00 46.15 C
+ATOM 248 O PHE A 712 -16.711 48.117 25.102 1.00 47.74 O
+ATOM 249 CB PHE A 712 -14.992 50.810 25.840 1.00 45.17 C
+ATOM 250 HB1 PHE A 712 -14.329 50.671 24.986 1.00 0.00 H
+ATOM 251 HB2 PHE A 712 -14.989 51.860 26.133 1.00 0.00 H
+ATOM 252 CG PHE A 712 -14.451 50.006 26.985 1.00 39.61 C
+ATOM 253 CD1 PHE A 712 -13.813 48.795 26.753 1.00 36.97 C
+ATOM 254 HD1 PHE A 712 -13.738 48.414 25.734 1.00 0.00 H
+ATOM 255 CD2 PHE A 712 -14.573 50.475 28.287 1.00 33.78 C
+ATOM 256 HD2 PHE A 712 -15.072 51.426 28.472 1.00 0.00 H
+ATOM 257 CE1 PHE A 712 -13.250 48.035 27.837 1.00 37.95 C
+ATOM 258 HE1 PHE A 712 -12.726 47.100 27.640 1.00 0.00 H
+ATOM 259 CE2 PHE A 712 -14.066 49.745 29.360 1.00 37.25 C
+ATOM 260 HE2 PHE A 712 -14.192 50.120 30.376 1.00 0.00 H
+ATOM 261 CZ PHE A 712 -13.381 48.507 29.142 1.00 36.69 C
+ATOM 262 HZ PHE A 712 -12.970 47.944 29.980 1.00 0.00 H
+ATOM 263 N LYS A 713 -16.338 49.271 23.266 1.00 48.43 N
+ATOM 264 H LYS A 713 -16.131 50.223 22.902 1.00 0.00 H
+ATOM 265 CA LYS A 713 -16.420 48.197 22.287 1.00 49.95 C
+ATOM 266 HA LYS A 713 -16.808 47.273 22.716 1.00 0.00 H
+ATOM 267 C LYS A 713 -14.974 47.943 21.757 1.00 51.67 C
+ATOM 268 O LYS A 713 -14.277 48.887 21.354 1.00 52.64 O
+ATOM 269 CB LYS A 713 -17.384 48.631 21.157 1.00 49.44 C
+ATOM 270 HB1 LYS A 713 -18.370 48.826 21.578 1.00 0.00 H
+ATOM 271 HB2 LYS A 713 -17.003 49.536 20.684 1.00 0.00 H
+ATOM 272 N LYS A 714 -14.483 46.706 21.823 1.00 52.52 N
+ATOM 273 H LYS A 714 -15.018 45.972 22.330 1.00 0.00 H
+ATOM 274 CA LYS A 714 -13.220 46.363 21.204 1.00 53.82 C
+ATOM 275 HA LYS A 714 -12.512 47.179 21.350 1.00 0.00 H
+ATOM 276 C LYS A 714 -13.476 46.116 19.714 1.00 54.59 C
+ATOM 277 O LYS A 714 -14.482 45.534 19.344 1.00 55.18 O
+ATOM 278 CB LYS A 714 -12.630 45.117 21.826 1.00 53.99 C
+ATOM 279 HB1 LYS A 714 -13.244 44.263 21.539 1.00 0.00 H
+ATOM 280 HB2 LYS A 714 -11.620 44.983 21.439 1.00 0.00 H
+ATOM 281 CG LYS A 714 -12.562 45.172 23.331 1.00 57.59 C
+ATOM 282 HG1 LYS A 714 -11.804 45.898 23.625 1.00 0.00 H
+ATOM 283 HG2 LYS A 714 -13.532 45.484 23.718 1.00 0.00 H
+ATOM 284 CD LYS A 714 -12.202 43.803 23.929 1.00 63.94 C
+ATOM 285 HD1 LYS A 714 -13.085 43.166 23.889 1.00 0.00 H
+ATOM 286 HD2 LYS A 714 -11.409 43.360 23.326 1.00 0.00 H
+ATOM 287 CE LYS A 714 -11.713 43.880 25.411 1.00 65.32 C
+ATOM 288 HE1 LYS A 714 -11.184 44.820 25.565 1.00 0.00 H
+ATOM 289 HE2 LYS A 714 -11.037 43.048 25.608 1.00 0.00 H
+ATOM 290 NZ LYS A 714 -12.884 43.807 26.368 1.00 67.77 N
+ATOM 291 HZ1 LYS A 714 -13.529 44.602 26.186 1.00 0.00 H
+ATOM 292 HZ2 LYS A 714 -13.390 42.909 26.227 1.00 0.00 H
+ATOM 293 HZ3 LYS A 714 -12.535 43.860 27.346 1.00 0.00 H
+ATOM 294 N ILE A 715 -12.576 46.561 18.852 1.00 54.41 N
+ATOM 295 H ILE A 715 -11.675 46.953 19.193 1.00 0.00 H
+ATOM 296 CA ILE A 715 -12.848 46.500 17.449 1.00 54.01 C
+ATOM 297 HA ILE A 715 -13.886 46.177 17.368 1.00 0.00 H
+ATOM 298 C ILE A 715 -12.022 45.446 16.711 1.00 54.22 C
+ATOM 299 O ILE A 715 -12.588 44.683 15.931 1.00 54.29 O
+ATOM 300 CB ILE A 715 -12.734 47.869 16.785 1.00 54.25 C
+ATOM 301 HB ILE A 715 -11.766 48.293 17.053 1.00 0.00 H
+ATOM 302 CG1 ILE A 715 -13.836 48.833 17.295 1.00 53.38 C
+ATOM 303 1HG1 ILE A 715 -13.515 49.213 18.265 1.00 0.00 H
+ATOM 304 2HG1 ILE A 715 -13.902 49.658 16.586 1.00 0.00 H
+ATOM 305 CG2 ILE A 715 -12.807 47.732 15.273 1.00 54.14 C
+ATOM 306 1HG2 ILE A 715 -11.989 47.100 14.927 1.00 0.00 H
+ATOM 307 2HG2 ILE A 715 -13.760 47.281 14.996 1.00 0.00 H
+ATOM 308 3HG2 ILE A 715 -12.724 48.718 14.816 1.00 0.00 H
+ATOM 309 CD1 ILE A 715 -15.248 48.263 17.470 1.00 53.19 C
+ATOM 310 1HD1 ILE A 715 -15.610 47.891 16.511 1.00 0.00 H
+ATOM 311 2HD1 ILE A 715 -15.222 47.446 18.191 1.00 0.00 H
+ATOM 312 3HD1 ILE A 715 -15.913 49.047 17.831 1.00 0.00 H
+ATOM 313 N LYS A 716 -10.728 45.382 16.984 1.00 53.62 N
+ATOM 314 H LYS A 716 -10.358 45.956 17.768 1.00 0.00 H
+ATOM 315 CA LYS A 716 -9.814 44.558 16.249 1.00 54.12 C
+ATOM 316 HA LYS A 716 -10.252 43.628 15.886 1.00 0.00 H
+ATOM 317 C LYS A 716 -8.724 44.431 17.231 1.00 55.16 C
+ATOM 318 O LYS A 716 -8.622 45.262 18.124 1.00 56.87 O
+ATOM 319 CB LYS A 716 -9.265 45.306 15.013 1.00 54.34 C
+ATOM 320 HB1 LYS A 716 -10.093 45.581 14.359 1.00 0.00 H
+ATOM 321 HB2 LYS A 716 -8.742 46.206 15.337 1.00 0.00 H
+ATOM 322 N VAL A 717 -7.885 43.421 17.064 1.00 55.80 N
+ATOM 323 H VAL A 717 -8.060 42.763 16.278 1.00 0.00 H
+ATOM 324 CA VAL A 717 -6.727 43.178 17.921 1.00 56.20 C
+ATOM 325 HA VAL A 717 -6.957 43.523 18.929 1.00 0.00 H
+ATOM 326 C VAL A 717 -5.546 43.892 17.330 1.00 57.23 C
+ATOM 327 O VAL A 717 -5.332 43.818 16.139 1.00 56.80 O
+ATOM 328 CB VAL A 717 -6.370 41.648 17.935 1.00 55.87 C
+ATOM 329 HB VAL A 717 -6.319 41.313 16.899 1.00 0.00 H
+ATOM 330 CG1 VAL A 717 -4.943 41.357 18.539 1.00 53.93 C
+ATOM 331 1HG1 VAL A 717 -4.187 41.870 17.945 1.00 0.00 H
+ATOM 332 2HG1 VAL A 717 -4.905 41.717 19.567 1.00 0.00 H
+ATOM 333 3HG1 VAL A 717 -4.754 40.284 18.521 1.00 0.00 H
+ATOM 334 CG2 VAL A 717 -7.462 40.861 18.639 1.00 54.94 C
+ATOM 335 1HG2 VAL A 717 -7.559 41.215 19.665 1.00 0.00 H
+ATOM 336 2HG2 VAL A 717 -8.407 41.003 18.114 1.00 0.00 H
+ATOM 337 3HG2 VAL A 717 -7.201 39.803 18.641 1.00 0.00 H
+ATOM 338 N LEU A 718 -4.734 44.511 18.167 1.00 59.01 N
+ATOM 339 H LEU A 718 -4.966 44.547 19.180 1.00 0.00 H
+ATOM 340 CA LEU A 718 -3.518 45.142 17.683 1.00 60.06 C
+ATOM 341 HA LEU A 718 -3.592 45.153 16.596 1.00 0.00 H
+ATOM 342 C LEU A 718 -2.270 44.372 18.040 1.00 61.62 C
+ATOM 343 O LEU A 718 -1.256 44.531 17.381 1.00 62.69 O
+ATOM 344 CB LEU A 718 -3.407 46.577 18.216 1.00 59.57 C
+ATOM 345 HB1 LEU A 718 -3.494 46.541 19.302 1.00 0.00 H
+ATOM 346 HB2 LEU A 718 -2.424 46.962 17.944 1.00 0.00 H
+ATOM 347 CG LEU A 718 -4.464 47.557 17.687 1.00 57.93 C
+ATOM 348 HG LEU A 718 -5.425 47.042 17.684 1.00 0.00 H
+ATOM 349 CD1 LEU A 718 -4.578 48.763 18.542 1.00 56.98 C
+ATOM 350 1HD1 LEU A 718 -4.862 48.466 19.551 1.00 0.00 H
+ATOM 351 2HD1 LEU A 718 -3.618 49.279 18.571 1.00 0.00 H
+ATOM 352 3HD1 LEU A 718 -5.337 49.428 18.130 1.00 0.00 H
+ATOM 353 CD2 LEU A 718 -4.081 47.984 16.352 1.00 57.05 C
+ATOM 354 1HD2 LEU A 718 -3.109 48.476 16.394 1.00 0.00 H
+ATOM 355 2HD2 LEU A 718 -4.022 47.115 15.697 1.00 0.00 H
+ATOM 356 3HD2 LEU A 718 -4.826 48.681 15.967 1.00 0.00 H
+ATOM 357 N SER A 719 -2.291 43.580 19.102 1.00 63.33 N
+ATOM 358 H SER A 719 -3.185 43.408 19.605 1.00 0.00 H
+ATOM 359 CA SER A 719 -1.047 42.943 19.570 1.00 65.00 C
+ATOM 360 HA SER A 719 -0.492 42.617 18.690 1.00 0.00 H
+ATOM 361 C SER A 719 -1.385 41.796 20.448 1.00 66.11 C
+ATOM 362 O SER A 719 -2.555 41.705 20.854 1.00 67.14 O
+ATOM 363 CB SER A 719 -0.187 43.901 20.355 1.00 64.63 C
+ATOM 364 HB1 SER A 719 0.530 43.342 20.957 1.00 0.00 H
+ATOM 365 HB2 SER A 719 -0.815 44.506 21.009 1.00 0.00 H
+ATOM 366 OG SER A 719 0.502 44.738 19.448 1.00 68.87 O
+ATOM 367 HG SER A 719 -0.153 45.242 18.903 1.00 0.00 H
+ATOM 368 N SER A 720 -0.382 40.930 20.737 1.00 66.84 N
+ATOM 369 H SER A 720 0.564 41.130 20.355 1.00 0.00 H
+ATOM 370 CA SER A 720 -0.559 39.717 21.566 1.00 66.10 C
+ATOM 371 HA SER A 720 -1.098 40.087 22.438 1.00 0.00 H
+ATOM 372 C SER A 720 0.701 39.077 22.131 1.00 66.87 C
+ATOM 373 O SER A 720 0.618 38.359 23.158 1.00 68.38 O
+ATOM 374 CB SER A 720 -1.348 38.672 20.811 1.00 65.63 C
+ATOM 375 HB1 SER A 720 -0.771 37.750 20.741 1.00 0.00 H
+ATOM 376 HB2 SER A 720 -1.578 39.033 19.808 1.00 0.00 H
+ATOM 377 OG SER A 720 -2.538 38.438 21.519 1.00 64.50 O
+ATOM 378 HG SER A 720 -3.054 39.280 21.582 1.00 0.00 H
+ATOM 379 N GLY A 724 0.137 41.261 25.944 1.00 66.75 N
+ATOM 380 HN1 GLY A 724 1.053 41.076 26.399 1.00 0.00 H
+ATOM 381 HN2 GLY A 724 0.258 41.276 24.911 1.00 0.00 H
+ATOM 382 HN3 GLY A 724 -0.231 42.179 26.264 1.00 0.00 H
+ATOM 383 CA GLY A 724 -0.819 40.193 26.311 1.00 67.08 C
+ATOM 384 HA1 GLY A 724 -0.412 39.238 25.979 1.00 0.00 H
+ATOM 385 HA2 GLY A 724 -0.925 40.184 27.396 1.00 0.00 H
+ATOM 386 C GLY A 724 -2.215 40.368 25.689 1.00 65.96 C
+ATOM 387 O GLY A 724 -3.158 39.724 26.122 1.00 66.54 O
+ATOM 388 N THR A 725 -2.341 41.270 24.705 1.00 64.83 N
+ATOM 389 H THR A 725 -1.492 41.820 24.463 1.00 0.00 H
+ATOM 390 CA THR A 725 -3.579 41.563 23.922 1.00 62.06 C
+ATOM 391 HA THR A 725 -3.243 41.415 22.896 1.00 0.00 H
+ATOM 392 C THR A 725 -4.080 43.016 24.046 1.00 59.72 C
+ATOM 393 O THR A 725 -4.792 43.349 24.990 1.00 60.04 O
+ATOM 394 CB THR A 725 -4.752 40.576 24.176 1.00 62.48 C
+ATOM 395 HB THR A 725 -4.379 39.554 24.103 1.00 0.00 H
+ATOM 396 OG1 THR A 725 -5.793 40.753 23.171 1.00 61.98 O
+ATOM 397 HG1 THR A 725 -6.532 40.118 23.347 1.00 0.00 H
+ATOM 398 CG2 THR A 725 -5.314 40.797 25.571 1.00 63.84 C
+ATOM 399 1HG2 THR A 725 -5.710 41.810 25.646 1.00 0.00 H
+ATOM 400 2HG2 THR A 725 -6.112 40.079 25.758 1.00 0.00 H
+ATOM 401 3HG2 THR A 725 -4.521 40.660 26.307 1.00 0.00 H
+ATOM 402 N VAL A 726 -3.738 43.855 23.065 1.00 56.58 N
+ATOM 403 H VAL A 726 -3.065 43.513 22.350 1.00 0.00 H
+ATOM 404 CA VAL A 726 -4.245 45.229 22.923 1.00 52.40 C
+ATOM 405 HA VAL A 726 -4.700 45.523 23.869 1.00 0.00 H
+ATOM 406 C VAL A 726 -5.295 45.300 21.807 1.00 51.11 C
+ATOM 407 O VAL A 726 -5.077 44.796 20.711 1.00 50.94 O
+ATOM 408 CB VAL A 726 -3.080 46.194 22.578 1.00 52.96 C
+ATOM 409 HB VAL A 726 -2.707 45.923 21.590 1.00 0.00 H
+ATOM 410 CG1 VAL A 726 -3.574 47.632 22.530 1.00 51.01 C
+ATOM 411 1HG1 VAL A 726 -4.348 47.724 21.768 1.00 0.00 H
+ATOM 412 2HG1 VAL A 726 -3.985 47.906 23.502 1.00 0.00 H
+ATOM 413 3HG1 VAL A 726 -2.742 48.293 22.287 1.00 0.00 H
+ATOM 414 CG2 VAL A 726 -1.905 46.047 23.569 1.00 48.60 C
+ATOM 415 1HG2 VAL A 726 -2.251 46.273 24.577 1.00 0.00 H
+ATOM 416 2HG2 VAL A 726 -1.527 45.025 23.534 1.00 0.00 H
+ATOM 417 3HG2 VAL A 726 -1.110 46.740 23.293 1.00 0.00 H
+ATOM 418 N TYR A 727 -6.420 45.939 22.063 1.00 49.03 N
+ATOM 419 H TYR A 727 -6.606 46.283 23.027 1.00 0.00 H
+ATOM 420 CA TYR A 727 -7.394 46.167 21.027 1.00 48.82 C
+ATOM 421 HA TYR A 727 -7.080 45.561 20.177 1.00 0.00 H
+ATOM 422 C TYR A 727 -7.459 47.617 20.562 1.00 47.02 C
+ATOM 423 O TYR A 727 -7.172 48.511 21.330 1.00 47.53 O
+ATOM 424 CB TYR A 727 -8.780 45.764 21.527 1.00 50.34 C
+ATOM 425 HB1 TYR A 727 -9.069 46.437 22.334 1.00 0.00 H
+ATOM 426 HB2 TYR A 727 -9.489 45.859 20.704 1.00 0.00 H
+ATOM 427 CG TYR A 727 -8.825 44.335 22.046 1.00 56.07 C
+ATOM 428 CD1 TYR A 727 -9.069 43.227 21.190 1.00 58.64 C
+ATOM 429 HD1 TYR A 727 -9.240 43.397 20.127 1.00 0.00 H
+ATOM 430 CD2 TYR A 727 -8.608 44.083 23.401 1.00 61.53 C
+ATOM 431 HD2 TYR A 727 -8.407 44.920 24.070 1.00 0.00 H
+ATOM 432 CE1 TYR A 727 -9.093 41.882 21.708 1.00 61.74 C
+ATOM 433 HE1 TYR A 727 -9.274 41.035 21.047 1.00 0.00 H
+ATOM 434 CE2 TYR A 727 -8.641 42.777 23.930 1.00 65.69 C
+ATOM 435 HE2 TYR A 727 -8.482 42.618 24.997 1.00 0.00 H
+ATOM 436 CZ TYR A 727 -8.877 41.684 23.088 1.00 65.70 C
+ATOM 437 OH TYR A 727 -8.874 40.449 23.719 1.00 66.26 O
+ATOM 438 HH TYR A 727 -7.992 40.298 24.142 1.00 0.00 H
+ATOM 439 N LYS A 728 -7.846 47.850 19.315 1.00 44.19 N
+ATOM 440 H LYS A 728 -7.819 47.071 18.627 1.00 0.00 H
+ATOM 441 CA LYS A 728 -8.303 49.147 18.881 1.00 41.77 C
+ATOM 442 HA LYS A 728 -7.774 49.993 19.320 1.00 0.00 H
+ATOM 443 C LYS A 728 -9.774 49.117 19.273 1.00 39.68 C
+ATOM 444 O LYS A 728 -10.406 48.096 19.150 1.00 40.39 O
+ATOM 445 CB LYS A 728 -8.096 49.294 17.341 1.00 42.33 C
+ATOM 446 HB1 LYS A 728 -7.181 49.867 17.188 1.00 0.00 H
+ATOM 447 HB2 LYS A 728 -7.968 48.292 16.932 1.00 0.00 H
+ATOM 448 CG LYS A 728 -9.218 49.987 16.526 1.00 44.45 C
+ATOM 449 HG1 LYS A 728 -10.066 49.304 16.475 1.00 0.00 H
+ATOM 450 HG2 LYS A 728 -9.513 50.889 17.062 1.00 0.00 H
+ATOM 451 CD LYS A 728 -8.836 50.404 15.040 1.00 49.88 C
+ATOM 452 HD1 LYS A 728 -7.841 50.850 15.038 1.00 0.00 H
+ATOM 453 HD2 LYS A 728 -8.836 49.516 14.408 1.00 0.00 H
+ATOM 454 CE LYS A 728 -9.916 51.492 14.441 1.00 53.65 C
+ATOM 455 HE1 LYS A 728 -9.741 52.425 14.977 1.00 0.00 H
+ATOM 456 HE2 LYS A 728 -10.906 51.111 14.692 1.00 0.00 H
+ATOM 457 NZ LYS A 728 -9.957 51.858 12.923 1.00 49.93 N
+ATOM 458 HZ1 LYS A 728 -9.039 52.256 12.639 1.00 0.00 H
+ATOM 459 HZ2 LYS A 728 -10.152 51.001 12.366 1.00 0.00 H
+ATOM 460 HZ3 LYS A 728 -10.707 52.559 12.757 1.00 0.00 H
+ATOM 461 N GLY A 729 -10.332 50.195 19.766 1.00 36.41 N
+ATOM 462 H GLY A 729 -9.762 51.042 19.963 1.00 0.00 H
+ATOM 463 CA GLY A 729 -11.740 50.188 20.029 1.00 33.82 C
+ATOM 464 HA1 GLY A 729 -12.249 49.714 19.190 1.00 0.00 H
+ATOM 465 HA2 GLY A 729 -11.923 49.612 20.936 1.00 0.00 H
+ATOM 466 C GLY A 729 -12.304 51.575 20.215 1.00 33.09 C
+ATOM 467 O GLY A 729 -11.635 52.570 19.977 1.00 32.84 O
+ATOM 468 N LEU A 730 -13.536 51.657 20.666 1.00 33.02 N
+ATOM 469 H LEU A 730 -14.065 50.785 20.870 1.00 0.00 H
+ATOM 470 CA LEU A 730 -14.167 52.941 20.883 1.00 33.60 C
+ATOM 471 HA LEU A 730 -13.418 53.716 20.722 1.00 0.00 H
+ATOM 472 C LEU A 730 -14.711 53.023 22.310 1.00 32.57 C
+ATOM 473 O LEU A 730 -15.209 52.053 22.821 1.00 30.25 O
+ATOM 474 CB LEU A 730 -15.333 53.141 19.906 1.00 33.87 C
+ATOM 475 HB1 LEU A 730 -15.900 52.210 19.907 1.00 0.00 H
+ATOM 476 HB2 LEU A 730 -15.949 53.940 20.319 1.00 0.00 H
+ATOM 477 CG LEU A 730 -15.089 53.494 18.454 1.00 38.34 C
+ATOM 478 HG LEU A 730 -14.349 52.812 18.036 1.00 0.00 H
+ATOM 479 CD1 LEU A 730 -16.406 53.339 17.652 1.00 40.79 C
+ATOM 480 1HD1 LEU A 730 -16.753 52.308 17.721 1.00 0.00 H
+ATOM 481 2HD1 LEU A 730 -17.162 54.006 18.065 1.00 0.00 H
+ATOM 482 3HD1 LEU A 730 -16.226 53.594 16.608 1.00 0.00 H
+ATOM 483 CD2 LEU A 730 -14.522 54.930 18.334 1.00 36.08 C
+ATOM 484 1HD2 LEU A 730 -15.236 55.637 18.756 1.00 0.00 H
+ATOM 485 2HD2 LEU A 730 -13.580 54.994 18.878 1.00 0.00 H
+ATOM 486 3HD2 LEU A 730 -14.353 55.166 17.283 1.00 0.00 H
+ATOM 487 N TRP A 731 -14.621 54.204 22.918 1.00 32.51 N
+ATOM 488 H TRP A 731 -14.171 54.994 22.412 1.00 0.00 H
+ATOM 489 CA TRP A 731 -15.115 54.427 24.228 1.00 31.96 C
+ATOM 490 HA TRP A 731 -15.487 53.507 24.679 1.00 0.00 H
+ATOM 491 C TRP A 731 -16.233 55.421 24.097 1.00 34.02 C
+ATOM 492 O TRP A 731 -16.049 56.509 23.569 1.00 33.57 O
+ATOM 493 CB TRP A 731 -13.995 54.910 25.168 1.00 31.52 C
+ATOM 494 HB1 TRP A 731 -13.271 54.106 25.296 1.00 0.00 H
+ATOM 495 HB2 TRP A 731 -13.503 55.772 24.717 1.00 0.00 H
+ATOM 496 CG TRP A 731 -14.528 55.306 26.521 1.00 31.21 C
+ATOM 497 CD1 TRP A 731 -15.489 54.647 27.229 1.00 28.17 C
+ATOM 498 HD1 TRP A 731 -15.965 53.718 26.916 1.00 0.00 H
+ATOM 499 CD2 TRP A 731 -14.170 56.450 27.291 1.00 29.06 C
+ATOM 500 NE1 TRP A 731 -15.766 55.305 28.367 1.00 30.47 N
+ATOM 501 HE1 TRP A 731 -16.481 55.018 29.066 1.00 0.00 H
+ATOM 502 CE2 TRP A 731 -14.967 56.408 28.468 1.00 30.73 C
+ATOM 503 CE3 TRP A 731 -13.229 57.471 27.131 1.00 25.81 C
+ATOM 504 HE3 TRP A 731 -12.594 57.507 26.246 1.00 0.00 H
+ATOM 505 CZ2 TRP A 731 -14.896 57.382 29.472 1.00 29.79 C
+ATOM 506 HZ2 TRP A 731 -15.539 57.353 30.352 1.00 0.00 H
+ATOM 507 CZ3 TRP A 731 -13.120 58.424 28.105 1.00 29.04 C
+ATOM 508 HZ3 TRP A 731 -12.389 59.225 27.993 1.00 0.00 H
+ATOM 509 CH2 TRP A 731 -13.958 58.387 29.280 1.00 35.44 C
+ATOM 510 HH2 TRP A 731 -13.852 59.167 30.034 1.00 0.00 H
+ATOM 511 N ILE A 732 -17.424 55.029 24.560 1.00 36.73 N
+ATOM 512 H ILE A 732 -17.492 54.120 25.061 1.00 0.00 H
+ATOM 513 CA ILE A 732 -18.627 55.826 24.389 1.00 39.21 C
+ATOM 514 HA ILE A 732 -18.506 56.759 23.838 1.00 0.00 H
+ATOM 515 C ILE A 732 -19.076 56.143 25.796 1.00 41.26 C
+ATOM 516 O ILE A 732 -19.930 55.446 26.325 1.00 43.48 O
+ATOM 517 CB ILE A 732 -19.642 54.948 23.575 1.00 39.73 C
+ATOM 518 HB ILE A 732 -19.971 54.154 24.246 1.00 0.00 H
+ATOM 519 CG1 ILE A 732 -18.946 54.342 22.333 1.00 39.83 C
+ATOM 520 1HG1 ILE A 732 -18.471 55.151 21.778 1.00 0.00 H
+ATOM 521 2HG1 ILE A 732 -18.184 53.641 22.675 1.00 0.00 H
+ATOM 522 CG2 ILE A 732 -20.910 55.721 23.142 1.00 38.98 C
+ATOM 523 1HG2 ILE A 732 -21.429 56.089 24.027 1.00 0.00 H
+ATOM 524 2HG2 ILE A 732 -20.623 56.562 22.511 1.00 0.00 H
+ATOM 525 3HG2 ILE A 732 -21.568 55.054 22.584 1.00 0.00 H
+ATOM 526 CD1 ILE A 732 -19.874 53.613 21.403 1.00 41.68 C
+ATOM 527 1HD1 ILE A 732 -20.350 52.791 21.937 1.00 0.00 H
+ATOM 528 2HD1 ILE A 732 -20.637 54.302 21.039 1.00 0.00 H
+ATOM 529 3HD1 ILE A 732 -19.306 53.220 20.560 1.00 0.00 H
+ATOM 530 N PRO A 733 -18.454 57.131 26.475 1.00 42.50 N
+ATOM 531 CA PRO A 733 -18.841 57.322 27.869 1.00 43.46 C
+ATOM 532 HA PRO A 733 -18.619 56.416 28.432 1.00 0.00 H
+ATOM 533 C PRO A 733 -20.327 57.604 28.084 1.00 46.65 C
+ATOM 534 O PRO A 733 -21.040 58.018 27.131 1.00 45.22 O
+ATOM 535 CB PRO A 733 -18.090 58.590 28.275 1.00 43.17 C
+ATOM 536 HB1 PRO A 733 -18.764 59.277 28.786 1.00 0.00 H
+ATOM 537 HB2 PRO A 733 -17.260 58.339 28.936 1.00 0.00 H
+ATOM 538 CG PRO A 733 -17.588 59.199 27.049 1.00 41.58 C
+ATOM 539 HG1 PRO A 733 -18.308 59.920 26.661 1.00 0.00 H
+ATOM 540 HG2 PRO A 733 -16.638 59.700 27.235 1.00 0.00 H
+ATOM 541 CD PRO A 733 -17.404 58.084 26.087 1.00 42.72 C
+ATOM 542 HD1 PRO A 733 -16.414 57.639 26.188 1.00 0.00 H
+ATOM 543 HD2 PRO A 733 -17.544 58.425 25.061 1.00 0.00 H
+ATOM 544 N GLU A 734 -20.737 57.412 29.366 1.00 49.83 N
+ATOM 545 H GLU A 734 -20.135 56.816 29.969 1.00 0.00 H
+ATOM 546 CA GLU A 734 -21.990 57.986 29.999 1.00 51.01 C
+ATOM 547 HA GLU A 734 -22.272 57.356 30.843 1.00 0.00 H
+ATOM 548 C GLU A 734 -23.126 57.977 28.964 1.00 51.06 C
+ATOM 549 O GLU A 734 -23.353 56.949 28.295 1.00 51.82 O
+ATOM 550 CB GLU A 734 -21.758 59.407 30.602 1.00 49.48 C
+ATOM 551 HB1 GLU A 734 -20.987 59.353 31.371 1.00 0.00 H
+ATOM 552 HB2 GLU A 734 -21.438 60.087 29.813 1.00 0.00 H
+ATOM 553 N GLY A 735 -23.798 59.108 28.823 1.00 50.14 N
+ATOM 554 H GLY A 735 -23.732 59.835 29.564 1.00 0.00 H
+ATOM 555 CA GLY A 735 -24.637 59.359 27.641 1.00 51.08 C
+ATOM 556 HA1 GLY A 735 -24.483 58.613 26.862 1.00 0.00 H
+ATOM 557 HA2 GLY A 735 -25.697 59.408 27.892 1.00 0.00 H
+ATOM 558 C GLY A 735 -24.075 60.721 27.252 1.00 52.13 C
+ATOM 559 O GLY A 735 -24.647 61.803 27.609 1.00 52.01 O
+ATOM 560 N GLU A 736 -22.881 60.687 26.634 1.00 50.56 N
+ATOM 561 H GLU A 736 -22.454 59.780 26.359 1.00 0.00 H
+ATOM 562 CA GLU A 736 -22.209 61.918 26.362 1.00 49.16 C
+ATOM 563 HA GLU A 736 -22.773 62.700 26.871 1.00 0.00 H
+ATOM 564 C GLU A 736 -22.218 62.296 24.888 1.00 48.34 C
+ATOM 565 O GLU A 736 -21.745 63.377 24.549 1.00 50.48 O
+ATOM 566 CB GLU A 736 -20.815 61.896 26.916 1.00 49.20 C
+ATOM 567 HB1 GLU A 736 -20.447 60.871 26.871 1.00 0.00 H
+ATOM 568 HB2 GLU A 736 -20.190 62.533 26.291 1.00 0.00 H
+ATOM 569 CG GLU A 736 -20.703 62.367 28.314 1.00 52.02 C
+ATOM 570 HG1 GLU A 736 -21.513 63.065 28.528 1.00 0.00 H
+ATOM 571 HG2 GLU A 736 -20.771 61.515 28.990 1.00 0.00 H
+ATOM 572 CD GLU A 736 -19.386 63.056 28.510 1.00 58.23 C
+ATOM 573 OE1 GLU A 736 -18.386 62.392 28.903 1.00 56.36 O
+ATOM 574 OE2 GLU A 736 -19.337 64.270 28.174 1.00 60.65 O
+ATOM 575 N LYS A 737 -22.788 61.470 24.009 1.00 46.42 N
+ATOM 576 H LYS A 737 -23.205 60.581 24.351 1.00 0.00 H
+ATOM 577 CA LYS A 737 -22.845 61.781 22.556 1.00 43.97 C
+ATOM 578 HA LYS A 737 -23.242 60.905 22.043 1.00 0.00 H
+ATOM 579 C LYS A 737 -21.439 62.049 21.997 1.00 41.97 C
+ATOM 580 O LYS A 737 -21.238 62.973 21.203 1.00 41.70 O
+ATOM 581 CB LYS A 737 -23.820 62.957 22.259 1.00 44.34 C
+ATOM 582 HB1 LYS A 737 -24.822 62.690 22.594 1.00 0.00 H
+ATOM 583 HB2 LYS A 737 -23.484 63.848 22.789 1.00 0.00 H
+ATOM 584 N VAL A 738 -20.474 61.255 22.458 1.00 39.48 N
+ATOM 585 H VAL A 738 -20.706 60.603 23.234 1.00 0.00 H
+ATOM 586 CA VAL A 738 -19.096 61.246 21.932 1.00 38.39 C
+ATOM 587 HA VAL A 738 -19.131 61.799 20.993 1.00 0.00 H
+ATOM 588 C VAL A 738 -18.675 59.815 21.808 1.00 38.16 C
+ATOM 589 O VAL A 738 -19.152 58.929 22.552 1.00 39.07 O
+ATOM 590 CB VAL A 738 -18.011 61.963 22.837 1.00 38.12 C
+ATOM 591 HB VAL A 738 -17.082 61.882 22.273 1.00 0.00 H
+ATOM 592 CG1 VAL A 738 -18.333 63.361 23.097 1.00 37.07 C
+ATOM 593 1HG1 VAL A 738 -18.391 63.901 22.152 1.00 0.00 H
+ATOM 594 2HG1 VAL A 738 -19.292 63.422 23.611 1.00 0.00 H
+ATOM 595 3HG1 VAL A 738 -17.556 63.802 23.721 1.00 0.00 H
+ATOM 596 CG2 VAL A 738 -17.901 61.312 24.186 1.00 39.40 C
+ATOM 597 1HG2 VAL A 738 -18.864 61.366 24.694 1.00 0.00 H
+ATOM 598 2HG2 VAL A 738 -17.612 60.268 24.062 1.00 0.00 H
+ATOM 599 3HG2 VAL A 738 -17.147 61.831 24.778 1.00 0.00 H
+ATOM 600 N LYS A 739 -17.803 59.568 20.854 1.00 37.47 N
+ATOM 601 H LYS A 739 -17.584 60.315 20.164 1.00 0.00 H
+ATOM 602 CA LYS A 739 -17.144 58.295 20.737 1.00 37.06 C
+ATOM 603 HA LYS A 739 -17.370 57.679 21.607 1.00 0.00 H
+ATOM 604 C LYS A 739 -15.626 58.570 20.603 1.00 36.50 C
+ATOM 605 O LYS A 739 -15.191 59.315 19.686 1.00 36.69 O
+ATOM 606 CB LYS A 739 -17.615 57.565 19.472 1.00 37.80 C
+ATOM 607 HB1 LYS A 739 -17.172 58.072 18.615 1.00 0.00 H
+ATOM 608 HB2 LYS A 739 -17.239 56.543 19.522 1.00 0.00 H
+ATOM 609 CG LYS A 739 -19.098 57.493 19.240 1.00 41.19 C
+ATOM 610 HG1 LYS A 739 -19.603 57.169 20.150 1.00 0.00 H
+ATOM 611 HG2 LYS A 739 -19.478 58.471 18.943 1.00 0.00 H
+ATOM 612 CD LYS A 739 -19.333 56.477 18.120 1.00 46.29 C
+ATOM 613 HD1 LYS A 739 -18.702 56.730 17.268 1.00 0.00 H
+ATOM 614 HD2 LYS A 739 -19.074 55.481 18.479 1.00 0.00 H
+ATOM 615 CE LYS A 739 -20.822 56.489 17.674 1.00 51.12 C
+ATOM 616 HE1 LYS A 739 -21.148 57.525 17.577 1.00 0.00 H
+ATOM 617 HE2 LYS A 739 -21.419 55.992 18.439 1.00 0.00 H
+ATOM 618 NZ LYS A 739 -21.044 55.791 16.363 1.00 54.06 N
+ATOM 619 HZ1 LYS A 739 -20.487 56.262 15.622 1.00 0.00 H
+ATOM 620 HZ2 LYS A 739 -20.745 54.798 16.445 1.00 0.00 H
+ATOM 621 HZ3 LYS A 739 -22.054 55.831 16.117 1.00 0.00 H
+ATOM 622 N ILE A 740 -14.817 57.932 21.456 1.00 34.50 N
+ATOM 623 H ILE A 740 -15.225 57.220 22.096 1.00 0.00 H
+ATOM 624 CA ILE A 740 -13.391 58.196 21.522 1.00 31.91 C
+ATOM 625 HA ILE A 740 -13.159 59.009 20.834 1.00 0.00 H
+ATOM 626 C ILE A 740 -12.585 57.006 21.080 1.00 30.90 C
+ATOM 627 O ILE A 740 -12.711 55.926 21.656 1.00 30.91 O
+ATOM 628 CB ILE A 740 -13.010 58.624 22.950 1.00 32.05 C
+ATOM 629 HB ILE A 740 -13.306 57.824 23.629 1.00 0.00 H
+ATOM 630 CG1 ILE A 740 -13.680 59.940 23.220 1.00 32.11 C
+ATOM 631 1HG1 ILE A 740 -12.938 60.738 23.188 1.00 0.00 H
+ATOM 632 2HG1 ILE A 740 -14.440 60.122 22.460 1.00 0.00 H
+ATOM 633 CG2 ILE A 740 -11.507 58.892 23.091 1.00 30.77 C
+ATOM 634 1HG2 ILE A 740 -10.953 57.985 22.849 1.00 0.00 H
+ATOM 635 2HG2 ILE A 740 -11.216 59.690 22.408 1.00 0.00 H
+ATOM 636 3HG2 ILE A 740 -11.287 59.191 24.116 1.00 0.00 H
+ATOM 637 CD1 ILE A 740 -14.278 59.916 24.475 1.00 37.15 C
+ATOM 638 1HD1 ILE A 740 -15.021 59.119 24.507 1.00 0.00 H
+ATOM 639 2HD1 ILE A 740 -13.518 59.736 25.235 1.00 0.00 H
+ATOM 640 3HD1 ILE A 740 -14.762 60.874 24.664 1.00 0.00 H
+ATOM 641 N PRO A 741 -11.746 57.187 20.043 1.00 29.03 N
+ATOM 642 CA PRO A 741 -10.921 56.043 19.681 1.00 28.30 C
+ATOM 643 HA PRO A 741 -11.515 55.135 19.573 1.00 0.00 H
+ATOM 644 C PRO A 741 -9.901 55.695 20.747 1.00 28.71 C
+ATOM 645 O PRO A 741 -9.211 56.588 21.195 1.00 30.44 O
+ATOM 646 CB PRO A 741 -10.232 56.483 18.352 1.00 26.61 C
+ATOM 647 HB1 PRO A 741 -9.233 56.873 18.546 1.00 0.00 H
+ATOM 648 HB2 PRO A 741 -10.165 55.646 17.657 1.00 0.00 H
+ATOM 649 CG PRO A 741 -11.129 57.564 17.802 1.00 25.99 C
+ATOM 650 HG1 PRO A 741 -10.583 58.230 17.133 1.00 0.00 H
+ATOM 651 HG2 PRO A 741 -11.982 57.139 17.273 1.00 0.00 H
+ATOM 652 CD PRO A 741 -11.580 58.309 19.102 1.00 28.67 C
+ATOM 653 HD1 PRO A 741 -12.518 58.843 18.950 1.00 0.00 H
+ATOM 654 HD2 PRO A 741 -10.817 59.007 19.446 1.00 0.00 H
+ATOM 655 N VAL A 742 -9.729 54.415 21.095 1.00 27.90 N
+ATOM 656 H VAL A 742 -10.204 53.661 20.558 1.00 0.00 H
+ATOM 657 CA VAL A 742 -8.895 54.086 22.201 1.00 27.57 C
+ATOM 658 HA VAL A 742 -8.213 54.925 22.336 1.00 0.00 H
+ATOM 659 C VAL A 742 -8.150 52.834 21.936 1.00 30.03 C
+ATOM 660 O VAL A 742 -8.520 52.064 21.067 1.00 30.63 O
+ATOM 661 CB VAL A 742 -9.745 53.859 23.532 1.00 29.77 C
+ATOM 662 HB VAL A 742 -9.052 53.510 24.297 1.00 0.00 H
+ATOM 663 CG1 VAL A 742 -10.350 55.172 24.054 1.00 23.29 C
+ATOM 664 1HG1 VAL A 742 -9.549 55.877 24.275 1.00 0.00 H
+ATOM 665 2HG1 VAL A 742 -11.008 55.594 23.295 1.00 0.00 H
+ATOM 666 3HG1 VAL A 742 -10.921 54.972 24.961 1.00 0.00 H
+ATOM 667 CG2 VAL A 742 -10.839 52.700 23.363 1.00 23.61 C
+ATOM 668 1HG2 VAL A 742 -11.529 52.967 22.562 1.00 0.00 H
+ATOM 669 2HG2 VAL A 742 -10.339 51.763 23.117 1.00 0.00 H
+ATOM 670 3HG2 VAL A 742 -11.391 52.584 24.296 1.00 0.00 H
+ATOM 671 N ALA A 743 -7.071 52.652 22.663 1.00 30.54 N
+ATOM 672 H ALA A 743 -6.691 53.447 23.216 1.00 0.00 H
+ATOM 673 CA ALA A 743 -6.408 51.390 22.712 1.00 33.58 C
+ATOM 674 HA ALA A 743 -6.801 50.736 21.933 1.00 0.00 H
+ATOM 675 C ALA A 743 -6.660 50.761 24.117 1.00 35.82 C
+ATOM 676 O ALA A 743 -6.581 51.457 25.121 1.00 35.73 O
+ATOM 677 CB ALA A 743 -4.910 51.553 22.459 1.00 32.22 C
+ATOM 678 HB1 ALA A 743 -4.755 51.994 21.474 1.00 0.00 H
+ATOM 679 HB2 ALA A 743 -4.483 52.205 23.221 1.00 0.00 H
+ATOM 680 HB3 ALA A 743 -4.427 50.577 22.502 1.00 0.00 H
+ATOM 681 N ILE A 744 -6.989 49.459 24.167 1.00 38.33 N
+ATOM 682 H ILE A 744 -6.990 48.912 23.282 1.00 0.00 H
+ATOM 683 CA ILE A 744 -7.346 48.775 25.413 1.00 40.05 C
+ATOM 684 HA ILE A 744 -7.306 49.509 26.218 1.00 0.00 H
+ATOM 685 C ILE A 744 -6.381 47.642 25.618 1.00 42.99 C
+ATOM 686 O ILE A 744 -6.285 46.741 24.776 1.00 43.71 O
+ATOM 687 CB ILE A 744 -8.743 48.192 25.376 1.00 39.23 C
+ATOM 688 HB ILE A 744 -8.780 47.481 24.551 1.00 0.00 H
+ATOM 689 CG1 ILE A 744 -9.778 49.275 25.133 1.00 36.63 C
+ATOM 690 1HG1 ILE A 744 -10.093 49.679 26.095 1.00 0.00 H
+ATOM 691 2HG1 ILE A 744 -9.321 50.067 24.540 1.00 0.00 H
+ATOM 692 CG2 ILE A 744 -9.069 47.437 26.709 1.00 40.81 C
+ATOM 693 1HG2 ILE A 744 -8.354 46.626 26.850 1.00 0.00 H
+ATOM 694 2HG2 ILE A 744 -9.001 48.133 27.545 1.00 0.00 H
+ATOM 695 3HG2 ILE A 744 -10.078 47.028 26.656 1.00 0.00 H
+ATOM 696 CD1 ILE A 744 -11.036 48.749 24.377 1.00 34.20 C
+ATOM 697 1HD1 ILE A 744 -10.736 48.351 23.408 1.00 0.00 H
+ATOM 698 2HD1 ILE A 744 -11.508 47.962 24.964 1.00 0.00 H
+ATOM 699 3HD1 ILE A 744 -11.740 49.568 24.232 1.00 0.00 H
+ATOM 700 N LYS A 745 -5.642 47.704 26.717 1.00 46.00 N
+ATOM 701 H LYS A 745 -5.685 48.562 27.303 1.00 0.00 H
+ATOM 702 CA LYS A 745 -4.771 46.610 27.133 1.00 49.04 C
+ATOM 703 HA LYS A 745 -4.567 46.003 26.251 1.00 0.00 H
+ATOM 704 C LYS A 745 -5.465 45.702 28.191 1.00 51.18 C
+ATOM 705 O LYS A 745 -5.953 46.189 29.236 1.00 50.34 O
+ATOM 706 CB LYS A 745 -3.458 47.132 27.662 1.00 49.56 C
+ATOM 707 HB1 LYS A 745 -3.087 47.896 26.979 1.00 0.00 H
+ATOM 708 HB2 LYS A 745 -3.629 47.575 28.643 1.00 0.00 H
+ATOM 709 CG LYS A 745 -2.396 46.041 27.798 1.00 50.82 C
+ATOM 710 HG1 LYS A 745 -2.760 45.250 28.454 1.00 0.00 H
+ATOM 711 HG2 LYS A 745 -2.167 45.623 26.818 1.00 0.00 H
+ATOM 712 CD LYS A 745 -1.175 46.659 28.381 1.00 51.67 C
+ATOM 713 HD1 LYS A 745 -1.053 47.665 27.981 1.00 0.00 H
+ATOM 714 HD2 LYS A 745 -1.278 46.711 29.465 1.00 0.00 H
+ATOM 715 CE LYS A 745 0.025 45.839 28.036 1.00 58.05 C
+ATOM 716 HE1 LYS A 745 0.172 45.830 26.956 1.00 0.00 H
+ATOM 717 HE2 LYS A 745 -0.107 44.817 28.392 1.00 0.00 H
+ATOM 718 NZ LYS A 745 1.222 46.474 28.716 1.00 62.13 N
+ATOM 719 HZ1 LYS A 745 1.337 47.449 28.373 1.00 0.00 H
+ATOM 720 HZ2 LYS A 745 1.071 46.482 29.745 1.00 0.00 H
+ATOM 721 HZ3 LYS A 745 2.077 45.925 28.495 1.00 0.00 H
+ATOM 722 N GLU A 746 -5.520 44.393 27.887 1.00 53.13 N
+ATOM 723 H GLU A 746 -5.086 44.068 26.999 1.00 0.00 H
+ATOM 724 CA GLU A 746 -6.159 43.417 28.745 1.00 54.26 C
+ATOM 725 HA GLU A 746 -6.455 43.947 29.650 1.00 0.00 H
+ATOM 726 C GLU A 746 -5.234 42.312 29.162 1.00 54.24 C
+ATOM 727 O GLU A 746 -4.948 42.231 30.361 1.00 55.86 O
+ATOM 728 CB GLU A 746 -7.381 42.839 28.072 1.00 55.02 C
+ATOM 729 HB1 GLU A 746 -8.000 43.660 27.710 1.00 0.00 H
+ATOM 730 HB2 GLU A 746 -7.058 42.229 27.228 1.00 0.00 H
+ATOM 731 CG GLU A 746 -8.219 41.972 29.007 1.00 57.69 C
+ATOM 732 HG1 GLU A 746 -7.670 41.057 29.231 1.00 0.00 H
+ATOM 733 HG2 GLU A 746 -8.402 42.520 29.931 1.00 0.00 H
+ATOM 734 CD GLU A 746 -9.535 41.612 28.384 1.00 63.51 C
+ATOM 735 OE1 GLU A 746 -10.546 41.477 29.142 1.00 66.42 O
+ATOM 736 OE2 GLU A 746 -9.561 41.482 27.118 1.00 67.81 O
+ATOM 737 N SER A 752 1.592 36.885 38.423 1.00 62.40 N
+ATOM 738 HN1 SER A 752 1.925 36.272 37.652 1.00 0.00 H
+ATOM 739 HN2 SER A 752 2.247 37.685 38.539 1.00 0.00 H
+ATOM 740 HN3 SER A 752 1.549 36.340 39.307 1.00 0.00 H
+ATOM 741 CA SER A 752 0.250 37.395 38.098 1.00 62.77 C
+ATOM 742 HA SER A 752 0.403 38.008 37.210 1.00 0.00 H
+ATOM 743 C SER A 752 -0.332 38.317 39.183 1.00 62.48 C
+ATOM 744 O SER A 752 -0.949 39.321 38.836 1.00 62.99 O
+ATOM 745 CB SER A 752 -0.760 36.279 37.703 1.00 63.03 C
+ATOM 746 HB1 SER A 752 -0.648 35.454 38.407 1.00 0.00 H
+ATOM 747 HB2 SER A 752 -0.511 35.935 36.699 1.00 0.00 H
+ATOM 748 OG SER A 752 -2.162 36.696 37.708 1.00 62.98 O
+ATOM 749 HG SER A 752 -2.287 37.438 37.064 1.00 0.00 H
+ATOM 750 N PRO A 753 -0.224 37.960 40.487 1.00 62.67 N
+ATOM 751 CA PRO A 753 -0.413 39.128 41.403 1.00 62.07 C
+ATOM 752 HA PRO A 753 -1.344 39.662 41.213 1.00 0.00 H
+ATOM 753 C PRO A 753 0.692 40.179 41.207 1.00 60.61 C
+ATOM 754 O PRO A 753 0.414 41.353 41.383 1.00 60.51 O
+ATOM 755 CB PRO A 753 -0.381 38.509 42.825 1.00 62.06 C
+ATOM 756 HB1 PRO A 753 0.610 38.608 43.268 1.00 0.00 H
+ATOM 757 HB2 PRO A 753 -1.116 38.988 43.472 1.00 0.00 H
+ATOM 758 CG PRO A 753 -0.735 37.024 42.599 1.00 62.49 C
+ATOM 759 HG1 PRO A 753 -0.336 36.401 43.400 1.00 0.00 H
+ATOM 760 HG2 PRO A 753 -1.814 36.885 42.537 1.00 0.00 H
+ATOM 761 CD PRO A 753 -0.054 36.694 41.247 1.00 62.58 C
+ATOM 762 HD1 PRO A 753 -0.552 35.863 40.747 1.00 0.00 H
+ATOM 763 HD2 PRO A 753 1.000 36.455 41.384 1.00 0.00 H
+ATOM 764 N LYS A 754 1.906 39.754 40.818 1.00 59.22 N
+ATOM 765 H LYS A 754 2.115 38.736 40.858 1.00 0.00 H
+ATOM 766 CA LYS A 754 2.950 40.670 40.339 1.00 57.67 C
+ATOM 767 HA LYS A 754 3.165 41.380 41.137 1.00 0.00 H
+ATOM 768 C LYS A 754 2.457 41.472 39.094 1.00 56.53 C
+ATOM 769 O LYS A 754 2.451 42.715 39.127 1.00 55.75 O
+ATOM 770 CB LYS A 754 4.246 39.910 40.020 1.00 57.82 C
+ATOM 771 HB1 LYS A 754 4.604 39.411 40.921 1.00 0.00 H
+ATOM 772 HB2 LYS A 754 4.049 39.168 39.246 1.00 0.00 H
+ATOM 773 N ALA A 755 2.047 40.762 38.024 1.00 54.60 N
+ATOM 774 H ALA A 755 2.158 39.728 38.052 1.00 0.00 H
+ATOM 775 CA ALA A 755 1.447 41.366 36.808 1.00 53.38 C
+ATOM 776 HA ALA A 755 2.276 41.870 36.312 1.00 0.00 H
+ATOM 777 C ALA A 755 0.393 42.480 37.090 1.00 52.78 C
+ATOM 778 O ALA A 755 0.575 43.621 36.657 1.00 52.21 O
+ATOM 779 CB ALA A 755 0.881 40.293 35.855 1.00 52.51 C
+ATOM 780 HB1 ALA A 755 1.684 39.624 35.545 1.00 0.00 H
+ATOM 781 HB2 ALA A 755 0.109 39.722 36.371 1.00 0.00 H
+ATOM 782 HB3 ALA A 755 0.451 40.778 34.978 1.00 0.00 H
+ATOM 783 N ASN A 756 -0.676 42.165 37.830 1.00 51.57 N
+ATOM 784 H ASN A 756 -0.828 41.175 38.109 1.00 0.00 H
+ATOM 785 CA ASN A 756 -1.637 43.184 38.255 1.00 50.98 C
+ATOM 786 HA ASN A 756 -2.005 43.596 37.315 1.00 0.00 H
+ATOM 787 C ASN A 756 -1.084 44.348 39.052 1.00 49.76 C
+ATOM 788 O ASN A 756 -1.560 45.437 38.957 1.00 49.37 O
+ATOM 789 CB ASN A 756 -2.698 42.550 39.102 1.00 51.81 C
+ATOM 790 HB1 ASN A 756 -2.220 42.033 39.934 1.00 0.00 H
+ATOM 791 HB2 ASN A 756 -3.351 43.332 39.489 1.00 0.00 H
+ATOM 792 CG ASN A 756 -3.521 41.574 38.343 1.00 54.40 C
+ATOM 793 OD1 ASN A 756 -4.549 41.933 37.775 1.00 56.90 O
+ATOM 794 ND2 ASN A 756 -3.075 40.318 38.317 1.00 56.65 N
+ATOM 795 1HD2 ASN A 756 -3.605 39.589 37.798 1.00 0.00 H
+ATOM 796 2HD2 ASN A 756 -2.197 40.067 38.816 1.00 0.00 H
+ATOM 797 N LYS A 757 -0.144 44.072 39.921 1.00 49.55 N
+ATOM 798 H LYS A 757 0.098 43.076 40.098 1.00 0.00 H
+ATOM 799 CA LYS A 757 0.559 45.085 40.633 1.00 50.34 C
+ATOM 800 HA LYS A 757 -0.143 45.666 41.232 1.00 0.00 H
+ATOM 801 C LYS A 757 1.265 46.016 39.651 1.00 49.47 C
+ATOM 802 O LYS A 757 1.217 47.214 39.804 1.00 49.52 O
+ATOM 803 CB LYS A 757 1.600 44.418 41.536 1.00 51.04 C
+ATOM 804 HB1 LYS A 757 1.243 43.420 41.789 1.00 0.00 H
+ATOM 805 HB2 LYS A 757 2.534 44.338 40.979 1.00 0.00 H
+ATOM 806 CG LYS A 757 1.876 45.154 42.810 1.00 56.14 C
+ATOM 807 HG1 LYS A 757 1.022 45.789 43.044 1.00 0.00 H
+ATOM 808 HG2 LYS A 757 2.020 44.431 43.613 1.00 0.00 H
+ATOM 809 CD LYS A 757 3.134 46.031 42.696 1.00 60.95 C
+ATOM 810 HD1 LYS A 757 4.021 45.404 42.784 1.00 0.00 H
+ATOM 811 HD2 LYS A 757 3.139 46.532 41.728 1.00 0.00 H
+ATOM 812 CE LYS A 757 3.142 47.091 43.821 1.00 61.85 C
+ATOM 813 HE1 LYS A 757 2.849 46.630 44.764 1.00 0.00 H
+ATOM 814 HE2 LYS A 757 2.445 47.893 43.578 1.00 0.00 H
+ATOM 815 NZ LYS A 757 4.522 47.640 43.935 1.00 63.86 N
+ATOM 816 HZ1 LYS A 757 5.182 46.870 44.165 1.00 0.00 H
+ATOM 817 HZ2 LYS A 757 4.796 48.076 43.031 1.00 0.00 H
+ATOM 818 HZ3 LYS A 757 4.548 48.356 44.688 1.00 0.00 H
+ATOM 819 N GLU A 758 1.924 45.460 38.647 1.00 48.46 N
+ATOM 820 H GLU A 758 1.882 44.430 38.510 1.00 0.00 H
+ATOM 821 CA GLU A 758 2.701 46.271 37.741 1.00 48.91 C
+ATOM 822 HA GLU A 758 3.328 46.887 38.385 1.00 0.00 H
+ATOM 823 C GLU A 758 1.923 47.262 36.889 1.00 46.93 C
+ATOM 824 O GLU A 758 2.311 48.416 36.711 1.00 46.62 O
+ATOM 825 CB GLU A 758 3.500 45.373 36.842 1.00 49.93 C
+ATOM 826 HB1 GLU A 758 2.976 44.426 36.714 1.00 0.00 H
+ATOM 827 HB2 GLU A 758 3.628 45.850 35.870 1.00 0.00 H
+ATOM 828 CG GLU A 758 4.838 45.125 37.458 1.00 55.99 C
+ATOM 829 HG1 GLU A 758 5.452 46.018 37.345 1.00 0.00 H
+ATOM 830 HG2 GLU A 758 4.706 44.908 38.518 1.00 0.00 H
+ATOM 831 CD GLU A 758 5.532 43.971 36.807 1.00 64.55 C
+ATOM 832 OE1 GLU A 758 5.218 43.696 35.613 1.00 68.14 O
+ATOM 833 OE2 GLU A 758 6.389 43.339 37.489 1.00 69.75 O
+ATOM 834 N ILE A 759 0.833 46.750 36.379 1.00 45.12 N
+ATOM 835 H ILE A 759 0.604 45.766 36.624 1.00 0.00 H
+ATOM 836 CA ILE A 759 -0.040 47.422 35.536 1.00 44.86 C
+ATOM 837 HA ILE A 759 0.455 47.949 34.720 1.00 0.00 H
+ATOM 838 C ILE A 759 -0.726 48.587 36.290 1.00 43.47 C
+ATOM 839 O ILE A 759 -0.909 49.670 35.733 1.00 42.12 O
+ATOM 840 CB ILE A 759 -0.938 46.357 34.819 1.00 45.84 C
+ATOM 841 HB ILE A 759 -0.640 45.395 35.235 1.00 0.00 H
+ATOM 842 CG1 ILE A 759 -0.736 46.468 33.311 1.00 49.89 C
+ATOM 843 1HG1 ILE A 759 -0.759 45.463 32.891 1.00 0.00 H
+ATOM 844 2HG1 ILE A 759 -1.560 47.051 32.900 1.00 0.00 H
+ATOM 845 CG2 ILE A 759 -2.424 46.561 35.042 1.00 48.18 C
+ATOM 846 1HG2 ILE A 759 -2.641 46.504 36.109 1.00 0.00 H
+ATOM 847 2HG2 ILE A 759 -2.716 47.540 34.663 1.00 0.00 H
+ATOM 848 3HG2 ILE A 759 -2.979 45.785 34.515 1.00 0.00 H
+ATOM 849 CD1 ILE A 759 0.668 47.179 32.856 1.00 53.33 C
+ATOM 850 1HD1 ILE A 759 0.706 48.193 33.254 1.00 0.00 H
+ATOM 851 2HD1 ILE A 759 1.508 46.603 33.244 1.00 0.00 H
+ATOM 852 3HD1 ILE A 759 0.721 47.212 31.768 1.00 0.00 H
+ATOM 853 N LEU A 760 -1.035 48.403 37.574 1.00 41.50 N
+ATOM 854 H LEU A 760 -0.846 47.490 38.034 1.00 0.00 H
+ATOM 855 CA LEU A 760 -1.634 49.485 38.319 1.00 39.86 C
+ATOM 856 HA LEU A 760 -2.355 49.968 37.660 1.00 0.00 H
+ATOM 857 C LEU A 760 -0.598 50.508 38.717 1.00 39.16 C
+ATOM 858 O LEU A 760 -0.924 51.662 38.927 1.00 39.89 O
+ATOM 859 CB LEU A 760 -2.397 48.987 39.529 1.00 38.88 C
+ATOM 860 HB1 LEU A 760 -1.736 48.309 40.069 1.00 0.00 H
+ATOM 861 HB2 LEU A 760 -2.613 49.855 40.152 1.00 0.00 H
+ATOM 862 CG LEU A 760 -3.713 48.252 39.310 1.00 40.85 C
+ATOM 863 HG LEU A 760 -3.564 47.639 38.421 1.00 0.00 H
+ATOM 864 CD1 LEU A 760 -4.037 47.411 40.534 1.00 43.52 C
+ATOM 865 1HD1 LEU A 760 -3.239 46.686 40.697 1.00 0.00 H
+ATOM 866 2HD1 LEU A 760 -4.124 48.059 41.406 1.00 0.00 H
+ATOM 867 3HD1 LEU A 760 -4.979 46.887 40.374 1.00 0.00 H
+ATOM 868 CD2 LEU A 760 -4.871 49.143 39.041 1.00 38.15 C
+ATOM 869 1HD2 LEU A 760 -5.016 49.814 39.888 1.00 0.00 H
+ATOM 870 2HD2 LEU A 760 -4.677 49.727 38.142 1.00 0.00 H
+ATOM 871 3HD2 LEU A 760 -5.767 48.539 38.897 1.00 0.00 H
+ATOM 872 N ASP A 761 0.646 50.113 38.844 1.00 39.15 N
+ATOM 873 H ASP A 761 0.888 49.103 38.781 1.00 0.00 H
+ATOM 874 CA ASP A 761 1.691 51.115 39.076 1.00 40.24 C
+ATOM 875 HA ASP A 761 1.379 51.735 39.917 1.00 0.00 H
+ATOM 876 C ASP A 761 1.885 51.963 37.849 1.00 38.97 C
+ATOM 877 O ASP A 761 2.142 53.135 37.948 1.00 38.58 O
+ATOM 878 CB ASP A 761 3.005 50.437 39.382 1.00 41.56 C
+ATOM 879 HB1 ASP A 761 3.209 49.700 38.606 1.00 0.00 H
+ATOM 880 HB2 ASP A 761 3.795 51.188 39.385 1.00 0.00 H
+ATOM 881 CG ASP A 761 2.989 49.743 40.718 1.00 45.79 C
+ATOM 882 OD1 ASP A 761 2.140 50.093 41.591 1.00 50.61 O
+ATOM 883 OD2 ASP A 761 3.817 48.811 40.883 1.00 50.28 O
+ATOM 884 N GLU A 762 1.749 51.345 36.686 1.00 38.21 N
+ATOM 885 H GLU A 762 1.641 50.311 36.662 1.00 0.00 H
+ATOM 886 CA GLU A 762 1.749 52.084 35.466 1.00 38.65 C
+ATOM 887 HA GLU A 762 2.665 52.675 35.488 1.00 0.00 H
+ATOM 888 C GLU A 762 0.588 53.038 35.332 1.00 36.75 C
+ATOM 889 O GLU A 762 0.774 54.190 34.900 1.00 37.29 O
+ATOM 890 CB GLU A 762 1.731 51.148 34.278 1.00 39.87 C
+ATOM 891 HB1 GLU A 762 1.403 50.166 34.618 1.00 0.00 H
+ATOM 892 HB2 GLU A 762 1.021 51.533 33.547 1.00 0.00 H
+ATOM 893 CG GLU A 762 3.062 50.998 33.611 1.00 44.05 C
+ATOM 894 HG1 GLU A 762 3.451 51.984 33.356 1.00 0.00 H
+ATOM 895 HG2 GLU A 762 3.753 50.502 34.292 1.00 0.00 H
+ATOM 896 CD GLU A 762 2.925 50.187 32.372 1.00 49.08 C
+ATOM 897 OE1 GLU A 762 3.153 48.948 32.533 1.00 52.89 O
+ATOM 898 OE2 GLU A 762 2.540 50.776 31.298 1.00 48.31 O
+ATOM 899 N ALA A 763 -0.608 52.565 35.662 1.00 34.04 N
+ATOM 900 H ALA A 763 -0.699 51.591 36.016 1.00 0.00 H
+ATOM 901 CA ALA A 763 -1.789 53.399 35.532 1.00 31.94 C
+ATOM 902 HA ALA A 763 -1.894 53.734 34.500 1.00 0.00 H
+ATOM 903 C ALA A 763 -1.619 54.560 36.454 1.00 31.21 C
+ATOM 904 O ALA A 763 -1.914 55.709 36.091 1.00 30.96 O
+ATOM 905 CB ALA A 763 -3.030 52.644 35.867 1.00 33.03 C
+ATOM 906 HB1 ALA A 763 -3.130 51.795 35.191 1.00 0.00 H
+ATOM 907 HB2 ALA A 763 -2.970 52.287 36.895 1.00 0.00 H
+ATOM 908 HB3 ALA A 763 -3.893 53.300 35.759 1.00 0.00 H
+ATOM 909 N TYR A 764 -1.051 54.289 37.613 1.00 29.87 N
+ATOM 910 H TYR A 764 -0.838 53.302 37.861 1.00 0.00 H
+ATOM 911 CA TYR A 764 -0.721 55.342 38.540 1.00 30.00 C
+ATOM 912 HA TYR A 764 -1.649 55.817 38.859 1.00 0.00 H
+ATOM 913 C TYR A 764 0.137 56.458 37.886 1.00 29.32 C
+ATOM 914 O TYR A 764 -0.211 57.657 37.962 1.00 27.99 O
+ATOM 915 CB TYR A 764 -0.012 54.745 39.748 1.00 30.73 C
+ATOM 916 HB1 TYR A 764 -0.737 54.169 40.323 1.00 0.00 H
+ATOM 917 HB2 TYR A 764 0.777 54.082 39.392 1.00 0.00 H
+ATOM 918 CG TYR A 764 0.602 55.772 40.651 1.00 32.35 C
+ATOM 919 CD1 TYR A 764 1.969 55.967 40.682 1.00 38.98 C
+ATOM 920 HD1 TYR A 764 2.616 55.348 40.061 1.00 0.00 H
+ATOM 921 CD2 TYR A 764 -0.185 56.556 41.428 1.00 34.61 C
+ATOM 922 HD2 TYR A 764 -1.266 56.421 41.392 1.00 0.00 H
+ATOM 923 CE1 TYR A 764 2.536 56.959 41.509 1.00 44.79 C
+ATOM 924 HE1 TYR A 764 3.613 57.125 41.519 1.00 0.00 H
+ATOM 925 CE2 TYR A 764 0.340 57.517 42.260 1.00 41.03 C
+ATOM 926 HE2 TYR A 764 -0.321 58.120 42.882 1.00 0.00 H
+ATOM 927 CZ TYR A 764 1.699 57.716 42.307 1.00 44.61 C
+ATOM 928 OH TYR A 764 2.204 58.691 43.167 1.00 48.91 O
+ATOM 929 HH TYR A 764 3.191 58.718 43.091 1.00 0.00 H
+ATOM 930 N VAL A 765 1.233 56.067 37.242 1.00 28.62 N
+ATOM 931 H VAL A 765 1.478 55.058 37.186 1.00 0.00 H
+ATOM 932 CA VAL A 765 2.100 57.082 36.607 1.00 29.74 C
+ATOM 933 HA VAL A 765 2.291 57.794 37.410 1.00 0.00 H
+ATOM 934 C VAL A 765 1.433 57.825 35.445 1.00 28.58 C
+ATOM 935 O VAL A 765 1.485 59.028 35.381 1.00 28.43 O
+ATOM 936 CB VAL A 765 3.451 56.491 36.098 1.00 30.80 C
+ATOM 937 HB VAL A 765 3.257 55.786 35.290 1.00 0.00 H
+ATOM 938 CG1 VAL A 765 4.311 57.629 35.622 1.00 30.03 C
+ATOM 939 1HG1 VAL A 765 3.802 58.154 34.813 1.00 0.00 H
+ATOM 940 2HG1 VAL A 765 4.490 58.318 36.448 1.00 0.00 H
+ATOM 941 3HG1 VAL A 765 5.262 57.238 35.261 1.00 0.00 H
+ATOM 942 CG2 VAL A 765 4.179 55.742 37.229 1.00 29.02 C
+ATOM 943 1HG2 VAL A 765 4.382 56.432 38.048 1.00 0.00 H
+ATOM 944 2HG2 VAL A 765 3.550 54.927 37.587 1.00 0.00 H
+ATOM 945 3HG2 VAL A 765 5.118 55.339 36.850 1.00 0.00 H
+ATOM 946 N MET A 766 0.773 57.104 34.551 1.00 28.93 N
+ATOM 947 H MET A 766 0.717 56.073 34.674 1.00 0.00 H
+ATOM 948 CA MET A 766 0.120 57.721 33.393 1.00 29.33 C
+ATOM 949 HA MET A 766 0.862 58.314 32.859 1.00 0.00 H
+ATOM 950 C MET A 766 -0.994 58.634 33.808 1.00 30.26 C
+ATOM 951 O MET A 766 -1.220 59.650 33.179 1.00 32.02 O
+ATOM 952 CB MET A 766 -0.432 56.642 32.514 1.00 29.90 C
+ATOM 953 HB1 MET A 766 -0.984 55.934 33.132 1.00 0.00 H
+ATOM 954 HB2 MET A 766 -1.108 57.092 31.787 1.00 0.00 H
+ATOM 955 CG MET A 766 0.655 55.898 31.772 1.00 32.81 C
+ATOM 956 HG1 MET A 766 1.384 55.518 32.488 1.00 0.00 H
+ATOM 957 HG2 MET A 766 1.149 56.580 31.080 1.00 0.00 H
+ATOM 958 SD MET A 766 -0.058 54.497 30.834 1.00 42.13 S
+ATOM 959 CE MET A 766 1.584 53.773 30.154 1.00 48.93 C
+ATOM 960 HE1 MET A 766 2.087 54.525 29.546 1.00 0.00 H
+ATOM 961 HE2 MET A 766 2.227 53.489 30.987 1.00 0.00 H
+ATOM 962 HE3 MET A 766 1.368 52.896 29.544 1.00 0.00 H
+ATOM 963 N ALA A 767 -1.700 58.286 34.890 1.00 30.84 N
+ATOM 964 H ALA A 767 -1.501 57.364 35.328 1.00 0.00 H
+ATOM 965 CA ALA A 767 -2.731 59.121 35.492 1.00 29.33 C
+ATOM 966 HA ALA A 767 -3.469 59.367 34.728 1.00 0.00 H
+ATOM 967 C ALA A 767 -2.130 60.404 36.011 1.00 29.10 C
+ATOM 968 O ALA A 767 -2.785 61.434 36.035 1.00 28.17 O
+ATOM 969 CB ALA A 767 -3.455 58.344 36.658 1.00 28.38 C
+ATOM 970 HB1 ALA A 767 -3.917 57.441 36.259 1.00 0.00 H
+ATOM 971 HB2 ALA A 767 -2.725 58.074 37.421 1.00 0.00 H
+ATOM 972 HB3 ALA A 767 -4.222 58.982 37.097 1.00 0.00 H
+ATOM 973 N SER A 768 -0.874 60.363 36.434 1.00 29.36 N
+ATOM 974 H SER A 768 -0.309 59.493 36.353 1.00 0.00 H
+ATOM 975 CA SER A 768 -0.309 61.576 37.016 1.00 31.24 C
+ATOM 976 HA SER A 768 -1.152 62.106 37.458 1.00 0.00 H
+ATOM 977 C SER A 768 0.363 62.489 36.002 1.00 31.97 C
+ATOM 978 O SER A 768 0.959 63.473 36.379 1.00 33.47 O
+ATOM 979 CB SER A 768 0.754 61.205 38.028 1.00 30.55 C
+ATOM 980 HB1 SER A 768 0.874 62.017 38.745 1.00 0.00 H
+ATOM 981 HB2 SER A 768 1.700 61.031 37.516 1.00 0.00 H
+ATOM 982 OG SER A 768 0.365 60.040 38.701 1.00 32.49 O
+ATOM 983 HG SER A 768 0.257 59.304 38.048 1.00 0.00 H
+ATOM 984 N VAL A 769 0.328 62.162 34.723 1.00 32.35 N
+ATOM 985 H VAL A 769 -0.153 61.297 34.405 1.00 0.00 H
+ATOM 986 CA VAL A 769 0.988 63.055 33.764 1.00 31.32 C
+ATOM 987 HA VAL A 769 1.404 63.864 34.365 1.00 0.00 H
+ATOM 988 C VAL A 769 0.045 63.701 32.782 1.00 31.38 C
+ATOM 989 O VAL A 769 -0.881 63.086 32.286 1.00 32.60 O
+ATOM 990 CB VAL A 769 2.129 62.345 33.029 1.00 29.89 C
+ATOM 991 HB VAL A 769 2.518 62.994 32.244 1.00 0.00 H
+ATOM 992 CG1 VAL A 769 3.250 62.064 33.991 1.00 27.81 C
+ATOM 993 1HG1 VAL A 769 3.615 63.003 34.406 1.00 0.00 H
+ATOM 994 2HG1 VAL A 769 2.885 61.427 34.796 1.00 0.00 H
+ATOM 995 3HG1 VAL A 769 4.060 61.559 33.465 1.00 0.00 H
+ATOM 996 CG2 VAL A 769 1.643 61.129 32.362 1.00 27.09 C
+ATOM 997 1HG2 VAL A 769 1.227 60.450 33.106 1.00 0.00 H
+ATOM 998 2HG2 VAL A 769 0.871 61.396 31.640 1.00 0.00 H
+ATOM 999 3HG2 VAL A 769 2.472 60.643 31.847 1.00 0.00 H
+ATOM 1000 N ASP A 770 0.249 64.965 32.479 1.00 31.38 N
+ATOM 1001 H ASP A 770 1.040 65.504 32.885 1.00 0.00 H
+ATOM 1002 CA ASP A 770 -0.694 65.572 31.542 1.00 30.37 C
+ATOM 1003 HA ASP A 770 -1.150 64.816 30.903 1.00 0.00 H
+ATOM 1004 C ASP A 770 0.060 66.526 30.620 1.00 28.96 C
+ATOM 1005 O ASP A 770 0.393 67.658 30.992 1.00 27.70 O
+ATOM 1006 CB ASP A 770 -1.847 66.214 32.299 1.00 30.01 C
+ATOM 1007 HB1 ASP A 770 -2.439 65.424 32.761 1.00 0.00 H
+ATOM 1008 HB2 ASP A 770 -1.434 66.858 33.075 1.00 0.00 H
+ATOM 1009 CG ASP A 770 -2.764 67.049 31.417 1.00 34.35 C
+ATOM 1010 OD1 ASP A 770 -3.006 66.755 30.226 1.00 34.07 O
+ATOM 1011 OD2 ASP A 770 -3.279 68.049 31.956 1.00 43.45 O
+ATOM 1012 N ASN A 771 0.369 66.052 29.415 1.00 26.84 N
+ATOM 1013 H ASN A 771 0.048 65.110 29.111 1.00 0.00 H
+ATOM 1014 CA ASN A 771 1.177 66.900 28.527 1.00 25.35 C
+ATOM 1015 HA ASN A 771 0.908 67.949 28.647 1.00 0.00 H
+ATOM 1016 C ASN A 771 0.918 66.466 27.119 1.00 24.24 C
+ATOM 1017 O ASN A 771 0.754 65.253 26.886 1.00 22.96 O
+ATOM 1018 CB ASN A 771 2.681 66.753 28.879 1.00 24.82 C
+ATOM 1019 HB1 ASN A 771 2.816 66.999 29.932 1.00 0.00 H
+ATOM 1020 HB2 ASN A 771 2.977 65.718 28.708 1.00 0.00 H
+ATOM 1021 CG ASN A 771 3.605 67.677 28.034 1.00 27.47 C
+ATOM 1022 OD1 ASN A 771 4.157 67.261 27.002 1.00 25.80 O
+ATOM 1023 ND2 ASN A 771 3.749 68.934 28.473 1.00 25.48 N
+ATOM 1024 1HD2 ASN A 771 4.342 69.605 27.944 1.00 0.00 H
+ATOM 1025 2HD2 ASN A 771 3.268 69.239 29.343 1.00 0.00 H
+ATOM 1026 N PRO A 772 0.913 67.434 26.167 1.00 23.01 N
+ATOM 1027 CA PRO A 772 0.671 67.122 24.775 1.00 21.55 C
+ATOM 1028 HA PRO A 772 -0.286 66.616 24.643 1.00 0.00 H
+ATOM 1029 C PRO A 772 1.657 66.149 24.194 1.00 22.71 C
+ATOM 1030 O PRO A 772 1.330 65.502 23.179 1.00 22.76 O
+ATOM 1031 CB PRO A 772 0.732 68.470 24.083 1.00 22.44 C
+ATOM 1032 HB1 PRO A 772 1.727 68.638 23.671 1.00 0.00 H
+ATOM 1033 HB2 PRO A 772 -0.005 68.516 23.281 1.00 0.00 H
+ATOM 1034 CG PRO A 772 0.434 69.465 25.097 1.00 20.51 C
+ATOM 1035 HG1 PRO A 772 0.882 70.426 24.844 1.00 0.00 H
+ATOM 1036 HG2 PRO A 772 -0.642 69.588 25.219 1.00 0.00 H
+ATOM 1037 CD PRO A 772 1.067 68.882 26.367 1.00 23.15 C
+ATOM 1038 HD1 PRO A 772 0.537 69.215 27.259 1.00 0.00 H
+ATOM 1039 HD2 PRO A 772 2.118 69.159 26.446 1.00 0.00 H
+ATOM 1040 N HIS A 773 2.808 65.949 24.846 1.00 22.17 N
+ATOM 1041 H HIS A 773 3.010 66.471 25.722 1.00 0.00 H
+ATOM 1042 CA HIS A 773 3.796 64.976 24.310 1.00 23.11 C
+ATOM 1043 HA HIS A 773 3.336 64.542 23.422 1.00 0.00 H
+ATOM 1044 C HIS A 773 4.056 63.782 25.191 1.00 22.54 C
+ATOM 1045 O HIS A 773 5.115 63.173 25.127 1.00 21.76 O
+ATOM 1046 CB HIS A 773 5.120 65.712 23.885 1.00 22.32 C
+ATOM 1047 HB1 HIS A 773 5.578 66.156 24.769 1.00 0.00 H
+ATOM 1048 HB2 HIS A 773 5.805 64.985 23.449 1.00 0.00 H
+ATOM 1049 CG HIS A 773 4.851 66.794 22.879 1.00 24.95 C
+ATOM 1050 ND1 HIS A 773 4.481 66.519 21.561 1.00 26.83 N
+ATOM 1051 CD2 HIS A 773 4.767 68.144 23.021 1.00 20.40 C
+ATOM 1052 HD2 HIS A 773 4.928 68.710 23.938 1.00 0.00 H
+ATOM 1053 CE1 HIS A 773 4.241 67.663 20.931 1.00 22.24 C
+ATOM 1054 HE1 HIS A 773 3.933 67.767 19.891 1.00 0.00 H
+ATOM 1055 NE2 HIS A 773 4.441 68.660 21.788 1.00 24.96 N
+ATOM 1056 N VAL A 774 3.090 63.449 26.037 1.00 24.71 N
+ATOM 1057 H VAL A 774 2.264 64.074 26.131 1.00 0.00 H
+ATOM 1058 CA VAL A 774 3.151 62.220 26.848 1.00 25.68 C
+ATOM 1059 HA VAL A 774 4.004 61.591 26.595 1.00 0.00 H
+ATOM 1060 C VAL A 774 1.860 61.524 26.586 1.00 27.01 C
+ATOM 1061 O VAL A 774 0.856 62.189 26.338 1.00 28.74 O
+ATOM 1062 CB VAL A 774 3.293 62.575 28.318 1.00 25.80 C
+ATOM 1063 HB VAL A 774 2.410 63.115 28.659 1.00 0.00 H
+ATOM 1064 CG1 VAL A 774 3.457 61.309 29.083 1.00 27.23 C
+ATOM 1065 1HG1 VAL A 774 2.582 60.678 28.930 1.00 0.00 H
+ATOM 1066 2HG1 VAL A 774 4.348 60.787 28.733 1.00 0.00 H
+ATOM 1067 3HG1 VAL A 774 3.561 61.538 30.144 1.00 0.00 H
+ATOM 1068 CG2 VAL A 774 4.540 63.493 28.536 1.00 23.45 C
+ATOM 1069 1HG2 VAL A 774 5.437 62.969 28.207 1.00 0.00 H
+ATOM 1070 2HG2 VAL A 774 4.421 64.409 27.958 1.00 0.00 H
+ATOM 1071 3HG2 VAL A 774 4.628 63.739 29.594 1.00 0.00 H
+ATOM 1072 N CYS A 775 1.843 60.209 26.588 1.00 28.47 N
+ATOM 1073 H CYS A 775 2.728 59.704 26.796 1.00 0.00 H
+ATOM 1074 CA CYS A 775 0.628 59.413 26.309 0.50 28.95 C
+ATOM 1075 HA CYS A 775 0.323 59.604 25.280 1.00 0.00 H
+ATOM 1076 C CYS A 775 -0.481 59.807 27.264 1.00 29.65 C
+ATOM 1077 O CYS A 775 -0.210 60.189 28.348 1.00 29.47 O
+ATOM 1078 CB CYS A 775 0.921 57.916 26.505 0.50 28.79 C
+ATOM 1079 HB1 CYS A 775 1.707 57.618 25.812 1.00 0.00 H
+ATOM 1080 HB2 CYS A 775 0.015 57.349 26.290 1.00 0.00 H
+ATOM 1081 SG CYS A 775 1.458 57.542 28.193 0.50 30.43 S
+ATOM 1082 HG CYS A 775 0.466 57.906 29.081 1.00 0.00 H
+ATOM 1083 N ARG A 776 -1.719 59.642 26.834 1.00 30.96 N
+ATOM 1084 H ARG A 776 -1.849 59.255 25.877 1.00 0.00 H
+ATOM 1085 CA ARG A 776 -2.911 59.960 27.597 1.00 32.54 C
+ATOM 1086 HA ARG A 776 -2.617 60.503 28.495 1.00 0.00 H
+ATOM 1087 C ARG A 776 -3.655 58.679 28.009 1.00 31.77 C
+ATOM 1088 O ARG A 776 -4.188 57.975 27.145 1.00 32.38 O
+ATOM 1089 CB ARG A 776 -3.855 60.814 26.714 1.00 33.84 C
+ATOM 1090 HB1 ARG A 776 -3.249 61.578 26.228 1.00 0.00 H
+ATOM 1091 HB2 ARG A 776 -4.283 60.156 25.958 1.00 0.00 H
+ATOM 1092 CG ARG A 776 -4.995 61.511 27.410 1.00 36.95 C
+ATOM 1093 HG1 ARG A 776 -5.888 60.887 27.374 1.00 0.00 H
+ATOM 1094 HG2 ARG A 776 -4.731 61.705 28.450 1.00 0.00 H
+ATOM 1095 CD ARG A 776 -5.274 62.940 26.624 1.00 50.02 C
+ATOM 1096 HD1 ARG A 776 -5.092 62.807 25.558 1.00 0.00 H
+ATOM 1097 HD2 ARG A 776 -4.601 63.704 27.014 1.00 0.00 H
+ATOM 1098 NE ARG A 776 -6.675 63.368 26.833 1.00 51.40 N
+ATOM 1099 HE ARG A 776 -7.153 63.887 26.069 1.00 0.00 H
+ATOM 1100 CZ ARG A 776 -7.354 63.121 27.952 1.00 51.69 C
+ATOM 1101 NH1 ARG A 776 -6.739 62.506 28.972 1.00 52.91 N
+ATOM 1102 1HH1 ARG A 776 -5.741 62.227 28.885 1.00 0.00 H
+ATOM 1103 2HH1 ARG A 776 -7.260 62.308 29.850 1.00 0.00 H
+ATOM 1104 NH2 ARG A 776 -8.624 63.480 28.060 1.00 50.75 N
+ATOM 1105 1HH2 ARG A 776 -9.098 63.958 27.268 1.00 0.00 H
+ATOM 1106 2HH2 ARG A 776 -9.147 63.284 28.937 1.00 0.00 H
+ATOM 1107 N LEU A 777 -3.664 58.392 29.312 1.00 31.13 N
+ATOM 1108 H LEU A 777 -3.020 58.923 29.933 1.00 0.00 H
+ATOM 1109 CA LEU A 777 -4.540 57.357 29.933 1.00 30.86 C
+ATOM 1110 HA LEU A 777 -4.551 56.485 29.278 1.00 0.00 H
+ATOM 1111 C LEU A 777 -5.975 57.878 30.095 1.00 29.45 C
+ATOM 1112 O LEU A 777 -6.150 58.907 30.699 1.00 30.59 O
+ATOM 1113 CB LEU A 777 -3.992 56.976 31.313 1.00 28.78 C
+ATOM 1114 HB1 LEU A 777 -2.995 56.559 31.171 1.00 0.00 H
+ATOM 1115 HB2 LEU A 777 -3.922 57.888 31.906 1.00 0.00 H
+ATOM 1116 CG LEU A 777 -4.815 55.959 32.113 1.00 32.17 C
+ATOM 1117 HG LEU A 777 -5.829 56.358 32.125 1.00 0.00 H
+ATOM 1118 CD1 LEU A 777 -4.854 54.566 31.431 1.00 30.13 C
+ATOM 1119 1HD1 LEU A 777 -5.302 54.660 30.442 1.00 0.00 H
+ATOM 1120 2HD1 LEU A 777 -3.839 54.180 31.337 1.00 0.00 H
+ATOM 1121 3HD1 LEU A 777 -5.449 53.883 32.037 1.00 0.00 H
+ATOM 1122 CD2 LEU A 777 -4.345 55.827 33.627 1.00 31.69 C
+ATOM 1123 1HD2 LEU A 777 -3.304 55.506 33.656 1.00 0.00 H
+ATOM 1124 2HD2 LEU A 777 -4.442 56.793 34.122 1.00 0.00 H
+ATOM 1125 3HD2 LEU A 777 -4.968 55.092 34.137 1.00 0.00 H
+ATOM 1126 N LEU A 778 -6.982 57.201 29.583 1.00 28.32 N
+ATOM 1127 H LEU A 778 -6.804 56.359 28.999 1.00 0.00 H
+ATOM 1128 CA LEU A 778 -8.362 57.644 29.842 1.00 28.30 C
+ATOM 1129 HA LEU A 778 -8.359 58.717 30.035 1.00 0.00 H
+ATOM 1130 C LEU A 778 -8.911 56.974 31.100 1.00 28.41 C
+ATOM 1131 O LEU A 778 -9.567 57.601 31.891 1.00 28.88 O
+ATOM 1132 CB LEU A 778 -9.256 57.444 28.603 1.00 28.34 C
+ATOM 1133 HB1 LEU A 778 -9.418 56.380 28.428 1.00 0.00 H
+ATOM 1134 HB2 LEU A 778 -10.217 57.937 28.753 1.00 0.00 H
+ATOM 1135 CG LEU A 778 -8.523 58.071 27.402 1.00 30.16 C
+ATOM 1136 HG LEU A 778 -7.461 57.906 27.585 1.00 0.00 H
+ATOM 1137 CD1 LEU A 778 -8.858 57.441 26.171 1.00 30.11 C
+ATOM 1138 1HD1 LEU A 778 -8.586 56.387 26.218 1.00 0.00 H
+ATOM 1139 2HD1 LEU A 778 -9.930 57.534 25.997 1.00 0.00 H
+ATOM 1140 3HD1 LEU A 778 -8.314 57.922 25.358 1.00 0.00 H
+ATOM 1141 CD2 LEU A 778 -8.768 59.596 27.303 1.00 33.93 C
+ATOM 1142 1HD2 LEU A 778 -9.835 59.784 27.187 1.00 0.00 H
+ATOM 1143 2HD2 LEU A 778 -8.409 60.080 28.211 1.00 0.00 H
+ATOM 1144 3HD2 LEU A 778 -8.231 59.994 26.442 1.00 0.00 H
+ATOM 1145 N GLY A 779 -8.596 55.707 31.351 1.00 28.59 N
+ATOM 1146 H GLY A 779 -8.094 55.126 30.650 1.00 0.00 H
+ATOM 1147 CA GLY A 779 -8.976 55.173 32.627 1.00 28.18 C
+ATOM 1148 HA1 GLY A 779 -8.449 55.715 33.412 1.00 0.00 H
+ATOM 1149 HA2 GLY A 779 -10.051 55.296 32.760 1.00 0.00 H
+ATOM 1150 C GLY A 779 -8.633 53.716 32.721 1.00 29.75 C
+ATOM 1151 O GLY A 779 -7.878 53.169 31.891 1.00 30.23 O
+ATOM 1152 N ILE A 780 -9.161 53.078 33.763 1.00 29.92 N
+ATOM 1153 H ILE A 780 -9.720 53.601 34.467 1.00 0.00 H
+ATOM 1154 CA ILE A 780 -8.952 51.644 33.913 1.00 31.22 C
+ATOM 1155 HA ILE A 780 -8.470 51.263 33.012 1.00 0.00 H
+ATOM 1156 C ILE A 780 -10.272 50.998 34.088 1.00 30.85 C
+ATOM 1157 O ILE A 780 -11.250 51.645 34.419 1.00 30.85 O
+ATOM 1158 CB ILE A 780 -7.971 51.290 35.068 1.00 32.06 C
+ATOM 1159 HB ILE A 780 -7.935 50.204 35.152 1.00 0.00 H
+ATOM 1160 CG1 ILE A 780 -8.435 51.922 36.371 1.00 34.63 C
+ATOM 1161 1HG1 ILE A 780 -8.359 53.006 36.289 1.00 0.00 H
+ATOM 1162 2HG1 ILE A 780 -9.473 51.644 36.553 1.00 0.00 H
+ATOM 1163 CG2 ILE A 780 -6.605 51.878 34.773 1.00 31.17 C
+ATOM 1164 1HG2 ILE A 780 -6.228 51.466 33.837 1.00 0.00 H
+ATOM 1165 2HG2 ILE A 780 -6.688 52.961 34.687 1.00 0.00 H
+ATOM 1166 3HG2 ILE A 780 -5.921 51.628 35.584 1.00 0.00 H
+ATOM 1167 CD1 ILE A 780 -7.596 51.458 37.516 1.00 42.76 C
+ATOM 1168 1HD1 ILE A 780 -7.672 50.374 37.605 1.00 0.00 H
+ATOM 1169 2HD1 ILE A 780 -6.557 51.738 37.340 1.00 0.00 H
+ATOM 1170 3HD1 ILE A 780 -7.949 51.925 38.436 1.00 0.00 H
+ATOM 1171 N CYS A 781 -10.311 49.719 33.799 1.00 33.07 N
+ATOM 1172 H CYS A 781 -9.461 49.269 33.405 1.00 0.00 H
+ATOM 1173 CA CYS A 781 -11.512 48.899 34.012 1.00 34.26 C
+ATOM 1174 HA CYS A 781 -12.289 49.481 34.508 1.00 0.00 H
+ATOM 1175 C CYS A 781 -11.139 47.721 34.869 1.00 33.55 C
+ATOM 1176 O CYS A 781 -10.228 46.982 34.523 1.00 32.38 O
+ATOM 1177 CB CYS A 781 -12.043 48.417 32.653 1.00 35.61 C
+ATOM 1178 HB1 CYS A 781 -11.359 47.668 32.253 1.00 0.00 H
+ATOM 1179 HB2 CYS A 781 -12.089 49.266 31.971 1.00 0.00 H
+ATOM 1180 SG CYS A 781 -13.666 47.700 32.789 1.00 36.61 S
+ATOM 1181 HG CYS A 781 -14.543 48.642 33.286 1.00 0.00 H
+ATOM 1182 N LEU A 782 -11.816 47.577 36.000 1.00 36.59 N
+ATOM 1183 H LEU A 782 -12.605 48.229 36.186 1.00 0.00 H
+ATOM 1184 CA LEU A 782 -11.505 46.516 37.037 1.00 40.13 C
+ATOM 1185 HA LEU A 782 -10.452 46.288 36.874 1.00 0.00 H
+ATOM 1186 C LEU A 782 -12.297 45.244 36.854 1.00 42.08 C
+ATOM 1187 O LEU A 782 -12.900 44.703 37.745 1.00 44.33 O
+ATOM 1188 CB LEU A 782 -11.691 47.021 38.484 1.00 39.40 C
+ATOM 1189 HB1 LEU A 782 -12.609 47.607 38.516 1.00 0.00 H
+ATOM 1190 HB2 LEU A 782 -11.796 46.149 39.129 1.00 0.00 H
+ATOM 1191 CG LEU A 782 -10.570 47.884 39.049 1.00 41.28 C
+ATOM 1192 HG LEU A 782 -10.841 48.930 38.903 1.00 0.00 H
+ATOM 1193 CD1 LEU A 782 -10.364 47.648 40.609 1.00 43.69 C
+ATOM 1194 1HD1 LEU A 782 -11.285 47.896 41.137 1.00 0.00 H
+ATOM 1195 2HD1 LEU A 782 -10.112 46.603 40.787 1.00 0.00 H
+ATOM 1196 3HD1 LEU A 782 -9.555 48.284 40.968 1.00 0.00 H
+ATOM 1197 CD2 LEU A 782 -9.281 47.545 38.323 1.00 41.61 C
+ATOM 1198 1HD2 LEU A 782 -9.048 46.491 38.472 1.00 0.00 H
+ATOM 1199 2HD2 LEU A 782 -9.402 47.745 37.258 1.00 0.00 H
+ATOM 1200 3HD2 LEU A 782 -8.471 48.157 38.719 1.00 0.00 H
+ATOM 1201 N THR A 783 -12.262 44.772 35.654 1.00 45.18 N
+ATOM 1202 H THR A 783 -11.672 45.262 34.951 1.00 0.00 H
+ATOM 1203 CA THR A 783 -12.980 43.627 35.240 1.00 47.67 C
+ATOM 1204 HA THR A 783 -14.003 43.451 35.573 1.00 0.00 H
+ATOM 1205 C THR A 783 -12.062 42.529 35.770 1.00 49.84 C
+ATOM 1206 O THR A 783 -10.899 42.868 36.148 1.00 49.74 O
+ATOM 1207 CB THR A 783 -13.010 43.777 33.702 1.00 47.00 C
+ATOM 1208 HB THR A 783 -12.516 44.717 33.454 1.00 0.00 H
+ATOM 1209 OG1 THR A 783 -14.367 43.852 33.254 1.00 45.12 O
+ATOM 1210 HG1 THR A 783 -14.383 43.948 32.269 1.00 0.00 H
+ATOM 1211 CG2 THR A 783 -12.181 42.768 32.962 1.00 47.83 C
+ATOM 1212 1HG2 THR A 783 -12.619 41.778 33.088 1.00 0.00 H
+ATOM 1213 2HG2 THR A 783 -12.158 43.025 31.903 1.00 0.00 H
+ATOM 1214 3HG2 THR A 783 -11.166 42.771 33.360 1.00 0.00 H
+ATOM 1215 N SER A 784 -12.519 41.252 35.795 1.00 51.23 N
+ATOM 1216 H SER A 784 -13.469 41.036 35.431 1.00 0.00 H
+ATOM 1217 CA SER A 784 -11.664 40.150 36.343 1.00 52.82 C
+ATOM 1218 HA SER A 784 -11.744 40.250 37.425 1.00 0.00 H
+ATOM 1219 C SER A 784 -10.236 40.286 35.916 1.00 52.95 C
+ATOM 1220 O SER A 784 -9.302 40.120 36.685 1.00 53.96 O
+ATOM 1221 CB SER A 784 -12.144 38.765 35.938 1.00 53.01 C
+ATOM 1222 HB1 SER A 784 -12.639 38.293 36.787 1.00 0.00 H
+ATOM 1223 HB2 SER A 784 -11.288 38.161 35.637 1.00 0.00 H
+ATOM 1224 OG SER A 784 -13.043 38.857 34.871 1.00 56.33 O
+ATOM 1225 HG SER A 784 -13.347 37.949 34.618 1.00 0.00 H
+ATOM 1226 N THR A 785 -10.080 40.613 34.656 1.00 53.97 N
+ATOM 1227 H THR A 785 -10.922 40.675 34.049 1.00 0.00 H
+ATOM 1228 CA THR A 785 -8.765 40.895 34.067 1.00 54.25 C
+ATOM 1229 HA THR A 785 -7.922 40.594 34.689 1.00 0.00 H
+ATOM 1230 C THR A 785 -8.757 42.423 33.869 1.00 53.05 C
+ATOM 1231 O THR A 785 -9.688 42.992 33.275 1.00 53.21 O
+ATOM 1232 CB THR A 785 -8.582 40.069 32.735 1.00 53.77 C
+ATOM 1233 HB THR A 785 -8.300 39.049 32.996 1.00 0.00 H
+ATOM 1234 OG1 THR A 785 -7.562 40.660 31.929 1.00 56.28 O
+ATOM 1235 HG1 THR A 785 -7.455 40.135 31.097 1.00 0.00 H
+ATOM 1236 CG2 THR A 785 -9.875 40.057 31.953 1.00 54.53 C
+ATOM 1237 1HG2 THR A 785 -10.152 41.079 31.696 1.00 0.00 H
+ATOM 1238 2HG2 THR A 785 -9.741 39.476 31.041 1.00 0.00 H
+ATOM 1239 3HG2 THR A 785 -10.661 39.607 32.560 1.00 0.00 H
+ATOM 1240 N VAL A 786 -7.748 43.079 34.432 1.00 51.59 N
+ATOM 1241 H VAL A 786 -6.972 42.536 34.861 1.00 0.00 H
+ATOM 1242 CA VAL A 786 -7.695 44.533 34.467 1.00 50.07 C
+ATOM 1243 HA VAL A 786 -8.653 44.906 34.829 1.00 0.00 H
+ATOM 1244 C VAL A 786 -7.453 45.085 33.067 1.00 48.68 C
+ATOM 1245 O VAL A 786 -6.672 44.502 32.314 1.00 49.44 O
+ATOM 1246 CB VAL A 786 -6.610 45.006 35.419 1.00 50.19 C
+ATOM 1247 HB VAL A 786 -5.683 44.493 35.162 1.00 0.00 H
+ATOM 1248 CG1 VAL A 786 -6.383 46.516 35.304 1.00 50.35 C
+ATOM 1249 1HG1 VAL A 786 -6.080 46.760 34.286 1.00 0.00 H
+ATOM 1250 2HG1 VAL A 786 -7.308 47.041 35.545 1.00 0.00 H
+ATOM 1251 3HG1 VAL A 786 -5.600 46.818 36.000 1.00 0.00 H
+ATOM 1252 CG2 VAL A 786 -7.032 44.699 36.819 1.00 51.63 C
+ATOM 1253 1HG2 VAL A 786 -7.967 45.215 37.037 1.00 0.00 H
+ATOM 1254 2HG2 VAL A 786 -7.176 43.624 36.926 1.00 0.00 H
+ATOM 1255 3HG2 VAL A 786 -6.260 45.034 37.512 1.00 0.00 H
+ATOM 1256 N GLN A 787 -8.184 46.147 32.696 1.00 45.81 N
+ATOM 1257 H GLN A 787 -8.885 46.532 33.360 1.00 0.00 H
+ATOM 1258 CA GLN A 787 -8.025 46.788 31.374 1.00 42.71 C
+ATOM 1259 HA GLN A 787 -7.271 46.246 30.804 1.00 0.00 H
+ATOM 1260 C GLN A 787 -7.528 48.215 31.526 1.00 41.04 C
+ATOM 1261 O GLN A 787 -8.051 48.948 32.378 1.00 40.30 O
+ATOM 1262 CB GLN A 787 -9.322 46.717 30.600 1.00 40.54 C
+ATOM 1263 HB1 GLN A 787 -10.126 47.148 31.196 1.00 0.00 H
+ATOM 1264 HB2 GLN A 787 -9.222 47.275 29.669 1.00 0.00 H
+ATOM 1265 CG GLN A 787 -9.630 45.319 30.301 1.00 41.06 C
+ATOM 1266 HG1 GLN A 787 -8.830 44.911 29.683 1.00 0.00 H
+ATOM 1267 HG2 GLN A 787 -9.681 44.766 31.239 1.00 0.00 H
+ATOM 1268 CD GLN A 787 -10.953 45.143 29.561 1.00 45.50 C
+ATOM 1269 OE1 GLN A 787 -12.056 45.237 30.131 1.00 48.08 O
+ATOM 1270 NE2 GLN A 787 -10.849 44.863 28.287 1.00 46.57 N
+ATOM 1271 1HE2 GLN A 787 -11.705 44.711 27.716 1.00 0.00 H
+ATOM 1272 2HE2 GLN A 787 -9.910 44.793 27.845 1.00 0.00 H
+ATOM 1273 N LEU A 788 -6.471 48.571 30.777 1.00 39.45 N
+ATOM 1274 H LEU A 788 -5.921 47.826 30.303 1.00 0.00 H
+ATOM 1275 CA LEU A 788 -6.055 49.992 30.598 1.00 37.95 C
+ATOM 1276 HA LEU A 788 -6.475 50.515 31.457 1.00 0.00 H
+ATOM 1277 C LEU A 788 -6.581 50.564 29.325 1.00 36.62 C
+ATOM 1278 O LEU A 788 -6.370 49.983 28.268 1.00 35.65 O
+ATOM 1279 CB LEU A 788 -4.558 50.172 30.589 1.00 38.68 C
+ATOM 1280 HB1 LEU A 788 -4.173 49.567 29.768 1.00 0.00 H
+ATOM 1281 HB2 LEU A 788 -4.369 51.225 30.382 1.00 0.00 H
+ATOM 1282 CG LEU A 788 -3.737 49.811 31.827 1.00 38.54 C
+ATOM 1283 HG LEU A 788 -3.674 48.724 31.879 1.00 0.00 H
+ATOM 1284 CD1 LEU A 788 -2.409 50.434 31.702 1.00 34.89 C
+ATOM 1285 1HD1 LEU A 788 -1.916 50.059 30.805 1.00 0.00 H
+ATOM 1286 2HD1 LEU A 788 -2.522 51.516 31.631 1.00 0.00 H
+ATOM 1287 3HD1 LEU A 788 -1.809 50.187 32.578 1.00 0.00 H
+ATOM 1288 CD2 LEU A 788 -4.381 50.301 33.123 1.00 40.76 C
+ATOM 1289 1HD2 LEU A 788 -4.479 51.386 33.091 1.00 0.00 H
+ATOM 1290 2HD2 LEU A 788 -5.367 49.849 33.231 1.00 0.00 H
+ATOM 1291 3HD2 LEU A 788 -3.755 50.017 33.969 1.00 0.00 H
+ATOM 1292 N ILE A 789 -7.301 51.681 29.441 1.00 35.04 N
+ATOM 1293 H ILE A 789 -7.497 52.054 30.392 1.00 0.00 H
+ATOM 1294 CA ILE A 789 -7.828 52.404 28.275 1.00 32.51 C
+ATOM 1295 HA ILE A 789 -7.703 51.786 27.386 1.00 0.00 H
+ATOM 1296 C ILE A 789 -6.994 53.731 28.000 1.00 32.75 C
+ATOM 1297 O ILE A 789 -6.888 54.664 28.860 1.00 31.47 O
+ATOM 1298 CB ILE A 789 -9.344 52.642 28.420 1.00 32.92 C
+ATOM 1299 HB ILE A 789 -9.443 53.304 29.281 1.00 0.00 H
+ATOM 1300 CG1 ILE A 789 -10.111 51.305 28.633 1.00 35.93 C
+ATOM 1301 1HG1 ILE A 789 -11.104 51.401 28.194 1.00 0.00 H
+ATOM 1302 2HG1 ILE A 789 -9.567 50.508 28.127 1.00 0.00 H
+ATOM 1303 CG2 ILE A 789 -9.948 53.276 27.199 1.00 28.26 C
+ATOM 1304 1HG2 ILE A 789 -9.473 54.240 27.019 1.00 0.00 H
+ATOM 1305 2HG2 ILE A 789 -9.791 52.626 26.338 1.00 0.00 H
+ATOM 1306 3HG2 ILE A 789 -11.017 53.420 27.357 1.00 0.00 H
+ATOM 1307 CD1 ILE A 789 -10.261 50.938 30.072 1.00 36.09 C
+ATOM 1308 1HD1 ILE A 789 -9.274 50.829 30.522 1.00 0.00 H
+ATOM 1309 2HD1 ILE A 789 -10.813 51.722 30.590 1.00 0.00 H
+ATOM 1310 3HD1 ILE A 789 -10.804 49.996 30.151 1.00 0.00 H
+ATOM 1311 N MET A 790 -6.394 53.784 26.808 1.00 30.77 N
+ATOM 1312 H MET A 790 -6.529 53.001 26.137 1.00 0.00 H
+ATOM 1313 CA MET A 790 -5.559 54.906 26.425 1.00 31.11 C
+ATOM 1314 HA MET A 790 -5.649 55.656 27.210 1.00 0.00 H
+ATOM 1315 C MET A 790 -5.993 55.475 25.137 1.00 29.56 C
+ATOM 1316 O MET A 790 -6.769 54.843 24.420 1.00 29.77 O
+ATOM 1317 CB MET A 790 -4.133 54.471 26.276 1.00 30.51 C
+ATOM 1318 HB1 MET A 790 -4.031 53.838 25.394 1.00 0.00 H
+ATOM 1319 HB2 MET A 790 -3.490 55.345 26.171 1.00 0.00 H
+ATOM 1320 CG MET A 790 -3.748 53.705 27.494 1.00 36.60 C
+ATOM 1321 HG1 MET A 790 -4.103 52.679 27.404 1.00 0.00 H
+ATOM 1322 HG2 MET A 790 -4.199 54.169 28.371 1.00 0.00 H
+ATOM 1323 SD MET A 790 -1.990 53.704 27.670 1.00 42.46 S
+ATOM 1324 CE MET A 790 -1.741 55.495 27.935 1.00 40.90 C
+ATOM 1325 HE1 MET A 790 -2.110 56.044 27.069 1.00 0.00 H
+ATOM 1326 HE2 MET A 790 -2.286 55.809 28.825 1.00 0.00 H
+ATOM 1327 HE3 MET A 790 -0.678 55.697 28.069 1.00 0.00 H
+ATOM 1328 N GLN A 791 -5.480 56.656 24.828 1.00 27.57 N
+ATOM 1329 H GLN A 791 -4.892 57.158 25.523 1.00 0.00 H
+ATOM 1330 CA GLN A 791 -5.722 57.243 23.563 1.00 27.09 C
+ATOM 1331 HA GLN A 791 -6.792 57.354 23.388 1.00 0.00 H
+ATOM 1332 C GLN A 791 -5.173 56.335 22.449 1.00 27.30 C
+ATOM 1333 O GLN A 791 -4.061 55.793 22.541 1.00 26.64 O
+ATOM 1334 CB GLN A 791 -5.094 58.590 23.542 1.00 26.46 C
+ATOM 1335 HB1 GLN A 791 -5.558 59.201 24.317 1.00 0.00 H
+ATOM 1336 HB2 GLN A 791 -4.031 58.480 23.756 1.00 0.00 H
+ATOM 1337 CG GLN A 791 -5.245 59.287 22.236 1.00 30.35 C
+ATOM 1338 HG1 GLN A 791 -4.861 58.642 21.445 1.00 0.00 H
+ATOM 1339 HG2 GLN A 791 -6.303 59.484 22.061 1.00 0.00 H
+ATOM 1340 CD GLN A 791 -4.497 60.588 22.208 1.00 32.41 C
+ATOM 1341 OE1 GLN A 791 -3.516 60.769 22.962 1.00 35.11 O
+ATOM 1342 NE2 GLN A 791 -4.958 61.519 21.379 1.00 27.87 N
+ATOM 1343 1HE2 GLN A 791 -4.498 62.451 21.336 1.00 0.00 H
+ATOM 1344 2HE2 GLN A 791 -5.778 61.316 20.773 1.00 0.00 H
+ATOM 1345 N LEU A 792 -5.991 56.110 21.418 1.00 27.16 N
+ATOM 1346 H LEU A 792 -6.972 56.453 21.452 1.00 0.00 H
+ATOM 1347 CA LEU A 792 -5.511 55.378 20.231 1.00 27.09 C
+ATOM 1348 HA LEU A 792 -5.053 54.453 20.581 1.00 0.00 H
+ATOM 1349 C LEU A 792 -4.499 56.232 19.464 1.00 27.33 C
+ATOM 1350 O LEU A 792 -4.770 57.366 19.179 1.00 26.82 O
+ATOM 1351 CB LEU A 792 -6.659 55.057 19.281 1.00 25.92 C
+ATOM 1352 HB1 LEU A 792 -7.417 54.505 19.837 1.00 0.00 H
+ATOM 1353 HB2 LEU A 792 -7.082 55.998 18.929 1.00 0.00 H
+ATOM 1354 CG LEU A 792 -6.263 54.225 18.060 1.00 26.07 C
+ATOM 1355 HG LEU A 792 -5.480 54.777 17.540 1.00 0.00 H
+ATOM 1356 CD1 LEU A 792 -5.690 52.923 18.448 1.00 21.43 C
+ATOM 1357 1HD1 LEU A 792 -4.800 53.086 19.056 1.00 0.00 H
+ATOM 1358 2HD1 LEU A 792 -6.426 52.360 19.023 1.00 0.00 H
+ATOM 1359 3HD1 LEU A 792 -5.422 52.364 17.552 1.00 0.00 H
+ATOM 1360 CD2 LEU A 792 -7.432 54.064 17.067 1.00 24.63 C
+ATOM 1361 1HD2 LEU A 792 -8.264 53.565 17.565 1.00 0.00 H
+ATOM 1362 2HD2 LEU A 792 -7.751 55.047 16.721 1.00 0.00 H
+ATOM 1363 3HD2 LEU A 792 -7.105 53.466 16.216 1.00 0.00 H
+ATOM 1364 N MET A 793 -3.336 55.670 19.142 1.00 27.59 N
+ATOM 1365 H MET A 793 -3.134 54.709 19.484 1.00 0.00 H
+ATOM 1366 CA MET A 793 -2.344 56.341 18.337 1.00 27.99 C
+ATOM 1367 HA MET A 793 -2.601 57.389 18.181 1.00 0.00 H
+ATOM 1368 C MET A 793 -2.293 55.675 16.978 1.00 28.28 C
+ATOM 1369 O MET A 793 -1.602 54.690 16.814 1.00 29.07 O
+ATOM 1370 CB MET A 793 -0.994 56.319 19.069 1.00 28.52 C
+ATOM 1371 HB1 MET A 793 -0.677 55.283 19.188 1.00 0.00 H
+ATOM 1372 HB2 MET A 793 -0.261 56.855 18.466 1.00 0.00 H
+ATOM 1373 CG MET A 793 -1.067 56.986 20.481 1.00 27.19 C
+ATOM 1374 HG1 MET A 793 -0.099 56.877 20.970 1.00 0.00 H
+ATOM 1375 HG2 MET A 793 -1.830 56.477 21.070 1.00 0.00 H
+ATOM 1376 SD MET A 793 -1.483 58.766 20.392 1.00 29.40 S
+ATOM 1377 CE MET A 793 0.223 59.407 20.369 1.00 27.67 C
+ATOM 1378 HE1 MET A 793 0.738 59.097 21.278 1.00 0.00 H
+ATOM 1379 HE2 MET A 793 0.747 59.010 19.499 1.00 0.00 H
+ATOM 1380 HE3 MET A 793 0.200 60.495 20.316 1.00 0.00 H
+ATOM 1381 N PRO A 794 -3.051 56.199 16.000 1.00 29.23 N
+ATOM 1382 CA PRO A 794 -3.313 55.359 14.837 1.00 29.77 C
+ATOM 1383 HA PRO A 794 -3.771 54.412 15.122 1.00 0.00 H
+ATOM 1384 C PRO A 794 -2.031 54.881 14.092 1.00 31.69 C
+ATOM 1385 O PRO A 794 -2.010 53.748 13.552 1.00 33.63 O
+ATOM 1386 CB PRO A 794 -4.235 56.219 13.964 1.00 29.30 C
+ATOM 1387 HB1 PRO A 794 -3.666 56.695 13.165 1.00 0.00 H
+ATOM 1388 HB2 PRO A 794 -5.026 55.607 13.530 1.00 0.00 H
+ATOM 1389 CG PRO A 794 -4.822 57.263 14.886 1.00 28.77 C
+ATOM 1390 HG1 PRO A 794 -5.036 58.181 14.339 1.00 0.00 H
+ATOM 1391 HG2 PRO A 794 -5.738 56.895 15.348 1.00 0.00 H
+ATOM 1392 CD PRO A 794 -3.761 57.502 15.929 1.00 28.68 C
+ATOM 1393 HD1 PRO A 794 -4.208 57.756 16.890 1.00 0.00 H
+ATOM 1394 HD2 PRO A 794 -3.084 58.299 15.622 1.00 0.00 H
+ATOM 1395 N PHE A 795 -0.943 55.643 14.139 1.00 30.88 N
+ATOM 1396 H PHE A 795 -0.920 56.495 14.736 1.00 0.00 H
+ATOM 1397 CA PHE A 795 0.217 55.267 13.342 1.00 29.64 C
+ATOM 1398 HA PHE A 795 -0.163 54.647 12.530 1.00 0.00 H
+ATOM 1399 C PHE A 795 1.195 54.396 14.050 1.00 29.47 C
+ATOM 1400 O PHE A 795 2.258 54.123 13.507 1.00 28.67 O
+ATOM 1401 CB PHE A 795 0.883 56.506 12.752 1.00 29.35 C
+ATOM 1402 HB1 PHE A 795 1.145 57.181 13.567 1.00 0.00 H
+ATOM 1403 HB2 PHE A 795 1.790 56.198 12.231 1.00 0.00 H
+ATOM 1404 CG PHE A 795 -0.010 57.252 11.772 1.00 31.48 C
+ATOM 1405 CD1 PHE A 795 -0.889 58.237 12.223 1.00 29.39 C
+ATOM 1406 HD1 PHE A 795 -0.925 58.479 13.285 1.00 0.00 H
+ATOM 1407 CD2 PHE A 795 -0.006 56.913 10.374 1.00 31.65 C
+ATOM 1408 HD2 PHE A 795 0.646 56.114 10.021 1.00 0.00 H
+ATOM 1409 CE1 PHE A 795 -1.742 58.932 11.314 1.00 33.38 C
+ATOM 1410 HE1 PHE A 795 -2.429 59.693 11.684 1.00 0.00 H
+ATOM 1411 CE2 PHE A 795 -0.817 57.583 9.463 1.00 30.96 C
+ATOM 1412 HE2 PHE A 795 -0.788 57.315 8.407 1.00 0.00 H
+ATOM 1413 CZ PHE A 795 -1.695 58.630 9.917 1.00 31.15 C
+ATOM 1414 HZ PHE A 795 -2.313 59.182 9.209 1.00 0.00 H
+ATOM 1415 N GLY A 796 0.844 53.951 15.269 1.00 30.51 N
+ATOM 1416 H GLY A 796 -0.061 54.266 15.673 1.00 0.00 H
+ATOM 1417 CA GLY A 796 1.694 53.030 16.062 1.00 29.71 C
+ATOM 1418 HA1 GLY A 796 1.120 52.692 16.924 1.00 0.00 H
+ATOM 1419 HA2 GLY A 796 1.946 52.174 15.437 1.00 0.00 H
+ATOM 1420 C GLY A 796 2.989 53.652 16.565 1.00 30.55 C
+ATOM 1421 O GLY A 796 3.054 54.858 16.752 1.00 30.92 O
+ATOM 1422 N CYS A 797 4.017 52.841 16.811 1.00 31.02 N
+ATOM 1423 H CYS A 797 3.969 51.840 16.534 1.00 0.00 H
+ATOM 1424 CA CYS A 797 5.180 53.348 17.453 1.00 32.80 C
+ATOM 1425 HA CYS A 797 4.903 54.159 18.126 1.00 0.00 H
+ATOM 1426 C CYS A 797 6.144 53.896 16.399 1.00 33.68 C
+ATOM 1427 O CYS A 797 6.103 53.482 15.224 1.00 33.72 O
+ATOM 1428 CB CYS A 797 5.831 52.268 18.275 1.00 33.43 C
+ATOM 1429 HB1 CYS A 797 5.060 51.771 18.863 1.00 0.00 H
+ATOM 1430 HB2 CYS A 797 6.554 52.734 18.945 1.00 0.00 H
+ATOM 1431 SG CYS A 797 6.653 51.073 17.330 1.00 40.11 S
+ATOM 1432 HG CYS A 797 7.214 50.131 18.169 1.00 0.00 H
+ATOM 1433 N LEU A 798 6.985 54.824 16.825 1.00 33.13 N
+ATOM 1434 H LEU A 798 7.097 54.969 17.849 1.00 0.00 H
+ATOM 1435 CA LEU A 798 7.743 55.632 15.926 1.00 33.46 C
+ATOM 1436 HA LEU A 798 7.106 55.968 15.108 1.00 0.00 H
+ATOM 1437 C LEU A 798 8.906 54.802 15.311 1.00 34.88 C
+ATOM 1438 O LEU A 798 9.357 55.103 14.182 1.00 33.78 O
+ATOM 1439 CB LEU A 798 8.269 56.860 16.667 1.00 32.57 C
+ATOM 1440 HB1 LEU A 798 7.406 57.354 17.113 1.00 0.00 H
+ATOM 1441 HB2 LEU A 798 8.925 56.495 17.457 1.00 0.00 H
+ATOM 1442 CG LEU A 798 9.051 57.936 15.901 1.00 30.58 C
+ATOM 1443 HG LEU A 798 9.976 57.517 15.505 1.00 0.00 H
+ATOM 1444 CD1 LEU A 798 8.191 58.437 14.748 1.00 26.16 C
+ATOM 1445 1HD1 LEU A 798 7.956 57.605 14.083 1.00 0.00 H
+ATOM 1446 2HD1 LEU A 798 7.267 58.860 15.143 1.00 0.00 H
+ATOM 1447 3HD1 LEU A 798 8.736 59.202 14.196 1.00 0.00 H
+ATOM 1448 CD2 LEU A 798 9.417 59.088 16.846 1.00 27.53 C
+ATOM 1449 1HD2 LEU A 798 8.506 59.526 17.253 1.00 0.00 H
+ATOM 1450 2HD2 LEU A 798 10.033 58.706 17.660 1.00 0.00 H
+ATOM 1451 3HD2 LEU A 798 9.972 59.847 16.294 1.00 0.00 H
+ATOM 1452 N LEU A 799 9.370 53.753 16.016 1.00 35.08 N
+ATOM 1453 H LEU A 799 8.989 53.546 16.961 1.00 0.00 H
+ATOM 1454 CA LEU A 799 10.421 52.903 15.435 1.00 35.85 C
+ATOM 1455 HA LEU A 799 11.262 53.546 15.176 1.00 0.00 H
+ATOM 1456 C LEU A 799 9.913 52.221 14.153 1.00 37.07 C
+ATOM 1457 O LEU A 799 10.551 52.301 13.121 1.00 37.05 O
+ATOM 1458 CB LEU A 799 10.931 51.886 16.424 1.00 34.65 C
+ATOM 1459 HB1 LEU A 799 11.337 52.434 17.274 1.00 0.00 H
+ATOM 1460 HB2 LEU A 799 10.077 51.292 16.750 1.00 0.00 H
+ATOM 1461 CG LEU A 799 12.017 50.906 15.948 1.00 36.52 C
+ATOM 1462 HG LEU A 799 11.656 50.367 15.072 1.00 0.00 H
+ATOM 1463 CD1 LEU A 799 13.301 51.682 15.522 1.00 32.92 C
+ATOM 1464 1HD1 LEU A 799 13.058 52.366 14.709 1.00 0.00 H
+ATOM 1465 2HD1 LEU A 799 13.681 52.248 16.373 1.00 0.00 H
+ATOM 1466 3HD1 LEU A 799 14.059 50.973 15.188 1.00 0.00 H
+ATOM 1467 CD2 LEU A 799 12.316 49.865 17.057 1.00 29.52 C
+ATOM 1468 1HD2 LEU A 799 12.665 50.380 17.952 1.00 0.00 H
+ATOM 1469 2HD2 LEU A 799 11.407 49.309 17.287 1.00 0.00 H
+ATOM 1470 3HD2 LEU A 799 13.086 49.176 16.709 1.00 0.00 H
+ATOM 1471 N ASP A 800 8.740 51.612 14.212 1.00 37.80 N
+ATOM 1472 H ASP A 800 8.200 51.628 15.101 1.00 0.00 H
+ATOM 1473 CA ASP A 800 8.199 50.928 13.069 1.00 38.94 C
+ATOM 1474 HA ASP A 800 8.941 50.209 12.723 1.00 0.00 H
+ATOM 1475 C ASP A 800 7.868 51.946 12.037 1.00 39.24 C
+ATOM 1476 O ASP A 800 7.921 51.641 10.847 1.00 39.66 O
+ATOM 1477 CB ASP A 800 6.916 50.175 13.404 1.00 40.10 C
+ATOM 1478 HB1 ASP A 800 6.297 50.807 14.041 1.00 0.00 H
+ATOM 1479 HB2 ASP A 800 6.384 49.963 12.477 1.00 0.00 H
+ATOM 1480 CG ASP A 800 7.182 48.832 14.143 1.00 46.84 C
+ATOM 1481 OD1 ASP A 800 6.208 48.015 14.281 1.00 55.91 O
+ATOM 1482 OD2 ASP A 800 8.330 48.572 14.599 1.00 49.22 O
+ATOM 1483 N TYR A 801 7.506 53.154 12.468 1.00 38.10 N
+ATOM 1484 H TYR A 801 7.555 53.383 13.481 1.00 0.00 H
+ATOM 1485 CA TYR A 801 7.044 54.146 11.521 1.00 36.51 C
+ATOM 1486 HA TYR A 801 6.350 53.678 10.823 1.00 0.00 H
+ATOM 1487 C TYR A 801 8.255 54.699 10.706 1.00 35.90 C
+ATOM 1488 O TYR A 801 8.120 54.936 9.513 1.00 36.17 O
+ATOM 1489 CB TYR A 801 6.272 55.265 12.230 1.00 36.75 C
+ATOM 1490 HB1 TYR A 801 5.442 54.821 12.780 1.00 0.00 H
+ATOM 1491 HB2 TYR A 801 6.944 55.763 12.929 1.00 0.00 H
+ATOM 1492 CG TYR A 801 5.713 56.309 11.263 1.00 36.52 C
+ATOM 1493 CD1 TYR A 801 6.511 57.364 10.802 1.00 37.86 C
+ATOM 1494 HD1 TYR A 801 7.543 57.436 11.145 1.00 0.00 H
+ATOM 1495 CD2 TYR A 801 4.419 56.253 10.844 1.00 35.10 C
+ATOM 1496 HD2 TYR A 801 3.772 55.463 11.224 1.00 0.00 H
+ATOM 1497 CE1 TYR A 801 6.026 58.320 9.922 1.00 39.25 C
+ATOM 1498 HE1 TYR A 801 6.661 59.134 9.574 1.00 0.00 H
+ATOM 1499 CE2 TYR A 801 3.908 57.168 9.954 1.00 38.01 C
+ATOM 1500 HE2 TYR A 801 2.879 57.077 9.607 1.00 0.00 H
+ATOM 1501 CZ TYR A 801 4.709 58.211 9.497 1.00 40.49 C
+ATOM 1502 OH TYR A 801 4.196 59.139 8.614 1.00 42.60 O
+ATOM 1503 HH TYR A 801 4.895 59.805 8.395 1.00 0.00 H
+ATOM 1504 N VAL A 802 9.420 54.885 11.319 1.00 33.30 N
+ATOM 1505 H VAL A 802 9.521 54.732 12.343 1.00 0.00 H
+ATOM 1506 CA VAL A 802 10.520 55.299 10.526 1.00 33.02 C
+ATOM 1507 HA VAL A 802 10.147 56.079 9.863 1.00 0.00 H
+ATOM 1508 C VAL A 802 11.025 54.103 9.687 1.00 34.48 C
+ATOM 1509 O VAL A 802 11.482 54.276 8.563 1.00 34.33 O
+ATOM 1510 CB VAL A 802 11.682 56.041 11.302 1.00 31.19 C
+ATOM 1511 HB VAL A 802 12.375 56.442 10.563 1.00 0.00 H
+ATOM 1512 CG1 VAL A 802 11.147 57.220 12.111 1.00 28.79 C
+ATOM 1513 1HG1 VAL A 802 10.669 57.933 11.439 1.00 0.00 H
+ATOM 1514 2HG1 VAL A 802 10.420 56.860 12.838 1.00 0.00 H
+ATOM 1515 3HG1 VAL A 802 11.972 57.706 12.631 1.00 0.00 H
+ATOM 1516 CG2 VAL A 802 12.416 55.108 12.149 1.00 32.00 C
+ATOM 1517 1HG2 VAL A 802 11.734 54.665 12.875 1.00 0.00 H
+ATOM 1518 2HG2 VAL A 802 12.851 54.323 11.531 1.00 0.00 H
+ATOM 1519 3HG2 VAL A 802 13.210 55.641 12.672 1.00 0.00 H
+ATOM 1520 N ARG A 803 10.922 52.887 10.214 1.00 35.34 N
+ATOM 1521 H ARG A 803 10.605 52.765 11.197 1.00 0.00 H
+ATOM 1522 CA ARG A 803 11.258 51.728 9.400 1.00 35.42 C
+ATOM 1523 HA ARG A 803 12.269 51.922 9.041 1.00 0.00 H
+ATOM 1524 C ARG A 803 10.414 51.578 8.155 1.00 37.00 C
+ATOM 1525 O ARG A 803 10.960 51.273 7.116 1.00 39.00 O
+ATOM 1526 CB ARG A 803 11.294 50.457 10.208 1.00 34.25 C
+ATOM 1527 HB1 ARG A 803 10.474 50.466 10.927 1.00 0.00 H
+ATOM 1528 HB2 ARG A 803 11.180 49.604 9.539 1.00 0.00 H
+ATOM 1529 CG ARG A 803 12.593 50.336 10.944 1.00 31.88 C
+ATOM 1530 HG1 ARG A 803 13.373 49.994 10.264 1.00 0.00 H
+ATOM 1531 HG2 ARG A 803 12.874 51.303 11.360 1.00 0.00 H
+ATOM 1532 CD ARG A 803 12.412 49.359 12.029 1.00 32.41 C
+ATOM 1533 HD1 ARG A 803 12.177 48.388 11.594 1.00 0.00 H
+ATOM 1534 HD2 ARG A 803 11.585 49.682 12.661 1.00 0.00 H
+ATOM 1535 NE ARG A 803 13.609 49.232 12.848 1.00 31.88 N
+ATOM 1536 HE ARG A 803 14.410 49.878 12.701 1.00 0.00 H
+ATOM 1537 CZ ARG A 803 13.677 48.305 13.769 1.00 32.92 C
+ATOM 1538 NH1 ARG A 803 12.631 47.526 13.897 1.00 34.87 N
+ATOM 1539 1HH1 ARG A 803 11.803 47.662 13.283 1.00 0.00 H
+ATOM 1540 2HH1 ARG A 803 12.629 46.772 14.613 1.00 0.00 H
+ATOM 1541 NH2 ARG A 803 14.740 48.142 14.536 1.00 30.31 N
+ATOM 1542 1HH2 ARG A 803 15.565 48.764 14.420 1.00 0.00 H
+ATOM 1543 2HH2 ARG A 803 14.751 47.392 15.256 1.00 0.00 H
+ATOM 1544 N GLU A 804 9.119 51.863 8.228 1.00 37.89 N
+ATOM 1545 H GLU A 804 8.769 52.343 9.082 1.00 0.00 H
+ATOM 1546 CA GLU A 804 8.167 51.542 7.183 1.00 38.74 C
+ATOM 1547 HA GLU A 804 8.560 50.670 6.660 1.00 0.00 H
+ATOM 1548 C GLU A 804 8.015 52.663 6.169 1.00 39.88 C
+ATOM 1549 O GLU A 804 7.378 52.494 5.112 1.00 40.44 O
+ATOM 1550 CB GLU A 804 6.779 51.215 7.797 1.00 37.46 C
+ATOM 1551 HB1 GLU A 804 6.872 50.361 8.468 1.00 0.00 H
+ATOM 1552 HB2 GLU A 804 6.417 52.079 8.355 1.00 0.00 H
+ATOM 1553 N HIS A 805 8.524 53.829 6.511 1.00 40.21 N
+ATOM 1554 H HIS A 805 9.129 53.905 7.353 1.00 0.00 H
+ATOM 1555 CA HIS A 805 8.244 54.997 5.721 1.00 40.82 C
+ATOM 1556 HA HIS A 805 7.794 54.646 4.792 1.00 0.00 H
+ATOM 1557 C HIS A 805 9.517 55.771 5.426 1.00 42.11 C
+ATOM 1558 O HIS A 805 9.409 56.893 5.038 1.00 42.34 O
+ATOM 1559 CB HIS A 805 7.273 55.939 6.442 1.00 41.05 C
+ATOM 1560 HB1 HIS A 805 7.658 56.112 7.447 1.00 0.00 H
+ATOM 1561 HB2 HIS A 805 7.252 56.882 5.895 1.00 0.00 H
+ATOM 1562 CG HIS A 805 5.862 55.446 6.567 1.00 40.83 C
+ATOM 1563 ND1 HIS A 805 5.394 54.792 7.691 1.00 46.68 N
+ATOM 1564 CD2 HIS A 805 4.796 55.589 5.748 1.00 39.68 C
+ATOM 1565 HD2 HIS A 805 4.784 56.102 4.786 1.00 0.00 H
+ATOM 1566 CE1 HIS A 805 4.114 54.492 7.523 1.00 44.27 C
+ATOM 1567 HE1 HIS A 805 3.486 53.947 8.227 1.00 0.00 H
+ATOM 1568 NE2 HIS A 805 3.734 54.970 6.351 1.00 42.54 N
+ATOM 1569 N LYS A 806 10.701 55.172 5.564 1.00 44.68 N
+ATOM 1570 H LYS A 806 10.727 54.179 5.871 1.00 0.00 H
+ATOM 1571 CA LYS A 806 11.978 55.869 5.297 1.00 48.88 C
+ATOM 1572 HA LYS A 806 11.981 56.604 6.102 1.00 0.00 H
+ATOM 1573 C LYS A 806 12.086 56.701 3.997 1.00 51.06 C
+ATOM 1574 O LYS A 806 12.678 57.804 3.970 1.00 52.65 O
+ATOM 1575 CB LYS A 806 13.188 54.939 5.400 1.00 48.53 C
+ATOM 1576 HB1 LYS A 806 14.072 55.526 5.150 1.00 0.00 H
+ATOM 1577 HB2 LYS A 806 13.256 54.606 6.436 1.00 0.00 H
+ATOM 1578 CG LYS A 806 13.202 53.711 4.530 1.00 50.95 C
+ATOM 1579 HG1 LYS A 806 12.229 53.224 4.588 1.00 0.00 H
+ATOM 1580 HG2 LYS A 806 13.397 54.008 3.500 1.00 0.00 H
+ATOM 1581 CD LYS A 806 14.318 52.689 4.991 1.00 54.85 C
+ATOM 1582 HD1 LYS A 806 13.947 51.675 4.845 1.00 0.00 H
+ATOM 1583 HD2 LYS A 806 15.207 52.841 4.380 1.00 0.00 H
+ATOM 1584 CE LYS A 806 14.709 52.875 6.517 1.00 58.55 C
+ATOM 1585 HE1 LYS A 806 13.867 53.375 6.996 1.00 0.00 H
+ATOM 1586 HE2 LYS A 806 15.579 53.531 6.538 1.00 0.00 H
+ATOM 1587 NZ LYS A 806 15.058 51.643 7.405 1.00 57.88 N
+ATOM 1588 HZ1 LYS A 806 14.242 50.999 7.438 1.00 0.00 H
+ATOM 1589 HZ2 LYS A 806 15.878 51.147 7.001 1.00 0.00 H
+ATOM 1590 HZ3 LYS A 806 15.286 51.964 8.367 1.00 0.00 H
+ATOM 1591 N ASP A 807 11.516 56.184 2.917 1.00 52.22 N
+ATOM 1592 H ASP A 807 10.960 55.308 2.996 1.00 0.00 H
+ATOM 1593 CA ASP A 807 11.663 56.836 1.615 1.00 52.66 C
+ATOM 1594 HA ASP A 807 12.686 57.155 1.415 1.00 0.00 H
+ATOM 1595 C ASP A 807 10.794 58.072 1.623 1.00 51.60 C
+ATOM 1596 O ASP A 807 10.859 58.926 0.747 1.00 52.49 O
+ATOM 1597 CB ASP A 807 11.304 55.833 0.521 1.00 53.27 C
+ATOM 1598 HB1 ASP A 807 10.229 55.654 0.546 1.00 0.00 H
+ATOM 1599 HB2 ASP A 807 11.579 56.253 -0.447 1.00 0.00 H
+ATOM 1600 CG ASP A 807 12.054 54.462 0.713 1.00 57.04 C
+ATOM 1601 OD1 ASP A 807 13.213 54.481 1.231 1.00 57.34 O
+ATOM 1602 OD2 ASP A 807 11.493 53.369 0.363 1.00 60.42 O
+ATOM 1603 N ASN A 808 10.019 58.219 2.678 1.00 50.11 N
+ATOM 1604 H ASN A 808 10.047 57.537 3.463 1.00 0.00 H
+ATOM 1605 CA ASN A 808 9.126 59.360 2.712 1.00 48.83 C
+ATOM 1606 HA ASN A 808 9.383 59.957 1.837 1.00 0.00 H
+ATOM 1607 C ASN A 808 9.312 60.361 3.863 1.00 45.71 C
+ATOM 1608 O ASN A 808 8.530 61.322 3.996 1.00 45.25 O
+ATOM 1609 CB ASN A 808 7.705 58.850 2.665 1.00 50.50 C
+ATOM 1610 HB1 ASN A 808 7.722 57.769 2.527 1.00 0.00 H
+ATOM 1611 HB2 ASN A 808 7.214 59.087 3.609 1.00 0.00 H
+ATOM 1612 CG ASN A 808 6.936 59.463 1.557 1.00 55.97 C
+ATOM 1613 OD1 ASN A 808 5.706 59.668 1.675 1.00 62.73 O
+ATOM 1614 ND2 ASN A 808 7.643 59.794 0.454 1.00 58.67 N
+ATOM 1615 1HD2 ASN A 808 7.166 60.243 -0.354 1.00 0.00 H
+ATOM 1616 2HD2 ASN A 808 8.664 59.599 0.413 1.00 0.00 H
+ATOM 1617 N ILE A 809 10.347 60.159 4.673 1.00 42.04 N
+ATOM 1618 H ILE A 809 11.022 59.390 4.488 1.00 0.00 H
+ATOM 1619 CA ILE A 809 10.518 61.037 5.827 1.00 40.65 C
+ATOM 1620 HA ILE A 809 9.520 61.426 6.030 1.00 0.00 H
+ATOM 1621 C ILE A 809 11.492 62.152 5.513 1.00 37.57 C
+ATOM 1622 O ILE A 809 12.642 61.892 5.198 1.00 37.44 O
+ATOM 1623 CB ILE A 809 11.013 60.315 7.108 1.00 40.57 C
+ATOM 1624 HB ILE A 809 12.084 60.128 7.036 1.00 0.00 H
+ATOM 1625 CG1 ILE A 809 10.370 58.929 7.256 1.00 40.77 C
+ATOM 1626 1HG1 ILE A 809 10.000 58.636 6.274 1.00 0.00 H
+ATOM 1627 2HG1 ILE A 809 11.154 58.239 7.568 1.00 0.00 H
+ATOM 1628 CG2 ILE A 809 10.783 61.188 8.269 1.00 41.90 C
+ATOM 1629 1HG2 ILE A 809 11.333 62.120 8.136 1.00 0.00 H
+ATOM 1630 2HG2 ILE A 809 9.718 61.402 8.356 1.00 0.00 H
+ATOM 1631 3HG2 ILE A 809 11.129 60.687 9.173 1.00 0.00 H
+ATOM 1632 CD1 ILE A 809 9.276 58.789 8.188 1.00 38.78 C
+ATOM 1633 1HD1 ILE A 809 9.617 59.054 9.189 1.00 0.00 H
+ATOM 1634 2HD1 ILE A 809 8.462 59.451 7.893 1.00 0.00 H
+ATOM 1635 3HD1 ILE A 809 8.926 57.757 8.183 1.00 0.00 H
+ATOM 1636 N GLY A 810 11.043 63.393 5.609 1.00 35.01 N
+ATOM 1637 H GLY A 810 10.040 63.576 5.814 1.00 0.00 H
+ATOM 1638 CA GLY A 810 11.970 64.497 5.424 1.00 33.31 C
+ATOM 1639 HA1 GLY A 810 12.751 64.172 4.737 1.00 0.00 H
+ATOM 1640 HA2 GLY A 810 11.422 65.329 4.981 1.00 0.00 H
+ATOM 1641 C GLY A 810 12.639 64.996 6.701 1.00 32.52 C
+ATOM 1642 O GLY A 810 12.257 64.615 7.807 1.00 33.02 O
+ATOM 1643 N SER A 811 13.606 65.906 6.541 1.00 30.82 N
+ATOM 1644 H SER A 811 13.859 66.207 5.578 1.00 0.00 H
+ATOM 1645 CA SER A 811 14.296 66.472 7.637 1.00 29.28 C
+ATOM 1646 HA SER A 811 14.711 65.656 8.228 1.00 0.00 H
+ATOM 1647 C SER A 811 13.380 67.234 8.576 1.00 29.34 C
+ATOM 1648 O SER A 811 13.616 67.234 9.784 1.00 29.85 O
+ATOM 1649 CB SER A 811 15.423 67.336 7.136 1.00 29.02 C
+ATOM 1650 HB1 SER A 811 16.105 66.740 6.529 1.00 0.00 H
+ATOM 1651 HB2 SER A 811 15.967 67.761 7.980 1.00 0.00 H
+ATOM 1652 OG SER A 811 14.878 68.349 6.371 1.00 27.29 O
+ATOM 1653 HG SER A 811 14.384 67.956 5.609 1.00 0.00 H
+ATOM 1654 N GLN A 812 12.375 67.919 8.047 1.00 29.11 N
+ATOM 1655 H GLN A 812 12.252 67.936 7.014 1.00 0.00 H
+ATOM 1656 CA GLN A 812 11.438 68.650 8.899 1.00 30.54 C
+ATOM 1657 HA GLN A 812 12.029 69.414 9.404 1.00 0.00 H
+ATOM 1658 C GLN A 812 10.768 67.726 9.965 1.00 30.66 C
+ATOM 1659 O GLN A 812 10.604 68.112 11.105 1.00 31.27 O
+ATOM 1660 CB GLN A 812 10.340 69.294 8.083 1.00 30.27 C
+ATOM 1661 HB1 GLN A 812 10.804 69.833 7.257 1.00 0.00 H
+ATOM 1662 HB2 GLN A 812 9.703 68.503 7.687 1.00 0.00 H
+ATOM 1663 CG GLN A 812 9.459 70.271 8.850 1.00 37.32 C
+ATOM 1664 HG1 GLN A 812 8.637 70.572 8.201 1.00 0.00 H
+ATOM 1665 HG2 GLN A 812 9.060 69.757 9.725 1.00 0.00 H
+ATOM 1666 CD GLN A 812 10.215 71.588 9.344 1.00 47.69 C
+ATOM 1667 OE1 GLN A 812 10.354 72.586 8.570 1.00 48.94 O
+ATOM 1668 NE2 GLN A 812 10.663 71.595 10.645 1.00 42.98 N
+ATOM 1669 1HE2 GLN A 812 11.135 72.439 11.028 1.00 0.00 H
+ATOM 1670 2HE2 GLN A 812 10.529 70.757 11.246 1.00 0.00 H
+ATOM 1671 N TYR A 813 10.356 66.534 9.588 1.00 30.11 N
+ATOM 1672 H TYR A 813 10.504 66.214 8.609 1.00 0.00 H
+ATOM 1673 CA TYR A 813 9.717 65.699 10.514 1.00 30.15 C
+ATOM 1674 HA TYR A 813 8.961 66.308 11.010 1.00 0.00 H
+ATOM 1675 C TYR A 813 10.700 65.132 11.506 1.00 29.39 C
+ATOM 1676 O TYR A 813 10.390 65.032 12.679 1.00 28.32 O
+ATOM 1677 CB TYR A 813 9.125 64.520 9.825 1.00 32.63 C
+ATOM 1678 HB1 TYR A 813 9.856 64.134 9.114 1.00 0.00 H
+ATOM 1679 HB2 TYR A 813 8.910 63.757 10.573 1.00 0.00 H
+ATOM 1680 CG TYR A 813 7.879 64.818 9.094 1.00 37.52 C
+ATOM 1681 CD1 TYR A 813 6.690 64.793 9.736 1.00 43.88 C
+ATOM 1682 HD1 TYR A 813 6.666 64.577 10.804 1.00 0.00 H
+ATOM 1683 CD2 TYR A 813 7.899 65.067 7.715 1.00 46.57 C
+ATOM 1684 HD2 TYR A 813 8.847 65.054 7.177 1.00 0.00 H
+ATOM 1685 CE1 TYR A 813 5.508 65.034 9.071 1.00 48.52 C
+ATOM 1686 HE1 TYR A 813 4.558 65.018 9.605 1.00 0.00 H
+ATOM 1687 CE2 TYR A 813 6.751 65.324 7.045 1.00 51.69 C
+ATOM 1688 HE2 TYR A 813 6.771 65.552 5.979 1.00 0.00 H
+ATOM 1689 CZ TYR A 813 5.547 65.292 7.738 1.00 51.62 C
+ATOM 1690 OH TYR A 813 4.353 65.533 7.091 1.00 56.91 O
+ATOM 1691 HH TYR A 813 3.608 65.468 7.740 1.00 0.00 H
+ATOM 1692 N LEU A 814 11.851 64.687 11.030 1.00 27.31 N
+ATOM 1693 H LEU A 814 12.046 64.703 10.009 1.00 0.00 H
+ATOM 1694 CA LEU A 814 12.827 64.180 11.956 1.00 27.10 C
+ATOM 1695 HA LEU A 814 12.413 63.294 12.438 1.00 0.00 H
+ATOM 1696 C LEU A 814 13.135 65.215 13.090 1.00 26.87 C
+ATOM 1697 O LEU A 814 13.190 64.886 14.261 1.00 27.09 O
+ATOM 1698 CB LEU A 814 14.099 63.774 11.212 1.00 25.36 C
+ATOM 1699 HB1 LEU A 814 14.353 64.555 10.496 1.00 0.00 H
+ATOM 1700 HB2 LEU A 814 14.910 63.667 11.933 1.00 0.00 H
+ATOM 1701 CG LEU A 814 13.928 62.457 10.464 1.00 26.29 C
+ATOM 1702 HG LEU A 814 12.991 62.496 9.908 1.00 0.00 H
+ATOM 1703 CD1 LEU A 814 15.134 62.290 9.574 1.00 26.44 C
+ATOM 1704 1HD1 LEU A 814 15.186 63.125 8.875 1.00 0.00 H
+ATOM 1705 2HD1 LEU A 814 16.036 62.270 10.186 1.00 0.00 H
+ATOM 1706 3HD1 LEU A 814 15.048 61.355 9.020 1.00 0.00 H
+ATOM 1707 CD2 LEU A 814 13.851 61.233 11.412 1.00 25.38 C
+ATOM 1708 1HD2 LEU A 814 14.770 61.168 11.995 1.00 0.00 H
+ATOM 1709 2HD2 LEU A 814 13.000 61.348 12.083 1.00 0.00 H
+ATOM 1710 3HD2 LEU A 814 13.729 60.325 10.822 1.00 0.00 H
+ATOM 1711 N LEU A 815 13.310 66.466 12.727 1.00 26.44 N
+ATOM 1712 H LEU A 815 13.163 66.733 11.733 1.00 0.00 H
+ATOM 1713 CA LEU A 815 13.697 67.462 13.667 1.00 26.79 C
+ATOM 1714 HA LEU A 815 14.489 67.091 14.318 1.00 0.00 H
+ATOM 1715 C LEU A 815 12.497 67.805 14.562 1.00 26.97 C
+ATOM 1716 O LEU A 815 12.697 68.030 15.757 1.00 28.66 O
+ATOM 1717 CB LEU A 815 14.279 68.685 12.929 1.00 25.71 C
+ATOM 1718 HB1 LEU A 815 13.585 68.979 12.142 1.00 0.00 H
+ATOM 1719 HB2 LEU A 815 14.386 69.503 13.641 1.00 0.00 H
+ATOM 1720 CG LEU A 815 15.661 68.402 12.290 1.00 25.61 C
+ATOM 1721 HG LEU A 815 15.494 67.505 11.693 1.00 0.00 H
+ATOM 1722 CD1 LEU A 815 16.146 69.553 11.360 1.00 20.13 C
+ATOM 1723 1HD1 LEU A 815 15.428 69.692 10.552 1.00 0.00 H
+ATOM 1724 2HD1 LEU A 815 16.229 70.474 11.937 1.00 0.00 H
+ATOM 1725 3HD1 LEU A 815 17.119 69.295 10.943 1.00 0.00 H
+ATOM 1726 CD2 LEU A 815 16.782 68.101 13.339 1.00 21.96 C
+ATOM 1727 1HD2 LEU A 815 16.897 68.958 14.002 1.00 0.00 H
+ATOM 1728 2HD2 LEU A 815 16.505 67.223 13.923 1.00 0.00 H
+ATOM 1729 3HD2 LEU A 815 17.722 67.912 12.820 1.00 0.00 H
+ATOM 1730 N ASN A 816 11.277 67.856 14.016 1.00 25.65 N
+ATOM 1731 H ASN A 816 11.167 67.746 12.988 1.00 0.00 H
+ATOM 1732 CA ASN A 816 10.114 68.062 14.841 1.00 25.54 C
+ATOM 1733 HA ASN A 816 10.283 68.993 15.382 1.00 0.00 H
+ATOM 1734 C ASN A 816 9.953 66.942 15.871 1.00 24.07 C
+ATOM 1735 O ASN A 816 9.675 67.228 17.038 1.00 23.58 O
+ATOM 1736 CB ASN A 816 8.860 68.262 14.044 1.00 25.27 C
+ATOM 1737 HB1 ASN A 816 8.752 67.438 13.339 1.00 0.00 H
+ATOM 1738 HB2 ASN A 816 8.006 68.273 14.722 1.00 0.00 H
+ATOM 1739 CG ASN A 816 8.899 69.612 13.250 1.00 36.60 C
+ATOM 1740 OD1 ASN A 816 8.079 69.863 12.299 1.00 41.14 O
+ATOM 1741 ND2 ASN A 816 9.858 70.481 13.618 1.00 37.38 N
+ATOM 1742 1HD2 ASN A 816 9.951 71.392 13.125 1.00 0.00 H
+ATOM 1743 2HD2 ASN A 816 10.506 70.242 14.396 1.00 0.00 H
+ATOM 1744 N TRP A 817 10.141 65.691 15.478 1.00 21.25 N
+ATOM 1745 H TRP A 817 10.382 65.479 14.489 1.00 0.00 H
+ATOM 1746 CA TRP A 817 10.007 64.630 16.439 1.00 21.60 C
+ATOM 1747 HA TRP A 817 8.998 64.659 16.851 1.00 0.00 H
+ATOM 1748 C TRP A 817 11.048 64.836 17.594 1.00 22.38 C
+ATOM 1749 O TRP A 817 10.684 64.758 18.767 1.00 23.82 O
+ATOM 1750 CB TRP A 817 10.195 63.297 15.800 1.00 18.89 C
+ATOM 1751 HB1 TRP A 817 11.164 63.281 15.300 1.00 0.00 H
+ATOM 1752 HB2 TRP A 817 10.175 62.531 16.575 1.00 0.00 H
+ATOM 1753 CG TRP A 817 9.171 63.004 14.833 1.00 21.50 C
+ATOM 1754 CD1 TRP A 817 7.892 63.493 14.800 1.00 25.40 C
+ATOM 1755 HD1 TRP A 817 7.484 64.225 15.497 1.00 0.00 H
+ATOM 1756 CD2 TRP A 817 9.290 62.140 13.699 1.00 20.12 C
+ATOM 1757 NE1 TRP A 817 7.197 62.921 13.753 1.00 22.03 N
+ATOM 1758 HE1 TRP A 817 6.190 63.065 13.539 1.00 0.00 H
+ATOM 1759 CE2 TRP A 817 8.063 62.132 13.046 1.00 22.50 C
+ATOM 1760 CE3 TRP A 817 10.344 61.400 13.158 1.00 23.98 C
+ATOM 1761 HE3 TRP A 817 11.325 61.406 13.632 1.00 0.00 H
+ATOM 1762 CZ2 TRP A 817 7.850 61.407 11.880 1.00 26.22 C
+ATOM 1763 HZ2 TRP A 817 6.884 61.425 11.376 1.00 0.00 H
+ATOM 1764 CZ3 TRP A 817 10.124 60.666 12.020 1.00 26.97 C
+ATOM 1765 HZ3 TRP A 817 10.935 60.067 11.606 1.00 0.00 H
+ATOM 1766 CH2 TRP A 817 8.887 60.672 11.385 1.00 23.26 C
+ATOM 1767 HH2 TRP A 817 8.744 60.082 10.480 1.00 0.00 H
+ATOM 1768 N CYS A 818 12.288 65.177 17.285 1.00 20.81 N
+ATOM 1769 H CYS A 818 12.569 65.249 16.286 1.00 0.00 H
+ATOM 1770 CA CYS A 818 13.248 65.448 18.314 1.00 21.49 C
+ATOM 1771 HA CYS A 818 13.344 64.526 18.888 1.00 0.00 H
+ATOM 1772 C CYS A 818 12.786 66.576 19.235 1.00 20.87 C
+ATOM 1773 O CYS A 818 13.020 66.502 20.441 1.00 21.26 O
+ATOM 1774 CB CYS A 818 14.617 65.833 17.725 1.00 22.70 C
+ATOM 1775 HB1 CYS A 818 15.307 66.022 18.547 1.00 0.00 H
+ATOM 1776 HB2 CYS A 818 14.498 66.742 17.136 1.00 0.00 H
+ATOM 1777 SG CYS A 818 15.293 64.603 16.710 1.00 29.15 S
+ATOM 1778 HG CYS A 818 14.438 64.358 15.655 1.00 0.00 H
+ATOM 1779 N VAL A 819 12.186 67.630 18.701 1.00 19.16 N
+ATOM 1780 H VAL A 819 12.021 67.679 17.675 1.00 0.00 H
+ATOM 1781 CA VAL A 819 11.758 68.727 19.576 1.00 20.70 C
+ATOM 1782 HA VAL A 819 12.603 69.051 20.184 1.00 0.00 H
+ATOM 1783 C VAL A 819 10.623 68.244 20.490 1.00 22.31 C
+ATOM 1784 O VAL A 819 10.672 68.468 21.706 1.00 24.83 O
+ATOM 1785 CB VAL A 819 11.259 69.905 18.724 1.00 21.23 C
+ATOM 1786 HB VAL A 819 10.562 69.503 17.988 1.00 0.00 H
+ATOM 1787 CG1 VAL A 819 10.488 70.901 19.513 1.00 18.09 C
+ATOM 1788 1HG1 VAL A 819 9.617 70.417 19.955 1.00 0.00 H
+ATOM 1789 2HG1 VAL A 819 11.121 71.305 20.303 1.00 0.00 H
+ATOM 1790 3HG1 VAL A 819 10.162 71.709 18.857 1.00 0.00 H
+ATOM 1791 CG2 VAL A 819 12.437 70.560 17.984 1.00 23.81 C
+ATOM 1792 1HG2 VAL A 819 13.163 70.926 18.711 1.00 0.00 H
+ATOM 1793 2HG2 VAL A 819 12.911 69.824 17.334 1.00 0.00 H
+ATOM 1794 3HG2 VAL A 819 12.070 71.393 17.384 1.00 0.00 H
+ATOM 1795 N GLN A 820 9.653 67.505 19.931 1.00 21.98 N
+ATOM 1796 H GLN A 820 9.748 67.237 18.931 1.00 0.00 H
+ATOM 1797 CA GLN A 820 8.470 67.060 20.663 1.00 22.54 C
+ATOM 1798 HA GLN A 820 8.028 67.954 21.104 1.00 0.00 H
+ATOM 1799 C GLN A 820 8.827 66.097 21.800 1.00 22.76 C
+ATOM 1800 O GLN A 820 8.295 66.216 22.915 1.00 22.17 O
+ATOM 1801 CB GLN A 820 7.435 66.421 19.735 1.00 21.78 C
+ATOM 1802 HB1 GLN A 820 7.928 65.675 19.111 1.00 0.00 H
+ATOM 1803 HB2 GLN A 820 6.666 65.938 20.337 1.00 0.00 H
+ATOM 1804 CG GLN A 820 6.796 67.448 18.857 1.00 19.33 C
+ATOM 1805 HG1 GLN A 820 6.286 68.174 19.491 1.00 0.00 H
+ATOM 1806 HG2 GLN A 820 7.579 67.950 18.289 1.00 0.00 H
+ATOM 1807 CD GLN A 820 5.784 66.871 17.876 1.00 22.98 C
+ATOM 1808 OE1 GLN A 820 5.480 67.513 16.940 1.00 27.77 O
+ATOM 1809 NE2 GLN A 820 5.275 65.653 18.086 1.00 21.63 N
+ATOM 1810 1HE2 GLN A 820 4.592 65.252 17.412 1.00 0.00 H
+ATOM 1811 2HE2 GLN A 820 5.562 65.107 18.923 1.00 0.00 H
+ATOM 1812 N ILE A 821 9.749 65.189 21.502 1.00 22.35 N
+ATOM 1813 H ILE A 821 10.147 65.165 20.541 1.00 0.00 H
+ATOM 1814 CA ILE A 821 10.208 64.242 22.472 1.00 22.57 C
+ATOM 1815 HA ILE A 821 9.329 63.772 22.912 1.00 0.00 H
+ATOM 1816 C ILE A 821 10.992 64.935 23.596 1.00 24.06 C
+ATOM 1817 O ILE A 821 10.837 64.587 24.775 1.00 24.57 O
+ATOM 1818 CB ILE A 821 11.061 63.141 21.815 1.00 22.99 C
+ATOM 1819 HB ILE A 821 11.828 63.628 21.213 1.00 0.00 H
+ATOM 1820 CG1 ILE A 821 10.216 62.259 20.893 1.00 20.32 C
+ATOM 1821 1HG1 ILE A 821 9.718 61.495 21.490 1.00 0.00 H
+ATOM 1822 2HG1 ILE A 821 9.467 62.877 20.398 1.00 0.00 H
+ATOM 1823 CG2 ILE A 821 11.740 62.267 22.902 1.00 17.67 C
+ATOM 1824 1HG2 ILE A 821 12.382 62.893 23.522 1.00 0.00 H
+ATOM 1825 2HG2 ILE A 821 10.974 61.802 23.523 1.00 0.00 H
+ATOM 1826 3HG2 ILE A 821 12.339 61.493 22.422 1.00 0.00 H
+ATOM 1827 CD1 ILE A 821 11.102 61.563 19.808 1.00 21.34 C
+ATOM 1828 1HD1 ILE A 821 11.599 62.323 19.204 1.00 0.00 H
+ATOM 1829 2HD1 ILE A 821 11.850 60.939 20.297 1.00 0.00 H
+ATOM 1830 3HD1 ILE A 821 10.472 60.944 19.169 1.00 0.00 H
+ATOM 1831 N ALA A 822 11.790 65.962 23.251 1.00 24.81 N
+ATOM 1832 H ALA A 822 11.885 66.238 22.253 1.00 0.00 H
+ATOM 1833 CA ALA A 822 12.528 66.692 24.294 1.00 23.61 C
+ATOM 1834 HA ALA A 822 13.063 65.982 24.924 1.00 0.00 H
+ATOM 1835 C ALA A 822 11.516 67.476 25.162 1.00 22.91 C
+ATOM 1836 O ALA A 822 11.718 67.578 26.355 1.00 23.24 O
+ATOM 1837 CB ALA A 822 13.588 67.609 23.691 1.00 21.23 C
+ATOM 1838 HB1 ALA A 822 14.298 67.013 23.118 1.00 0.00 H
+ATOM 1839 HB2 ALA A 822 13.108 68.335 23.035 1.00 0.00 H
+ATOM 1840 HB3 ALA A 822 14.112 68.131 24.491 1.00 0.00 H
+ATOM 1841 N LYS A 823 10.457 68.011 24.557 1.00 21.80 N
+ATOM 1842 H LYS A 823 10.382 67.955 23.521 1.00 0.00 H
+ATOM 1843 CA LYS A 823 9.384 68.683 25.324 1.00 22.54 C
+ATOM 1844 HA LYS A 823 9.881 69.489 25.864 1.00 0.00 H
+ATOM 1845 C LYS A 823 8.695 67.705 26.304 1.00 22.15 C
+ATOM 1846 O LYS A 823 8.558 68.013 27.484 1.00 23.19 O
+ATOM 1847 CB LYS A 823 8.284 69.275 24.419 1.00 21.45 C
+ATOM 1848 HB1 LYS A 823 7.989 68.510 23.701 1.00 0.00 H
+ATOM 1849 HB2 LYS A 823 7.431 69.531 25.047 1.00 0.00 H
+ATOM 1850 CG LYS A 823 8.689 70.526 23.638 1.00 21.60 C
+ATOM 1851 HG1 LYS A 823 9.066 71.262 24.348 1.00 0.00 H
+ATOM 1852 HG2 LYS A 823 9.484 70.251 22.945 1.00 0.00 H
+ATOM 1853 CD LYS A 823 7.563 71.173 22.836 1.00 16.24 C
+ATOM 1854 HD1 LYS A 823 7.245 70.509 22.032 1.00 0.00 H
+ATOM 1855 HD2 LYS A 823 6.714 71.387 23.486 1.00 0.00 H
+ATOM 1856 CE LYS A 823 8.107 72.435 22.273 1.00 20.18 C
+ATOM 1857 HE1 LYS A 823 8.985 72.211 21.667 1.00 0.00 H
+ATOM 1858 HE2 LYS A 823 8.390 73.101 23.088 1.00 0.00 H
+ATOM 1859 NZ LYS A 823 7.097 73.090 21.440 1.00 20.45 N
+ATOM 1860 HZ1 LYS A 823 6.828 72.456 20.661 1.00 0.00 H
+ATOM 1861 HZ2 LYS A 823 6.260 73.306 22.018 1.00 0.00 H
+ATOM 1862 HZ3 LYS A 823 7.489 73.972 21.051 1.00 0.00 H
+ATOM 1863 N GLY A 824 8.252 66.562 25.833 1.00 20.89 N
+ATOM 1864 H GLY A 824 8.287 66.371 24.811 1.00 0.00 H
+ATOM 1865 CA GLY A 824 7.724 65.586 26.724 1.00 21.63 C
+ATOM 1866 HA1 GLY A 824 6.805 65.970 27.166 1.00 0.00 H
+ATOM 1867 HA2 GLY A 824 7.504 64.677 26.164 1.00 0.00 H
+ATOM 1868 C GLY A 824 8.700 65.258 27.828 1.00 23.26 C
+ATOM 1869 O GLY A 824 8.309 65.209 29.005 1.00 24.54 O
+ATOM 1870 N MET A 825 9.977 65.036 27.492 1.00 23.09 N
+ATOM 1871 H MET A 825 10.277 65.129 26.501 1.00 0.00 H
+ATOM 1872 CA MET A 825 10.948 64.664 28.515 1.00 23.01 C
+ATOM 1873 HA MET A 825 10.507 63.844 29.082 1.00 0.00 H
+ATOM 1874 C MET A 825 11.209 65.797 29.480 1.00 22.93 C
+ATOM 1875 O MET A 825 11.291 65.554 30.681 1.00 22.28 O
+ATOM 1876 CB MET A 825 12.237 64.156 27.911 1.00 22.33 C
+ATOM 1877 HB1 MET A 825 12.621 64.894 27.207 1.00 0.00 H
+ATOM 1878 HB2 MET A 825 12.969 63.996 28.703 1.00 0.00 H
+ATOM 1879 CG MET A 825 11.995 62.870 27.196 1.00 22.57 C
+ATOM 1880 HG1 MET A 825 12.922 62.600 26.690 1.00 0.00 H
+ATOM 1881 HG2 MET A 825 11.217 63.052 26.454 1.00 0.00 H
+ATOM 1882 SD MET A 825 11.478 61.433 28.183 1.00 27.35 S
+ATOM 1883 CE MET A 825 12.677 61.335 29.458 1.00 21.53 C
+ATOM 1884 HE1 MET A 825 13.664 61.196 29.017 1.00 0.00 H
+ATOM 1885 HE2 MET A 825 12.664 62.257 30.039 1.00 0.00 H
+ATOM 1886 HE3 MET A 825 12.446 60.491 30.108 1.00 0.00 H
+ATOM 1887 N ASN A 826 11.275 67.027 28.984 1.00 22.32 N
+ATOM 1888 H ASN A 826 11.232 67.184 27.957 1.00 0.00 H
+ATOM 1889 CA ASN A 826 11.408 68.155 29.899 1.00 24.49 C
+ATOM 1890 HA ASN A 826 12.322 67.988 30.468 1.00 0.00 H
+ATOM 1891 C ASN A 826 10.185 68.261 30.889 1.00 26.87 C
+ATOM 1892 O ASN A 826 10.317 68.684 32.041 1.00 26.74 O
+ATOM 1893 CB ASN A 826 11.472 69.449 29.124 1.00 24.09 C
+ATOM 1894 HB1 ASN A 826 12.293 69.387 28.410 1.00 0.00 H
+ATOM 1895 HB2 ASN A 826 10.533 69.580 28.586 1.00 0.00 H
+ATOM 1896 CG ASN A 826 11.698 70.681 30.031 1.00 23.70 C
+ATOM 1897 OD1 ASN A 826 12.788 70.895 30.573 1.00 24.05 O
+ATOM 1898 ND2 ASN A 826 10.719 71.527 30.095 1.00 15.86 N
+ATOM 1899 1HD2 ASN A 826 10.837 72.420 30.615 1.00 0.00 H
+ATOM 1900 2HD2 ASN A 826 9.816 71.313 29.626 1.00 0.00 H
+ATOM 1901 N TYR A 827 8.979 67.974 30.382 1.00 27.00 N
+ATOM 1902 H TYR A 827 8.889 67.732 29.375 1.00 0.00 H
+ATOM 1903 CA TYR A 827 7.834 67.996 31.197 1.00 27.40 C
+ATOM 1904 HA TYR A 827 7.754 68.968 31.685 1.00 0.00 H
+ATOM 1905 C TYR A 827 7.948 66.881 32.325 1.00 29.22 C
+ATOM 1906 O TYR A 827 7.669 67.167 33.464 1.00 26.67 O
+ATOM 1907 CB TYR A 827 6.592 67.779 30.343 1.00 27.29 C
+ATOM 1908 HB1 TYR A 827 6.375 68.688 29.781 1.00 0.00 H
+ATOM 1909 HB2 TYR A 827 6.769 66.957 29.649 1.00 0.00 H
+ATOM 1910 CG TYR A 827 5.444 67.452 31.207 1.00 22.84 C
+ATOM 1911 CD1 TYR A 827 4.702 68.475 31.846 1.00 18.82 C
+ATOM 1912 HD1 TYR A 827 4.983 69.519 31.704 1.00 0.00 H
+ATOM 1913 CD2 TYR A 827 5.130 66.106 31.456 1.00 20.39 C
+ATOM 1914 HD2 TYR A 827 5.739 65.324 31.003 1.00 0.00 H
+ATOM 1915 CE1 TYR A 827 3.571 68.141 32.687 1.00 19.19 C
+ATOM 1916 HE1 TYR A 827 2.952 68.922 33.128 1.00 0.00 H
+ATOM 1917 CE2 TYR A 827 4.040 65.742 32.282 1.00 20.53 C
+ATOM 1918 HE2 TYR A 827 3.782 64.692 32.423 1.00 0.00 H
+ATOM 1919 CZ TYR A 827 3.288 66.756 32.923 1.00 23.81 C
+ATOM 1920 OH TYR A 827 2.267 66.351 33.751 1.00 27.23 O
+ATOM 1921 HH TYR A 827 1.821 67.146 34.136 1.00 0.00 H
+ATOM 1922 N LEU A 828 8.357 65.651 31.974 1.00 30.69 N
+ATOM 1923 H LEU A 828 8.519 65.451 30.966 1.00 0.00 H
+ATOM 1924 CA LEU A 828 8.586 64.575 32.947 1.00 32.09 C
+ATOM 1925 HA LEU A 828 7.641 64.363 33.447 1.00 0.00 H
+ATOM 1926 C LEU A 828 9.604 65.016 34.017 1.00 34.23 C
+ATOM 1927 O LEU A 828 9.480 64.670 35.188 1.00 33.81 O
+ATOM 1928 CB LEU A 828 9.041 63.285 32.247 1.00 30.57 C
+ATOM 1929 HB1 LEU A 828 9.933 63.517 31.665 1.00 0.00 H
+ATOM 1930 HB2 LEU A 828 9.291 62.557 33.018 1.00 0.00 H
+ATOM 1931 CG LEU A 828 8.004 62.629 31.289 1.00 30.02 C
+ATOM 1932 HG LEU A 828 7.864 63.364 30.496 1.00 0.00 H
+ATOM 1933 CD1 LEU A 828 8.489 61.320 30.762 1.00 28.56 C
+ATOM 1934 1HD1 LEU A 828 9.417 61.473 30.211 1.00 0.00 H
+ATOM 1935 2HD1 LEU A 828 8.667 60.638 31.594 1.00 0.00 H
+ATOM 1936 3HD1 LEU A 828 7.736 60.896 30.098 1.00 0.00 H
+ATOM 1937 CD2 LEU A 828 6.736 62.319 31.961 1.00 28.27 C
+ATOM 1938 1HD2 LEU A 828 6.921 61.626 32.782 1.00 0.00 H
+ATOM 1939 2HD2 LEU A 828 6.299 63.238 32.351 1.00 0.00 H
+ATOM 1940 3HD2 LEU A 828 6.050 61.864 31.247 1.00 0.00 H
+ATOM 1941 N GLU A 829 10.572 65.833 33.603 1.00 36.65 N
+ATOM 1942 H GLU A 829 10.553 66.187 32.625 1.00 0.00 H
+ATOM 1943 CA GLU A 829 11.644 66.239 34.475 1.00 38.13 C
+ATOM 1944 HA GLU A 829 12.038 65.363 34.991 1.00 0.00 H
+ATOM 1945 C GLU A 829 11.090 67.227 35.437 1.00 38.16 C
+ATOM 1946 O GLU A 829 11.330 67.142 36.612 1.00 40.34 O
+ATOM 1947 CB GLU A 829 12.824 66.860 33.697 1.00 39.08 C
+ATOM 1948 HB1 GLU A 829 13.312 66.081 33.112 1.00 0.00 H
+ATOM 1949 HB2 GLU A 829 12.441 67.630 33.027 1.00 0.00 H
+ATOM 1950 CG GLU A 829 13.840 67.483 34.634 1.00 39.87 C
+ATOM 1951 HG1 GLU A 829 13.411 68.410 35.014 1.00 0.00 H
+ATOM 1952 HG2 GLU A 829 13.993 66.789 35.461 1.00 0.00 H
+ATOM 1953 CD GLU A 829 15.229 67.819 34.045 1.00 46.00 C
+ATOM 1954 OE1 GLU A 829 16.013 68.416 34.838 1.00 46.89 O
+ATOM 1955 OE2 GLU A 829 15.554 67.565 32.838 1.00 46.59 O
+ATOM 1956 N ASP A 830 10.354 68.186 34.953 1.00 37.95 N
+ATOM 1957 H ASP A 830 10.317 68.351 33.927 1.00 0.00 H
+ATOM 1958 CA ASP A 830 9.591 69.017 35.849 1.00 38.42 C
+ATOM 1959 HA ASP A 830 10.319 69.558 36.453 1.00 0.00 H
+ATOM 1960 C ASP A 830 8.718 68.261 36.892 1.00 37.84 C
+ATOM 1961 O ASP A 830 8.597 68.720 38.000 1.00 38.27 O
+ATOM 1962 CB ASP A 830 8.731 69.953 35.023 1.00 38.39 C
+ATOM 1963 HB1 ASP A 830 8.387 69.427 34.133 1.00 0.00 H
+ATOM 1964 HB2 ASP A 830 7.870 70.262 35.616 1.00 0.00 H
+ATOM 1965 CG ASP A 830 9.492 71.159 34.609 1.00 41.44 C
+ATOM 1966 OD1 ASP A 830 9.130 71.805 33.618 1.00 44.58 O
+ATOM 1967 OD2 ASP A 830 10.484 71.476 35.306 1.00 48.40 O
+ATOM 1968 N ARG A 831 8.144 67.126 36.524 1.00 36.47 N
+ATOM 1969 H ARG A 831 8.323 66.773 35.562 1.00 0.00 H
+ATOM 1970 CA ARG A 831 7.283 66.353 37.388 1.00 37.23 C
+ATOM 1971 HA ARG A 831 6.698 67.026 38.014 1.00 0.00 H
+ATOM 1972 C ARG A 831 8.153 65.456 38.229 1.00 37.21 C
+ATOM 1973 O ARG A 831 7.652 64.571 38.889 1.00 37.30 O
+ATOM 1974 CB ARG A 831 6.288 65.489 36.559 1.00 36.65 C
+ATOM 1975 HB1 ARG A 831 6.842 64.955 35.787 1.00 0.00 H
+ATOM 1976 HB2 ARG A 831 5.807 64.770 37.222 1.00 0.00 H
+ATOM 1977 CG ARG A 831 5.231 66.331 35.906 1.00 39.92 C
+ATOM 1978 HG1 ARG A 831 5.706 67.103 35.301 1.00 0.00 H
+ATOM 1979 HG2 ARG A 831 4.610 65.702 35.268 1.00 0.00 H
+ATOM 1980 CD ARG A 831 4.353 66.993 36.979 1.00 51.72 C
+ATOM 1981 HD1 ARG A 831 4.070 67.989 36.638 1.00 0.00 H
+ATOM 1982 HD2 ARG A 831 4.926 67.076 37.902 1.00 0.00 H
+ATOM 1983 NE ARG A 831 3.121 66.208 37.247 1.00 58.95 N
+ATOM 1984 HE ARG A 831 2.282 66.439 36.678 1.00 0.00 H
+ATOM 1985 CZ ARG A 831 2.990 65.228 38.155 1.00 62.67 C
+ATOM 1986 NH1 ARG A 831 3.999 64.851 38.950 1.00 64.58 N
+ATOM 1987 1HH1 ARG A 831 4.923 65.322 38.876 1.00 0.00 H
+ATOM 1988 2HH1 ARG A 831 3.859 64.087 39.642 1.00 0.00 H
+ATOM 1989 NH2 ARG A 831 1.816 64.616 38.283 1.00 64.47 N
+ATOM 1990 1HH2 ARG A 831 1.014 64.898 37.684 1.00 0.00 H
+ATOM 1991 2HH2 ARG A 831 1.700 63.855 38.982 1.00 0.00 H
+ATOM 1992 N ARG A 832 9.467 65.646 38.148 1.00 37.25 N
+ATOM 1993 H ARG A 832 9.820 66.431 37.565 1.00 0.00 H
+ATOM 1994 CA ARG A 832 10.451 64.790 38.851 1.00 37.12 C
+ATOM 1995 HA ARG A 832 11.431 65.052 38.452 1.00 0.00 H
+ATOM 1996 C ARG A 832 10.207 63.330 38.573 1.00 35.91 C
+ATOM 1997 O ARG A 832 10.272 62.484 39.448 1.00 36.21 O
+ATOM 1998 CB ARG A 832 10.495 65.064 40.361 1.00 37.77 C
+ATOM 1999 HB1 ARG A 832 9.668 64.534 40.835 1.00 0.00 H
+ATOM 2000 HB2 ARG A 832 11.439 64.688 40.755 1.00 0.00 H
+ATOM 2001 CG ARG A 832 10.379 66.581 40.710 1.00 42.98 C
+ATOM 2002 HG1 ARG A 832 10.850 67.152 39.910 1.00 0.00 H
+ATOM 2003 HG2 ARG A 832 9.321 66.838 40.764 1.00 0.00 H
+ATOM 2004 CD ARG A 832 11.034 66.979 42.028 1.00 53.48 C
+ATOM 2005 HD1 ARG A 832 10.544 67.884 42.387 1.00 0.00 H
+ATOM 2006 HD2 ARG A 832 12.085 67.191 41.830 1.00 0.00 H
+ATOM 2007 NE ARG A 832 10.968 65.969 43.104 1.00 60.05 N
+ATOM 2008 HE ARG A 832 10.046 65.809 43.558 1.00 0.00 H
+ATOM 2009 CZ ARG A 832 12.015 65.239 43.542 1.00 65.97 C
+ATOM 2010 NH1 ARG A 832 13.259 65.359 43.026 1.00 64.51 N
+ATOM 2011 1HH1 ARG A 832 13.440 66.036 42.258 1.00 0.00 H
+ATOM 2012 2HH1 ARG A 832 14.035 64.774 43.397 1.00 0.00 H
+ATOM 2013 NH2 ARG A 832 11.831 64.391 44.555 1.00 69.85 N
+ATOM 2014 1HH2 ARG A 832 10.892 64.301 44.994 1.00 0.00 H
+ATOM 2015 2HH2 ARG A 832 12.626 63.820 44.906 1.00 0.00 H
+ATOM 2016 N LEU A 833 9.959 63.033 37.317 1.00 34.08 N
+ATOM 2017 H LEU A 833 9.863 63.795 36.615 1.00 0.00 H
+ATOM 2018 CA LEU A 833 9.821 61.682 36.913 1.00 33.15 C
+ATOM 2019 HA LEU A 833 9.844 61.026 37.783 1.00 0.00 H
+ATOM 2020 C LEU A 833 10.950 61.235 35.995 1.00 31.54 C
+ATOM 2021 O LEU A 833 11.154 61.862 34.987 1.00 32.53 O
+ATOM 2022 CB LEU A 833 8.510 61.625 36.141 1.00 33.67 C
+ATOM 2023 HB1 LEU A 833 7.792 62.256 36.664 1.00 0.00 H
+ATOM 2024 HB2 LEU A 833 8.695 62.033 35.147 1.00 0.00 H
+ATOM 2025 CG LEU A 833 7.887 60.280 35.968 1.00 36.25 C
+ATOM 2026 HG LEU A 833 8.101 59.578 36.774 1.00 0.00 H
+ATOM 2027 CD1 LEU A 833 6.429 60.527 35.900 1.00 39.85 C
+ATOM 2028 1HD1 LEU A 833 6.099 61.004 36.823 1.00 0.00 H
+ATOM 2029 2HD1 LEU A 833 6.211 61.179 35.054 1.00 0.00 H
+ATOM 2030 3HD1 LEU A 833 5.907 59.579 35.773 1.00 0.00 H
+ATOM 2031 CD2 LEU A 833 8.450 59.668 34.650 1.00 43.19 C
+ATOM 2032 1HD2 LEU A 833 8.195 60.317 33.812 1.00 0.00 H
+ATOM 2033 2HD2 LEU A 833 9.534 59.579 34.726 1.00 0.00 H
+ATOM 2034 3HD2 LEU A 833 8.013 58.682 34.493 1.00 0.00 H
+ATOM 2035 N VAL A 834 11.606 60.128 36.311 1.00 29.57 N
+ATOM 2036 H VAL A 834 11.358 59.670 37.211 1.00 0.00 H
+ATOM 2037 CA VAL A 834 12.605 59.520 35.538 1.00 28.55 C
+ATOM 2038 HA VAL A 834 13.019 60.263 34.856 1.00 0.00 H
+ATOM 2039 C VAL A 834 12.000 58.362 34.801 1.00 30.01 C
+ATOM 2040 O VAL A 834 11.473 57.420 35.428 1.00 32.04 O
+ATOM 2041 CB VAL A 834 13.714 58.961 36.435 1.00 29.51 C
+ATOM 2042 HB VAL A 834 13.239 58.204 37.059 1.00 0.00 H
+ATOM 2043 CG1 VAL A 834 14.889 58.366 35.627 1.00 30.95 C
+ATOM 2044 1HG1 VAL A 834 14.523 57.553 35.001 1.00 0.00 H
+ATOM 2045 2HG1 VAL A 834 15.326 59.142 34.998 1.00 0.00 H
+ATOM 2046 3HG1 VAL A 834 15.645 57.985 36.314 1.00 0.00 H
+ATOM 2047 CG2 VAL A 834 14.346 60.085 37.189 1.00 30.52 C
+ATOM 2048 1HG2 VAL A 834 14.769 60.801 36.484 1.00 0.00 H
+ATOM 2049 2HG2 VAL A 834 13.592 60.579 37.802 1.00 0.00 H
+ATOM 2050 3HG2 VAL A 834 15.136 59.693 37.829 1.00 0.00 H
+ATOM 2051 N HIS A 835 12.131 58.371 33.469 1.00 28.61 N
+ATOM 2052 H HIS A 835 12.772 59.063 33.031 1.00 0.00 H
+ATOM 2053 CA HIS A 835 11.412 57.452 32.622 1.00 27.39 C
+ATOM 2054 HA HIS A 835 10.409 57.313 33.025 1.00 0.00 H
+ATOM 2055 C HIS A 835 12.078 56.056 32.602 1.00 28.66 C
+ATOM 2056 O HIS A 835 11.373 55.014 32.695 1.00 26.46 O
+ATOM 2057 CB HIS A 835 11.308 58.046 31.200 1.00 26.41 C
+ATOM 2058 HB1 HIS A 835 10.850 59.032 31.273 1.00 0.00 H
+ATOM 2059 HB2 HIS A 835 12.315 58.143 30.795 1.00 0.00 H
+ATOM 2060 CG HIS A 835 10.493 57.216 30.247 1.00 22.39 C
+ATOM 2061 ND1 HIS A 835 10.914 55.994 29.775 1.00 21.80 N
+ATOM 2062 CD2 HIS A 835 9.285 57.426 29.686 1.00 21.50 C
+ATOM 2063 HD2 HIS A 835 8.655 58.305 29.824 1.00 0.00 H
+ATOM 2064 CE1 HIS A 835 9.993 55.469 28.979 1.00 19.13 C
+ATOM 2065 HE1 HIS A 835 10.052 54.504 28.476 1.00 0.00 H
+ATOM 2066 NE2 HIS A 835 8.990 56.326 28.905 1.00 21.72 N
+ATOM 2067 N ARG A 836 13.412 56.049 32.382 1.00 28.83 N
+ATOM 2068 H ARG A 836 13.877 56.956 32.174 1.00 0.00 H
+ATOM 2069 CA ARG A 836 14.250 54.834 32.418 1.00 30.16 C
+ATOM 2070 HA ARG A 836 15.264 55.232 32.379 1.00 0.00 H
+ATOM 2071 C ARG A 836 14.028 53.912 31.253 1.00 29.81 C
+ATOM 2072 O ARG A 836 14.694 52.903 31.164 1.00 30.46 O
+ATOM 2073 CB ARG A 836 14.050 53.983 33.731 1.00 30.87 C
+ATOM 2074 HB1 ARG A 836 13.030 53.598 33.736 1.00 0.00 H
+ATOM 2075 HB2 ARG A 836 14.752 53.149 33.708 1.00 0.00 H
+ATOM 2076 CG ARG A 836 14.278 54.773 35.046 1.00 35.62 C
+ATOM 2077 HG1 ARG A 836 15.291 55.176 35.032 1.00 0.00 H
+ATOM 2078 HG2 ARG A 836 13.562 55.594 35.080 1.00 0.00 H
+ATOM 2079 CD ARG A 836 14.108 53.922 36.343 1.00 36.24 C
+ATOM 2080 HD1 ARG A 836 13.062 53.632 36.444 1.00 0.00 H
+ATOM 2081 HD2 ARG A 836 14.402 54.522 37.204 1.00 0.00 H
+ATOM 2082 NE ARG A 836 14.935 52.719 36.294 1.00 40.79 N
+ATOM 2083 HE ARG A 836 15.948 52.836 36.091 1.00 0.00 H
+ATOM 2084 CZ ARG A 836 14.479 51.476 36.492 1.00 40.76 C
+ATOM 2085 NH1 ARG A 836 13.198 51.276 36.759 1.00 39.15 N
+ATOM 2086 1HH1 ARG A 836 12.546 52.084 36.815 1.00 0.00 H
+ATOM 2087 2HH1 ARG A 836 12.843 50.310 36.913 1.00 0.00 H
+ATOM 2088 NH2 ARG A 836 15.320 50.427 36.403 1.00 40.83 N
+ATOM 2089 1HH2 ARG A 836 16.324 50.583 36.180 1.00 0.00 H
+ATOM 2090 2HH2 ARG A 836 14.965 49.462 36.557 1.00 0.00 H
+ATOM 2091 N ASP A 837 13.070 54.185 30.384 1.00 29.44 N
+ATOM 2092 H ASP A 837 12.413 54.976 30.539 1.00 0.00 H
+ATOM 2093 CA ASP A 837 12.966 53.338 29.199 1.00 29.17 C
+ATOM 2094 HA ASP A 837 13.940 52.861 29.090 1.00 0.00 H
+ATOM 2095 C ASP A 837 12.713 54.127 27.893 1.00 28.32 C
+ATOM 2096 O ASP A 837 11.862 53.705 27.063 1.00 28.02 O
+ATOM 2097 CB ASP A 837 11.895 52.273 29.385 1.00 29.84 C
+ATOM 2098 HB1 ASP A 837 11.993 51.849 30.384 1.00 0.00 H
+ATOM 2099 HB2 ASP A 837 10.916 52.741 29.284 1.00 0.00 H
+ATOM 2100 CG ASP A 837 12.009 51.125 28.343 1.00 33.80 C
+ATOM 2101 OD1 ASP A 837 13.012 51.012 27.601 1.00 37.10 O
+ATOM 2102 OD2 ASP A 837 11.096 50.292 28.280 1.00 37.08 O
+ATOM 2103 N LEU A 838 13.406 55.269 27.718 1.00 25.80 N
+ATOM 2104 H LEU A 838 14.106 55.566 28.427 1.00 0.00 H
+ATOM 2105 CA LEU A 838 13.176 56.081 26.544 1.00 24.43 C
+ATOM 2106 HA LEU A 838 12.106 56.178 26.362 1.00 0.00 H
+ATOM 2107 C LEU A 838 13.818 55.386 25.335 1.00 24.56 C
+ATOM 2108 O LEU A 838 15.005 55.070 25.364 1.00 24.09 O
+ATOM 2109 CB LEU A 838 13.695 57.498 26.744 1.00 24.50 C
+ATOM 2110 HB1 LEU A 838 13.140 57.929 27.577 1.00 0.00 H
+ATOM 2111 HB2 LEU A 838 14.748 57.419 27.013 1.00 0.00 H
+ATOM 2112 CG LEU A 838 13.597 58.506 25.556 1.00 24.26 C
+ATOM 2113 HG LEU A 838 14.230 58.140 24.748 1.00 0.00 H
+ATOM 2114 CD1 LEU A 838 12.156 58.607 25.054 1.00 22.21 C
+ATOM 2115 1HD1 LEU A 838 11.821 57.627 24.715 1.00 0.00 H
+ATOM 2116 2HD1 LEU A 838 11.514 58.952 25.864 1.00 0.00 H
+ATOM 2117 3HD1 LEU A 838 12.110 59.315 24.226 1.00 0.00 H
+ATOM 2118 CD2 LEU A 838 14.086 59.899 25.993 1.00 22.15 C
+ATOM 2119 1HD2 LEU A 838 13.468 60.258 26.816 1.00 0.00 H
+ATOM 2120 2HD2 LEU A 838 15.124 59.833 26.319 1.00 0.00 H
+ATOM 2121 3HD2 LEU A 838 14.011 60.589 25.153 1.00 0.00 H
+ATOM 2122 N ALA A 839 13.039 55.140 24.273 1.00 24.12 N
+ATOM 2123 H ALA A 839 12.029 55.384 24.307 1.00 0.00 H
+ATOM 2124 CA ALA A 839 13.593 54.535 23.074 1.00 24.26 C
+ATOM 2125 HA ALA A 839 14.562 54.962 22.816 1.00 0.00 H
+ATOM 2126 C ALA A 839 12.576 54.777 22.004 1.00 24.95 C
+ATOM 2127 O ALA A 839 11.456 55.090 22.293 1.00 26.24 O
+ATOM 2128 CB ALA A 839 13.824 53.036 23.277 1.00 23.07 C
+ATOM 2129 HB1 ALA A 839 14.521 52.885 24.101 1.00 0.00 H
+ATOM 2130 HB2 ALA A 839 12.875 52.552 23.509 1.00 0.00 H
+ATOM 2131 HB3 ALA A 839 14.239 52.607 22.365 1.00 0.00 H
+ATOM 2132 N ALA A 840 12.934 54.618 20.748 1.00 25.17 N
+ATOM 2133 H ALA A 840 13.872 54.238 20.506 1.00 0.00 H
+ATOM 2134 CA ALA A 840 12.007 54.978 19.727 1.00 25.56 C
+ATOM 2135 HA ALA A 840 11.655 55.989 19.933 1.00 0.00 H
+ATOM 2136 C ALA A 840 10.808 54.055 19.714 1.00 25.80 C
+ATOM 2137 O ALA A 840 9.765 54.403 19.159 1.00 26.25 O
+ATOM 2138 CB ALA A 840 12.706 54.927 18.357 1.00 24.00 C
+ATOM 2139 HB1 ALA A 840 13.543 55.626 18.351 1.00 0.00 H
+ATOM 2140 HB2 ALA A 840 13.073 53.917 18.175 1.00 0.00 H
+ATOM 2141 HB3 ALA A 840 11.996 55.203 17.578 1.00 0.00 H
+ATOM 2142 N ARG A 841 11.011 52.826 20.182 1.00 27.01 N
+ATOM 2143 H ARG A 841 11.973 52.546 20.460 1.00 0.00 H
+ATOM 2144 CA ARG A 841 9.904 51.839 20.321 1.00 27.73 C
+ATOM 2145 HA ARG A 841 9.459 51.704 19.335 1.00 0.00 H
+ATOM 2146 C ARG A 841 8.903 52.387 21.330 1.00 26.34 C
+ATOM 2147 O ARG A 841 7.773 51.993 21.222 1.00 28.49 O
+ATOM 2148 CB ARG A 841 10.383 50.428 20.791 1.00 27.16 C
+ATOM 2149 HB1 ARG A 841 9.606 49.697 20.567 1.00 0.00 H
+ATOM 2150 HB2 ARG A 841 11.294 50.165 20.253 1.00 0.00 H
+ATOM 2151 CG ARG A 841 10.665 50.407 22.273 1.00 33.58 C
+ATOM 2152 HG1 ARG A 841 11.384 51.195 22.497 1.00 0.00 H
+ATOM 2153 HG2 ARG A 841 9.733 50.606 22.803 1.00 0.00 H
+ATOM 2154 CD ARG A 841 11.225 49.095 22.770 1.00 35.58 C
+ATOM 2155 HD1 ARG A 841 10.957 48.284 22.093 1.00 0.00 H
+ATOM 2156 HD2 ARG A 841 10.848 48.872 23.768 1.00 0.00 H
+ATOM 2157 NE ARG A 841 12.655 49.278 22.799 1.00 39.74 N
+ATOM 2158 HE ARG A 841 13.155 49.133 21.898 1.00 0.00 H
+ATOM 2159 CZ ARG A 841 13.400 49.606 23.829 1.00 38.76 C
+ATOM 2160 NH1 ARG A 841 12.875 49.786 25.023 1.00 42.61 N
+ATOM 2161 1HH1 ARG A 841 11.851 49.669 25.164 1.00 0.00 H
+ATOM 2162 2HH1 ARG A 841 13.484 50.046 25.825 1.00 0.00 H
+ATOM 2163 NH2 ARG A 841 14.710 49.747 23.626 1.00 37.65 N
+ATOM 2164 1HH2 ARG A 841 15.108 49.598 22.677 1.00 0.00 H
+ATOM 2165 2HH2 ARG A 841 15.334 50.006 24.417 1.00 0.00 H
+ATOM 2166 N ASN A 842 9.275 53.334 22.216 1.00 23.77 N
+ATOM 2167 H ASN A 842 10.239 53.722 22.172 1.00 0.00 H
+ATOM 2168 CA ASN A 842 8.358 53.821 23.228 1.00 24.27 C
+ATOM 2169 HA ASN A 842 7.489 53.164 23.183 1.00 0.00 H
+ATOM 2170 C ASN A 842 7.834 55.217 22.943 1.00 24.61 C
+ATOM 2171 O ASN A 842 7.500 56.022 23.866 1.00 23.21 O
+ATOM 2172 CB ASN A 842 8.955 53.700 24.665 1.00 24.56 C
+ATOM 2173 HB1 ASN A 842 9.908 54.229 24.697 1.00 0.00 H
+ATOM 2174 HB2 ASN A 842 8.264 54.156 25.374 1.00 0.00 H
+ATOM 2175 CG ASN A 842 9.186 52.231 25.069 1.00 26.24 C
+ATOM 2176 OD1 ASN A 842 8.431 51.340 24.624 1.00 24.71 O
+ATOM 2177 ND2 ASN A 842 10.257 51.965 25.868 1.00 23.58 N
+ATOM 2178 1HD2 ASN A 842 10.477 50.984 26.134 1.00 0.00 H
+ATOM 2179 2HD2 ASN A 842 10.855 52.743 26.212 1.00 0.00 H
+ATOM 2180 N VAL A 843 7.731 55.496 21.652 1.00 23.93 N
+ATOM 2181 H VAL A 843 8.040 54.795 20.949 1.00 0.00 H
+ATOM 2182 CA VAL A 843 7.190 56.772 21.206 1.00 23.98 C
+ATOM 2183 HA VAL A 843 6.815 57.344 22.055 1.00 0.00 H
+ATOM 2184 C VAL A 843 6.047 56.449 20.244 1.00 26.39 C
+ATOM 2185 O VAL A 843 6.216 55.616 19.315 1.00 27.23 O
+ATOM 2186 CB VAL A 843 8.266 57.713 20.596 1.00 22.99 C
+ATOM 2187 HB VAL A 843 8.802 57.187 19.806 1.00 0.00 H
+ATOM 2188 CG1 VAL A 843 7.623 58.900 19.987 1.00 21.36 C
+ATOM 2189 1HG1 VAL A 843 6.942 58.579 19.199 1.00 0.00 H
+ATOM 2190 2HG1 VAL A 843 7.066 59.442 20.751 1.00 0.00 H
+ATOM 2191 3HG1 VAL A 843 8.389 59.550 19.564 1.00 0.00 H
+ATOM 2192 CG2 VAL A 843 9.273 58.108 21.665 1.00 19.75 C
+ATOM 2193 1HG2 VAL A 843 8.758 58.626 22.474 1.00 0.00 H
+ATOM 2194 2HG2 VAL A 843 9.757 57.213 22.055 1.00 0.00 H
+ATOM 2195 3HG2 VAL A 843 10.024 58.767 21.229 1.00 0.00 H
+ATOM 2196 N LEU A 844 4.864 57.006 20.519 1.00 26.20 N
+ATOM 2197 H LEU A 844 4.759 57.657 21.323 1.00 0.00 H
+ATOM 2198 CA LEU A 844 3.743 56.689 19.686 1.00 27.05 C
+ATOM 2199 HA LEU A 844 3.979 55.809 19.088 1.00 0.00 H
+ATOM 2200 C LEU A 844 3.455 57.839 18.790 1.00 25.88 C
+ATOM 2201 O LEU A 844 3.740 58.969 19.108 1.00 25.89 O
+ATOM 2202 CB LEU A 844 2.510 56.386 20.551 1.00 26.85 C
+ATOM 2203 HB1 LEU A 844 2.353 57.212 21.244 1.00 0.00 H
+ATOM 2204 HB2 LEU A 844 1.639 56.287 19.903 1.00 0.00 H
+ATOM 2205 CG LEU A 844 2.685 55.083 21.357 1.00 33.24 C
+ATOM 2206 HG LEU A 844 3.362 55.353 22.168 1.00 0.00 H
+ATOM 2207 CD1 LEU A 844 1.371 54.581 21.922 1.00 36.15 C
+ATOM 2208 1HD1 LEU A 844 0.950 55.337 22.585 1.00 0.00 H
+ATOM 2209 2HD1 LEU A 844 0.677 54.385 21.105 1.00 0.00 H
+ATOM 2210 3HD1 LEU A 844 1.545 53.662 22.481 1.00 0.00 H
+ATOM 2211 CD2 LEU A 844 3.316 53.950 20.546 1.00 33.03 C
+ATOM 2212 1HD2 LEU A 844 2.684 53.723 19.688 1.00 0.00 H
+ATOM 2213 2HD2 LEU A 844 4.303 54.258 20.201 1.00 0.00 H
+ATOM 2214 3HD2 LEU A 844 3.410 53.064 21.174 1.00 0.00 H
+ATOM 2215 N VAL A 845 2.794 57.534 17.699 1.00 27.16 N
+ATOM 2216 H VAL A 845 2.428 56.565 17.602 1.00 0.00 H
+ATOM 2217 CA VAL A 845 2.540 58.484 16.603 1.00 26.93 C
+ATOM 2218 HA VAL A 845 3.030 59.429 16.837 1.00 0.00 H
+ATOM 2219 C VAL A 845 1.039 58.746 16.468 1.00 27.77 C
+ATOM 2220 O VAL A 845 0.249 57.900 16.007 1.00 29.02 O
+ATOM 2221 CB VAL A 845 3.140 57.959 15.274 1.00 25.70 C
+ATOM 2222 HB VAL A 845 2.624 57.058 14.944 1.00 0.00 H
+ATOM 2223 CG1 VAL A 845 2.960 58.992 14.226 1.00 23.80 C
+ATOM 2224 1HG1 VAL A 845 1.897 59.195 14.097 1.00 0.00 H
+ATOM 2225 2HG1 VAL A 845 3.472 59.906 14.527 1.00 0.00 H
+ATOM 2226 3HG1 VAL A 845 3.379 58.632 13.287 1.00 0.00 H
+ATOM 2227 CG2 VAL A 845 4.583 57.582 15.480 1.00 20.75 C
+ATOM 2228 1HG2 VAL A 845 5.143 58.458 15.808 1.00 0.00 H
+ATOM 2229 2HG2 VAL A 845 4.649 56.802 16.239 1.00 0.00 H
+ATOM 2230 3HG2 VAL A 845 4.998 57.214 14.542 1.00 0.00 H
+ATOM 2231 N LYS A 846 0.624 59.902 16.922 1.00 27.03 N
+ATOM 2232 H LYS A 846 1.287 60.592 17.329 1.00 0.00 H
+ATOM 2233 CA LYS A 846 -0.764 60.177 16.837 1.00 27.63 C
+ATOM 2234 HA LYS A 846 -1.365 59.321 17.142 1.00 0.00 H
+ATOM 2235 C LYS A 846 -1.033 60.549 15.404 1.00 28.56 C
+ATOM 2236 O LYS A 846 -1.932 60.016 14.795 1.00 29.11 O
+ATOM 2237 CB LYS A 846 -1.104 61.346 17.749 1.00 27.69 C
+ATOM 2238 HB1 LYS A 846 -0.989 61.028 18.785 1.00 0.00 H
+ATOM 2239 HB2 LYS A 846 -0.414 62.164 17.543 1.00 0.00 H
+ATOM 2240 CG LYS A 846 -2.530 61.843 17.544 1.00 24.81 C
+ATOM 2241 HG1 LYS A 846 -2.696 62.006 16.479 1.00 0.00 H
+ATOM 2242 HG2 LYS A 846 -3.223 61.083 17.906 1.00 0.00 H
+ATOM 2243 CD LYS A 846 -2.793 63.124 18.276 1.00 22.11 C
+ATOM 2244 HD1 LYS A 846 -2.592 62.997 19.340 1.00 0.00 H
+ATOM 2245 HD2 LYS A 846 -2.161 63.920 17.881 1.00 0.00 H
+ATOM 2246 CE LYS A 846 -4.253 63.458 18.056 1.00 26.69 C
+ATOM 2247 HE1 LYS A 846 -4.867 62.643 18.439 1.00 0.00 H
+ATOM 2248 HE2 LYS A 846 -4.435 63.578 16.988 1.00 0.00 H
+ATOM 2249 NZ LYS A 846 -4.618 64.705 18.751 1.00 30.54 N
+ATOM 2250 HZ1 LYS A 846 -4.450 64.594 19.771 1.00 0.00 H
+ATOM 2251 HZ2 LYS A 846 -4.037 65.487 18.386 1.00 0.00 H
+ATOM 2252 HZ3 LYS A 846 -5.624 64.912 18.584 1.00 0.00 H
+ATOM 2253 N THR A 847 -0.285 61.527 14.901 1.00 29.74 N
+ATOM 2254 H THR A 847 0.270 62.111 15.559 1.00 0.00 H
+ATOM 2255 CA THR A 847 -0.202 61.822 13.484 1.00 31.26 C
+ATOM 2256 HA THR A 847 -0.704 61.016 12.948 1.00 0.00 H
+ATOM 2257 C THR A 847 1.280 62.002 13.171 1.00 32.07 C
+ATOM 2258 O THR A 847 2.097 62.221 14.073 1.00 32.80 O
+ATOM 2259 CB THR A 847 -0.855 63.155 13.100 1.00 31.29 C
+ATOM 2260 HB THR A 847 -0.917 63.204 12.013 1.00 0.00 H
+ATOM 2261 OG1 THR A 847 -0.042 64.234 13.612 1.00 33.48 O
+ATOM 2262 HG1 THR A 847 0.865 64.178 13.219 1.00 0.00 H
+ATOM 2263 CG2 THR A 847 -2.281 63.277 13.628 1.00 29.33 C
+ATOM 2264 1HG2 THR A 847 -2.269 63.231 14.717 1.00 0.00 H
+ATOM 2265 2HG2 THR A 847 -2.705 64.229 13.308 1.00 0.00 H
+ATOM 2266 3HG2 THR A 847 -2.884 62.458 13.235 1.00 0.00 H
+ATOM 2267 N PRO A 848 1.647 61.945 11.884 1.00 32.66 N
+ATOM 2268 CA PRO A 848 3.069 62.180 11.575 1.00 32.25 C
+ATOM 2269 HA PRO A 848 3.701 61.437 12.062 1.00 0.00 H
+ATOM 2270 C PRO A 848 3.612 63.548 12.079 1.00 31.68 C
+ATOM 2271 O PRO A 848 4.790 63.725 12.203 1.00 31.90 O
+ATOM 2272 CB PRO A 848 3.086 62.166 10.040 1.00 33.12 C
+ATOM 2273 HB1 PRO A 848 3.012 63.180 9.647 1.00 0.00 H
+ATOM 2274 HB2 PRO A 848 4.000 61.701 9.671 1.00 0.00 H
+ATOM 2275 CG PRO A 848 1.881 61.354 9.642 1.00 34.06 C
+ATOM 2276 HG1 PRO A 848 1.549 61.621 8.639 1.00 0.00 H
+ATOM 2277 HG2 PRO A 848 2.104 60.288 9.678 1.00 0.00 H
+ATOM 2278 CD PRO A 848 0.830 61.718 10.670 1.00 32.48 C
+ATOM 2279 HD1 PRO A 848 0.121 60.903 10.817 1.00 0.00 H
+ATOM 2280 HD2 PRO A 848 0.290 62.620 10.382 1.00 0.00 H
+ATOM 2281 N GLN A 849 2.776 64.523 12.358 1.00 30.80 N
+ATOM 2282 H GLN A 849 1.771 64.469 12.097 1.00 0.00 H
+ATOM 2283 CA GLN A 849 3.308 65.650 13.030 1.00 32.40 C
+ATOM 2284 HA GLN A 849 4.367 65.573 12.785 1.00 0.00 H
+ATOM 2285 C GLN A 849 3.137 65.661 14.541 1.00 30.59 C
+ATOM 2286 O GLN A 849 3.332 66.701 15.149 1.00 29.31 O
+ATOM 2287 CB GLN A 849 2.671 66.954 12.558 1.00 34.05 C
+ATOM 2288 HB1 GLN A 849 2.673 67.650 13.396 1.00 0.00 H
+ATOM 2289 HB2 GLN A 849 3.286 67.355 11.753 1.00 0.00 H
+ATOM 2290 CG GLN A 849 1.294 66.847 12.063 1.00 43.93 C
+ATOM 2291 HG1 GLN A 849 0.884 65.867 12.306 1.00 0.00 H
+ATOM 2292 HG2 GLN A 849 0.673 67.621 12.514 1.00 0.00 H
+ATOM 2293 CD GLN A 849 1.346 67.033 10.548 1.00 55.54 C
+ATOM 2294 OE1 GLN A 849 1.231 66.047 9.732 1.00 53.50 O
+ATOM 2295 NE2 GLN A 849 1.627 68.310 10.154 1.00 53.71 N
+ATOM 2296 1HE2 GLN A 849 1.760 68.526 9.145 1.00 0.00 H
+ATOM 2297 2HE2 GLN A 849 1.708 69.067 10.863 1.00 0.00 H
+ATOM 2298 N HIS A 850 2.727 64.562 15.164 1.00 28.93 N
+ATOM 2299 H HIS A 850 2.613 63.661 14.658 1.00 0.00 H
+ATOM 2300 CA HIS A 850 2.444 64.676 16.592 1.00 26.50 C
+ATOM 2301 HA HIS A 850 3.111 65.426 17.018 1.00 0.00 H
+ATOM 2302 C HIS A 850 2.720 63.357 17.305 1.00 24.92 C
+ATOM 2303 O HIS A 850 1.943 62.444 17.217 1.00 24.07 O
+ATOM 2304 CB HIS A 850 1.010 65.149 16.822 1.00 25.11 C
+ATOM 2305 HB1 HIS A 850 0.840 66.042 16.221 1.00 0.00 H
+ATOM 2306 HB2 HIS A 850 0.330 64.361 16.499 1.00 0.00 H
+ATOM 2307 CG HIS A 850 0.713 65.475 18.248 1.00 26.83 C
+ATOM 2308 ND1 HIS A 850 -0.404 66.204 18.635 1.00 30.22 N
+ATOM 2309 CD2 HIS A 850 1.391 65.190 19.396 1.00 24.89 C
+ATOM 2310 HD2 HIS A 850 2.331 64.644 19.475 1.00 0.00 H
+ATOM 2311 CE1 HIS A 850 -0.413 66.341 19.958 1.00 22.59 C
+ATOM 2312 HE1 HIS A 850 -1.167 66.866 20.544 1.00 0.00 H
+ATOM 2313 NE2 HIS A 850 0.661 65.724 20.439 1.00 26.99 N
+ATOM 2314 N VAL A 851 3.826 63.294 18.026 1.00 23.77 N
+ATOM 2315 H VAL A 851 4.435 64.135 18.080 1.00 0.00 H
+ATOM 2316 CA VAL A 851 4.225 62.100 18.745 1.00 22.07 C
+ATOM 2317 HA VAL A 851 3.493 61.340 18.471 1.00 0.00 H
+ATOM 2318 C VAL A 851 4.155 62.263 20.275 1.00 22.22 C
+ATOM 2319 O VAL A 851 4.152 63.390 20.749 1.00 23.61 O
+ATOM 2320 CB VAL A 851 5.627 61.598 18.312 1.00 22.57 C
+ATOM 2321 HB VAL A 851 5.857 60.682 18.857 1.00 0.00 H
+ATOM 2322 CG1 VAL A 851 5.602 61.276 16.841 1.00 21.15 C
+ATOM 2323 1HG1 VAL A 851 4.860 60.500 16.653 1.00 0.00 H
+ATOM 2324 2HG1 VAL A 851 5.343 62.173 16.278 1.00 0.00 H
+ATOM 2325 3HG1 VAL A 851 6.585 60.922 16.531 1.00 0.00 H
+ATOM 2326 CG2 VAL A 851 6.759 62.560 18.712 1.00 16.02 C
+ATOM 2327 1HG2 VAL A 851 6.594 63.529 18.242 1.00 0.00 H
+ATOM 2328 2HG2 VAL A 851 6.768 62.677 19.796 1.00 0.00 H
+ATOM 2329 3HG2 VAL A 851 7.714 62.153 18.381 1.00 0.00 H
+ATOM 2330 N LYS A 852 4.049 61.166 21.015 1.00 20.37 N
+ATOM 2331 H LYS A 852 4.036 60.238 20.546 1.00 0.00 H
+ATOM 2332 CA LYS A 852 3.952 61.228 22.441 1.00 21.43 C
+ATOM 2333 HA LYS A 852 4.286 62.220 22.745 1.00 0.00 H
+ATOM 2334 C LYS A 852 4.756 60.105 22.997 1.00 22.69 C
+ATOM 2335 O LYS A 852 4.728 59.002 22.448 1.00 23.06 O
+ATOM 2336 CB LYS A 852 2.531 60.982 22.944 1.00 21.04 C
+ATOM 2337 HB1 LYS A 852 2.147 60.074 22.478 1.00 0.00 H
+ATOM 2338 HB2 LYS A 852 2.560 60.849 24.026 1.00 0.00 H
+ATOM 2339 CG LYS A 852 1.640 62.074 22.635 1.00 20.24 C
+ATOM 2340 HG1 LYS A 852 2.003 62.970 23.138 1.00 0.00 H
+ATOM 2341 HG2 LYS A 852 1.650 62.235 21.557 1.00 0.00 H
+ATOM 2342 CD LYS A 852 0.257 61.832 23.056 1.00 20.78 C
+ATOM 2343 HD1 LYS A 852 -0.081 60.872 22.665 1.00 0.00 H
+ATOM 2344 HD2 LYS A 852 0.204 61.818 24.145 1.00 0.00 H
+ATOM 2345 CE LYS A 852 -0.644 62.957 22.511 1.00 23.65 C
+ATOM 2346 HE1 LYS A 852 -0.861 62.751 21.463 1.00 0.00 H
+ATOM 2347 HE2 LYS A 852 -0.106 63.902 22.590 1.00 0.00 H
+ATOM 2348 NZ LYS A 852 -1.952 63.084 23.258 1.00 23.95 N
+ATOM 2349 HZ1 LYS A 852 -2.481 62.192 23.183 1.00 0.00 H
+ATOM 2350 HZ2 LYS A 852 -1.760 63.291 24.259 1.00 0.00 H
+ATOM 2351 HZ3 LYS A 852 -2.512 63.857 22.845 1.00 0.00 H
+ATOM 2352 N ILE A 853 5.414 60.398 24.114 1.00 23.32 N
+ATOM 2353 H ILE A 853 5.368 61.376 24.463 1.00 0.00 H
+ATOM 2354 CA ILE A 853 6.191 59.441 24.876 1.00 25.16 C
+ATOM 2355 HA ILE A 853 6.813 58.899 24.163 1.00 0.00 H
+ATOM 2356 C ILE A 853 5.299 58.448 25.616 1.00 26.94 C
+ATOM 2357 O ILE A 853 4.322 58.822 26.248 1.00 28.20 O
+ATOM 2358 CB ILE A 853 7.058 60.162 25.906 1.00 25.50 C
+ATOM 2359 HB ILE A 853 6.462 60.844 26.513 1.00 0.00 H
+ATOM 2360 CG1 ILE A 853 8.121 60.998 25.162 1.00 23.31 C
+ATOM 2361 1HG1 ILE A 853 8.978 60.360 24.947 1.00 0.00 H
+ATOM 2362 2HG1 ILE A 853 7.691 61.355 24.226 1.00 0.00 H
+ATOM 2363 CG2 ILE A 853 7.677 59.135 26.856 1.00 22.87 C
+ATOM 2364 1HG2 ILE A 853 6.883 58.589 27.365 1.00 0.00 H
+ATOM 2365 2HG2 ILE A 853 8.291 58.438 26.286 1.00 0.00 H
+ATOM 2366 3HG2 ILE A 853 8.296 59.649 27.591 1.00 0.00 H
+ATOM 2367 CD1 ILE A 853 8.567 62.122 25.916 1.00 24.49 C
+ATOM 2368 1HD1 ILE A 853 7.720 62.774 26.130 1.00 0.00 H
+ATOM 2369 2HD1 ILE A 853 9.008 61.778 26.852 1.00 0.00 H
+ATOM 2370 3HD1 ILE A 853 9.313 62.671 25.341 1.00 0.00 H
+ATOM 2371 N THR A 854 5.630 57.176 25.526 1.00 28.30 N
+ATOM 2372 H THR A 854 6.456 56.889 24.963 1.00 0.00 H
+ATOM 2373 CA THR A 854 4.848 56.193 26.205 1.00 29.77 C
+ATOM 2374 HA THR A 854 4.202 56.702 26.920 1.00 0.00 H
+ATOM 2375 C THR A 854 5.724 55.241 26.985 1.00 30.13 C
+ATOM 2376 O THR A 854 6.938 55.484 27.176 1.00 27.83 O
+ATOM 2377 CB THR A 854 3.953 55.425 25.190 1.00 30.88 C
+ATOM 2378 HB THR A 854 3.607 56.138 24.442 1.00 0.00 H
+ATOM 2379 OG1 THR A 854 2.874 54.825 25.902 1.00 35.56 O
+ATOM 2380 HG1 THR A 854 2.295 54.332 25.268 1.00 0.00 H
+ATOM 2381 CG2 THR A 854 4.741 54.275 24.471 1.00 29.43 C
+ATOM 2382 1HG2 THR A 854 5.118 53.574 25.216 1.00 0.00 H
+ATOM 2383 2HG2 THR A 854 4.074 53.753 23.784 1.00 0.00 H
+ATOM 2384 3HG2 THR A 854 5.576 54.701 23.915 1.00 0.00 H
+ATOM 2385 N ASP A 855 5.075 54.160 27.450 1.00 32.03 N
+ATOM 2386 H ASP A 855 4.053 54.108 27.263 1.00 0.00 H
+ATOM 2387 CA ASP A 855 5.680 53.030 28.208 1.00 33.78 C
+ATOM 2388 HA ASP A 855 4.835 52.417 28.520 1.00 0.00 H
+ATOM 2389 C ASP A 855 6.363 53.401 29.537 1.00 33.83 C
+ATOM 2390 O ASP A 855 7.608 53.507 29.667 1.00 33.45 O
+ATOM 2391 CB ASP A 855 6.595 52.221 27.313 1.00 35.86 C
+ATOM 2392 HB1 ASP A 855 6.165 52.191 26.312 1.00 0.00 H
+ATOM 2393 HB2 ASP A 855 7.567 52.712 27.275 1.00 0.00 H
+ATOM 2394 CG ASP A 855 6.797 50.755 27.812 1.00 41.99 C
+ATOM 2395 OD1 ASP A 855 6.835 50.529 29.073 1.00 41.87 O
+ATOM 2396 OD2 ASP A 855 6.893 49.849 26.898 1.00 47.31 O
+ATOM 2397 N PHE A 856 5.497 53.559 30.523 1.00 34.45 N
+ATOM 2398 H PHE A 856 4.498 53.345 30.329 1.00 0.00 H
+ATOM 2399 CA PHE A 856 5.840 54.004 31.837 1.00 34.55 C
+ATOM 2400 HA PHE A 856 6.794 54.531 31.811 1.00 0.00 H
+ATOM 2401 C PHE A 856 6.128 52.840 32.827 1.00 35.28 C
+ATOM 2402 O PHE A 856 6.319 53.035 34.037 1.00 34.68 O
+ATOM 2403 CB PHE A 856 4.772 54.970 32.296 1.00 34.72 C
+ATOM 2404 HB1 PHE A 856 3.797 54.585 31.997 1.00 0.00 H
+ATOM 2405 HB2 PHE A 856 4.812 55.049 33.382 1.00 0.00 H
+ATOM 2406 CG PHE A 856 4.956 56.335 31.704 1.00 35.22 C
+ATOM 2407 CD1 PHE A 856 5.859 57.239 32.283 1.00 34.16 C
+ATOM 2408 HD1 PHE A 856 6.382 56.958 33.197 1.00 0.00 H
+ATOM 2409 CD2 PHE A 856 4.305 56.698 30.529 1.00 34.88 C
+ATOM 2410 HD2 PHE A 856 3.618 56.001 30.050 1.00 0.00 H
+ATOM 2411 CE1 PHE A 856 6.099 58.478 31.719 1.00 31.51 C
+ATOM 2412 HE1 PHE A 856 6.804 59.166 32.185 1.00 0.00 H
+ATOM 2413 CE2 PHE A 856 4.530 57.950 29.965 1.00 32.43 C
+ATOM 2414 HE2 PHE A 856 4.001 58.246 29.059 1.00 0.00 H
+ATOM 2415 CZ PHE A 856 5.445 58.833 30.572 1.00 32.04 C
+ATOM 2416 HZ PHE A 856 5.633 59.808 30.123 1.00 0.00 H
+ATOM 2417 N GLY A 857 6.295 51.655 32.242 1.00 34.78 N
+ATOM 2418 H GLY A 857 6.136 51.589 31.216 1.00 0.00 H
+ATOM 2419 CA GLY A 857 6.681 50.464 32.944 1.00 35.08 C
+ATOM 2420 HA1 GLY A 857 5.834 50.184 33.571 1.00 0.00 H
+ATOM 2421 HA2 GLY A 857 6.842 49.695 32.188 1.00 0.00 H
+ATOM 2422 C GLY A 857 7.903 50.453 33.838 1.00 35.70 C
+ATOM 2423 O GLY A 857 7.917 49.685 34.770 1.00 38.40 O
+ATOM 2424 N LEU A 858 8.926 51.259 33.594 1.00 34.85 N
+ATOM 2425 H LEU A 858 8.902 51.902 32.777 1.00 0.00 H
+ATOM 2426 CA LEU A 858 10.053 51.241 34.452 1.00 33.34 C
+ATOM 2427 HA LEU A 858 9.951 50.464 35.210 1.00 0.00 H
+ATOM 2428 C LEU A 858 10.153 52.558 35.140 1.00 32.44 C
+ATOM 2429 O LEU A 858 11.082 52.805 35.885 1.00 31.87 O
+ATOM 2430 CB LEU A 858 11.291 50.937 33.644 1.00 34.21 C
+ATOM 2431 HB1 LEU A 858 11.352 51.658 32.829 1.00 0.00 H
+ATOM 2432 HB2 LEU A 858 12.159 51.051 34.294 1.00 0.00 H
+ATOM 2433 CG LEU A 858 11.326 49.511 33.034 1.00 38.63 C
+ATOM 2434 HG LEU A 858 10.327 49.359 32.625 1.00 0.00 H
+ATOM 2435 CD1 LEU A 858 12.419 49.423 31.996 1.00 40.01 C
+ATOM 2436 1HD1 LEU A 858 12.227 50.148 31.205 1.00 0.00 H
+ATOM 2437 2HD1 LEU A 858 13.380 49.639 32.463 1.00 0.00 H
+ATOM 2438 3HD1 LEU A 858 12.436 48.419 31.573 1.00 0.00 H
+ATOM 2439 CD2 LEU A 858 11.629 48.376 34.069 1.00 36.44 C
+ATOM 2440 1HD2 LEU A 858 12.603 48.553 34.525 1.00 0.00 H
+ATOM 2441 2HD2 LEU A 858 10.859 48.375 34.841 1.00 0.00 H
+ATOM 2442 3HD2 LEU A 858 11.635 47.413 33.559 1.00 0.00 H
+ATOM 2443 N ALA A 859 9.191 53.421 34.896 1.00 31.88 N
+ATOM 2444 H ALA A 859 8.340 53.115 34.382 1.00 0.00 H
+ATOM 2445 CA ALA A 859 9.312 54.816 35.346 1.00 34.08 C
+ATOM 2446 HA ALA A 859 10.293 55.181 35.042 1.00 0.00 H
+ATOM 2447 C ALA A 859 9.242 54.957 36.856 1.00 36.82 C
+ATOM 2448 O ALA A 859 8.601 54.146 37.521 1.00 36.73 O
+ATOM 2449 CB ALA A 859 8.187 55.641 34.696 1.00 33.10 C
+ATOM 2450 HB1 ALA A 859 8.282 55.591 33.611 1.00 0.00 H
+ATOM 2451 HB2 ALA A 859 7.221 55.236 34.997 1.00 0.00 H
+ATOM 2452 HB3 ALA A 859 8.265 56.678 35.021 1.00 0.00 H
+ATOM 2453 N LYS A 860 9.846 56.022 37.397 1.00 39.65 N
+ATOM 2454 H LYS A 860 10.283 56.716 36.757 1.00 0.00 H
+ATOM 2455 CA LYS A 860 9.925 56.263 38.821 1.00 41.34 C
+ATOM 2456 HA LYS A 860 9.170 55.652 39.316 1.00 0.00 H
+ATOM 2457 C LYS A 860 9.673 57.696 39.136 1.00 43.45 C
+ATOM 2458 O LYS A 860 10.384 58.549 38.633 1.00 44.04 O
+ATOM 2459 CB LYS A 860 11.297 55.915 39.293 1.00 40.59 C
+ATOM 2460 HB1 LYS A 860 12.025 56.479 38.710 1.00 0.00 H
+ATOM 2461 HB2 LYS A 860 11.388 56.184 40.345 1.00 0.00 H
+ATOM 2462 CG LYS A 860 11.581 54.441 39.138 1.00 44.76 C
+ATOM 2463 HG1 LYS A 860 11.179 54.099 38.184 1.00 0.00 H
+ATOM 2464 HG2 LYS A 860 12.659 54.283 39.154 1.00 0.00 H
+ATOM 2465 CD LYS A 860 10.939 53.631 40.272 1.00 48.45 C
+ATOM 2466 HD1 LYS A 860 11.732 53.119 40.817 1.00 0.00 H
+ATOM 2467 HD2 LYS A 860 10.430 54.325 40.941 1.00 0.00 H
+ATOM 2468 CE LYS A 860 9.928 52.587 39.810 1.00 52.95 C
+ATOM 2469 HE1 LYS A 860 9.279 53.027 39.053 1.00 0.00 H
+ATOM 2470 HE2 LYS A 860 9.327 52.269 40.662 1.00 0.00 H
+ATOM 2471 NZ LYS A 860 10.603 51.433 39.246 1.00 49.25 N
+ATOM 2472 HZ1 LYS A 860 11.175 51.732 38.430 1.00 0.00 H
+ATOM 2473 HZ2 LYS A 860 11.221 51.008 39.967 1.00 0.00 H
+ATOM 2474 HZ3 LYS A 860 9.896 50.735 38.938 1.00 0.00 H
+ATOM 2475 N LEU A 861 8.651 57.972 39.956 1.00 46.27 N
+ATOM 2476 H LEU A 861 8.004 57.205 40.230 1.00 0.00 H
+ATOM 2477 CA LEU A 861 8.413 59.333 40.485 1.00 49.44 C
+ATOM 2478 HA LEU A 861 8.544 60.084 39.706 1.00 0.00 H
+ATOM 2479 C LEU A 861 9.386 59.444 41.611 1.00 50.55 C
+ATOM 2480 O LEU A 861 9.420 58.556 42.419 1.00 52.53 O
+ATOM 2481 CB LEU A 861 6.984 59.562 40.981 1.00 48.63 C
+ATOM 2482 HB1 LEU A 861 6.604 58.613 41.360 1.00 0.00 H
+ATOM 2483 HB2 LEU A 861 7.023 60.287 41.794 1.00 0.00 H
+ATOM 2484 CG LEU A 861 5.974 60.092 39.914 1.00 51.28 C
+ATOM 2485 HG LEU A 861 6.150 59.449 39.052 1.00 0.00 H
+ATOM 2486 CD1 LEU A 861 4.413 59.891 40.234 1.00 48.55 C
+ATOM 2487 1HD1 LEU A 861 4.199 58.828 40.341 1.00 0.00 H
+ATOM 2488 2HD1 LEU A 861 4.164 60.408 41.160 1.00 0.00 H
+ATOM 2489 3HD1 LEU A 861 3.820 60.301 39.416 1.00 0.00 H
+ATOM 2490 CD2 LEU A 861 6.271 61.577 39.566 1.00 52.08 C
+ATOM 2491 1HD2 LEU A 861 6.184 62.184 40.467 1.00 0.00 H
+ATOM 2492 2HD2 LEU A 861 7.282 61.660 39.167 1.00 0.00 H
+ATOM 2493 3HD2 LEU A 861 5.555 61.924 38.821 1.00 0.00 H
+ATOM 2494 N LEU A 862 10.238 60.455 41.597 1.00 51.29 N
+ATOM 2495 H LEU A 862 10.221 61.118 40.796 1.00 0.00 H
+ATOM 2496 CA LEU A 862 11.182 60.664 42.649 1.00 52.62 C
+ATOM 2497 HA LEU A 862 11.597 59.708 42.967 1.00 0.00 H
+ATOM 2498 C LEU A 862 10.438 61.371 43.792 1.00 55.40 C
+ATOM 2499 O LEU A 862 9.738 62.420 43.588 1.00 54.49 O
+ATOM 2500 CB LEU A 862 12.333 61.538 42.188 1.00 51.99 C
+ATOM 2501 HB1 LEU A 862 11.896 62.474 41.841 1.00 0.00 H
+ATOM 2502 HB2 LEU A 862 12.952 61.730 43.065 1.00 0.00 H
+ATOM 2503 CG LEU A 862 13.277 61.053 41.079 1.00 51.86 C
+ATOM 2504 HG LEU A 862 12.670 60.715 40.239 1.00 0.00 H
+ATOM 2505 CD1 LEU A 862 14.166 62.202 40.621 1.00 48.49 C
+ATOM 2506 1HD1 LEU A 862 13.544 63.011 40.238 1.00 0.00 H
+ATOM 2507 2HD1 LEU A 862 14.755 62.563 41.465 1.00 0.00 H
+ATOM 2508 3HD1 LEU A 862 14.834 61.852 39.834 1.00 0.00 H
+ATOM 2509 CD2 LEU A 862 14.111 59.864 41.527 1.00 46.50 C
+ATOM 2510 1HD2 LEU A 862 14.713 60.149 42.390 1.00 0.00 H
+ATOM 2511 2HD2 LEU A 862 13.451 59.041 41.799 1.00 0.00 H
+ATOM 2512 3HD2 LEU A 862 14.765 59.553 40.712 1.00 0.00 H
+ATOM 2513 N GLY A 863 10.573 60.787 44.995 1.00 57.39 N
+ATOM 2514 H GLY A 863 11.064 59.873 45.067 1.00 0.00 H
+ATOM 2515 CA GLY A 863 10.046 61.410 46.197 1.00 60.01 C
+ATOM 2516 HA1 GLY A 863 9.131 61.953 45.959 1.00 0.00 H
+ATOM 2517 HA2 GLY A 863 9.830 60.645 46.943 1.00 0.00 H
+ATOM 2518 C GLY A 863 11.089 62.375 46.739 1.00 61.50 C
+ATOM 2519 O GLY A 863 12.207 62.417 46.195 1.00 60.80 O
+ATOM 2520 N ALA A 864 10.693 63.149 47.774 1.00 63.51 N
+ATOM 2521 H ALA A 864 9.671 63.198 47.962 1.00 0.00 H
+ATOM 2522 CA ALA A 864 11.584 63.939 48.671 1.00 65.70 C
+ATOM 2523 HA ALA A 864 10.891 64.637 49.141 1.00 0.00 H
+ATOM 2524 C ALA A 864 12.657 64.844 48.011 1.00 67.34 C
+ATOM 2525 O ALA A 864 12.421 65.632 47.033 1.00 67.63 O
+ATOM 2526 CB ALA A 864 12.303 62.980 49.714 1.00 65.72 C
+ATOM 2527 HB1 ALA A 864 11.550 62.471 50.316 1.00 0.00 H
+ATOM 2528 HB2 ALA A 864 12.900 62.243 49.177 1.00 0.00 H
+ATOM 2529 HB3 ALA A 864 12.950 63.571 50.362 1.00 0.00 H
+ATOM 2530 N GLU A 865 13.843 64.717 48.601 1.00 68.14 N
+ATOM 2531 H GLU A 865 13.897 64.197 49.500 1.00 0.00 H
+ATOM 2532 CA GLU A 865 15.051 65.266 48.052 1.00 68.94 C
+ATOM 2533 HA GLU A 865 14.890 65.949 47.218 1.00 0.00 H
+ATOM 2534 C GLU A 865 15.856 64.048 47.569 1.00 68.66 C
+ATOM 2535 O GLU A 865 17.076 63.986 47.676 1.00 70.06 O
+ATOM 2536 CB GLU A 865 15.768 66.115 49.121 1.00 69.27 C
+ATOM 2537 HB1 GLU A 865 15.113 66.926 49.438 1.00 0.00 H
+ATOM 2538 HB2 GLU A 865 16.012 65.487 49.978 1.00 0.00 H
+ATOM 2539 N GLU A 866 15.154 63.054 47.055 1.00 67.58 N
+ATOM 2540 H GLU A 866 14.120 63.041 47.163 1.00 0.00 H
+ATOM 2541 CA GLU A 866 15.814 61.986 46.344 1.00 66.96 C
+ATOM 2542 HA GLU A 866 16.632 61.528 46.900 1.00 0.00 H
+ATOM 2543 C GLU A 866 16.347 62.631 45.044 1.00 66.64 C
+ATOM 2544 O GLU A 866 15.592 63.217 44.254 1.00 67.26 O
+ATOM 2545 CB GLU A 866 14.787 60.886 46.061 1.00 66.62 C
+ATOM 2546 HB1 GLU A 866 14.176 60.764 46.955 1.00 0.00 H
+ATOM 2547 HB2 GLU A 866 14.159 61.222 45.236 1.00 0.00 H
+ATOM 2548 CG GLU A 866 15.346 59.525 45.693 1.00 68.17 C
+ATOM 2549 HG1 GLU A 866 16.073 59.658 44.892 1.00 0.00 H
+ATOM 2550 HG2 GLU A 866 15.844 59.110 46.569 1.00 0.00 H
+ATOM 2551 CD GLU A 866 14.260 58.499 45.210 1.00 68.86 C
+ATOM 2552 OE1 GLU A 866 13.024 58.786 45.279 1.00 67.87 O
+ATOM 2553 OE2 GLU A 866 14.669 57.394 44.751 1.00 67.62 O
+ATOM 2554 N LYS A 867 17.648 62.573 44.824 1.00 65.73 N
+ATOM 2555 H LYS A 867 18.276 62.127 45.523 1.00 0.00 H
+ATOM 2556 CA LYS A 867 18.208 63.144 43.582 1.00 64.83 C
+ATOM 2557 HA LYS A 867 17.471 63.832 43.168 1.00 0.00 H
+ATOM 2558 C LYS A 867 18.415 62.055 42.466 1.00 63.47 C
+ATOM 2559 O LYS A 867 18.494 62.355 41.296 1.00 63.32 O
+ATOM 2560 CB LYS A 867 19.477 64.002 43.873 1.00 64.68 C
+ATOM 2561 HB1 LYS A 867 19.215 64.820 44.544 1.00 0.00 H
+ATOM 2562 HB2 LYS A 867 20.237 63.377 44.341 1.00 0.00 H
+ATOM 2563 N GLU A 868 18.449 60.786 42.840 1.00 62.40 N
+ATOM 2564 H GLU A 868 18.345 60.564 43.851 1.00 0.00 H
+ATOM 2565 CA GLU A 868 18.628 59.669 41.889 1.00 61.42 C
+ATOM 2566 HA GLU A 868 18.395 60.044 40.892 1.00 0.00 H
+ATOM 2567 C GLU A 868 17.697 58.500 42.274 1.00 60.13 C
+ATOM 2568 O GLU A 868 17.066 58.521 43.336 1.00 59.11 O
+ATOM 2569 CB GLU A 868 20.062 59.144 41.927 1.00 61.46 C
+ATOM 2570 HB1 GLU A 868 20.075 58.225 42.513 1.00 0.00 H
+ATOM 2571 HB2 GLU A 868 20.375 58.927 40.906 1.00 0.00 H
+ATOM 2572 CG GLU A 868 21.053 60.107 42.532 1.00 64.67 C
+ATOM 2573 HG1 GLU A 868 21.046 61.029 41.951 1.00 0.00 H
+ATOM 2574 HG2 GLU A 868 20.752 60.323 43.557 1.00 0.00 H
+ATOM 2575 CD GLU A 868 22.459 59.548 42.544 1.00 69.54 C
+ATOM 2576 OE1 GLU A 868 23.331 60.228 41.952 1.00 69.00 O
+ATOM 2577 OE2 GLU A 868 22.681 58.431 43.103 1.00 71.21 O
+ATOM 2578 N TYR A 869 17.608 57.502 41.403 1.00 58.66 N
+ATOM 2579 H TYR A 869 18.040 57.608 40.463 1.00 0.00 H
+ATOM 2580 CA TYR A 869 16.928 56.277 41.729 1.00 58.11 C
+ATOM 2581 HA TYR A 869 16.511 56.350 42.733 1.00 0.00 H
+ATOM 2582 C TYR A 869 17.925 55.154 41.666 1.00 58.24 C
+ATOM 2583 O TYR A 869 18.619 54.979 40.674 1.00 57.95 O
+ATOM 2584 CB TYR A 869 15.756 56.019 40.787 1.00 57.72 C
+ATOM 2585 HB1 TYR A 869 15.014 56.803 40.942 1.00 0.00 H
+ATOM 2586 HB2 TYR A 869 16.124 56.066 39.762 1.00 0.00 H
+ATOM 2587 CG TYR A 869 15.077 54.672 40.989 1.00 55.97 C
+ATOM 2588 CD1 TYR A 869 14.211 54.442 42.090 1.00 57.80 C
+ATOM 2589 HD1 TYR A 869 14.030 55.249 42.800 1.00 0.00 H
+ATOM 2590 CD2 TYR A 869 15.264 53.648 40.092 1.00 51.85 C
+ATOM 2591 HD2 TYR A 869 15.917 53.798 39.232 1.00 0.00 H
+ATOM 2592 CE1 TYR A 869 13.578 53.195 42.290 1.00 53.82 C
+ATOM 2593 HE1 TYR A 869 12.931 53.034 43.152 1.00 0.00 H
+ATOM 2594 CE2 TYR A 869 14.629 52.419 40.267 1.00 55.43 C
+ATOM 2595 HE2 TYR A 869 14.781 51.626 39.535 1.00 0.00 H
+ATOM 2596 CZ TYR A 869 13.791 52.189 41.381 1.00 56.23 C
+ATOM 2597 OH TYR A 869 13.150 50.952 41.534 1.00 56.54 O
+ATOM 2598 HH TYR A 869 12.607 50.963 42.362 1.00 0.00 H
+ATOM 2599 N HIS A 870 18.011 54.389 42.740 1.00 59.51 N
+ATOM 2600 H HIS A 870 17.457 54.623 43.589 1.00 0.00 H
+ATOM 2601 CA HIS A 870 18.875 53.225 42.739 1.00 60.92 C
+ATOM 2602 HA HIS A 870 19.608 53.285 41.935 1.00 0.00 H
+ATOM 2603 C HIS A 870 18.001 51.995 42.496 1.00 60.46 C
+ATOM 2604 O HIS A 870 17.192 51.688 43.328 1.00 61.56 O
+ATOM 2605 CB HIS A 870 19.731 53.151 44.018 1.00 61.09 C
+ATOM 2606 HB1 HIS A 870 20.445 53.974 44.009 1.00 0.00 H
+ATOM 2607 HB2 HIS A 870 19.076 53.250 44.883 1.00 0.00 H
+ATOM 2608 CG HIS A 870 20.488 51.858 44.132 1.00 68.80 C
+ATOM 2609 ND1 HIS A 870 20.213 50.909 45.105 1.00 74.07 N
+ATOM 2610 CD2 HIS A 870 21.457 51.318 43.343 1.00 70.88 C
+ATOM 2611 HD2 HIS A 870 21.914 51.784 42.470 1.00 0.00 H
+ATOM 2612 CE1 HIS A 870 20.993 49.851 44.917 1.00 75.00 C
+ATOM 2613 HE1 HIS A 870 21.006 48.952 45.533 1.00 0.00 H
+ATOM 2614 NE2 HIS A 870 21.753 50.072 43.854 1.00 72.63 N
+ATOM 2615 N ALA A 871 18.101 51.354 41.328 1.00 61.03 N
+ATOM 2616 H ALA A 871 18.821 51.674 40.649 1.00 0.00 H
+ATOM 2617 CA ALA A 871 17.243 50.216 40.953 1.00 61.64 C
+ATOM 2618 HA ALA A 871 16.251 50.442 41.344 1.00 0.00 H
+ATOM 2619 C ALA A 871 17.695 48.887 41.592 1.00 62.80 C
+ATOM 2620 O ALA A 871 18.858 48.759 42.027 1.00 62.58 O
+ATOM 2621 CB ALA A 871 17.168 50.066 39.447 1.00 61.01 C
+ATOM 2622 HB1 ALA A 871 16.753 50.976 39.013 1.00 0.00 H
+ATOM 2623 HB2 ALA A 871 18.169 49.896 39.050 1.00 0.00 H
+ATOM 2624 HB3 ALA A 871 16.529 49.219 39.199 1.00 0.00 H
+ATOM 2625 N GLU A 872 16.770 47.925 41.657 1.00 63.53 N
+ATOM 2626 H GLU A 872 15.821 48.108 41.273 1.00 0.00 H
+ATOM 2627 CA GLU A 872 17.058 46.620 42.255 1.00 65.07 C
+ATOM 2628 HA GLU A 872 17.758 46.737 43.082 1.00 0.00 H
+ATOM 2629 C GLU A 872 17.685 45.760 41.173 1.00 65.13 C
+ATOM 2630 O GLU A 872 18.821 45.965 40.867 1.00 66.35 O
+ATOM 2631 CB GLU A 872 15.824 45.965 42.941 1.00 64.79 C
+ATOM 2632 HB1 GLU A 872 15.464 46.617 43.737 1.00 0.00 H
+ATOM 2633 HB2 GLU A 872 15.035 45.820 42.204 1.00 0.00 H
+ATOM 2634 N GLY A 873 16.981 44.828 40.552 1.00 65.70 N
+ATOM 2635 H GLY A 873 15.949 44.769 40.664 1.00 0.00 H
+ATOM 2636 CA GLY A 873 17.706 43.883 39.702 1.00 65.57 C
+ATOM 2637 HA1 GLY A 873 18.685 44.326 39.520 1.00 0.00 H
+ATOM 2638 HA2 GLY A 873 17.824 42.973 40.290 1.00 0.00 H
+ATOM 2639 C GLY A 873 17.178 43.446 38.345 1.00 66.07 C
+ATOM 2640 O GLY A 873 17.879 42.696 37.648 1.00 67.41 O
+ATOM 2641 N GLY A 874 15.983 43.897 37.932 1.00 65.86 N
+ATOM 2642 H GLY A 874 15.511 44.639 38.487 1.00 0.00 H
+ATOM 2643 CA GLY A 874 15.299 43.371 36.697 1.00 64.72 C
+ATOM 2644 HA1 GLY A 874 15.088 42.318 36.883 1.00 0.00 H
+ATOM 2645 HA2 GLY A 874 14.361 43.918 36.604 1.00 0.00 H
+ATOM 2646 C GLY A 874 15.990 43.445 35.319 1.00 64.42 C
+ATOM 2647 O GLY A 874 17.101 43.987 35.210 1.00 63.79 O
+ATOM 2648 N LYS A 875 15.326 42.889 34.277 1.00 63.65 N
+ATOM 2649 H LYS A 875 14.463 42.347 34.482 1.00 0.00 H
+ATOM 2650 CA LYS A 875 15.754 43.006 32.860 1.00 62.59 C
+ATOM 2651 HA LYS A 875 16.819 42.777 32.813 1.00 0.00 H
+ATOM 2652 C LYS A 875 15.508 44.457 32.382 1.00 61.95 C
+ATOM 2653 O LYS A 875 14.372 45.000 32.467 1.00 62.92 O
+ATOM 2654 CB LYS A 875 15.092 41.963 31.916 1.00 61.84 C
+ATOM 2655 HB1 LYS A 875 15.349 40.958 32.250 1.00 0.00 H
+ATOM 2656 HB2 LYS A 875 14.010 42.089 31.939 1.00 0.00 H
+ATOM 2657 N VAL A 876 16.579 45.073 31.875 1.00 59.64 N
+ATOM 2658 H VAL A 876 17.399 44.497 31.598 1.00 0.00 H
+ATOM 2659 CA VAL A 876 16.649 46.507 31.694 1.00 56.97 C
+ATOM 2660 HA VAL A 876 15.715 47.061 31.599 1.00 0.00 H
+ATOM 2661 C VAL A 876 17.373 46.753 30.312 1.00 56.44 C
+ATOM 2662 O VAL A 876 18.272 45.988 29.921 1.00 56.65 O
+ATOM 2663 CB VAL A 876 17.324 47.025 32.990 1.00 57.08 C
+ATOM 2664 HB VAL A 876 17.079 46.330 33.794 1.00 0.00 H
+ATOM 2665 CG1 VAL A 876 18.863 46.932 32.908 1.00 55.84 C
+ATOM 2666 1HG1 VAL A 876 19.156 45.893 32.760 1.00 0.00 H
+ATOM 2667 2HG1 VAL A 876 19.218 47.534 32.071 1.00 0.00 H
+ATOM 2668 3HG1 VAL A 876 19.298 47.304 33.835 1.00 0.00 H
+ATOM 2669 CG2 VAL A 876 16.687 48.302 33.601 1.00 54.85 C
+ATOM 2670 1HG2 VAL A 876 16.739 49.115 32.877 1.00 0.00 H
+ATOM 2671 2HG2 VAL A 876 15.645 48.103 33.851 1.00 0.00 H
+ATOM 2672 3HG2 VAL A 876 17.231 48.582 34.503 1.00 0.00 H
+ATOM 2673 N PRO A 877 16.941 47.766 29.509 1.00 55.13 N
+ATOM 2674 CA PRO A 877 17.467 47.839 28.099 1.00 52.78 C
+ATOM 2675 HA PRO A 877 17.607 46.857 27.647 1.00 0.00 H
+ATOM 2676 C PRO A 877 18.887 48.499 28.015 1.00 50.75 C
+ATOM 2677 O PRO A 877 19.042 49.736 28.163 1.00 49.60 O
+ATOM 2678 CB PRO A 877 16.430 48.689 27.422 1.00 52.81 C
+ATOM 2679 HB1 PRO A 877 16.837 49.183 26.540 1.00 0.00 H
+ATOM 2680 HB2 PRO A 877 15.559 48.099 27.137 1.00 0.00 H
+ATOM 2681 CG PRO A 877 16.080 49.711 28.528 1.00 52.75 C
+ATOM 2682 HG1 PRO A 877 16.834 50.497 28.575 1.00 0.00 H
+ATOM 2683 HG2 PRO A 877 15.103 50.157 28.341 1.00 0.00 H
+ATOM 2684 CD PRO A 877 16.062 48.912 29.818 1.00 54.64 C
+ATOM 2685 HD1 PRO A 877 15.053 48.579 30.059 1.00 0.00 H
+ATOM 2686 HD2 PRO A 877 16.458 49.498 30.648 1.00 0.00 H
+ATOM 2687 N ILE A 878 19.907 47.661 27.798 1.00 48.11 N
+ATOM 2688 H ILE A 878 19.706 46.694 27.473 1.00 0.00 H
+ATOM 2689 CA ILE A 878 21.313 48.071 28.007 1.00 45.89 C
+ATOM 2690 HA ILE A 878 21.368 48.595 28.961 1.00 0.00 H
+ATOM 2691 C ILE A 878 21.803 49.084 26.931 1.00 43.37 C
+ATOM 2692 O ILE A 878 22.530 50.050 27.190 1.00 41.80 O
+ATOM 2693 CB ILE A 878 22.246 46.797 28.077 1.00 46.29 C
+ATOM 2694 HB ILE A 878 22.018 46.163 27.220 1.00 0.00 H
+ATOM 2695 CG1 ILE A 878 21.974 46.028 29.380 1.00 46.96 C
+ATOM 2696 1HG1 ILE A 878 20.895 45.915 29.490 1.00 0.00 H
+ATOM 2697 2HG1 ILE A 878 22.434 45.043 29.296 1.00 0.00 H
+ATOM 2698 CG2 ILE A 878 23.714 47.175 27.995 1.00 44.18 C
+ATOM 2699 1HG2 ILE A 878 23.903 47.690 27.053 1.00 0.00 H
+ATOM 2700 2HG2 ILE A 878 23.965 47.833 28.827 1.00 0.00 H
+ATOM 2701 3HG2 ILE A 878 24.324 46.273 28.046 1.00 0.00 H
+ATOM 2702 CD1 ILE A 878 22.521 46.710 30.658 1.00 47.92 C
+ATOM 2703 1HD1 ILE A 878 23.602 46.820 30.575 1.00 0.00 H
+ATOM 2704 2HD1 ILE A 878 22.062 47.692 30.769 1.00 0.00 H
+ATOM 2705 3HD1 ILE A 878 22.282 46.096 31.526 1.00 0.00 H
+ATOM 2706 N LYS A 879 21.368 48.827 25.714 1.00 40.97 N
+ATOM 2707 H LYS A 879 20.715 48.034 25.552 1.00 0.00 H
+ATOM 2708 CA LYS A 879 21.796 49.644 24.607 1.00 39.47 C
+ATOM 2709 HA LYS A 879 22.875 49.776 24.688 1.00 0.00 H
+ATOM 2710 C LYS A 879 21.280 51.125 24.653 1.00 37.39 C
+ATOM 2711 O LYS A 879 21.763 51.945 23.929 1.00 36.53 O
+ATOM 2712 CB LYS A 879 21.506 48.911 23.287 1.00 38.79 C
+ATOM 2713 HB1 LYS A 879 20.449 48.649 23.248 1.00 0.00 H
+ATOM 2714 HB2 LYS A 879 21.747 49.568 22.452 1.00 0.00 H
+ATOM 2715 CG LYS A 879 22.332 47.655 23.183 1.00 37.22 C
+ATOM 2716 HG1 LYS A 879 23.385 47.938 23.177 1.00 0.00 H
+ATOM 2717 HG2 LYS A 879 22.128 47.038 24.058 1.00 0.00 H
+ATOM 2718 CD LYS A 879 22.060 46.846 21.969 1.00 38.85 C
+ATOM 2719 HD1 LYS A 879 21.040 46.464 22.003 1.00 0.00 H
+ATOM 2720 HD2 LYS A 879 22.186 47.463 21.080 1.00 0.00 H
+ATOM 2721 CE LYS A 879 23.052 45.673 21.931 1.00 43.62 C
+ATOM 2722 HE1 LYS A 879 22.801 44.968 22.724 1.00 0.00 H
+ATOM 2723 HE2 LYS A 879 24.061 46.054 22.091 1.00 0.00 H
+ATOM 2724 NZ LYS A 879 22.997 44.959 20.597 1.00 44.01 N
+ATOM 2725 HZ1 LYS A 879 22.037 44.590 20.442 1.00 0.00 H
+ATOM 2726 HZ2 LYS A 879 23.240 45.627 19.838 1.00 0.00 H
+ATOM 2727 HZ3 LYS A 879 23.676 44.172 20.598 1.00 0.00 H
+ATOM 2728 N TRP A 880 20.333 51.443 25.535 1.00 35.84 N
+ATOM 2729 H TRP A 880 19.955 50.702 26.159 1.00 0.00 H
+ATOM 2730 CA TRP A 880 19.815 52.788 25.650 1.00 32.53 C
+ATOM 2731 HA TRP A 880 20.195 53.363 24.806 1.00 0.00 H
+ATOM 2732 C TRP A 880 20.237 53.374 26.928 1.00 33.19 C
+ATOM 2733 O TRP A 880 19.791 54.455 27.249 1.00 33.26 O
+ATOM 2734 CB TRP A 880 18.315 52.781 25.642 1.00 31.74 C
+ATOM 2735 HB1 TRP A 880 17.963 51.965 26.273 1.00 0.00 H
+ATOM 2736 HB2 TRP A 880 17.956 53.729 26.042 1.00 0.00 H
+ATOM 2737 CG TRP A 880 17.783 52.604 24.307 1.00 27.95 C
+ATOM 2738 CD1 TRP A 880 17.295 53.565 23.506 1.00 26.22 C
+ATOM 2739 HD1 TRP A 880 17.209 54.617 23.778 1.00 0.00 H
+ATOM 2740 CD2 TRP A 880 17.749 51.396 23.565 1.00 27.48 C
+ATOM 2741 NE1 TRP A 880 16.919 53.034 22.293 1.00 27.35 N
+ATOM 2742 HE1 TRP A 880 16.494 53.561 21.504 1.00 0.00 H
+ATOM 2743 CE2 TRP A 880 17.198 51.701 22.301 1.00 26.36 C
+ATOM 2744 CE3 TRP A 880 18.160 50.080 23.836 1.00 30.04 C
+ATOM 2745 HE3 TRP A 880 18.634 49.827 24.785 1.00 0.00 H
+ATOM 2746 CZ2 TRP A 880 17.045 50.758 21.301 1.00 26.71 C
+ATOM 2747 HZ2 TRP A 880 16.659 51.023 20.317 1.00 0.00 H
+ATOM 2748 CZ3 TRP A 880 17.952 49.128 22.884 1.00 28.34 C
+ATOM 2749 HZ3 TRP A 880 18.207 48.089 23.095 1.00 0.00 H
+ATOM 2750 CH2 TRP A 880 17.404 49.476 21.612 1.00 31.83 C
+ATOM 2751 HH2 TRP A 880 17.268 48.694 20.865 1.00 0.00 H
+ATOM 2752 N MET A 881 21.108 52.702 27.677 1.00 33.79 N
+ATOM 2753 H MET A 881 21.580 51.855 27.301 1.00 0.00 H
+ATOM 2754 CA MET A 881 21.395 53.163 29.028 1.00 33.06 C
+ATOM 2755 HA MET A 881 20.602 53.887 29.213 1.00 0.00 H
+ATOM 2756 C MET A 881 22.647 53.916 29.246 1.00 33.53 C
+ATOM 2757 O MET A 881 23.710 53.617 28.718 1.00 33.74 O
+ATOM 2758 CB MET A 881 21.375 51.978 29.994 1.00 35.08 C
+ATOM 2759 HB1 MET A 881 21.652 51.084 29.435 1.00 0.00 H
+ATOM 2760 HB2 MET A 881 22.118 52.164 30.770 1.00 0.00 H
+ATOM 2761 CG MET A 881 19.968 51.696 30.713 1.00 33.05 C
+ATOM 2762 HG1 MET A 881 19.144 51.867 30.021 1.00 0.00 H
+ATOM 2763 HG2 MET A 881 19.848 52.340 31.584 1.00 0.00 H
+ATOM 2764 SD MET A 881 20.030 49.917 31.223 1.00 41.76 S
+ATOM 2765 CE MET A 881 21.003 50.219 32.700 1.00 31.68 C
+ATOM 2766 HE1 MET A 881 21.953 50.674 32.421 1.00 0.00 H
+ATOM 2767 HE2 MET A 881 20.457 50.892 33.362 1.00 0.00 H
+ATOM 2768 HE3 MET A 881 21.187 49.274 33.212 1.00 0.00 H
+ATOM 2769 N ALA A 882 22.526 54.907 30.092 1.00 34.61 N
+ATOM 2770 H ALA A 882 21.577 55.174 30.424 1.00 0.00 H
+ATOM 2771 CA ALA A 882 23.652 55.630 30.571 1.00 36.67 C
+ATOM 2772 HA ALA A 882 24.165 56.116 29.741 1.00 0.00 H
+ATOM 2773 C ALA A 882 24.606 54.649 31.265 1.00 39.87 C
+ATOM 2774 O ALA A 882 24.193 53.557 31.800 1.00 39.73 O
+ATOM 2775 CB ALA A 882 23.209 56.667 31.524 1.00 35.10 C
+ATOM 2776 HB1 ALA A 882 22.526 57.352 31.022 1.00 0.00 H
+ATOM 2777 HB2 ALA A 882 22.699 56.194 32.363 1.00 0.00 H
+ATOM 2778 HB3 ALA A 882 24.076 57.218 31.888 1.00 0.00 H
+ATOM 2779 N LEU A 883 25.878 55.037 31.298 1.00 41.00 N
+ATOM 2780 H LEU A 883 26.146 55.997 31.001 1.00 0.00 H
+ATOM 2781 CA LEU A 883 26.877 54.105 31.752 1.00 41.89 C
+ATOM 2782 HA LEU A 883 26.716 53.121 31.313 1.00 0.00 H
+ATOM 2783 C LEU A 883 26.762 53.996 33.281 1.00 41.85 C
+ATOM 2784 O LEU A 883 26.929 52.919 33.795 1.00 41.51 O
+ATOM 2785 CB LEU A 883 28.275 54.555 31.305 1.00 42.44 C
+ATOM 2786 HB1 LEU A 883 28.298 54.576 30.215 1.00 0.00 H
+ATOM 2787 HB2 LEU A 883 28.453 55.559 31.690 1.00 0.00 H
+ATOM 2788 CG LEU A 883 29.401 53.645 31.793 1.00 42.04 C
+ATOM 2789 HG LEU A 883 29.154 53.349 32.813 1.00 0.00 H
+ATOM 2790 CD1 LEU A 883 29.498 52.313 30.998 1.00 42.10 C
+ATOM 2791 1HD1 LEU A 883 28.562 51.763 31.097 1.00 0.00 H
+ATOM 2792 2HD1 LEU A 883 29.682 52.532 29.946 1.00 0.00 H
+ATOM 2793 3HD1 LEU A 883 30.317 51.713 31.395 1.00 0.00 H
+ATOM 2794 CD2 LEU A 883 30.722 54.397 31.837 1.00 41.03 C
+ATOM 2795 1HD2 LEU A 883 30.968 54.756 30.838 1.00 0.00 H
+ATOM 2796 2HD2 LEU A 883 30.634 55.244 32.517 1.00 0.00 H
+ATOM 2797 3HD2 LEU A 883 31.508 53.728 32.187 1.00 0.00 H
+ATOM 2798 N GLU A 884 26.448 55.084 33.983 1.00 41.72 N
+ATOM 2799 H GLU A 884 26.364 56.003 33.503 1.00 0.00 H
+ATOM 2800 CA GLU A 884 26.220 54.993 35.427 1.00 43.78 C
+ATOM 2801 HA GLU A 884 27.194 54.716 35.830 1.00 0.00 H
+ATOM 2802 C GLU A 884 25.105 53.997 35.687 1.00 44.71 C
+ATOM 2803 O GLU A 884 25.159 53.285 36.668 1.00 46.02 O
+ATOM 2804 CB GLU A 884 25.778 56.275 36.120 1.00 43.86 C
+ATOM 2805 HB1 GLU A 884 24.702 56.203 36.281 1.00 0.00 H
+ATOM 2806 HB2 GLU A 884 26.286 56.315 37.083 1.00 0.00 H
+ATOM 2807 CG GLU A 884 26.040 57.578 35.421 1.00 49.73 C
+ATOM 2808 HG1 GLU A 884 25.863 58.390 36.126 1.00 0.00 H
+ATOM 2809 HG2 GLU A 884 27.082 57.596 35.103 1.00 0.00 H
+ATOM 2810 CD GLU A 884 25.149 57.800 34.187 1.00 46.87 C
+ATOM 2811 OE1 GLU A 884 24.178 58.590 34.308 1.00 42.82 O
+ATOM 2812 OE2 GLU A 884 25.427 57.140 33.136 1.00 50.83 O
+ATOM 2813 N SER A 885 24.109 53.943 34.814 1.00 44.56 N
+ATOM 2814 H SER A 885 24.159 54.504 33.940 1.00 0.00 H
+ATOM 2815 CA SER A 885 22.972 53.124 35.062 1.00 44.86 C
+ATOM 2816 HA SER A 885 22.603 53.321 36.069 1.00 0.00 H
+ATOM 2817 C SER A 885 23.401 51.692 34.900 1.00 45.29 C
+ATOM 2818 O SER A 885 22.941 50.827 35.647 1.00 46.49 O
+ATOM 2819 CB SER A 885 21.820 53.429 34.092 1.00 44.41 C
+ATOM 2820 HB1 SER A 885 21.024 52.700 34.242 1.00 0.00 H
+ATOM 2821 HB2 SER A 885 22.187 53.358 33.068 1.00 0.00 H
+ATOM 2822 OG SER A 885 21.316 54.702 34.307 1.00 41.86 O
+ATOM 2823 HG SER A 885 20.978 54.769 35.235 1.00 0.00 H
+ATOM 2824 N ILE A 886 24.253 51.420 33.925 1.00 45.85 N
+ATOM 2825 H ILE A 886 24.657 52.196 33.363 1.00 0.00 H
+ATOM 2826 CA ILE A 886 24.636 50.023 33.627 1.00 46.32 C
+ATOM 2827 HA ILE A 886 23.725 49.430 33.551 1.00 0.00 H
+ATOM 2828 C ILE A 886 25.548 49.473 34.772 1.00 48.11 C
+ATOM 2829 O ILE A 886 25.360 48.363 35.271 1.00 47.12 O
+ATOM 2830 CB ILE A 886 25.403 49.933 32.292 1.00 46.17 C
+ATOM 2831 HB ILE A 886 26.220 50.654 32.309 1.00 0.00 H
+ATOM 2832 CG1 ILE A 886 24.499 50.318 31.110 1.00 42.90 C
+ATOM 2833 1HG1 ILE A 886 23.794 49.505 30.937 1.00 0.00 H
+ATOM 2834 2HG1 ILE A 886 23.951 51.222 31.376 1.00 0.00 H
+ATOM 2835 CG2 ILE A 886 26.051 48.503 32.117 1.00 45.07 C
+ATOM 2836 1HG2 ILE A 886 26.745 48.317 32.937 1.00 0.00 H
+ATOM 2837 2HG2 ILE A 886 25.266 47.746 32.125 1.00 0.00 H
+ATOM 2838 3HG2 ILE A 886 26.587 48.462 31.169 1.00 0.00 H
+ATOM 2839 CD1 ILE A 886 25.248 50.575 29.836 1.00 36.88 C
+ATOM 2840 1HD1 ILE A 886 25.951 51.394 29.988 1.00 0.00 H
+ATOM 2841 2HD1 ILE A 886 25.793 49.676 29.549 1.00 0.00 H
+ATOM 2842 3HD1 ILE A 886 24.543 50.841 29.049 1.00 0.00 H
+ATOM 2843 N LEU A 887 26.495 50.326 35.190 1.00 49.99 N
+ATOM 2844 H LEU A 887 26.495 51.281 34.779 1.00 0.00 H
+ATOM 2845 CA LEU A 887 27.531 50.017 36.181 1.00 50.86 C
+ATOM 2846 HA LEU A 887 27.833 49.000 35.930 1.00 0.00 H
+ATOM 2847 C LEU A 887 27.030 50.029 37.603 1.00 52.08 C
+ATOM 2848 O LEU A 887 27.477 49.197 38.390 1.00 53.55 O
+ATOM 2849 CB LEU A 887 28.766 50.958 36.081 1.00 49.57 C
+ATOM 2850 HB1 LEU A 887 28.400 51.984 36.131 1.00 0.00 H
+ATOM 2851 HB2 LEU A 887 29.401 50.757 36.944 1.00 0.00 H
+ATOM 2852 CG LEU A 887 29.648 50.843 34.822 1.00 46.85 C
+ATOM 2853 HG LEU A 887 29.035 51.119 33.964 1.00 0.00 H
+ATOM 2854 CD1 LEU A 887 30.816 51.797 34.964 1.00 46.70 C
+ATOM 2855 1HD1 LEU A 887 30.441 52.816 35.064 1.00 0.00 H
+ATOM 2856 2HD1 LEU A 887 31.394 51.532 35.849 1.00 0.00 H
+ATOM 2857 3HD1 LEU A 887 31.450 51.727 34.080 1.00 0.00 H
+ATOM 2858 CD2 LEU A 887 30.102 49.444 34.506 1.00 40.62 C
+ATOM 2859 1HD2 LEU A 887 30.686 49.056 35.340 1.00 0.00 H
+ATOM 2860 2HD2 LEU A 887 29.231 48.809 34.344 1.00 0.00 H
+ATOM 2861 3HD2 LEU A 887 30.716 49.457 33.606 1.00 0.00 H
+ATOM 2862 N HIS A 888 26.147 50.970 37.939 1.00 52.14 N
+ATOM 2863 H HIS A 888 25.740 51.575 37.198 1.00 0.00 H
+ATOM 2864 CA HIS A 888 25.744 51.165 39.313 1.00 52.07 C
+ATOM 2865 HA HIS A 888 26.121 50.299 39.858 1.00 0.00 H
+ATOM 2866 C HIS A 888 24.256 51.239 39.473 1.00 51.74 C
+ATOM 2867 O HIS A 888 23.788 51.504 40.574 1.00 52.32 O
+ATOM 2868 CB HIS A 888 26.320 52.450 39.861 1.00 52.44 C
+ATOM 2869 HB1 HIS A 888 25.852 53.286 39.341 1.00 0.00 H
+ATOM 2870 HB2 HIS A 888 26.084 52.507 40.924 1.00 0.00 H
+ATOM 2871 CG HIS A 888 27.809 52.566 39.699 1.00 58.38 C
+ATOM 2872 ND1 HIS A 888 28.424 53.695 39.177 1.00 61.92 N
+ATOM 2873 CD2 HIS A 888 28.807 51.690 39.975 1.00 60.67 C
+ATOM 2874 HD2 HIS A 888 28.695 50.687 40.387 1.00 0.00 H
+ATOM 2875 CE1 HIS A 888 29.731 53.515 39.154 1.00 61.59 C
+ATOM 2876 HE1 HIS A 888 30.470 54.234 38.800 1.00 0.00 H
+ATOM 2877 NE2 HIS A 888 29.988 52.310 39.635 1.00 61.79 N
+ATOM 2878 N ARG A 889 23.505 51.054 38.385 1.00 50.89 N
+ATOM 2879 H ARG A 889 23.969 50.872 37.472 1.00 0.00 H
+ATOM 2880 CA ARG A 889 22.052 51.101 38.448 1.00 49.91 C
+ATOM 2881 HA ARG A 889 21.720 51.032 37.412 1.00 0.00 H
+ATOM 2882 C ARG A 889 21.491 52.384 39.051 1.00 48.78 C
+ATOM 2883 O ARG A 889 20.474 52.332 39.776 1.00 48.56 O
+ATOM 2884 CB ARG A 889 21.550 49.977 39.312 1.00 50.34 C
+ATOM 2885 HB1 ARG A 889 21.747 50.239 40.351 1.00 0.00 H
+ATOM 2886 HB2 ARG A 889 20.474 49.891 39.158 1.00 0.00 H
+ATOM 2887 CG ARG A 889 22.160 48.639 39.052 1.00 52.71 C
+ATOM 2888 HG1 ARG A 889 21.839 48.256 38.083 1.00 0.00 H
+ATOM 2889 HG2 ARG A 889 23.248 48.706 39.072 1.00 0.00 H
+ATOM 2890 CD ARG A 889 21.664 47.739 40.168 1.00 58.42 C
+ATOM 2891 HD1 ARG A 889 20.671 48.081 40.460 1.00 0.00 H
+ATOM 2892 HD2 ARG A 889 22.346 47.843 41.012 1.00 0.00 H
+ATOM 2893 NE ARG A 889 21.572 46.318 39.835 1.00 61.27 N
+ATOM 2894 HE ARG A 889 21.459 46.044 38.838 1.00 0.00 H
+ATOM 2895 CZ ARG A 889 21.628 45.358 40.763 1.00 61.24 C
+ATOM 2896 NH1 ARG A 889 21.763 45.699 42.053 1.00 61.73 N
+ATOM 2897 1HH1 ARG A 889 21.823 46.702 42.322 1.00 0.00 H
+ATOM 2898 2HH1 ARG A 889 21.808 44.961 42.784 1.00 0.00 H
+ATOM 2899 NH2 ARG A 889 21.535 44.084 40.414 1.00 58.23 N
+ATOM 2900 1HH2 ARG A 889 21.418 43.826 39.413 1.00 0.00 H
+ATOM 2901 2HH2 ARG A 889 21.579 43.341 41.141 1.00 0.00 H
+ATOM 2902 N ILE A 890 22.143 53.508 38.758 1.00 46.00 N
+ATOM 2903 H ILE A 890 23.039 53.437 38.235 1.00 0.00 H
+ATOM 2904 CA ILE A 890 21.664 54.829 39.133 1.00 44.97 C
+ATOM 2905 HA ILE A 890 20.924 54.748 39.929 1.00 0.00 H
+ATOM 2906 C ILE A 890 20.960 55.491 37.921 1.00 42.66 C
+ATOM 2907 O ILE A 890 21.427 55.406 36.788 1.00 42.53 O
+ATOM 2908 CB ILE A 890 22.836 55.688 39.707 1.00 46.01 C
+ATOM 2909 HB ILE A 890 23.673 55.514 39.031 1.00 0.00 H
+ATOM 2910 CG1 ILE A 890 23.063 55.294 41.166 1.00 50.86 C
+ATOM 2911 1HG1 ILE A 890 23.704 56.043 41.630 1.00 0.00 H
+ATOM 2912 2HG1 ILE A 890 22.099 55.278 41.674 1.00 0.00 H
+ATOM 2913 CG2 ILE A 890 22.519 57.179 39.807 1.00 47.21 C
+ATOM 2914 1HG2 ILE A 890 22.289 57.568 38.815 1.00 0.00 H
+ATOM 2915 2HG2 ILE A 890 21.661 57.323 40.463 1.00 0.00 H
+ATOM 2916 3HG2 ILE A 890 23.382 57.706 40.214 1.00 0.00 H
+ATOM 2917 CD1 ILE A 890 23.727 53.909 41.334 1.00 56.31 C
+ATOM 2918 1HD1 ILE A 890 23.092 53.146 40.884 1.00 0.00 H
+ATOM 2919 2HD1 ILE A 890 24.699 53.911 40.841 1.00 0.00 H
+ATOM 2920 3HD1 ILE A 890 23.857 53.696 42.395 1.00 0.00 H
+ATOM 2921 N TYR A 891 19.820 56.114 38.181 1.00 39.89 N
+ATOM 2922 H TYR A 891 19.494 56.156 39.168 1.00 0.00 H
+ATOM 2923 CA TYR A 891 19.003 56.742 37.157 1.00 37.12 C
+ATOM 2924 HA TYR A 891 19.582 56.770 36.234 1.00 0.00 H
+ATOM 2925 C TYR A 891 18.658 58.191 37.497 1.00 36.40 C
+ATOM 2926 O TYR A 891 18.197 58.473 38.610 1.00 36.49 O
+ATOM 2927 CB TYR A 891 17.763 55.935 36.945 1.00 35.58 C
+ATOM 2928 HB1 TYR A 891 17.254 55.824 37.902 1.00 0.00 H
+ATOM 2929 HB2 TYR A 891 17.116 56.470 36.251 1.00 0.00 H
+ATOM 2930 CG TYR A 891 18.038 54.548 36.379 1.00 35.27 C
+ATOM 2931 CD1 TYR A 891 17.938 54.308 34.998 1.00 31.48 C
+ATOM 2932 HD1 TYR A 891 17.683 55.129 34.328 1.00 0.00 H
+ATOM 2933 CD2 TYR A 891 18.410 53.451 37.229 1.00 35.03 C
+ATOM 2934 HD2 TYR A 891 18.516 53.622 38.300 1.00 0.00 H
+ATOM 2935 CE1 TYR A 891 18.160 53.034 34.469 1.00 30.39 C
+ATOM 2936 HE1 TYR A 891 18.072 52.853 33.398 1.00 0.00 H
+ATOM 2937 CE2 TYR A 891 18.641 52.164 36.715 1.00 28.89 C
+ATOM 2938 HE2 TYR A 891 18.921 51.341 37.372 1.00 0.00 H
+ATOM 2939 CZ TYR A 891 18.505 51.972 35.365 1.00 34.22 C
+ATOM 2940 OH TYR A 891 18.686 50.733 34.836 1.00 37.74 O
+ATOM 2941 HH TYR A 891 18.552 50.771 33.856 1.00 0.00 H
+ATOM 2942 N THR A 892 18.942 59.135 36.578 1.00 34.13 N
+ATOM 2943 H THR A 892 19.434 58.880 35.698 1.00 0.00 H
+ATOM 2944 CA THR A 892 18.552 60.516 36.830 1.00 31.80 C
+ATOM 2945 HA THR A 892 17.882 60.575 37.688 1.00 0.00 H
+ATOM 2946 C THR A 892 17.893 60.989 35.558 1.00 29.78 C
+ATOM 2947 O THR A 892 17.822 60.266 34.606 1.00 31.04 O
+ATOM 2948 CB THR A 892 19.743 61.404 37.190 1.00 32.36 C
+ATOM 2949 HB THR A 892 19.351 62.343 37.580 1.00 0.00 H
+ATOM 2950 OG1 THR A 892 20.534 61.618 36.018 1.00 37.04 O
+ATOM 2951 HG1 THR A 892 21.308 62.193 36.244 1.00 0.00 H
+ATOM 2952 CG2 THR A 892 20.617 60.783 38.258 1.00 29.54 C
+ATOM 2953 1HG2 THR A 892 21.010 59.833 37.897 1.00 0.00 H
+ATOM 2954 2HG2 THR A 892 21.443 61.456 38.486 1.00 0.00 H
+ATOM 2955 3HG2 THR A 892 20.025 60.615 39.158 1.00 0.00 H
+ATOM 2956 N HIS A 893 17.353 62.166 35.563 1.00 28.35 N
+ATOM 2957 H HIS A 893 17.197 62.653 36.469 1.00 0.00 H
+ATOM 2958 CA HIS A 893 16.967 62.809 34.342 1.00 29.78 C
+ATOM 2959 HA HIS A 893 16.148 62.240 33.902 1.00 0.00 H
+ATOM 2960 C HIS A 893 18.162 62.845 33.359 1.00 30.15 C
+ATOM 2961 O HIS A 893 17.978 62.690 32.142 1.00 29.34 O
+ATOM 2962 CB HIS A 893 16.497 64.232 34.611 1.00 28.97 C
+ATOM 2963 HB1 HIS A 893 17.356 64.827 34.920 1.00 0.00 H
+ATOM 2964 HB2 HIS A 893 16.086 64.641 33.688 1.00 0.00 H
+ATOM 2965 CG HIS A 893 15.455 64.321 35.672 1.00 33.03 C
+ATOM 2966 ND1 HIS A 893 14.279 63.575 35.625 1.00 34.28 N
+ATOM 2967 CD2 HIS A 893 15.415 65.038 36.829 1.00 30.22 C
+ATOM 2968 HD2 HIS A 893 16.174 65.733 37.189 1.00 0.00 H
+ATOM 2969 CE1 HIS A 893 13.558 63.854 36.706 1.00 32.96 C
+ATOM 2970 HE1 HIS A 893 12.575 63.443 36.937 1.00 0.00 H
+ATOM 2971 NE2 HIS A 893 14.231 64.716 37.458 1.00 35.08 N
+ATOM 2972 N GLN A 894 19.383 62.986 33.916 1.00 30.17 N
+ATOM 2973 H GLN A 894 19.462 63.099 34.947 1.00 0.00 H
+ATOM 2974 CA GLN A 894 20.585 62.983 33.110 1.00 28.90 C
+ATOM 2975 HA GLN A 894 20.420 63.671 32.280 1.00 0.00 H
+ATOM 2976 C GLN A 894 20.815 61.658 32.473 1.00 28.55 C
+ATOM 2977 O GLN A 894 21.413 61.637 31.430 1.00 29.16 O
+ATOM 2978 CB GLN A 894 21.801 63.599 33.813 1.00 29.61 C
+ATOM 2979 HB1 GLN A 894 21.983 63.057 34.741 1.00 0.00 H
+ATOM 2980 HB2 GLN A 894 22.670 63.503 33.162 1.00 0.00 H
+ATOM 2981 CG GLN A 894 21.582 65.115 34.146 1.00 27.04 C
+ATOM 2982 HG1 GLN A 894 20.842 65.198 34.942 1.00 0.00 H
+ATOM 2983 HG2 GLN A 894 22.526 65.542 34.484 1.00 0.00 H
+ATOM 2984 CD GLN A 894 21.066 65.942 32.867 1.00 31.47 C
+ATOM 2985 OE1 GLN A 894 19.893 66.320 32.781 1.00 34.74 O
+ATOM 2986 NE2 GLN A 894 21.971 66.255 31.941 1.00 29.03 N
+ATOM 2987 1HE2 GLN A 894 21.697 66.831 31.120 1.00 0.00 H
+ATOM 2988 2HE2 GLN A 894 22.952 65.923 32.039 1.00 0.00 H
+ATOM 2989 N SER A 895 20.272 60.554 32.996 1.00 26.48 N
+ATOM 2990 H SER A 895 19.714 60.582 33.873 1.00 0.00 H
+ATOM 2991 CA SER A 895 20.498 59.332 32.287 1.00 25.32 C
+ATOM 2992 HA SER A 895 21.446 59.398 31.753 1.00 0.00 H
+ATOM 2993 C SER A 895 19.398 59.139 31.247 1.00 25.60 C
+ATOM 2994 O SER A 895 19.566 58.405 30.240 1.00 26.36 O
+ATOM 2995 CB SER A 895 20.681 58.145 33.219 1.00 26.17 C
+ATOM 2996 HB1 SER A 895 21.559 58.330 33.838 1.00 0.00 H
+ATOM 2997 HB2 SER A 895 20.848 57.256 32.610 1.00 0.00 H
+ATOM 2998 OG SER A 895 19.583 57.896 34.073 1.00 31.12 O
+ATOM 2999 HG SER A 895 18.777 57.713 33.528 1.00 0.00 H
+ATOM 3000 N ASP A 896 18.268 59.808 31.455 1.00 24.96 N
+ATOM 3001 H ASP A 896 18.098 60.280 32.366 1.00 0.00 H
+ATOM 3002 CA ASP A 896 17.281 59.873 30.408 1.00 26.80 C
+ATOM 3003 HA ASP A 896 17.037 58.853 30.110 1.00 0.00 H
+ATOM 3004 C ASP A 896 17.864 60.640 29.200 1.00 26.73 C
+ATOM 3005 O ASP A 896 17.648 60.249 28.074 1.00 27.17 O
+ATOM 3006 CB ASP A 896 15.970 60.516 30.882 1.00 26.71 C
+ATOM 3007 HB1 ASP A 896 16.209 61.359 31.530 1.00 0.00 H
+ATOM 3008 HB2 ASP A 896 15.422 60.873 30.010 1.00 0.00 H
+ATOM 3009 CG ASP A 896 15.043 59.503 31.687 1.00 32.06 C
+ATOM 3010 OD1 ASP A 896 14.166 60.041 32.448 1.00 29.77 O
+ATOM 3011 OD2 ASP A 896 15.209 58.229 31.545 1.00 27.24 O
+ATOM 3012 N VAL A 897 18.652 61.687 29.453 1.00 26.67 N
+ATOM 3013 H VAL A 897 18.805 61.998 30.434 1.00 0.00 H
+ATOM 3014 CA VAL A 897 19.282 62.377 28.384 1.00 26.72 C
+ATOM 3015 HA VAL A 897 18.501 62.769 27.733 1.00 0.00 H
+ATOM 3016 C VAL A 897 20.115 61.440 27.484 1.00 26.87 C
+ATOM 3017 O VAL A 897 20.003 61.475 26.246 1.00 26.63 O
+ATOM 3018 CB VAL A 897 20.039 63.531 28.883 1.00 26.55 C
+ATOM 3019 HB VAL A 897 20.712 63.243 29.691 1.00 0.00 H
+ATOM 3020 CG1 VAL A 897 20.808 64.086 27.736 1.00 26.52 C
+ATOM 3021 1HG1 VAL A 897 21.484 63.323 27.350 1.00 0.00 H
+ATOM 3022 2HG1 VAL A 897 20.117 64.392 26.951 1.00 0.00 H
+ATOM 3023 3HG1 VAL A 897 21.385 64.948 28.070 1.00 0.00 H
+ATOM 3024 CG2 VAL A 897 19.084 64.555 29.393 1.00 24.35 C
+ATOM 3025 1HG2 VAL A 897 18.424 64.870 28.584 1.00 0.00 H
+ATOM 3026 2HG2 VAL A 897 18.491 64.127 30.201 1.00 0.00 H
+ATOM 3027 3HG2 VAL A 897 19.640 65.415 29.765 1.00 0.00 H
+ATOM 3028 N TRP A 898 20.818 60.484 28.101 1.00 26.78 N
+ATOM 3029 H TRP A 898 20.810 60.415 29.139 1.00 0.00 H
+ATOM 3030 CA TRP A 898 21.584 59.554 27.321 1.00 24.85 C
+ATOM 3031 HA TRP A 898 22.297 60.095 26.700 1.00 0.00 H
+ATOM 3032 C TRP A 898 20.662 58.778 26.449 1.00 25.44 C
+ATOM 3033 O TRP A 898 20.964 58.533 25.290 1.00 26.47 O
+ATOM 3034 CB TRP A 898 22.368 58.614 28.243 1.00 25.29 C
+ATOM 3035 HB1 TRP A 898 23.026 59.220 28.866 1.00 0.00 H
+ATOM 3036 HB2 TRP A 898 21.655 58.086 28.876 1.00 0.00 H
+ATOM 3037 CG TRP A 898 23.231 57.564 27.511 1.00 22.26 C
+ATOM 3038 CD1 TRP A 898 22.794 56.625 26.642 1.00 24.21 C
+ATOM 3039 HD1 TRP A 898 21.753 56.474 26.358 1.00 0.00 H
+ATOM 3040 CD2 TRP A 898 24.666 57.410 27.597 1.00 19.19 C
+ATOM 3041 NE1 TRP A 898 23.875 55.874 26.160 1.00 28.96 N
+ATOM 3042 HE1 TRP A 898 23.825 55.109 25.457 1.00 0.00 H
+ATOM 3043 CE2 TRP A 898 25.021 56.333 26.788 1.00 23.46 C
+ATOM 3044 CE3 TRP A 898 25.662 58.068 28.321 1.00 22.36 C
+ATOM 3045 HE3 TRP A 898 25.418 58.934 28.937 1.00 0.00 H
+ATOM 3046 CZ2 TRP A 898 26.323 55.911 26.654 1.00 22.37 C
+ATOM 3047 HZ2 TRP A 898 26.591 55.090 25.989 1.00 0.00 H
+ATOM 3048 CZ3 TRP A 898 26.920 57.621 28.248 1.00 23.21 C
+ATOM 3049 HZ3 TRP A 898 27.692 58.083 28.864 1.00 0.00 H
+ATOM 3050 CH2 TRP A 898 27.259 56.565 27.389 1.00 22.96 C
+ATOM 3051 HH2 TRP A 898 28.303 56.261 27.309 1.00 0.00 H
+ATOM 3052 N SER A 899 19.542 58.304 26.990 1.00 26.63 N
+ATOM 3053 H SER A 899 19.318 58.486 27.989 1.00 0.00 H
+ATOM 3054 CA SER A 899 18.611 57.504 26.133 1.00 26.32 C
+ATOM 3055 HA SER A 899 19.236 56.747 25.660 1.00 0.00 H
+ATOM 3056 C SER A 899 17.960 58.322 25.050 1.00 24.41 C
+ATOM 3057 O SER A 899 17.604 57.791 24.018 1.00 22.58 O
+ATOM 3058 CB SER A 899 17.507 56.816 26.974 1.00 27.01 C
+ATOM 3059 HB1 SER A 899 16.947 56.112 26.358 1.00 0.00 H
+ATOM 3060 HB2 SER A 899 16.825 57.561 27.384 1.00 0.00 H
+ATOM 3061 OG SER A 899 18.164 56.139 28.009 1.00 31.29 O
+ATOM 3062 HG SER A 899 18.785 55.471 27.623 1.00 0.00 H
+ATOM 3063 N TYR A 900 17.763 59.601 25.340 1.00 23.87 N
+ATOM 3064 H TYR A 900 17.931 59.935 26.311 1.00 0.00 H
+ATOM 3065 CA TYR A 900 17.326 60.529 24.348 1.00 25.50 C
+ATOM 3066 HA TYR A 900 16.339 60.244 23.983 1.00 0.00 H
+ATOM 3067 C TYR A 900 18.317 60.510 23.145 1.00 26.20 C
+ATOM 3068 O TYR A 900 17.891 60.373 21.988 1.00 25.87 O
+ATOM 3069 CB TYR A 900 17.220 61.909 24.951 1.00 25.44 C
+ATOM 3070 HB1 TYR A 900 16.501 61.877 25.770 1.00 0.00 H
+ATOM 3071 HB2 TYR A 900 18.198 62.195 25.339 1.00 0.00 H
+ATOM 3072 CG TYR A 900 16.769 62.958 23.951 1.00 28.54 C
+ATOM 3073 CD1 TYR A 900 17.724 63.738 23.233 1.00 29.06 C
+ATOM 3074 HD1 TYR A 900 18.789 63.585 23.408 1.00 0.00 H
+ATOM 3075 CD2 TYR A 900 15.406 63.124 23.638 1.00 26.06 C
+ATOM 3076 HD2 TYR A 900 14.662 62.491 24.121 1.00 0.00 H
+ATOM 3077 CE1 TYR A 900 17.303 64.697 22.307 1.00 28.36 C
+ATOM 3078 HE1 TYR A 900 18.034 65.313 21.783 1.00 0.00 H
+ATOM 3079 CE2 TYR A 900 14.996 64.091 22.716 1.00 26.55 C
+ATOM 3080 HE2 TYR A 900 13.934 64.236 22.518 1.00 0.00 H
+ATOM 3081 CZ TYR A 900 15.928 64.861 22.056 1.00 26.68 C
+ATOM 3082 OH TYR A 900 15.515 65.805 21.141 1.00 24.48 O
+ATOM 3083 HH TYR A 900 14.932 66.466 21.591 1.00 0.00 H
+ATOM 3084 N GLY A 901 19.621 60.568 23.439 1.00 26.60 N
+ATOM 3085 H GLY A 901 19.908 60.624 24.437 1.00 0.00 H
+ATOM 3086 CA GLY A 901 20.669 60.555 22.394 1.00 26.69 C
+ATOM 3087 HA1 GLY A 901 20.561 61.438 21.764 1.00 0.00 H
+ATOM 3088 HA2 GLY A 901 21.651 60.566 22.868 1.00 0.00 H
+ATOM 3089 C GLY A 901 20.538 59.307 21.537 1.00 28.08 C
+ATOM 3090 O GLY A 901 20.532 59.384 20.289 1.00 28.86 O
+ATOM 3091 N VAL A 902 20.354 58.143 22.172 1.00 26.96 N
+ATOM 3092 H VAL A 902 20.302 58.116 23.210 1.00 0.00 H
+ATOM 3093 CA VAL A 902 20.227 56.907 21.396 1.00 25.39 C
+ATOM 3094 HA VAL A 902 21.093 56.847 20.737 1.00 0.00 H
+ATOM 3095 C VAL A 902 18.975 56.932 20.568 1.00 25.51 C
+ATOM 3096 O VAL A 902 18.993 56.450 19.424 1.00 27.39 O
+ATOM 3097 CB VAL A 902 20.232 55.669 22.297 1.00 25.63 C
+ATOM 3098 HB VAL A 902 19.350 55.723 22.935 1.00 0.00 H
+ATOM 3099 CG1 VAL A 902 20.166 54.422 21.487 1.00 24.75 C
+ATOM 3100 1HG1 VAL A 902 19.250 54.422 20.896 1.00 0.00 H
+ATOM 3101 2HG1 VAL A 902 21.029 54.376 20.822 1.00 0.00 H
+ATOM 3102 3HG1 VAL A 902 20.171 53.558 22.151 1.00 0.00 H
+ATOM 3103 CG2 VAL A 902 21.477 55.642 23.175 1.00 25.55 C
+ATOM 3104 1HG2 VAL A 902 22.365 55.621 22.543 1.00 0.00 H
+ATOM 3105 2HG2 VAL A 902 21.497 56.533 23.802 1.00 0.00 H
+ATOM 3106 3HG2 VAL A 902 21.456 54.753 23.805 1.00 0.00 H
+ATOM 3107 N THR A 903 17.894 57.503 21.107 1.00 24.64 N
+ATOM 3108 H THR A 903 17.981 57.950 22.042 1.00 0.00 H
+ATOM 3109 CA THR A 903 16.602 57.526 20.443 1.00 23.98 C
+ATOM 3110 HA THR A 903 16.305 56.517 20.159 1.00 0.00 H
+ATOM 3111 C THR A 903 16.733 58.412 19.215 1.00 25.05 C
+ATOM 3112 O THR A 903 16.221 58.073 18.135 1.00 24.92 O
+ATOM 3113 CB THR A 903 15.509 58.093 21.399 1.00 24.77 C
+ATOM 3114 HB THR A 903 15.798 59.114 21.648 1.00 0.00 H
+ATOM 3115 OG1 THR A 903 15.444 57.189 22.498 1.00 28.31 O
+ATOM 3116 HG1 THR A 903 16.327 57.151 22.945 1.00 0.00 H
+ATOM 3117 CG2 THR A 903 14.080 58.194 20.799 1.00 17.60 C
+ATOM 3118 1HG2 THR A 903 13.757 57.208 20.465 1.00 0.00 H
+ATOM 3119 2HG2 THR A 903 13.393 58.565 21.560 1.00 0.00 H
+ATOM 3120 3HG2 THR A 903 14.091 58.880 19.952 1.00 0.00 H
+ATOM 3121 N VAL A 904 17.393 59.545 19.364 1.00 25.08 N
+ATOM 3122 H VAL A 904 17.771 59.820 20.293 1.00 0.00 H
+ATOM 3123 CA VAL A 904 17.582 60.401 18.205 1.00 26.65 C
+ATOM 3124 HA VAL A 904 16.585 60.639 17.834 1.00 0.00 H
+ATOM 3125 C VAL A 904 18.406 59.661 17.139 1.00 28.12 C
+ATOM 3126 O VAL A 904 18.098 59.771 15.915 1.00 28.67 O
+ATOM 3127 CB VAL A 904 18.276 61.733 18.536 1.00 27.43 C
+ATOM 3128 HB VAL A 904 19.177 61.502 19.105 1.00 0.00 H
+ATOM 3129 CG1 VAL A 904 18.658 62.458 17.250 1.00 28.11 C
+ATOM 3130 1HG1 VAL A 904 19.338 61.834 16.671 1.00 0.00 H
+ATOM 3131 2HG1 VAL A 904 17.759 62.657 16.666 1.00 0.00 H
+ATOM 3132 3HG1 VAL A 904 19.149 63.399 17.497 1.00 0.00 H
+ATOM 3133 CG2 VAL A 904 17.419 62.614 19.389 1.00 24.83 C
+ATOM 3134 1HG2 VAL A 904 16.490 62.835 18.863 1.00 0.00 H
+ATOM 3135 2HG2 VAL A 904 17.195 62.104 20.326 1.00 0.00 H
+ATOM 3136 3HG2 VAL A 904 17.950 63.543 19.597 1.00 0.00 H
+ATOM 3137 N TRP A 905 19.420 58.900 17.587 1.00 28.02 N
+ATOM 3138 H TRP A 905 19.624 58.868 18.606 1.00 0.00 H
+ATOM 3139 CA TRP A 905 20.242 58.116 16.663 1.00 28.08 C
+ATOM 3140 HA TRP A 905 20.689 58.774 15.918 1.00 0.00 H
+ATOM 3141 C TRP A 905 19.365 57.098 15.943 1.00 29.58 C
+ATOM 3142 O TRP A 905 19.515 56.934 14.692 1.00 29.81 O
+ATOM 3143 CB TRP A 905 21.366 57.438 17.417 1.00 28.25 C
+ATOM 3144 HB1 TRP A 905 21.915 58.205 17.963 1.00 0.00 H
+ATOM 3145 HB2 TRP A 905 20.921 56.738 18.124 1.00 0.00 H
+ATOM 3146 CG TRP A 905 22.324 56.699 16.593 1.00 31.35 C
+ATOM 3147 CD1 TRP A 905 23.555 57.159 16.125 1.00 34.51 C
+ATOM 3148 HD1 TRP A 905 23.964 58.152 16.312 1.00 0.00 H
+ATOM 3149 CD2 TRP A 905 22.216 55.351 16.147 1.00 30.68 C
+ATOM 3150 NE1 TRP A 905 24.171 56.185 15.400 1.00 31.48 N
+ATOM 3151 HE1 TRP A 905 25.085 56.284 14.913 1.00 0.00 H
+ATOM 3152 CE2 TRP A 905 23.400 55.059 15.413 1.00 30.97 C
+ATOM 3153 CE3 TRP A 905 21.242 54.347 16.319 1.00 32.72 C
+ATOM 3154 HE3 TRP A 905 20.343 54.542 16.904 1.00 0.00 H
+ATOM 3155 CZ2 TRP A 905 23.626 53.813 14.784 1.00 34.84 C
+ATOM 3156 HZ2 TRP A 905 24.532 53.628 14.207 1.00 0.00 H
+ATOM 3157 CZ3 TRP A 905 21.446 53.099 15.728 1.00 36.40 C
+ATOM 3158 HZ3 TRP A 905 20.704 52.312 15.861 1.00 0.00 H
+ATOM 3159 CH2 TRP A 905 22.653 52.835 14.927 1.00 35.03 C
+ATOM 3160 HH2 TRP A 905 22.782 51.866 14.444 1.00 0.00 H
+ATOM 3161 N GLU A 906 18.461 56.392 16.680 1.00 28.79 N
+ATOM 3162 H GLU A 906 18.394 56.510 17.711 1.00 0.00 H
+ATOM 3163 CA GLU A 906 17.592 55.465 15.964 1.00 29.29 C
+ATOM 3164 HA GLU A 906 18.277 54.747 15.513 1.00 0.00 H
+ATOM 3165 C GLU A 906 16.745 56.206 14.925 1.00 28.73 C
+ATOM 3166 O GLU A 906 16.476 55.682 13.833 1.00 28.05 O
+ATOM 3167 CB GLU A 906 16.608 54.733 16.854 1.00 30.67 C
+ATOM 3168 HB1 GLU A 906 15.909 55.473 17.244 1.00 0.00 H
+ATOM 3169 HB2 GLU A 906 16.070 54.021 16.228 1.00 0.00 H
+ATOM 3170 CG GLU A 906 17.155 53.977 18.021 1.00 34.30 C
+ATOM 3171 HG1 GLU A 906 17.667 53.081 17.671 1.00 0.00 H
+ATOM 3172 HG2 GLU A 906 17.857 54.605 18.570 1.00 0.00 H
+ATOM 3173 CD GLU A 906 15.987 53.583 18.937 1.00 42.62 C
+ATOM 3174 OE1 GLU A 906 15.211 52.650 18.507 1.00 44.46 O
+ATOM 3175 OE2 GLU A 906 15.843 54.201 20.059 1.00 40.25 O
+ATOM 3176 N LEU A 907 16.310 57.425 15.236 1.00 29.02 N
+ATOM 3177 H LEU A 907 16.542 57.850 16.156 1.00 0.00 H
+ATOM 3178 CA LEU A 907 15.490 58.166 14.250 1.00 29.65 C
+ATOM 3179 HA LEU A 907 14.676 57.498 13.967 1.00 0.00 H
+ATOM 3180 C LEU A 907 16.351 58.541 13.028 1.00 29.93 C
+ATOM 3181 O LEU A 907 15.896 58.387 11.902 1.00 28.08 O
+ATOM 3182 CB LEU A 907 14.866 59.434 14.815 1.00 28.42 C
+ATOM 3183 HB1 LEU A 907 15.690 60.078 15.122 1.00 0.00 H
+ATOM 3184 HB2 LEU A 907 14.323 59.907 13.996 1.00 0.00 H
+ATOM 3185 CG LEU A 907 13.907 59.364 15.990 1.00 30.83 C
+ATOM 3186 HG LEU A 907 14.429 59.067 16.900 1.00 0.00 H
+ATOM 3187 CD1 LEU A 907 13.316 60.800 16.309 1.00 21.59 C
+ATOM 3188 1HD1 LEU A 907 14.131 61.480 16.556 1.00 0.00 H
+ATOM 3189 2HD1 LEU A 907 12.781 61.174 15.436 1.00 0.00 H
+ATOM 3190 3HD1 LEU A 907 12.631 60.730 17.154 1.00 0.00 H
+ATOM 3191 CD2 LEU A 907 12.834 58.249 15.726 1.00 24.62 C
+ATOM 3192 1HD2 LEU A 907 12.280 58.488 14.818 1.00 0.00 H
+ATOM 3193 2HD2 LEU A 907 13.333 57.287 15.606 1.00 0.00 H
+ATOM 3194 3HD2 LEU A 907 12.147 58.201 16.571 1.00 0.00 H
+ATOM 3195 N MET A 908 17.579 58.997 13.286 1.00 30.63 N
+ATOM 3196 H MET A 908 17.921 58.980 14.268 1.00 0.00 H
+ATOM 3197 CA MET A 908 18.474 59.526 12.234 1.00 32.79 C
+ATOM 3198 HA MET A 908 17.880 60.218 11.637 1.00 0.00 H
+ATOM 3199 C MET A 908 18.977 58.423 11.301 1.00 33.97 C
+ATOM 3200 O MET A 908 19.307 58.687 10.124 1.00 33.97 O
+ATOM 3201 CB MET A 908 19.653 60.301 12.837 1.00 32.79 C
+ATOM 3202 HB1 MET A 908 20.233 59.624 13.464 1.00 0.00 H
+ATOM 3203 HB2 MET A 908 20.281 60.670 12.026 1.00 0.00 H
+ATOM 3204 CG MET A 908 19.196 61.492 13.688 1.00 33.26 C
+ATOM 3205 HG1 MET A 908 20.055 62.079 14.013 1.00 0.00 H
+ATOM 3206 HG2 MET A 908 18.643 61.146 14.561 1.00 0.00 H
+ATOM 3207 SD MET A 908 18.124 62.481 12.611 1.00 37.11 S
+ATOM 3208 CE MET A 908 17.423 63.736 13.685 1.00 33.42 C
+ATOM 3209 HE1 MET A 908 16.859 63.255 14.484 1.00 0.00 H
+ATOM 3210 HE2 MET A 908 18.226 64.334 14.115 1.00 0.00 H
+ATOM 3211 HE3 MET A 908 16.759 64.378 13.106 1.00 0.00 H
+ATOM 3212 N THR A 909 18.960 57.179 11.789 1.00 33.86 N
+ATOM 3213 H THR A 909 18.678 56.998 12.774 1.00 0.00 H
+ATOM 3214 CA THR A 909 19.346 56.078 10.908 1.00 33.09 C
+ATOM 3215 HA THR A 909 19.909 56.505 10.078 1.00 0.00 H
+ATOM 3216 C THR A 909 18.125 55.382 10.405 1.00 33.73 C
+ATOM 3217 O THR A 909 18.207 54.276 9.915 1.00 34.50 O
+ATOM 3218 CB THR A 909 20.254 55.052 11.629 1.00 32.84 C
+ATOM 3219 HB THR A 909 20.542 54.291 10.904 1.00 0.00 H
+ATOM 3220 OG1 THR A 909 19.539 54.439 12.739 1.00 34.02 O
+ATOM 3221 HG1 THR A 909 20.130 53.786 13.191 1.00 0.00 H
+ATOM 3222 CG2 THR A 909 21.475 55.728 12.173 1.00 28.44 C
+ATOM 3223 1HG2 THR A 909 21.177 56.490 12.893 1.00 0.00 H
+ATOM 3224 2HG2 THR A 909 22.109 54.990 12.665 1.00 0.00 H
+ATOM 3225 3HG2 THR A 909 22.025 56.194 11.356 1.00 0.00 H
+ATOM 3226 N PHE A 910 16.963 55.994 10.559 1.00 34.99 N
+ATOM 3227 H PHE A 910 16.929 56.925 11.021 1.00 0.00 H
+ATOM 3228 CA PHE A 910 15.713 55.369 10.081 1.00 35.42 C
+ATOM 3229 HA PHE A 910 14.906 56.015 10.427 1.00 0.00 H
+ATOM 3230 C PHE A 910 15.480 53.981 10.670 1.00 37.34 C
+ATOM 3231 O PHE A 910 15.053 53.054 9.973 1.00 38.76 O
+ATOM 3232 CB PHE A 910 15.681 55.290 8.559 1.00 34.15 C
+ATOM 3233 HB1 PHE A 910 16.531 54.696 8.224 1.00 0.00 H
+ATOM 3234 HB2 PHE A 910 14.756 54.800 8.256 1.00 0.00 H
+ATOM 3235 CG PHE A 910 15.747 56.613 7.908 1.00 33.75 C
+ATOM 3236 CD1 PHE A 910 14.637 57.475 7.942 1.00 32.19 C
+ATOM 3237 HD1 PHE A 910 13.716 57.142 8.421 1.00 0.00 H
+ATOM 3238 CD2 PHE A 910 16.934 57.047 7.309 1.00 31.63 C
+ATOM 3239 HD2 PHE A 910 17.817 56.407 7.315 1.00 0.00 H
+ATOM 3240 CE1 PHE A 910 14.690 58.711 7.391 1.00 31.96 C
+ATOM 3241 HE1 PHE A 910 13.826 59.373 7.443 1.00 0.00 H
+ATOM 3242 CE2 PHE A 910 16.982 58.302 6.704 1.00 31.30 C
+ATOM 3243 HE2 PHE A 910 17.889 58.629 6.196 1.00 0.00 H
+ATOM 3244 CZ PHE A 910 15.871 59.134 6.750 1.00 32.92 C
+ATOM 3245 HZ PHE A 910 15.913 60.120 6.287 1.00 0.00 H
+ATOM 3246 N GLY A 911 15.740 53.841 11.960 1.00 38.24 N
+ATOM 3247 H GLY A 911 16.260 54.585 12.468 1.00 0.00 H
+ATOM 3248 CA GLY A 911 15.310 52.677 12.654 1.00 39.90 C
+ATOM 3249 HA1 GLY A 911 15.016 52.979 13.659 1.00 0.00 H
+ATOM 3250 HA2 GLY A 911 14.443 52.278 12.128 1.00 0.00 H
+ATOM 3251 C GLY A 911 16.325 51.558 12.787 1.00 40.70 C
+ATOM 3252 O GLY A 911 15.978 50.379 12.986 1.00 41.13 O
+ATOM 3253 N SER A 912 17.580 51.896 12.717 1.00 40.04 N
+ATOM 3254 H SER A 912 17.889 52.887 12.650 1.00 0.00 H
+ATOM 3255 CA SER A 912 18.491 50.816 12.739 1.00 40.62 C
+ATOM 3256 HA SER A 912 18.072 49.881 12.366 1.00 0.00 H
+ATOM 3257 C SER A 912 18.857 50.490 14.223 1.00 41.76 C
+ATOM 3258 O SER A 912 18.629 51.304 15.155 1.00 42.15 O
+ATOM 3259 CB SER A 912 19.656 51.125 11.754 1.00 40.53 C
+ATOM 3260 HB1 SER A 912 19.276 51.716 10.921 1.00 0.00 H
+ATOM 3261 HB2 SER A 912 20.066 50.188 11.376 1.00 0.00 H
+ATOM 3262 OG SER A 912 20.664 51.841 12.405 1.00 40.30 O
+ATOM 3263 HG SER A 912 20.294 52.693 12.746 1.00 0.00 H
+ATOM 3264 N LYS A 913 19.374 49.283 14.474 1.00 42.53 N
+ATOM 3265 H LYS A 913 19.610 48.664 13.672 1.00 0.00 H
+ATOM 3266 CA LYS A 913 19.623 48.795 15.845 1.00 41.56 C
+ATOM 3267 HA LYS A 913 18.818 49.183 16.468 1.00 0.00 H
+ATOM 3268 C LYS A 913 20.904 49.294 16.462 1.00 40.91 C
+ATOM 3269 O LYS A 913 21.978 49.121 15.933 1.00 41.90 O
+ATOM 3270 CB LYS A 913 19.652 47.286 15.810 1.00 41.80 C
+ATOM 3271 HB1 LYS A 913 20.485 46.956 15.189 1.00 0.00 H
+ATOM 3272 HB2 LYS A 913 19.782 46.904 16.823 1.00 0.00 H
+ATOM 3273 CG LYS A 913 18.352 46.751 15.234 1.00 45.88 C
+ATOM 3274 HG1 LYS A 913 17.530 47.052 15.883 1.00 0.00 H
+ATOM 3275 HG2 LYS A 913 18.205 47.179 14.242 1.00 0.00 H
+ATOM 3276 CD LYS A 913 18.354 45.258 15.120 1.00 49.80 C
+ATOM 3277 HD1 LYS A 913 19.311 44.925 14.719 1.00 0.00 H
+ATOM 3278 HD2 LYS A 913 18.201 44.818 16.105 1.00 0.00 H
+ATOM 3279 CE LYS A 913 17.241 44.822 14.195 1.00 56.23 C
+ATOM 3280 HE1 LYS A 913 17.642 44.544 13.221 1.00 0.00 H
+ATOM 3281 HE2 LYS A 913 16.512 45.623 14.071 1.00 0.00 H
+ATOM 3282 NZ LYS A 913 16.611 43.641 14.857 1.00 62.71 N
+ATOM 3283 HZ1 LYS A 913 17.322 42.891 14.976 1.00 0.00 H
+ATOM 3284 HZ2 LYS A 913 16.243 43.922 15.788 1.00 0.00 H
+ATOM 3285 HZ3 LYS A 913 15.830 43.289 14.266 1.00 0.00 H
+ATOM 3286 N PRO A 914 20.822 49.879 17.634 1.00 39.95 N
+ATOM 3287 CA PRO A 914 22.085 50.370 18.128 1.00 39.56 C
+ATOM 3288 HA PRO A 914 22.639 50.931 17.375 1.00 0.00 H
+ATOM 3289 C PRO A 914 23.039 49.249 18.527 1.00 40.89 C
+ATOM 3290 O PRO A 914 22.692 48.371 19.273 1.00 41.53 O
+ATOM 3291 CB PRO A 914 21.668 51.202 19.338 1.00 38.02 C
+ATOM 3292 HB1 PRO A 914 22.410 51.132 20.133 1.00 0.00 H
+ATOM 3293 HB2 PRO A 914 21.531 52.248 19.062 1.00 0.00 H
+ATOM 3294 CG PRO A 914 20.408 50.604 19.750 1.00 38.08 C
+ATOM 3295 HG1 PRO A 914 20.600 49.770 20.425 1.00 0.00 H
+ATOM 3296 HG2 PRO A 914 19.796 51.349 20.259 1.00 0.00 H
+ATOM 3297 CD PRO A 914 19.708 50.122 18.553 1.00 38.62 C
+ATOM 3298 HD1 PRO A 914 19.026 50.876 18.160 1.00 0.00 H
+ATOM 3299 HD2 PRO A 914 19.155 49.206 18.758 1.00 0.00 H
+ATOM 3300 N TYR A 915 24.275 49.337 18.069 1.00 43.83 N
+ATOM 3301 H TYR A 915 24.517 50.156 17.475 1.00 0.00 H
+ATOM 3302 CA TYR A 915 25.326 48.357 18.344 1.00 45.01 C
+ATOM 3303 HA TYR A 915 26.245 48.698 17.866 1.00 0.00 H
+ATOM 3304 C TYR A 915 24.884 47.028 17.825 1.00 46.95 C
+ATOM 3305 O TYR A 915 25.096 46.015 18.493 1.00 47.05 O
+ATOM 3306 CB TYR A 915 25.559 48.206 19.837 1.00 44.27 C
+ATOM 3307 HB1 TYR A 915 24.711 47.668 20.260 1.00 0.00 H
+ATOM 3308 HB2 TYR A 915 26.467 47.621 19.982 1.00 0.00 H
+ATOM 3309 CG TYR A 915 25.711 49.490 20.577 1.00 43.81 C
+ATOM 3310 CD1 TYR A 915 26.934 50.207 20.558 1.00 39.48 C
+ATOM 3311 HD1 TYR A 915 27.781 49.812 19.997 1.00 0.00 H
+ATOM 3312 CD2 TYR A 915 24.636 50.003 21.347 1.00 41.43 C
+ATOM 3313 HD2 TYR A 915 23.690 49.462 21.373 1.00 0.00 H
+ATOM 3314 CE1 TYR A 915 27.068 51.422 21.255 1.00 35.52 C
+ATOM 3315 HE1 TYR A 915 27.999 51.988 21.217 1.00 0.00 H
+ATOM 3316 CE2 TYR A 915 24.767 51.177 22.065 1.00 35.53 C
+ATOM 3317 HE2 TYR A 915 23.938 51.540 22.673 1.00 0.00 H
+ATOM 3318 CZ TYR A 915 25.957 51.894 22.011 1.00 37.20 C
+ATOM 3319 OH TYR A 915 26.029 53.078 22.746 1.00 35.23 O
+ATOM 3320 HH TYR A 915 25.886 52.879 23.705 1.00 0.00 H
+ATOM 3321 N ASP A 916 24.204 47.026 16.687 1.00 49.32 N
+ATOM 3322 H ASP A 916 23.984 47.923 16.209 1.00 0.00 H
+ATOM 3323 CA ASP A 916 23.767 45.766 16.111 1.00 52.74 C
+ATOM 3324 HA ASP A 916 22.912 45.445 16.706 1.00 0.00 H
+ATOM 3325 C ASP A 916 24.860 44.703 16.178 1.00 54.68 C
+ATOM 3326 O ASP A 916 26.057 45.002 16.007 1.00 54.95 O
+ATOM 3327 CB ASP A 916 23.346 45.929 14.660 1.00 53.37 C
+ATOM 3328 HB1 ASP A 916 22.814 46.874 14.550 1.00 0.00 H
+ATOM 3329 HB2 ASP A 916 24.237 45.941 14.033 1.00 0.00 H
+ATOM 3330 CG ASP A 916 22.442 44.801 14.208 1.00 55.94 C
+ATOM 3331 OD1 ASP A 916 21.846 44.860 13.091 1.00 56.92 O
+ATOM 3332 OD2 ASP A 916 22.286 43.862 15.017 1.00 58.59 O
+ATOM 3333 N GLY A 917 24.424 43.472 16.461 1.00 56.86 N
+ATOM 3334 H GLY A 917 23.395 43.325 16.501 1.00 0.00 H
+ATOM 3335 CA GLY A 917 25.284 42.311 16.720 1.00 58.07 C
+ATOM 3336 HA1 GLY A 917 24.627 41.457 16.885 1.00 0.00 H
+ATOM 3337 HA2 GLY A 917 25.876 42.144 15.820 1.00 0.00 H
+ATOM 3338 C GLY A 917 26.266 42.361 17.904 1.00 59.24 C
+ATOM 3339 O GLY A 917 27.029 41.411 18.085 1.00 60.01 O
+ATOM 3340 N ILE A 918 26.309 43.426 18.702 1.00 59.00 N
+ATOM 3341 H ILE A 918 25.738 44.268 18.484 1.00 0.00 H
+ATOM 3342 CA ILE A 918 27.171 43.403 19.895 1.00 59.17 C
+ATOM 3343 HA ILE A 918 28.017 42.736 19.730 1.00 0.00 H
+ATOM 3344 C ILE A 918 26.316 42.914 21.062 1.00 60.68 C
+ATOM 3345 O ILE A 918 25.157 43.304 21.176 1.00 61.88 O
+ATOM 3346 CB ILE A 918 27.762 44.772 20.190 1.00 59.23 C
+ATOM 3347 HB ILE A 918 26.947 45.468 20.389 1.00 0.00 H
+ATOM 3348 CG1 ILE A 918 28.542 45.267 18.965 1.00 59.31 C
+ATOM 3349 1HG1 ILE A 918 28.814 44.405 18.356 1.00 0.00 H
+ATOM 3350 2HG1 ILE A 918 27.896 45.928 18.388 1.00 0.00 H
+ATOM 3351 CG2 ILE A 918 28.624 44.765 21.454 1.00 57.83 C
+ATOM 3352 1HG2 ILE A 918 28.014 44.466 22.307 1.00 0.00 H
+ATOM 3353 2HG2 ILE A 918 29.445 44.059 21.328 1.00 0.00 H
+ATOM 3354 3HG2 ILE A 918 29.025 45.764 21.624 1.00 0.00 H
+ATOM 3355 CD1 ILE A 918 29.819 46.029 19.325 1.00 59.73 C
+ATOM 3356 1HD1 ILE A 918 29.563 46.902 19.925 1.00 0.00 H
+ATOM 3357 2HD1 ILE A 918 30.481 45.377 19.894 1.00 0.00 H
+ATOM 3358 3HD1 ILE A 918 30.319 46.349 18.411 1.00 0.00 H
+ATOM 3359 N PRO A 919 26.821 41.955 21.872 1.00 61.27 N
+ATOM 3360 CA PRO A 919 26.064 41.535 23.054 1.00 59.76 C
+ATOM 3361 HA PRO A 919 24.994 41.493 22.852 1.00 0.00 H
+ATOM 3362 C PRO A 919 26.173 42.504 24.224 1.00 58.22 C
+ATOM 3363 O PRO A 919 27.245 43.095 24.507 1.00 57.91 O
+ATOM 3364 CB PRO A 919 26.697 40.167 23.405 1.00 60.38 C
+ATOM 3365 HB1 PRO A 919 27.334 40.256 24.285 1.00 0.00 H
+ATOM 3366 HB2 PRO A 919 25.921 39.424 23.593 1.00 0.00 H
+ATOM 3367 CG PRO A 919 27.544 39.769 22.155 1.00 60.14 C
+ATOM 3368 HG1 PRO A 919 28.376 39.120 22.427 1.00 0.00 H
+ATOM 3369 HG2 PRO A 919 26.932 39.276 21.399 1.00 0.00 H
+ATOM 3370 CD PRO A 919 28.024 41.106 21.684 1.00 61.80 C
+ATOM 3371 HD1 PRO A 919 28.324 41.072 20.637 1.00 0.00 H
+ATOM 3372 HD2 PRO A 919 28.858 41.462 22.289 1.00 0.00 H
+ATOM 3373 N ALA A 920 25.051 42.631 24.913 1.00 56.31 N
+ATOM 3374 H ALA A 920 24.251 42.007 24.685 1.00 0.00 H
+ATOM 3375 CA ALA A 920 24.895 43.605 25.971 1.00 54.92 C
+ATOM 3376 HA ALA A 920 25.023 44.573 25.487 1.00 0.00 H
+ATOM 3377 C ALA A 920 25.985 43.662 27.066 1.00 54.18 C
+ATOM 3378 O ALA A 920 26.203 44.688 27.723 1.00 52.70 O
+ATOM 3379 CB ALA A 920 23.522 43.440 26.568 1.00 55.65 C
+ATOM 3380 HB1 ALA A 920 22.770 43.602 25.796 1.00 0.00 H
+ATOM 3381 HB2 ALA A 920 23.421 42.432 26.970 1.00 0.00 H
+ATOM 3382 HB3 ALA A 920 23.386 44.167 27.369 1.00 0.00 H
+ATOM 3383 N SER A 921 26.700 42.566 27.254 1.00 55.07 N
+ATOM 3384 H SER A 921 26.548 41.746 26.632 1.00 0.00 H
+ATOM 3385 CA SER A 921 27.709 42.481 28.328 1.00 55.73 C
+ATOM 3386 HA SER A 921 27.284 42.880 29.249 1.00 0.00 H
+ATOM 3387 C SER A 921 28.942 43.292 27.984 1.00 56.24 C
+ATOM 3388 O SER A 921 29.593 43.869 28.862 1.00 55.45 O
+ATOM 3389 CB SER A 921 28.103 41.032 28.492 1.00 56.05 C
+ATOM 3390 HB1 SER A 921 28.137 40.774 29.551 1.00 0.00 H
+ATOM 3391 HB2 SER A 921 29.083 40.861 28.047 1.00 0.00 H
+ATOM 3392 OG SER A 921 27.120 40.232 27.827 1.00 58.05 O
+ATOM 3393 HG SER A 921 27.357 39.275 27.920 1.00 0.00 H
+ATOM 3394 N GLU A 922 29.262 43.344 26.688 1.00 57.30 N
+ATOM 3395 H GLU A 922 28.706 42.803 25.995 1.00 0.00 H
+ATOM 3396 CA GLU A 922 30.393 44.159 26.238 1.00 58.20 C
+ATOM 3397 HA GLU A 922 31.201 43.902 26.923 1.00 0.00 H
+ATOM 3398 C GLU A 922 30.199 45.677 26.353 1.00 57.20 C
+ATOM 3399 O GLU A 922 31.203 46.436 26.527 1.00 58.01 O
+ATOM 3400 CB GLU A 922 30.745 43.824 24.799 1.00 59.83 C
+ATOM 3401 HB1 GLU A 922 29.830 43.866 24.208 1.00 0.00 H
+ATOM 3402 HB2 GLU A 922 31.445 44.577 24.437 1.00 0.00 H
+ATOM 3403 CG GLU A 922 31.389 42.429 24.593 1.00 63.47 C
+ATOM 3404 HG1 GLU A 922 32.465 42.539 24.456 1.00 0.00 H
+ATOM 3405 HG2 GLU A 922 31.197 41.805 25.466 1.00 0.00 H
+ATOM 3406 CD GLU A 922 30.781 41.782 23.359 1.00 71.42 C
+ATOM 3407 OE1 GLU A 922 29.635 41.238 23.492 1.00 72.18 O
+ATOM 3408 OE2 GLU A 922 31.400 41.874 22.249 1.00 73.18 O
+ATOM 3409 N ILE A 923 28.929 46.106 26.276 1.00 54.42 N
+ATOM 3410 H ILE A 923 28.167 45.399 26.306 1.00 0.00 H
+ATOM 3411 CA ILE A 923 28.563 47.511 26.153 1.00 52.38 C
+ATOM 3412 HA ILE A 923 28.905 47.883 25.187 1.00 0.00 H
+ATOM 3413 C ILE A 923 29.288 48.355 27.212 1.00 51.59 C
+ATOM 3414 O ILE A 923 29.894 49.351 26.908 1.00 51.55 O
+ATOM 3415 CB ILE A 923 26.980 47.705 26.132 1.00 52.01 C
+ATOM 3416 HB ILE A 923 26.638 47.409 27.124 1.00 0.00 H
+ATOM 3417 CG1 ILE A 923 26.286 46.791 25.119 1.00 49.80 C
+ATOM 3418 1HG1 ILE A 923 26.703 45.791 25.242 1.00 0.00 H
+ATOM 3419 2HG1 ILE A 923 25.225 46.774 25.368 1.00 0.00 H
+ATOM 3420 CG2 ILE A 923 26.574 49.147 25.925 1.00 52.66 C
+ATOM 3421 1HG2 ILE A 923 26.976 49.756 26.735 1.00 0.00 H
+ATOM 3422 2HG2 ILE A 923 26.968 49.501 24.972 1.00 0.00 H
+ATOM 3423 3HG2 ILE A 923 25.486 49.220 25.919 1.00 0.00 H
+ATOM 3424 CD1 ILE A 923 26.400 47.145 23.688 1.00 50.90 C
+ATOM 3425 1HD1 ILE A 923 25.972 48.134 23.524 1.00 0.00 H
+ATOM 3426 2HD1 ILE A 923 27.451 47.150 23.399 1.00 0.00 H
+ATOM 3427 3HD1 ILE A 923 25.861 46.411 23.089 1.00 0.00 H
+ATOM 3428 N SER A 924 29.258 47.936 28.454 1.00 51.98 N
+ATOM 3429 H SER A 924 28.709 47.087 28.699 1.00 0.00 H
+ATOM 3430 CA SER A 924 29.987 48.650 29.492 1.00 52.62 C
+ATOM 3431 HA SER A 924 29.444 49.575 29.688 1.00 0.00 H
+ATOM 3432 C SER A 924 31.419 48.995 29.046 1.00 51.73 C
+ATOM 3433 O SER A 924 31.903 50.097 29.270 1.00 50.41 O
+ATOM 3434 CB SER A 924 30.070 47.784 30.780 1.00 53.37 C
+ATOM 3435 HB1 SER A 924 29.065 47.482 31.076 1.00 0.00 H
+ATOM 3436 HB2 SER A 924 30.522 48.371 31.580 1.00 0.00 H
+ATOM 3437 OG SER A 924 30.889 46.580 30.536 1.00 56.29 O
+ATOM 3438 HG SER A 924 30.479 46.044 29.812 1.00 0.00 H
+ATOM 3439 N SER A 925 32.140 48.020 28.496 1.00 52.33 N
+ATOM 3440 H SER A 925 31.695 47.137 28.173 1.00 0.00 H
+ATOM 3441 CA SER A 925 33.603 48.239 28.360 1.00 53.38 C
+ATOM 3442 HA SER A 925 33.965 48.770 29.240 1.00 0.00 H
+ATOM 3443 C SER A 925 33.892 49.150 27.146 1.00 51.54 C
+ATOM 3444 O SER A 925 34.665 50.124 27.242 1.00 51.06 O
+ATOM 3445 CB SER A 925 34.399 46.911 28.368 1.00 53.54 C
+ATOM 3446 HB1 SER A 925 34.467 46.535 29.389 1.00 0.00 H
+ATOM 3447 HB2 SER A 925 35.402 47.087 27.980 1.00 0.00 H
+ATOM 3448 OG SER A 925 33.732 45.940 27.545 1.00 55.94 O
+ATOM 3449 HG SER A 925 32.821 45.779 27.899 1.00 0.00 H
+ATOM 3450 N ILE A 926 33.174 48.883 26.065 1.00 50.21 N
+ATOM 3451 H ILE A 926 32.608 48.011 26.038 1.00 0.00 H
+ATOM 3452 CA ILE A 926 33.155 49.775 24.914 1.00 49.45 C
+ATOM 3453 HA ILE A 926 34.111 49.695 24.397 1.00 0.00 H
+ATOM 3454 C ILE A 926 32.953 51.221 25.361 1.00 49.77 C
+ATOM 3455 O ILE A 926 33.760 52.119 25.045 1.00 50.00 O
+ATOM 3456 CB ILE A 926 32.055 49.386 23.998 1.00 49.14 C
+ATOM 3457 HB ILE A 926 31.171 49.104 24.570 1.00 0.00 H
+ATOM 3458 CG1 ILE A 926 32.464 48.164 23.170 1.00 45.34 C
+ATOM 3459 1HG1 ILE A 926 33.167 48.490 22.404 1.00 0.00 H
+ATOM 3460 2HG1 ILE A 926 32.955 47.451 23.832 1.00 0.00 H
+ATOM 3461 CG2 ILE A 926 31.700 50.565 23.129 1.00 50.65 C
+ATOM 3462 1HG2 ILE A 926 31.379 51.395 23.758 1.00 0.00 H
+ATOM 3463 2HG2 ILE A 926 32.574 50.864 22.549 1.00 0.00 H
+ATOM 3464 3HG2 ILE A 926 30.892 50.286 22.453 1.00 0.00 H
+ATOM 3465 CD1 ILE A 926 31.304 47.457 22.484 1.00 41.14 C
+ATOM 3466 1HD1 ILE A 926 30.595 47.111 23.236 1.00 0.00 H
+ATOM 3467 2HD1 ILE A 926 30.807 48.151 21.806 1.00 0.00 H
+ATOM 3468 3HD1 ILE A 926 31.682 46.604 21.920 1.00 0.00 H
+ATOM 3469 N LEU A 927 31.921 51.461 26.154 1.00 48.80 N
+ATOM 3470 H LEU A 927 31.313 50.686 26.488 1.00 0.00 H
+ATOM 3471 CA LEU A 927 31.663 52.821 26.541 1.00 49.05 C
+ATOM 3472 HA LEU A 927 31.610 53.365 25.598 1.00 0.00 H
+ATOM 3473 C LEU A 927 32.747 53.466 27.349 1.00 49.57 C
+ATOM 3474 O LEU A 927 32.891 54.701 27.362 1.00 49.97 O
+ATOM 3475 CB LEU A 927 30.355 52.925 27.311 1.00 48.56 C
+ATOM 3476 HB1 LEU A 927 30.424 52.276 28.184 1.00 0.00 H
+ATOM 3477 HB2 LEU A 927 30.236 53.958 27.637 1.00 0.00 H
+ATOM 3478 CG LEU A 927 29.111 52.531 26.526 1.00 47.46 C
+ATOM 3479 HG LEU A 927 29.200 51.499 26.186 1.00 0.00 H
+ATOM 3480 CD1 LEU A 927 27.876 52.674 27.489 1.00 45.56 C
+ATOM 3481 1HD1 LEU A 927 28.008 52.016 28.348 1.00 0.00 H
+ATOM 3482 2HD1 LEU A 927 27.800 53.707 27.829 1.00 0.00 H
+ATOM 3483 3HD1 LEU A 927 26.967 52.398 26.955 1.00 0.00 H
+ATOM 3484 CD2 LEU A 927 28.944 53.367 25.238 1.00 43.06 C
+ATOM 3485 1HD2 LEU A 927 28.860 54.422 25.499 1.00 0.00 H
+ATOM 3486 2HD2 LEU A 927 29.812 53.219 24.595 1.00 0.00 H
+ATOM 3487 3HD2 LEU A 927 28.043 53.048 24.714 1.00 0.00 H
+ATOM 3488 N GLU A 928 33.495 52.673 28.094 1.00 51.27 N
+ATOM 3489 H GLU A 928 33.413 51.638 28.040 1.00 0.00 H
+ATOM 3490 CA GLU A 928 34.450 53.324 29.004 1.00 52.65 C
+ATOM 3491 HA GLU A 928 34.066 54.298 29.307 1.00 0.00 H
+ATOM 3492 C GLU A 928 35.738 53.442 28.237 1.00 52.30 C
+ATOM 3493 O GLU A 928 36.515 54.379 28.499 1.00 52.41 O
+ATOM 3494 CB GLU A 928 34.645 52.581 30.320 1.00 53.98 C
+ATOM 3495 HB1 GLU A 928 35.640 52.136 30.319 1.00 0.00 H
+ATOM 3496 HB2 GLU A 928 34.572 53.301 31.135 1.00 0.00 H
+ATOM 3497 CG GLU A 928 33.620 51.470 30.565 1.00 56.67 C
+ATOM 3498 HG1 GLU A 928 32.620 51.905 30.568 1.00 0.00 H
+ATOM 3499 HG2 GLU A 928 33.693 50.737 29.762 1.00 0.00 H
+ATOM 3500 CD GLU A 928 33.863 50.764 31.910 1.00 62.41 C
+ATOM 3501 OE1 GLU A 928 33.703 49.497 31.931 1.00 64.78 O
+ATOM 3502 OE2 GLU A 928 34.203 51.483 32.914 1.00 59.98 O
+ATOM 3503 N LYS A 929 35.914 52.536 27.249 1.00 51.59 N
+ATOM 3504 H LYS A 929 35.282 51.710 27.215 1.00 0.00 H
+ATOM 3505 CA LYS A 929 36.968 52.665 26.209 1.00 51.37 C
+ATOM 3506 HA LYS A 929 37.925 52.762 26.721 1.00 0.00 H
+ATOM 3507 C LYS A 929 36.789 53.971 25.370 1.00 50.96 C
+ATOM 3508 O LYS A 929 37.715 54.399 24.644 1.00 51.65 O
+ATOM 3509 CB LYS A 929 37.092 51.389 25.342 1.00 51.12 C
+ATOM 3510 HB1 LYS A 929 37.346 50.542 25.979 1.00 0.00 H
+ATOM 3511 HB2 LYS A 929 36.143 51.198 24.841 1.00 0.00 H
+ATOM 3512 N GLY A 930 35.615 54.614 25.507 1.00 49.35 N
+ATOM 3513 H GLY A 930 34.872 54.156 26.072 1.00 0.00 H
+ATOM 3514 CA GLY A 930 35.318 55.921 24.909 1.00 45.97 C
+ATOM 3515 HA1 GLY A 930 34.692 56.484 25.601 1.00 0.00 H
+ATOM 3516 HA2 GLY A 930 36.257 56.453 24.755 1.00 0.00 H
+ATOM 3517 C GLY A 930 34.592 55.822 23.569 1.00 43.80 C
+ATOM 3518 O GLY A 930 34.313 56.825 22.978 1.00 43.79 O
+ATOM 3519 N GLU A 931 34.285 54.622 23.104 1.00 42.00 N
+ATOM 3520 H GLU A 931 34.588 53.786 23.644 1.00 0.00 H
+ATOM 3521 CA GLU A 931 33.541 54.421 21.867 1.00 42.79 C
+ATOM 3522 HA GLU A 931 33.990 55.081 21.125 1.00 0.00 H
+ATOM 3523 C GLU A 931 32.048 54.845 21.924 1.00 42.22 C
+ATOM 3524 O GLU A 931 31.383 54.737 22.997 1.00 43.39 O
+ATOM 3525 CB GLU A 931 33.660 52.947 21.455 1.00 43.00 C
+ATOM 3526 HB1 GLU A 931 34.686 52.777 21.127 1.00 0.00 H
+ATOM 3527 HB2 GLU A 931 33.456 52.340 22.337 1.00 0.00 H
+ATOM 3528 CG GLU A 931 32.696 52.452 20.296 1.00 51.37 C
+ATOM 3529 HG1 GLU A 931 31.674 52.437 20.675 1.00 0.00 H
+ATOM 3530 HG2 GLU A 931 32.763 53.153 19.464 1.00 0.00 H
+ATOM 3531 CD GLU A 931 33.059 51.017 19.774 1.00 58.44 C
+ATOM 3532 OE1 GLU A 931 32.264 50.363 19.005 1.00 59.45 O
+ATOM 3533 OE2 GLU A 931 34.184 50.561 20.144 1.00 62.87 O
+ATOM 3534 N ARG A 932 31.513 55.351 20.808 1.00 39.39 N
+ATOM 3535 H ARG A 932 32.114 55.539 19.980 1.00 0.00 H
+ATOM 3536 CA ARG A 932 30.080 55.639 20.755 1.00 37.46 C
+ATOM 3537 HA ARG A 932 29.665 55.029 21.558 1.00 0.00 H
+ATOM 3538 C ARG A 932 29.389 55.195 19.488 1.00 36.85 C
+ATOM 3539 O ARG A 932 30.006 54.675 18.601 1.00 37.01 O
+ATOM 3540 CB ARG A 932 29.776 57.094 21.030 1.00 35.58 C
+ATOM 3541 HB1 ARG A 932 30.299 57.690 20.282 1.00 0.00 H
+ATOM 3542 HB2 ARG A 932 28.701 57.236 20.919 1.00 0.00 H
+ATOM 3543 CG ARG A 932 30.165 57.604 22.369 1.00 32.91 C
+ATOM 3544 HG1 ARG A 932 31.242 57.479 22.484 1.00 0.00 H
+ATOM 3545 HG2 ARG A 932 29.916 58.664 22.417 1.00 0.00 H
+ATOM 3546 CD ARG A 932 29.465 56.887 23.545 1.00 27.09 C
+ATOM 3547 HD1 ARG A 932 29.866 55.880 23.662 1.00 0.00 H
+ATOM 3548 HD2 ARG A 932 28.392 56.830 23.364 1.00 0.00 H
+ATOM 3549 NE ARG A 932 29.738 57.697 24.775 1.00 28.53 N
+ATOM 3550 HE ARG A 932 29.132 58.513 24.995 1.00 0.00 H
+ATOM 3551 CZ ARG A 932 30.739 57.392 25.588 1.00 29.41 C
+ATOM 3552 NH1 ARG A 932 30.953 58.106 26.659 1.00 25.50 N
+ATOM 3553 1HH1 ARG A 932 30.338 58.916 26.876 1.00 0.00 H
+ATOM 3554 2HH1 ARG A 932 31.739 57.865 27.296 1.00 0.00 H
+ATOM 3555 NH2 ARG A 932 31.515 56.304 25.300 1.00 28.90 N
+ATOM 3556 1HH2 ARG A 932 31.315 55.732 24.455 1.00 0.00 H
+ATOM 3557 2HH2 ARG A 932 32.305 56.049 25.926 1.00 0.00 H
+ATOM 3558 N LEU A 933 28.079 55.367 19.412 1.00 37.29 N
+ATOM 3559 H LEU A 933 27.542 55.709 20.234 1.00 0.00 H
+ATOM 3560 CA LEU A 933 27.401 55.069 18.157 1.00 37.05 C
+ATOM 3561 HA LEU A 933 27.588 54.031 17.883 1.00 0.00 H
+ATOM 3562 C LEU A 933 27.966 56.007 17.037 1.00 36.47 C
+ATOM 3563 O LEU A 933 28.399 57.157 17.309 1.00 33.85 O
+ATOM 3564 CB LEU A 933 25.900 55.231 18.300 1.00 37.86 C
+ATOM 3565 HB1 LEU A 933 25.705 56.232 18.684 1.00 0.00 H
+ATOM 3566 HB2 LEU A 933 25.455 55.130 17.310 1.00 0.00 H
+ATOM 3567 CG LEU A 933 25.211 54.224 19.233 1.00 38.19 C
+ATOM 3568 HG LEU A 933 25.905 54.036 20.052 1.00 0.00 H
+ATOM 3569 CD1 LEU A 933 23.939 54.779 19.822 1.00 34.57 C
+ATOM 3570 1HD1 LEU A 933 24.168 55.676 20.397 1.00 0.00 H
+ATOM 3571 2HD1 LEU A 933 23.246 55.028 19.018 1.00 0.00 H
+ATOM 3572 3HD1 LEU A 933 23.486 54.033 20.475 1.00 0.00 H
+ATOM 3573 CD2 LEU A 933 24.937 52.909 18.532 1.00 39.34 C
+ATOM 3574 1HD2 LEU A 933 24.287 53.084 17.675 1.00 0.00 H
+ATOM 3575 2HD2 LEU A 933 25.878 52.476 18.193 1.00 0.00 H
+ATOM 3576 3HD2 LEU A 933 24.449 52.224 19.225 1.00 0.00 H
+ATOM 3577 N PRO A 934 28.023 55.484 15.813 1.00 35.57 N
+ATOM 3578 CA PRO A 934 28.610 56.224 14.695 1.00 36.07 C
+ATOM 3579 HA PRO A 934 29.481 56.800 15.006 1.00 0.00 H
+ATOM 3580 C PRO A 934 27.637 57.299 14.089 1.00 35.78 C
+ATOM 3581 O PRO A 934 26.426 57.208 14.220 1.00 32.76 O
+ATOM 3582 CB PRO A 934 28.933 55.124 13.666 1.00 35.24 C
+ATOM 3583 HB1 PRO A 934 28.935 55.526 12.653 1.00 0.00 H
+ATOM 3584 HB2 PRO A 934 29.899 54.665 13.875 1.00 0.00 H
+ATOM 3585 CG PRO A 934 27.786 54.107 13.855 1.00 37.61 C
+ATOM 3586 HG1 PRO A 934 26.902 54.406 13.291 1.00 0.00 H
+ATOM 3587 HG2 PRO A 934 28.094 53.109 13.544 1.00 0.00 H
+ATOM 3588 CD PRO A 934 27.508 54.155 15.412 1.00 36.61 C
+ATOM 3589 HD1 PRO A 934 28.042 53.357 15.928 1.00 0.00 H
+ATOM 3590 HD2 PRO A 934 26.441 54.071 15.621 1.00 0.00 H
+ATOM 3591 N GLN A 935 28.233 58.313 13.457 1.00 35.97 N
+ATOM 3592 H GLN A 935 29.270 58.307 13.381 1.00 0.00 H
+ATOM 3593 CA GLN A 935 27.517 59.405 12.880 1.00 36.11 C
+ATOM 3594 HA GLN A 935 26.878 59.873 13.629 1.00 0.00 H
+ATOM 3595 C GLN A 935 26.606 58.910 11.769 1.00 35.77 C
+ATOM 3596 O GLN A 935 27.071 58.352 10.837 1.00 36.70 O
+ATOM 3597 CB GLN A 935 28.501 60.435 12.392 1.00 35.63 C
+ATOM 3598 HB1 GLN A 935 29.192 60.652 13.207 1.00 0.00 H
+ATOM 3599 HB2 GLN A 935 29.051 60.003 11.556 1.00 0.00 H
+ATOM 3600 CG GLN A 935 27.901 61.749 11.927 1.00 37.88 C
+ATOM 3601 HG1 GLN A 935 27.218 61.548 11.102 1.00 0.00 H
+ATOM 3602 HG2 GLN A 935 27.348 62.193 12.755 1.00 0.00 H
+ATOM 3603 CD GLN A 935 28.957 62.743 11.456 1.00 35.07 C
+ATOM 3604 OE1 GLN A 935 30.119 62.586 11.743 1.00 35.85 O
+ATOM 3605 NE2 GLN A 935 28.526 63.810 10.827 1.00 36.47 N
+ATOM 3606 1HE2 GLN A 935 29.194 64.560 10.557 1.00 0.00 H
+ATOM 3607 2HE2 GLN A 935 27.516 63.906 10.598 1.00 0.00 H
+ATOM 3608 N PRO A 936 25.286 59.102 11.894 1.00 35.08 N
+ATOM 3609 CA PRO A 936 24.407 58.620 10.820 1.00 35.72 C
+ATOM 3610 HA PRO A 936 24.551 57.564 10.591 1.00 0.00 H
+ATOM 3611 C PRO A 936 24.676 59.401 9.503 1.00 35.79 C
+ATOM 3612 O PRO A 936 25.002 60.589 9.585 1.00 35.26 O
+ATOM 3613 CB PRO A 936 22.990 58.954 11.352 1.00 34.97 C
+ATOM 3614 HB1 PRO A 936 22.629 59.892 10.929 1.00 0.00 H
+ATOM 3615 HB2 PRO A 936 22.289 58.155 11.112 1.00 0.00 H
+ATOM 3616 CG PRO A 936 23.168 59.072 12.805 1.00 34.04 C
+ATOM 3617 HG1 PRO A 936 22.387 59.699 13.235 1.00 0.00 H
+ATOM 3618 HG2 PRO A 936 23.142 58.088 13.274 1.00 0.00 H
+ATOM 3619 CD PRO A 936 24.527 59.714 12.994 1.00 33.40 C
+ATOM 3620 HD1 PRO A 936 24.956 59.464 13.964 1.00 0.00 H
+ATOM 3621 HD2 PRO A 936 24.475 60.798 12.890 1.00 0.00 H
+ATOM 3622 N PRO A 937 24.633 58.727 8.328 1.00 35.15 N
+ATOM 3623 CA PRO A 937 24.897 59.430 7.039 1.00 35.37 C
+ATOM 3624 HA PRO A 937 25.945 59.728 7.027 1.00 0.00 H
+ATOM 3625 C PRO A 937 24.149 60.740 6.829 1.00 35.16 C
+ATOM 3626 O PRO A 937 24.749 61.710 6.363 1.00 36.06 O
+ATOM 3627 CB PRO A 937 24.506 58.427 5.937 1.00 34.03 C
+ATOM 3628 HB1 PRO A 937 23.622 58.777 5.403 1.00 0.00 H
+ATOM 3629 HB2 PRO A 937 25.328 58.300 5.232 1.00 0.00 H
+ATOM 3630 CG PRO A 937 24.215 57.136 6.634 1.00 35.81 C
+ATOM 3631 HG1 PRO A 937 23.156 56.898 6.537 1.00 0.00 H
+ATOM 3632 HG2 PRO A 937 24.808 56.338 6.188 1.00 0.00 H
+ATOM 3633 CD PRO A 937 24.583 57.281 8.145 1.00 34.68 C
+ATOM 3634 HD1 PRO A 937 25.549 56.824 8.360 1.00 0.00 H
+ATOM 3635 HD2 PRO A 937 23.820 56.831 8.780 1.00 0.00 H
+ATOM 3636 N ILE A 938 22.859 60.789 7.142 1.00 33.42 N
+ATOM 3637 H ILE A 938 22.363 59.948 7.499 1.00 0.00 H
+ATOM 3638 CA ILE A 938 22.164 62.045 6.972 1.00 30.27 C
+ATOM 3639 HA ILE A 938 22.463 62.394 5.983 1.00 0.00 H
+ATOM 3640 C ILE A 938 22.596 63.177 7.921 1.00 30.85 C
+ATOM 3641 O ILE A 938 22.203 64.328 7.696 1.00 31.95 O
+ATOM 3642 CB ILE A 938 20.653 61.840 7.009 1.00 31.72 C
+ATOM 3643 HB ILE A 938 20.173 62.782 6.743 1.00 0.00 H
+ATOM 3644 CG1 ILE A 938 20.156 61.496 8.447 1.00 29.64 C
+ATOM 3645 1HG1 ILE A 938 20.520 60.505 8.717 1.00 0.00 H
+ATOM 3646 2HG1 ILE A 938 20.559 62.232 9.143 1.00 0.00 H
+ATOM 3647 CG2 ILE A 938 20.202 60.782 5.931 1.00 25.87 C
+ATOM 3648 1HG2 ILE A 938 20.484 61.133 4.939 1.00 0.00 H
+ATOM 3649 2HG2 ILE A 938 20.690 59.829 6.133 1.00 0.00 H
+ATOM 3650 3HG2 ILE A 938 19.121 60.655 5.979 1.00 0.00 H
+ATOM 3651 CD1 ILE A 938 18.677 61.505 8.545 1.00 27.35 C
+ATOM 3652 1HD1 ILE A 938 18.303 62.495 8.284 1.00 0.00 H
+ATOM 3653 2HD1 ILE A 938 18.264 60.767 7.858 1.00 0.00 H
+ATOM 3654 3HD1 ILE A 938 18.380 61.260 9.565 1.00 0.00 H
+ATOM 3655 N CYS A 939 23.424 62.938 8.933 1.00 29.24 N
+ATOM 3656 H CYS A 939 23.942 62.038 8.995 1.00 0.00 H
+ATOM 3657 CA CYS A 939 23.590 63.962 9.951 1.00 30.21 C
+ATOM 3658 HA CYS A 939 22.650 64.510 9.894 1.00 0.00 H
+ATOM 3659 C CYS A 939 24.750 64.872 9.729 1.00 30.75 C
+ATOM 3660 O CYS A 939 25.896 64.431 9.575 1.00 30.32 O
+ATOM 3661 CB CYS A 939 23.864 63.352 11.334 1.00 31.29 C
+ATOM 3662 HB1 CYS A 939 24.296 64.127 11.968 1.00 0.00 H
+ATOM 3663 HB2 CYS A 939 24.583 62.542 11.212 1.00 0.00 H
+ATOM 3664 SG CYS A 939 22.459 62.715 12.136 1.00 35.53 S
+ATOM 3665 HG CYS A 939 22.826 62.197 13.361 1.00 0.00 H
+ATOM 3666 N THR A 940 24.486 66.161 9.868 1.00 30.69 N
+ATOM 3667 H THR A 940 23.510 66.494 10.000 1.00 0.00 H
+ATOM 3668 CA THR A 940 25.573 67.081 9.832 1.00 30.26 C
+ATOM 3669 HA THR A 940 26.258 66.859 9.014 1.00 0.00 H
+ATOM 3670 C THR A 940 26.223 66.976 11.189 1.00 30.51 C
+ATOM 3671 O THR A 940 25.667 66.458 12.154 1.00 30.15 O
+ATOM 3672 CB THR A 940 25.063 68.486 9.645 1.00 30.24 C
+ATOM 3673 HB THR A 940 25.852 69.220 9.811 1.00 0.00 H
+ATOM 3674 OG1 THR A 940 24.012 68.719 10.616 1.00 28.03 O
+ATOM 3675 HG1 THR A 940 23.280 68.068 10.471 1.00 0.00 H
+ATOM 3676 CG2 THR A 940 24.567 68.675 8.159 1.00 27.52 C
+ATOM 3677 1HG2 THR A 940 23.759 67.972 7.955 1.00 0.00 H
+ATOM 3678 2HG2 THR A 940 24.206 69.695 8.025 1.00 0.00 H
+ATOM 3679 3HG2 THR A 940 25.395 68.488 7.475 1.00 0.00 H
+ATOM 3680 N ILE A 941 27.394 67.543 11.270 1.00 30.36 N
+ATOM 3681 H ILE A 941 27.780 68.055 10.452 1.00 0.00 H
+ATOM 3682 CA ILE A 941 28.139 67.463 12.466 1.00 29.95 C
+ATOM 3683 HA ILE A 941 28.246 66.438 12.821 1.00 0.00 H
+ATOM 3684 C ILE A 941 27.380 68.206 13.574 1.00 30.31 C
+ATOM 3685 O ILE A 941 27.368 67.745 14.677 1.00 30.86 O
+ATOM 3686 CB ILE A 941 29.570 67.951 12.202 1.00 30.45 C
+ATOM 3687 HB ILE A 941 29.931 67.601 11.235 1.00 0.00 H
+ATOM 3688 CG1 ILE A 941 30.503 67.333 13.241 1.00 29.39 C
+ATOM 3689 1HG1 ILE A 941 29.900 66.833 13.999 1.00 0.00 H
+ATOM 3690 2HG1 ILE A 941 31.142 66.602 12.746 1.00 0.00 H
+ATOM 3691 CG2 ILE A 941 29.636 69.532 12.040 1.00 28.31 C
+ATOM 3692 1HG2 ILE A 941 29.010 69.836 11.201 1.00 0.00 H
+ATOM 3693 2HG2 ILE A 941 29.276 70.005 12.954 1.00 0.00 H
+ATOM 3694 3HG2 ILE A 941 30.667 69.834 11.855 1.00 0.00 H
+ATOM 3695 CD1 ILE A 941 31.314 68.286 13.869 1.00 29.51 C
+ATOM 3696 1HD1 ILE A 941 31.929 68.787 13.121 1.00 0.00 H
+ATOM 3697 2HD1 ILE A 941 30.686 69.019 14.375 1.00 0.00 H
+ATOM 3698 3HD1 ILE A 941 31.957 67.791 14.597 1.00 0.00 H
+ATOM 3699 N ASP A 942 26.705 69.316 13.278 1.00 29.74 N
+ATOM 3700 H ASP A 942 26.820 69.740 12.335 1.00 0.00 H
+ATOM 3701 CA ASP A 942 25.779 69.976 14.268 1.00 30.42 C
+ATOM 3702 HA ASP A 942 26.458 70.445 14.980 1.00 0.00 H
+ATOM 3703 C ASP A 942 24.862 69.011 15.066 1.00 30.44 C
+ATOM 3704 O ASP A 942 24.763 69.092 16.285 1.00 30.83 O
+ATOM 3705 CB ASP A 942 24.882 70.986 13.581 1.00 28.38 C
+ATOM 3706 HB1 ASP A 942 24.199 70.457 12.916 1.00 0.00 H
+ATOM 3707 HB2 ASP A 942 24.308 71.521 14.338 1.00 0.00 H
+ATOM 3708 CG ASP A 942 25.673 71.978 12.778 1.00 33.91 C
+ATOM 3709 OD1 ASP A 942 26.129 71.705 11.609 1.00 32.36 O
+ATOM 3710 OD2 ASP A 942 25.895 73.061 13.343 1.00 38.62 O
+ATOM 3711 N VAL A 943 24.210 68.107 14.359 1.00 28.90 N
+ATOM 3712 H VAL A 943 24.409 68.019 13.342 1.00 0.00 H
+ATOM 3713 CA VAL A 943 23.256 67.262 14.945 1.00 28.78 C
+ATOM 3714 HA VAL A 943 22.655 67.820 15.663 1.00 0.00 H
+ATOM 3715 C VAL A 943 23.969 66.127 15.640 1.00 30.45 C
+ATOM 3716 O VAL A 943 23.551 65.738 16.707 1.00 31.31 O
+ATOM 3717 CB VAL A 943 22.345 66.680 13.832 1.00 29.67 C
+ATOM 3718 HB VAL A 943 22.971 66.275 13.037 1.00 0.00 H
+ATOM 3719 CG1 VAL A 943 21.504 65.538 14.352 1.00 26.75 C
+ATOM 3720 1HG1 VAL A 943 22.156 64.745 14.717 1.00 0.00 H
+ATOM 3721 2HG1 VAL A 943 20.873 65.894 15.166 1.00 0.00 H
+ATOM 3722 3HG1 VAL A 943 20.878 65.154 13.547 1.00 0.00 H
+ATOM 3723 CG2 VAL A 943 21.479 67.788 13.263 1.00 26.10 C
+ATOM 3724 1HG2 VAL A 943 20.862 68.210 14.057 1.00 0.00 H
+ATOM 3725 2HG2 VAL A 943 22.116 68.567 12.844 1.00 0.00 H
+ATOM 3726 3HG2 VAL A 943 20.838 67.381 12.481 1.00 0.00 H
+ATOM 3727 N TYR A 944 25.030 65.562 15.036 1.00 31.13 N
+ATOM 3728 H TYR A 944 25.312 65.881 14.087 1.00 0.00 H
+ATOM 3729 CA TYR A 944 25.777 64.524 15.688 1.00 30.80 C
+ATOM 3730 HA TYR A 944 25.087 63.709 15.906 1.00 0.00 H
+ATOM 3731 C TYR A 944 26.401 65.032 16.999 1.00 31.12 C
+ATOM 3732 O TYR A 944 26.490 64.310 17.983 1.00 31.57 O
+ATOM 3733 CB TYR A 944 26.898 64.044 14.784 1.00 30.99 C
+ATOM 3734 HB1 TYR A 944 26.480 63.847 13.797 1.00 0.00 H
+ATOM 3735 HB2 TYR A 944 27.641 64.838 14.711 1.00 0.00 H
+ATOM 3736 CG TYR A 944 27.616 62.746 15.279 1.00 31.38 C
+ATOM 3737 CD1 TYR A 944 29.001 62.698 15.390 1.00 31.28 C
+ATOM 3738 HD1 TYR A 944 29.595 63.573 15.127 1.00 0.00 H
+ATOM 3739 CD2 TYR A 944 26.892 61.587 15.629 1.00 31.93 C
+ATOM 3740 HD2 TYR A 944 25.805 61.605 15.551 1.00 0.00 H
+ATOM 3741 CE1 TYR A 944 29.625 61.561 15.827 1.00 31.53 C
+ATOM 3742 HE1 TYR A 944 30.711 61.544 15.919 1.00 0.00 H
+ATOM 3743 CE2 TYR A 944 27.514 60.416 16.072 1.00 29.03 C
+ATOM 3744 HE2 TYR A 944 26.940 59.529 16.341 1.00 0.00 H
+ATOM 3745 CZ TYR A 944 28.900 60.441 16.151 1.00 33.17 C
+ATOM 3746 OH TYR A 944 29.594 59.353 16.538 1.00 31.75 O
+ATOM 3747 HH TYR A 944 29.316 59.094 17.452 1.00 0.00 H
+ATOM 3748 N MET A 945 26.876 66.250 16.997 1.00 30.82 N
+ATOM 3749 H MET A 945 26.732 66.867 16.172 1.00 0.00 H
+ATOM 3750 CA MET A 945 27.592 66.725 18.132 1.00 33.31 C
+ATOM 3751 HA MET A 945 28.459 66.099 18.344 1.00 0.00 H
+ATOM 3752 C MET A 945 26.631 66.695 19.319 1.00 33.17 C
+ATOM 3753 O MET A 945 27.005 66.463 20.472 1.00 34.22 O
+ATOM 3754 CB MET A 945 28.117 68.146 17.866 1.00 33.68 C
+ATOM 3755 HB1 MET A 945 28.680 68.123 16.933 1.00 0.00 H
+ATOM 3756 HB2 MET A 945 27.255 68.803 17.752 1.00 0.00 H
+ATOM 3757 CG MET A 945 29.008 68.738 18.925 1.00 40.50 C
+ATOM 3758 HG1 MET A 945 28.518 68.644 19.894 1.00 0.00 H
+ATOM 3759 HG2 MET A 945 29.171 69.793 18.703 1.00 0.00 H
+ATOM 3760 SD MET A 945 30.638 67.878 18.989 1.00 53.87 S
+ATOM 3761 CE MET A 945 30.867 67.806 17.246 1.00 43.40 C
+ATOM 3762 HE1 MET A 945 30.049 67.242 16.796 1.00 0.00 H
+ATOM 3763 HE2 MET A 945 30.879 68.818 16.840 1.00 0.00 H
+ATOM 3764 HE3 MET A 945 31.814 67.314 17.025 1.00 0.00 H
+ATOM 3765 N ILE A 946 25.380 66.948 19.041 1.00 32.31 N
+ATOM 3766 H ILE A 946 25.086 67.160 18.066 1.00 0.00 H
+ATOM 3767 CA ILE A 946 24.422 66.928 20.103 1.00 32.23 C
+ATOM 3768 HA ILE A 946 24.804 67.559 20.905 1.00 0.00 H
+ATOM 3769 C ILE A 946 24.232 65.495 20.651 1.00 31.95 C
+ATOM 3770 O ILE A 946 24.131 65.306 21.871 1.00 30.09 O
+ATOM 3771 CB ILE A 946 23.086 67.484 19.635 1.00 32.64 C
+ATOM 3772 HB ILE A 946 22.844 67.028 18.675 1.00 0.00 H
+ATOM 3773 CG1 ILE A 946 23.150 69.000 19.457 1.00 32.44 C
+ATOM 3774 1HG1 ILE A 946 23.335 69.473 20.421 1.00 0.00 H
+ATOM 3775 2HG1 ILE A 946 23.957 69.253 18.769 1.00 0.00 H
+ATOM 3776 CG2 ILE A 946 22.047 67.169 20.646 1.00 32.71 C
+ATOM 3777 1HG2 ILE A 946 21.973 66.088 20.765 1.00 0.00 H
+ATOM 3778 2HG2 ILE A 946 22.320 67.623 21.599 1.00 0.00 H
+ATOM 3779 3HG2 ILE A 946 21.087 67.566 20.315 1.00 0.00 H
+ATOM 3780 CD1 ILE A 946 21.859 69.483 18.907 1.00 36.05 C
+ATOM 3781 1HD1 ILE A 946 21.676 69.009 17.943 1.00 0.00 H
+ATOM 3782 2HD1 ILE A 946 21.054 69.229 19.597 1.00 0.00 H
+ATOM 3783 3HD1 ILE A 946 21.902 70.565 18.779 1.00 0.00 H
+ATOM 3784 N MET A 947 24.133 64.511 19.773 1.00 30.63 N
+ATOM 3785 H MET A 947 24.100 64.714 18.753 1.00 0.00 H
+ATOM 3786 CA MET A 947 24.071 63.145 20.255 1.00 32.85 C
+ATOM 3787 HA MET A 947 23.139 63.051 20.812 1.00 0.00 H
+ATOM 3788 C MET A 947 25.253 62.817 21.191 1.00 33.29 C
+ATOM 3789 O MET A 947 25.077 62.210 22.243 1.00 33.66 O
+ATOM 3790 CB MET A 947 24.083 62.158 19.092 1.00 33.36 C
+ATOM 3791 HB1 MET A 947 24.920 62.397 18.436 1.00 0.00 H
+ATOM 3792 HB2 MET A 947 24.208 61.150 19.487 1.00 0.00 H
+ATOM 3793 CG MET A 947 22.808 62.214 18.295 1.00 35.72 C
+ATOM 3794 HG1 MET A 947 22.632 63.240 17.972 1.00 0.00 H
+ATOM 3795 HG2 MET A 947 21.979 61.884 18.921 1.00 0.00 H
+ATOM 3796 SD MET A 947 22.918 61.141 16.837 1.00 41.93 S
+ATOM 3797 CE MET A 947 22.281 62.366 15.738 1.00 34.73 C
+ATOM 3798 HE1 MET A 947 21.280 62.654 16.058 1.00 0.00 H
+ATOM 3799 HE2 MET A 947 22.933 63.239 15.752 1.00 0.00 H
+ATOM 3800 HE3 MET A 947 22.238 61.959 14.728 1.00 0.00 H
+ATOM 3801 N VAL A 948 26.456 63.251 20.810 1.00 32.11 N
+ATOM 3802 H VAL A 948 26.529 63.912 20.010 1.00 0.00 H
+ATOM 3803 CA VAL A 948 27.632 62.832 21.470 1.00 29.62 C
+ATOM 3804 HA VAL A 948 27.697 61.754 21.616 1.00 0.00 H
+ATOM 3805 C VAL A 948 27.596 63.565 22.808 1.00 29.90 C
+ATOM 3806 O VAL A 948 28.004 63.008 23.828 1.00 29.23 O
+ATOM 3807 CB VAL A 948 28.901 63.245 20.592 1.00 30.04 C
+ATOM 3808 HB VAL A 948 28.661 64.197 20.118 1.00 0.00 H
+ATOM 3809 CG1 VAL A 948 30.169 63.547 21.434 1.00 24.52 C
+ATOM 3810 1HG1 VAL A 948 29.963 64.372 22.116 1.00 0.00 H
+ATOM 3811 2HG1 VAL A 948 30.443 62.661 22.006 1.00 0.00 H
+ATOM 3812 3HG1 VAL A 948 30.989 63.820 20.769 1.00 0.00 H
+ATOM 3813 CG2 VAL A 948 29.137 62.272 19.526 1.00 28.07 C
+ATOM 3814 1HG2 VAL A 948 29.318 61.291 19.965 1.00 0.00 H
+ATOM 3815 2HG2 VAL A 948 28.262 62.226 18.878 1.00 0.00 H
+ATOM 3816 3HG2 VAL A 948 30.006 62.577 18.943 1.00 0.00 H
+ATOM 3817 N LYS A 949 27.197 64.828 22.835 1.00 29.33 N
+ATOM 3818 H LYS A 949 26.956 65.340 21.963 1.00 0.00 H
+ATOM 3819 CA LYS A 949 27.112 65.463 24.131 1.00 29.72 C
+ATOM 3820 HA LYS A 949 28.113 65.503 24.559 1.00 0.00 H
+ATOM 3821 C LYS A 949 26.189 64.655 25.060 1.00 30.46 C
+ATOM 3822 O LYS A 949 26.448 64.589 26.266 1.00 30.57 O
+ATOM 3823 CB LYS A 949 26.581 66.829 23.994 1.00 29.79 C
+ATOM 3824 HB1 LYS A 949 25.714 66.800 23.335 1.00 0.00 H
+ATOM 3825 HB2 LYS A 949 26.276 67.184 24.978 1.00 0.00 H
+ATOM 3826 CG LYS A 949 27.596 67.806 23.419 1.00 35.52 C
+ATOM 3827 HG1 LYS A 949 28.467 67.858 24.072 1.00 0.00 H
+ATOM 3828 HG2 LYS A 949 27.906 67.474 22.428 1.00 0.00 H
+ATOM 3829 CD LYS A 949 26.943 69.180 23.321 1.00 40.46 C
+ATOM 3830 HD1 LYS A 949 25.949 69.070 22.887 1.00 0.00 H
+ATOM 3831 HD2 LYS A 949 26.857 69.604 24.321 1.00 0.00 H
+ATOM 3832 CE LYS A 949 27.754 70.114 22.460 1.00 41.69 C
+ATOM 3833 HE1 LYS A 949 28.293 69.548 21.700 1.00 0.00 H
+ATOM 3834 HE2 LYS A 949 28.466 70.665 23.075 1.00 0.00 H
+ATOM 3835 NZ LYS A 949 26.791 71.068 21.806 1.00 46.38 N
+ATOM 3836 HZ1 LYS A 949 26.113 70.532 21.227 1.00 0.00 H
+ATOM 3837 HZ2 LYS A 949 26.279 71.598 22.539 1.00 0.00 H
+ATOM 3838 HZ3 LYS A 949 27.318 71.730 21.202 1.00 0.00 H
+ATOM 3839 N CYS A 950 25.181 63.953 24.507 1.00 29.56 N
+ATOM 3840 H CYS A 950 25.086 63.907 23.472 1.00 0.00 H
+ATOM 3841 CA CYS A 950 24.219 63.255 25.361 1.00 31.17 C
+ATOM 3842 HA CYS A 950 23.902 63.978 26.113 1.00 0.00 H
+ATOM 3843 C CYS A 950 24.888 62.043 25.968 1.00 32.20 C
+ATOM 3844 O CYS A 950 24.251 61.341 26.750 1.00 33.22 O
+ATOM 3845 CB CYS A 950 22.944 62.774 24.619 1.00 30.58 C
+ATOM 3846 HB1 CYS A 950 22.396 62.104 25.281 1.00 0.00 H
+ATOM 3847 HB2 CYS A 950 23.253 62.229 23.727 1.00 0.00 H
+ATOM 3848 SG CYS A 950 21.839 64.094 24.115 1.00 29.02 S
+ATOM 3849 HG CYS A 950 22.505 64.948 23.260 1.00 0.00 H
+ATOM 3850 N TRP A 951 26.129 61.755 25.545 1.00 31.27 N
+ATOM 3851 H TRP A 951 26.644 62.470 24.992 1.00 0.00 H
+ATOM 3852 CA TRP A 951 26.782 60.494 25.824 1.00 29.33 C
+ATOM 3853 HA TRP A 951 26.126 59.902 26.462 1.00 0.00 H
+ATOM 3854 C TRP A 951 28.080 60.747 26.529 1.00 29.00 C
+ATOM 3855 O TRP A 951 28.938 59.907 26.499 1.00 29.97 O
+ATOM 3856 CB TRP A 951 27.025 59.715 24.566 1.00 28.03 C
+ATOM 3857 HB1 TRP A 951 27.621 60.334 23.895 1.00 0.00 H
+ATOM 3858 HB2 TRP A 951 27.588 58.819 24.827 1.00 0.00 H
+ATOM 3859 CG TRP A 951 25.791 59.290 23.831 1.00 32.34 C
+ATOM 3860 CD1 TRP A 951 24.538 59.053 24.370 1.00 29.93 C
+ATOM 3861 HD1 TRP A 951 24.260 59.193 25.415 1.00 0.00 H
+ATOM 3862 CD2 TRP A 951 25.667 58.987 22.392 1.00 28.94 C
+ATOM 3863 NE1 TRP A 951 23.693 58.607 23.362 1.00 27.45 N
+ATOM 3864 HE1 TRP A 951 22.704 58.318 23.502 1.00 0.00 H
+ATOM 3865 CE2 TRP A 951 24.345 58.602 22.160 1.00 26.49 C
+ATOM 3866 CE3 TRP A 951 26.535 59.093 21.296 1.00 26.89 C
+ATOM 3867 HE3 TRP A 951 27.558 59.441 21.441 1.00 0.00 H
+ATOM 3868 CZ2 TRP A 951 23.872 58.281 20.879 1.00 30.72 C
+ATOM 3869 HZ2 TRP A 951 22.835 57.987 20.717 1.00 0.00 H
+ATOM 3870 CZ3 TRP A 951 26.092 58.757 20.037 1.00 24.40 C
+ATOM 3871 HZ3 TRP A 951 26.780 58.808 19.193 1.00 0.00 H
+ATOM 3872 CH2 TRP A 951 24.770 58.351 19.828 1.00 28.11 C
+ATOM 3873 HH2 TRP A 951 24.442 58.086 18.823 1.00 0.00 H
+ATOM 3874 N MET A 952 28.222 61.905 27.126 1.00 29.79 N
+ATOM 3875 H MET A 952 27.480 62.626 27.022 1.00 0.00 H
+ATOM 3876 CA MET A 952 29.368 62.196 27.912 1.00 33.64 C
+ATOM 3877 HA MET A 952 30.266 62.075 27.306 1.00 0.00 H
+ATOM 3878 C MET A 952 29.302 61.292 29.128 1.00 35.57 C
+ATOM 3879 O MET A 952 28.237 61.160 29.711 1.00 38.00 O
+ATOM 3880 CB MET A 952 29.263 63.590 28.475 1.00 32.81 C
+ATOM 3881 HB1 MET A 952 28.293 63.688 28.962 1.00 0.00 H
+ATOM 3882 HB2 MET A 952 30.054 63.719 29.214 1.00 0.00 H
+ATOM 3883 CG MET A 952 29.386 64.652 27.488 1.00 40.33 C
+ATOM 3884 HG1 MET A 952 29.120 65.607 27.942 1.00 0.00 H
+ATOM 3885 HG2 MET A 952 28.719 64.452 26.649 1.00 0.00 H
+ATOM 3886 SD MET A 952 31.072 64.711 26.912 1.00 46.46 S
+ATOM 3887 CE MET A 952 31.554 66.104 27.981 1.00 47.15 C
+ATOM 3888 HE1 MET A 952 30.935 66.970 27.748 1.00 0.00 H
+ATOM 3889 HE2 MET A 952 31.412 65.825 29.025 1.00 0.00 H
+ATOM 3890 HE3 MET A 952 32.602 66.347 27.808 1.00 0.00 H
+ATOM 3891 N ILE A 953 30.423 60.777 29.602 1.00 36.67 N
+ATOM 3892 H ILE A 953 31.313 60.893 29.076 1.00 0.00 H
+ATOM 3893 CA ILE A 953 30.409 60.057 30.845 1.00 36.85 C
+ATOM 3894 HA ILE A 953 29.647 59.280 30.783 1.00 0.00 H
+ATOM 3895 C ILE A 953 30.045 60.990 32.003 1.00 37.91 C
+ATOM 3896 O ILE A 953 29.341 60.574 32.903 1.00 37.46 O
+ATOM 3897 CB ILE A 953 31.739 59.386 31.090 1.00 37.47 C
+ATOM 3898 HB ILE A 953 32.552 60.042 30.781 1.00 0.00 H
+ATOM 3899 CG1 ILE A 953 31.791 58.098 30.269 1.00 37.30 C
+ATOM 3900 1HG1 ILE A 953 31.161 57.351 30.751 1.00 0.00 H
+ATOM 3901 2HG1 ILE A 953 31.408 58.305 29.270 1.00 0.00 H
+ATOM 3902 CG2 ILE A 953 31.935 59.090 32.642 1.00 40.21 C
+ATOM 3903 1HG2 ILE A 953 31.903 60.028 33.196 1.00 0.00 H
+ATOM 3904 2HG2 ILE A 953 31.137 58.434 32.989 1.00 0.00 H
+ATOM 3905 3HG2 ILE A 953 32.899 58.606 32.799 1.00 0.00 H
+ATOM 3906 CD1 ILE A 953 33.146 57.561 30.149 1.00 36.43 C
+ATOM 3907 1HD1 ILE A 953 33.785 58.296 29.660 1.00 0.00 H
+ATOM 3908 2HD1 ILE A 953 33.538 57.341 31.142 1.00 0.00 H
+ATOM 3909 3HD1 ILE A 953 33.122 56.647 29.556 1.00 0.00 H
+ATOM 3910 N ASP A 954 30.502 62.236 32.016 1.00 37.51 N
+ATOM 3911 H ASP A 954 31.146 62.588 31.279 1.00 0.00 H
+ATOM 3912 CA ASP A 954 30.065 63.073 33.096 1.00 38.54 C
+ATOM 3913 HA ASP A 954 30.139 62.481 34.008 1.00 0.00 H
+ATOM 3914 C ASP A 954 28.569 63.502 32.914 1.00 39.45 C
+ATOM 3915 O ASP A 954 28.237 64.380 32.087 1.00 39.43 O
+ATOM 3916 CB ASP A 954 30.949 64.275 33.264 1.00 37.32 C
+ATOM 3917 HB1 ASP A 954 31.928 63.951 33.616 1.00 0.00 H
+ATOM 3918 HB2 ASP A 954 31.058 64.775 32.301 1.00 0.00 H
+ATOM 3919 CG ASP A 954 30.362 65.246 34.261 1.00 42.39 C
+ATOM 3920 OD1 ASP A 954 30.345 66.491 34.065 1.00 45.39 O
+ATOM 3921 OD2 ASP A 954 29.817 64.748 35.258 1.00 49.44 O
+ATOM 3922 N ALA A 955 27.671 62.870 33.664 1.00 39.78 N
+ATOM 3923 H ALA A 955 28.006 62.179 34.366 1.00 0.00 H
+ATOM 3924 CA ALA A 955 26.205 63.110 33.541 1.00 39.91 C
+ATOM 3925 HA ALA A 955 25.945 62.704 32.563 1.00 0.00 H
+ATOM 3926 C ALA A 955 25.785 64.591 33.539 1.00 39.79 C
+ATOM 3927 O ALA A 955 24.892 65.006 32.787 1.00 38.72 O
+ATOM 3928 CB ALA A 955 25.456 62.410 34.661 1.00 39.84 C
+ATOM 3929 HB1 ALA A 955 25.646 61.338 34.609 1.00 0.00 H
+ATOM 3930 HB2 ALA A 955 25.799 62.794 35.622 1.00 0.00 H
+ATOM 3931 HB3 ALA A 955 24.387 62.597 34.554 1.00 0.00 H
+ATOM 3932 N ASP A 956 26.374 65.374 34.428 1.00 40.12 N
+ATOM 3933 H ASP A 956 27.042 64.968 35.114 1.00 0.00 H
+ATOM 3934 CA ASP A 956 26.088 66.818 34.450 1.00 41.07 C
+ATOM 3935 HA ASP A 956 25.002 66.895 34.407 1.00 0.00 H
+ATOM 3936 C ASP A 956 26.660 67.579 33.251 1.00 39.69 C
+ATOM 3937 O ASP A 956 26.469 68.763 33.118 1.00 40.18 O
+ATOM 3938 CB ASP A 956 26.635 67.457 35.726 1.00 42.08 C
+ATOM 3939 HB1 ASP A 956 27.722 67.497 35.659 1.00 0.00 H
+ATOM 3940 HB2 ASP A 956 26.240 68.470 35.807 1.00 0.00 H
+ATOM 3941 CG ASP A 956 26.249 66.677 36.987 1.00 48.88 C
+ATOM 3942 OD1 ASP A 956 27.080 66.612 37.937 1.00 54.15 O
+ATOM 3943 OD2 ASP A 956 25.105 66.117 37.044 1.00 54.06 O
+ATOM 3944 N SER A 957 27.423 66.909 32.424 1.00 37.84 N
+ATOM 3945 H SER A 957 27.614 65.899 32.585 1.00 0.00 H
+ATOM 3946 CA SER A 957 27.987 67.579 31.304 1.00 37.42 C
+ATOM 3947 HA SER A 957 28.090 68.641 31.526 1.00 0.00 H
+ATOM 3948 C SER A 957 27.073 67.404 30.130 1.00 35.87 C
+ATOM 3949 O SER A 957 27.223 68.107 29.168 1.00 34.84 O
+ATOM 3950 CB SER A 957 29.397 67.044 30.996 1.00 36.45 C
+ATOM 3951 HB1 SER A 957 29.620 67.154 29.935 1.00 0.00 H
+ATOM 3952 HB2 SER A 957 29.472 65.993 31.274 1.00 0.00 H
+ATOM 3953 OG SER A 957 30.279 67.809 31.757 1.00 37.14 O
+ATOM 3954 HG SER A 957 30.060 67.705 32.717 1.00 0.00 H
+ATOM 3955 N ARG A 958 26.164 66.433 30.218 1.00 34.10 N
+ATOM 3956 H ARG A 958 26.145 65.839 31.071 1.00 0.00 H
+ATOM 3957 CA ARG A 958 25.193 66.175 29.155 1.00 33.37 C
+ATOM 3958 HA ARG A 958 25.718 66.121 28.201 1.00 0.00 H
+ATOM 3959 C ARG A 958 24.188 67.333 29.077 1.00 32.58 C
+ATOM 3960 O ARG A 958 24.000 68.038 30.021 1.00 32.97 O
+ATOM 3961 CB ARG A 958 24.521 64.849 29.338 1.00 31.59 C
+ATOM 3962 HB1 ARG A 958 23.710 64.939 30.061 1.00 0.00 H
+ATOM 3963 HB2 ARG A 958 24.121 64.500 28.386 1.00 0.00 H
+ATOM 3964 CG ARG A 958 25.505 63.931 29.820 1.00 33.78 C
+ATOM 3965 HG1 ARG A 958 26.485 64.246 29.461 1.00 0.00 H
+ATOM 3966 HG2 ARG A 958 25.496 63.947 30.910 1.00 0.00 H
+ATOM 3967 CD ARG A 958 25.255 62.565 29.368 1.00 35.10 C
+ATOM 3968 HD1 ARG A 958 26.201 62.060 29.173 1.00 0.00 H
+ATOM 3969 HD2 ARG A 958 24.658 62.579 28.456 1.00 0.00 H
+ATOM 3970 NE ARG A 958 24.551 61.891 30.394 1.00 39.35 N
+ATOM 3971 HE ARG A 958 23.618 62.275 30.647 1.00 0.00 H
+ATOM 3972 CZ ARG A 958 24.955 60.820 31.069 1.00 40.77 C
+ATOM 3973 NH1 ARG A 958 26.090 60.207 30.848 1.00 42.31 N
+ATOM 3974 1HH1 ARG A 958 26.733 60.555 30.108 1.00 0.00 H
+ATOM 3975 2HH1 ARG A 958 26.349 59.372 31.412 1.00 0.00 H
+ATOM 3976 NH2 ARG A 958 24.121 60.313 31.943 1.00 40.77 N
+ATOM 3977 1HH2 ARG A 958 23.187 60.749 32.084 1.00 0.00 H
+ATOM 3978 2HH2 ARG A 958 24.393 59.475 32.495 1.00 0.00 H
+ATOM 3979 N PRO A 959 23.644 67.602 27.904 1.00 31.70 N
+ATOM 3980 CA PRO A 959 22.702 68.720 27.855 1.00 31.79 C
+ATOM 3981 HA PRO A 959 23.159 69.636 28.230 1.00 0.00 H
+ATOM 3982 C PRO A 959 21.437 68.448 28.710 1.00 31.63 C
+ATOM 3983 O PRO A 959 21.075 67.305 28.953 1.00 31.64 O
+ATOM 3984 CB PRO A 959 22.270 68.761 26.395 1.00 31.42 C
+ATOM 3985 HB1 PRO A 959 21.187 68.663 26.319 1.00 0.00 H
+ATOM 3986 HB2 PRO A 959 22.582 69.699 25.936 1.00 0.00 H
+ATOM 3987 CG PRO A 959 22.921 67.643 25.742 1.00 32.18 C
+ATOM 3988 HG1 PRO A 959 22.154 66.961 25.374 1.00 0.00 H
+ATOM 3989 HG2 PRO A 959 23.502 68.022 24.901 1.00 0.00 H
+ATOM 3990 CD PRO A 959 23.821 66.899 26.636 1.00 30.67 C
+ATOM 3991 HD1 PRO A 959 24.854 66.955 26.293 1.00 0.00 H
+ATOM 3992 HD2 PRO A 959 23.523 65.854 26.718 1.00 0.00 H
+ATOM 3993 N LYS A 960 20.769 69.506 29.116 1.00 30.76 N
+ATOM 3994 H LYS A 960 21.207 70.447 29.053 1.00 0.00 H
+ATOM 3995 CA LYS A 960 19.444 69.373 29.644 1.00 31.25 C
+ATOM 3996 HA LYS A 960 19.427 68.436 30.200 1.00 0.00 H
+ATOM 3997 C LYS A 960 18.374 69.315 28.563 1.00 29.83 C
+ATOM 3998 O LYS A 960 18.496 69.974 27.509 1.00 30.34 O
+ATOM 3999 CB LYS A 960 19.130 70.574 30.523 1.00 31.93 C
+ATOM 4000 HB1 LYS A 960 18.935 71.428 29.874 1.00 0.00 H
+ATOM 4001 HB2 LYS A 960 18.234 70.347 31.101 1.00 0.00 H
+ATOM 4002 CG LYS A 960 20.233 70.959 31.492 1.00 33.47 C
+ATOM 4003 HG1 LYS A 960 21.186 70.947 30.964 1.00 0.00 H
+ATOM 4004 HG2 LYS A 960 20.039 71.964 31.866 1.00 0.00 H
+ATOM 4005 CD LYS A 960 20.310 70.019 32.651 1.00 43.65 C
+ATOM 4006 HD1 LYS A 960 19.838 69.074 32.381 1.00 0.00 H
+ATOM 4007 HD2 LYS A 960 21.355 69.843 32.904 1.00 0.00 H
+ATOM 4008 CE LYS A 960 19.578 70.628 33.881 1.00 52.27 C
+ATOM 4009 HE1 LYS A 960 19.795 71.696 33.896 1.00 0.00 H
+ATOM 4010 HE2 LYS A 960 19.993 70.161 34.774 1.00 0.00 H
+ATOM 4011 NZ LYS A 960 18.047 70.465 33.942 1.00 48.88 N
+ATOM 4012 HZ1 LYS A 960 17.618 70.919 33.110 1.00 0.00 H
+ATOM 4013 HZ2 LYS A 960 17.807 69.453 33.949 1.00 0.00 H
+ATOM 4014 HZ3 LYS A 960 17.686 70.914 34.808 1.00 0.00 H
+ATOM 4015 N PHE A 961 17.273 68.629 28.865 1.00 27.41 N
+ATOM 4016 H PHE A 961 17.216 68.129 29.775 1.00 0.00 H
+ATOM 4017 CA PHE A 961 16.140 68.567 27.937 1.00 25.03 C
+ATOM 4018 HA PHE A 961 16.476 68.025 27.053 1.00 0.00 H
+ATOM 4019 C PHE A 961 15.722 69.947 27.513 1.00 25.07 C
+ATOM 4020 O PHE A 961 15.380 70.150 26.368 1.00 25.23 O
+ATOM 4021 CB PHE A 961 14.966 67.782 28.509 1.00 23.93 C
+ATOM 4022 HB1 PHE A 961 14.793 68.115 29.533 1.00 0.00 H
+ATOM 4023 HB2 PHE A 961 14.083 67.992 27.906 1.00 0.00 H
+ATOM 4024 CG PHE A 961 15.192 66.299 28.522 1.00 22.32 C
+ATOM 4025 CD1 PHE A 961 15.410 65.599 27.317 1.00 19.62 C
+ATOM 4026 HD1 PHE A 961 15.396 66.148 26.375 1.00 0.00 H
+ATOM 4027 CD2 PHE A 961 15.214 65.596 29.720 1.00 18.99 C
+ATOM 4028 HD2 PHE A 961 15.047 66.127 30.657 1.00 0.00 H
+ATOM 4029 CE1 PHE A 961 15.647 64.198 27.296 1.00 20.68 C
+ATOM 4030 HE1 PHE A 961 15.781 63.676 26.348 1.00 0.00 H
+ATOM 4031 CE2 PHE A 961 15.452 64.189 29.743 1.00 18.09 C
+ATOM 4032 HE2 PHE A 961 15.442 63.643 30.686 1.00 0.00 H
+ATOM 4033 CZ PHE A 961 15.707 63.497 28.500 1.00 21.18 C
+ATOM 4034 HZ PHE A 961 15.945 62.433 28.504 1.00 0.00 H
+ATOM 4035 N ARG A 962 15.730 70.904 28.425 1.00 24.06 N
+ATOM 4036 H ARG A 962 16.069 70.729 29.393 1.00 0.00 H
+ATOM 4037 CA ARG A 962 15.253 72.186 28.023 1.00 25.87 C
+ATOM 4038 HA ARG A 962 14.278 72.067 27.550 1.00 0.00 H
+ATOM 4039 C ARG A 962 16.208 72.820 26.970 1.00 25.93 C
+ATOM 4040 O ARG A 962 15.785 73.659 26.145 1.00 23.97 O
+ATOM 4041 CB ARG A 962 15.071 73.088 29.235 1.00 26.32 C
+ATOM 4042 HB1 ARG A 962 14.557 73.993 28.912 1.00 0.00 H
+ATOM 4043 HB2 ARG A 962 14.453 72.561 29.962 1.00 0.00 H
+ATOM 4044 CG ARG A 962 16.351 73.490 29.910 1.00 28.24 C
+ATOM 4045 HG1 ARG A 962 16.800 72.610 30.371 1.00 0.00 H
+ATOM 4046 HG2 ARG A 962 17.033 73.896 29.163 1.00 0.00 H
+ATOM 4047 CD ARG A 962 16.106 74.550 30.991 1.00 35.12 C
+ATOM 4048 HD1 ARG A 962 17.040 74.749 31.516 1.00 0.00 H
+ATOM 4049 HD2 ARG A 962 15.366 74.176 31.698 1.00 0.00 H
+ATOM 4050 NE ARG A 962 15.607 75.815 30.385 1.00 42.67 N
+ATOM 4051 HE ARG A 962 14.602 76.032 30.539 1.00 0.00 H
+ATOM 4052 CZ ARG A 962 16.308 76.716 29.657 1.00 42.24 C
+ATOM 4053 NH1 ARG A 962 17.582 76.541 29.380 1.00 41.12 N
+ATOM 4054 1HH1 ARG A 962 18.077 75.693 29.723 1.00 0.00 H
+ATOM 4055 2HH1 ARG A 962 18.094 77.251 28.818 1.00 0.00 H
+ATOM 4056 NH2 ARG A 962 15.709 77.812 29.191 1.00 42.36 N
+ATOM 4057 1HH2 ARG A 962 14.701 77.977 29.386 1.00 0.00 H
+ATOM 4058 2HH2 ARG A 962 16.250 78.502 28.632 1.00 0.00 H
+ATOM 4059 N GLU A 963 17.478 72.415 27.028 1.00 24.89 N
+ATOM 4060 H GLU A 963 17.775 71.741 27.763 1.00 0.00 H
+ATOM 4061 CA GLU A 963 18.420 72.899 26.094 1.00 25.54 C
+ATOM 4062 HA GLU A 963 18.225 73.959 25.933 1.00 0.00 H
+ATOM 4063 C GLU A 963 18.261 72.128 24.780 1.00 25.05 C
+ATOM 4064 O GLU A 963 18.394 72.700 23.708 1.00 25.37 O
+ATOM 4065 CB GLU A 963 19.856 72.790 26.607 1.00 26.53 C
+ATOM 4066 HB1 GLU A 963 20.013 71.789 27.008 1.00 0.00 H
+ATOM 4067 HB2 GLU A 963 20.541 72.959 25.776 1.00 0.00 H
+ATOM 4068 CG GLU A 963 20.139 73.786 27.675 1.00 27.27 C
+ATOM 4069 HG1 GLU A 963 20.398 74.735 27.206 1.00 0.00 H
+ATOM 4070 HG2 GLU A 963 19.241 73.914 28.279 1.00 0.00 H
+ATOM 4071 CD GLU A 963 21.289 73.363 28.591 1.00 34.91 C
+ATOM 4072 OE1 GLU A 963 21.781 72.208 28.533 1.00 36.85 O
+ATOM 4073 OE2 GLU A 963 21.716 74.218 29.395 1.00 42.80 O
+ATOM 4074 N LEU A 964 17.941 70.854 24.861 1.00 23.87 N
+ATOM 4075 H LEU A 964 17.890 70.388 25.790 1.00 0.00 H
+ATOM 4076 CA LEU A 964 17.658 70.096 23.649 1.00 24.13 C
+ATOM 4077 HA LEU A 964 18.539 70.232 23.021 1.00 0.00 H
+ATOM 4078 C LEU A 964 16.483 70.618 22.853 1.00 24.04 C
+ATOM 4079 O LEU A 964 16.506 70.578 21.633 1.00 25.00 O
+ATOM 4080 CB LEU A 964 17.475 68.601 23.949 1.00 23.98 C
+ATOM 4081 HB1 LEU A 964 16.691 68.481 24.697 1.00 0.00 H
+ATOM 4082 HB2 LEU A 964 17.184 68.087 23.033 1.00 0.00 H
+ATOM 4083 CG LEU A 964 18.782 67.977 24.484 1.00 22.71 C
+ATOM 4084 HG LEU A 964 19.256 68.710 25.137 1.00 0.00 H
+ATOM 4085 CD1 LEU A 964 18.431 66.736 25.202 1.00 16.25 C
+ATOM 4086 1HD1 LEU A 964 17.760 66.973 26.027 1.00 0.00 H
+ATOM 4087 2HD1 LEU A 964 17.937 66.048 24.516 1.00 0.00 H
+ATOM 4088 3HD1 LEU A 964 19.338 66.274 25.591 1.00 0.00 H
+ATOM 4089 CD2 LEU A 964 19.809 67.656 23.384 1.00 18.65 C
+ATOM 4090 1HD2 LEU A 964 19.375 66.947 22.679 1.00 0.00 H
+ATOM 4091 2HD2 LEU A 964 20.077 68.573 22.860 1.00 0.00 H
+ATOM 4092 3HD2 LEU A 964 20.700 67.221 23.836 1.00 0.00 H
+ATOM 4093 N ILE A 965 15.491 71.169 23.520 1.00 24.32 N
+ATOM 4094 H ILE A 965 15.502 71.149 24.560 1.00 0.00 H
+ATOM 4095 CA ILE A 965 14.378 71.806 22.829 1.00 23.34 C
+ATOM 4096 HA ILE A 965 13.928 71.103 22.128 1.00 0.00 H
+ATOM 4097 C ILE A 965 14.871 72.978 22.043 1.00 24.07 C
+ATOM 4098 O ILE A 965 14.545 73.138 20.874 1.00 23.73 O
+ATOM 4099 CB ILE A 965 13.272 72.221 23.868 1.00 23.60 C
+ATOM 4100 HB ILE A 965 13.751 72.903 24.571 1.00 0.00 H
+ATOM 4101 CG1 ILE A 965 12.745 70.950 24.562 1.00 20.87 C
+ATOM 4102 1HG1 ILE A 965 12.171 70.366 23.843 1.00 0.00 H
+ATOM 4103 2HG1 ILE A 965 13.592 70.361 24.913 1.00 0.00 H
+ATOM 4104 CG2 ILE A 965 12.087 73.004 23.269 1.00 18.52 C
+ATOM 4105 1HG2 ILE A 965 12.454 73.924 22.814 1.00 0.00 H
+ATOM 4106 2HG2 ILE A 965 11.595 72.393 22.512 1.00 0.00 H
+ATOM 4107 3HG2 ILE A 965 11.377 73.246 24.059 1.00 0.00 H
+ATOM 4108 CD1 ILE A 965 11.877 71.281 25.716 1.00 23.22 C
+ATOM 4109 1HD1 ILE A 965 12.446 71.861 26.443 1.00 0.00 H
+ATOM 4110 2HD1 ILE A 965 11.024 71.865 25.371 1.00 0.00 H
+ATOM 4111 3HD1 ILE A 965 11.524 70.360 26.180 1.00 0.00 H
+ATOM 4112 N ILE A 966 15.677 73.803 22.676 1.00 24.15 N
+ATOM 4113 H ILE A 966 15.947 73.608 23.661 1.00 0.00 H
+ATOM 4114 CA ILE A 966 16.187 74.973 22.013 1.00 24.66 C
+ATOM 4115 HA ILE A 966 15.350 75.562 21.639 1.00 0.00 H
+ATOM 4116 C ILE A 966 17.058 74.574 20.798 1.00 26.28 C
+ATOM 4117 O ILE A 966 16.845 75.063 19.693 1.00 27.02 O
+ATOM 4118 CB ILE A 966 16.989 75.851 23.023 1.00 25.86 C
+ATOM 4119 HB ILE A 966 17.720 75.212 23.520 1.00 0.00 H
+ATOM 4120 CG1 ILE A 966 16.041 76.431 24.072 1.00 25.04 C
+ATOM 4121 1HG1 ILE A 966 15.490 77.262 23.631 1.00 0.00 H
+ATOM 4122 2HG1 ILE A 966 15.340 75.656 24.383 1.00 0.00 H
+ATOM 4123 CG2 ILE A 966 17.796 76.978 22.308 1.00 20.61 C
+ATOM 4124 1HG2 ILE A 966 18.503 76.530 21.610 1.00 0.00 H
+ATOM 4125 2HG2 ILE A 966 17.109 77.626 21.764 1.00 0.00 H
+ATOM 4126 3HG2 ILE A 966 18.338 77.563 23.051 1.00 0.00 H
+ATOM 4127 CD1 ILE A 966 16.784 76.922 25.268 1.00 21.41 C
+ATOM 4128 1HD1 ILE A 966 17.333 76.095 25.718 1.00 0.00 H
+ATOM 4129 2HD1 ILE A 966 17.483 77.702 24.965 1.00 0.00 H
+ATOM 4130 3HD1 ILE A 966 16.077 77.327 25.992 1.00 0.00 H
+ATOM 4131 N GLU A 967 18.013 73.682 20.979 1.00 26.16 N
+ATOM 4132 H GLU A 967 18.137 73.237 21.911 1.00 0.00 H
+ATOM 4133 CA GLU A 967 18.884 73.322 19.892 1.00 27.91 C
+ATOM 4134 HA GLU A 967 19.336 74.242 19.521 1.00 0.00 H
+ATOM 4135 C GLU A 967 18.116 72.719 18.712 1.00 27.73 C
+ATOM 4136 O GLU A 967 18.225 73.182 17.552 1.00 28.67 O
+ATOM 4137 CB GLU A 967 20.030 72.420 20.368 1.00 29.27 C
+ATOM 4138 HB1 GLU A 967 19.608 71.548 20.867 1.00 0.00 H
+ATOM 4139 HB2 GLU A 967 20.607 72.097 19.501 1.00 0.00 H
+ATOM 4140 CG GLU A 967 20.985 73.160 21.364 1.00 35.19 C
+ATOM 4141 HG1 GLU A 967 20.443 73.416 22.274 1.00 0.00 H
+ATOM 4142 HG2 GLU A 967 21.829 72.517 21.614 1.00 0.00 H
+ATOM 4143 CD GLU A 967 21.495 74.455 20.671 1.00 49.38 C
+ATOM 4144 OE1 GLU A 967 21.351 75.598 21.207 1.00 55.08 O
+ATOM 4145 OE2 GLU A 967 22.006 74.340 19.520 1.00 55.87 O
+ATOM 4146 N PHE A 968 17.278 71.744 18.971 1.00 26.11 N
+ATOM 4147 H PHE A 968 17.157 71.388 19.941 1.00 0.00 H
+ATOM 4148 CA PHE A 968 16.527 71.176 17.874 1.00 24.53 C
+ATOM 4149 HA PHE A 968 17.245 70.997 17.074 1.00 0.00 H
+ATOM 4150 C PHE A 968 15.511 72.117 17.249 1.00 25.66 C
+ATOM 4151 O PHE A 968 15.260 72.022 16.050 1.00 25.47 O
+ATOM 4152 CB PHE A 968 15.921 69.863 18.277 1.00 23.50 C
+ATOM 4153 HB1 PHE A 968 15.522 69.958 19.287 1.00 0.00 H
+ATOM 4154 HB2 PHE A 968 15.110 69.626 17.588 1.00 0.00 H
+ATOM 4155 CG PHE A 968 16.917 68.735 18.255 1.00 23.45 C
+ATOM 4156 CD1 PHE A 968 17.380 68.206 17.058 1.00 23.74 C
+ATOM 4157 HD1 PHE A 968 17.047 68.645 16.117 1.00 0.00 H
+ATOM 4158 CD2 PHE A 968 17.434 68.224 19.407 1.00 23.97 C
+ATOM 4159 HD2 PHE A 968 17.156 68.670 20.362 1.00 0.00 H
+ATOM 4160 CE1 PHE A 968 18.254 67.135 17.032 1.00 24.84 C
+ATOM 4161 HE1 PHE A 968 18.569 66.722 16.074 1.00 0.00 H
+ATOM 4162 CE2 PHE A 968 18.337 67.110 19.387 1.00 22.69 C
+ATOM 4163 HE2 PHE A 968 18.702 66.691 20.325 1.00 0.00 H
+ATOM 4164 CZ PHE A 968 18.737 66.577 18.213 1.00 22.00 C
+ATOM 4165 HZ PHE A 968 19.422 65.730 18.190 1.00 0.00 H
+ATOM 4166 N SER A 969 15.001 73.084 17.999 1.00 25.38 N
+ATOM 4167 H SER A 969 15.233 73.140 19.011 1.00 0.00 H
+ATOM 4168 CA SER A 969 14.112 74.068 17.394 1.00 26.44 C
+ATOM 4169 HA SER A 969 13.340 73.459 16.924 1.00 0.00 H
+ATOM 4170 C SER A 969 14.822 74.943 16.443 1.00 27.24 C
+ATOM 4171 O SER A 969 14.198 75.302 15.429 1.00 27.65 O
+ATOM 4172 CB SER A 969 13.533 75.058 18.415 1.00 25.49 C
+ATOM 4173 HB1 SER A 969 12.975 75.852 17.919 1.00 0.00 H
+ATOM 4174 HB2 SER A 969 14.321 75.497 19.027 1.00 0.00 H
+ATOM 4175 OG SER A 969 12.705 74.268 19.167 1.00 32.39 O
+ATOM 4176 HG SER A 969 13.234 73.547 19.591 1.00 0.00 H
+ATOM 4177 N LYS A 970 16.024 75.413 16.836 1.00 25.86 N
+ATOM 4178 H LYS A 970 16.385 75.155 17.777 1.00 0.00 H
+ATOM 4179 CA LYS A 970 16.827 76.269 15.982 1.00 26.88 C
+ATOM 4180 HA LYS A 970 16.309 77.220 15.858 1.00 0.00 H
+ATOM 4181 C LYS A 970 17.012 75.571 14.639 1.00 27.66 C
+ATOM 4182 O LYS A 970 16.779 76.171 13.608 1.00 27.73 O
+ATOM 4183 CB LYS A 970 18.181 76.572 16.592 1.00 26.33 C
+ATOM 4184 HB1 LYS A 970 18.560 75.671 17.075 1.00 0.00 H
+ATOM 4185 HB2 LYS A 970 18.866 76.873 15.799 1.00 0.00 H
+ATOM 4186 CG LYS A 970 18.103 77.684 17.621 1.00 28.38 C
+ATOM 4187 HG1 LYS A 970 17.496 78.498 17.225 1.00 0.00 H
+ATOM 4188 HG2 LYS A 970 17.644 77.300 18.532 1.00 0.00 H
+ATOM 4189 CD LYS A 970 19.473 78.198 17.938 1.00 30.94 C
+ATOM 4190 HD1 LYS A 970 20.162 77.813 17.186 1.00 0.00 H
+ATOM 4191 HD2 LYS A 970 19.448 79.286 17.883 1.00 0.00 H
+ATOM 4192 CE LYS A 970 19.978 77.821 19.253 1.00 35.80 C
+ATOM 4193 HE1 LYS A 970 20.442 76.838 19.179 1.00 0.00 H
+ATOM 4194 HE2 LYS A 970 19.139 77.774 19.948 1.00 0.00 H
+ATOM 4195 NZ LYS A 970 20.997 78.796 19.792 1.00 41.38 N
+ATOM 4196 HZ1 LYS A 970 21.808 78.843 19.142 1.00 0.00 H
+ATOM 4197 HZ2 LYS A 970 20.563 79.738 19.876 1.00 0.00 H
+ATOM 4198 HZ3 LYS A 970 21.320 78.477 20.728 1.00 0.00 H
+ATOM 4199 N MET A 971 17.271 74.270 14.687 1.00 28.63 N
+ATOM 4200 H MET A 971 17.258 73.795 15.612 1.00 0.00 H
+ATOM 4201 CA MET A 971 17.569 73.486 13.516 1.00 29.96 C
+ATOM 4202 HA MET A 971 18.246 74.051 12.875 1.00 0.00 H
+ATOM 4203 C MET A 971 16.298 73.218 12.712 1.00 30.78 C
+ATOM 4204 O MET A 971 16.335 73.200 11.485 1.00 29.61 O
+ATOM 4205 CB MET A 971 18.294 72.169 13.914 1.00 28.75 C
+ATOM 4206 HB1 MET A 971 17.732 71.700 14.722 1.00 0.00 H
+ATOM 4207 HB2 MET A 971 18.302 71.508 13.047 1.00 0.00 H
+ATOM 4208 CG MET A 971 19.729 72.361 14.380 1.00 28.81 C
+ATOM 4209 HG1 MET A 971 19.727 72.994 15.267 1.00 0.00 H
+ATOM 4210 HG2 MET A 971 20.292 72.853 13.586 1.00 0.00 H
+ATOM 4211 SD MET A 971 20.563 70.757 14.795 1.00 33.00 S
+ATOM 4212 CE MET A 971 19.463 70.029 15.989 1.00 33.43 C
+ATOM 4213 HE1 MET A 971 19.375 70.691 16.851 1.00 0.00 H
+ATOM 4214 HE2 MET A 971 18.481 69.886 15.537 1.00 0.00 H
+ATOM 4215 HE3 MET A 971 19.861 69.066 16.308 1.00 0.00 H
+ATOM 4216 N ALA A 972 15.183 73.005 13.411 1.00 31.83 N
+ATOM 4217 H ALA A 972 15.224 73.050 14.449 1.00 0.00 H
+ATOM 4218 CA ALA A 972 13.874 72.703 12.752 1.00 33.57 C
+ATOM 4219 HA ALA A 972 14.040 71.842 12.104 1.00 0.00 H
+ATOM 4220 C ALA A 972 13.415 73.908 11.955 1.00 35.03 C
+ATOM 4221 O ALA A 972 12.564 73.812 11.103 1.00 34.71 O
+ATOM 4222 CB ALA A 972 12.770 72.331 13.758 1.00 30.44 C
+ATOM 4223 HB1 ALA A 972 13.073 71.446 14.318 1.00 0.00 H
+ATOM 4224 HB2 ALA A 972 12.613 73.161 14.446 1.00 0.00 H
+ATOM 4225 HB3 ALA A 972 11.845 72.123 13.220 1.00 0.00 H
+ATOM 4226 N ARG A 973 13.995 75.049 12.251 1.00 36.40 N
+ATOM 4227 H ARG A 973 14.757 75.096 12.957 1.00 0.00 H
+ATOM 4228 CA ARG A 973 13.555 76.200 11.587 1.00 38.62 C
+ATOM 4229 HA ARG A 973 12.513 76.113 11.278 1.00 0.00 H
+ATOM 4230 C ARG A 973 14.323 76.357 10.280 1.00 37.41 C
+ATOM 4231 O ARG A 973 13.942 77.188 9.455 1.00 39.36 O
+ATOM 4232 CB ARG A 973 13.516 77.425 12.552 1.00 39.50 C
+ATOM 4233 HB1 ARG A 973 12.500 77.820 12.528 1.00 0.00 H
+ATOM 4234 HB2 ARG A 973 13.736 77.053 13.552 1.00 0.00 H
+ATOM 4235 CG ARG A 973 14.454 78.588 12.292 1.00 47.36 C
+ATOM 4236 HG1 ARG A 973 15.464 78.221 12.109 1.00 0.00 H
+ATOM 4237 HG2 ARG A 973 14.114 79.158 11.427 1.00 0.00 H
+ATOM 4238 CD ARG A 973 14.431 79.497 13.586 1.00 57.42 C
+ATOM 4239 HD1 ARG A 973 14.447 80.546 13.290 1.00 0.00 H
+ATOM 4240 HD2 ARG A 973 15.308 79.279 14.195 1.00 0.00 H
+ATOM 4241 NE ARG A 973 13.208 79.231 14.377 1.00 58.33 N
+ATOM 4242 HE ARG A 973 13.131 78.311 14.855 1.00 0.00 H
+ATOM 4243 CZ ARG A 973 12.187 80.102 14.519 1.00 65.54 C
+ATOM 4244 NH1 ARG A 973 12.265 81.319 13.932 1.00 66.90 N
+ATOM 4245 1HH1 ARG A 973 13.106 81.576 13.377 1.00 0.00 H
+ATOM 4246 2HH1 ARG A 973 11.483 81.997 14.035 1.00 0.00 H
+ATOM 4247 NH2 ARG A 973 11.080 79.782 15.249 1.00 60.23 N
+ATOM 4248 1HH2 ARG A 973 11.011 78.852 15.709 1.00 0.00 H
+ATOM 4249 2HH2 ARG A 973 10.305 80.468 15.346 1.00 0.00 H
+ATOM 4250 N ASP A 974 15.359 75.545 10.063 1.00 35.54 N
+ATOM 4251 H ASP A 974 15.720 74.970 10.851 1.00 0.00 H
+ATOM 4252 CA ASP A 974 16.015 75.433 8.735 1.00 33.71 C
+ATOM 4253 HA ASP A 974 15.217 75.677 8.033 1.00 0.00 H
+ATOM 4254 C ASP A 974 16.533 74.020 8.446 1.00 31.44 C
+ATOM 4255 O ASP A 974 17.725 73.759 8.341 1.00 31.39 O
+ATOM 4256 CB ASP A 974 17.157 76.426 8.522 1.00 33.15 C
+ATOM 4257 HB1 ASP A 974 16.828 77.420 8.824 1.00 0.00 H
+ATOM 4258 HB2 ASP A 974 18.010 76.127 9.131 1.00 0.00 H
+ATOM 4259 CG ASP A 974 17.589 76.461 7.006 1.00 38.54 C
+ATOM 4260 OD1 ASP A 974 18.579 77.135 6.602 1.00 42.77 O
+ATOM 4261 OD2 ASP A 974 16.925 75.772 6.175 1.00 43.44 O
+ATOM 4262 N PRO A 975 15.622 73.107 8.259 1.00 30.01 N
+ATOM 4263 CA PRO A 975 15.944 71.679 8.357 1.00 28.72 C
+ATOM 4264 HA PRO A 975 16.413 71.502 9.325 1.00 0.00 H
+ATOM 4265 C PRO A 975 17.004 71.128 7.444 1.00 28.59 C
+ATOM 4266 O PRO A 975 17.744 70.236 7.864 1.00 29.33 O
+ATOM 4267 CB PRO A 975 14.602 70.977 8.150 1.00 27.66 C
+ATOM 4268 HB1 PRO A 975 14.633 70.353 7.257 1.00 0.00 H
+ATOM 4269 HB2 PRO A 975 14.359 70.359 9.015 1.00 0.00 H
+ATOM 4270 CG PRO A 975 13.580 72.080 7.987 1.00 29.29 C
+ATOM 4271 HG1 PRO A 975 13.023 71.913 7.065 1.00 0.00 H
+ATOM 4272 HG2 PRO A 975 12.894 72.055 8.834 1.00 0.00 H
+ATOM 4273 CD PRO A 975 14.213 73.398 7.928 1.00 29.06 C
+ATOM 4274 HD1 PRO A 975 13.772 74.078 8.657 1.00 0.00 H
+ATOM 4275 HD2 PRO A 975 14.126 73.830 6.931 1.00 0.00 H
+ATOM 4276 N GLN A 976 17.076 71.616 6.217 1.00 29.24 N
+ATOM 4277 H GLN A 976 16.440 72.395 5.954 1.00 0.00 H
+ATOM 4278 CA GLN A 976 18.011 71.108 5.214 1.00 30.72 C
+ATOM 4279 HA GLN A 976 18.015 70.020 5.273 1.00 0.00 H
+ATOM 4280 C GLN A 976 19.379 71.625 5.482 1.00 30.26 C
+ATOM 4281 O GLN A 976 20.334 71.114 4.945 1.00 31.34 O
+ATOM 4282 CB GLN A 976 17.582 71.521 3.827 1.00 31.41 C
+ATOM 4283 HB1 GLN A 976 17.558 72.608 3.755 1.00 0.00 H
+ATOM 4284 HB2 GLN A 976 18.281 71.125 3.090 1.00 0.00 H
+ATOM 4285 CG GLN A 976 16.207 70.962 3.580 1.00 39.87 C
+ATOM 4286 HG1 GLN A 976 16.184 69.927 3.921 1.00 0.00 H
+ATOM 4287 HG2 GLN A 976 15.484 71.547 4.149 1.00 0.00 H
+ATOM 4288 CD GLN A 976 15.822 70.999 2.133 1.00 47.53 C
+ATOM 4289 OE1 GLN A 976 15.177 71.944 1.659 1.00 53.19 O
+ATOM 4290 NE2 GLN A 976 16.249 69.995 1.408 1.00 53.82 N
+ATOM 4291 1HE2 GLN A 976 16.050 69.969 0.388 1.00 0.00 H
+ATOM 4292 2HE2 GLN A 976 16.787 69.224 1.853 1.00 0.00 H
+ATOM 4293 N ARG A 977 19.502 72.622 6.350 1.00 28.70 N
+ATOM 4294 H ARG A 977 18.677 73.148 6.703 1.00 0.00 H
+ATOM 4295 CA ARG A 977 20.822 72.931 6.770 1.00 28.84 C
+ATOM 4296 HA ARG A 977 21.462 72.978 5.889 1.00 0.00 H
+ATOM 4297 C ARG A 977 21.382 71.833 7.677 1.00 28.10 C
+ATOM 4298 O ARG A 977 22.578 71.683 7.753 1.00 30.45 O
+ATOM 4299 CB ARG A 977 20.862 74.303 7.450 1.00 29.66 C
+ATOM 4300 HB1 ARG A 977 20.008 74.891 7.112 1.00 0.00 H
+ATOM 4301 HB2 ARG A 977 20.802 74.165 8.530 1.00 0.00 H
+ATOM 4302 CG ARG A 977 22.082 75.020 7.134 1.00 32.86 C
+ATOM 4303 HG1 ARG A 977 22.776 74.319 6.671 1.00 0.00 H
+ATOM 4304 HG2 ARG A 977 21.836 75.809 6.423 1.00 0.00 H
+ATOM 4305 CD ARG A 977 22.766 75.646 8.301 1.00 35.21 C
+ATOM 4306 HD1 ARG A 977 23.827 75.772 8.087 1.00 0.00 H
+ATOM 4307 HD2 ARG A 977 22.647 75.018 9.184 1.00 0.00 H
+ATOM 4308 NE ARG A 977 22.164 76.908 8.521 1.00 40.52 N
+ATOM 4309 HE ARG A 977 21.207 77.059 8.142 1.00 0.00 H
+ATOM 4310 CZ ARG A 977 22.732 77.914 9.177 1.00 43.37 C
+ATOM 4311 NH1 ARG A 977 23.955 77.823 9.699 1.00 39.21 N
+ATOM 4312 1HH1 ARG A 977 24.499 76.942 9.599 1.00 0.00 H
+ATOM 4313 2HH1 ARG A 977 24.366 78.633 10.206 1.00 0.00 H
+ATOM 4314 NH2 ARG A 977 22.031 79.024 9.310 1.00 44.94 N
+ATOM 4315 1HH2 ARG A 977 21.074 79.086 8.909 1.00 0.00 H
+ATOM 4316 2HH2 ARG A 977 22.436 79.837 9.816 1.00 0.00 H
+ATOM 4317 N TYR A 978 20.562 71.017 8.343 1.00 25.70 N
+ATOM 4318 H TYR A 978 19.549 70.977 8.111 1.00 0.00 H
+ATOM 4319 CA TYR A 978 21.127 70.169 9.420 1.00 23.54 C
+ATOM 4320 HA TYR A 978 22.200 70.357 9.455 1.00 0.00 H
+ATOM 4321 C TYR A 978 20.999 68.703 9.161 1.00 23.63 C
+ATOM 4322 O TYR A 978 21.722 67.934 9.750 1.00 21.42 O
+ATOM 4323 CB TYR A 978 20.470 70.563 10.774 1.00 22.39 C
+ATOM 4324 HB1 TYR A 978 19.391 70.428 10.704 1.00 0.00 H
+ATOM 4325 HB2 TYR A 978 20.864 69.925 11.565 1.00 0.00 H
+ATOM 4326 CG TYR A 978 20.777 72.025 11.103 1.00 23.85 C
+ATOM 4327 CD1 TYR A 978 19.876 73.057 10.798 1.00 24.69 C
+ATOM 4328 HD1 TYR A 978 18.917 72.817 10.340 1.00 0.00 H
+ATOM 4329 CD2 TYR A 978 22.026 72.372 11.596 1.00 24.11 C
+ATOM 4330 HD2 TYR A 978 22.748 71.581 11.802 1.00 0.00 H
+ATOM 4331 CE1 TYR A 978 20.188 74.358 11.069 1.00 24.63 C
+ATOM 4332 HE1 TYR A 978 19.462 75.151 10.891 1.00 0.00 H
+ATOM 4333 CE2 TYR A 978 22.382 73.659 11.831 1.00 27.31 C
+ATOM 4334 HE2 TYR A 978 23.375 73.901 12.210 1.00 0.00 H
+ATOM 4335 CZ TYR A 978 21.462 74.656 11.581 1.00 30.22 C
+ATOM 4336 OH TYR A 978 21.873 75.947 11.909 1.00 36.22 O
+ATOM 4337 HH TYR A 978 22.683 76.176 11.388 1.00 0.00 H
+ATOM 4338 N LEU A 979 20.054 68.314 8.292 1.00 24.44 N
+ATOM 4339 H LEU A 979 19.359 69.005 7.945 1.00 0.00 H
+ATOM 4340 CA LEU A 979 19.991 66.939 7.831 1.00 26.87 C
+ATOM 4341 HA LEU A 979 20.898 66.461 8.200 1.00 0.00 H
+ATOM 4342 C LEU A 979 19.985 66.854 6.305 1.00 28.31 C
+ATOM 4343 O LEU A 979 19.243 67.570 5.645 1.00 29.47 O
+ATOM 4344 CB LEU A 979 18.791 66.158 8.423 1.00 26.57 C
+ATOM 4345 HB1 LEU A 979 17.881 66.605 8.022 1.00 0.00 H
+ATOM 4346 HB2 LEU A 979 18.870 65.127 8.078 1.00 0.00 H
+ATOM 4347 CG LEU A 979 18.651 66.121 9.939 1.00 26.62 C
+ATOM 4348 HG LEU A 979 18.857 67.115 10.336 1.00 0.00 H
+ATOM 4349 CD1 LEU A 979 17.231 65.742 10.291 1.00 25.98 C
+ATOM 4350 1HD1 LEU A 979 16.546 66.480 9.875 1.00 0.00 H
+ATOM 4351 2HD1 LEU A 979 17.005 64.760 9.876 1.00 0.00 H
+ATOM 4352 3HD1 LEU A 979 17.122 65.713 11.375 1.00 0.00 H
+ATOM 4353 CD2 LEU A 979 19.689 65.213 10.606 1.00 24.66 C
+ATOM 4354 1HD2 LEU A 979 19.572 64.195 10.234 1.00 0.00 H
+ATOM 4355 2HD2 LEU A 979 20.690 65.574 10.371 1.00 0.00 H
+ATOM 4356 3HD2 LEU A 979 19.541 65.226 11.686 1.00 0.00 H
+ATOM 4357 N VAL A 980 20.805 65.982 5.762 1.00 29.04 N
+ATOM 4358 H VAL A 980 21.337 65.317 6.359 1.00 0.00 H
+ATOM 4359 CA VAL A 980 20.956 65.960 4.345 1.00 31.65 C
+ATOM 4360 HA VAL A 980 20.404 66.793 3.909 1.00 0.00 H
+ATOM 4361 C VAL A 980 20.412 64.660 3.837 1.00 33.18 C
+ATOM 4362 O VAL A 980 21.060 63.613 3.984 1.00 30.91 O
+ATOM 4363 CB VAL A 980 22.476 66.148 3.914 1.00 33.18 C
+ATOM 4364 HB VAL A 980 23.051 65.301 4.289 1.00 0.00 H
+ATOM 4365 CG1 VAL A 980 22.603 66.178 2.359 1.00 29.05 C
+ATOM 4366 1HG1 VAL A 980 22.231 65.240 1.947 1.00 0.00 H
+ATOM 4367 2HG1 VAL A 980 22.017 67.008 1.964 1.00 0.00 H
+ATOM 4368 3HG1 VAL A 980 23.650 66.307 2.084 1.00 0.00 H
+ATOM 4369 CG2 VAL A 980 23.044 67.433 4.522 1.00 29.75 C
+ATOM 4370 1HG2 VAL A 980 22.465 68.287 4.170 1.00 0.00 H
+ATOM 4371 2HG2 VAL A 980 22.986 67.376 5.609 1.00 0.00 H
+ATOM 4372 3HG2 VAL A 980 24.085 67.548 4.218 1.00 0.00 H
+ATOM 4373 N ILE A 981 19.202 64.753 3.269 1.00 35.84 N
+ATOM 4374 H ILE A 981 18.822 65.699 3.063 1.00 0.00 H
+ATOM 4375 CA ILE A 981 18.394 63.591 2.927 1.00 38.07 C
+ATOM 4376 HA ILE A 981 18.973 62.690 3.128 1.00 0.00 H
+ATOM 4377 C ILE A 981 17.993 63.746 1.457 1.00 42.16 C
+ATOM 4378 O ILE A 981 17.409 64.786 1.068 1.00 41.55 O
+ATOM 4379 CB ILE A 981 17.072 63.529 3.761 1.00 38.39 C
+ATOM 4380 HB ILE A 981 16.569 64.492 3.670 1.00 0.00 H
+ATOM 4381 CG1 ILE A 981 17.328 63.390 5.288 1.00 35.98 C
+ATOM 4382 1HG1 ILE A 981 17.914 62.487 5.455 1.00 0.00 H
+ATOM 4383 2HG1 ILE A 981 17.898 64.258 5.619 1.00 0.00 H
+ATOM 4384 CG2 ILE A 981 16.068 62.449 3.154 1.00 33.84 C
+ATOM 4385 1HG2 ILE A 981 15.823 62.719 2.127 1.00 0.00 H
+ATOM 4386 2HG2 ILE A 981 16.540 61.467 3.170 1.00 0.00 H
+ATOM 4387 3HG2 ILE A 981 15.157 62.425 3.752 1.00 0.00 H
+ATOM 4388 CD1 ILE A 981 16.071 63.301 6.123 1.00 30.25 C
+ATOM 4389 1HD1 ILE A 981 15.476 64.203 5.979 1.00 0.00 H
+ATOM 4390 2HD1 ILE A 981 15.493 62.430 5.815 1.00 0.00 H
+ATOM 4391 3HD1 ILE A 981 16.341 63.206 7.175 1.00 0.00 H
+ATOM 4392 N GLN A 982 18.287 62.706 0.663 1.00 46.01 N
+ATOM 4393 H GLN A 982 18.702 61.855 1.094 1.00 0.00 H
+ATOM 4394 CA GLN A 982 18.051 62.711 -0.786 1.00 50.41 C
+ATOM 4395 HA GLN A 982 18.589 63.553 -1.222 1.00 0.00 H
+ATOM 4396 C GLN A 982 16.573 62.807 -1.065 1.00 50.90 C
+ATOM 4397 O GLN A 982 15.826 61.962 -0.619 1.00 51.58 O
+ATOM 4398 CB GLN A 982 18.509 61.375 -1.367 1.00 52.25 C
+ATOM 4399 HB1 GLN A 982 17.716 60.645 -1.202 1.00 0.00 H
+ATOM 4400 HB2 GLN A 982 18.662 61.507 -2.438 1.00 0.00 H
+ATOM 4401 CG GLN A 982 19.789 60.821 -0.774 1.00 59.12 C
+ATOM 4402 HG1 GLN A 982 20.281 61.597 -0.187 1.00 0.00 H
+ATOM 4403 HG2 GLN A 982 19.552 59.975 -0.129 1.00 0.00 H
+ATOM 4404 CD GLN A 982 20.734 60.356 -1.899 1.00 69.77 C
+ATOM 4405 OE1 GLN A 982 20.581 60.786 -3.073 1.00 70.74 O
+ATOM 4406 NE2 GLN A 982 21.721 59.481 -1.557 1.00 71.47 N
+ATOM 4407 1HE2 GLN A 982 22.387 59.141 -2.279 1.00 0.00 H
+ATOM 4408 2HE2 GLN A 982 21.808 59.154 -0.574 1.00 0.00 H
+ATOM 4409 N GLY A 983 16.147 63.833 -1.772 1.00 52.23 N
+ATOM 4410 H GLY A 983 16.821 64.562 -2.082 1.00 0.00 H
+ATOM 4411 CA GLY A 983 14.748 63.952 -2.120 1.00 55.01 C
+ATOM 4412 HA1 GLY A 983 14.684 64.529 -3.042 1.00 0.00 H
+ATOM 4413 HA2 GLY A 983 14.364 62.947 -2.294 1.00 0.00 H
+ATOM 4414 C GLY A 983 13.848 64.618 -1.097 1.00 57.18 C
+ATOM 4415 O GLY A 983 12.622 64.430 -1.098 1.00 57.48 O
+ATOM 4416 N ASP A 984 14.460 65.413 -0.231 1.00 59.37 N
+ATOM 4417 H ASP A 984 15.473 65.601 -0.370 1.00 0.00 H
+ATOM 4418 CA ASP A 984 13.794 66.038 0.904 1.00 60.74 C
+ATOM 4419 HA ASP A 984 13.342 65.229 1.478 1.00 0.00 H
+ATOM 4420 C ASP A 984 12.620 66.979 0.539 1.00 63.41 C
+ATOM 4421 O ASP A 984 11.484 66.757 0.988 1.00 63.59 O
+ATOM 4422 CB ASP A 984 14.832 66.802 1.714 1.00 59.78 C
+ATOM 4423 HB1 ASP A 984 15.794 66.299 1.613 1.00 0.00 H
+ATOM 4424 HB2 ASP A 984 14.910 67.814 1.317 1.00 0.00 H
+ATOM 4425 CG ASP A 984 14.481 66.881 3.166 1.00 54.69 C
+ATOM 4426 OD1 ASP A 984 13.323 66.718 3.515 1.00 50.29 O
+ATOM 4427 OD2 ASP A 984 15.372 67.123 3.967 1.00 52.04 O
+ATOM 4428 N GLU A 985 12.870 68.027 -0.250 1.00 66.51 N
+ATOM 4429 H GLU A 985 13.831 68.185 -0.615 1.00 0.00 H
+ATOM 4430 CA GLU A 985 11.767 68.976 -0.611 1.00 69.92 C
+ATOM 4431 HA GLU A 985 11.406 69.352 0.346 1.00 0.00 H
+ATOM 4432 C GLU A 985 10.474 68.321 -1.266 1.00 72.16 C
+ATOM 4433 O GLU A 985 9.406 68.970 -1.275 1.00 72.56 O
+ATOM 4434 CB GLU A 985 12.303 70.155 -1.453 1.00 69.40 C
+ATOM 4435 HB1 GLU A 985 13.056 70.696 -0.880 1.00 0.00 H
+ATOM 4436 HB2 GLU A 985 12.749 69.771 -2.371 1.00 0.00 H
+ATOM 4437 N ARG A 986 10.586 67.052 -1.750 1.00 74.34 N
+ATOM 4438 H ARG A 986 11.507 66.586 -1.624 1.00 0.00 H
+ATOM 4439 CA ARG A 986 9.514 66.251 -2.450 1.00 76.40 C
+ATOM 4440 HA ARG A 986 8.808 67.023 -2.756 1.00 0.00 H
+ATOM 4441 C ARG A 986 8.642 65.269 -1.581 1.00 77.70 C
+ATOM 4442 O ARG A 986 7.714 64.647 -2.105 1.00 78.28 O
+ATOM 4443 CB ARG A 986 10.106 65.484 -3.670 1.00 76.03 C
+ATOM 4444 HB1 ARG A 986 10.530 66.198 -4.376 1.00 0.00 H
+ATOM 4445 HB2 ARG A 986 10.886 64.804 -3.327 1.00 0.00 H
+ATOM 4446 N MET A 987 8.926 65.162 -0.268 1.00 79.17 N
+ATOM 4447 H MET A 987 9.609 65.838 0.129 1.00 0.00 H
+ATOM 4448 CA MET A 987 8.339 64.149 0.668 1.00 79.26 C
+ATOM 4449 HA MET A 987 7.937 63.351 0.044 1.00 0.00 H
+ATOM 4450 C MET A 987 7.152 64.678 1.526 1.00 79.88 C
+ATOM 4451 O MET A 987 7.346 65.593 2.343 1.00 80.19 O
+ATOM 4452 CB MET A 987 9.452 63.647 1.619 1.00 78.70 C
+ATOM 4453 HB1 MET A 987 10.020 64.512 1.961 1.00 0.00 H
+ATOM 4454 HB2 MET A 987 8.975 63.167 2.473 1.00 0.00 H
+ATOM 4455 CG MET A 987 10.426 62.657 1.006 1.00 77.87 C
+ATOM 4456 HG1 MET A 987 10.663 62.976 -0.009 1.00 0.00 H
+ATOM 4457 HG2 MET A 987 9.959 61.673 0.976 1.00 0.00 H
+ATOM 4458 SD MET A 987 11.953 62.552 1.959 1.00 74.22 S
+ATOM 4459 CE MET A 987 12.936 61.375 1.011 1.00 75.17 C
+ATOM 4460 HE1 MET A 987 12.408 60.423 0.956 1.00 0.00 H
+ATOM 4461 HE2 MET A 987 13.094 61.763 0.005 1.00 0.00 H
+ATOM 4462 HE3 MET A 987 13.899 61.230 1.501 1.00 0.00 H
+ATOM 4463 N HIS A 988 5.946 64.102 1.357 1.00 80.50 N
+ATOM 4464 H HIS A 988 5.819 63.442 0.563 1.00 0.00 H
+ATOM 4465 CA HIS A 988 4.769 64.369 2.266 1.00 80.69 C
+ATOM 4466 HA HIS A 988 5.203 64.944 3.084 1.00 0.00 H
+ATOM 4467 C HIS A 988 4.143 63.095 2.909 1.00 80.82 C
+ATOM 4468 O HIS A 988 3.997 62.038 2.256 1.00 81.10 O
+ATOM 4469 CB HIS A 988 3.672 65.230 1.593 1.00 80.03 C
+ATOM 4470 HB1 HIS A 988 4.094 66.192 1.303 1.00 0.00 H
+ATOM 4471 HB2 HIS A 988 3.299 64.714 0.708 1.00 0.00 H
+ATOM 4472 N LEU A 989 3.788 63.209 4.194 1.00 80.74 N
+ATOM 4473 H LEU A 989 3.988 64.105 4.683 1.00 0.00 H
+ATOM 4474 CA LEU A 989 3.134 62.139 4.946 1.00 79.53 C
+ATOM 4475 HA LEU A 989 3.023 61.250 4.326 1.00 0.00 H
+ATOM 4476 C LEU A 989 1.728 62.608 5.367 1.00 79.44 C
+ATOM 4477 O LEU A 989 0.755 61.836 5.312 1.00 79.21 O
+ATOM 4478 CB LEU A 989 3.997 61.750 6.152 1.00 78.63 C
+ATOM 4479 HB1 LEU A 989 3.979 62.596 6.838 1.00 0.00 H
+ATOM 4480 HB2 LEU A 989 3.514 60.893 6.621 1.00 0.00 H
+ATOM 4481 CG LEU A 989 5.474 61.373 5.951 1.00 77.04 C
+ATOM 4482 HG LEU A 989 5.828 61.946 5.094 1.00 0.00 H
+ATOM 4483 CD1 LEU A 989 6.300 61.749 7.176 1.00 73.28 C
+ATOM 4484 1HD1 LEU A 989 6.231 62.824 7.343 1.00 0.00 H
+ATOM 4485 2HD1 LEU A 989 5.917 61.219 8.048 1.00 0.00 H
+ATOM 4486 3HD1 LEU A 989 7.341 61.472 7.010 1.00 0.00 H
+ATOM 4487 CD2 LEU A 989 5.665 59.900 5.609 1.00 75.67 C
+ATOM 4488 1HD2 LEU A 989 5.271 59.286 6.419 1.00 0.00 H
+ATOM 4489 2HD2 LEU A 989 5.133 59.671 4.686 1.00 0.00 H
+ATOM 4490 3HD2 LEU A 989 6.727 59.693 5.479 1.00 0.00 H
+ATOM 4491 N GLU A1005 -17.433 54.204 10.485 1.00 76.69 N
+ATOM 4492 HN1 GLU A1005 -16.798 53.492 10.071 1.00 0.00 H
+ATOM 4493 HN2 GLU A1005 -17.044 55.155 10.322 1.00 0.00 H
+ATOM 4494 HN3 GLU A1005 -17.524 54.036 11.507 1.00 0.00 H
+ATOM 4495 CA GLU A1005 -18.772 54.102 9.846 1.00 76.80 C
+ATOM 4496 HA GLU A1005 -18.674 54.357 8.791 1.00 0.00 H
+ATOM 4497 C GLU A1005 -19.778 55.158 10.435 1.00 75.85 C
+ATOM 4498 O GLU A1005 -19.845 56.295 9.907 1.00 75.94 O
+ATOM 4499 CB GLU A1005 -19.296 52.645 9.889 1.00 77.14 C
+ATOM 4500 HB1 GLU A1005 -19.849 52.504 10.818 1.00 0.00 H
+ATOM 4501 HB2 GLU A1005 -19.966 52.494 9.042 1.00 0.00 H
+ATOM 4502 CG GLU A1005 -18.164 51.576 9.821 1.00 77.72 C
+ATOM 4503 HG1 GLU A1005 -18.597 50.641 9.465 1.00 0.00 H
+ATOM 4504 HG2 GLU A1005 -17.411 51.920 9.111 1.00 0.00 H
+ATOM 4505 CD GLU A1005 -17.463 51.301 11.179 1.00 77.46 C
+ATOM 4506 OE1 GLU A1005 -16.336 50.744 11.164 1.00 75.77 O
+ATOM 4507 OE2 GLU A1005 -18.041 51.628 12.248 1.00 76.99 O
+ATOM 4508 N ASP A1006 -20.523 54.809 11.509 1.00 74.24 N
+ATOM 4509 H ASP A1006 -20.589 53.805 11.772 1.00 0.00 H
+ATOM 4510 CA ASP A1006 -21.256 55.823 12.331 1.00 72.16 C
+ATOM 4511 HA ASP A1006 -21.835 56.509 11.713 1.00 0.00 H
+ATOM 4512 C ASP A1006 -20.148 56.599 13.111 1.00 69.96 C
+ATOM 4513 O ASP A1006 -19.503 56.052 14.015 1.00 70.20 O
+ATOM 4514 CB ASP A1006 -22.342 55.178 13.243 1.00 71.95 C
+ATOM 4515 HB1 ASP A1006 -23.071 54.656 12.624 1.00 0.00 H
+ATOM 4516 HB2 ASP A1006 -21.869 54.471 13.924 1.00 0.00 H
+ATOM 4517 N MET A1007 -19.915 57.853 12.715 1.00 67.00 N
+ATOM 4518 H MET A1007 -20.686 58.388 12.267 1.00 0.00 H
+ATOM 4519 CA MET A1007 -18.613 58.503 12.889 1.00 63.98 C
+ATOM 4520 HA MET A1007 -18.160 58.054 13.773 1.00 0.00 H
+ATOM 4521 C MET A1007 -18.698 59.999 13.150 1.00 60.50 C
+ATOM 4522 O MET A1007 -17.687 60.641 13.368 1.00 60.10 O
+ATOM 4523 CB MET A1007 -17.766 58.272 11.623 1.00 65.09 C
+ATOM 4524 HB1 MET A1007 -18.243 57.477 11.049 1.00 0.00 H
+ATOM 4525 HB2 MET A1007 -17.782 59.196 11.044 1.00 0.00 H
+ATOM 4526 CG MET A1007 -16.269 57.871 11.829 1.00 68.58 C
+ATOM 4527 HG1 MET A1007 -15.753 58.795 12.091 1.00 0.00 H
+ATOM 4528 HG2 MET A1007 -15.922 57.527 10.855 1.00 0.00 H
+ATOM 4529 SD MET A1007 -15.664 56.592 13.057 1.00 79.01 S
+ATOM 4530 CE MET A1007 -17.050 55.580 13.662 1.00 77.87 C
+ATOM 4531 HE1 MET A1007 -17.781 56.223 14.152 1.00 0.00 H
+ATOM 4532 HE2 MET A1007 -17.519 55.069 12.821 1.00 0.00 H
+ATOM 4533 HE3 MET A1007 -16.677 54.844 14.374 1.00 0.00 H
+ATOM 4534 N ASP A1008 -19.903 60.552 13.155 1.00 56.66 N
+ATOM 4535 H ASP A1008 -20.736 59.954 12.982 1.00 0.00 H
+ATOM 4536 CA ASP A1008 -20.091 61.983 13.398 1.00 52.71 C
+ATOM 4537 HA ASP A1008 -19.482 62.494 12.653 1.00 0.00 H
+ATOM 4538 C ASP A1008 -19.619 62.442 14.781 1.00 49.61 C
+ATOM 4539 O ASP A1008 -19.122 63.564 14.946 1.00 48.32 O
+ATOM 4540 CB ASP A1008 -21.573 62.337 13.267 1.00 53.07 C
+ATOM 4541 HB1 ASP A1008 -22.163 61.491 13.619 1.00 0.00 H
+ATOM 4542 HB2 ASP A1008 -21.777 63.206 13.893 1.00 0.00 H
+ATOM 4543 CG ASP A1008 -22.002 62.665 11.817 1.00 54.84 C
+ATOM 4544 OD1 ASP A1008 -23.092 63.307 11.686 1.00 59.24 O
+ATOM 4545 OD2 ASP A1008 -21.310 62.291 10.832 1.00 51.48 O
+ATOM 4546 N ASP A1009 -19.829 61.583 15.768 1.00 45.07 N
+ATOM 4547 H ASP A1009 -20.195 60.636 15.541 1.00 0.00 H
+ATOM 4548 CA ASP A1009 -19.567 61.917 17.150 1.00 42.49 C
+ATOM 4549 HA ASP A1009 -19.654 63.000 17.243 1.00 0.00 H
+ATOM 4550 C ASP A1009 -18.147 61.532 17.579 1.00 38.87 C
+ATOM 4551 O ASP A1009 -17.864 61.496 18.769 1.00 36.53 O
+ATOM 4552 CB ASP A1009 -20.610 61.234 18.078 1.00 42.98 C
+ATOM 4553 HB1 ASP A1009 -20.545 60.155 17.941 1.00 0.00 H
+ATOM 4554 HB2 ASP A1009 -20.372 61.483 19.112 1.00 0.00 H
+ATOM 4555 CG ASP A1009 -22.053 61.681 17.784 1.00 47.50 C
+ATOM 4556 OD1 ASP A1009 -22.315 62.775 17.185 1.00 47.38 O
+ATOM 4557 OD2 ASP A1009 -22.960 60.902 18.156 1.00 54.45 O
+ATOM 4558 N VAL A1010 -17.296 61.193 16.617 1.00 34.86 N
+ATOM 4559 H VAL A1010 -17.612 61.163 15.627 1.00 0.00 H
+ATOM 4560 CA VAL A1010 -15.955 60.872 16.946 1.00 34.46 C
+ATOM 4561 HA VAL A1010 -15.992 60.193 17.798 1.00 0.00 H
+ATOM 4562 C VAL A1010 -15.169 62.079 17.417 1.00 33.21 C
+ATOM 4563 O VAL A1010 -15.248 63.134 16.846 1.00 34.23 O
+ATOM 4564 CB VAL A1010 -15.279 60.134 15.853 1.00 35.26 C
+ATOM 4565 HB VAL A1010 -15.414 60.677 14.917 1.00 0.00 H
+ATOM 4566 CG1 VAL A1010 -13.789 59.978 16.127 1.00 35.22 C
+ATOM 4567 1HG1 VAL A1010 -13.332 60.964 16.214 1.00 0.00 H
+ATOM 4568 2HG1 VAL A1010 -13.648 59.427 17.057 1.00 0.00 H
+ATOM 4569 3HG1 VAL A1010 -13.325 59.432 15.305 1.00 0.00 H
+ATOM 4570 CG2 VAL A1010 -15.864 58.759 15.834 1.00 36.52 C
+ATOM 4571 1HG2 VAL A1010 -15.686 58.277 16.795 1.00 0.00 H
+ATOM 4572 2HG2 VAL A1010 -16.937 58.824 15.652 1.00 0.00 H
+ATOM 4573 3HG2 VAL A1010 -15.394 58.177 15.041 1.00 0.00 H
+ATOM 4574 N VAL A1011 -14.475 61.925 18.527 1.00 31.70 N
+ATOM 4575 H VAL A1011 -14.461 60.993 18.988 1.00 0.00 H
+ATOM 4576 CA VAL A1011 -13.729 63.017 19.126 1.00 31.21 C
+ATOM 4577 HA VAL A1011 -13.553 63.829 18.420 1.00 0.00 H
+ATOM 4578 C VAL A1011 -12.436 62.402 19.600 1.00 29.46 C
+ATOM 4579 O VAL A1011 -12.426 61.328 20.220 1.00 28.77 O
+ATOM 4580 CB VAL A1011 -14.529 63.633 20.327 1.00 32.18 C
+ATOM 4581 HB VAL A1011 -14.794 62.824 21.007 1.00 0.00 H
+ATOM 4582 CG1 VAL A1011 -13.674 64.655 21.165 1.00 31.19 C
+ATOM 4583 1HG1 VAL A1011 -12.799 64.148 21.571 1.00 0.00 H
+ATOM 4584 2HG1 VAL A1011 -13.355 65.474 20.520 1.00 0.00 H
+ATOM 4585 3HG1 VAL A1011 -14.279 65.049 21.982 1.00 0.00 H
+ATOM 4586 CG2 VAL A1011 -15.734 64.280 19.808 1.00 31.60 C
+ATOM 4587 1HG2 VAL A1011 -15.450 65.067 19.110 1.00 0.00 H
+ATOM 4588 2HG2 VAL A1011 -16.349 63.541 19.294 1.00 0.00 H
+ATOM 4589 3HG2 VAL A1011 -16.298 64.712 20.635 1.00 0.00 H
+ATOM 4590 N ASP A1012 -11.332 63.065 19.319 1.00 28.88 N
+ATOM 4591 H ASP A1012 -11.374 63.959 18.790 1.00 0.00 H
+ATOM 4592 CA ASP A1012 -10.029 62.516 19.769 1.00 28.55 C
+ATOM 4593 HA ASP A1012 -9.960 61.438 19.620 1.00 0.00 H
+ATOM 4594 C ASP A1012 -9.902 62.780 21.282 1.00 27.11 C
+ATOM 4595 O ASP A1012 -10.450 63.738 21.794 1.00 25.11 O
+ATOM 4596 CB ASP A1012 -8.889 63.131 18.918 1.00 29.45 C
+ATOM 4597 HB1 ASP A1012 -9.073 62.898 17.869 1.00 0.00 H
+ATOM 4598 HB2 ASP A1012 -8.897 64.212 19.055 1.00 0.00 H
+ATOM 4599 CG ASP A1012 -7.485 62.594 19.305 1.00 34.38 C
+ATOM 4600 OD1 ASP A1012 -6.959 61.672 18.592 1.00 38.80 O
+ATOM 4601 OD2 ASP A1012 -6.894 63.126 20.286 1.00 33.74 O
+ATOM 4602 N ALA A1013 -9.229 61.888 21.995 1.00 27.08 N
+ATOM 4603 H ALA A1013 -8.832 61.061 21.505 1.00 0.00 H
+ATOM 4604 CA ALA A1013 -9.015 62.012 23.452 1.00 26.57 C
+ATOM 4605 HA ALA A1013 -9.979 61.894 23.946 1.00 0.00 H
+ATOM 4606 C ALA A1013 -8.469 63.398 23.841 1.00 27.04 C
+ATOM 4607 O ALA A1013 -8.754 63.871 24.927 1.00 27.68 O
+ATOM 4608 CB ALA A1013 -8.058 60.934 23.907 1.00 25.36 C
+ATOM 4609 HB1 ALA A1013 -8.481 59.955 23.681 1.00 0.00 H
+ATOM 4610 HB2 ALA A1013 -7.108 61.050 23.386 1.00 0.00 H
+ATOM 4611 HB3 ALA A1013 -7.898 61.022 24.982 1.00 0.00 H
+ATOM 4612 N ASP A1014 -7.689 64.028 22.972 1.00 26.50 N
+ATOM 4613 H ASP A1014 -7.523 63.607 22.036 1.00 0.00 H
+ATOM 4614 CA ASP A1014 -7.065 65.292 23.305 1.00 28.99 C
+ATOM 4615 HA ASP A1014 -6.572 65.140 24.265 1.00 0.00 H
+ATOM 4616 C ASP A1014 -8.080 66.380 23.422 1.00 30.68 C
+ATOM 4617 O ASP A1014 -7.809 67.421 24.010 1.00 31.55 O
+ATOM 4618 CB ASP A1014 -6.004 65.714 22.271 1.00 27.62 C
+ATOM 4619 HB1 ASP A1014 -6.440 65.642 21.275 1.00 0.00 H
+ATOM 4620 HB2 ASP A1014 -5.717 66.747 22.467 1.00 0.00 H
+ATOM 4621 CG ASP A1014 -4.753 64.841 22.321 1.00 29.28 C
+ATOM 4622 OD1 ASP A1014 -4.317 64.469 23.429 1.00 38.61 O
+ATOM 4623 OD2 ASP A1014 -4.188 64.466 21.280 1.00 27.74 O
+ATOM 4624 N GLU A1015 -9.238 66.148 22.811 1.00 32.35 N
+ATOM 4625 H GLU A1015 -9.367 65.248 22.307 1.00 0.00 H
+ATOM 4626 CA GLU A1015 -10.325 67.104 22.823 1.00 32.81 C
+ATOM 4627 HA GLU A1015 -9.916 68.080 23.082 1.00 0.00 H
+ATOM 4628 C GLU A1015 -11.351 66.676 23.845 1.00 33.47 C
+ATOM 4629 O GLU A1015 -12.364 67.369 24.025 1.00 34.14 O
+ATOM 4630 CB GLU A1015 -10.989 67.227 21.448 1.00 32.12 C
+ATOM 4631 HB1 GLU A1015 -10.985 66.238 20.989 1.00 0.00 H
+ATOM 4632 HB2 GLU A1015 -12.018 67.550 21.605 1.00 0.00 H
+ATOM 4633 CG GLU A1015 -10.337 68.208 20.453 1.00 31.36 C
+ATOM 4634 HG1 GLU A1015 -11.014 68.339 19.609 1.00 0.00 H
+ATOM 4635 HG2 GLU A1015 -10.198 69.164 20.957 1.00 0.00 H
+ATOM 4636 CD GLU A1015 -9.008 67.758 19.924 1.00 36.64 C
+ATOM 4637 OE1 GLU A1015 -7.993 68.477 20.184 1.00 39.63 O
+ATOM 4638 OE2 GLU A1015 -8.937 66.684 19.259 1.00 37.11 O
+ATOM 4639 N TYR A1016 -11.116 65.551 24.506 1.00 33.01 N
+ATOM 4640 H TYR A1016 -10.273 64.981 24.293 1.00 0.00 H
+ATOM 4641 CA TYR A1016 -12.036 65.133 25.515 1.00 35.02 C
+ATOM 4642 HA TYR A1016 -12.938 65.737 25.419 1.00 0.00 H
+ATOM 4643 C TYR A1016 -11.491 65.367 26.935 1.00 37.14 C
+ATOM 4644 O TYR A1016 -10.810 64.548 27.479 1.00 37.04 O
+ATOM 4645 CB TYR A1016 -12.362 63.694 25.316 1.00 34.31 C
+ATOM 4646 HB1 TYR A1016 -12.749 63.558 24.306 1.00 0.00 H
+ATOM 4647 HB2 TYR A1016 -11.451 63.107 25.437 1.00 0.00 H
+ATOM 4648 CG TYR A1016 -13.378 63.209 26.289 1.00 37.20 C
+ATOM 4649 CD1 TYR A1016 -12.993 62.485 27.423 1.00 40.30 C
+ATOM 4650 HD1 TYR A1016 -11.939 62.256 27.582 1.00 0.00 H
+ATOM 4651 CD2 TYR A1016 -14.714 63.522 26.126 1.00 36.96 C
+ATOM 4652 HD2 TYR A1016 -15.025 64.110 25.262 1.00 0.00 H
+ATOM 4653 CE1 TYR A1016 -13.934 62.053 28.350 1.00 43.65 C
+ATOM 4654 HE1 TYR A1016 -13.633 61.478 29.226 1.00 0.00 H
+ATOM 4655 CE2 TYR A1016 -15.650 63.108 27.027 1.00 42.12 C
+ATOM 4656 HE2 TYR A1016 -16.701 63.356 26.879 1.00 0.00 H
+ATOM 4657 CZ TYR A1016 -15.256 62.370 28.133 1.00 45.04 C
+ATOM 4658 OH TYR A1016 -16.213 61.955 29.024 1.00 51.37 O
+ATOM 4659 HH TYR A1016 -16.676 62.745 29.401 1.00 0.00 H
+ATOM 4660 N LEU A1017 -11.832 66.490 27.525 1.00 40.34 N
+ATOM 4661 H LEU A1017 -12.527 67.104 27.054 1.00 0.00 H
+ATOM 4662 CA LEU A1017 -11.278 66.924 28.823 1.00 44.47 C
+ATOM 4663 HA LEU A1017 -10.398 66.335 29.081 1.00 0.00 H
+ATOM 4664 C LEU A1017 -12.345 66.747 29.862 1.00 47.25 C
+ATOM 4665 O LEU A1017 -13.424 67.247 29.723 1.00 48.68 O
+ATOM 4666 CB LEU A1017 -10.876 68.398 28.738 1.00 42.25 C
+ATOM 4667 HB1 LEU A1017 -11.635 68.939 28.173 1.00 0.00 H
+ATOM 4668 HB2 LEU A1017 -10.817 68.806 29.747 1.00 0.00 H
+ATOM 4669 CG LEU A1017 -9.517 68.581 28.047 1.00 45.25 C
+ATOM 4670 HG LEU A1017 -8.996 67.625 28.111 1.00 0.00 H
+ATOM 4671 CD1 LEU A1017 -9.582 68.886 26.544 1.00 43.56 C
+ATOM 4672 1HD1 LEU A1017 -10.084 68.066 26.030 1.00 0.00 H
+ATOM 4673 2HD1 LEU A1017 -10.138 69.810 26.386 1.00 0.00 H
+ATOM 4674 3HD1 LEU A1017 -8.571 68.997 26.153 1.00 0.00 H
+ATOM 4675 CD2 LEU A1017 -8.798 69.675 28.753 1.00 45.50 C
+ATOM 4676 1HD2 LEU A1017 -9.383 70.592 28.691 1.00 0.00 H
+ATOM 4677 2HD2 LEU A1017 -8.660 69.401 29.799 1.00 0.00 H
+ATOM 4678 3HD2 LEU A1017 -7.826 69.830 28.285 1.00 0.00 H
+ATOM 4679 N ILE A1018 -12.101 66.014 30.911 1.00 52.24 N
+ATOM 4680 H ILE A1018 -11.199 65.510 31.030 1.00 0.00 H
+ATOM 4681 CA ILE A1018 -13.170 65.938 31.916 1.00 56.91 C
+ATOM 4682 HA ILE A1018 -13.936 66.685 31.708 1.00 0.00 H
+ATOM 4683 C ILE A1018 -12.546 66.266 33.280 1.00 58.95 C
+ATOM 4684 O ILE A1018 -11.599 67.101 33.389 1.00 59.42 O
+ATOM 4685 CB ILE A1018 -14.074 64.586 31.839 1.00 56.15 C
+ATOM 4686 HB ILE A1018 -14.506 64.471 30.845 1.00 0.00 H
+ATOM 4687 CG1 ILE A1018 -15.299 64.699 32.778 1.00 56.98 C
+ATOM 4688 1HG1 ILE A1018 -14.987 64.395 33.777 1.00 0.00 H
+ATOM 4689 2HG1 ILE A1018 -15.613 65.743 32.799 1.00 0.00 H
+ATOM 4690 CG2 ILE A1018 -13.180 63.306 32.014 1.00 56.23 C
+ATOM 4691 1HG2 ILE A1018 -12.433 63.275 31.221 1.00 0.00 H
+ATOM 4692 2HG2 ILE A1018 -12.682 63.342 32.983 1.00 0.00 H
+ATOM 4693 3HG2 ILE A1018 -13.807 62.416 31.959 1.00 0.00 H
+ATOM 4694 CD1 ILE A1018 -16.530 63.833 32.372 1.00 58.21 C
+ATOM 4695 1HD1 ILE A1018 -16.871 64.130 31.380 1.00 0.00 H
+ATOM 4696 2HD1 ILE A1018 -16.244 62.781 32.359 1.00 0.00 H
+ATOM 4697 3HD1 ILE A1018 -17.333 63.984 33.094 1.00 0.00 H
+TER
+ATOM 4698 N GLU B 697 23.532 79.091 5.274 1.00 48.38 N
+ATOM 4699 HN1 GLU B 697 23.480 80.130 5.273 1.00 0.00 H
+ATOM 4700 HN2 GLU B 697 22.589 78.696 5.466 1.00 0.00 H
+ATOM 4701 HN3 GLU B 697 24.197 78.777 6.009 1.00 0.00 H
+ATOM 4702 CA GLU B 697 24.015 78.608 3.916 1.00 49.94 C
+ATOM 4703 HA GLU B 697 23.242 78.875 3.195 1.00 0.00 H
+ATOM 4704 C GLU B 697 24.130 76.999 3.814 1.00 49.19 C
+ATOM 4705 O GLU B 697 23.151 76.275 4.228 1.00 48.79 O
+ATOM 4706 CB GLU B 697 25.343 79.365 3.466 1.00 49.54 C
+ATOM 4707 HB1 GLU B 697 25.146 80.435 3.402 1.00 0.00 H
+ATOM 4708 HB2 GLU B 697 26.130 79.182 4.198 1.00 0.00 H
+ATOM 4709 N ALA B 698 25.276 76.462 3.292 1.00 46.84 N
+ATOM 4710 H ALA B 698 26.046 77.102 3.010 1.00 0.00 H
+ATOM 4711 CA ALA B 698 25.463 74.972 3.110 1.00 44.99 C
+ATOM 4712 HA ALA B 698 24.591 74.684 2.523 1.00 0.00 H
+ATOM 4713 C ALA B 698 25.421 74.163 4.431 1.00 43.18 C
+ATOM 4714 O ALA B 698 25.689 74.691 5.503 1.00 43.12 O
+ATOM 4715 CB ALA B 698 26.748 74.588 2.283 1.00 44.42 C
+ATOM 4716 HB1 ALA B 698 26.684 75.030 1.289 1.00 0.00 H
+ATOM 4717 HB2 ALA B 698 27.634 74.966 2.794 1.00 0.00 H
+ATOM 4718 HB3 ALA B 698 26.812 73.503 2.196 1.00 0.00 H
+ATOM 4719 N PRO B 699 25.009 72.888 4.346 1.00 41.61 N
+ATOM 4720 CA PRO B 699 25.099 71.936 5.473 1.00 39.28 C
+ATOM 4721 HA PRO B 699 24.657 72.336 6.386 1.00 0.00 H
+ATOM 4722 C PRO B 699 26.569 71.588 5.811 1.00 38.95 C
+ATOM 4723 O PRO B 699 27.373 71.296 4.931 1.00 38.09 O
+ATOM 4724 CB PRO B 699 24.416 70.694 4.921 1.00 39.03 C
+ATOM 4725 HB1 PRO B 699 25.155 69.953 4.618 1.00 0.00 H
+ATOM 4726 HB2 PRO B 699 23.751 70.259 5.667 1.00 0.00 H
+ATOM 4727 CG PRO B 699 23.610 71.189 3.697 1.00 38.60 C
+ATOM 4728 HG1 PRO B 699 23.534 70.396 2.953 1.00 0.00 H
+ATOM 4729 HG2 PRO B 699 22.610 71.494 4.005 1.00 0.00 H
+ATOM 4730 CD PRO B 699 24.326 72.316 3.151 1.00 39.59 C
+ATOM 4731 HD1 PRO B 699 23.641 73.038 2.707 1.00 0.00 H
+ATOM 4732 HD2 PRO B 699 25.050 71.995 2.401 1.00 0.00 H
+ATOM 4733 N ASN B 700 26.907 71.617 7.095 1.00 37.16 N
+ATOM 4734 H ASN B 700 26.237 71.975 7.805 1.00 0.00 H
+ATOM 4735 CA ASN B 700 28.204 71.150 7.495 1.00 34.75 C
+ATOM 4736 HA ASN B 700 28.907 71.355 6.687 1.00 0.00 H
+ATOM 4737 C ASN B 700 28.303 69.626 7.641 1.00 35.51 C
+ATOM 4738 O ASN B 700 27.945 69.001 8.639 1.00 35.67 O
+ATOM 4739 CB ASN B 700 28.652 71.921 8.717 1.00 32.77 C
+ATOM 4740 HB1 ASN B 700 28.603 72.988 8.497 1.00 0.00 H
+ATOM 4741 HB2 ASN B 700 27.980 71.690 9.544 1.00 0.00 H
+ATOM 4742 CG ASN B 700 29.998 71.588 9.105 1.00 29.17 C
+ATOM 4743 OD1 ASN B 700 30.622 70.672 8.543 1.00 26.74 O
+ATOM 4744 ND2 ASN B 700 30.483 72.281 10.114 1.00 26.64 N
+ATOM 4745 1HD2 ASN B 700 31.434 72.072 10.479 1.00 0.00 H
+ATOM 4746 2HD2 ASN B 700 29.915 73.038 10.546 1.00 0.00 H
+ATOM 4747 N GLN B 701 28.843 69.013 6.622 1.00 36.95 N
+ATOM 4748 H GLN B 701 29.191 69.559 5.808 1.00 0.00 H
+ATOM 4749 CA GLN B 701 28.953 67.591 6.631 1.00 37.29 C
+ATOM 4750 HA GLN B 701 28.272 67.238 7.405 1.00 0.00 H
+ATOM 4751 C GLN B 701 30.296 67.031 7.062 1.00 36.31 C
+ATOM 4752 O GLN B 701 30.572 65.858 6.798 1.00 38.21 O
+ATOM 4753 CB GLN B 701 28.564 67.073 5.263 1.00 37.19 C
+ATOM 4754 HB1 GLN B 701 28.960 67.740 4.497 1.00 0.00 H
+ATOM 4755 HB2 GLN B 701 28.979 66.075 5.123 1.00 0.00 H
+ATOM 4756 CG GLN B 701 27.081 67.013 5.147 1.00 41.98 C
+ATOM 4757 HG1 GLN B 701 26.684 66.522 6.035 1.00 0.00 H
+ATOM 4758 HG2 GLN B 701 26.697 68.032 5.095 1.00 0.00 H
+ATOM 4759 CD GLN B 701 26.596 66.246 3.909 1.00 44.96 C
+ATOM 4760 OE1 GLN B 701 26.517 66.853 2.849 1.00 46.20 O
+ATOM 4761 NE2 GLN B 701 26.230 64.925 4.053 1.00 43.73 N
+ATOM 4762 1HE2 GLN B 701 25.865 64.394 3.236 1.00 0.00 H
+ATOM 4763 2HE2 GLN B 701 26.318 64.459 4.978 1.00 0.00 H
+ATOM 4764 N ALA B 702 31.122 67.809 7.739 1.00 34.33 N
+ATOM 4765 H ALA B 702 30.936 68.827 7.837 1.00 0.00 H
+ATOM 4766 CA ALA B 702 32.316 67.195 8.352 1.00 32.81 C
+ATOM 4767 HA ALA B 702 32.987 66.892 7.548 1.00 0.00 H
+ATOM 4768 C ALA B 702 31.924 65.936 9.175 1.00 33.25 C
+ATOM 4769 O ALA B 702 30.796 65.817 9.726 1.00 31.89 O
+ATOM 4770 CB ALA B 702 33.044 68.189 9.233 1.00 31.22 C
+ATOM 4771 HB1 ALA B 702 33.358 69.043 8.633 1.00 0.00 H
+ATOM 4772 HB2 ALA B 702 32.377 68.526 10.026 1.00 0.00 H
+ATOM 4773 HB3 ALA B 702 33.919 67.710 9.672 1.00 0.00 H
+ATOM 4774 N LEU B 703 32.861 65.008 9.242 1.00 32.65 N
+ATOM 4775 H LEU B 703 33.716 65.100 8.657 1.00 0.00 H
+ATOM 4776 CA LEU B 703 32.719 63.891 10.098 1.00 33.66 C
+ATOM 4777 HA LEU B 703 31.656 63.740 10.284 1.00 0.00 H
+ATOM 4778 C LEU B 703 33.386 64.121 11.440 1.00 34.05 C
+ATOM 4779 O LEU B 703 34.447 64.724 11.511 1.00 34.00 O
+ATOM 4780 CB LEU B 703 33.301 62.672 9.432 1.00 34.06 C
+ATOM 4781 HB1 LEU B 703 34.362 62.839 9.249 1.00 0.00 H
+ATOM 4782 HB2 LEU B 703 33.179 61.813 10.092 1.00 0.00 H
+ATOM 4783 CG LEU B 703 32.606 62.382 8.104 1.00 38.73 C
+ATOM 4784 HG LEU B 703 32.810 63.195 7.407 1.00 0.00 H
+ATOM 4785 CD1 LEU B 703 33.185 61.059 7.513 1.00 36.43 C
+ATOM 4786 1HD1 LEU B 703 34.257 61.173 7.353 1.00 0.00 H
+ATOM 4787 2HD1 LEU B 703 33.005 60.241 8.211 1.00 0.00 H
+ATOM 4788 3HD1 LEU B 703 32.695 60.842 6.564 1.00 0.00 H
+ATOM 4789 CD2 LEU B 703 31.020 62.353 8.245 1.00 37.95 C
+ATOM 4790 1HD2 LEU B 703 30.734 61.576 8.953 1.00 0.00 H
+ATOM 4791 2HD2 LEU B 703 30.671 63.321 8.605 1.00 0.00 H
+ATOM 4792 3HD2 LEU B 703 30.574 62.143 7.273 1.00 0.00 H
+ATOM 4793 N LEU B 704 32.767 63.702 12.543 1.00 34.16 N
+ATOM 4794 H LEU B 704 31.791 63.343 12.519 1.00 0.00 H
+ATOM 4795 CA LEU B 704 33.522 63.772 13.777 1.00 34.00 C
+ATOM 4796 HA LEU B 704 34.433 64.356 13.646 1.00 0.00 H
+ATOM 4797 C LEU B 704 33.877 62.361 14.166 1.00 34.39 C
+ATOM 4798 O LEU B 704 33.017 61.548 14.264 1.00 35.80 O
+ATOM 4799 CB LEU B 704 32.734 64.460 14.835 1.00 33.14 C
+ATOM 4800 HB1 LEU B 704 32.535 65.475 14.492 1.00 0.00 H
+ATOM 4801 HB2 LEU B 704 31.791 63.924 14.947 1.00 0.00 H
+ATOM 4802 CG LEU B 704 33.382 64.555 16.218 1.00 36.70 C
+ATOM 4803 HG LEU B 704 33.836 63.587 16.428 1.00 0.00 H
+ATOM 4804 CD1 LEU B 704 34.495 65.600 16.259 1.00 34.64 C
+ATOM 4805 1HD1 LEU B 704 35.268 65.334 15.538 1.00 0.00 H
+ATOM 4806 2HD1 LEU B 704 34.083 66.578 16.008 1.00 0.00 H
+ATOM 4807 3HD1 LEU B 704 34.925 65.632 17.260 1.00 0.00 H
+ATOM 4808 CD2 LEU B 704 32.340 64.847 17.279 1.00 37.45 C
+ATOM 4809 1HD2 LEU B 704 31.849 65.794 17.054 1.00 0.00 H
+ATOM 4810 2HD2 LEU B 704 31.600 64.046 17.290 1.00 0.00 H
+ATOM 4811 3HD2 LEU B 704 32.824 64.910 18.254 1.00 0.00 H
+ATOM 4812 N ARG B 705 35.145 62.062 14.370 1.00 34.54 N
+ATOM 4813 H ARG B 705 35.854 62.822 14.351 1.00 0.00 H
+ATOM 4814 CA ARG B 705 35.569 60.721 14.617 1.00 34.41 C
+ATOM 4815 HA ARG B 705 34.830 59.996 14.275 1.00 0.00 H
+ATOM 4816 C ARG B 705 35.752 60.541 16.122 1.00 34.50 C
+ATOM 4817 O ARG B 705 36.316 61.423 16.823 1.00 33.71 O
+ATOM 4818 CB ARG B 705 36.859 60.478 13.858 1.00 35.51 C
+ATOM 4819 HB1 ARG B 705 36.717 60.788 12.823 1.00 0.00 H
+ATOM 4820 HB2 ARG B 705 37.647 61.079 14.311 1.00 0.00 H
+ATOM 4821 CG ARG B 705 37.283 59.047 13.873 1.00 42.18 C
+ATOM 4822 HG1 ARG B 705 37.864 58.867 14.777 1.00 0.00 H
+ATOM 4823 HG2 ARG B 705 36.391 58.421 13.885 1.00 0.00 H
+ATOM 4824 CD ARG B 705 38.133 58.660 12.662 1.00 51.83 C
+ATOM 4825 HD1 ARG B 705 38.933 59.386 12.518 1.00 0.00 H
+ATOM 4826 HD2 ARG B 705 37.514 58.621 11.766 1.00 0.00 H
+ATOM 4827 NE ARG B 705 38.700 57.330 12.944 1.00 57.60 N
+ATOM 4828 HE ARG B 705 38.596 56.966 13.913 1.00 0.00 H
+ATOM 4829 CZ ARG B 705 39.336 56.550 12.065 1.00 59.56 C
+ATOM 4830 NH1 ARG B 705 39.531 56.932 10.790 1.00 61.19 N
+ATOM 4831 1HH1 ARG B 705 39.183 57.857 10.465 1.00 0.00 H
+ATOM 4832 2HH1 ARG B 705 40.030 56.303 10.129 1.00 0.00 H
+ATOM 4833 NH2 ARG B 705 39.781 55.377 12.479 1.00 57.99 N
+ATOM 4834 1HH2 ARG B 705 39.632 55.083 13.465 1.00 0.00 H
+ATOM 4835 2HH2 ARG B 705 40.280 54.747 11.818 1.00 0.00 H
+ATOM 4836 N ILE B 706 35.200 59.444 16.640 1.00 35.29 N
+ATOM 4837 H ILE B 706 34.658 58.811 16.018 1.00 0.00 H
+ATOM 4838 CA ILE B 706 35.333 59.105 18.050 1.00 37.25 C
+ATOM 4839 HA ILE B 706 35.646 59.996 18.595 1.00 0.00 H
+ATOM 4840 C ILE B 706 36.361 57.995 18.154 1.00 38.84 C
+ATOM 4841 O ILE B 706 36.197 56.940 17.526 1.00 40.88 O
+ATOM 4842 CB ILE B 706 33.981 58.658 18.709 1.00 37.92 C
+ATOM 4843 HB ILE B 706 33.782 57.664 18.309 1.00 0.00 H
+ATOM 4844 CG1 ILE B 706 32.831 59.612 18.360 1.00 36.38 C
+ATOM 4845 1HG1 ILE B 706 32.879 59.813 17.290 1.00 0.00 H
+ATOM 4846 2HG1 ILE B 706 31.895 59.103 18.591 1.00 0.00 H
+ATOM 4847 CG2 ILE B 706 34.078 58.602 20.258 1.00 35.05 C
+ATOM 4848 1HG2 ILE B 706 34.850 57.889 20.547 1.00 0.00 H
+ATOM 4849 2HG2 ILE B 706 34.333 59.590 20.641 1.00 0.00 H
+ATOM 4850 3HG2 ILE B 706 33.119 58.288 20.670 1.00 0.00 H
+ATOM 4851 CD1 ILE B 706 32.824 60.907 19.061 1.00 32.33 C
+ATOM 4852 1HD1 ILE B 706 32.758 60.737 20.136 1.00 0.00 H
+ATOM 4853 2HD1 ILE B 706 33.743 61.447 18.833 1.00 0.00 H
+ATOM 4854 3HD1 ILE B 706 31.966 61.492 18.731 1.00 0.00 H
+ATOM 4855 N LEU B 707 37.438 58.221 18.890 1.00 39.31 N
+ATOM 4856 H LEU B 707 37.548 59.135 19.373 1.00 0.00 H
+ATOM 4857 CA LEU B 707 38.477 57.197 19.032 1.00 41.35 C
+ATOM 4858 HA LEU B 707 38.322 56.485 18.221 1.00 0.00 H
+ATOM 4859 C LEU B 707 38.383 56.401 20.343 1.00 42.23 C
+ATOM 4860 O LEU B 707 38.004 56.947 21.407 1.00 42.06 O
+ATOM 4861 CB LEU B 707 39.850 57.846 18.933 1.00 41.57 C
+ATOM 4862 HB1 LEU B 707 40.063 58.374 19.863 1.00 0.00 H
+ATOM 4863 HB2 LEU B 707 40.600 57.071 18.777 1.00 0.00 H
+ATOM 4864 CG LEU B 707 39.907 58.834 17.776 1.00 43.27 C
+ATOM 4865 HG LEU B 707 39.108 59.573 17.839 1.00 0.00 H
+ATOM 4866 CD1 LEU B 707 41.199 59.533 17.823 1.00 46.67 C
+ATOM 4867 1HD1 LEU B 707 41.289 60.064 18.771 1.00 0.00 H
+ATOM 4868 2HD1 LEU B 707 42.007 58.807 17.733 1.00 0.00 H
+ATOM 4869 3HD1 LEU B 707 41.256 60.245 17.000 1.00 0.00 H
+ATOM 4870 CD2 LEU B 707 39.761 58.053 16.488 1.00 42.53 C
+ATOM 4871 1HD2 LEU B 707 40.574 57.331 16.408 1.00 0.00 H
+ATOM 4872 2HD2 LEU B 707 38.806 57.528 16.489 1.00 0.00 H
+ATOM 4873 3HD2 LEU B 707 39.799 58.739 15.642 1.00 0.00 H
+ATOM 4874 N LYS B 708 38.734 55.123 20.227 1.00 43.53 N
+ATOM 4875 H LYS B 708 38.950 54.771 19.273 1.00 0.00 H
+ATOM 4876 CA LYS B 708 38.839 54.184 21.322 1.00 45.07 C
+ATOM 4877 HA LYS B 708 37.965 54.230 21.972 1.00 0.00 H
+ATOM 4878 C LYS B 708 40.112 54.511 22.052 1.00 44.98 C
+ATOM 4879 O LYS B 708 41.135 54.660 21.425 1.00 45.80 O
+ATOM 4880 CB LYS B 708 39.014 52.797 20.730 1.00 46.42 C
+ATOM 4881 HB1 LYS B 708 39.132 52.906 19.652 1.00 0.00 H
+ATOM 4882 HB2 LYS B 708 39.922 52.366 21.152 1.00 0.00 H
+ATOM 4883 CG LYS B 708 37.903 51.843 20.971 1.00 51.23 C
+ATOM 4884 HG1 LYS B 708 37.387 52.108 21.894 1.00 0.00 H
+ATOM 4885 HG2 LYS B 708 37.200 51.882 20.139 1.00 0.00 H
+ATOM 4886 CD LYS B 708 38.483 50.419 21.093 1.00 58.16 C
+ATOM 4887 HD1 LYS B 708 39.525 50.484 21.407 1.00 0.00 H
+ATOM 4888 HD2 LYS B 708 37.914 49.865 21.839 1.00 0.00 H
+ATOM 4889 CE LYS B 708 38.408 49.672 19.741 1.00 62.48 C
+ATOM 4890 HE1 LYS B 708 38.977 48.746 19.828 1.00 0.00 H
+ATOM 4891 HE2 LYS B 708 38.858 50.303 18.974 1.00 0.00 H
+ATOM 4892 NZ LYS B 708 36.981 49.324 19.305 1.00 62.16 N
+ATOM 4893 HZ1 LYS B 708 36.540 48.712 20.021 1.00 0.00 H
+ATOM 4894 HZ2 LYS B 708 36.427 50.199 19.206 1.00 0.00 H
+ATOM 4895 HZ3 LYS B 708 37.010 48.826 18.392 1.00 0.00 H
+ATOM 4896 N GLU B 709 40.063 54.603 23.372 1.00 46.14 N
+ATOM 4897 H GLU B 709 39.144 54.466 23.840 1.00 0.00 H
+ATOM 4898 CA GLU B 709 41.224 54.886 24.206 1.00 47.63 C
+ATOM 4899 HA GLU B 709 41.572 55.870 23.890 1.00 0.00 H
+ATOM 4900 C GLU B 709 42.413 53.907 24.038 1.00 47.20 C
+ATOM 4901 O GLU B 709 43.572 54.239 24.297 1.00 46.83 O
+ATOM 4902 CB GLU B 709 40.803 54.822 25.662 1.00 48.27 C
+ATOM 4903 HB1 GLU B 709 39.892 55.405 25.796 1.00 0.00 H
+ATOM 4904 HB2 GLU B 709 40.611 53.784 25.933 1.00 0.00 H
+ATOM 4905 CG GLU B 709 41.895 55.383 26.570 1.00 55.19 C
+ATOM 4906 HG1 GLU B 709 42.752 54.710 26.536 1.00 0.00 H
+ATOM 4907 HG2 GLU B 709 42.189 56.362 26.192 1.00 0.00 H
+ATOM 4908 CD GLU B 709 41.458 55.538 28.030 1.00 65.09 C
+ATOM 4909 OE1 GLU B 709 41.791 56.633 28.627 1.00 67.27 O
+ATOM 4910 OE2 GLU B 709 40.779 54.581 28.567 1.00 65.28 O
+ATOM 4911 N THR B 710 42.102 52.690 23.646 1.00 46.67 N
+ATOM 4912 H THR B 710 41.111 52.458 23.433 1.00 0.00 H
+ATOM 4913 CA THR B 710 43.103 51.684 23.509 1.00 47.35 C
+ATOM 4914 HA THR B 710 43.818 51.829 24.319 1.00 0.00 H
+ATOM 4915 C THR B 710 43.821 51.816 22.172 1.00 47.71 C
+ATOM 4916 O THR B 710 44.797 51.105 21.924 1.00 48.33 O
+ATOM 4917 CB THR B 710 42.495 50.245 23.636 1.00 47.12 C
+ATOM 4918 HB THR B 710 43.322 49.545 23.754 1.00 0.00 H
+ATOM 4919 OG1 THR B 710 41.757 49.892 22.456 1.00 47.59 O
+ATOM 4920 HG1 THR B 710 41.384 48.981 22.562 1.00 0.00 H
+ATOM 4921 CG2 THR B 710 41.606 50.157 24.825 1.00 45.95 C
+ATOM 4922 1HG2 THR B 710 40.768 50.843 24.702 1.00 0.00 H
+ATOM 4923 2HG2 THR B 710 41.231 49.138 24.922 1.00 0.00 H
+ATOM 4924 3HG2 THR B 710 42.169 50.426 25.719 1.00 0.00 H
+ATOM 4925 N GLU B 711 43.312 52.681 21.296 1.00 47.02 N
+ATOM 4926 H GLU B 711 42.445 53.202 21.536 1.00 0.00 H
+ATOM 4927 CA GLU B 711 43.944 52.907 20.020 1.00 46.25 C
+ATOM 4928 HA GLU B 711 44.315 51.947 19.661 1.00 0.00 H
+ATOM 4929 C GLU B 711 45.094 53.892 20.143 1.00 44.97 C
+ATOM 4930 O GLU B 711 45.714 54.188 19.184 1.00 46.13 O
+ATOM 4931 CB GLU B 711 42.944 53.510 19.067 1.00 46.82 C
+ATOM 4932 HB1 GLU B 711 42.338 54.221 19.630 1.00 0.00 H
+ATOM 4933 HB2 GLU B 711 43.502 54.041 18.295 1.00 0.00 H
+ATOM 4934 CG GLU B 711 42.019 52.571 18.387 1.00 50.73 C
+ATOM 4935 HG1 GLU B 711 42.591 51.796 17.876 1.00 0.00 H
+ATOM 4936 HG2 GLU B 711 41.358 52.109 19.120 1.00 0.00 H
+ATOM 4937 CD GLU B 711 41.187 53.364 17.364 1.00 57.99 C
+ATOM 4938 OE1 GLU B 711 40.580 54.429 17.723 1.00 55.48 O
+ATOM 4939 OE2 GLU B 711 41.169 52.922 16.189 1.00 61.98 O
+ATOM 4940 N PHE B 712 45.364 54.449 21.302 1.00 44.67 N
+ATOM 4941 H PHE B 712 44.799 54.210 22.142 1.00 0.00 H
+ATOM 4942 CA PHE B 712 46.447 55.392 21.401 1.00 44.89 C
+ATOM 4943 HA PHE B 712 47.157 55.058 20.644 1.00 0.00 H
+ATOM 4944 C PHE B 712 47.263 55.337 22.684 1.00 46.15 C
+ATOM 4945 O PHE B 712 46.736 55.127 23.721 1.00 47.74 O
+ATOM 4946 CB PHE B 712 45.998 56.846 21.027 1.00 45.17 C
+ATOM 4947 HB1 PHE B 712 46.851 57.510 21.167 1.00 0.00 H
+ATOM 4948 HB2 PHE B 712 45.705 56.850 19.977 1.00 0.00 H
+ATOM 4949 CG PHE B 712 44.852 57.386 21.831 1.00 39.61 C
+ATOM 4950 CD1 PHE B 712 45.084 58.025 23.043 1.00 36.97 C
+ATOM 4951 HD1 PHE B 712 46.103 58.101 23.424 1.00 0.00 H
+ATOM 4952 CD2 PHE B 712 43.550 57.264 21.363 1.00 33.78 C
+ATOM 4953 HD2 PHE B 712 43.365 56.764 20.412 1.00 0.00 H
+ATOM 4954 CE1 PHE B 712 44.001 58.587 23.802 1.00 37.95 C
+ATOM 4955 HE1 PHE B 712 44.198 59.111 24.737 1.00 0.00 H
+ATOM 4956 CE2 PHE B 712 42.477 57.772 22.093 1.00 37.25 C
+ATOM 4957 HE2 PHE B 712 41.461 57.647 21.718 1.00 0.00 H
+ATOM 4958 CZ PHE B 712 42.696 58.456 23.331 1.00 36.69 C
+ATOM 4959 HZ PHE B 712 41.858 58.867 23.895 1.00 0.00 H
+ATOM 4960 N LYS B 713 48.572 55.499 22.567 1.00 48.43 N
+ATOM 4961 H LYS B 713 48.936 55.705 21.615 1.00 0.00 H
+ATOM 4962 CA LYS B 713 49.550 55.417 23.640 1.00 49.95 C
+ATOM 4963 HA LYS B 713 49.120 55.028 24.563 1.00 0.00 H
+ATOM 4964 C LYS B 713 50.081 56.864 23.895 1.00 51.67 C
+ATOM 4965 O LYS B 713 50.483 57.560 22.951 1.00 52.64 O
+ATOM 4966 CB LYS B 713 50.681 54.453 23.206 1.00 49.44 C
+ATOM 4967 HB1 LYS B 713 50.261 53.466 23.010 1.00 0.00 H
+ATOM 4968 HB2 LYS B 713 51.154 54.834 22.301 1.00 0.00 H
+ATOM 4969 N LYS B 714 50.014 57.355 25.131 1.00 52.52 N
+ATOM 4970 H LYS B 714 49.506 56.820 25.865 1.00 0.00 H
+ATOM 4971 CA LYS B 714 50.633 58.617 25.474 1.00 53.82 C
+ATOM 4972 HA LYS B 714 50.487 59.325 24.658 1.00 0.00 H
+ATOM 4973 C LYS B 714 52.123 58.361 25.721 1.00 54.59 C
+ATOM 4974 O LYS B 714 52.493 57.355 26.303 1.00 55.18 O
+ATOM 4975 CB LYS B 714 50.011 59.208 26.721 1.00 53.99 C
+ATOM 4976 HB1 LYS B 714 50.298 58.594 27.575 1.00 0.00 H
+ATOM 4977 HB2 LYS B 714 50.398 60.218 26.855 1.00 0.00 H
+ATOM 4978 CG LYS B 714 48.507 59.276 26.666 1.00 57.59 C
+ATOM 4979 HG1 LYS B 714 48.213 60.034 25.940 1.00 0.00 H
+ATOM 4980 HG2 LYS B 714 48.120 58.306 26.354 1.00 0.00 H
+ATOM 4981 CD LYS B 714 47.908 59.636 28.035 1.00 63.94 C
+ATOM 4982 HD1 LYS B 714 47.948 58.753 28.673 1.00 0.00 H
+ATOM 4983 HD2 LYS B 714 48.510 60.429 28.478 1.00 0.00 H
+ATOM 4984 CE LYS B 714 46.426 60.124 27.957 1.00 65.32 C
+ATOM 4985 HE1 LYS B 714 46.273 60.653 27.016 1.00 0.00 H
+ATOM 4986 HE2 LYS B 714 46.228 60.800 28.789 1.00 0.00 H
+ATOM 4987 NZ LYS B 714 45.469 58.953 28.030 1.00 67.77 N
+ATOM 4988 HZ1 LYS B 714 45.652 58.307 27.236 1.00 0.00 H
+ATOM 4989 HZ2 LYS B 714 45.609 58.448 28.928 1.00 0.00 H
+ATOM 4990 HZ3 LYS B 714 44.491 59.302 27.976 1.00 0.00 H
+ATOM 4991 N ILE B 715 52.986 59.261 25.276 1.00 54.41 N
+ATOM 4992 H ILE B 715 52.645 60.162 24.884 1.00 0.00 H
+ATOM 4993 CA ILE B 715 54.389 58.989 25.337 1.00 54.01 C
+ATOM 4994 HA ILE B 715 54.471 57.951 25.660 1.00 0.00 H
+ATOM 4995 C ILE B 715 55.127 59.816 26.392 1.00 54.22 C
+ATOM 4996 O ILE B 715 55.907 59.249 27.154 1.00 54.29 O
+ATOM 4997 CB ILE B 715 55.053 59.103 23.968 1.00 54.25 C
+ATOM 4998 HB ILE B 715 54.786 60.071 23.543 1.00 0.00 H
+ATOM 4999 CG1 ILE B 715 54.542 58.002 23.005 1.00 53.38 C
+ATOM 5000 1HG1 ILE B 715 53.572 58.324 22.626 1.00 0.00 H
+ATOM 5001 2HG1 ILE B 715 55.250 57.936 22.179 1.00 0.00 H
+ATOM 5002 CG2 ILE B 715 56.565 59.031 24.105 1.00 54.14 C
+ATOM 5003 1HG2 ILE B 715 56.911 59.849 24.737 1.00 0.00 H
+ATOM 5004 2HG2 ILE B 715 56.843 58.079 24.557 1.00 0.00 H
+ATOM 5005 3HG2 ILE B 715 57.022 59.114 23.119 1.00 0.00 H
+ATOM 5006 CD1 ILE B 715 54.367 56.590 23.575 1.00 53.19 C
+ATOM 5007 1HD1 ILE B 715 55.326 56.228 23.946 1.00 0.00 H
+ATOM 5008 2HD1 ILE B 715 53.647 56.616 24.393 1.00 0.00 H
+ATOM 5009 3HD1 ILE B 715 54.005 55.925 22.791 1.00 0.00 H
+ATOM 5010 N LYS B 716 54.853 61.109 26.456 1.00 53.62 N
+ATOM 5011 H LYS B 716 54.068 61.479 25.883 1.00 0.00 H
+ATOM 5012 CA LYS B 716 55.589 62.023 27.279 1.00 54.12 C
+ATOM 5013 HA LYS B 716 55.953 61.585 28.208 1.00 0.00 H
+ATOM 5014 C LYS B 716 54.606 63.114 27.407 1.00 55.16 C
+ATOM 5015 O LYS B 716 53.714 63.215 26.576 1.00 56.87 O
+ATOM 5016 CB LYS B 716 56.825 62.572 26.532 1.00 54.34 C
+ATOM 5017 HB1 LYS B 716 57.479 61.745 26.257 1.00 0.00 H
+ATOM 5018 HB2 LYS B 716 56.501 63.095 25.632 1.00 0.00 H
+ATOM 5019 N VAL B 717 54.773 63.953 28.416 1.00 55.80 N
+ATOM 5020 H VAL B 717 55.560 63.778 29.073 1.00 0.00 H
+ATOM 5021 CA VAL B 717 53.916 65.111 28.660 1.00 56.20 C
+ATOM 5022 HA VAL B 717 52.907 64.882 28.317 1.00 0.00 H
+ATOM 5023 C VAL B 717 54.508 66.291 27.945 1.00 57.23 C
+ATOM 5024 O VAL B 717 55.699 66.505 28.020 1.00 56.80 O
+ATOM 5025 CB VAL B 717 53.903 65.468 30.189 1.00 55.87 C
+ATOM 5026 HB VAL B 717 54.939 65.519 30.523 1.00 0.00 H
+ATOM 5027 CG1 VAL B 717 53.298 66.894 30.480 1.00 53.93 C
+ATOM 5028 1HG1 VAL B 717 53.891 67.651 29.966 1.00 0.00 H
+ATOM 5029 2HG1 VAL B 717 52.270 66.931 30.121 1.00 0.00 H
+ATOM 5030 3HG1 VAL B 717 53.316 67.083 31.553 1.00 0.00 H
+ATOM 5031 CG2 VAL B 717 53.199 64.376 30.977 1.00 54.94 C
+ATOM 5032 1HG2 VAL B 717 52.172 64.279 30.624 1.00 0.00 H
+ATOM 5033 2HG2 VAL B 717 53.724 63.431 30.835 1.00 0.00 H
+ATOM 5034 3HG2 VAL B 717 53.198 64.637 32.035 1.00 0.00 H
+ATOM 5035 N LEU B 718 53.670 67.103 27.326 1.00 59.01 N
+ATOM 5036 H LEU B 718 52.657 66.870 27.290 1.00 0.00 H
+ATOM 5037 CA LEU B 718 54.154 68.320 26.695 1.00 60.06 C
+ATOM 5038 HA LEU B 718 55.242 68.247 26.684 1.00 0.00 H
+ATOM 5039 C LEU B 718 53.797 69.567 27.465 1.00 61.62 C
+ATOM 5040 O LEU B 718 54.456 70.582 27.306 1.00 62.69 O
+ATOM 5041 CB LEU B 718 53.621 68.430 25.261 1.00 59.57 C
+ATOM 5042 HB1 LEU B 718 52.535 68.341 25.297 1.00 0.00 H
+ATOM 5043 HB2 LEU B 718 53.891 69.413 24.876 1.00 0.00 H
+ATOM 5044 CG LEU B 718 54.151 67.374 24.280 1.00 57.93 C
+ATOM 5045 HG LEU B 718 54.155 66.413 24.794 1.00 0.00 H
+ATOM 5046 CD1 LEU B 718 53.295 67.260 23.075 1.00 56.98 C
+ATOM 5047 1HD1 LEU B 718 52.286 66.974 23.373 1.00 0.00 H
+ATOM 5048 2HD1 LEU B 718 53.265 68.220 22.560 1.00 0.00 H
+ATOM 5049 3HD1 LEU B 718 53.707 66.502 22.409 1.00 0.00 H
+ATOM 5050 CD2 LEU B 718 55.486 67.757 23.854 1.00 57.05 C
+ATOM 5051 1HD2 LEU B 718 55.444 68.729 23.363 1.00 0.00 H
+ATOM 5052 2HD2 LEU B 718 56.141 67.815 24.723 1.00 0.00 H
+ATOM 5053 3HD2 LEU B 718 55.871 67.013 23.157 1.00 0.00 H
+ATOM 5054 N SER B 719 52.736 69.546 28.258 1.00 63.33 N
+ATOM 5055 H SER B 719 52.234 68.652 28.431 1.00 0.00 H
+ATOM 5056 CA SER B 719 52.267 70.790 28.895 1.00 65.00 C
+ATOM 5057 HA SER B 719 53.146 71.345 29.222 1.00 0.00 H
+ATOM 5058 C SER B 719 51.389 70.453 30.041 1.00 66.11 C
+ATOM 5059 O SER B 719 50.983 69.282 30.133 1.00 67.14 O
+ATOM 5060 CB SER B 719 51.483 71.650 27.936 1.00 64.63 C
+ATOM 5061 HB1 SER B 719 50.881 72.367 28.494 1.00 0.00 H
+ATOM 5062 HB2 SER B 719 50.830 71.022 27.330 1.00 0.00 H
+ATOM 5063 OG SER B 719 52.389 72.340 27.099 1.00 68.87 O
+ATOM 5064 HG SER B 719 52.935 71.686 26.595 1.00 0.00 H
+ATOM 5065 N SER B 720 51.100 71.456 30.907 1.00 66.84 N
+ATOM 5066 H SER B 720 51.482 72.403 30.707 1.00 0.00 H
+ATOM 5067 CA SER B 720 50.272 71.278 32.120 1.00 66.10 C
+ATOM 5068 HA SER B 720 49.401 70.738 31.748 1.00 0.00 H
+ATOM 5069 C SER B 720 49.706 72.538 32.761 1.00 66.87 C
+ATOM 5070 O SER B 720 48.679 72.456 33.478 1.00 68.38 O
+ATOM 5071 CB SER B 720 51.026 70.490 33.166 1.00 65.63 C
+ATOM 5072 HB1 SER B 720 51.095 71.068 34.088 1.00 0.00 H
+ATOM 5073 HB2 SER B 720 52.029 70.261 32.806 1.00 0.00 H
+ATOM 5074 OG SER B 720 50.319 69.299 33.400 1.00 64.50 O
+ATOM 5075 HG SER B 720 50.258 68.782 32.558 1.00 0.00 H
+ATOM 5076 N GLY B 724 45.894 71.975 30.576 1.00 66.75 N
+ATOM 5077 HN1 GLY B 724 45.439 72.892 30.761 1.00 0.00 H
+ATOM 5078 HN2 GLY B 724 46.927 72.096 30.561 1.00 0.00 H
+ATOM 5079 HN3 GLY B 724 45.574 71.606 29.658 1.00 0.00 H
+ATOM 5080 CA GLY B 724 45.526 71.019 31.645 1.00 67.08 C
+ATOM 5081 HA1 GLY B 724 45.858 71.426 32.600 1.00 0.00 H
+ATOM 5082 HA2 GLY B 724 44.441 70.914 31.654 1.00 0.00 H
+ATOM 5083 C GLY B 724 46.148 69.623 31.470 1.00 65.96 C
+ATOM 5084 O GLY B 724 45.715 68.680 32.114 1.00 66.54 O
+ATOM 5085 N THR B 725 47.133 69.496 30.567 1.00 64.83 N
+ATOM 5086 H THR B 725 47.375 70.344 30.016 1.00 0.00 H
+ATOM 5087 CA THR B 725 47.916 68.258 30.274 1.00 62.06 C
+ATOM 5088 HA THR B 725 48.943 68.593 30.422 1.00 0.00 H
+ATOM 5089 C THR B 725 47.791 67.757 28.822 1.00 59.72 C
+ATOM 5090 O THR B 725 46.847 67.046 28.488 1.00 60.04 O
+ATOM 5091 CB THR B 725 47.661 67.085 31.262 1.00 62.48 C
+ATOM 5092 HB THR B 725 47.734 67.458 32.284 1.00 0.00 H
+ATOM 5093 OG1 THR B 725 48.666 66.044 31.084 1.00 61.98 O
+ATOM 5094 HG1 THR B 725 48.490 65.305 31.719 1.00 0.00 H
+ATOM 5095 CG2 THR B 725 46.267 66.523 31.041 1.00 63.84 C
+ATOM 5096 1HG2 THR B 725 46.192 66.128 30.028 1.00 0.00 H
+ATOM 5097 2HG2 THR B 725 46.081 65.724 31.759 1.00 0.00 H
+ATOM 5098 3HG2 THR B 725 45.531 67.315 31.178 1.00 0.00 H
+ATOM 5099 N VAL B 726 48.773 68.100 27.983 1.00 56.58 N
+ATOM 5100 H VAL B 726 49.488 68.773 28.326 1.00 0.00 H
+ATOM 5101 CA VAL B 726 48.914 67.593 26.608 1.00 52.40 C
+ATOM 5102 HA VAL B 726 47.968 67.139 26.314 1.00 0.00 H
+ATOM 5103 C VAL B 726 50.031 66.543 26.538 1.00 51.11 C
+ATOM 5104 O VAL B 726 51.127 66.760 27.041 1.00 50.94 O
+ATOM 5105 CB VAL B 726 49.260 68.757 25.643 1.00 52.96 C
+ATOM 5106 HB VAL B 726 50.248 69.130 25.912 1.00 0.00 H
+ATOM 5107 CG1 VAL B 726 49.307 68.263 24.206 1.00 51.01 C
+ATOM 5108 1HG1 VAL B 726 50.068 67.488 24.114 1.00 0.00 H
+ATOM 5109 2HG1 VAL B 726 48.335 67.853 23.932 1.00 0.00 H
+ATOM 5110 3HG1 VAL B 726 49.551 69.095 23.545 1.00 0.00 H
+ATOM 5111 CG2 VAL B 726 48.269 69.933 25.791 1.00 48.60 C
+ATOM 5112 1HG2 VAL B 726 47.260 69.587 25.566 1.00 0.00 H
+ATOM 5113 2HG2 VAL B 726 48.305 70.310 26.813 1.00 0.00 H
+ATOM 5114 3HG2 VAL B 726 48.545 70.728 25.099 1.00 0.00 H
+ATOM 5115 N TYR B 727 49.775 65.418 25.898 1.00 49.03 N
+ATOM 5116 H TYR B 727 48.812 65.232 25.553 1.00 0.00 H
+ATOM 5117 CA TYR B 727 50.810 64.444 25.671 1.00 48.82 C
+ATOM 5118 HA TYR B 727 51.659 64.757 26.279 1.00 0.00 H
+ATOM 5119 C TYR B 727 51.276 64.379 24.221 1.00 47.02 C
+ATOM 5120 O TYR B 727 50.508 64.665 23.326 1.00 47.53 O
+ATOM 5121 CB TYR B 727 50.310 63.057 26.073 1.00 50.34 C
+ATOM 5122 HB1 TYR B 727 49.503 62.768 25.400 1.00 0.00 H
+ATOM 5123 HB2 TYR B 727 51.133 62.348 25.978 1.00 0.00 H
+ATOM 5124 CG TYR B 727 49.791 63.013 27.503 1.00 56.07 C
+ATOM 5125 CD1 TYR B 727 50.648 62.769 28.610 1.00 58.64 C
+ATOM 5126 HD1 TYR B 727 51.711 62.598 28.440 1.00 0.00 H
+ATOM 5127 CD2 TYR B 727 48.437 63.230 27.755 1.00 61.53 C
+ATOM 5128 HD2 TYR B 727 47.769 63.431 26.918 1.00 0.00 H
+ATOM 5129 CE1 TYR B 727 50.130 62.745 29.956 1.00 61.74 C
+ATOM 5130 HE1 TYR B 727 50.791 62.564 30.803 1.00 0.00 H
+ATOM 5131 CE2 TYR B 727 47.907 63.197 29.061 1.00 65.69 C
+ATOM 5132 HE2 TYR B 727 46.840 63.355 29.220 1.00 0.00 H
+ATOM 5133 CZ TYR B 727 48.749 62.961 30.154 1.00 65.70 C
+ATOM 5134 OH TYR B 727 48.118 62.964 31.389 1.00 66.26 O
+ATOM 5135 HH TYR B 727 47.695 63.846 31.540 1.00 0.00 H
+ATOM 5136 N LYS B 728 52.523 63.992 23.988 1.00 44.19 N
+ATOM 5137 H LYS B 728 53.212 64.019 24.767 1.00 0.00 H
+ATOM 5138 CA LYS B 728 52.956 63.535 22.691 1.00 41.77 C
+ATOM 5139 HA LYS B 728 52.516 64.064 21.846 1.00 0.00 H
+ATOM 5140 C LYS B 728 52.565 62.063 22.721 1.00 39.68 C
+ATOM 5141 O LYS B 728 52.688 61.431 23.741 1.00 40.39 O
+ATOM 5142 CB LYS B 728 54.496 63.742 22.544 1.00 42.33 C
+ATOM 5143 HB1 LYS B 728 54.648 64.657 21.971 1.00 0.00 H
+ATOM 5144 HB2 LYS B 728 54.905 63.870 23.546 1.00 0.00 H
+ATOM 5145 CG LYS B 728 55.312 62.620 21.851 1.00 44.45 C
+ATOM 5146 HG1 LYS B 728 55.364 61.773 22.535 1.00 0.00 H
+ATOM 5147 HG2 LYS B 728 54.776 62.325 20.949 1.00 0.00 H
+ATOM 5148 CD LYS B 728 56.797 63.002 21.433 1.00 49.88 C
+ATOM 5149 HD1 LYS B 728 56.798 63.996 20.986 1.00 0.00 H
+ATOM 5150 HD2 LYS B 728 57.429 63.003 22.321 1.00 0.00 H
+ATOM 5151 CE LYS B 728 57.397 61.922 20.346 1.00 53.65 C
+ATOM 5152 HE1 LYS B 728 56.861 62.097 19.413 1.00 0.00 H
+ATOM 5153 HE2 LYS B 728 57.146 60.932 20.727 1.00 0.00 H
+ATOM 5154 NZ LYS B 728 58.914 61.880 19.980 1.00 49.93 N
+ATOM 5155 HZ1 LYS B 728 59.199 62.797 19.581 1.00 0.00 H
+ATOM 5156 HZ2 LYS B 728 59.471 61.685 20.837 1.00 0.00 H
+ATOM 5157 HZ3 LYS B 728 59.080 61.130 19.279 1.00 0.00 H
+ATOM 5158 N GLY B 729 52.072 61.505 21.642 1.00 36.41 N
+ATOM 5159 H GLY B 729 51.875 62.075 20.795 1.00 0.00 H
+ATOM 5160 CA GLY B 729 51.809 60.097 21.649 1.00 33.82 C
+ATOM 5161 HA1 GLY B 729 52.648 59.588 22.123 1.00 0.00 H
+ATOM 5162 HA2 GLY B 729 50.902 59.914 22.225 1.00 0.00 H
+ATOM 5163 C GLY B 729 51.623 59.533 20.262 1.00 33.09 C
+ATOM 5164 O GLY B 729 51.861 60.203 19.267 1.00 32.84 O
+ATOM 5165 N LEU B 730 51.172 58.301 20.180 1.00 33.02 N
+ATOM 5166 H LEU B 730 50.968 57.772 21.052 1.00 0.00 H
+ATOM 5167 CA LEU B 730 50.955 57.670 18.896 1.00 33.60 C
+ATOM 5168 HA LEU B 730 51.117 58.418 18.120 1.00 0.00 H
+ATOM 5169 C LEU B 730 49.528 57.127 18.814 1.00 32.57 C
+ATOM 5170 O LEU B 730 49.017 56.629 19.785 1.00 30.25 O
+ATOM 5171 CB LEU B 730 51.931 56.505 18.697 1.00 33.87 C
+ATOM 5172 HB1 LEU B 730 51.931 55.939 19.629 1.00 0.00 H
+ATOM 5173 HB2 LEU B 730 51.517 55.888 17.899 1.00 0.00 H
+ATOM 5174 CG LEU B 730 53.383 56.748 18.343 1.00 38.34 C
+ATOM 5175 HG LEU B 730 53.801 57.488 19.025 1.00 0.00 H
+ATOM 5176 CD1 LEU B 730 54.185 55.431 18.498 1.00 40.79 C
+ATOM 5177 1HD1 LEU B 730 54.117 55.085 19.529 1.00 0.00 H
+ATOM 5178 2HD1 LEU B 730 53.771 54.675 17.831 1.00 0.00 H
+ATOM 5179 3HD1 LEU B 730 55.229 55.611 18.242 1.00 0.00 H
+ATOM 5180 CD2 LEU B 730 53.504 57.316 16.907 1.00 36.08 C
+ATOM 5181 1HD2 LEU B 730 53.081 56.603 16.199 1.00 0.00 H
+ATOM 5182 2HD2 LEU B 730 52.961 58.259 16.844 1.00 0.00 H
+ATOM 5183 3HD2 LEU B 730 54.555 57.484 16.671 1.00 0.00 H
+ATOM 5184 N TRP B 731 48.919 57.217 17.634 1.00 32.51 N
+ATOM 5185 H TRP B 731 49.424 57.668 16.845 1.00 0.00 H
+ATOM 5186 CA TRP B 731 47.609 56.722 17.410 1.00 31.96 C
+ATOM 5187 HA TRP B 731 47.158 56.348 18.329 1.00 0.00 H
+ATOM 5188 C TRP B 731 47.740 55.605 16.416 1.00 34.02 C
+ATOM 5189 O TRP B 731 48.269 55.788 15.329 1.00 33.57 O
+ATOM 5190 CB TRP B 731 46.669 57.843 16.927 1.00 31.52 C
+ATOM 5191 HB1 TRP B 731 46.541 58.568 17.731 1.00 0.00 H
+ATOM 5192 HB2 TRP B 731 47.120 58.335 16.065 1.00 0.00 H
+ATOM 5193 CG TRP B 731 45.316 57.309 16.532 1.00 31.21 C
+ATOM 5194 CD1 TRP B 731 44.608 56.349 17.191 1.00 28.17 C
+ATOM 5195 HD1 TRP B 731 44.920 55.874 18.121 1.00 0.00 H
+ATOM 5196 CD2 TRP B 731 44.547 57.667 15.387 1.00 29.06 C
+ATOM 5197 NE1 TRP B 731 43.471 56.072 16.532 1.00 30.47 N
+ATOM 5198 HE1 TRP B 731 42.773 55.357 16.819 1.00 0.00 H
+ATOM 5199 CE2 TRP B 731 43.370 56.870 15.430 1.00 30.73 C
+ATOM 5200 CE3 TRP B 731 44.706 58.608 14.367 1.00 25.81 C
+ATOM 5201 HE3 TRP B 731 45.591 59.244 14.332 1.00 0.00 H
+ATOM 5202 CZ2 TRP B 731 42.365 56.941 14.456 1.00 29.79 C
+ATOM 5203 HZ2 TRP B 731 41.485 56.298 14.486 1.00 0.00 H
+ATOM 5204 CZ3 TRP B 731 43.733 58.718 13.414 1.00 29.04 C
+ATOM 5205 HZ3 TRP B 731 43.846 59.450 12.614 1.00 0.00 H
+ATOM 5206 CH2 TRP B 731 42.557 57.880 13.450 1.00 35.44 C
+ATOM 5207 HH2 TRP B 731 41.803 57.987 12.670 1.00 0.00 H
+ATOM 5208 N ILE B 732 47.278 54.413 16.808 1.00 36.73 N
+ATOM 5209 H ILE B 732 46.777 54.344 17.717 1.00 0.00 H
+ATOM 5210 CA ILE B 732 47.449 53.211 16.012 1.00 39.21 C
+ATOM 5211 HA ILE B 732 48.000 53.332 15.079 1.00 0.00 H
+ATOM 5212 C ILE B 732 46.041 52.761 15.694 1.00 41.26 C
+ATOM 5213 O ILE B 732 45.513 51.907 16.392 1.00 43.48 O
+ATOM 5214 CB ILE B 732 48.263 52.196 16.890 1.00 39.73 C
+ATOM 5215 HB ILE B 732 47.593 51.867 17.684 1.00 0.00 H
+ATOM 5216 CG1 ILE B 732 49.505 52.892 17.495 1.00 39.83 C
+ATOM 5217 1HG1 ILE B 732 50.060 53.366 16.686 1.00 0.00 H
+ATOM 5218 2HG1 ILE B 732 49.163 53.654 18.195 1.00 0.00 H
+ATOM 5219 CG2 ILE B 732 48.696 50.928 16.116 1.00 38.98 C
+ATOM 5220 1HG2 ILE B 732 47.811 50.409 15.748 1.00 0.00 H
+ATOM 5221 2HG2 ILE B 732 49.327 51.215 15.275 1.00 0.00 H
+ATOM 5222 3HG2 ILE B 732 49.254 50.270 16.782 1.00 0.00 H
+ATOM 5223 CD1 ILE B 732 50.434 51.964 18.224 1.00 41.68 C
+ATOM 5224 1HD1 ILE B 732 49.899 51.489 19.047 1.00 0.00 H
+ATOM 5225 2HD1 ILE B 732 50.797 51.201 17.536 1.00 0.00 H
+ATOM 5226 3HD1 ILE B 732 51.278 52.531 18.617 1.00 0.00 H
+ATOM 5227 N PRO B 733 45.362 53.383 14.707 1.00 42.50 N
+ATOM 5228 CA PRO B 733 43.968 52.996 14.515 1.00 43.46 C
+ATOM 5229 HA PRO B 733 43.404 53.217 15.421 1.00 0.00 H
+ATOM 5230 C PRO B 733 43.754 51.511 14.233 1.00 46.65 C
+ATOM 5231 O PRO B 733 44.706 50.797 13.819 1.00 45.22 O
+ATOM 5232 CB PRO B 733 43.562 53.748 13.248 1.00 43.17 C
+ATOM 5233 HB1 PRO B 733 43.050 53.075 12.560 1.00 0.00 H
+ATOM 5234 HB2 PRO B 733 42.902 54.578 13.500 1.00 0.00 H
+ATOM 5235 CG PRO B 733 44.788 54.249 12.639 1.00 41.58 C
+ATOM 5236 HG1 PRO B 733 45.176 53.529 11.919 1.00 0.00 H
+ATOM 5237 HG2 PRO B 733 44.602 55.199 12.137 1.00 0.00 H
+ATOM 5238 CD PRO B 733 45.751 54.434 13.754 1.00 42.72 C
+ATOM 5239 HD1 PRO B 733 45.650 55.424 14.199 1.00 0.00 H
+ATOM 5240 HD2 PRO B 733 46.777 54.294 13.413 1.00 0.00 H
+ATOM 5241 N GLU B 734 42.471 51.100 14.425 1.00 49.83 N
+ATOM 5242 H GLU B 734 41.868 51.702 15.021 1.00 0.00 H
+ATOM 5243 CA GLU B 734 41.839 49.847 13.851 1.00 51.01 C
+ATOM 5244 HA GLU B 734 40.995 49.563 14.480 1.00 0.00 H
+ATOM 5245 C GLU B 734 42.873 48.712 13.861 1.00 51.06 C
+ATOM 5246 O GLU B 734 43.542 48.484 14.889 1.00 51.82 O
+ATOM 5247 CB GLU B 734 41.236 50.080 12.431 1.00 49.48 C
+ATOM 5248 HB1 GLU B 734 40.467 50.850 12.486 1.00 0.00 H
+ATOM 5249 HB2 GLU B 734 42.025 50.401 11.751 1.00 0.00 H
+ATOM 5250 N GLY B 735 43.014 48.039 12.729 1.00 50.14 N
+ATOM 5251 H GLY B 735 42.273 48.105 12.002 1.00 0.00 H
+ATOM 5252 CA GLY B 735 44.197 47.200 12.479 1.00 51.08 C
+ATOM 5253 HA1 GLY B 735 44.976 47.354 13.226 1.00 0.00 H
+ATOM 5254 HA2 GLY B 735 43.947 46.140 12.430 1.00 0.00 H
+ATOM 5255 C GLY B 735 44.586 47.763 11.117 1.00 52.13 C
+ATOM 5256 O GLY B 735 44.228 47.191 10.034 1.00 52.01 O
+ATOM 5257 N GLU B 736 45.203 48.956 11.150 1.00 50.56 N
+ATOM 5258 H GLU B 736 45.478 49.383 12.057 1.00 0.00 H
+ATOM 5259 CA GLU B 736 45.475 49.629 9.919 1.00 49.16 C
+ATOM 5260 HA GLU B 736 44.965 49.066 9.138 1.00 0.00 H
+ATOM 5261 C GLU B 736 46.950 49.620 9.541 1.00 48.34 C
+ATOM 5262 O GLU B 736 47.288 50.093 8.460 1.00 50.48 O
+ATOM 5263 CB GLU B 736 44.922 51.023 9.941 1.00 49.20 C
+ATOM 5264 HB1 GLU B 736 44.967 51.392 10.966 1.00 0.00 H
+ATOM 5265 HB2 GLU B 736 45.547 51.648 9.304 1.00 0.00 H
+ATOM 5266 CG GLU B 736 43.523 51.135 9.470 1.00 52.02 C
+ATOM 5267 HG1 GLU B 736 43.309 50.325 8.773 1.00 0.00 H
+ATOM 5268 HG2 GLU B 736 42.847 51.067 10.322 1.00 0.00 H
+ATOM 5269 CD GLU B 736 43.328 52.452 8.781 1.00 58.23 C
+ATOM 5270 OE1 GLU B 736 42.934 53.452 9.445 1.00 56.36 O
+ATOM 5271 OE2 GLU B 736 43.663 52.501 7.567 1.00 60.65 O
+ATOM 5272 N LYS B 737 47.828 49.050 10.367 1.00 46.42 N
+ATOM 5273 H LYS B 737 47.486 48.633 11.256 1.00 0.00 H
+ATOM 5274 CA LYS B 737 49.282 48.992 10.056 1.00 43.97 C
+ATOM 5275 HA LYS B 737 49.796 48.594 10.931 1.00 0.00 H
+ATOM 5276 C LYS B 737 49.840 50.398 9.789 1.00 41.97 C
+ATOM 5277 O LYS B 737 50.635 50.599 8.864 1.00 41.70 O
+ATOM 5278 CB LYS B 737 49.578 48.017 8.880 1.00 44.34 C
+ATOM 5279 HB1 LYS B 737 49.243 47.015 9.147 1.00 0.00 H
+ATOM 5280 HB2 LYS B 737 49.048 48.353 7.989 1.00 0.00 H
+ATOM 5281 N VAL B 738 49.380 51.364 10.582 1.00 39.48 N
+ATOM 5282 H VAL B 738 48.603 51.133 11.234 1.00 0.00 H
+ATOM 5283 CA VAL B 738 49.906 52.742 10.591 1.00 38.39 C
+ATOM 5284 HA VAL B 738 50.845 52.707 10.039 1.00 0.00 H
+ATOM 5285 C VAL B 738 50.029 53.163 12.023 1.00 38.16 C
+ATOM 5286 O VAL B 738 49.285 52.685 12.909 1.00 39.07 O
+ATOM 5287 CB VAL B 738 49.001 53.827 9.874 1.00 38.12 C
+ATOM 5288 HB VAL B 738 49.566 54.756 9.955 1.00 0.00 H
+ATOM 5289 CG1 VAL B 738 48.740 53.505 8.476 1.00 37.07 C
+ATOM 5290 1HG1 VAL B 738 49.685 53.446 7.935 1.00 0.00 H
+ATOM 5291 2HG1 VAL B 738 48.225 52.546 8.415 1.00 0.00 H
+ATOM 5292 3HG1 VAL B 738 48.116 54.283 8.036 1.00 0.00 H
+ATOM 5293 CG2 VAL B 738 47.651 53.937 10.525 1.00 39.40 C
+ATOM 5294 1HG2 VAL B 738 47.143 52.974 10.471 1.00 0.00 H
+ATOM 5295 2HG2 VAL B 738 47.775 54.226 11.569 1.00 0.00 H
+ATOM 5296 3HG2 VAL B 738 47.059 54.691 10.006 1.00 0.00 H
+ATOM 5297 N LYS B 739 50.983 54.035 12.270 1.00 37.47 N
+ATOM 5298 H LYS B 739 51.673 54.254 11.523 1.00 0.00 H
+ATOM 5299 CA LYS B 739 51.100 54.694 13.543 1.00 37.06 C
+ATOM 5300 HA LYS B 739 50.230 54.469 14.159 1.00 0.00 H
+ATOM 5301 C LYS B 739 51.234 56.212 13.268 1.00 36.50 C
+ATOM 5302 O LYS B 739 52.151 56.647 12.523 1.00 36.69 O
+ATOM 5303 CB LYS B 739 52.365 54.222 14.273 1.00 37.80 C
+ATOM 5304 HB1 LYS B 739 53.222 54.665 13.766 1.00 0.00 H
+ATOM 5305 HB2 LYS B 739 52.315 54.597 15.295 1.00 0.00 H
+ATOM 5306 CG LYS B 739 52.597 52.739 14.345 1.00 41.19 C
+ATOM 5307 HG1 LYS B 739 51.687 52.234 14.669 1.00 0.00 H
+ATOM 5308 HG2 LYS B 739 52.893 52.359 13.367 1.00 0.00 H
+ATOM 5309 CD LYS B 739 53.718 52.505 15.361 1.00 46.29 C
+ATOM 5310 HD1 LYS B 739 54.570 53.136 15.108 1.00 0.00 H
+ATOM 5311 HD2 LYS B 739 53.359 52.764 16.357 1.00 0.00 H
+ATOM 5312 CE LYS B 739 54.163 51.016 15.348 1.00 51.12 C
+ATOM 5313 HE1 LYS B 739 54.261 50.690 14.312 1.00 0.00 H
+ATOM 5314 HE2 LYS B 739 53.398 50.419 15.844 1.00 0.00 H
+ATOM 5315 NZ LYS B 739 55.474 50.794 16.047 1.00 54.06 N
+ATOM 5316 HZ1 LYS B 739 56.215 51.352 15.577 1.00 0.00 H
+ATOM 5317 HZ2 LYS B 739 55.391 51.093 17.040 1.00 0.00 H
+ATOM 5318 HZ3 LYS B 739 55.720 49.784 16.007 1.00 0.00 H
+ATOM 5319 N ILE B 740 50.382 57.020 13.905 1.00 34.50 N
+ATOM 5320 H ILE B 740 49.742 56.612 14.616 1.00 0.00 H
+ATOM 5321 CA ILE B 740 50.316 58.447 13.642 1.00 31.91 C
+ATOM 5322 HA ILE B 740 51.005 58.680 12.830 1.00 0.00 H
+ATOM 5323 C ILE B 740 50.758 59.252 14.832 1.00 30.90 C
+ATOM 5324 O ILE B 740 50.181 59.127 15.912 1.00 30.91 O
+ATOM 5325 CB ILE B 740 48.888 58.828 13.213 1.00 32.05 C
+ATOM 5326 HB ILE B 740 48.210 58.532 14.013 1.00 0.00 H
+ATOM 5327 CG1 ILE B 740 48.617 58.157 11.898 1.00 32.11 C
+ATOM 5328 1HG1 ILE B 740 48.650 58.899 11.100 1.00 0.00 H
+ATOM 5329 2HG1 ILE B 740 49.377 57.397 11.717 1.00 0.00 H
+ATOM 5330 CG2 ILE B 740 48.746 60.331 12.945 1.00 30.77 C
+ATOM 5331 1HG2 ILE B 740 48.987 60.885 13.852 1.00 0.00 H
+ATOM 5332 2HG2 ILE B 740 49.429 60.623 12.147 1.00 0.00 H
+ATOM 5333 3HG2 ILE B 740 47.721 60.550 12.645 1.00 0.00 H
+ATOM 5334 CD1 ILE B 740 47.362 57.559 11.921 1.00 37.15 C
+ATOM 5335 1HD1 ILE B 740 47.330 56.816 12.718 1.00 0.00 H
+ATOM 5336 2HD1 ILE B 740 46.602 58.319 12.101 1.00 0.00 H
+ATOM 5337 3HD1 ILE B 740 47.174 57.075 10.963 1.00 0.00 H
+ATOM 5338 N PRO B 741 51.794 60.092 14.650 1.00 29.03 N
+ATOM 5339 CA PRO B 741 52.157 60.916 15.794 1.00 28.30 C
+ATOM 5340 HA PRO B 741 52.266 60.322 16.702 1.00 0.00 H
+ATOM 5341 C PRO B 741 51.090 61.937 16.142 1.00 28.71 C
+ATOM 5342 O PRO B 741 50.642 62.627 15.249 1.00 30.44 O
+ATOM 5343 CB PRO B 741 53.486 61.605 15.354 1.00 26.61 C
+ATOM 5344 HB1 PRO B 741 53.292 62.604 14.964 1.00 0.00 H
+ATOM 5345 HB2 PRO B 741 54.181 61.671 16.191 1.00 0.00 H
+ATOM 5346 CG PRO B 741 54.035 60.709 14.274 1.00 25.99 C
+ATOM 5347 HG1 PRO B 741 54.704 61.255 13.609 1.00 0.00 H
+ATOM 5348 HG2 PRO B 741 54.564 59.856 14.699 1.00 0.00 H
+ATOM 5349 CD PRO B 741 52.736 60.258 13.528 1.00 28.67 C
+ATOM 5350 HD1 PRO B 741 52.889 59.320 12.994 1.00 0.00 H
+ATOM 5351 HD2 PRO B 741 52.393 61.021 12.829 1.00 0.00 H
+ATOM 5352 N VAL B 742 50.742 62.108 17.422 1.00 27.90 N
+ATOM 5353 H VAL B 742 51.278 61.632 18.175 1.00 0.00 H
+ATOM 5354 CA VAL B 742 49.636 62.943 17.752 1.00 27.57 C
+ATOM 5355 HA VAL B 742 49.501 63.626 16.913 1.00 0.00 H
+ATOM 5356 C VAL B 742 49.901 63.688 19.003 1.00 30.03 C
+ATOM 5357 O VAL B 742 50.770 63.318 19.773 1.00 30.63 O
+ATOM 5358 CB VAL B 742 48.306 62.093 17.979 1.00 29.77 C
+ATOM 5359 HB VAL B 742 47.542 62.788 18.328 1.00 0.00 H
+ATOM 5360 CG1 VAL B 742 47.783 61.487 16.666 1.00 23.29 C
+ATOM 5361 1HG1 VAL B 742 47.561 62.288 15.961 1.00 0.00 H
+ATOM 5362 2HG1 VAL B 742 48.542 60.829 16.243 1.00 0.00 H
+ATOM 5363 3HG1 VAL B 742 46.876 60.916 16.867 1.00 0.00 H
+ATOM 5364 CG2 VAL B 742 48.474 60.998 19.137 1.00 23.61 C
+ATOM 5365 1HG2 VAL B 742 49.275 60.308 18.870 1.00 0.00 H
+ATOM 5366 2HG2 VAL B 742 48.720 61.497 20.074 1.00 0.00 H
+ATOM 5367 3HG2 VAL B 742 47.541 60.447 19.252 1.00 0.00 H
+ATOM 5368 N ALA B 743 49.175 64.766 19.186 1.00 30.54 N
+ATOM 5369 H ALA B 743 48.622 65.146 18.391 1.00 0.00 H
+ATOM 5370 CA ALA B 743 49.126 65.430 20.448 1.00 33.58 C
+ATOM 5371 HA ALA B 743 49.905 65.038 21.102 1.00 0.00 H
+ATOM 5372 C ALA B 743 47.721 65.177 21.076 1.00 35.82 C
+ATOM 5373 O ALA B 743 46.717 65.257 20.381 1.00 35.73 O
+ATOM 5374 CB ALA B 743 49.379 66.927 20.285 1.00 32.22 C
+ATOM 5375 HB1 ALA B 743 50.364 67.082 19.844 1.00 0.00 H
+ATOM 5376 HB2 ALA B 743 48.617 67.354 19.633 1.00 0.00 H
+ATOM 5377 HB3 ALA B 743 49.336 67.410 21.261 1.00 0.00 H
+ATOM 5378 N ILE B 744 47.670 64.849 22.378 1.00 38.33 N
+ATOM 5379 H ILE B 744 48.555 64.849 22.925 1.00 0.00 H
+ATOM 5380 CA ILE B 744 46.425 64.492 23.062 1.00 40.05 C
+ATOM 5381 HA ILE B 744 45.620 64.532 22.328 1.00 0.00 H
+ATOM 5382 C ILE B 744 46.219 65.457 24.195 1.00 42.99 C
+ATOM 5383 O ILE B 744 47.062 65.552 25.096 1.00 43.71 O
+ATOM 5384 CB ILE B 744 46.462 63.094 23.645 1.00 39.23 C
+ATOM 5385 HB ILE B 744 47.288 63.056 24.356 1.00 0.00 H
+ATOM 5386 CG1 ILE B 744 46.705 62.059 22.562 1.00 36.63 C
+ATOM 5387 1HG1 ILE B 744 45.743 61.744 22.158 1.00 0.00 H
+ATOM 5388 2HG1 ILE B 744 47.298 62.516 21.770 1.00 0.00 H
+ATOM 5389 CG2 ILE B 744 45.129 62.769 24.401 1.00 40.81 C
+ATOM 5390 1HG2 ILE B 744 44.989 63.484 25.212 1.00 0.00 H
+ATOM 5391 2HG2 ILE B 744 44.292 62.838 23.706 1.00 0.00 H
+ATOM 5392 3HG2 ILE B 744 45.181 61.760 24.810 1.00 0.00 H
+ATOM 5393 CD1 ILE B 744 47.461 60.801 23.088 1.00 34.20 C
+ATOM 5394 1HD1 ILE B 744 48.430 61.101 23.486 1.00 0.00 H
+ATOM 5395 2HD1 ILE B 744 46.874 60.329 23.875 1.00 0.00 H
+ATOM 5396 3HD1 ILE B 744 47.606 60.097 22.269 1.00 0.00 H
+ATOM 5397 N LYS B 745 45.120 66.195 24.134 1.00 46.00 N
+ATOM 5398 H LYS B 745 44.533 66.151 23.277 1.00 0.00 H
+ATOM 5399 CA LYS B 745 44.705 67.067 25.227 1.00 49.04 C
+ATOM 5400 HA LYS B 745 45.588 67.272 25.832 1.00 0.00 H
+ATOM 5401 C LYS B 745 43.647 66.373 26.136 1.00 51.18 C
+ATOM 5402 O LYS B 745 42.602 65.885 25.648 1.00 50.34 O
+ATOM 5403 CB LYS B 745 44.175 68.379 24.706 1.00 49.56 C
+ATOM 5404 HB1 LYS B 745 44.857 68.751 23.941 1.00 0.00 H
+ATOM 5405 HB2 LYS B 745 43.194 68.207 24.264 1.00 0.00 H
+ATOM 5406 CG LYS B 745 44.039 69.442 25.797 1.00 50.82 C
+ATOM 5407 HG1 LYS B 745 43.383 69.079 26.588 1.00 0.00 H
+ATOM 5408 HG2 LYS B 745 45.019 69.671 26.215 1.00 0.00 H
+ATOM 5409 CD LYS B 745 43.456 70.662 25.178 1.00 51.67 C
+ATOM 5410 HD1 LYS B 745 43.857 70.784 24.172 1.00 0.00 H
+ATOM 5411 HD2 LYS B 745 42.372 70.559 25.126 1.00 0.00 H
+ATOM 5412 CE LYS B 745 43.801 71.862 25.998 1.00 58.05 C
+ATOM 5413 HE1 LYS B 745 44.881 72.009 26.007 1.00 0.00 H
+ATOM 5414 HE2 LYS B 745 43.445 71.730 27.020 1.00 0.00 H
+ATOM 5415 NZ LYS B 745 43.121 73.059 25.363 1.00 62.13 N
+ATOM 5416 HZ1 LYS B 745 43.464 73.174 24.388 1.00 0.00 H
+ATOM 5417 HZ2 LYS B 745 42.092 72.908 25.355 1.00 0.00 H
+ATOM 5418 HZ3 LYS B 745 43.342 73.914 25.912 1.00 0.00 H
+ATOM 5419 N GLU B 746 43.950 66.317 27.445 1.00 53.13 N
+ATOM 5420 H GLU B 746 44.837 66.751 27.770 1.00 0.00 H
+ATOM 5421 CA GLU B 746 43.093 65.678 28.421 1.00 54.26 C
+ATOM 5422 HA GLU B 746 42.188 65.382 27.891 1.00 0.00 H
+ATOM 5423 C GLU B 746 42.675 66.603 29.526 1.00 54.24 C
+ATOM 5424 O GLU B 746 41.477 66.889 29.607 1.00 55.86 O
+ATOM 5425 CB GLU B 746 43.766 64.457 28.998 1.00 55.02 C
+ATOM 5426 HB1 GLU B 746 44.128 63.838 28.177 1.00 0.00 H
+ATOM 5427 HB2 GLU B 746 44.610 64.780 29.607 1.00 0.00 H
+ATOM 5428 CG GLU B 746 42.831 63.618 29.866 1.00 57.69 C
+ATOM 5429 HG1 GLU B 746 42.607 64.167 30.781 1.00 0.00 H
+ATOM 5430 HG2 GLU B 746 41.907 63.435 29.318 1.00 0.00 H
+ATOM 5431 CD GLU B 746 43.453 62.303 30.226 1.00 63.51 C
+ATOM 5432 OE1 GLU B 746 42.696 61.291 30.360 1.00 66.42 O
+ATOM 5433 OE2 GLU B 746 44.719 62.276 30.355 1.00 67.81 O
+ATOM 5434 N SER B 752 33.414 73.430 34.953 1.00 62.40 N
+ATOM 5435 HN1 SER B 752 34.185 73.762 35.567 1.00 0.00 H
+ATOM 5436 HN2 SER B 752 33.299 74.085 34.153 1.00 0.00 H
+ATOM 5437 HN3 SER B 752 32.529 73.387 35.498 1.00 0.00 H
+ATOM 5438 CA SER B 752 33.739 72.088 34.443 1.00 62.77 C
+ATOM 5439 HA SER B 752 34.627 72.241 33.830 1.00 0.00 H
+ATOM 5440 C SER B 752 32.654 71.505 33.520 1.00 62.48 C
+ATOM 5441 O SER B 752 33.002 70.888 32.517 1.00 62.99 O
+ATOM 5442 CB SER B 752 34.135 71.078 35.559 1.00 63.03 C
+ATOM 5443 HB1 SER B 752 33.432 71.190 36.384 1.00 0.00 H
+ATOM 5444 HB2 SER B 752 35.139 71.327 35.903 1.00 0.00 H
+ATOM 5445 OG SER B 752 34.130 69.675 35.142 1.00 62.98 O
+ATOM 5446 HG SER B 752 34.773 69.550 34.400 1.00 0.00 H
+ATOM 5447 N PRO B 753 31.351 71.614 33.877 1.00 62.67 N
+ATOM 5448 CA PRO B 753 30.434 71.424 32.709 1.00 62.07 C
+ATOM 5449 HA PRO B 753 30.623 70.492 32.176 1.00 0.00 H
+ATOM 5450 C PRO B 753 30.631 72.529 31.659 1.00 60.61 C
+ATOM 5451 O PRO B 753 30.454 72.251 30.485 1.00 60.51 O
+ATOM 5452 CB PRO B 753 29.012 71.457 33.328 1.00 62.06 C
+ATOM 5453 HB1 PRO B 753 28.570 72.448 33.229 1.00 0.00 H
+ATOM 5454 HB2 PRO B 753 28.364 70.723 32.849 1.00 0.00 H
+ATOM 5455 CG PRO B 753 29.238 71.103 34.813 1.00 62.49 C
+ATOM 5456 HG1 PRO B 753 28.437 71.502 35.436 1.00 0.00 H
+ATOM 5457 HG2 PRO B 753 29.301 70.024 34.952 1.00 0.00 H
+ATOM 5458 CD PRO B 753 30.590 71.784 35.144 1.00 62.58 C
+ATOM 5459 HD1 PRO B 753 31.090 71.286 35.975 1.00 0.00 H
+ATOM 5460 HD2 PRO B 753 30.453 72.838 35.384 1.00 0.00 H
+ATOM 5461 N LYS B 754 31.020 73.743 32.084 1.00 59.22 N
+ATOM 5462 H LYS B 754 30.981 73.952 33.102 1.00 0.00 H
+ATOM 5463 CA LYS B 754 31.498 74.787 31.168 1.00 57.67 C
+ATOM 5464 HA LYS B 754 30.699 75.001 30.458 1.00 0.00 H
+ATOM 5465 C LYS B 754 32.743 74.294 30.366 1.00 56.53 C
+ATOM 5466 O LYS B 754 32.711 74.288 29.122 1.00 55.75 O
+ATOM 5467 CB LYS B 754 31.817 76.084 31.927 1.00 57.82 C
+ATOM 5468 HB1 LYS B 754 30.917 76.442 32.426 1.00 0.00 H
+ATOM 5469 HB2 LYS B 754 32.591 75.888 32.669 1.00 0.00 H
+ATOM 5470 N ALA B 755 33.813 73.885 31.076 1.00 54.60 N
+ATOM 5471 H ALA B 755 33.786 73.997 32.110 1.00 0.00 H
+ATOM 5472 CA ALA B 755 35.029 73.284 30.471 1.00 53.38 C
+ATOM 5473 HA ALA B 755 35.524 74.113 29.966 1.00 0.00 H
+ATOM 5474 C ALA B 755 34.748 72.231 29.358 1.00 52.78 C
+ATOM 5475 O ALA B 755 35.181 72.412 28.216 1.00 52.21 O
+ATOM 5476 CB ALA B 755 35.983 72.719 31.544 1.00 52.51 C
+ATOM 5477 HB1 ALA B 755 36.293 73.523 32.212 1.00 0.00 H
+ATOM 5478 HB2 ALA B 755 35.468 71.948 32.117 1.00 0.00 H
+ATOM 5479 HB3 ALA B 755 36.859 72.289 31.059 1.00 0.00 H
+ATOM 5480 N ASN B 756 34.008 71.162 29.672 1.00 51.57 N
+ATOM 5481 H ASN B 756 33.728 71.010 30.662 1.00 0.00 H
+ATOM 5482 CA ASN B 756 33.583 70.201 28.654 1.00 50.98 C
+ATOM 5483 HA ASN B 756 34.523 69.833 28.242 1.00 0.00 H
+ATOM 5484 C ASN B 756 32.785 70.754 27.489 1.00 49.76 C
+ATOM 5485 O ASN B 756 32.880 70.278 26.401 1.00 49.37 O
+ATOM 5486 CB ASN B 756 32.736 69.139 29.288 1.00 51.81 C
+ATOM 5487 HB1 ASN B 756 31.904 69.617 29.805 1.00 0.00 H
+ATOM 5488 HB2 ASN B 756 32.349 68.486 28.506 1.00 0.00 H
+ATOM 5489 CG ASN B 756 33.495 68.317 30.264 1.00 54.40 C
+ATOM 5490 OD1 ASN B 756 34.062 67.288 29.904 1.00 56.90 O
+ATOM 5491 ND2 ASN B 756 33.520 68.763 31.520 1.00 56.65 N
+ATOM 5492 1HD2 ASN B 756 34.037 68.233 32.250 1.00 0.00 H
+ATOM 5493 2HD2 ASN B 756 33.022 69.641 31.770 1.00 0.00 H
+ATOM 5494 N LYS B 757 31.916 71.694 27.765 1.00 49.55 N
+ATOM 5495 H LYS B 757 31.740 71.936 28.761 1.00 0.00 H
+ATOM 5496 CA LYS B 757 31.204 72.397 26.753 1.00 50.34 C
+ATOM 5497 HA LYS B 757 30.604 71.696 26.173 1.00 0.00 H
+ATOM 5498 C LYS B 757 32.187 73.103 25.822 1.00 49.47 C
+ATOM 5499 O LYS B 757 32.033 73.055 24.623 1.00 49.52 O
+ATOM 5500 CB LYS B 757 30.302 73.438 27.419 1.00 51.04 C
+ATOM 5501 HB1 LYS B 757 30.050 73.082 28.418 1.00 0.00 H
+ATOM 5502 HB2 LYS B 757 30.859 74.372 27.498 1.00 0.00 H
+ATOM 5503 CG LYS B 757 29.027 73.713 26.683 1.00 56.14 C
+ATOM 5504 HG1 LYS B 757 28.793 72.859 26.048 1.00 0.00 H
+ATOM 5505 HG2 LYS B 757 28.224 73.857 27.406 1.00 0.00 H
+ATOM 5506 CD LYS B 757 29.142 74.972 25.806 1.00 60.95 C
+ATOM 5507 HD1 LYS B 757 29.054 75.859 26.433 1.00 0.00 H
+ATOM 5508 HD2 LYS B 757 30.110 74.977 25.305 1.00 0.00 H
+ATOM 5509 CE LYS B 757 28.017 74.980 24.747 1.00 61.85 C
+ATOM 5510 HE1 LYS B 757 27.074 74.687 25.208 1.00 0.00 H
+ATOM 5511 HE2 LYS B 757 28.260 74.283 23.945 1.00 0.00 H
+ATOM 5512 NZ LYS B 757 27.902 76.359 24.198 1.00 63.86 N
+ATOM 5513 HZ1 LYS B 757 27.673 77.019 24.968 1.00 0.00 H
+ATOM 5514 HZ2 LYS B 757 28.805 76.634 23.762 1.00 0.00 H
+ATOM 5515 HZ3 LYS B 757 27.148 76.384 23.482 1.00 0.00 H
+ATOM 5516 N GLU B 758 33.191 73.761 26.378 1.00 48.46 N
+ATOM 5517 H GLU B 758 33.329 73.718 27.408 1.00 0.00 H
+ATOM 5518 CA GLU B 758 34.096 74.538 25.567 1.00 48.91 C
+ATOM 5519 HA GLU B 758 33.452 75.165 24.950 1.00 0.00 H
+ATOM 5520 C GLU B 758 34.949 73.760 24.576 1.00 46.93 C
+ATOM 5521 O GLU B 758 35.127 74.148 23.422 1.00 46.62 O
+ATOM 5522 CB GLU B 758 34.995 75.338 26.465 1.00 49.93 C
+ATOM 5523 HB1 GLU B 758 35.123 74.815 27.413 1.00 0.00 H
+ATOM 5524 HB2 GLU B 758 35.967 75.466 25.988 1.00 0.00 H
+ATOM 5525 CG GLU B 758 34.380 76.675 26.712 1.00 55.99 C
+ATOM 5526 HG1 GLU B 758 34.493 77.289 25.818 1.00 0.00 H
+ATOM 5527 HG2 GLU B 758 33.320 76.544 26.929 1.00 0.00 H
+ATOM 5528 CD GLU B 758 35.031 77.370 27.866 1.00 64.55 C
+ATOM 5529 OE1 GLU B 758 36.224 77.055 28.142 1.00 68.14 O
+ATOM 5530 OE2 GLU B 758 34.349 78.227 28.498 1.00 69.75 O
+ATOM 5531 N ILE B 759 35.459 72.671 25.087 1.00 45.12 N
+ATOM 5532 H ILE B 759 35.215 72.442 26.072 1.00 0.00 H
+ATOM 5533 CA ILE B 759 36.301 71.797 24.416 1.00 44.86 C
+ATOM 5534 HA ILE B 759 37.117 72.291 23.889 1.00 0.00 H
+ATOM 5535 C ILE B 759 35.547 71.112 23.250 1.00 43.47 C
+ATOM 5536 O ILE B 759 36.105 70.928 22.168 1.00 42.12 O
+ATOM 5537 CB ILE B 759 37.019 70.900 25.480 1.00 45.84 C
+ATOM 5538 HB ILE B 759 36.604 71.198 26.443 1.00 0.00 H
+ATOM 5539 CG1 ILE B 759 38.526 71.102 25.369 1.00 49.89 C
+ATOM 5540 1HG1 ILE B 759 38.946 71.079 26.374 1.00 0.00 H
+ATOM 5541 2HG1 ILE B 759 38.937 70.278 24.786 1.00 0.00 H
+ATOM 5542 CG2 ILE B 759 36.795 69.413 25.276 1.00 48.18 C
+ATOM 5543 1HG2 ILE B 759 35.728 69.196 25.335 1.00 0.00 H
+ATOM 5544 2HG2 ILE B 759 37.173 69.121 24.296 1.00 0.00 H
+ATOM 5545 3HG2 ILE B 759 37.323 68.858 26.051 1.00 0.00 H
+ATOM 5546 CD1 ILE B 759 38.981 72.505 24.659 1.00 53.33 C
+ATOM 5547 1HD1 ILE B 759 38.583 72.543 23.645 1.00 0.00 H
+ATOM 5548 2HD1 ILE B 759 38.593 73.345 25.235 1.00 0.00 H
+ATOM 5549 3HD1 ILE B 759 40.069 72.558 24.626 1.00 0.00 H
+ATOM 5550 N LEU B 760 34.264 70.802 23.434 1.00 41.50 N
+ATOM 5551 H LEU B 760 33.804 70.989 24.348 1.00 0.00 H
+ATOM 5552 CA LEU B 760 33.519 70.204 22.352 1.00 39.86 C
+ATOM 5553 HA LEU B 760 34.179 69.484 21.868 1.00 0.00 H
+ATOM 5554 C LEU B 760 33.120 71.240 21.329 1.00 39.16 C
+ATOM 5555 O LEU B 760 32.910 70.913 20.175 1.00 39.89 O
+ATOM 5556 CB LEU B 760 32.309 69.441 22.851 1.00 38.88 C
+ATOM 5557 HB1 LEU B 760 31.770 70.102 23.530 1.00 0.00 H
+ATOM 5558 HB2 LEU B 760 31.685 69.226 21.984 1.00 0.00 H
+ATOM 5559 CG LEU B 760 32.528 68.124 23.585 1.00 40.85 C
+ATOM 5560 HG LEU B 760 33.418 68.273 24.197 1.00 0.00 H
+ATOM 5561 CD1 LEU B 760 31.303 67.800 24.427 1.00 43.52 C
+ATOM 5562 1HD1 LEU B 760 31.141 68.597 25.152 1.00 0.00 H
+ATOM 5563 2HD1 LEU B 760 30.431 67.714 23.779 1.00 0.00 H
+ATOM 5564 3HD1 LEU B 760 31.463 66.858 24.951 1.00 0.00 H
+ATOM 5565 CD2 LEU B 760 32.797 66.966 22.695 1.00 38.15 C
+ATOM 5566 1HD2 LEU B 760 31.951 66.821 22.024 1.00 0.00 H
+ATOM 5567 2HD2 LEU B 760 33.697 67.160 22.111 1.00 0.00 H
+ATOM 5568 3HD2 LEU B 760 32.941 66.070 23.300 1.00 0.00 H
+ATOM 5569 N ASP B 761 32.993 72.484 21.724 1.00 39.15 N
+ATOM 5570 H ASP B 761 33.056 72.726 22.734 1.00 0.00 H
+ATOM 5571 CA ASP B 761 32.761 73.528 20.723 1.00 40.24 C
+ATOM 5572 HA ASP B 761 31.920 73.216 20.104 1.00 0.00 H
+ATOM 5573 C ASP B 761 33.989 73.722 19.875 1.00 38.97 C
+ATOM 5574 O ASP B 761 33.889 73.980 18.703 1.00 38.58 O
+ATOM 5575 CB ASP B 761 32.456 74.843 21.401 1.00 41.56 C
+ATOM 5576 HB1 ASP B 761 33.232 75.047 22.138 1.00 0.00 H
+ATOM 5577 HB2 ASP B 761 32.453 75.633 20.650 1.00 0.00 H
+ATOM 5578 CG ASP B 761 31.119 74.826 22.095 1.00 45.79 C
+ATOM 5579 OD1 ASP B 761 30.247 73.978 21.744 1.00 50.61 O
+ATOM 5580 OD2 ASP B 761 30.954 75.654 23.026 1.00 50.28 O
+ATOM 5581 N GLU B 762 35.151 73.587 20.492 1.00 38.21 N
+ATOM 5582 H GLU B 762 35.175 73.480 21.526 1.00 0.00 H
+ATOM 5583 CA GLU B 762 36.371 73.587 19.753 1.00 38.65 C
+ATOM 5584 HA GLU B 762 36.349 74.502 19.162 1.00 0.00 H
+ATOM 5585 C GLU B 762 36.505 72.425 18.799 1.00 36.75 C
+ATOM 5586 O GLU B 762 36.938 72.612 17.648 1.00 37.29 O
+ATOM 5587 CB GLU B 762 37.559 73.569 20.689 1.00 39.87 C
+ATOM 5588 HB1 GLU B 762 37.219 73.241 21.671 1.00 0.00 H
+ATOM 5589 HB2 GLU B 762 38.290 72.859 20.304 1.00 0.00 H
+ATOM 5590 CG GLU B 762 38.227 74.900 20.840 1.00 44.05 C
+ATOM 5591 HG1 GLU B 762 38.483 75.289 19.854 1.00 0.00 H
+ATOM 5592 HG2 GLU B 762 37.546 75.591 21.336 1.00 0.00 H
+ATOM 5593 CD GLU B 762 39.465 74.763 21.651 1.00 49.08 C
+ATOM 5594 OE1 GLU B 762 39.304 74.990 22.890 1.00 52.89 O
+ATOM 5595 OE2 GLU B 762 40.539 74.377 21.061 1.00 48.31 O
+ATOM 5596 N ALA B 763 36.175 71.230 19.273 1.00 34.04 N
+ATOM 5597 H ALA B 763 35.821 71.139 20.247 1.00 0.00 H
+ATOM 5598 CA ALA B 763 36.306 70.049 18.439 1.00 31.94 C
+ATOM 5599 HA ALA B 763 37.338 69.944 18.104 1.00 0.00 H
+ATOM 5600 C ALA B 763 35.383 70.219 17.277 1.00 31.21 C
+ATOM 5601 O ALA B 763 35.746 69.924 16.128 1.00 30.96 O
+ATOM 5602 CB ALA B 763 35.971 68.808 19.194 1.00 33.03 C
+ATOM 5603 HB1 ALA B 763 36.646 68.708 20.044 1.00 0.00 H
+ATOM 5604 HB2 ALA B 763 34.943 68.867 19.550 1.00 0.00 H
+ATOM 5605 HB3 ALA B 763 36.080 67.944 18.538 1.00 0.00 H
+ATOM 5606 N TYR B 764 34.224 70.787 17.549 1.00 29.87 N
+ATOM 5607 H TYR B 764 33.976 71.000 18.536 1.00 0.00 H
+ATOM 5608 CA TYR B 764 33.297 71.117 16.495 1.00 30.00 C
+ATOM 5609 HA TYR B 764 32.978 70.190 16.019 1.00 0.00 H
+ATOM 5610 C TYR B 764 33.952 71.975 15.380 1.00 29.32 C
+ATOM 5611 O TYR B 764 33.876 71.626 14.181 1.00 27.99 O
+ATOM 5612 CB TYR B 764 32.090 71.826 17.093 1.00 30.73 C
+ATOM 5613 HB1 TYR B 764 31.515 71.102 17.670 1.00 0.00 H
+ATOM 5614 HB2 TYR B 764 32.446 72.616 17.755 1.00 0.00 H
+ATOM 5615 CG TYR B 764 31.186 72.439 16.066 1.00 32.35 C
+ATOM 5616 CD1 TYR B 764 31.155 73.806 15.870 1.00 38.98 C
+ATOM 5617 HD1 TYR B 764 31.777 74.453 16.488 1.00 0.00 H
+ATOM 5618 CD2 TYR B 764 30.410 71.653 15.281 1.00 34.61 C
+ATOM 5619 HD2 TYR B 764 30.447 70.572 15.416 1.00 0.00 H
+ATOM 5620 CE1 TYR B 764 30.328 74.374 14.879 1.00 44.79 C
+ATOM 5621 HE1 TYR B 764 30.318 75.451 14.714 1.00 0.00 H
+ATOM 5622 CE2 TYR B 764 29.578 72.177 14.320 1.00 41.03 C
+ATOM 5623 HE2 TYR B 764 28.957 71.515 13.716 1.00 0.00 H
+ATOM 5624 CZ TYR B 764 29.530 73.537 14.121 1.00 44.61 C
+ATOM 5625 OH TYR B 764 28.671 74.041 13.146 1.00 48.91 O
+ATOM 5626 HH TYR B 764 27.740 73.786 13.364 1.00 0.00 H
+ATOM 5627 N VAL B 765 34.596 73.070 15.771 1.00 28.62 N
+ATOM 5628 H VAL B 765 34.653 73.314 16.780 1.00 0.00 H
+ATOM 5629 CA VAL B 765 35.230 73.938 14.755 1.00 29.74 C
+ATOM 5630 HA VAL B 765 34.427 74.130 14.043 1.00 0.00 H
+ATOM 5631 C VAL B 765 36.392 73.270 14.012 1.00 28.58 C
+ATOM 5632 O VAL B 765 36.456 73.323 12.809 1.00 28.43 O
+ATOM 5633 CB VAL B 765 35.739 75.288 15.347 1.00 30.80 C
+ATOM 5634 HB VAL B 765 36.547 75.094 16.052 1.00 0.00 H
+ATOM 5635 CG1 VAL B 765 36.215 76.148 14.209 1.00 30.03 C
+ATOM 5636 1HG1 VAL B 765 37.023 75.639 13.684 1.00 0.00 H
+ATOM 5637 2HG1 VAL B 765 35.389 76.327 13.520 1.00 0.00 H
+ATOM 5638 3HG1 VAL B 765 36.576 77.099 14.600 1.00 0.00 H
+ATOM 5639 CG2 VAL B 765 34.608 76.016 16.096 1.00 29.02 C
+ATOM 5640 1HG2 VAL B 765 33.789 76.220 15.406 1.00 0.00 H
+ATOM 5641 2HG2 VAL B 765 34.250 75.387 16.911 1.00 0.00 H
+ATOM 5642 3HG2 VAL B 765 34.987 76.955 16.500 1.00 0.00 H
+ATOM 5643 N MET B 766 37.286 72.611 14.733 1.00 28.93 N
+ATOM 5644 H MET B 766 37.163 72.556 15.764 1.00 0.00 H
+ATOM 5645 CA MET B 766 38.444 71.957 14.117 1.00 29.33 C
+ATOM 5646 HA MET B 766 38.979 72.699 13.524 1.00 0.00 H
+ATOM 5647 C MET B 766 38.029 70.844 13.204 1.00 30.26 C
+ATOM 5648 O MET B 766 38.658 70.618 12.188 1.00 32.02 O
+ATOM 5649 CB MET B 766 39.324 71.406 15.195 1.00 29.90 C
+ATOM 5650 HB1 MET B 766 38.707 70.853 15.903 1.00 0.00 H
+ATOM 5651 HB2 MET B 766 40.051 70.731 14.744 1.00 0.00 H
+ATOM 5652 CG MET B 766 40.066 72.493 15.940 1.00 32.81 C
+ATOM 5653 HG1 MET B 766 39.350 73.221 16.321 1.00 0.00 H
+ATOM 5654 HG2 MET B 766 40.758 72.988 15.259 1.00 0.00 H
+ATOM 5655 SD MET B 766 41.004 71.779 17.340 1.00 42.13 S
+ATOM 5656 CE MET B 766 41.684 73.421 18.064 1.00 48.93 C
+ATOM 5657 HE1 MET B 766 42.292 73.924 17.312 1.00 0.00 H
+ATOM 5658 HE2 MET B 766 40.851 74.064 18.349 1.00 0.00 H
+ATOM 5659 HE3 MET B 766 42.294 73.205 18.941 1.00 0.00 H
+ATOM 5660 N ALA B 767 36.947 70.138 13.552 1.00 30.84 N
+ATOM 5661 H ALA B 767 36.509 70.337 14.474 1.00 0.00 H
+ATOM 5662 CA ALA B 767 36.346 69.106 12.716 1.00 29.33 C
+ATOM 5663 HA ALA B 767 37.110 68.369 12.470 1.00 0.00 H
+ATOM 5664 C ALA B 767 35.827 69.707 11.434 1.00 29.10 C
+ATOM 5665 O ALA B 767 35.803 69.052 10.403 1.00 28.17 O
+ATOM 5666 CB ALA B 767 35.179 68.382 13.493 1.00 28.38 C
+ATOM 5667 HB1 ALA B 767 35.577 67.921 14.397 1.00 0.00 H
+ATOM 5668 HB2 ALA B 767 34.416 69.112 13.762 1.00 0.00 H
+ATOM 5669 HB3 ALA B 767 34.741 67.614 12.855 1.00 0.00 H
+ATOM 5670 N SER B 768 35.404 70.963 11.475 1.00 29.36 N
+ATOM 5671 H SER B 768 35.484 71.528 12.345 1.00 0.00 H
+ATOM 5672 CA SER B 768 34.822 71.528 10.261 1.00 31.24 C
+ATOM 5673 HA SER B 768 34.381 70.685 9.730 1.00 0.00 H
+ATOM 5674 C SER B 768 35.836 72.201 9.348 1.00 31.97 C
+ATOM 5675 O SER B 768 35.459 72.796 8.364 1.00 33.47 O
+ATOM 5676 CB SER B 768 33.809 72.591 10.633 1.00 30.55 C
+ATOM 5677 HB1 SER B 768 33.092 72.711 9.821 1.00 0.00 H
+ATOM 5678 HB2 SER B 768 34.321 73.537 10.807 1.00 0.00 H
+ATOM 5679 OG SER B 768 33.136 72.203 11.797 1.00 32.49 O
+ATOM 5680 HG SER B 768 33.789 72.095 12.534 1.00 0.00 H
+ATOM 5681 N VAL B 769 37.114 72.165 9.675 1.00 32.35 N
+ATOM 5682 H VAL B 769 37.432 71.682 10.540 1.00 0.00 H
+ATOM 5683 CA VAL B 769 38.074 72.826 8.783 1.00 31.32 C
+ATOM 5684 HA VAL B 769 37.473 73.243 7.975 1.00 0.00 H
+ATOM 5685 C VAL B 769 39.056 71.882 8.136 1.00 31.38 C
+ATOM 5686 O VAL B 769 39.551 70.957 8.752 1.00 32.60 O
+ATOM 5687 CB VAL B 769 38.809 73.966 9.492 1.00 29.89 C
+ATOM 5688 HB VAL B 769 39.594 74.354 8.842 1.00 0.00 H
+ATOM 5689 CG1 VAL B 769 37.846 75.088 9.774 1.00 27.81 C
+ATOM 5690 1HG1 VAL B 769 37.430 75.453 8.835 1.00 0.00 H
+ATOM 5691 2HG1 VAL B 769 37.041 74.723 10.412 1.00 0.00 H
+ATOM 5692 3HG1 VAL B 769 38.372 75.898 10.279 1.00 0.00 H
+ATOM 5693 CG2 VAL B 769 39.475 73.481 10.709 1.00 27.09 C
+ATOM 5694 1HG2 VAL B 769 38.730 73.066 11.388 1.00 0.00 H
+ATOM 5695 2HG2 VAL B 769 40.197 72.709 10.443 1.00 0.00 H
+ATOM 5696 3HG2 VAL B 769 39.990 74.310 11.195 1.00 0.00 H
+ATOM 5697 N ASP B 770 39.358 72.087 6.872 1.00 31.38 N
+ATOM 5698 H ASP B 770 38.951 72.878 6.333 1.00 0.00 H
+ATOM 5699 CA ASP B 770 40.295 71.144 6.266 1.00 30.37 C
+ATOM 5700 HA ASP B 770 40.934 70.689 7.023 1.00 0.00 H
+ATOM 5701 C ASP B 770 41.218 71.897 5.311 1.00 28.96 C
+ATOM 5702 O ASP B 770 40.846 72.231 4.179 1.00 27.70 O
+ATOM 5703 CB ASP B 770 39.538 69.990 5.623 1.00 30.01 C
+ATOM 5704 HB1 ASP B 770 39.075 69.398 6.413 1.00 0.00 H
+ATOM 5705 HB2 ASP B 770 38.762 70.403 4.978 1.00 0.00 H
+ATOM 5706 CG ASP B 770 40.420 69.073 4.788 1.00 34.35 C
+ATOM 5707 OD1 ASP B 770 41.611 68.832 5.082 1.00 34.07 O
+ATOM 5708 OD2 ASP B 770 39.882 68.558 3.788 1.00 43.45 O
+ATOM 5709 N ASN B 771 42.422 72.207 5.785 1.00 26.84 N
+ATOM 5710 H ASN B 771 42.725 71.887 6.727 1.00 0.00 H
+ATOM 5711 CA ASN B 771 43.310 73.014 4.938 1.00 25.35 C
+ATOM 5712 HA ASN B 771 43.189 72.745 3.889 1.00 0.00 H
+ATOM 5713 C ASN B 771 44.718 72.755 5.372 1.00 24.24 C
+ATOM 5714 O ASN B 771 44.952 72.591 6.585 1.00 22.96 O
+ATOM 5715 CB ASN B 771 42.959 74.519 5.085 1.00 24.82 C
+ATOM 5716 HB1 ASN B 771 41.905 74.654 4.840 1.00 0.00 H
+ATOM 5717 HB2 ASN B 771 43.131 74.815 6.120 1.00 0.00 H
+ATOM 5718 CG ASN B 771 43.803 75.442 4.160 1.00 27.47 C
+ATOM 5719 OD1 ASN B 771 44.836 75.995 4.577 1.00 25.80 O
+ATOM 5720 ND2 ASN B 771 43.364 75.587 2.904 1.00 25.48 N
+ATOM 5721 1HD2 ASN B 771 43.893 76.181 2.234 1.00 0.00 H
+ATOM 5722 2HD2 ASN B 771 42.494 75.105 2.598 1.00 0.00 H
+ATOM 5723 N PRO B 772 45.670 72.751 4.404 1.00 23.01 N
+ATOM 5724 CA PRO B 772 47.062 72.508 4.715 1.00 21.55 C
+ATOM 5725 HA PRO B 772 47.193 71.551 5.219 1.00 0.00 H
+ATOM 5726 C PRO B 772 47.644 73.495 5.689 1.00 22.71 C
+ATOM 5727 O PRO B 772 48.658 73.168 6.335 1.00 22.76 O
+ATOM 5728 CB PRO B 772 47.755 72.570 3.368 1.00 22.44 C
+ATOM 5729 HB1 PRO B 772 48.167 73.565 3.201 1.00 0.00 H
+ATOM 5730 HB2 PRO B 772 48.557 71.833 3.322 1.00 0.00 H
+ATOM 5731 CG PRO B 772 46.740 72.272 2.373 1.00 20.51 C
+ATOM 5732 HG1 PRO B 772 46.993 72.720 1.412 1.00 0.00 H
+ATOM 5733 HG2 PRO B 772 46.618 71.196 2.250 1.00 0.00 H
+ATOM 5734 CD PRO B 772 45.471 72.904 2.955 1.00 23.15 C
+ATOM 5735 HD1 PRO B 772 44.579 72.374 2.622 1.00 0.00 H
+ATOM 5736 HD2 PRO B 772 45.392 73.955 2.677 1.00 0.00 H
+ATOM 5737 N HIS B 773 46.992 74.645 5.888 1.00 22.17 N
+ATOM 5738 H HIS B 773 46.116 74.847 5.365 1.00 0.00 H
+ATOM 5739 CA HIS B 773 47.528 75.633 6.862 1.00 23.11 C
+ATOM 5740 HA HIS B 773 48.415 75.173 7.297 1.00 0.00 H
+ATOM 5741 C HIS B 773 46.647 75.894 8.056 1.00 22.54 C
+ATOM 5742 O HIS B 773 46.711 76.953 8.665 1.00 21.76 O
+ATOM 5743 CB HIS B 773 47.953 76.957 6.125 1.00 22.32 C
+ATOM 5744 HB1 HIS B 773 47.069 77.414 5.681 1.00 0.00 H
+ATOM 5745 HB2 HIS B 773 48.389 77.642 6.852 1.00 0.00 H
+ATOM 5746 CG HIS B 773 48.959 76.689 5.043 1.00 24.95 C
+ATOM 5747 ND1 HIS B 773 50.276 76.319 5.319 1.00 26.83 N
+ATOM 5748 CD2 HIS B 773 48.816 76.605 3.693 1.00 20.40 C
+ATOM 5749 HD2 HIS B 773 47.899 76.766 3.127 1.00 0.00 H
+ATOM 5750 CE1 HIS B 773 50.907 76.079 4.175 1.00 22.24 C
+ATOM 5751 HE1 HIS B 773 51.948 75.772 4.071 1.00 0.00 H
+ATOM 5752 NE2 HIS B 773 50.050 76.278 3.178 1.00 24.96 N
+ATOM 5753 N VAL B 774 45.800 74.927 8.389 1.00 24.71 N
+ATOM 5754 H VAL B 774 45.706 74.101 7.764 1.00 0.00 H
+ATOM 5755 CA VAL B 774 44.989 74.989 9.617 1.00 25.68 C
+ATOM 5756 HA VAL B 774 45.241 75.843 10.246 1.00 0.00 H
+ATOM 5757 C VAL B 774 45.252 73.698 10.313 1.00 27.01 C
+ATOM 5758 O VAL B 774 45.499 72.694 9.649 1.00 28.74 O
+ATOM 5759 CB VAL B 774 43.520 75.130 9.262 1.00 25.80 C
+ATOM 5760 HB VAL B 774 43.180 74.246 8.722 1.00 0.00 H
+ATOM 5761 CG1 VAL B 774 42.755 75.294 10.528 1.00 27.23 C
+ATOM 5762 1HG1 VAL B 774 42.908 74.419 11.159 1.00 0.00 H
+ATOM 5763 2HG1 VAL B 774 43.104 76.185 11.049 1.00 0.00 H
+ATOM 5764 3HG1 VAL B 774 41.694 75.398 10.299 1.00 0.00 H
+ATOM 5765 CG2 VAL B 774 43.301 76.377 8.345 1.00 23.45 C
+ATOM 5766 1HG2 VAL B 774 43.629 77.274 8.870 1.00 0.00 H
+ATOM 5767 2HG2 VAL B 774 43.879 76.259 7.429 1.00 0.00 H
+ATOM 5768 3HG2 VAL B 774 42.243 76.464 8.099 1.00 0.00 H
+ATOM 5769 N CYS B 775 45.249 73.680 11.629 1.00 28.47 N
+ATOM 5770 H CYS B 775 45.039 74.564 12.134 1.00 0.00 H
+ATOM 5771 CA CYS B 775 45.529 72.466 12.425 0.50 28.95 C
+ATOM 5772 HA CYS B 775 46.558 72.162 12.235 1.00 0.00 H
+ATOM 5773 C CYS B 775 44.574 71.356 12.030 1.00 29.65 C
+ATOM 5774 O CYS B 775 43.489 71.627 11.649 1.00 29.47 O
+ATOM 5775 CB CYS B 775 45.333 72.758 13.921 0.50 28.79 C
+ATOM 5776 HB1 CYS B 775 46.027 73.544 14.220 1.00 0.00 H
+ATOM 5777 HB2 CYS B 775 45.547 71.851 14.487 1.00 0.00 H
+ATOM 5778 SG CYS B 775 43.645 73.296 14.296 0.50 30.43 S
+ATOM 5779 HG CYS B 775 42.756 72.305 13.931 1.00 0.00 H
+ATOM 5780 N ARG B 776 45.004 70.118 12.195 1.00 30.96 N
+ATOM 5781 H ARG B 776 45.961 69.988 12.581 1.00 0.00 H
+ATOM 5782 CA ARG B 776 44.240 68.927 11.877 1.00 32.54 C
+ATOM 5783 HA ARG B 776 43.342 69.221 11.334 1.00 0.00 H
+ATOM 5784 C ARG B 776 43.828 68.183 13.159 1.00 31.77 C
+ATOM 5785 O ARG B 776 44.693 67.650 13.863 1.00 32.38 O
+ATOM 5786 CB ARG B 776 45.123 67.983 11.024 1.00 33.84 C
+ATOM 5787 HB1 ARG B 776 45.610 68.589 10.260 1.00 0.00 H
+ATOM 5788 HB2 ARG B 776 45.878 67.554 11.683 1.00 0.00 H
+ATOM 5789 CG ARG B 776 44.428 66.843 10.326 1.00 36.95 C
+ATOM 5790 HG1 ARG B 776 44.464 65.950 10.949 1.00 0.00 H
+ATOM 5791 HG2 ARG B 776 43.388 67.107 10.131 1.00 0.00 H
+ATOM 5792 CD ARG B 776 45.214 66.564 8.898 1.00 50.02 C
+ATOM 5793 HD1 ARG B 776 46.280 66.746 9.031 1.00 0.00 H
+ATOM 5794 HD2 ARG B 776 44.825 67.237 8.134 1.00 0.00 H
+ATOM 5795 NE ARG B 776 45.005 65.162 8.470 1.00 51.40 N
+ATOM 5796 HE ARG B 776 45.770 64.684 7.952 1.00 0.00 H
+ATOM 5797 CZ ARG B 776 43.886 64.484 8.716 1.00 51.69 C
+ATOM 5798 NH1 ARG B 776 42.865 65.099 9.332 1.00 52.91 N
+ATOM 5799 1HH1 ARG B 776 42.952 66.097 9.613 1.00 0.00 H
+ATOM 5800 2HH1 ARG B 776 41.987 64.578 9.529 1.00 0.00 H
+ATOM 5801 NH2 ARG B 776 43.778 63.214 8.357 1.00 50.75 N
+ATOM 5802 1HH2 ARG B 776 44.571 62.739 7.879 1.00 0.00 H
+ATOM 5803 2HH2 ARG B 776 42.901 62.691 8.553 1.00 0.00 H
+ATOM 5804 N LEU B 777 42.526 68.174 13.445 1.00 31.13 N
+ATOM 5805 H LEU B 777 41.905 68.818 12.914 1.00 0.00 H
+ATOM 5806 CA LEU B 777 41.904 67.297 14.480 1.00 30.86 C
+ATOM 5807 HA LEU B 777 42.559 67.285 15.351 1.00 0.00 H
+ATOM 5808 C LEU B 777 41.742 65.862 13.960 1.00 29.45 C
+ATOM 5809 O LEU B 777 41.139 65.688 12.931 1.00 30.59 O
+ATOM 5810 CB LEU B 777 40.525 67.846 14.861 1.00 28.78 C
+ATOM 5811 HB1 LEU B 777 40.667 68.843 15.278 1.00 0.00 H
+ATOM 5812 HB2 LEU B 777 39.932 67.917 13.949 1.00 0.00 H
+ATOM 5813 CG LEU B 777 39.724 67.022 15.879 1.00 32.17 C
+ATOM 5814 HG LEU B 777 39.711 66.007 15.481 1.00 0.00 H
+ATOM 5815 CD1 LEU B 777 40.407 66.984 17.271 1.00 30.13 C
+ATOM 5816 1HD1 LEU B 777 41.397 66.537 17.177 1.00 0.00 H
+ATOM 5817 2HD1 LEU B 777 40.501 67.999 17.656 1.00 0.00 H
+ATOM 5818 3HD1 LEU B 777 39.802 66.389 17.955 1.00 0.00 H
+ATOM 5819 CD2 LEU B 777 38.211 67.493 16.011 1.00 31.69 C
+ATOM 5820 1HD2 LEU B 777 38.183 68.534 16.333 1.00 0.00 H
+ATOM 5821 2HD2 LEU B 777 37.716 67.396 15.045 1.00 0.00 H
+ATOM 5822 3HD2 LEU B 777 37.701 66.870 16.746 1.00 0.00 H
+ATOM 5823 N LEU B 778 42.255 64.856 14.636 1.00 28.32 N
+ATOM 5824 H LEU B 778 42.840 65.035 15.477 1.00 0.00 H
+ATOM 5825 CA LEU B 778 41.995 63.475 14.194 1.00 28.30 C
+ATOM 5826 HA LEU B 778 41.801 63.478 13.121 1.00 0.00 H
+ATOM 5827 C LEU B 778 40.737 62.926 14.864 1.00 28.41 C
+ATOM 5828 O LEU B 778 39.947 62.270 14.236 1.00 28.88 O
+ATOM 5829 CB LEU B 778 43.234 62.581 14.393 1.00 28.34 C
+ATOM 5830 HB1 LEU B 778 43.409 62.418 15.456 1.00 0.00 H
+ATOM 5831 HB2 LEU B 778 43.085 61.621 13.899 1.00 0.00 H
+ATOM 5832 CG LEU B 778 44.435 63.315 13.767 1.00 30.16 C
+ATOM 5833 HG LEU B 778 44.252 64.376 13.933 1.00 0.00 H
+ATOM 5834 CD1 LEU B 778 45.666 62.980 14.396 1.00 30.11 C
+ATOM 5835 1HD1 LEU B 778 45.619 63.251 15.451 1.00 0.00 H
+ATOM 5836 2HD1 LEU B 778 45.841 61.908 14.302 1.00 0.00 H
+ATOM 5837 3HD1 LEU B 778 46.478 63.525 13.915 1.00 0.00 H
+ATOM 5838 CD2 LEU B 778 44.535 63.069 12.242 1.00 33.93 C
+ATOM 5839 1HD2 LEU B 778 44.652 62.002 12.054 1.00 0.00 H
+ATOM 5840 2HD2 LEU B 778 43.627 63.427 11.757 1.00 0.00 H
+ATOM 5841 3HD2 LEU B 778 45.396 63.606 11.844 1.00 0.00 H
+ATOM 5842 N GLY B 779 40.486 63.242 16.131 1.00 28.59 N
+ATOM 5843 H GLY B 779 41.187 63.746 16.712 1.00 0.00 H
+ATOM 5844 CA GLY B 779 39.211 62.861 16.665 1.00 28.18 C
+ATOM 5845 HA1 GLY B 779 38.425 63.386 16.122 1.00 0.00 H
+ATOM 5846 HA2 GLY B 779 39.079 61.786 16.543 1.00 0.00 H
+ATOM 5847 C GLY B 779 39.117 63.205 18.122 1.00 29.75 C
+ATOM 5848 O GLY B 779 39.947 63.959 18.669 1.00 30.23 O
+ATOM 5849 N ILE B 780 38.075 62.676 18.759 1.00 29.92 N
+ATOM 5850 H ILE B 780 37.372 62.116 18.236 1.00 0.00 H
+ATOM 5851 CA ILE B 780 37.925 62.886 20.194 1.00 31.22 C
+ATOM 5852 HA ILE B 780 38.826 63.367 20.575 1.00 0.00 H
+ATOM 5853 C ILE B 780 37.749 61.566 20.840 1.00 30.85 C
+ATOM 5854 O ILE B 780 37.419 60.587 20.192 1.00 30.85 O
+ATOM 5855 CB ILE B 780 36.770 63.867 20.547 1.00 32.06 C
+ATOM 5856 HB ILE B 780 36.686 63.904 21.633 1.00 0.00 H
+ATOM 5857 CG1 ILE B 780 35.467 63.403 19.916 1.00 34.63 C
+ATOM 5858 1HG1 ILE B 780 35.549 63.478 18.832 1.00 0.00 H
+ATOM 5859 2HG1 ILE B 780 35.285 62.365 20.194 1.00 0.00 H
+ATOM 5860 CG2 ILE B 780 37.065 65.233 19.959 1.00 31.17 C
+ATOM 5861 1HG2 ILE B 780 38.000 65.611 20.372 1.00 0.00 H
+ATOM 5862 2HG2 ILE B 780 37.152 65.150 18.876 1.00 0.00 H
+ATOM 5863 3HG2 ILE B 780 36.254 65.917 20.208 1.00 0.00 H
+ATOM 5864 CD1 ILE B 780 34.322 64.242 20.380 1.00 42.76 C
+ATOM 5865 1HD1 ILE B 780 34.234 64.167 21.464 1.00 0.00 H
+ATOM 5866 2HD1 ILE B 780 34.497 65.281 20.100 1.00 0.00 H
+ATOM 5867 3HD1 ILE B 780 33.402 63.889 19.914 1.00 0.00 H
+ATOM 5868 N CYS B 781 38.038 61.526 22.119 1.00 33.07 N
+ATOM 5869 H CYS B 781 38.433 62.376 22.570 1.00 0.00 H
+ATOM 5870 CA CYS B 781 37.825 60.325 22.939 1.00 34.26 C
+ATOM 5871 HA CYS B 781 37.329 59.548 22.358 1.00 0.00 H
+ATOM 5872 C CYS B 781 36.968 60.699 24.116 1.00 33.55 C
+ATOM 5873 O CYS B 781 37.315 61.609 24.855 1.00 32.38 O
+ATOM 5874 CB CYS B 781 39.184 59.794 23.421 1.00 35.61 C
+ATOM 5875 HB1 CYS B 781 39.584 60.477 24.170 1.00 0.00 H
+ATOM 5876 HB2 CYS B 781 39.866 59.748 22.572 1.00 0.00 H
+ATOM 5877 SG CYS B 781 39.048 58.172 24.137 1.00 36.61 S
+ATOM 5878 HG CYS B 781 38.551 57.295 23.194 1.00 0.00 H
+ATOM 5879 N LEU B 782 35.837 60.022 24.261 1.00 36.59 N
+ATOM 5880 H LEU B 782 35.651 59.233 23.610 1.00 0.00 H
+ATOM 5881 CA LEU B 782 34.800 60.333 25.322 1.00 40.13 C
+ATOM 5882 HA LEU B 782 34.963 61.386 25.551 1.00 0.00 H
+ATOM 5883 C LEU B 782 34.983 59.541 26.593 1.00 42.08 C
+ATOM 5884 O LEU B 782 34.093 58.938 27.134 1.00 44.33 O
+ATOM 5885 CB LEU B 782 33.353 60.147 24.817 1.00 39.40 C
+ATOM 5886 HB1 LEU B 782 33.321 59.228 24.232 1.00 0.00 H
+ATOM 5887 HB2 LEU B 782 32.708 60.043 25.689 1.00 0.00 H
+ATOM 5888 CG LEU B 782 32.788 61.267 23.953 1.00 41.28 C
+ATOM 5889 HG LEU B 782 32.934 60.995 22.907 1.00 0.00 H
+ATOM 5890 CD1 LEU B 782 31.229 61.474 24.189 1.00 43.69 C
+ATOM 5891 1HD1 LEU B 782 30.700 60.553 23.942 1.00 0.00 H
+ATOM 5892 2HD1 LEU B 782 31.052 61.727 25.234 1.00 0.00 H
+ATOM 5893 3HD1 LEU B 782 30.871 62.282 23.552 1.00 0.00 H
+ATOM 5894 CD2 LEU B 782 33.514 62.556 24.293 1.00 41.61 C
+ATOM 5895 1HD2 LEU B 782 33.364 62.789 25.347 1.00 0.00 H
+ATOM 5896 2HD2 LEU B 782 34.579 62.435 24.094 1.00 0.00 H
+ATOM 5897 3HD2 LEU B 782 33.119 63.367 23.681 1.00 0.00 H
+ATOM 5898 N THR B 783 36.184 59.575 27.066 1.00 45.18 N
+ATOM 5899 H THR B 783 36.887 60.164 26.576 1.00 0.00 H
+ATOM 5900 CA THR B 783 36.597 58.858 28.210 1.00 47.67 C
+ATOM 5901 HA THR B 783 36.263 57.835 28.385 1.00 0.00 H
+ATOM 5902 C THR B 783 36.068 59.776 29.308 1.00 49.84 C
+ATOM 5903 O THR B 783 35.690 60.938 28.970 1.00 49.74 O
+ATOM 5904 CB THR B 783 38.136 58.828 28.061 1.00 47.00 C
+ATOM 5905 HB THR B 783 38.384 59.322 27.122 1.00 0.00 H
+ATOM 5906 OG1 THR B 783 38.584 57.471 27.985 1.00 45.12 O
+ATOM 5907 HG1 THR B 783 39.569 57.455 27.890 1.00 0.00 H
+ATOM 5908 CG2 THR B 783 38.876 59.657 29.070 1.00 47.83 C
+ATOM 5909 1HG2 THR B 783 38.751 59.219 30.060 1.00 0.00 H
+ATOM 5910 2HG2 THR B 783 39.935 59.680 28.813 1.00 0.00 H
+ATOM 5911 3HG2 THR B 783 38.478 60.672 29.067 1.00 0.00 H
+ATOM 5912 N SER B 784 36.042 59.319 30.585 1.00 51.23 N
+ATOM 5913 H SER B 784 36.405 58.368 30.800 1.00 0.00 H
+ATOM 5914 CA SER B 784 35.495 60.173 31.688 1.00 52.82 C
+ATOM 5915 HA SER B 784 34.413 60.092 31.589 1.00 0.00 H
+ATOM 5916 C SER B 784 35.922 61.602 31.552 1.00 52.95 C
+ATOM 5917 O SER B 784 35.153 62.535 31.718 1.00 53.96 O
+ATOM 5918 CB SER B 784 35.900 59.694 33.072 1.00 53.01 C
+ATOM 5919 HB1 SER B 784 35.051 59.199 33.545 1.00 0.00 H
+ATOM 5920 HB2 SER B 784 36.202 60.550 33.675 1.00 0.00 H
+ATOM 5921 OG SER B 784 36.967 58.794 32.980 1.00 56.33 O
+ATOM 5922 HG SER B 784 37.220 58.490 33.888 1.00 0.00 H
+ATOM 5923 N THR B 785 37.181 61.758 31.224 1.00 53.97 N
+ATOM 5924 H THR B 785 37.788 60.916 31.161 1.00 0.00 H
+ATOM 5925 CA THR B 785 37.770 63.072 30.942 1.00 54.25 C
+ATOM 5926 HA THR B 785 37.148 63.915 31.243 1.00 0.00 H
+ATOM 5927 C THR B 785 37.968 63.081 29.415 1.00 53.05 C
+ATOM 5928 O THR B 785 38.562 62.150 28.846 1.00 53.21 O
+ATOM 5929 CB THR B 785 39.102 63.255 31.768 1.00 53.77 C
+ATOM 5930 HB THR B 785 38.841 63.537 32.788 1.00 0.00 H
+ATOM 5931 OG1 THR B 785 39.908 64.275 31.177 1.00 56.28 O
+ATOM 5932 HG1 THR B 785 40.740 64.382 31.702 1.00 0.00 H
+ATOM 5933 CG2 THR B 785 39.885 61.962 31.780 1.00 54.53 C
+ATOM 5934 1HG2 THR B 785 40.142 61.685 30.758 1.00 0.00 H
+ATOM 5935 2HG2 THR B 785 40.797 62.096 32.361 1.00 0.00 H
+ATOM 5936 3HG2 THR B 785 39.279 61.176 32.230 1.00 0.00 H
+ATOM 5937 N VAL B 786 37.406 64.090 28.759 1.00 51.59 N
+ATOM 5938 H VAL B 786 36.978 64.867 29.301 1.00 0.00 H
+ATOM 5939 CA VAL B 786 37.370 64.142 27.305 1.00 50.07 C
+ATOM 5940 HA VAL B 786 37.007 63.184 26.934 1.00 0.00 H
+ATOM 5941 C VAL B 786 38.770 64.385 26.753 1.00 48.68 C
+ATOM 5942 O VAL B 786 39.523 65.165 27.335 1.00 49.44 O
+ATOM 5943 CB VAL B 786 36.419 65.228 26.831 1.00 50.19 C
+ATOM 5944 HB VAL B 786 36.677 66.156 27.342 1.00 0.00 H
+ATOM 5945 CG1 VAL B 786 36.533 65.454 25.322 1.00 50.35 C
+ATOM 5946 1HG1 VAL B 786 37.551 65.755 25.077 1.00 0.00 H
+ATOM 5947 2HG1 VAL B 786 36.290 64.529 24.798 1.00 0.00 H
+ATOM 5948 3HG1 VAL B 786 35.838 66.238 25.020 1.00 0.00 H
+ATOM 5949 CG2 VAL B 786 35.019 64.805 27.139 1.00 51.63 C
+ATOM 5950 1HG2 VAL B 786 34.802 63.870 26.623 1.00 0.00 H
+ATOM 5951 2HG2 VAL B 786 34.912 64.661 28.214 1.00 0.00 H
+ATOM 5952 3HG2 VAL B 786 34.326 65.576 26.804 1.00 0.00 H
+ATOM 5953 N GLN B 787 39.142 63.654 25.691 1.00 45.81 N
+ATOM 5954 H GLN B 787 38.478 62.952 25.307 1.00 0.00 H
+ATOM 5955 CA GLN B 787 40.464 63.812 25.049 1.00 42.71 C
+ATOM 5956 HA GLN B 787 41.035 64.566 25.591 1.00 0.00 H
+ATOM 5957 C GLN B 787 40.312 64.309 23.622 1.00 41.04 C
+ATOM 5958 O GLN B 787 39.459 63.786 22.890 1.00 40.30 O
+ATOM 5959 CB GLN B 787 41.237 62.516 25.120 1.00 40.54 C
+ATOM 5960 HB1 GLN B 787 40.641 61.712 24.689 1.00 0.00 H
+ATOM 5961 HB2 GLN B 787 42.168 62.616 24.562 1.00 0.00 H
+ATOM 5962 CG GLN B 787 41.536 62.208 26.518 1.00 41.06 C
+ATOM 5963 HG1 GLN B 787 42.154 63.008 26.925 1.00 0.00 H
+ATOM 5964 HG2 GLN B 787 40.598 62.158 27.071 1.00 0.00 H
+ATOM 5965 CD GLN B 787 42.276 60.885 26.695 1.00 45.50 C
+ATOM 5966 OE1 GLN B 787 41.706 59.782 26.601 1.00 48.08 O
+ATOM 5967 NE2 GLN B 787 43.550 60.989 26.974 1.00 46.57 N
+ATOM 5968 1HE2 GLN B 787 44.121 60.133 27.125 1.00 0.00 H
+ATOM 5969 2HE2 GLN B 787 43.992 61.928 27.044 1.00 0.00 H
+ATOM 5970 N LEU B 788 41.060 65.367 23.267 1.00 39.45 N
+ATOM 5971 H LEU B 788 41.532 65.918 24.012 1.00 0.00 H
+ATOM 5972 CA LEU B 788 41.239 65.782 21.846 1.00 37.95 C
+ATOM 5973 HA LEU B 788 40.380 65.361 21.324 1.00 0.00 H
+ATOM 5974 C LEU B 788 42.513 65.257 21.273 1.00 36.62 C
+ATOM 5975 O LEU B 788 43.569 65.468 21.855 1.00 35.65 O
+ATOM 5976 CB LEU B 788 41.248 67.279 21.666 1.00 38.68 C
+ATOM 5977 HB1 LEU B 788 42.068 67.664 22.272 1.00 0.00 H
+ATOM 5978 HB2 LEU B 788 41.456 67.468 20.613 1.00 0.00 H
+ATOM 5979 CG LEU B 788 40.011 68.100 22.026 1.00 38.54 C
+ATOM 5980 HG LEU B 788 39.960 68.162 23.113 1.00 0.00 H
+ATOM 5981 CD1 LEU B 788 40.136 69.428 21.404 1.00 34.89 C
+ATOM 5982 1HD1 LEU B 788 41.033 69.921 21.779 1.00 0.00 H
+ATOM 5983 2HD1 LEU B 788 40.207 69.316 20.322 1.00 0.00 H
+ATOM 5984 3HD1 LEU B 788 39.260 70.028 21.651 1.00 0.00 H
+ATOM 5985 CD2 LEU B 788 38.715 67.457 21.537 1.00 40.76 C
+ATOM 5986 1HD2 LEU B 788 38.747 67.358 20.452 1.00 0.00 H
+ATOM 5987 2HD2 LEU B 788 38.606 66.472 21.990 1.00 0.00 H
+ATOM 5988 3HD2 LEU B 788 37.870 68.084 21.821 1.00 0.00 H
+ATOM 5989 N ILE B 789 42.397 64.537 20.157 1.00 35.04 N
+ATOM 5990 H ILE B 789 41.446 64.341 19.785 1.00 0.00 H
+ATOM 5991 CA ILE B 789 43.562 64.010 19.433 1.00 32.51 C
+ATOM 5992 HA ILE B 789 44.452 64.135 20.050 1.00 0.00 H
+ATOM 5993 C ILE B 789 43.837 64.844 18.107 1.00 32.75 C
+ATOM 5994 O ILE B 789 42.977 64.950 17.174 1.00 31.47 O
+ATOM 5995 CB ILE B 789 43.417 62.493 19.195 1.00 32.92 C
+ATOM 5996 HB ILE B 789 42.556 62.393 18.534 1.00 0.00 H
+ATOM 5997 CG1 ILE B 789 43.205 61.727 20.532 1.00 35.93 C
+ATOM 5998 1HG1 ILE B 789 43.644 60.734 20.437 1.00 0.00 H
+ATOM 5999 2HG1 ILE B 789 43.711 62.272 21.329 1.00 0.00 H
+ATOM 6000 CG2 ILE B 789 44.639 61.889 18.561 1.00 28.26 C
+ATOM 6001 1HG2 ILE B 789 44.819 62.364 17.597 1.00 0.00 H
+ATOM 6002 2HG2 ILE B 789 45.499 62.046 19.211 1.00 0.00 H
+ATOM 6003 3HG2 ILE B 789 44.481 60.820 18.417 1.00 0.00 H
+ATOM 6004 CD1 ILE B 789 41.766 61.577 20.899 1.00 36.09 C
+ATOM 6005 1HD1 ILE B 789 41.315 62.564 21.008 1.00 0.00 H
+ATOM 6006 2HD1 ILE B 789 41.248 61.024 20.115 1.00 0.00 H
+ATOM 6007 3HD1 ILE B 789 41.687 61.034 21.841 1.00 0.00 H
+ATOM 6008 N MET B 790 45.029 65.444 18.053 1.00 30.77 N
+ATOM 6009 H MET B 790 45.699 65.309 18.837 1.00 0.00 H
+ATOM 6010 CA MET B 790 45.413 66.278 16.931 1.00 31.11 C
+ATOM 6011 HA MET B 790 44.628 66.188 16.180 1.00 0.00 H
+ATOM 6012 C MET B 790 46.700 65.844 16.363 1.00 29.56 C
+ATOM 6013 O MET B 790 47.417 65.069 16.994 1.00 29.77 O
+ATOM 6014 CB MET B 790 45.562 67.704 17.366 1.00 30.51 C
+ATOM 6015 HB1 MET B 790 46.444 67.806 17.999 1.00 0.00 H
+ATOM 6016 HB2 MET B 790 45.667 68.347 16.492 1.00 0.00 H
+ATOM 6017 CG MET B 790 44.343 68.090 18.133 1.00 36.60 C
+ATOM 6018 HG1 MET B 790 44.434 67.735 19.159 1.00 0.00 H
+ATOM 6019 HG2 MET B 790 43.466 67.639 17.670 1.00 0.00 H
+ATOM 6020 SD MET B 790 44.167 69.847 18.134 1.00 42.46 S
+ATOM 6021 CE MET B 790 43.903 70.097 16.343 1.00 40.90 C
+ATOM 6022 HE1 MET B 790 44.769 69.728 15.794 1.00 0.00 H
+ATOM 6023 HE2 MET B 790 43.013 69.552 16.029 1.00 0.00 H
+ATOM 6024 HE3 MET B 790 43.770 71.160 16.142 1.00 0.00 H
+ATOM 6025 N GLN B 791 47.010 66.358 15.181 1.00 27.57 N
+ATOM 6026 H GLN B 791 46.315 66.947 14.678 1.00 0.00 H
+ATOM 6027 CA GLN B 791 48.275 66.115 14.595 1.00 27.09 C
+ATOM 6028 HA GLN B 791 48.451 65.045 14.485 1.00 0.00 H
+ATOM 6029 C GLN B 791 49.389 66.665 15.502 1.00 27.30 C
+ATOM 6030 O GLN B 791 49.297 67.776 16.044 1.00 26.64 O
+ATOM 6031 CB GLN B 791 48.295 66.743 13.248 1.00 26.46 C
+ATOM 6032 HB1 GLN B 791 47.521 66.279 12.637 1.00 0.00 H
+ATOM 6033 HB2 GLN B 791 48.081 67.806 13.358 1.00 0.00 H
+ATOM 6034 CG GLN B 791 49.602 66.593 12.550 1.00 30.35 C
+ATOM 6035 HG1 GLN B 791 50.392 66.977 13.195 1.00 0.00 H
+ATOM 6036 HG2 GLN B 791 49.777 65.535 12.353 1.00 0.00 H
+ATOM 6037 CD GLN B 791 49.630 67.341 11.249 1.00 32.41 C
+ATOM 6038 OE1 GLN B 791 48.876 68.322 11.069 1.00 35.11 O
+ATOM 6039 NE2 GLN B 791 50.459 66.879 10.319 1.00 27.87 N
+ATOM 6040 1HE2 GLN B 791 50.502 67.338 9.387 1.00 0.00 H
+ATOM 6041 2HE2 GLN B 791 51.064 66.059 10.523 1.00 0.00 H
+ATOM 6042 N LEU B 792 50.419 65.847 15.727 1.00 27.16 N
+ATOM 6043 H LEU B 792 50.384 64.866 15.384 1.00 0.00 H
+ATOM 6044 CA LEU B 792 51.606 66.326 16.459 1.00 27.09 C
+ATOM 6045 HA LEU B 792 51.256 66.783 17.385 1.00 0.00 H
+ATOM 6046 C LEU B 792 52.373 67.338 15.605 1.00 27.33 C
+ATOM 6047 O LEU B 792 52.658 67.067 14.472 1.00 26.82 O
+ATOM 6048 CB LEU B 792 52.556 65.178 16.780 1.00 25.92 C
+ATOM 6049 HB1 LEU B 792 52.000 64.420 17.332 1.00 0.00 H
+ATOM 6050 HB2 LEU B 792 52.908 64.755 15.839 1.00 0.00 H
+ATOM 6051 CG LEU B 792 53.778 65.575 17.613 1.00 26.07 C
+ATOM 6052 HG LEU B 792 54.298 66.358 17.062 1.00 0.00 H
+ATOM 6053 CD1 LEU B 792 53.389 66.147 18.915 1.00 21.43 C
+ATOM 6054 1HD1 LEU B 792 52.781 67.037 18.752 1.00 0.00 H
+ATOM 6055 2HD1 LEU B 792 52.815 65.410 19.477 1.00 0.00 H
+ATOM 6056 3HD1 LEU B 792 54.285 66.415 19.475 1.00 0.00 H
+ATOM 6057 CD2 LEU B 792 54.770 64.406 17.773 1.00 24.63 C
+ATOM 6058 1HD2 LEU B 792 54.272 63.574 18.272 1.00 0.00 H
+ATOM 6059 2HD2 LEU B 792 55.116 64.087 16.790 1.00 0.00 H
+ATOM 6060 3HD2 LEU B 792 55.621 64.733 18.371 1.00 0.00 H
+ATOM 6061 N MET B 793 52.696 68.501 16.168 1.00 27.59 N
+ATOM 6062 H MET B 793 52.355 68.702 17.130 1.00 0.00 H
+ATOM 6063 CA MET B 793 53.501 69.493 15.496 1.00 27.99 C
+ATOM 6064 HA MET B 793 53.657 69.236 14.448 1.00 0.00 H
+ATOM 6065 C MET B 793 54.859 69.544 16.163 1.00 28.28 C
+ATOM 6066 O MET B 793 55.023 70.236 17.148 1.00 29.07 O
+ATOM 6067 CB MET B 793 52.769 70.844 15.518 1.00 28.52 C
+ATOM 6068 HB1 MET B 793 52.651 71.161 16.554 1.00 0.00 H
+ATOM 6069 HB2 MET B 793 53.371 71.577 14.981 1.00 0.00 H
+ATOM 6070 CG MET B 793 51.356 70.770 14.851 1.00 27.19 C
+ATOM 6071 HG1 MET B 793 50.866 71.737 14.961 1.00 0.00 H
+ATOM 6072 HG2 MET B 793 50.768 70.006 15.360 1.00 0.00 H
+ATOM 6073 SD MET B 793 51.446 70.355 13.072 1.00 29.40 S
+ATOM 6074 CE MET B 793 51.468 72.061 12.431 1.00 27.67 C
+ATOM 6075 HE1 MET B 793 50.558 72.576 12.740 1.00 0.00 H
+ATOM 6076 HE2 MET B 793 52.337 72.586 12.828 1.00 0.00 H
+ATOM 6077 HE3 MET B 793 51.522 72.038 11.343 1.00 0.00 H
+ATOM 6078 N PRO B 794 55.837 68.787 15.639 1.00 29.23 N
+ATOM 6079 CA PRO B 794 57.001 68.525 16.479 1.00 29.77 C
+ATOM 6080 HA PRO B 794 56.717 68.067 17.426 1.00 0.00 H
+ATOM 6081 C PRO B 794 57.745 69.806 16.956 1.00 31.69 C
+ATOM 6082 O PRO B 794 58.285 69.828 18.090 1.00 33.63 O
+ATOM 6083 CB PRO B 794 57.873 67.603 15.618 1.00 29.30 C
+ATOM 6084 HB1 PRO B 794 58.672 68.172 15.142 1.00 0.00 H
+ATOM 6085 HB2 PRO B 794 58.307 66.812 16.229 1.00 0.00 H
+ATOM 6086 CG PRO B 794 56.952 67.016 14.575 1.00 28.77 C
+ATOM 6087 HG1 PRO B 794 57.499 66.802 13.657 1.00 0.00 H
+ATOM 6088 HG2 PRO B 794 56.490 66.100 14.943 1.00 0.00 H
+ATOM 6089 CD PRO B 794 55.908 68.076 14.335 1.00 28.68 C
+ATOM 6090 HD1 PRO B 794 54.947 67.628 14.081 1.00 0.00 H
+ATOM 6091 HD2 PRO B 794 56.214 68.753 13.537 1.00 0.00 H
+ATOM 6092 N PHE B 795 57.699 70.894 16.195 1.00 30.88 N
+ATOM 6093 H PHE B 795 57.103 70.917 15.343 1.00 0.00 H
+ATOM 6094 CA PHE B 795 58.495 72.055 16.570 1.00 29.64 C
+ATOM 6095 HA PHE B 795 59.308 71.675 17.189 1.00 0.00 H
+ATOM 6096 C PHE B 795 57.788 73.032 17.442 1.00 29.47 C
+ATOM 6097 O PHE B 795 58.331 74.096 17.715 1.00 28.67 O
+ATOM 6098 CB PHE B 795 59.086 72.721 15.332 1.00 29.35 C
+ATOM 6099 HB1 PHE B 795 58.272 72.984 14.657 1.00 0.00 H
+ATOM 6100 HB2 PHE B 795 59.607 73.627 15.641 1.00 0.00 H
+ATOM 6101 CG PHE B 795 60.066 71.828 14.585 1.00 31.48 C
+ATOM 6102 CD1 PHE B 795 59.614 70.948 13.601 1.00 29.39 C
+ATOM 6103 HD1 PHE B 795 58.552 70.911 13.361 1.00 0.00 H
+ATOM 6104 CD2 PHE B 795 61.464 71.832 14.925 1.00 31.65 C
+ATOM 6105 HD2 PHE B 795 61.817 72.484 15.724 1.00 0.00 H
+ATOM 6106 CE1 PHE B 795 60.523 70.096 12.905 1.00 33.38 C
+ATOM 6107 HE1 PHE B 795 60.152 69.410 12.143 1.00 0.00 H
+ATOM 6108 CE2 PHE B 795 62.374 71.020 14.255 1.00 30.96 C
+ATOM 6109 HE2 PHE B 795 63.430 71.048 14.523 1.00 0.00 H
+ATOM 6110 CZ PHE B 795 61.920 70.142 13.207 1.00 31.15 C
+ATOM 6111 HZ PHE B 795 62.628 69.524 12.655 1.00 0.00 H
+ATOM 6112 N GLY B 796 56.569 72.681 17.887 1.00 30.51 N
+ATOM 6113 H GLY B 796 56.165 71.776 17.572 1.00 0.00 H
+ATOM 6114 CA GLY B 796 55.776 73.531 18.808 1.00 29.71 C
+ATOM 6115 HA1 GLY B 796 54.914 72.957 19.146 1.00 0.00 H
+ATOM 6116 HA2 GLY B 796 56.401 73.783 19.664 1.00 0.00 H
+ATOM 6117 C GLY B 796 55.273 74.826 18.186 1.00 30.55 C
+ATOM 6118 O GLY B 796 55.086 74.891 16.980 1.00 30.92 O
+ATOM 6119 N CYS B 797 55.026 75.855 18.997 1.00 31.02 N
+ATOM 6120 H CYS B 797 55.302 75.807 19.999 1.00 0.00 H
+ATOM 6121 CA CYS B 797 54.385 77.017 18.489 1.00 32.80 C
+ATOM 6122 HA CYS B 797 53.713 76.740 17.677 1.00 0.00 H
+ATOM 6123 C CYS B 797 55.438 77.981 17.942 1.00 33.68 C
+ATOM 6124 O CYS B 797 56.614 77.941 18.355 1.00 33.72 O
+ATOM 6125 CB CYS B 797 53.562 77.668 19.570 1.00 33.43 C
+ATOM 6126 HB1 CYS B 797 52.974 76.896 20.067 1.00 0.00 H
+ATOM 6127 HB2 CYS B 797 52.892 78.391 19.105 1.00 0.00 H
+ATOM 6128 SG CYS B 797 54.508 78.490 20.765 1.00 40.11 S
+ATOM 6129 HG CYS B 797 53.670 79.051 21.707 1.00 0.00 H
+ATOM 6130 N LEU B 798 55.013 78.823 17.014 1.00 33.13 N
+ATOM 6131 H LEU B 798 53.989 78.936 16.869 1.00 0.00 H
+ATOM 6132 CA LEU B 798 55.911 79.581 16.206 1.00 33.46 C
+ATOM 6133 HA LEU B 798 56.729 78.944 15.870 1.00 0.00 H
+ATOM 6134 C LEU B 798 56.526 80.743 17.035 1.00 34.88 C
+ATOM 6135 O LEU B 798 57.656 81.195 16.735 1.00 33.78 O
+ATOM 6136 CB LEU B 798 55.170 80.106 14.977 1.00 32.57 C
+ATOM 6137 HB1 LEU B 798 54.726 79.242 14.483 1.00 0.00 H
+ATOM 6138 HB2 LEU B 798 54.379 80.762 15.341 1.00 0.00 H
+ATOM 6139 CG LEU B 798 55.937 80.888 13.902 1.00 30.58 C
+ATOM 6140 HG LEU B 798 56.334 81.812 14.322 1.00 0.00 H
+ATOM 6141 CD1 LEU B 798 57.090 80.028 13.400 1.00 26.16 C
+ATOM 6142 1HD1 LEU B 798 57.754 79.792 14.231 1.00 0.00 H
+ATOM 6143 2HD1 LEU B 798 56.695 79.105 12.976 1.00 0.00 H
+ATOM 6144 3HD1 LEU B 798 57.643 80.574 12.635 1.00 0.00 H
+ATOM 6145 CD2 LEU B 798 54.992 81.254 12.749 1.00 27.53 C
+ATOM 6146 1HD2 LEU B 798 54.586 80.342 12.311 1.00 0.00 H
+ATOM 6147 2HD2 LEU B 798 54.177 81.870 13.130 1.00 0.00 H
+ATOM 6148 3HD2 LEU B 798 55.544 81.809 11.990 1.00 0.00 H
+ATOM 6149 N LEU B 799 55.822 81.207 18.084 1.00 35.08 N
+ATOM 6150 H LEU B 799 54.877 80.826 18.292 1.00 0.00 H
+ATOM 6151 CA LEU B 799 56.403 82.258 18.934 1.00 35.85 C
+ATOM 6152 HA LEU B 799 56.663 83.099 18.290 1.00 0.00 H
+ATOM 6153 C LEU B 799 57.684 81.751 19.616 1.00 37.07 C
+ATOM 6154 O LEU B 799 58.717 82.388 19.537 1.00 37.05 O
+ATOM 6155 CB LEU B 799 55.413 82.769 19.951 1.00 34.65 C
+ATOM 6156 HB1 LEU B 799 54.563 83.175 19.403 1.00 0.00 H
+ATOM 6157 HB2 LEU B 799 55.086 81.915 20.545 1.00 0.00 H
+ATOM 6158 CG LEU B 799 55.889 83.855 20.931 1.00 36.52 C
+ATOM 6159 HG LEU B 799 56.765 83.494 21.471 1.00 0.00 H
+ATOM 6160 CD1 LEU B 799 56.316 85.138 20.155 1.00 32.92 C
+ATOM 6161 1HD1 LEU B 799 57.130 84.894 19.472 1.00 0.00 H
+ATOM 6162 2HD1 LEU B 799 55.466 85.518 19.588 1.00 0.00 H
+ATOM 6163 3HD1 LEU B 799 56.650 85.896 20.864 1.00 0.00 H
+ATOM 6164 CD2 LEU B 799 54.781 84.153 21.973 1.00 29.52 C
+ATOM 6165 1HD2 LEU B 799 53.885 84.501 21.459 1.00 0.00 H
+ATOM 6166 2HD2 LEU B 799 54.552 83.244 22.529 1.00 0.00 H
+ATOM 6167 3HD2 LEU B 799 55.129 84.923 22.661 1.00 0.00 H
+ATOM 6168 N ASP B 800 57.626 80.578 20.226 1.00 37.80 N
+ATOM 6169 H ASP B 800 56.737 80.038 20.210 1.00 0.00 H
+ATOM 6170 CA ASP B 800 58.769 80.037 20.910 1.00 38.94 C
+ATOM 6171 HA ASP B 800 59.115 80.779 21.629 1.00 0.00 H
+ATOM 6172 C ASP B 800 59.800 79.706 19.892 1.00 39.24 C
+ATOM 6173 O ASP B 800 60.990 79.758 20.197 1.00 39.66 O
+ATOM 6174 CB ASP B 800 58.434 78.754 21.663 1.00 40.10 C
+ATOM 6175 HB1 ASP B 800 57.798 78.135 21.031 1.00 0.00 H
+ATOM 6176 HB2 ASP B 800 59.361 78.222 21.875 1.00 0.00 H
+ATOM 6177 CG ASP B 800 57.694 79.019 23.006 1.00 46.84 C
+ATOM 6178 OD1 ASP B 800 57.556 78.046 23.823 1.00 55.91 O
+ATOM 6179 OD2 ASP B 800 57.239 80.168 23.265 1.00 49.22 O
+ATOM 6180 N TYR B 801 59.370 79.344 18.683 1.00 38.10 N
+ATOM 6181 H TYR B 801 58.357 79.394 18.453 1.00 0.00 H
+ATOM 6182 CA TYR B 801 60.316 78.882 17.692 1.00 36.51 C
+ATOM 6183 HA TYR B 801 61.013 78.188 18.160 1.00 0.00 H
+ATOM 6184 C TYR B 801 61.132 80.093 17.139 1.00 35.90 C
+ATOM 6185 O TYR B 801 62.325 79.957 16.901 1.00 36.17 O
+ATOM 6186 CB TYR B 801 59.608 78.109 16.573 1.00 36.75 C
+ATOM 6187 HB1 TYR B 801 59.059 77.279 17.018 1.00 0.00 H
+ATOM 6188 HB2 TYR B 801 58.909 78.781 16.075 1.00 0.00 H
+ATOM 6189 CG TYR B 801 60.575 77.550 15.528 1.00 36.52 C
+ATOM 6190 CD1 TYR B 801 61.035 78.349 14.473 1.00 37.86 C
+ATOM 6191 HD1 TYR B 801 60.691 79.381 14.401 1.00 0.00 H
+ATOM 6192 CD2 TYR B 801 60.993 76.257 15.585 1.00 35.10 C
+ATOM 6193 HD2 TYR B 801 60.614 75.610 16.376 1.00 0.00 H
+ATOM 6194 CE1 TYR B 801 61.916 77.864 13.518 1.00 39.25 C
+ATOM 6195 HE1 TYR B 801 62.266 78.500 12.705 1.00 0.00 H
+ATOM 6196 CE2 TYR B 801 61.883 75.746 14.669 1.00 38.01 C
+ATOM 6197 HE2 TYR B 801 62.229 74.716 14.760 1.00 0.00 H
+ATOM 6198 CZ TYR B 801 62.340 76.546 13.627 1.00 40.49 C
+ATOM 6199 OH TYR B 801 63.224 76.034 12.698 1.00 42.60 O
+ATOM 6200 HH TYR B 801 63.443 76.733 12.032 1.00 0.00 H
+ATOM 6201 N VAL B 802 60.519 81.257 16.953 1.00 33.30 N
+ATOM 6202 H VAL B 802 59.495 81.357 17.106 1.00 0.00 H
+ATOM 6203 CA VAL B 802 61.312 82.358 16.538 1.00 33.02 C
+ATOM 6204 HA VAL B 802 61.975 81.987 15.757 1.00 0.00 H
+ATOM 6205 C VAL B 802 62.151 82.862 17.735 1.00 34.48 C
+ATOM 6206 O VAL B 802 63.275 83.320 17.561 1.00 34.33 O
+ATOM 6207 CB VAL B 802 60.535 83.519 15.796 1.00 31.19 C
+ATOM 6208 HB VAL B 802 61.274 84.213 15.394 1.00 0.00 H
+ATOM 6209 CG1 VAL B 802 59.727 82.984 14.617 1.00 28.79 C
+ATOM 6210 1HG1 VAL B 802 60.399 82.507 13.904 1.00 0.00 H
+ATOM 6211 2HG1 VAL B 802 59.000 82.256 14.977 1.00 0.00 H
+ATOM 6212 3HG1 VAL B 802 59.206 83.809 14.131 1.00 0.00 H
+ATOM 6213 CG2 VAL B 802 59.688 84.254 16.730 1.00 32.00 C
+ATOM 6214 1HG2 VAL B 802 58.963 83.572 17.174 1.00 0.00 H
+ATOM 6215 2HG2 VAL B 802 60.307 84.690 17.514 1.00 0.00 H
+ATOM 6216 3HG2 VAL B 802 59.164 85.047 16.196 1.00 0.00 H
+ATOM 6217 N ARG B 803 61.623 82.760 18.951 1.00 35.34 N
+ATOM 6218 H ARG B 803 60.640 82.444 19.073 1.00 0.00 H
+ATOM 6219 CA ARG B 803 62.438 83.096 20.110 1.00 35.42 C
+ATOM 6220 HA ARG B 803 62.798 84.107 19.917 1.00 0.00 H
+ATOM 6221 C ARG B 803 63.682 82.251 20.259 1.00 37.00 C
+ATOM 6222 O ARG B 803 64.722 82.797 20.564 1.00 39.00 O
+ATOM 6223 CB ARG B 803 61.630 83.132 21.381 1.00 34.25 C
+ATOM 6224 HB1 ARG B 803 60.912 82.312 21.372 1.00 0.00 H
+ATOM 6225 HB2 ARG B 803 62.299 83.018 22.234 1.00 0.00 H
+ATOM 6226 CG ARG B 803 60.894 84.430 21.502 1.00 31.88 C
+ATOM 6227 HG1 ARG B 803 61.574 85.210 21.844 1.00 0.00 H
+ATOM 6228 HG2 ARG B 803 60.478 84.711 20.535 1.00 0.00 H
+ATOM 6229 CD ARG B 803 59.809 84.249 22.479 1.00 32.41 C
+ATOM 6230 HD1 ARG B 803 60.244 84.015 23.451 1.00 0.00 H
+ATOM 6231 HD2 ARG B 803 59.178 83.421 22.156 1.00 0.00 H
+ATOM 6232 NE ARG B 803 58.989 85.447 22.605 1.00 31.88 N
+ATOM 6233 HE ARG B 803 59.135 86.248 21.958 1.00 0.00 H
+ATOM 6234 CZ ARG B 803 58.069 85.514 23.532 1.00 32.92 C
+ATOM 6235 NH1 ARG B 803 57.941 84.469 24.311 1.00 34.87 N
+ATOM 6236 1HH1 ARG B 803 58.555 83.641 24.175 1.00 0.00 H
+ATOM 6237 2HH1 ARG B 803 57.225 84.467 25.065 1.00 0.00 H
+ATOM 6238 NH2 ARG B 803 57.301 86.578 23.695 1.00 30.31 N
+ATOM 6239 1HH2 ARG B 803 57.417 87.403 23.073 1.00 0.00 H
+ATOM 6240 2HH2 ARG B 803 56.581 86.590 24.445 1.00 0.00 H
+ATOM 6241 N GLU B 804 63.609 80.957 19.974 1.00 37.89 N
+ATOM 6242 H GLU B 804 62.756 80.607 19.493 1.00 0.00 H
+ATOM 6243 CA GLU B 804 64.654 80.004 20.296 1.00 38.74 C
+ATOM 6244 HA GLU B 804 65.177 80.395 21.169 1.00 0.00 H
+ATOM 6245 C GLU B 804 65.668 79.853 19.174 1.00 39.88 C
+ATOM 6246 O GLU B 804 66.725 79.216 19.343 1.00 40.44 O
+ATOM 6247 CB GLU B 804 64.040 78.617 20.622 1.00 37.46 C
+ATOM 6248 HB1 GLU B 804 63.368 78.710 21.475 1.00 0.00 H
+ATOM 6249 HB2 GLU B 804 63.483 78.255 19.758 1.00 0.00 H
+ATOM 6250 N HIS B 805 65.326 80.362 18.009 1.00 40.21 N
+ATOM 6251 H HIS B 805 64.483 80.967 17.934 1.00 0.00 H
+ATOM 6252 CA HIS B 805 66.117 80.082 16.840 1.00 40.82 C
+ATOM 6253 HA HIS B 805 67.047 79.633 17.189 1.00 0.00 H
+ATOM 6254 C HIS B 805 66.412 81.355 16.067 1.00 42.11 C
+ATOM 6255 O HIS B 805 66.799 81.246 14.944 1.00 42.34 O
+ATOM 6256 CB HIS B 805 65.395 79.111 15.899 1.00 41.05 C
+ATOM 6257 HB1 HIS B 805 64.390 79.496 15.727 1.00 0.00 H
+ATOM 6258 HB2 HIS B 805 65.941 79.089 14.956 1.00 0.00 H
+ATOM 6259 CG HIS B 805 65.270 77.700 16.392 1.00 40.83 C
+ATOM 6260 ND1 HIS B 805 64.147 77.231 17.046 1.00 46.68 N
+ATOM 6261 CD2 HIS B 805 66.090 76.633 16.248 1.00 39.68 C
+ATOM 6262 HD2 HIS B 805 67.051 76.621 15.735 1.00 0.00 H
+ATOM 6263 CE1 HIS B 805 64.314 75.951 17.346 1.00 44.27 C
+ATOM 6264 HE1 HIS B 805 63.610 75.322 17.891 1.00 0.00 H
+ATOM 6265 NE2 HIS B 805 65.487 75.572 16.867 1.00 42.54 N
+ATOM 6266 N LYS B 806 66.273 82.538 16.666 1.00 44.68 N
+ATOM 6267 H LYS B 806 65.966 82.564 17.659 1.00 0.00 H
+ATOM 6268 CA LYS B 806 66.540 83.816 15.969 1.00 48.88 C
+ATOM 6269 HA LYS B 806 65.735 83.820 15.234 1.00 0.00 H
+ATOM 6270 C LYS B 806 67.841 83.924 15.136 1.00 51.06 C
+ATOM 6271 O LYS B 806 67.868 84.516 14.034 1.00 52.65 O
+ATOM 6272 CB LYS B 806 66.438 85.025 16.898 1.00 48.53 C
+ATOM 6273 HB1 LYS B 806 66.688 85.909 16.311 1.00 0.00 H
+ATOM 6274 HB2 LYS B 806 65.402 85.093 17.231 1.00 0.00 H
+ATOM 6275 CG LYS B 806 67.308 85.040 18.127 1.00 50.95 C
+ATOM 6276 HG1 LYS B 806 67.250 84.067 18.615 1.00 0.00 H
+ATOM 6277 HG2 LYS B 806 68.338 85.235 17.830 1.00 0.00 H
+ATOM 6278 CD LYS B 806 66.847 86.156 19.148 1.00 54.85 C
+ATOM 6279 HD1 LYS B 806 66.994 85.786 20.163 1.00 0.00 H
+ATOM 6280 HD2 LYS B 806 67.458 87.046 18.995 1.00 0.00 H
+ATOM 6281 CE LYS B 806 65.320 86.546 18.962 1.00 58.55 C
+ATOM 6282 HE1 LYS B 806 64.842 85.704 18.462 1.00 0.00 H
+ATOM 6283 HE2 LYS B 806 65.298 87.416 18.306 1.00 0.00 H
+ATOM 6284 NZ LYS B 806 64.433 86.895 20.195 1.00 57.88 N
+ATOM 6285 HZ1 LYS B 806 64.402 86.080 20.840 1.00 0.00 H
+ATOM 6286 HZ2 LYS B 806 64.837 87.715 20.691 1.00 0.00 H
+ATOM 6287 HZ3 LYS B 806 63.470 87.122 19.875 1.00 0.00 H
+ATOM 6288 N ASP B 807 68.921 83.353 15.653 1.00 52.22 N
+ATOM 6289 H ASP B 807 68.842 82.796 16.528 1.00 0.00 H
+ATOM 6290 CA ASP B 807 70.222 83.501 15.002 1.00 52.66 C
+ATOM 6291 HA ASP B 807 70.421 84.524 14.684 1.00 0.00 H
+ATOM 6292 C ASP B 807 70.215 82.632 13.765 1.00 51.60 C
+ATOM 6293 O ASP B 807 71.091 82.697 12.912 1.00 52.49 O
+ATOM 6294 CB ASP B 807 71.317 83.141 16.005 1.00 53.27 C
+ATOM 6295 HB1 ASP B 807 71.292 82.066 16.184 1.00 0.00 H
+ATOM 6296 HB2 ASP B 807 72.285 83.416 15.585 1.00 0.00 H
+ATOM 6297 CG ASP B 807 71.124 83.891 17.375 1.00 57.04 C
+ATOM 6298 OD1 ASP B 807 70.606 85.050 17.357 1.00 57.34 O
+ATOM 6299 OD2 ASP B 807 71.475 83.331 18.468 1.00 60.42 O
+ATOM 6300 N ASN B 808 69.159 81.856 13.618 1.00 50.11 N
+ATOM 6301 H ASN B 808 68.374 81.884 14.300 1.00 0.00 H
+ATOM 6302 CA ASN B 808 69.126 80.963 12.477 1.00 48.83 C
+ATOM 6303 HA ASN B 808 70.002 81.218 11.880 1.00 0.00 H
+ATOM 6304 C ASN B 808 67.975 81.150 11.476 1.00 45.71 C
+ATOM 6305 O ASN B 808 67.841 80.368 10.515 1.00 45.25 O
+ATOM 6306 CB ASN B 808 69.172 79.543 12.988 1.00 50.50 C
+ATOM 6307 HB1 ASN B 808 69.311 79.561 14.069 1.00 0.00 H
+ATOM 6308 HB2 ASN B 808 68.228 79.052 12.752 1.00 0.00 H
+ATOM 6309 CG ASN B 808 70.281 78.773 12.374 1.00 55.97 C
+ATOM 6310 OD1 ASN B 808 70.162 77.543 12.169 1.00 62.73 O
+ATOM 6311 ND2 ASN B 808 71.383 79.481 12.043 1.00 58.67 N
+ATOM 6312 1HD2 ASN B 808 72.191 79.005 11.593 1.00 0.00 H
+ATOM 6313 2HD2 ASN B 808 71.423 80.502 12.238 1.00 0.00 H
+ATOM 6314 N ILE B 809 67.165 82.184 11.678 1.00 42.04 N
+ATOM 6315 H ILE B 809 67.350 82.859 12.447 1.00 0.00 H
+ATOM 6316 CA ILE B 809 66.010 82.356 10.800 1.00 40.65 C
+ATOM 6317 HA ILE B 809 65.805 81.359 10.410 1.00 0.00 H
+ATOM 6318 C ILE B 809 66.325 83.329 9.685 1.00 37.57 C
+ATOM 6319 O ILE B 809 66.639 84.480 9.945 1.00 37.44 O
+ATOM 6320 CB ILE B 809 64.730 82.850 11.523 1.00 40.57 C
+ATOM 6321 HB ILE B 809 64.802 83.921 11.712 1.00 0.00 H
+ATOM 6322 CG1 ILE B 809 64.582 82.207 12.909 1.00 40.77 C
+ATOM 6323 1HG1 ILE B 809 65.564 81.836 13.202 1.00 0.00 H
+ATOM 6324 2HG1 ILE B 809 64.270 82.991 13.599 1.00 0.00 H
+ATOM 6325 CG2 ILE B 809 63.569 82.621 10.649 1.00 41.90 C
+ATOM 6326 1HG2 ILE B 809 63.702 83.172 9.718 1.00 0.00 H
+ATOM 6327 2HG2 ILE B 809 63.483 81.556 10.433 1.00 0.00 H
+ATOM 6328 3HG2 ILE B 809 62.665 82.966 11.150 1.00 0.00 H
+ATOM 6329 CD1 ILE B 809 63.650 81.114 13.049 1.00 38.78 C
+ATOM 6330 1HD1 ILE B 809 62.649 81.455 12.784 1.00 0.00 H
+ATOM 6331 2HD1 ILE B 809 63.945 80.300 12.387 1.00 0.00 H
+ATOM 6332 3HD1 ILE B 809 63.655 80.764 14.081 1.00 0.00 H
+ATOM 6333 N GLY B 810 66.228 82.880 8.444 1.00 35.01 N
+ATOM 6334 H GLY B 810 66.022 81.877 8.261 1.00 0.00 H
+ATOM 6335 CA GLY B 810 66.413 83.808 7.340 1.00 33.31 C
+ATOM 6336 HA1 GLY B 810 67.100 84.589 7.666 1.00 0.00 H
+ATOM 6337 HA2 GLY B 810 66.856 83.261 6.508 1.00 0.00 H
+ATOM 6338 C GLY B 810 65.136 84.477 6.841 1.00 32.52 C
+ATOM 6339 O GLY B 810 64.031 84.094 7.223 1.00 33.02 O
+ATOM 6340 N SER B 811 65.296 85.444 5.931 1.00 30.82 N
+ATOM 6341 H SER B 811 66.259 85.697 5.630 1.00 0.00 H
+ATOM 6342 CA SER B 811 64.201 86.133 5.365 1.00 29.28 C
+ATOM 6343 HA SER B 811 63.610 86.548 6.182 1.00 0.00 H
+ATOM 6344 C SER B 811 63.261 85.218 4.604 1.00 29.34 C
+ATOM 6345 O SER B 811 62.053 85.454 4.604 1.00 29.85 O
+ATOM 6346 CB SER B 811 64.701 87.260 4.502 1.00 29.02 C
+ATOM 6347 HB1 SER B 811 65.307 87.942 5.098 1.00 0.00 H
+ATOM 6348 HB2 SER B 811 63.857 87.803 4.077 1.00 0.00 H
+ATOM 6349 OG SER B 811 65.466 86.716 3.489 1.00 27.29 O
+ATOM 6350 HG SER B 811 66.229 86.222 3.882 1.00 0.00 H
+ATOM 6351 N GLN B 812 63.791 84.213 3.918 1.00 29.11 N
+ATOM 6352 H GLN B 812 64.824 84.091 3.899 1.00 0.00 H
+ATOM 6353 CA GLN B 812 62.938 83.275 3.188 1.00 30.54 C
+ATOM 6354 HA GLN B 812 62.432 83.865 2.424 1.00 0.00 H
+ATOM 6355 C GLN B 812 61.873 82.606 4.112 1.00 30.66 C
+ATOM 6356 O GLN B 812 60.733 82.442 3.725 1.00 31.27 O
+ATOM 6357 CB GLN B 812 63.755 82.177 2.543 1.00 30.27 C
+ATOM 6358 HB1 GLN B 812 64.580 82.641 2.003 1.00 0.00 H
+ATOM 6359 HB2 GLN B 812 64.152 81.541 3.334 1.00 0.00 H
+ATOM 6360 CG GLN B 812 62.987 81.296 1.567 1.00 37.32 C
+ATOM 6361 HG1 GLN B 812 63.635 80.473 1.266 1.00 0.00 H
+ATOM 6362 HG2 GLN B 812 62.112 80.898 2.081 1.00 0.00 H
+ATOM 6363 CD GLN B 812 62.493 82.052 0.249 1.00 47.69 C
+ATOM 6364 OE1 GLN B 812 63.267 82.192 -0.749 1.00 48.94 O
+ATOM 6365 NE2 GLN B 812 61.193 82.501 0.242 1.00 42.98 N
+ATOM 6366 1HE2 GLN B 812 60.811 82.975 -0.601 1.00 0.00 H
+ATOM 6367 2HE2 GLN B 812 60.592 82.367 1.080 1.00 0.00 H
+ATOM 6368 N TYR B 813 62.249 82.194 5.303 1.00 30.11 N
+ATOM 6369 H TYR B 813 63.227 82.342 5.623 1.00 0.00 H
+ATOM 6370 CA TYR B 813 61.324 81.555 6.138 1.00 30.15 C
+ATOM 6371 HA TYR B 813 60.829 80.799 5.529 1.00 0.00 H
+ATOM 6372 C TYR B 813 60.331 82.537 6.705 1.00 29.39 C
+ATOM 6373 O TYR B 813 59.158 82.228 6.806 1.00 28.32 O
+ATOM 6374 CB TYR B 813 62.013 80.963 7.317 1.00 32.63 C
+ATOM 6375 HB1 TYR B 813 62.724 81.694 7.702 1.00 0.00 H
+ATOM 6376 HB2 TYR B 813 61.265 80.749 8.080 1.00 0.00 H
+ATOM 6377 CG TYR B 813 62.743 79.716 7.019 1.00 37.52 C
+ATOM 6378 CD1 TYR B 813 62.102 78.528 7.045 1.00 43.88 C
+ATOM 6379 HD1 TYR B 813 61.034 78.504 7.262 1.00 0.00 H
+ATOM 6380 CD2 TYR B 813 64.123 79.737 6.771 1.00 46.57 C
+ATOM 6381 HD2 TYR B 813 64.661 80.685 6.786 1.00 0.00 H
+ATOM 6382 CE1 TYR B 813 62.767 77.346 6.803 1.00 48.52 C
+ATOM 6383 HE1 TYR B 813 62.233 76.396 6.818 1.00 0.00 H
+ATOM 6384 CE2 TYR B 813 64.793 78.588 6.513 1.00 51.69 C
+ATOM 6385 HE2 TYR B 813 65.859 78.608 6.284 1.00 0.00 H
+ATOM 6386 CZ TYR B 813 64.100 77.385 6.545 1.00 51.62 C
+ATOM 6387 OH TYR B 813 64.746 76.191 6.304 1.00 56.91 O
+ATOM 6388 HH TYR B 813 64.096 75.447 6.369 1.00 0.00 H
+ATOM 6389 N LEU B 814 60.807 83.689 7.151 1.00 27.31 N
+ATOM 6390 H LEU B 814 61.829 83.883 7.135 1.00 0.00 H
+ATOM 6391 CA LEU B 814 59.882 84.665 7.657 1.00 27.10 C
+ATOM 6392 HA LEU B 814 59.400 84.252 8.543 1.00 0.00 H
+ATOM 6393 C LEU B 814 58.748 84.972 6.622 1.00 26.87 C
+ATOM 6394 O LEU B 814 57.577 85.028 6.952 1.00 27.09 O
+ATOM 6395 CB LEU B 814 60.626 85.936 8.063 1.00 25.36 C
+ATOM 6396 HB1 LEU B 814 61.343 86.189 7.282 1.00 0.00 H
+ATOM 6397 HB2 LEU B 814 59.905 86.747 8.169 1.00 0.00 H
+ATOM 6398 CG LEU B 814 61.373 85.766 9.380 1.00 26.29 C
+ATOM 6399 HG LEU B 814 61.929 84.829 9.341 1.00 0.00 H
+ATOM 6400 CD1 LEU B 814 62.264 86.972 9.547 1.00 26.44 C
+ATOM 6401 1HD1 LEU B 814 62.964 87.024 8.713 1.00 0.00 H
+ATOM 6402 2HD1 LEU B 814 61.652 87.874 9.566 1.00 0.00 H
+ATOM 6403 3HD1 LEU B 814 62.817 86.887 10.482 1.00 0.00 H
+ATOM 6404 CD2 LEU B 814 60.425 85.689 10.604 1.00 25.38 C
+ATOM 6405 1HD2 LEU B 814 59.841 86.607 10.668 1.00 0.00 H
+ATOM 6406 2HD2 LEU B 814 59.754 84.838 10.489 1.00 0.00 H
+ATOM 6407 3HD2 LEU B 814 61.015 85.568 11.512 1.00 0.00 H
+ATOM 6408 N LEU B 815 59.111 85.147 5.372 1.00 26.44 N
+ATOM 6409 H LEU B 815 60.105 85.000 5.105 1.00 0.00 H
+ATOM 6410 CA LEU B 815 58.170 85.534 4.375 1.00 26.79 C
+ATOM 6411 HA LEU B 815 57.518 86.325 4.746 1.00 0.00 H
+ATOM 6412 C LEU B 815 57.276 84.335 4.032 1.00 26.97 C
+ATOM 6413 O LEU B 815 56.081 84.534 3.808 1.00 28.66 O
+ATOM 6414 CB LEU B 815 58.908 86.117 3.152 1.00 25.71 C
+ATOM 6415 HB1 LEU B 815 59.695 85.423 2.857 1.00 0.00 H
+ATOM 6416 HB2 LEU B 815 58.195 86.224 2.334 1.00 0.00 H
+ATOM 6417 CG LEU B 815 59.547 87.499 3.436 1.00 25.61 C
+ATOM 6418 HG LEU B 815 60.144 87.333 4.333 1.00 0.00 H
+ATOM 6419 CD1 LEU B 815 60.477 87.984 2.284 1.00 20.13 C
+ATOM 6420 1HD1 LEU B 815 61.285 87.266 2.144 1.00 0.00 H
+ATOM 6421 2HD1 LEU B 815 59.900 88.067 1.363 1.00 0.00 H
+ATOM 6422 3HD1 LEU B 815 60.895 88.957 2.541 1.00 0.00 H
+ATOM 6423 CD2 LEU B 815 58.498 88.620 3.736 1.00 21.96 C
+ATOM 6424 1HD2 LEU B 815 57.836 88.735 2.878 1.00 0.00 H
+ATOM 6425 2HD2 LEU B 815 57.913 88.343 4.613 1.00 0.00 H
+ATOM 6426 3HD2 LEU B 815 59.017 89.560 3.925 1.00 0.00 H
+ATOM 6427 N ASN B 816 57.822 83.115 3.982 1.00 25.65 N
+ATOM 6428 H ASN B 816 58.850 83.005 4.093 1.00 0.00 H
+ATOM 6429 CA ASN B 816 56.996 81.951 3.776 1.00 25.54 C
+ATOM 6430 HA ASN B 816 56.453 82.119 2.846 1.00 0.00 H
+ATOM 6431 C ASN B 816 55.967 81.790 4.896 1.00 24.07 C
+ATOM 6432 O ASN B 816 54.800 81.513 4.609 1.00 23.58 O
+ATOM 6433 CB ASN B 816 57.794 80.698 3.575 1.00 25.27 C
+ATOM 6434 HB1 ASN B 816 58.500 80.591 4.399 1.00 0.00 H
+ATOM 6435 HB2 ASN B 816 57.117 79.844 3.565 1.00 0.00 H
+ATOM 6436 CG ASN B 816 58.587 80.737 2.225 1.00 36.60 C
+ATOM 6437 OD1 ASN B 816 59.538 79.916 1.974 1.00 41.14 O
+ATOM 6438 ND2 ASN B 816 58.219 81.695 1.357 1.00 37.38 N
+ATOM 6439 1HD2 ASN B 816 58.712 81.788 0.446 1.00 0.00 H
+ATOM 6440 2HD2 ASN B 816 57.442 82.343 1.597 1.00 0.00 H
+ATOM 6441 N TRP B 817 56.359 81.978 6.146 1.00 21.25 N
+ATOM 6442 H TRP B 817 57.348 82.219 6.358 1.00 0.00 H
+ATOM 6443 CA TRP B 817 55.398 81.844 7.207 1.00 21.60 C
+ATOM 6444 HA TRP B 817 54.985 80.836 7.178 1.00 0.00 H
+ATOM 6445 C TRP B 817 54.243 82.885 7.002 1.00 22.38 C
+ATOM 6446 O TRP B 817 53.071 82.522 7.080 1.00 23.82 O
+ATOM 6447 CB TRP B 817 56.038 82.032 8.540 1.00 18.89 C
+ATOM 6448 HB1 TRP B 817 56.538 83.001 8.555 1.00 0.00 H
+ATOM 6449 HB2 TRP B 817 55.263 82.012 9.306 1.00 0.00 H
+ATOM 6450 CG TRP B 817 57.005 81.008 8.834 1.00 21.50 C
+ATOM 6451 CD1 TRP B 817 57.038 79.730 8.345 1.00 25.40 C
+ATOM 6452 HD1 TRP B 817 56.341 79.322 7.613 1.00 0.00 H
+ATOM 6453 CD2 TRP B 817 58.139 81.127 9.697 1.00 20.12 C
+ATOM 6454 NE1 TRP B 817 58.084 79.034 8.916 1.00 22.03 N
+ATOM 6455 HE1 TRP B 817 58.298 78.027 8.771 1.00 0.00 H
+ATOM 6456 CE2 TRP B 817 58.791 79.900 9.706 1.00 22.50 C
+ATOM 6457 CE3 TRP B 817 58.679 82.181 10.438 1.00 23.98 C
+ATOM 6458 HE3 TRP B 817 58.203 83.162 10.434 1.00 0.00 H
+ATOM 6459 CZ2 TRP B 817 59.958 79.688 10.431 1.00 26.22 C
+ATOM 6460 HZ2 TRP B 817 60.462 78.722 10.413 1.00 0.00 H
+ATOM 6461 CZ3 TRP B 817 59.818 81.962 11.171 1.00 26.97 C
+ATOM 6462 HZ3 TRP B 817 60.233 82.773 11.769 1.00 0.00 H
+ATOM 6463 CH2 TRP B 817 60.453 80.725 11.165 1.00 23.26 C
+ATOM 6464 HH2 TRP B 817 61.358 80.582 11.755 1.00 0.00 H
+ATOM 6465 N CYS B 818 54.553 84.126 6.660 1.00 20.81 N
+ATOM 6466 H CYS B 818 55.552 84.407 6.587 1.00 0.00 H
+ATOM 6467 CA CYS B 818 53.523 85.085 6.389 1.00 21.49 C
+ATOM 6468 HA CYS B 818 52.948 85.179 7.310 1.00 0.00 H
+ATOM 6469 C CYS B 818 52.602 84.624 5.261 1.00 20.87 C
+ATOM 6470 O CYS B 818 51.397 84.858 5.335 1.00 21.26 O
+ATOM 6471 CB CYS B 818 54.112 86.454 6.005 1.00 22.70 C
+ATOM 6472 HB1 CYS B 818 53.290 87.144 5.816 1.00 0.00 H
+ATOM 6473 HB2 CYS B 818 54.701 86.335 5.096 1.00 0.00 H
+ATOM 6474 SG CYS B 818 55.127 87.130 7.234 1.00 29.15 S
+ATOM 6475 HG CYS B 818 56.183 86.275 7.478 1.00 0.00 H
+ATOM 6476 N VAL B 819 53.136 84.023 4.207 1.00 19.16 N
+ATOM 6477 H VAL B 819 54.161 83.857 4.158 1.00 0.00 H
+ATOM 6478 CA VAL B 819 52.261 83.596 3.111 1.00 20.70 C
+ATOM 6479 HA VAL B 819 51.653 84.441 2.788 1.00 0.00 H
+ATOM 6480 C VAL B 819 51.347 82.460 3.594 1.00 22.31 C
+ATOM 6481 O VAL B 819 50.132 82.510 3.369 1.00 24.83 O
+ATOM 6482 CB VAL B 819 53.114 83.097 1.933 1.00 21.23 C
+ATOM 6483 HB VAL B 819 53.850 82.401 2.335 1.00 0.00 H
+ATOM 6484 CG1 VAL B 819 52.325 82.326 0.936 1.00 18.09 C
+ATOM 6485 1HG1 VAL B 819 51.882 81.455 1.420 1.00 0.00 H
+ATOM 6486 2HG1 VAL B 819 51.535 82.959 0.531 1.00 0.00 H
+ATOM 6487 3HG1 VAL B 819 52.981 82.000 0.129 1.00 0.00 H
+ATOM 6488 CG2 VAL B 819 53.853 84.275 1.278 1.00 23.81 C
+ATOM 6489 1HG2 VAL B 819 53.126 85.000 0.912 1.00 0.00 H
+ATOM 6490 2HG2 VAL B 819 54.502 84.750 2.014 1.00 0.00 H
+ATOM 6491 3HG2 VAL B 819 54.453 83.908 0.445 1.00 0.00 H
+ATOM 6492 N GLN B 820 51.907 81.490 4.332 1.00 21.98 N
+ATOM 6493 H GLN B 820 52.908 81.584 4.599 1.00 0.00 H
+ATOM 6494 CA GLN B 820 51.175 80.308 4.777 1.00 22.54 C
+ATOM 6495 HA GLN B 820 50.735 79.867 3.883 1.00 0.00 H
+ATOM 6496 C GLN B 820 50.038 80.665 5.740 1.00 22.76 C
+ATOM 6497 O GLN B 820 48.922 80.132 5.622 1.00 22.17 O
+ATOM 6498 CB GLN B 820 52.102 79.272 5.417 1.00 21.78 C
+ATOM 6499 HB1 GLN B 820 52.726 79.764 6.163 1.00 0.00 H
+ATOM 6500 HB2 GLN B 820 51.499 78.503 5.899 1.00 0.00 H
+ATOM 6501 CG GLN B 820 52.980 78.633 4.389 1.00 19.33 C
+ATOM 6502 HG1 GLN B 820 52.346 78.123 3.664 1.00 0.00 H
+ATOM 6503 HG2 GLN B 820 53.548 79.416 3.886 1.00 0.00 H
+ATOM 6504 CD GLN B 820 53.962 77.621 4.966 1.00 22.98 C
+ATOM 6505 OE1 GLN B 820 54.898 77.317 4.324 1.00 27.77 O
+ATOM 6506 NE2 GLN B 820 53.752 77.112 6.184 1.00 21.63 N
+ATOM 6507 1HE2 GLN B 820 54.426 76.429 6.585 1.00 0.00 H
+ATOM 6508 2HE2 GLN B 820 52.915 77.399 6.730 1.00 0.00 H
+ATOM 6509 N ILE B 821 50.336 81.587 6.649 1.00 22.35 N
+ATOM 6510 H ILE B 821 51.297 81.985 6.673 1.00 0.00 H
+ATOM 6511 CA ILE B 821 49.365 82.046 7.596 1.00 22.57 C
+ATOM 6512 HA ILE B 821 48.923 81.168 8.067 1.00 0.00 H
+ATOM 6513 C ILE B 821 48.242 82.829 6.902 1.00 24.06 C
+ATOM 6514 O ILE B 821 47.062 82.674 7.250 1.00 24.57 O
+ATOM 6515 CB ILE B 821 50.023 82.898 8.697 1.00 22.99 C
+ATOM 6516 HB ILE B 821 50.627 83.664 8.210 1.00 0.00 H
+ATOM 6517 CG1 ILE B 821 50.944 82.053 9.579 1.00 20.32 C
+ATOM 6518 1HG1 ILE B 821 50.347 81.556 10.344 1.00 0.00 H
+ATOM 6519 2HG1 ILE B 821 51.439 81.303 8.962 1.00 0.00 H
+ATOM 6520 CG2 ILE B 821 48.935 83.578 9.570 1.00 17.67 C
+ATOM 6521 1HG2 ILE B 821 48.317 84.220 8.943 1.00 0.00 H
+ATOM 6522 2HG2 ILE B 821 48.313 82.813 10.034 1.00 0.00 H
+ATOM 6523 3HG2 ILE B 821 49.414 84.177 10.344 1.00 0.00 H
+ATOM 6524 CD1 ILE B 821 52.029 82.939 10.274 1.00 21.34 C
+ATOM 6525 1HD1 ILE B 821 52.633 83.435 9.514 1.00 0.00 H
+ATOM 6526 2HD1 ILE B 821 51.540 83.688 10.897 1.00 0.00 H
+ATOM 6527 3HD1 ILE B 821 52.668 82.310 10.894 1.00 0.00 H
+ATOM 6528 N ALA B 822 48.587 83.627 5.875 1.00 24.81 N
+ATOM 6529 H ALA B 822 49.585 83.721 5.598 1.00 0.00 H
+ATOM 6530 CA ALA B 822 47.544 84.365 5.146 1.00 23.61 C
+ATOM 6531 HA ALA B 822 46.914 84.900 5.857 1.00 0.00 H
+ATOM 6532 C ALA B 822 46.675 83.353 4.362 1.00 22.91 C
+ATOM 6533 O ALA B 822 45.483 83.555 4.260 1.00 23.24 O
+ATOM 6534 CB ALA B 822 48.147 85.425 4.229 1.00 21.23 C
+ATOM 6535 HB1 ALA B 822 48.721 86.135 4.825 1.00 0.00 H
+ATOM 6536 HB2 ALA B 822 48.803 84.945 3.503 1.00 0.00 H
+ATOM 6537 HB3 ALA B 822 47.347 85.950 3.707 1.00 0.00 H
+ATOM 6538 N LYS B 823 47.281 82.294 3.826 1.00 21.80 N
+ATOM 6539 H LYS B 823 48.317 82.220 3.881 1.00 0.00 H
+ATOM 6540 CA LYS B 823 46.514 81.222 3.155 1.00 22.54 C
+ATOM 6541 HA LYS B 823 45.974 81.720 2.350 1.00 0.00 H
+ATOM 6542 C LYS B 823 45.533 80.532 4.133 1.00 22.15 C
+ATOM 6543 O LYS B 823 44.353 80.395 3.825 1.00 23.19 O
+ATOM 6544 CB LYS B 823 47.419 80.121 2.562 1.00 21.45 C
+ATOM 6545 HB1 LYS B 823 48.136 79.825 3.327 1.00 0.00 H
+ATOM 6546 HB2 LYS B 823 46.790 79.268 2.306 1.00 0.00 H
+ATOM 6547 CG LYS B 823 48.200 80.526 1.312 1.00 21.60 C
+ATOM 6548 HG1 LYS B 823 47.490 80.904 0.576 1.00 0.00 H
+ATOM 6549 HG2 LYS B 823 48.893 81.321 1.588 1.00 0.00 H
+ATOM 6550 CD LYS B 823 49.002 79.400 0.664 1.00 16.24 C
+ATOM 6551 HD1 LYS B 823 49.806 79.082 1.327 1.00 0.00 H
+ATOM 6552 HD2 LYS B 823 48.352 78.551 0.450 1.00 0.00 H
+ATOM 6553 CE LYS B 823 49.565 79.945 -0.598 1.00 20.18 C
+ATOM 6554 HE1 LYS B 823 50.171 80.823 -0.374 1.00 0.00 H
+ATOM 6555 HE2 LYS B 823 48.750 80.228 -1.264 1.00 0.00 H
+ATOM 6556 NZ LYS B 823 50.398 78.934 -1.252 1.00 20.45 N
+ATOM 6557 HZ1 LYS B 823 51.177 78.665 -0.617 1.00 0.00 H
+ATOM 6558 HZ2 LYS B 823 49.820 78.097 -1.468 1.00 0.00 H
+ATOM 6559 HZ3 LYS B 823 50.787 79.325 -2.134 1.00 0.00 H
+ATOM 6560 N GLY B 824 46.005 80.090 5.276 1.00 20.89 N
+ATOM 6561 H GLY B 824 47.027 80.126 5.468 1.00 0.00 H
+ATOM 6562 CA GLY B 824 45.114 79.561 6.252 1.00 21.63 C
+ATOM 6563 HA1 GLY B 824 44.672 78.642 5.867 1.00 0.00 H
+ATOM 6564 HA2 GLY B 824 45.674 79.341 7.161 1.00 0.00 H
+ATOM 6565 C GLY B 824 44.010 80.537 6.580 1.00 23.26 C
+ATOM 6566 O GLY B 824 42.833 80.147 6.628 1.00 24.54 O
+ATOM 6567 N MET B 825 44.346 81.814 6.801 1.00 23.09 N
+ATOM 6568 H MET B 825 45.337 82.114 6.708 1.00 0.00 H
+ATOM 6569 CA MET B 825 43.322 82.785 7.173 1.00 23.01 C
+ATOM 6570 HA MET B 825 42.755 82.343 7.993 1.00 0.00 H
+ATOM 6571 C MET B 825 42.358 83.046 6.040 1.00 22.93 C
+ATOM 6572 O MET B 825 41.157 83.129 6.284 1.00 22.28 O
+ATOM 6573 CB MET B 825 43.926 84.075 7.681 1.00 22.33 C
+ATOM 6574 HB1 MET B 825 44.630 84.460 6.943 1.00 0.00 H
+ATOM 6575 HB2 MET B 825 43.134 84.806 7.841 1.00 0.00 H
+ATOM 6576 CG MET B 825 44.642 83.832 8.967 1.00 22.57 C
+ATOM 6577 HG1 MET B 825 45.150 84.758 9.237 1.00 0.00 H
+ATOM 6578 HG2 MET B 825 45.382 83.053 8.785 1.00 0.00 H
+ATOM 6579 SD MET B 825 43.654 83.316 10.405 1.00 27.35 S
+ATOM 6580 CE MET B 825 42.380 84.514 10.502 1.00 21.53 C
+ATOM 6581 HE1 MET B 825 42.821 85.501 10.641 1.00 0.00 H
+ATOM 6582 HE2 MET B 825 41.799 84.500 9.580 1.00 0.00 H
+ATOM 6583 HE3 MET B 825 41.730 84.283 11.346 1.00 0.00 H
+ATOM 6584 N ASN B 826 42.853 83.112 4.811 1.00 22.32 N
+ATOM 6585 H ASN B 826 43.880 83.069 4.654 1.00 0.00 H
+ATOM 6586 CA ASN B 826 41.938 83.246 3.683 1.00 24.49 C
+ATOM 6587 HA ASN B 826 41.369 84.160 3.851 1.00 0.00 H
+ATOM 6588 C ASN B 826 40.949 82.022 3.576 1.00 26.87 C
+ATOM 6589 O ASN B 826 39.797 82.154 3.154 1.00 26.74 O
+ATOM 6590 CB ASN B 826 42.714 83.309 2.389 1.00 24.09 C
+ATOM 6591 HB1 ASN B 826 43.429 84.130 2.451 1.00 0.00 H
+ATOM 6592 HB2 ASN B 826 43.251 82.370 2.259 1.00 0.00 H
+ATOM 6593 CG ASN B 826 41.806 83.535 1.157 1.00 23.70 C
+ATOM 6594 OD1 ASN B 826 41.264 84.626 0.943 1.00 24.05 O
+ATOM 6595 ND2 ASN B 826 41.742 82.556 0.310 1.00 15.86 N
+ATOM 6596 1HD2 ASN B 826 41.222 82.674 -0.583 1.00 0.00 H
+ATOM 6597 2HD2 ASN B 826 42.210 81.652 0.524 1.00 0.00 H
+ATOM 6598 N TYR B 827 41.456 80.817 3.864 1.00 27.00 N
+ATOM 6599 H TYR B 827 42.463 80.727 4.107 1.00 0.00 H
+ATOM 6600 CA TYR B 827 40.641 79.671 3.841 1.00 27.40 C
+ATOM 6601 HA TYR B 827 40.154 79.591 2.869 1.00 0.00 H
+ATOM 6602 C TYR B 827 39.513 79.785 4.957 1.00 29.22 C
+ATOM 6603 O TYR B 827 38.373 79.507 4.670 1.00 26.67 O
+ATOM 6604 CB TYR B 827 41.495 78.430 4.059 1.00 27.29 C
+ATOM 6605 HB1 TYR B 827 42.058 78.213 3.151 1.00 0.00 H
+ATOM 6606 HB2 TYR B 827 42.188 78.607 4.881 1.00 0.00 H
+ATOM 6607 CG TYR B 827 40.630 77.281 4.386 1.00 22.84 C
+ATOM 6608 CD1 TYR B 827 39.992 76.540 3.362 1.00 18.82 C
+ATOM 6609 HD1 TYR B 827 40.134 76.822 2.319 1.00 0.00 H
+ATOM 6610 CD2 TYR B 827 40.382 76.968 5.731 1.00 20.39 C
+ATOM 6611 HD2 TYR B 827 40.835 77.578 6.512 1.00 0.00 H
+ATOM 6612 CE1 TYR B 827 39.151 75.409 3.696 1.00 19.19 C
+ATOM 6613 HE1 TYR B 827 38.710 74.790 2.915 1.00 0.00 H
+ATOM 6614 CE2 TYR B 827 39.556 75.877 6.096 1.00 20.53 C
+ATOM 6615 HE2 TYR B 827 39.416 75.618 7.146 1.00 0.00 H
+ATOM 6616 CZ TYR B 827 38.914 75.126 5.082 1.00 23.81 C
+ATOM 6617 OH TYR B 827 38.087 74.105 5.487 1.00 27.23 O
+ATOM 6618 HH TYR B 827 37.701 73.659 4.692 1.00 0.00 H
+ATOM 6619 N LEU B 828 39.864 80.195 6.186 1.00 30.69 N
+ATOM 6620 H LEU B 828 40.872 80.358 6.385 1.00 0.00 H
+ATOM 6621 CA LEU B 828 38.891 80.424 7.263 1.00 32.09 C
+ATOM 6622 HA LEU B 828 38.392 79.479 7.475 1.00 0.00 H
+ATOM 6623 C LEU B 828 37.821 81.442 6.822 1.00 34.23 C
+ATOM 6624 O LEU B 828 36.650 81.317 7.168 1.00 33.81 O
+ATOM 6625 CB LEU B 828 39.590 80.879 8.553 1.00 30.57 C
+ATOM 6626 HB1 LEU B 828 40.172 81.771 8.321 1.00 0.00 H
+ATOM 6627 HB2 LEU B 828 38.818 81.129 9.281 1.00 0.00 H
+ATOM 6628 CG LEU B 828 40.548 79.841 9.209 1.00 30.02 C
+ATOM 6629 HG LEU B 828 41.341 79.701 8.474 1.00 0.00 H
+ATOM 6630 CD1 LEU B 828 41.075 80.326 10.518 1.00 28.56 C
+ATOM 6631 1HD1 LEU B 828 41.626 81.254 10.365 1.00 0.00 H
+ATOM 6632 2HD1 LEU B 828 40.243 80.504 11.199 1.00 0.00 H
+ATOM 6633 3HD1 LEU B 828 41.739 79.573 10.942 1.00 0.00 H
+ATOM 6634 CD2 LEU B 828 39.877 78.573 9.518 1.00 28.27 C
+ATOM 6635 1HD2 LEU B 828 39.056 78.757 10.211 1.00 0.00 H
+ATOM 6636 2HD2 LEU B 828 39.487 78.136 8.599 1.00 0.00 H
+ATOM 6637 3HD2 LEU B 828 40.591 77.887 9.973 1.00 0.00 H
+ATOM 6638 N GLU B 829 38.234 82.409 6.005 1.00 36.65 N
+ATOM 6639 H GLU B 829 39.212 82.390 5.651 1.00 0.00 H
+ATOM 6640 CA GLU B 829 37.362 83.481 5.598 1.00 38.13 C
+ATOM 6641 HA GLU B 829 36.845 83.875 6.473 1.00 0.00 H
+ATOM 6642 C GLU B 829 36.401 82.927 4.611 1.00 38.16 C
+ATOM 6643 O GLU B 829 35.225 83.168 4.696 1.00 40.34 O
+ATOM 6644 CB GLU B 829 38.141 84.662 4.978 1.00 39.08 C
+ATOM 6645 HB1 GLU B 829 38.725 85.151 5.758 1.00 0.00 H
+ATOM 6646 HB2 GLU B 829 38.812 84.280 4.209 1.00 0.00 H
+ATOM 6647 CG GLU B 829 37.203 85.677 4.354 1.00 39.87 C
+ATOM 6648 HG1 GLU B 829 36.825 85.248 3.426 1.00 0.00 H
+ATOM 6649 HG2 GLU B 829 36.375 85.829 5.047 1.00 0.00 H
+ATOM 6650 CD GLU B 829 37.792 87.067 4.019 1.00 46.00 C
+ATOM 6651 OE1 GLU B 829 36.999 87.850 3.421 1.00 46.89 O
+ATOM 6652 OE2 GLU B 829 38.999 87.391 4.272 1.00 46.59 O
+ATOM 6653 N ASP B 830 36.885 82.192 3.651 1.00 37.95 N
+ATOM 6654 H ASP B 830 37.911 82.157 3.485 1.00 0.00 H
+ATOM 6655 CA ASP B 830 35.989 81.428 2.821 1.00 38.42 C
+ATOM 6656 HA ASP B 830 35.384 82.156 2.280 1.00 0.00 H
+ATOM 6657 C ASP B 830 34.946 80.555 3.576 1.00 37.84 C
+ATOM 6658 O ASP B 830 33.837 80.434 3.118 1.00 38.27 O
+ATOM 6659 CB ASP B 830 36.815 80.569 1.885 1.00 38.39 C
+ATOM 6660 HB1 ASP B 830 37.706 80.226 2.411 1.00 0.00 H
+ATOM 6661 HB2 ASP B 830 36.222 79.708 1.577 1.00 0.00 H
+ATOM 6662 CG ASP B 830 37.228 81.329 0.678 1.00 41.44 C
+ATOM 6663 OD1 ASP B 830 38.219 80.968 0.033 1.00 44.58 O
+ATOM 6664 OD2 ASP B 830 36.532 82.322 0.361 1.00 48.40 O
+ATOM 6665 N ARG B 831 35.313 79.981 4.712 1.00 36.47 N
+ATOM 6666 H ARG B 831 36.274 80.160 5.066 1.00 0.00 H
+ATOM 6667 CA ARG B 831 34.450 79.121 5.484 1.00 37.23 C
+ATOM 6668 HA ARG B 831 33.824 78.536 4.810 1.00 0.00 H
+ATOM 6669 C ARG B 831 33.608 79.990 6.381 1.00 37.21 C
+ATOM 6670 O ARG B 831 32.949 79.490 7.266 1.00 37.30 O
+ATOM 6671 CB ARG B 831 35.279 78.126 6.348 1.00 36.65 C
+ATOM 6672 HB1 ARG B 831 36.052 78.680 6.881 1.00 0.00 H
+ATOM 6673 HB2 ARG B 831 34.616 77.646 7.068 1.00 0.00 H
+ATOM 6674 CG ARG B 831 35.931 77.069 5.506 1.00 39.92 C
+ATOM 6675 HG1 ARG B 831 36.536 77.544 4.734 1.00 0.00 H
+ATOM 6676 HG2 ARG B 831 36.569 76.448 6.135 1.00 0.00 H
+ATOM 6677 CD ARG B 831 34.858 76.191 4.845 1.00 51.72 C
+ATOM 6678 HD1 ARG B 831 35.199 75.908 3.849 1.00 0.00 H
+ATOM 6679 HD2 ARG B 831 33.935 76.764 4.762 1.00 0.00 H
+ATOM 6680 NE ARG B 831 34.590 74.959 5.630 1.00 58.95 N
+ATOM 6681 HE ARG B 831 35.159 74.120 5.399 1.00 0.00 H
+ATOM 6682 CZ ARG B 831 33.682 74.828 6.609 1.00 62.67 C
+ATOM 6683 NH1 ARG B 831 32.888 75.837 6.987 1.00 64.58 N
+ATOM 6684 1HH1 ARG B 831 32.963 76.762 6.517 1.00 0.00 H
+ATOM 6685 2HH1 ARG B 831 32.196 75.696 7.751 1.00 0.00 H
+ATOM 6686 NH2 ARG B 831 33.554 73.653 7.221 1.00 64.47 N
+ATOM 6687 1HH2 ARG B 831 34.154 72.852 6.939 1.00 0.00 H
+ATOM 6688 2HH2 ARG B 831 32.854 73.536 7.982 1.00 0.00 H
+ATOM 6689 N ARG B 832 33.690 81.305 6.191 1.00 37.25 N
+ATOM 6690 H ARG B 832 34.274 81.658 5.406 1.00 0.00 H
+ATOM 6691 CA ARG B 832 32.986 82.288 7.048 1.00 37.12 C
+ATOM 6692 HA ARG B 832 33.385 83.268 6.786 1.00 0.00 H
+ATOM 6693 C ARG B 832 33.264 82.044 8.508 1.00 35.91 C
+ATOM 6694 O ARG B 832 32.389 82.109 9.354 1.00 36.21 O
+ATOM 6695 CB ARG B 832 31.477 82.332 6.774 1.00 37.77 C
+ATOM 6696 HB1 ARG B 832 31.003 81.505 7.304 1.00 0.00 H
+ATOM 6697 HB2 ARG B 832 31.083 83.276 7.150 1.00 0.00 H
+ATOM 6698 CG ARG B 832 31.128 82.216 5.256 1.00 42.98 C
+ATOM 6699 HG1 ARG B 832 31.928 82.688 4.685 1.00 0.00 H
+ATOM 6700 HG2 ARG B 832 31.074 81.158 4.998 1.00 0.00 H
+ATOM 6701 CD ARG B 832 29.809 82.871 4.859 1.00 53.48 C
+ATOM 6702 HD1 ARG B 832 29.450 82.381 3.954 1.00 0.00 H
+ATOM 6703 HD2 ARG B 832 30.007 83.922 4.648 1.00 0.00 H
+ATOM 6704 NE ARG B 832 28.733 82.805 5.869 1.00 60.05 N
+ATOM 6705 HE ARG B 832 28.279 81.883 6.030 1.00 0.00 H
+ATOM 6706 CZ ARG B 832 28.296 83.853 6.598 1.00 65.97 C
+ATOM 6707 NH1 ARG B 832 28.811 85.097 6.479 1.00 64.51 N
+ATOM 6708 1HH1 ARG B 832 29.579 85.279 5.802 1.00 0.00 H
+ATOM 6709 2HH1 ARG B 832 28.439 85.872 7.064 1.00 0.00 H
+ATOM 6710 NH2 ARG B 832 27.282 83.668 7.447 1.00 69.85 N
+ATOM 6711 1HH2 ARG B 832 26.844 82.729 7.537 1.00 0.00 H
+ATOM 6712 2HH2 ARG B 832 26.930 84.463 8.018 1.00 0.00 H
+ATOM 6713 N LEU B 833 34.520 81.796 8.805 1.00 34.08 N
+ATOM 6714 H LEU B 833 35.221 81.700 8.043 1.00 0.00 H
+ATOM 6715 CA LEU B 833 34.925 81.659 10.155 1.00 33.15 C
+ATOM 6716 HA LEU B 833 34.055 81.683 10.811 1.00 0.00 H
+ATOM 6717 C LEU B 833 35.843 82.787 10.602 1.00 31.54 C
+ATOM 6718 O LEU B 833 36.850 82.992 9.976 1.00 32.53 O
+ATOM 6719 CB LEU B 833 35.697 80.347 10.213 1.00 33.67 C
+ATOM 6720 HB1 LEU B 833 35.174 79.628 9.582 1.00 0.00 H
+ATOM 6721 HB2 LEU B 833 36.691 80.531 9.805 1.00 0.00 H
+ATOM 6722 CG LEU B 833 35.870 79.725 11.557 1.00 36.25 C
+ATOM 6723 HG LEU B 833 35.064 79.940 12.259 1.00 0.00 H
+ATOM 6724 CD1 LEU B 833 35.938 78.266 11.310 1.00 39.85 C
+ATOM 6725 1HD1 LEU B 833 35.015 77.936 10.833 1.00 0.00 H
+ATOM 6726 2HD1 LEU B 833 36.784 78.048 10.657 1.00 0.00 H
+ATOM 6727 3HD1 LEU B 833 36.065 77.744 12.258 1.00 0.00 H
+ATOM 6728 CD2 LEU B 833 37.188 80.287 12.169 1.00 43.19 C
+ATOM 6729 1HD2 LEU B 833 38.026 80.032 11.520 1.00 0.00 H
+ATOM 6730 2HD2 LEU B 833 37.113 81.371 12.258 1.00 0.00 H
+ATOM 6731 3HD2 LEU B 833 37.344 79.850 13.155 1.00 0.00 H
+ATOM 6732 N VAL B 834 35.526 83.444 11.710 1.00 29.57 N
+ATOM 6733 H VAL B 834 34.625 83.197 12.167 1.00 0.00 H
+ATOM 6734 CA VAL B 834 36.300 84.442 12.318 1.00 28.55 C
+ATOM 6735 HA VAL B 834 36.983 84.855 11.575 1.00 0.00 H
+ATOM 6736 C VAL B 834 37.036 83.838 13.476 1.00 30.01 C
+ATOM 6737 O VAL B 834 36.410 83.311 14.418 1.00 32.04 O
+ATOM 6738 CB VAL B 834 35.403 85.552 12.877 1.00 29.51 C
+ATOM 6739 HB VAL B 834 34.779 85.078 13.635 1.00 0.00 H
+ATOM 6740 CG1 VAL B 834 36.211 86.727 13.472 1.00 30.95 C
+ATOM 6741 1HG1 VAL B 834 36.837 86.361 14.286 1.00 0.00 H
+ATOM 6742 2HG1 VAL B 834 36.840 87.163 12.696 1.00 0.00 H
+ATOM 6743 3HG1 VAL B 834 35.524 87.483 13.853 1.00 0.00 H
+ATOM 6744 CG2 VAL B 834 34.648 86.183 11.752 1.00 30.52 C
+ATOM 6745 1HG2 VAL B 834 35.352 86.606 11.035 1.00 0.00 H
+ATOM 6746 2HG2 VAL B 834 34.035 85.428 11.259 1.00 0.00 H
+ATOM 6747 3HG2 VAL B 834 34.008 86.974 12.144 1.00 0.00 H
+ATOM 6748 N HIS B 835 38.368 83.969 13.466 1.00 28.61 N
+ATOM 6749 H HIS B 835 38.806 84.610 12.774 1.00 0.00 H
+ATOM 6750 CA HIS B 835 39.215 83.249 14.386 1.00 27.39 C
+ATOM 6751 HA HIS B 835 38.811 82.246 14.526 1.00 0.00 H
+ATOM 6752 C HIS B 835 39.236 83.915 15.781 1.00 28.66 C
+ATOM 6753 O HIS B 835 39.142 83.210 16.823 1.00 26.46 O
+ATOM 6754 CB HIS B 835 40.638 83.145 13.791 1.00 26.41 C
+ATOM 6755 HB1 HIS B 835 40.565 82.687 12.805 1.00 0.00 H
+ATOM 6756 HB2 HIS B 835 41.043 84.152 13.693 1.00 0.00 H
+ATOM 6757 CG HIS B 835 41.590 82.331 14.621 1.00 22.39 C
+ATOM 6758 ND1 HIS B 835 42.062 82.751 15.844 1.00 21.80 N
+ATOM 6759 CD2 HIS B 835 42.151 81.123 14.412 1.00 21.50 C
+ATOM 6760 HD2 HIS B 835 42.013 80.493 13.533 1.00 0.00 H
+ATOM 6761 CE1 HIS B 835 42.858 81.831 16.369 1.00 19.13 C
+ATOM 6762 HE1 HIS B 835 43.361 81.890 17.334 1.00 0.00 H
+ATOM 6763 NE2 HIS B 835 42.932 80.828 15.511 1.00 21.72 N
+ATOM 6764 N ARG B 836 39.456 85.249 15.789 1.00 28.83 N
+ATOM 6765 H ARG B 836 39.665 85.714 14.882 1.00 0.00 H
+ATOM 6766 CA ARG B 836 39.419 86.088 17.003 1.00 30.16 C
+ATOM 6767 HA ARG B 836 39.457 87.102 16.605 1.00 0.00 H
+ATOM 6768 C ARG B 836 40.584 85.865 17.925 1.00 29.81 C
+ATOM 6769 O ARG B 836 40.673 86.531 18.934 1.00 30.46 O
+ATOM 6770 CB ARG B 836 38.106 85.888 17.855 1.00 30.87 C
+ATOM 6771 HB1 ARG B 836 38.101 84.869 18.241 1.00 0.00 H
+ATOM 6772 HB2 ARG B 836 38.129 86.590 18.688 1.00 0.00 H
+ATOM 6773 CG ARG B 836 36.791 86.115 17.064 1.00 35.62 C
+ATOM 6774 HG1 ARG B 836 36.805 87.127 16.660 1.00 0.00 H
+ATOM 6775 HG2 ARG B 836 36.757 85.399 16.243 1.00 0.00 H
+ATOM 6776 CD ARG B 836 35.495 85.945 17.916 1.00 36.24 C
+ATOM 6777 HD1 ARG B 836 35.394 84.899 18.206 1.00 0.00 H
+ATOM 6778 HD2 ARG B 836 34.633 86.239 17.316 1.00 0.00 H
+ATOM 6779 NE ARG B 836 35.544 86.772 19.119 1.00 40.79 N
+ATOM 6780 HE ARG B 836 35.747 87.785 19.002 1.00 0.00 H
+ATOM 6781 CZ ARG B 836 35.346 86.317 20.361 1.00 40.76 C
+ATOM 6782 NH1 ARG B 836 35.078 85.035 20.561 1.00 39.15 N
+ATOM 6783 1HH1 ARG B 836 35.022 84.383 19.753 1.00 0.00 H
+ATOM 6784 2HH1 ARG B 836 34.924 84.680 21.526 1.00 0.00 H
+ATOM 6785 NH2 ARG B 836 35.434 87.157 21.410 1.00 40.83 N
+ATOM 6786 1HH2 ARG B 836 35.656 88.161 21.255 1.00 0.00 H
+ATOM 6787 2HH2 ARG B 836 35.280 86.802 22.375 1.00 0.00 H
+ATOM 6788 N ASP B 837 41.453 84.907 17.652 1.00 29.44 N
+ATOM 6789 H ASP B 837 41.298 84.250 16.861 1.00 0.00 H
+ATOM 6790 CA ASP B 837 42.639 84.803 18.500 1.00 29.17 C
+ATOM 6791 HA ASP B 837 42.749 85.776 18.978 1.00 0.00 H
+ATOM 6792 C ASP B 837 43.944 84.550 17.710 1.00 28.32 C
+ATOM 6793 O ASP B 837 44.775 83.700 18.133 1.00 28.02 O
+ATOM 6794 CB ASP B 837 42.453 83.733 19.564 1.00 29.84 C
+ATOM 6795 HB1 ASP B 837 41.454 83.831 19.988 1.00 0.00 H
+ATOM 6796 HB2 ASP B 837 42.553 82.754 19.096 1.00 0.00 H
+ATOM 6797 CG ASP B 837 43.495 83.847 20.712 1.00 33.80 C
+ATOM 6798 OD1 ASP B 837 44.236 84.850 20.826 1.00 37.10 O
+ATOM 6799 OD2 ASP B 837 43.557 82.933 21.546 1.00 37.08 O
+ATOM 6800 N LEU B 838 44.120 85.243 16.569 1.00 25.80 N
+ATOM 6801 H LEU B 838 43.411 85.944 16.272 1.00 0.00 H
+ATOM 6802 CA LEU B 838 45.294 85.013 15.757 1.00 24.43 C
+ATOM 6803 HA LEU B 838 45.476 83.943 15.660 1.00 0.00 H
+ATOM 6804 C LEU B 838 46.502 85.656 16.451 1.00 24.56 C
+ATOM 6805 O LEU B 838 46.474 86.843 16.767 1.00 24.09 O
+ATOM 6806 CB LEU B 838 45.093 85.532 14.339 1.00 24.50 C
+ATOM 6807 HB1 LEU B 838 44.260 84.976 13.908 1.00 0.00 H
+ATOM 6808 HB2 LEU B 838 44.824 86.585 14.417 1.00 0.00 H
+ATOM 6809 CG LEU B 838 46.282 85.434 13.332 1.00 24.26 C
+ATOM 6810 HG LEU B 838 47.090 86.066 13.699 1.00 0.00 H
+ATOM 6811 CD1 LEU B 838 46.783 83.993 13.230 1.00 22.21 C
+ATOM 6812 1HD1 LEU B 838 47.121 83.657 14.210 1.00 0.00 H
+ATOM 6813 2HD1 LEU B 838 45.972 83.352 12.884 1.00 0.00 H
+ATOM 6814 3HD1 LEU B 838 47.612 83.947 12.523 1.00 0.00 H
+ATOM 6815 CD2 LEU B 838 45.844 85.924 11.938 1.00 22.15 C
+ATOM 6816 1HD2 LEU B 838 45.021 85.306 11.579 1.00 0.00 H
+ATOM 6817 2HD2 LEU B 838 45.518 86.962 12.005 1.00 0.00 H
+ATOM 6818 3HD2 LEU B 838 46.684 85.849 11.248 1.00 0.00 H
+ATOM 6819 N ALA B 839 47.565 84.876 16.698 1.00 24.12 N
+ATOM 6820 H ALA B 839 47.530 83.865 16.455 1.00 0.00 H
+ATOM 6821 CA ALA B 839 48.764 85.430 17.302 1.00 24.26 C
+ATOM 6822 HA ALA B 839 49.023 86.398 16.874 1.00 0.00 H
+ATOM 6823 C ALA B 839 49.834 84.413 17.061 1.00 24.95 C
+ATOM 6824 O ALA B 839 49.544 83.293 16.747 1.00 26.24 O
+ATOM 6825 CB ALA B 839 48.560 85.662 18.802 1.00 23.07 C
+ATOM 6826 HB1 ALA B 839 47.736 86.360 18.952 1.00 0.00 H
+ATOM 6827 HB2 ALA B 839 48.328 84.714 19.287 1.00 0.00 H
+ATOM 6828 HB3 ALA B 839 49.472 86.077 19.231 1.00 0.00 H
+ATOM 6829 N ALA B 840 51.090 84.772 17.220 1.00 25.17 N
+ATOM 6830 H ALA B 840 51.332 85.710 17.599 1.00 0.00 H
+ATOM 6831 CA ALA B 840 52.111 83.844 16.860 1.00 25.56 C
+ATOM 6832 HA ALA B 840 51.905 83.491 15.850 1.00 0.00 H
+ATOM 6833 C ALA B 840 52.123 82.645 17.782 1.00 25.80 C
+ATOM 6834 O ALA B 840 52.678 81.603 17.434 1.00 26.25 O
+ATOM 6835 CB ALA B 840 53.480 84.543 16.910 1.00 24.00 C
+ATOM 6836 HB1 ALA B 840 53.485 85.379 16.211 1.00 0.00 H
+ATOM 6837 HB2 ALA B 840 53.662 84.911 17.920 1.00 0.00 H
+ATOM 6838 HB3 ALA B 840 54.260 83.833 16.635 1.00 0.00 H
+ATOM 6839 N ARG B 841 51.656 82.849 19.012 1.00 27.01 N
+ATOM 6840 H ARG B 841 51.380 83.811 19.293 1.00 0.00 H
+ATOM 6841 CA ARG B 841 51.517 81.742 19.998 1.00 27.73 C
+ATOM 6842 HA ARG B 841 52.503 81.297 20.132 1.00 0.00 H
+ATOM 6843 C ARG B 841 50.508 80.740 19.451 1.00 26.34 C
+ATOM 6844 O ARG B 841 50.615 79.611 19.845 1.00 28.49 O
+ATOM 6845 CB ARG B 841 51.047 82.221 21.410 1.00 27.16 C
+ATOM 6846 HB1 ARG B 841 51.271 81.444 22.141 1.00 0.00 H
+ATOM 6847 HB2 ARG B 841 51.585 83.132 21.673 1.00 0.00 H
+ATOM 6848 CG ARG B 841 49.565 82.502 21.430 1.00 33.58 C
+ATOM 6849 HG1 ARG B 841 49.341 83.221 20.642 1.00 0.00 H
+ATOM 6850 HG2 ARG B 841 49.036 81.570 21.231 1.00 0.00 H
+ATOM 6851 CD ARG B 841 49.068 83.062 22.742 1.00 35.58 C
+ATOM 6852 HD1 ARG B 841 49.746 82.795 23.553 1.00 0.00 H
+ATOM 6853 HD2 ARG B 841 48.070 82.684 22.965 1.00 0.00 H
+ATOM 6854 NE ARG B 841 49.038 84.493 22.559 1.00 39.74 N
+ATOM 6855 HE ARG B 841 49.938 84.993 22.703 1.00 0.00 H
+ATOM 6856 CZ ARG B 841 48.008 85.237 22.232 1.00 38.76 C
+ATOM 6857 NH1 ARG B 841 46.815 84.713 22.052 1.00 42.61 N
+ATOM 6858 1HH1 ARG B 841 46.674 83.689 22.169 1.00 0.00 H
+ATOM 6859 2HH1 ARG B 841 46.013 85.322 21.793 1.00 0.00 H
+ATOM 6860 NH2 ARG B 841 48.212 86.547 22.090 1.00 37.65 N
+ATOM 6861 1HH2 ARG B 841 49.162 86.944 22.238 1.00 0.00 H
+ATOM 6862 2HH2 ARG B 841 47.421 87.171 21.831 1.00 0.00 H
+ATOM 6863 N ASN B 842 49.621 81.112 18.503 1.00 23.77 N
+ATOM 6864 H ASN B 842 49.665 82.075 18.114 1.00 0.00 H
+ATOM 6865 CA ASN B 842 48.609 80.195 18.017 1.00 24.27 C
+ATOM 6866 HA ASN B 842 48.653 79.326 18.674 1.00 0.00 H
+ATOM 6867 C ASN B 842 48.895 79.671 16.620 1.00 24.61 C
+ATOM 6868 O ASN B 842 47.971 79.338 15.816 1.00 23.21 O
+ATOM 6869 CB ASN B 842 47.172 80.793 18.137 1.00 24.56 C
+ATOM 6870 HB1 ASN B 842 47.141 81.746 17.609 1.00 0.00 H
+ATOM 6871 HB2 ASN B 842 46.463 80.103 17.680 1.00 0.00 H
+ATOM 6872 CG ASN B 842 46.769 81.023 19.607 1.00 26.24 C
+ATOM 6873 OD1 ASN B 842 47.214 80.269 20.497 1.00 24.71 O
+ATOM 6874 ND2 ASN B 842 45.969 82.094 19.872 1.00 23.58 N
+ATOM 6875 1HD2 ASN B 842 45.703 82.314 20.853 1.00 0.00 H
+ATOM 6876 2HD2 ASN B 842 45.625 82.691 19.093 1.00 0.00 H
+ATOM 6877 N VAL B 843 50.185 79.569 16.341 1.00 23.93 N
+ATOM 6878 H VAL B 843 50.888 79.879 17.042 1.00 0.00 H
+ATOM 6879 CA VAL B 843 50.632 79.028 15.066 1.00 23.98 C
+ATOM 6880 HA VAL B 843 49.783 78.653 14.494 1.00 0.00 H
+ATOM 6881 C VAL B 843 51.593 77.885 15.389 1.00 26.39 C
+ATOM 6882 O VAL B 843 52.523 78.053 16.221 1.00 27.23 O
+ATOM 6883 CB VAL B 843 51.242 80.103 14.124 1.00 22.99 C
+ATOM 6884 HB VAL B 843 52.033 80.639 14.649 1.00 0.00 H
+ATOM 6885 CG1 VAL B 843 51.850 79.460 12.938 1.00 21.36 C
+ATOM 6886 1HG1 VAL B 843 52.638 78.779 13.259 1.00 0.00 H
+ATOM 6887 2HG1 VAL B 843 51.085 78.903 12.396 1.00 0.00 H
+ATOM 6888 3HG1 VAL B 843 52.273 80.226 12.288 1.00 0.00 H
+ATOM 6889 CG2 VAL B 843 50.172 81.111 13.729 1.00 19.75 C
+ATOM 6890 1HG2 VAL B 843 49.363 80.596 13.212 1.00 0.00 H
+ATOM 6891 2HG2 VAL B 843 49.783 81.595 14.624 1.00 0.00 H
+ATOM 6892 3HG2 VAL B 843 50.607 81.861 13.069 1.00 0.00 H
+ATOM 6893 N LEU B 844 51.319 76.701 14.832 1.00 26.20 N
+ATOM 6894 H LEU B 844 50.516 76.596 14.180 1.00 0.00 H
+ATOM 6895 CA LEU B 844 52.151 75.581 15.149 1.00 27.05 C
+ATOM 6896 HA LEU B 844 52.748 75.817 16.030 1.00 0.00 H
+ATOM 6897 C LEU B 844 53.047 75.293 13.998 1.00 25.88 C
+ATOM 6898 O LEU B 844 52.730 75.578 12.868 1.00 25.89 O
+ATOM 6899 CB LEU B 844 51.286 74.347 15.451 1.00 26.85 C
+ATOM 6900 HB1 LEU B 844 50.593 74.190 14.625 1.00 0.00 H
+ATOM 6901 HB2 LEU B 844 51.934 73.476 15.550 1.00 0.00 H
+ATOM 6902 CG LEU B 844 50.480 74.522 16.755 1.00 33.24 C
+ATOM 6903 HG LEU B 844 49.669 75.199 16.485 1.00 0.00 H
+ATOM 6904 CD1 LEU B 844 49.916 73.209 17.256 1.00 36.15 C
+ATOM 6905 1HD1 LEU B 844 49.253 72.788 16.500 1.00 0.00 H
+ATOM 6906 2HD1 LEU B 844 50.733 72.515 17.452 1.00 0.00 H
+ATOM 6907 3HD1 LEU B 844 49.357 73.382 18.175 1.00 0.00 H
+ATOM 6908 CD2 LEU B 844 51.291 75.153 17.887 1.00 33.03 C
+ATOM 6909 1HD2 LEU B 844 52.150 74.521 18.113 1.00 0.00 H
+ATOM 6910 2HD2 LEU B 844 51.636 76.140 17.579 1.00 0.00 H
+ATOM 6911 3HD2 LEU B 844 50.663 75.247 18.773 1.00 0.00 H
+ATOM 6912 N VAL B 845 54.139 74.632 14.303 1.00 27.16 N
+ATOM 6913 H VAL B 845 54.236 74.267 15.272 1.00 0.00 H
+ATOM 6914 CA VAL B 845 55.234 74.377 13.354 1.00 26.93 C
+ATOM 6915 HA VAL B 845 54.999 74.866 12.409 1.00 0.00 H
+ATOM 6916 C VAL B 845 55.370 72.876 13.091 1.00 27.77 C
+ATOM 6917 O VAL B 845 55.831 72.087 13.938 1.00 29.02 O
+ATOM 6918 CB VAL B 845 56.563 74.978 13.879 1.00 25.70 C
+ATOM 6919 HB VAL B 845 56.892 74.463 14.781 1.00 0.00 H
+ATOM 6920 CG1 VAL B 845 57.611 74.797 12.845 1.00 23.80 C
+ATOM 6921 1HG1 VAL B 845 57.740 73.734 12.643 1.00 0.00 H
+ATOM 6922 2HG1 VAL B 845 57.310 75.308 11.931 1.00 0.00 H
+ATOM 6923 3HG1 VAL B 845 58.551 75.217 13.204 1.00 0.00 H
+ATOM 6924 CG2 VAL B 845 56.358 76.421 14.255 1.00 20.75 C
+ATOM 6925 1HG2 VAL B 845 56.031 76.980 13.379 1.00 0.00 H
+ATOM 6926 2HG2 VAL B 845 55.599 76.488 15.035 1.00 0.00 H
+ATOM 6927 3HG2 VAL B 845 57.296 76.836 14.623 1.00 0.00 H
+ATOM 6928 N LYS B 846 54.916 72.462 11.935 1.00 27.03 N
+ATOM 6929 H LYS B 846 54.509 73.125 11.245 1.00 0.00 H
+ATOM 6930 CA LYS B 846 55.001 71.073 11.661 1.00 27.63 C
+ATOM 6931 HA LYS B 846 54.696 70.471 12.517 1.00 0.00 H
+ATOM 6932 C LYS B 846 56.434 70.805 11.289 1.00 28.56 C
+ATOM 6933 O LYS B 846 57.042 69.906 11.822 1.00 29.11 O
+ATOM 6934 CB LYS B 846 54.089 70.734 10.492 1.00 27.69 C
+ATOM 6935 HB1 LYS B 846 53.053 70.849 10.810 1.00 0.00 H
+ATOM 6936 HB2 LYS B 846 54.296 71.424 9.674 1.00 0.00 H
+ATOM 6937 CG LYS B 846 54.294 69.308 9.995 1.00 24.81 C
+ATOM 6938 HG1 LYS B 846 55.359 69.142 9.832 1.00 0.00 H
+ATOM 6939 HG2 LYS B 846 53.932 68.616 10.755 1.00 0.00 H
+ATOM 6940 CD LYS B 846 53.562 69.044 8.713 1.00 22.11 C
+ATOM 6941 HD1 LYS B 846 52.498 69.245 8.839 1.00 0.00 H
+ATOM 6942 HD2 LYS B 846 53.958 69.675 7.917 1.00 0.00 H
+ATOM 6943 CE LYS B 846 53.782 67.585 8.380 1.00 26.69 C
+ATOM 6944 HE1 LYS B 846 53.400 66.971 9.195 1.00 0.00 H
+ATOM 6945 HE2 LYS B 846 54.850 67.403 8.260 1.00 0.00 H
+ATOM 6946 NZ LYS B 846 53.087 67.219 7.133 1.00 30.54 N
+ATOM 6947 HZ1 LYS B 846 52.067 67.387 7.244 1.00 0.00 H
+ATOM 6948 HZ2 LYS B 846 53.452 67.800 6.351 1.00 0.00 H
+ATOM 6949 HZ3 LYS B 846 53.254 66.213 6.927 1.00 0.00 H
+ATOM 6950 N THR B 847 56.937 71.552 10.310 1.00 29.74 N
+ATOM 6951 H THR B 847 56.279 72.106 9.725 1.00 0.00 H
+ATOM 6952 CA THR B 847 58.353 71.635 10.015 1.00 31.26 C
+ATOM 6953 HA THR B 847 58.889 71.133 10.820 1.00 0.00 H
+ATOM 6954 C THR B 847 58.666 73.118 9.835 1.00 32.07 C
+ATOM 6955 O THR B 847 57.764 73.934 9.617 1.00 32.80 O
+ATOM 6956 CB THR B 847 58.737 70.983 8.682 1.00 31.29 C
+ATOM 6957 HB THR B 847 59.824 70.922 8.633 1.00 0.00 H
+ATOM 6958 OG1 THR B 847 58.225 71.796 7.604 1.00 33.48 O
+ATOM 6959 HG1 THR B 847 58.618 72.703 7.661 1.00 0.00 H
+ATOM 6960 CG2 THR B 847 58.209 69.556 8.560 1.00 29.33 C
+ATOM 6961 1HG2 THR B 847 57.120 69.568 8.606 1.00 0.00 H
+ATOM 6962 2HG2 THR B 847 58.529 69.132 7.608 1.00 0.00 H
+ATOM 6963 3HG2 THR B 847 58.602 68.953 9.379 1.00 0.00 H
+ATOM 6964 N PRO B 848 59.953 73.484 9.893 1.00 32.66 N
+ATOM 6965 CA PRO B 848 60.263 74.906 9.658 1.00 32.25 C
+ATOM 6966 HA PRO B 848 59.776 75.537 10.402 1.00 0.00 H
+ATOM 6967 C PRO B 848 59.758 75.450 8.290 1.00 31.68 C
+ATOM 6968 O PRO B 848 59.635 76.627 8.113 1.00 31.90 O
+ATOM 6969 CB PRO B 848 61.797 74.924 9.671 1.00 33.12 C
+ATOM 6970 HB1 PRO B 848 62.190 74.850 8.657 1.00 0.00 H
+ATOM 6971 HB2 PRO B 848 62.166 75.838 10.136 1.00 0.00 H
+ATOM 6972 CG PRO B 848 62.196 73.719 10.483 1.00 34.06 C
+ATOM 6973 HG1 PRO B 848 63.199 73.387 10.215 1.00 0.00 H
+ATOM 6974 HG2 PRO B 848 62.161 73.942 11.549 1.00 0.00 H
+ATOM 6975 CD PRO B 848 61.167 72.668 10.120 1.00 32.48 C
+ATOM 6976 HD1 PRO B 848 61.021 71.960 10.935 1.00 0.00 H
+ATOM 6977 HD2 PRO B 848 61.455 72.128 9.218 1.00 0.00 H
+ATOM 6978 N GLN B 849 59.480 74.614 7.314 1.00 30.80 N
+ATOM 6979 H GLN B 849 59.743 73.609 7.367 1.00 0.00 H
+ATOM 6980 CA GLN B 849 58.807 75.145 6.188 1.00 32.40 C
+ATOM 6981 HA GLN B 849 59.052 76.204 6.266 1.00 0.00 H
+ATOM 6982 C GLN B 849 57.297 74.975 6.176 1.00 30.59 C
+ATOM 6983 O GLN B 849 56.688 75.169 5.136 1.00 29.31 O
+ATOM 6984 CB GLN B 849 59.279 74.508 4.883 1.00 34.05 C
+ATOM 6985 HB1 GLN B 849 58.440 74.509 4.187 1.00 0.00 H
+ATOM 6986 HB2 GLN B 849 60.083 75.124 4.481 1.00 0.00 H
+ATOM 6987 CG GLN B 849 59.775 73.132 4.990 1.00 43.93 C
+ATOM 6988 HG1 GLN B 849 59.532 72.722 5.970 1.00 0.00 H
+ATOM 6989 HG2 GLN B 849 59.324 72.511 4.216 1.00 0.00 H
+ATOM 6990 CD GLN B 849 61.289 73.183 4.804 1.00 55.54 C
+ATOM 6991 OE1 GLN B 849 62.105 73.069 5.790 1.00 53.50 O
+ATOM 6992 NE2 GLN B 849 61.684 73.465 3.527 1.00 53.71 N
+ATOM 6993 1HE2 GLN B 849 62.693 73.600 3.312 1.00 0.00 H
+ATOM 6994 2HE2 GLN B 849 60.976 73.545 2.769 1.00 0.00 H
+ATOM 6995 N HIS B 850 56.673 74.564 7.276 1.00 28.93 N
+ATOM 6996 H HIS B 850 57.179 74.449 8.177 1.00 0.00 H
+ATOM 6997 CA HIS B 850 55.245 74.281 7.162 1.00 26.50 C
+ATOM 6998 HA HIS B 850 54.819 74.948 6.412 1.00 0.00 H
+ATOM 6999 C HIS B 850 54.532 74.558 8.480 1.00 24.92 C
+ATOM 7000 O HIS B 850 54.620 73.781 9.393 1.00 24.07 O
+ATOM 7001 CB HIS B 850 55.016 72.847 6.689 1.00 25.11 C
+ATOM 7002 HB1 HIS B 850 55.618 72.677 5.796 1.00 0.00 H
+ATOM 7003 HB2 HIS B 850 55.339 72.167 7.478 1.00 0.00 H
+ATOM 7004 CG HIS B 850 53.590 72.550 6.362 1.00 26.83 C
+ATOM 7005 ND1 HIS B 850 53.203 71.433 5.633 1.00 30.22 N
+ATOM 7006 CD2 HIS B 850 52.441 73.228 6.647 1.00 24.89 C
+ATOM 7007 HD2 HIS B 850 52.362 74.168 7.193 1.00 0.00 H
+ATOM 7008 CE1 HIS B 850 51.880 71.424 5.497 1.00 22.59 C
+ATOM 7009 HE1 HIS B 850 51.294 70.669 4.973 1.00 0.00 H
+ATOM 7010 NE2 HIS B 850 51.398 72.499 6.114 1.00 26.99 N
+ATOM 7011 N VAL B 851 53.812 75.663 8.543 1.00 23.77 N
+ATOM 7012 H VAL B 851 53.758 76.272 7.702 1.00 0.00 H
+ATOM 7013 CA VAL B 851 53.093 76.062 9.738 1.00 22.07 C
+ATOM 7014 HA VAL B 851 53.367 75.330 10.498 1.00 0.00 H
+ATOM 7015 C VAL B 851 51.562 75.993 9.575 1.00 22.22 C
+ATOM 7016 O VAL B 851 51.089 75.990 8.447 1.00 23.61 O
+ATOM 7017 CB VAL B 851 53.526 77.465 10.239 1.00 22.57 C
+ATOM 7018 HB VAL B 851 52.981 77.697 11.154 1.00 0.00 H
+ATOM 7019 CG1 VAL B 851 54.996 77.439 10.562 1.00 21.15 C
+ATOM 7020 1HG1 VAL B 851 55.183 76.697 11.339 1.00 0.00 H
+ATOM 7021 2HG1 VAL B 851 55.559 77.179 9.666 1.00 0.00 H
+ATOM 7022 3HG1 VAL B 851 55.307 78.422 10.915 1.00 0.00 H
+ATOM 7023 CG2 VAL B 851 53.126 78.597 9.277 1.00 16.02 C
+ATOM 7024 1HG2 VAL B 851 53.596 78.431 8.308 1.00 0.00 H
+ATOM 7025 2HG2 VAL B 851 52.042 78.607 9.160 1.00 0.00 H
+ATOM 7026 3HG2 VAL B 851 53.457 79.552 9.684 1.00 0.00 H
+ATOM 7027 N LYS B 852 50.822 75.886 10.671 1.00 20.37 N
+ATOM 7028 H LYS B 852 51.291 75.872 11.599 1.00 0.00 H
+ATOM 7029 CA LYS B 852 49.397 75.790 10.610 1.00 21.43 C
+ATOM 7030 HA LYS B 852 49.093 76.125 9.618 1.00 0.00 H
+ATOM 7031 C LYS B 852 48.840 76.594 11.732 1.00 22.69 C
+ATOM 7032 O LYS B 852 49.389 76.566 12.835 1.00 23.06 O
+ATOM 7033 CB LYS B 852 48.894 74.368 10.855 1.00 21.04 C
+ATOM 7034 HB1 LYS B 852 49.359 73.984 11.763 1.00 0.00 H
+ATOM 7035 HB2 LYS B 852 47.812 74.397 10.987 1.00 0.00 H
+ATOM 7036 CG LYS B 852 49.203 73.478 9.764 1.00 20.24 C
+ATOM 7037 HG1 LYS B 852 48.700 73.842 8.868 1.00 0.00 H
+ATOM 7038 HG2 LYS B 852 50.281 73.489 9.604 1.00 0.00 H
+ATOM 7039 CD LYS B 852 48.782 72.094 10.005 1.00 20.78 C
+ATOM 7040 HD1 LYS B 852 49.173 71.756 10.964 1.00 0.00 H
+ATOM 7041 HD2 LYS B 852 47.693 72.041 10.019 1.00 0.00 H
+ATOM 7042 CE LYS B 852 49.327 71.194 8.880 1.00 23.65 C
+ATOM 7043 HE1 LYS B 852 50.375 70.977 9.086 1.00 0.00 H
+ATOM 7044 HE2 LYS B 852 49.247 71.732 7.935 1.00 0.00 H
+ATOM 7045 NZ LYS B 852 48.580 69.885 8.754 1.00 23.95 N
+ATOM 7046 HZ1 LYS B 852 48.656 69.356 9.646 1.00 0.00 H
+ATOM 7047 HZ2 LYS B 852 47.579 70.077 8.548 1.00 0.00 H
+ATOM 7048 HZ3 LYS B 852 48.993 69.325 7.981 1.00 0.00 H
+ATOM 7049 N ILE B 853 47.724 77.251 11.440 1.00 23.32 N
+ATOM 7050 H ILE B 853 47.374 77.205 10.462 1.00 0.00 H
+ATOM 7051 CA ILE B 853 46.962 78.028 12.396 1.00 25.16 C
+ATOM 7052 HA ILE B 853 47.675 78.650 12.937 1.00 0.00 H
+ATOM 7053 C ILE B 853 46.221 77.136 13.389 1.00 26.94 C
+ATOM 7054 O ILE B 853 45.590 76.159 13.015 1.00 28.20 O
+ATOM 7055 CB ILE B 853 45.931 78.895 11.675 1.00 25.50 C
+ATOM 7056 HB ILE B 853 45.324 78.299 10.993 1.00 0.00 H
+ATOM 7057 CG1 ILE B 853 46.675 79.959 10.839 1.00 23.31 C
+ATOM 7058 1HG1 ILE B 853 46.889 80.816 11.477 1.00 0.00 H
+ATOM 7059 2HG1 ILE B 853 47.612 79.530 10.483 1.00 0.00 H
+ATOM 7060 CG2 ILE B 853 44.981 79.514 12.703 1.00 22.87 C
+ATOM 7061 1HG2 ILE B 853 44.472 78.720 13.250 1.00 0.00 H
+ATOM 7062 2HG2 ILE B 853 45.552 80.128 13.399 1.00 0.00 H
+ATOM 7063 3HG2 ILE B 853 44.245 80.133 12.189 1.00 0.00 H
+ATOM 7064 CD1 ILE B 853 45.922 80.404 9.716 1.00 24.49 C
+ATOM 7065 1HD1 ILE B 853 45.709 79.557 9.064 1.00 0.00 H
+ATOM 7066 2HD1 ILE B 853 44.986 80.844 10.059 1.00 0.00 H
+ATOM 7067 3HD1 ILE B 853 46.497 81.151 9.168 1.00 0.00 H
+ATOM 7068 N THR B 854 46.312 77.468 14.662 1.00 28.30 N
+ATOM 7069 H THR B 854 46.875 78.294 14.948 1.00 0.00 H
+ATOM 7070 CA THR B 854 45.633 76.686 15.645 1.00 29.77 C
+ATOM 7071 HA THR B 854 44.918 76.040 15.136 1.00 0.00 H
+ATOM 7072 C THR B 854 44.852 77.561 16.596 1.00 30.13 C
+ATOM 7073 O THR B 854 44.661 78.775 16.354 1.00 27.83 O
+ATOM 7074 CB THR B 854 46.648 75.790 16.413 1.00 30.88 C
+ATOM 7075 HB THR B 854 47.397 75.443 15.701 1.00 0.00 H
+ATOM 7076 OG1 THR B 854 45.935 74.712 17.012 1.00 35.56 O
+ATOM 7077 HG1 THR B 854 46.568 74.132 17.505 1.00 0.00 H
+ATOM 7078 CG2 THR B 854 47.367 76.579 17.562 1.00 29.43 C
+ATOM 7079 1HG2 THR B 854 46.622 76.958 18.262 1.00 0.00 H
+ATOM 7080 2HG2 THR B 854 48.053 75.912 18.085 1.00 0.00 H
+ATOM 7081 3HG2 THR B 854 47.923 77.413 17.135 1.00 0.00 H
+ATOM 7082 N ASP B 855 44.388 76.912 17.677 1.00 32.03 N
+ATOM 7083 H ASP B 855 44.576 75.890 17.729 1.00 0.00 H
+ATOM 7084 CA ASP B 855 43.630 77.517 18.808 1.00 33.78 C
+ATOM 7085 HA ASP B 855 43.319 76.672 19.422 1.00 0.00 H
+ATOM 7086 C ASP B 855 42.300 78.201 18.436 1.00 33.83 C
+ATOM 7087 O ASP B 855 42.170 79.445 18.331 1.00 33.45 O
+ATOM 7088 CB ASP B 855 44.525 78.433 19.616 1.00 35.86 C
+ATOM 7089 HB1 ASP B 855 45.526 78.003 19.646 1.00 0.00 H
+ATOM 7090 HB2 ASP B 855 44.562 79.405 19.124 1.00 0.00 H
+ATOM 7091 CG ASP B 855 44.026 78.635 21.082 1.00 41.99 C
+ATOM 7092 OD1 ASP B 855 42.764 78.672 21.308 1.00 41.87 O
+ATOM 7093 OD2 ASP B 855 44.940 78.731 21.988 1.00 47.31 O
+ATOM 7094 N PHE B 856 41.315 77.335 18.279 1.00 34.45 N
+ATOM 7095 H PHE B 856 41.509 76.336 18.494 1.00 0.00 H
+ATOM 7096 CA PHE B 856 40.001 77.677 17.834 1.00 34.55 C
+ATOM 7097 HA PHE B 856 40.028 78.630 17.306 1.00 0.00 H
+ATOM 7098 C PHE B 856 39.011 77.966 18.997 1.00 35.28 C
+ATOM 7099 O PHE B 856 37.800 78.156 18.802 1.00 34.68 O
+ATOM 7100 CB PHE B 856 39.541 76.609 16.867 1.00 34.72 C
+ATOM 7101 HB1 PHE B 856 39.839 75.634 17.252 1.00 0.00 H
+ATOM 7102 HB2 PHE B 856 38.455 76.650 16.788 1.00 0.00 H
+ATOM 7103 CG PHE B 856 40.133 76.793 15.502 1.00 35.22 C
+ATOM 7104 CD1 PHE B 856 39.554 77.697 14.598 1.00 34.16 C
+ATOM 7105 HD1 PHE B 856 38.640 78.221 14.879 1.00 0.00 H
+ATOM 7106 CD2 PHE B 856 41.309 76.142 15.139 1.00 34.88 C
+ATOM 7107 HD2 PHE B 856 41.788 75.455 15.836 1.00 0.00 H
+ATOM 7108 CE1 PHE B 856 40.118 77.936 13.360 1.00 31.51 C
+ATOM 7109 HE1 PHE B 856 39.652 78.640 12.671 1.00 0.00 H
+ATOM 7110 CE2 PHE B 856 41.873 76.368 13.887 1.00 32.43 C
+ATOM 7111 HE2 PHE B 856 42.780 75.840 13.591 1.00 0.00 H
+ATOM 7112 CZ PHE B 856 41.266 77.282 13.005 1.00 32.04 C
+ATOM 7113 HZ PHE B 856 41.715 77.470 12.030 1.00 0.00 H
+ATOM 7114 N GLY B 857 39.596 78.132 20.183 1.00 34.78 N
+ATOM 7115 H GLY B 857 40.621 77.972 20.250 1.00 0.00 H
+ATOM 7116 CA GLY B 857 38.894 78.519 21.373 1.00 35.08 C
+ATOM 7117 HA1 GLY B 857 38.268 77.672 21.654 1.00 0.00 H
+ATOM 7118 HA2 GLY B 857 39.650 78.681 22.141 1.00 0.00 H
+ATOM 7119 C GLY B 857 37.999 79.740 21.384 1.00 35.70 C
+ATOM 7120 O GLY B 857 37.068 79.754 22.152 1.00 38.40 O
+ATOM 7121 N LEU B 858 38.243 80.763 20.578 1.00 34.85 N
+ATOM 7122 H LEU B 858 39.060 80.738 19.935 1.00 0.00 H
+ATOM 7123 CA LEU B 858 37.386 81.891 20.596 1.00 33.34 C
+ATOM 7124 HA LEU B 858 36.628 81.790 21.373 1.00 0.00 H
+ATOM 7125 C LEU B 858 36.697 81.990 19.279 1.00 32.44 C
+ATOM 7126 O LEU B 858 35.953 82.919 19.032 1.00 31.87 O
+ATOM 7127 CB LEU B 858 38.194 83.129 20.901 1.00 34.21 C
+ATOM 7128 HB1 LEU B 858 39.009 83.190 20.180 1.00 0.00 H
+ATOM 7129 HB2 LEU B 858 37.544 83.997 20.787 1.00 0.00 H
+ATOM 7130 CG LEU B 858 38.803 83.163 22.326 1.00 38.63 C
+ATOM 7131 HG LEU B 858 39.211 82.164 22.477 1.00 0.00 H
+ATOM 7132 CD1 LEU B 858 39.842 84.257 22.415 1.00 40.01 C
+ATOM 7133 1HD1 LEU B 858 40.633 84.065 21.690 1.00 0.00 H
+ATOM 7134 2HD1 LEU B 858 39.375 85.218 22.200 1.00 0.00 H
+ATOM 7135 3HD1 LEU B 858 40.265 84.274 23.420 1.00 0.00 H
+ATOM 7136 CD2 LEU B 858 37.769 83.466 23.462 1.00 36.44 C
+ATOM 7137 1HD2 LEU B 858 37.313 84.440 23.286 1.00 0.00 H
+ATOM 7138 2HD2 LEU B 858 36.997 82.697 23.463 1.00 0.00 H
+ATOM 7139 3HD2 LEU B 858 38.280 83.471 24.425 1.00 0.00 H
+ATOM 7140 N ALA B 859 36.941 81.028 18.416 1.00 31.88 N
+ATOM 7141 H ALA B 859 37.454 80.177 18.722 1.00 0.00 H
+ATOM 7142 CA ALA B 859 36.492 81.150 17.021 1.00 34.08 C
+ATOM 7143 HA ALA B 859 36.796 82.131 16.655 1.00 0.00 H
+ATOM 7144 C ALA B 859 34.981 81.079 16.881 1.00 36.82 C
+ATOM 7145 O ALA B 859 34.316 80.439 17.692 1.00 36.73 O
+ATOM 7146 CB ALA B 859 37.142 80.025 16.197 1.00 33.10 C
+ATOM 7147 HB1 ALA B 859 38.227 80.119 16.248 1.00 0.00 H
+ATOM 7148 HB2 ALA B 859 36.840 79.059 16.602 1.00 0.00 H
+ATOM 7149 HB3 ALA B 859 36.818 80.103 15.159 1.00 0.00 H
+ATOM 7150 N LYS B 860 34.441 81.683 15.816 1.00 39.65 N
+ATOM 7151 H LYS B 860 35.081 82.120 15.122 1.00 0.00 H
+ATOM 7152 CA LYS B 860 33.017 81.763 15.575 1.00 41.34 C
+ATOM 7153 HA LYS B 860 32.522 81.009 16.187 1.00 0.00 H
+ATOM 7154 C LYS B 860 32.702 81.510 14.142 1.00 43.45 C
+ATOM 7155 O LYS B 860 33.205 82.222 13.289 1.00 44.04 O
+ATOM 7156 CB LYS B 860 32.544 83.135 15.922 1.00 40.59 C
+ATOM 7157 HB1 LYS B 860 33.126 83.864 15.358 1.00 0.00 H
+ATOM 7158 HB2 LYS B 860 31.492 83.226 15.653 1.00 0.00 H
+ATOM 7159 CG LYS B 860 32.700 83.418 17.396 1.00 44.76 C
+ATOM 7160 HG1 LYS B 860 33.654 83.015 17.737 1.00 0.00 H
+ATOM 7161 HG2 LYS B 860 32.685 84.496 17.555 1.00 0.00 H
+ATOM 7162 CD LYS B 860 31.566 82.776 18.206 1.00 48.45 C
+ATOM 7163 HD1 LYS B 860 31.021 83.569 18.717 1.00 0.00 H
+ATOM 7164 HD2 LYS B 860 30.897 82.267 17.512 1.00 0.00 H
+ATOM 7165 CE LYS B 860 32.028 81.766 19.250 1.00 52.95 C
+ATOM 7166 HE1 LYS B 860 32.785 81.117 18.810 1.00 0.00 H
+ATOM 7167 HE2 LYS B 860 31.176 81.165 19.568 1.00 0.00 H
+ATOM 7168 NZ LYS B 860 32.592 82.441 20.404 1.00 49.25 N
+ATOM 7169 HZ1 LYS B 860 33.408 83.013 20.105 1.00 0.00 H
+ATOM 7170 HZ2 LYS B 860 31.871 83.059 20.829 1.00 0.00 H
+ATOM 7171 HZ3 LYS B 860 32.900 81.734 21.102 1.00 0.00 H
+ATOM 7172 N LEU B 861 31.881 80.489 13.866 1.00 46.27 N
+ATOM 7173 H LEU B 861 31.606 79.842 14.633 1.00 0.00 H
+ATOM 7174 CA LEU B 861 31.352 80.251 12.505 1.00 49.44 C
+ATOM 7175 HA LEU B 861 32.131 80.382 11.754 1.00 0.00 H
+ATOM 7176 C LEU B 861 30.227 81.224 12.393 1.00 50.55 C
+ATOM 7177 O LEU B 861 29.419 81.257 13.281 1.00 52.53 O
+ATOM 7178 CB LEU B 861 30.857 78.822 12.275 1.00 48.63 C
+ATOM 7179 HB1 LEU B 861 30.478 78.442 13.224 1.00 0.00 H
+ATOM 7180 HB2 LEU B 861 30.044 78.862 11.550 1.00 0.00 H
+ATOM 7181 CG LEU B 861 31.924 77.811 11.745 1.00 51.28 C
+ATOM 7182 HG LEU B 861 32.787 77.985 12.388 1.00 0.00 H
+ATOM 7183 CD1 LEU B 861 31.604 76.251 11.947 1.00 48.55 C
+ATOM 7184 1HD1 LEU B 861 31.497 76.038 13.011 1.00 0.00 H
+ATOM 7185 2HD1 LEU B 861 30.677 76.002 11.430 1.00 0.00 H
+ATOM 7186 3HD1 LEU B 861 32.421 75.658 11.537 1.00 0.00 H
+ATOM 7187 CD2 LEU B 861 32.272 78.109 10.261 1.00 52.08 C
+ATOM 7188 1HD2 LEU B 861 31.371 78.023 9.653 1.00 0.00 H
+ATOM 7189 2HD2 LEU B 861 32.672 79.120 10.179 1.00 0.00 H
+ATOM 7190 3HD2 LEU B 861 33.017 77.393 9.913 1.00 0.00 H
+ATOM 7191 N LEU B 862 30.241 82.076 11.383 1.00 51.29 N
+ATOM 7192 H LEU B 862 31.042 82.059 10.720 1.00 0.00 H
+ATOM 7193 CA LEU B 862 29.189 83.019 11.174 1.00 52.62 C
+ATOM 7194 HA LEU B 862 28.871 83.433 12.131 1.00 0.00 H
+ATOM 7195 C LEU B 862 28.046 82.275 10.466 1.00 55.40 C
+ATOM 7196 O LEU B 862 28.250 81.576 9.418 1.00 54.49 O
+ATOM 7197 CB LEU B 862 29.649 84.171 10.300 1.00 51.99 C
+ATOM 7198 HB1 LEU B 862 29.995 83.735 9.363 1.00 0.00 H
+ATOM 7199 HB2 LEU B 862 28.772 84.790 10.110 1.00 0.00 H
+ATOM 7200 CG LEU B 862 30.759 85.115 10.784 1.00 51.86 C
+ATOM 7201 HG LEU B 862 31.600 84.509 11.120 1.00 0.00 H
+ATOM 7202 CD1 LEU B 862 31.216 86.004 9.636 1.00 48.49 C
+ATOM 7203 1HD1 LEU B 862 31.598 85.382 8.826 1.00 0.00 H
+ATOM 7204 2HD1 LEU B 862 30.372 86.593 9.276 1.00 0.00 H
+ATOM 7205 3HD1 LEU B 862 32.004 86.671 9.986 1.00 0.00 H
+ATOM 7206 CD2 LEU B 862 30.311 85.948 11.973 1.00 46.50 C
+ATOM 7207 1HD2 LEU B 862 29.448 86.550 11.689 1.00 0.00 H
+ATOM 7208 2HD2 LEU B 862 30.039 85.287 12.796 1.00 0.00 H
+ATOM 7209 3HD2 LEU B 862 31.125 86.602 12.284 1.00 0.00 H
+ATOM 7210 N GLY B 863 26.843 82.410 11.050 1.00 57.39 N
+ATOM 7211 H GLY B 863 26.772 82.901 11.964 1.00 0.00 H
+ATOM 7212 CA GLY B 863 25.640 81.883 10.428 1.00 60.01 C
+ATOM 7213 HA1 GLY B 863 25.877 80.968 9.885 1.00 0.00 H
+ATOM 7214 HA2 GLY B 863 24.894 81.667 11.193 1.00 0.00 H
+ATOM 7215 C GLY B 863 25.099 82.927 9.463 1.00 61.50 C
+ATOM 7216 O GLY B 863 25.642 84.044 9.421 1.00 60.80 O
+ATOM 7217 N ALA B 864 24.064 82.531 8.688 1.00 63.51 N
+ATOM 7218 H ALA B 864 23.877 81.509 8.638 1.00 0.00 H
+ATOM 7219 CA ALA B 864 23.166 83.421 7.899 1.00 65.70 C
+ATOM 7220 HA ALA B 864 22.695 82.726 7.203 1.00 0.00 H
+ATOM 7221 C ALA B 864 23.826 84.495 6.994 1.00 67.34 C
+ATOM 7222 O ALA B 864 24.805 84.258 6.205 1.00 67.63 O
+ATOM 7223 CB ALA B 864 22.123 84.141 8.857 1.00 65.72 C
+ATOM 7224 HB1 ALA B 864 21.521 83.389 9.367 1.00 0.00 H
+ATOM 7225 HB2 ALA B 864 22.660 84.739 9.593 1.00 0.00 H
+ATOM 7226 HB3 ALA B 864 21.474 84.787 8.266 1.00 0.00 H
+ATOM 7227 N GLU B 865 23.236 85.680 7.120 1.00 68.14 N
+ATOM 7228 H GLU B 865 22.336 85.734 7.639 1.00 0.00 H
+ATOM 7229 CA GLU B 865 23.785 86.888 6.572 1.00 68.94 C
+ATOM 7230 HA GLU B 865 24.619 86.726 5.889 1.00 0.00 H
+ATOM 7231 C GLU B 865 24.268 87.694 7.790 1.00 68.66 C
+ATOM 7232 O GLU B 865 24.162 88.913 7.851 1.00 70.06 O
+ATOM 7233 CB GLU B 865 22.716 87.606 5.723 1.00 69.27 C
+ATOM 7234 HB1 GLU B 865 22.399 86.952 4.911 1.00 0.00 H
+ATOM 7235 HB2 GLU B 865 21.859 87.850 6.351 1.00 0.00 H
+ATOM 7236 N GLU B 866 24.782 86.992 8.784 1.00 67.58 N
+ATOM 7237 H GLU B 866 24.673 85.958 8.797 1.00 0.00 H
+ATOM 7238 CA GLU B 866 25.494 87.651 9.851 1.00 66.96 C
+ATOM 7239 HA GLU B 866 24.938 88.469 10.309 1.00 0.00 H
+ATOM 7240 C GLU B 866 26.794 88.184 9.207 1.00 66.64 C
+ATOM 7241 O GLU B 866 27.584 87.430 8.620 1.00 67.26 O
+ATOM 7242 CB GLU B 866 25.776 86.624 10.951 1.00 66.62 C
+ATOM 7243 HB1 GLU B 866 24.881 86.014 11.074 1.00 0.00 H
+ATOM 7244 HB2 GLU B 866 26.600 85.995 10.615 1.00 0.00 H
+ATOM 7245 CG GLU B 866 26.145 87.183 12.312 1.00 68.17 C
+ATOM 7246 HG1 GLU B 866 26.946 87.910 12.179 1.00 0.00 H
+ATOM 7247 HG2 GLU B 866 25.269 87.682 12.727 1.00 0.00 H
+ATOM 7248 CD GLU B 866 26.628 86.097 13.338 1.00 68.86 C
+ATOM 7249 OE1 GLU B 866 26.558 84.862 13.052 1.00 67.87 O
+ATOM 7250 OE2 GLU B 866 27.087 86.507 14.444 1.00 67.62 O
+ATOM 7251 N LYS B 867 27.014 89.486 9.264 1.00 65.73 N
+ATOM 7252 H LYS B 867 26.315 90.114 9.709 1.00 0.00 H
+ATOM 7253 CA LYS B 867 28.256 90.046 8.694 1.00 64.83 C
+ATOM 7254 HA LYS B 867 28.671 89.309 8.006 1.00 0.00 H
+ATOM 7255 C LYS B 867 29.372 90.252 9.783 1.00 63.47 C
+ATOM 7256 O LYS B 867 30.541 90.332 9.482 1.00 63.32 O
+ATOM 7257 CB LYS B 867 27.965 91.314 7.835 1.00 64.68 C
+ATOM 7258 HB1 LYS B 867 27.295 91.051 7.016 1.00 0.00 H
+ATOM 7259 HB2 LYS B 867 27.496 92.075 8.459 1.00 0.00 H
+ATOM 7260 N GLU B 868 28.997 90.287 11.052 1.00 62.40 N
+ATOM 7261 H GLU B 868 27.986 90.184 11.274 1.00 0.00 H
+ATOM 7262 CA GLU B 868 29.948 90.466 12.168 1.00 61.42 C
+ATOM 7263 HA GLU B 868 30.944 90.234 11.792 1.00 0.00 H
+ATOM 7264 C GLU B 868 29.564 89.534 13.338 1.00 60.13 C
+ATOM 7265 O GLU B 868 28.502 88.903 13.316 1.00 59.11 O
+ATOM 7266 CB GLU B 868 29.910 91.900 12.694 1.00 61.46 C
+ATOM 7267 HB1 GLU B 868 29.324 91.913 13.613 1.00 0.00 H
+ATOM 7268 HB2 GLU B 868 30.931 92.213 12.912 1.00 0.00 H
+ATOM 7269 CG GLU B 868 29.305 92.891 11.730 1.00 64.67 C
+ATOM 7270 HG1 GLU B 868 29.886 92.884 10.808 1.00 0.00 H
+ATOM 7271 HG2 GLU B 868 28.280 92.590 11.514 1.00 0.00 H
+ATOM 7272 CD GLU B 868 29.294 94.296 12.290 1.00 69.54 C
+ATOM 7273 OE1 GLU B 868 29.886 95.168 11.610 1.00 69.00 O
+ATOM 7274 OE2 GLU B 868 28.735 94.519 13.406 1.00 71.21 O
+ATOM 7275 N TYR B 869 30.434 89.445 14.335 1.00 58.66 N
+ATOM 7276 H TYR B 869 31.374 89.876 14.228 1.00 0.00 H
+ATOM 7277 CA TYR B 869 30.108 88.766 15.560 1.00 58.11 C
+ATOM 7278 HA TYR B 869 29.103 88.350 15.486 1.00 0.00 H
+ATOM 7279 C TYR B 869 30.172 89.763 16.683 1.00 58.24 C
+ATOM 7280 O TYR B 869 31.163 90.457 16.858 1.00 57.95 O
+ATOM 7281 CB TYR B 869 31.050 87.594 15.819 1.00 57.72 C
+ATOM 7282 HB1 TYR B 869 30.895 86.852 15.036 1.00 0.00 H
+ATOM 7283 HB2 TYR B 869 32.075 87.962 15.772 1.00 0.00 H
+ATOM 7284 CG TYR B 869 30.849 86.915 17.166 1.00 55.97 C
+ATOM 7285 CD1 TYR B 869 29.747 86.049 17.395 1.00 57.80 C
+ATOM 7286 HD1 TYR B 869 29.037 85.869 16.588 1.00 0.00 H
+ATOM 7287 CD2 TYR B 869 31.745 87.102 18.189 1.00 51.85 C
+ATOM 7288 HD2 TYR B 869 32.604 87.756 18.039 1.00 0.00 H
+ATOM 7289 CE1 TYR B 869 29.547 85.415 18.642 1.00 53.82 C
+ATOM 7290 HE1 TYR B 869 28.685 84.767 18.802 1.00 0.00 H
+ATOM 7291 CE2 TYR B 869 31.570 86.466 19.419 1.00 55.43 C
+ATOM 7292 HE2 TYR B 869 32.302 86.617 20.212 1.00 0.00 H
+ATOM 7293 CZ TYR B 869 30.456 85.629 19.648 1.00 56.23 C
+ATOM 7294 OH TYR B 869 30.303 84.987 20.886 1.00 56.54 O
+ATOM 7295 HH TYR B 869 29.475 84.444 20.875 1.00 0.00 H
+ATOM 7296 N HIS B 870 29.098 89.849 17.448 1.00 59.51 N
+ATOM 7297 H HIS B 870 28.249 89.295 17.214 1.00 0.00 H
+ATOM 7298 CA HIS B 870 29.099 90.713 18.613 1.00 60.92 C
+ATOM 7299 HA HIS B 870 29.904 91.446 18.555 1.00 0.00 H
+ATOM 7300 C HIS B 870 29.341 89.838 19.843 1.00 60.46 C
+ATOM 7301 O HIS B 870 28.509 89.029 20.149 1.00 61.56 O
+ATOM 7302 CB HIS B 870 27.820 91.569 18.686 1.00 61.09 C
+ATOM 7303 HB1 HIS B 870 27.830 92.283 17.863 1.00 0.00 H
+ATOM 7304 HB2 HIS B 870 26.955 90.914 18.587 1.00 0.00 H
+ATOM 7305 CG HIS B 870 27.706 92.326 19.980 1.00 68.80 C
+ATOM 7306 ND1 HIS B 870 26.733 92.050 20.928 1.00 74.07 N
+ATOM 7307 CD2 HIS B 870 28.494 93.294 20.520 1.00 70.88 C
+ATOM 7308 HD2 HIS B 870 29.368 93.750 20.054 1.00 0.00 H
+ATOM 7309 CE1 HIS B 870 26.921 92.831 21.986 1.00 75.00 C
+ATOM 7310 HE1 HIS B 870 26.305 92.844 22.885 1.00 0.00 H
+ATOM 7311 NE2 HIS B 870 27.983 93.591 21.765 1.00 72.63 N
+ATOM 7312 N ALA B 871 30.509 89.939 20.483 1.00 61.03 N
+ATOM 7313 H ALA B 871 31.188 90.659 20.162 1.00 0.00 H
+ATOM 7314 CA ALA B 871 30.884 89.081 21.622 1.00 61.64 C
+ATOM 7315 HA ALA B 871 30.493 88.089 21.396 1.00 0.00 H
+ATOM 7316 C ALA B 871 30.245 89.532 22.951 1.00 62.80 C
+ATOM 7317 O ALA B 871 29.811 90.695 23.078 1.00 62.58 O
+ATOM 7318 CB ALA B 871 32.391 89.005 21.771 1.00 61.01 C
+ATOM 7319 HB1 ALA B 871 32.824 88.589 20.861 1.00 0.00 H
+ATOM 7320 HB2 ALA B 871 32.789 90.006 21.940 1.00 0.00 H
+ATOM 7321 HB3 ALA B 871 32.639 88.366 22.618 1.00 0.00 H
+ATOM 7322 N GLU B 872 30.180 88.608 23.913 1.00 63.53 N
+ATOM 7323 H GLU B 872 30.565 87.659 23.730 1.00 0.00 H
+ATOM 7324 CA GLU B 872 29.582 88.895 25.218 1.00 65.07 C
+ATOM 7325 HA GLU B 872 28.755 89.595 25.102 1.00 0.00 H
+ATOM 7326 C GLU B 872 30.665 89.522 26.078 1.00 65.13 C
+ATOM 7327 O GLU B 872 30.971 90.659 25.872 1.00 66.35 O
+ATOM 7328 CB GLU B 872 28.896 87.662 25.872 1.00 64.79 C
+ATOM 7329 HB1 GLU B 872 28.100 87.302 25.220 1.00 0.00 H
+ATOM 7330 HB2 GLU B 872 29.633 86.872 26.017 1.00 0.00 H
+ATOM 7331 N GLY B 873 31.285 88.819 27.009 1.00 65.70 N
+ATOM 7332 H GLY B 873 31.172 87.787 27.068 1.00 0.00 H
+ATOM 7333 CA GLY B 873 32.136 89.543 27.954 1.00 65.57 C
+ATOM 7334 HA1 GLY B 873 32.319 90.522 27.510 1.00 0.00 H
+ATOM 7335 HA2 GLY B 873 31.548 89.662 28.864 1.00 0.00 H
+ATOM 7336 C GLY B 873 33.492 89.016 28.392 1.00 66.07 C
+ATOM 7337 O GLY B 873 34.190 89.716 29.142 1.00 67.41 O
+ATOM 7338 N GLY B 874 33.906 87.820 27.941 1.00 65.86 N
+ATOM 7339 H GLY B 874 33.351 87.347 27.199 1.00 0.00 H
+ATOM 7340 CA GLY B 874 35.141 87.136 28.466 1.00 64.72 C
+ATOM 7341 HA1 GLY B 874 34.955 86.924 29.519 1.00 0.00 H
+ATOM 7342 HA2 GLY B 874 35.234 86.198 27.918 1.00 0.00 H
+ATOM 7343 C GLY B 874 36.519 87.828 28.392 1.00 64.42 C
+ATOM 7344 O GLY B 874 36.627 88.939 27.851 1.00 63.79 O
+ATOM 7345 N LYS B 875 37.560 87.163 28.948 1.00 63.65 N
+ATOM 7346 H LYS B 875 37.354 86.300 29.490 1.00 0.00 H
+ATOM 7347 CA LYS B 875 38.977 87.591 28.831 1.00 62.59 C
+ATOM 7348 HA LYS B 875 39.022 88.656 29.060 1.00 0.00 H
+ATOM 7349 C LYS B 875 39.456 87.346 27.381 1.00 61.95 C
+ATOM 7350 O LYS B 875 39.370 86.210 26.837 1.00 62.92 O
+ATOM 7351 CB LYS B 875 39.922 86.930 29.875 1.00 61.84 C
+ATOM 7352 HB1 LYS B 875 39.588 87.188 30.880 1.00 0.00 H
+ATOM 7353 HB2 LYS B 875 39.899 85.847 29.750 1.00 0.00 H
+ATOM 7354 N VAL B 876 39.962 88.416 26.765 1.00 59.64 N
+ATOM 7355 H VAL B 876 40.238 89.236 27.342 1.00 0.00 H
+ATOM 7356 CA VAL B 876 40.144 88.487 25.331 1.00 56.97 C
+ATOM 7357 HA VAL B 876 40.240 87.553 24.778 1.00 0.00 H
+ATOM 7358 C VAL B 876 41.526 89.210 25.084 1.00 56.44 C
+ATOM 7359 O VAL B 876 41.916 90.109 25.849 1.00 56.65 O
+ATOM 7360 CB VAL B 876 38.847 89.162 24.812 1.00 57.08 C
+ATOM 7361 HB VAL B 876 38.043 88.916 25.506 1.00 0.00 H
+ATOM 7362 CG1 VAL B 876 38.929 90.701 24.905 1.00 55.84 C
+ATOM 7363 1HG1 VAL B 876 39.077 90.994 25.945 1.00 0.00 H
+ATOM 7364 2HG1 VAL B 876 39.766 91.056 24.304 1.00 0.00 H
+ATOM 7365 3HG1 VAL B 876 38.002 91.136 24.532 1.00 0.00 H
+ATOM 7366 CG2 VAL B 876 38.236 88.525 23.535 1.00 54.85 C
+ATOM 7367 1HG2 VAL B 876 38.960 88.577 22.722 1.00 0.00 H
+ATOM 7368 2HG2 VAL B 876 37.986 87.483 23.734 1.00 0.00 H
+ATOM 7369 3HG2 VAL B 876 37.334 89.069 23.255 1.00 0.00 H
+ATOM 7370 N PRO B 877 42.328 88.778 24.072 1.00 55.13 N
+ATOM 7371 CA PRO B 877 43.739 89.305 23.998 1.00 52.78 C
+ATOM 7372 HA PRO B 877 44.192 89.446 24.980 1.00 0.00 H
+ATOM 7373 C PRO B 877 43.822 90.725 23.338 1.00 50.75 C
+ATOM 7374 O PRO B 877 43.675 90.879 22.102 1.00 49.60 O
+ATOM 7375 CB PRO B 877 44.416 88.267 23.148 1.00 52.81 C
+ATOM 7376 HB1 PRO B 877 45.298 88.673 22.653 1.00 0.00 H
+ATOM 7377 HB2 PRO B 877 44.701 87.396 23.738 1.00 0.00 H
+ATOM 7378 CG PRO B 877 43.309 87.918 22.127 1.00 52.75 C
+ATOM 7379 HG1 PRO B 877 43.262 88.672 21.342 1.00 0.00 H
+ATOM 7380 HG2 PRO B 877 43.495 86.941 21.680 1.00 0.00 H
+ATOM 7381 CD PRO B 877 42.020 87.900 22.925 1.00 54.64 C
+ATOM 7382 HD1 PRO B 877 41.779 86.890 23.258 1.00 0.00 H
+ATOM 7383 HD2 PRO B 877 41.191 88.296 22.339 1.00 0.00 H
+ATOM 7384 N ILE B 878 44.039 91.745 24.177 1.00 48.11 N
+ATOM 7385 H ILE B 878 44.363 91.543 25.144 1.00 0.00 H
+ATOM 7386 CA ILE B 878 43.831 93.150 23.767 1.00 45.89 C
+ATOM 7387 HA ILE B 878 42.877 93.204 23.243 1.00 0.00 H
+ATOM 7388 C ILE B 878 44.907 93.641 22.753 1.00 43.37 C
+ATOM 7389 O ILE B 878 44.648 94.368 21.788 1.00 41.80 O
+ATOM 7390 CB ILE B 878 43.761 94.084 25.041 1.00 46.29 C
+ATOM 7391 HB ILE B 878 44.618 93.857 25.675 1.00 0.00 H
+ATOM 7392 CG1 ILE B 878 42.458 93.811 25.809 1.00 46.96 C
+ATOM 7393 1HG1 ILE B 878 42.348 92.732 25.920 1.00 0.00 H
+ATOM 7394 2HG1 ILE B 878 42.542 94.270 26.794 1.00 0.00 H
+ATOM 7395 CG2 ILE B 878 43.843 95.552 24.663 1.00 44.18 C
+ATOM 7396 1HG2 ILE B 878 44.785 95.741 24.148 1.00 0.00 H
+ATOM 7397 2HG2 ILE B 878 43.011 95.803 24.005 1.00 0.00 H
+ATOM 7398 3HG2 ILE B 878 43.792 96.162 25.565 1.00 0.00 H
+ATOM 7399 CD1 ILE B 878 41.179 94.359 25.128 1.00 47.92 C
+ATOM 7400 1HD1 ILE B 878 41.261 95.440 25.020 1.00 0.00 H
+ATOM 7401 2HD1 ILE B 878 41.068 93.902 24.145 1.00 0.00 H
+ATOM 7402 3HD1 ILE B 878 40.311 94.119 25.742 1.00 0.00 H
+ATOM 7403 N LYS B 879 46.123 93.206 23.011 1.00 40.97 N
+ATOM 7404 H LYS B 879 46.284 92.554 23.805 1.00 0.00 H
+ATOM 7405 CA LYS B 879 47.230 93.633 22.194 1.00 39.47 C
+ATOM 7406 HA LYS B 879 47.149 94.712 22.062 1.00 0.00 H
+ATOM 7407 C LYS B 879 47.184 93.118 20.712 1.00 37.39 C
+ATOM 7408 O LYS B 879 47.908 93.600 19.892 1.00 36.53 O
+ATOM 7409 CB LYS B 879 48.550 93.344 22.927 1.00 38.79 C
+ATOM 7410 HB1 LYS B 879 48.590 92.287 23.189 1.00 0.00 H
+ATOM 7411 HB2 LYS B 879 49.385 93.586 22.270 1.00 0.00 H
+ATOM 7412 CG LYS B 879 48.654 94.169 24.183 1.00 37.22 C
+ATOM 7413 HG1 LYS B 879 48.660 95.222 23.901 1.00 0.00 H
+ATOM 7414 HG2 LYS B 879 47.779 93.964 24.800 1.00 0.00 H
+ATOM 7415 CD LYS B 879 49.868 93.897 24.991 1.00 38.85 C
+ATOM 7416 HD1 LYS B 879 49.835 92.877 25.373 1.00 0.00 H
+ATOM 7417 HD2 LYS B 879 50.757 94.023 24.373 1.00 0.00 H
+ATOM 7418 CE LYS B 879 49.907 94.889 26.165 1.00 43.62 C
+ATOM 7419 HE1 LYS B 879 49.115 94.638 26.870 1.00 0.00 H
+ATOM 7420 HE2 LYS B 879 49.747 95.898 25.785 1.00 0.00 H
+ATOM 7421 NZ LYS B 879 51.240 94.835 26.878 1.00 44.01 N
+ATOM 7422 HZ1 LYS B 879 51.396 93.875 27.247 1.00 0.00 H
+ATOM 7423 HZ2 LYS B 879 51.999 95.078 26.210 1.00 0.00 H
+ATOM 7424 HZ3 LYS B 879 51.238 95.514 27.665 1.00 0.00 H
+ATOM 7425 N TRP B 880 46.303 92.171 20.395 1.00 35.84 N
+ATOM 7426 H TRP B 880 45.680 91.793 21.137 1.00 0.00 H
+ATOM 7427 CA TRP B 880 46.188 91.653 19.049 1.00 32.53 C
+ATOM 7428 HA TRP B 880 47.032 92.034 18.474 1.00 0.00 H
+ATOM 7429 C TRP B 880 44.910 92.075 18.463 1.00 33.19 C
+ATOM 7430 O TRP B 880 44.589 91.629 17.383 1.00 33.26 O
+ATOM 7431 CB TRP B 880 46.196 90.153 19.056 1.00 31.74 C
+ATOM 7432 HB1 TRP B 880 45.565 89.801 19.872 1.00 0.00 H
+ATOM 7433 HB2 TRP B 880 45.796 89.794 18.108 1.00 0.00 H
+ATOM 7434 CG TRP B 880 47.531 89.621 19.233 1.00 27.95 C
+ATOM 7435 CD1 TRP B 880 48.331 89.132 18.273 1.00 26.22 C
+ATOM 7436 HD1 TRP B 880 48.058 89.044 17.221 1.00 0.00 H
+ATOM 7437 CD2 TRP B 880 48.273 89.587 20.442 1.00 27.48 C
+ATOM 7438 NE1 TRP B 880 49.544 88.757 18.803 1.00 27.35 N
+ATOM 7439 HE1 TRP B 880 50.333 88.333 18.275 1.00 0.00 H
+ATOM 7440 CE2 TRP B 880 49.536 89.035 20.137 1.00 26.36 C
+ATOM 7441 CE3 TRP B 880 48.002 89.998 21.758 1.00 30.04 C
+ATOM 7442 HE3 TRP B 880 47.053 90.472 22.011 1.00 0.00 H
+ATOM 7443 CZ2 TRP B 880 50.536 88.882 21.079 1.00 26.71 C
+ATOM 7444 HZ2 TRP B 880 51.520 88.495 20.814 1.00 0.00 H
+ATOM 7445 CZ3 TRP B 880 48.953 89.790 22.709 1.00 28.34 C
+ATOM 7446 HZ3 TRP B 880 48.742 90.044 23.748 1.00 0.00 H
+ATOM 7447 CH2 TRP B 880 50.225 89.242 22.361 1.00 31.83 C
+ATOM 7448 HH2 TRP B 880 50.972 89.106 23.143 1.00 0.00 H
+ATOM 7449 N MET B 881 44.160 92.945 19.136 1.00 33.79 N
+ATOM 7450 H MET B 881 44.536 93.415 19.984 1.00 0.00 H
+ATOM 7451 CA MET B 881 42.809 93.233 18.674 1.00 33.06 C
+ATOM 7452 HA MET B 881 42.624 92.441 17.949 1.00 0.00 H
+ATOM 7453 C MET B 881 42.592 94.484 17.922 1.00 33.53 C
+ATOM 7454 O MET B 881 43.120 95.547 18.221 1.00 33.74 O
+ATOM 7455 CB MET B 881 41.843 93.213 19.860 1.00 35.08 C
+ATOM 7456 HB1 MET B 881 42.402 93.490 20.754 1.00 0.00 H
+ATOM 7457 HB2 MET B 881 41.067 93.955 19.674 1.00 0.00 H
+ATOM 7458 CG MET B 881 41.124 91.805 20.142 1.00 33.05 C
+ATOM 7459 HG1 MET B 881 41.817 90.981 19.972 1.00 0.00 H
+ATOM 7460 HG2 MET B 881 40.253 91.685 19.498 1.00 0.00 H
+ATOM 7461 SD MET B 881 40.614 91.868 21.921 1.00 41.76 S
+ATOM 7462 CE MET B 881 39.138 92.841 21.619 1.00 31.68 C
+ATOM 7463 HE1 MET B 881 39.418 93.791 21.164 1.00 0.00 H
+ATOM 7464 HE2 MET B 881 38.476 92.295 20.947 1.00 0.00 H
+ATOM 7465 HE3 MET B 881 38.627 93.026 22.564 1.00 0.00 H
+ATOM 7466 N ALA B 882 41.745 94.364 16.930 1.00 34.61 N
+ATOM 7467 H ALA B 882 41.412 93.415 16.663 1.00 0.00 H
+ATOM 7468 CA ALA B 882 41.267 95.490 16.207 1.00 36.67 C
+ATOM 7469 HA ALA B 882 42.097 96.003 15.721 1.00 0.00 H
+ATOM 7470 C ALA B 882 40.572 96.444 17.189 1.00 39.87 C
+ATOM 7471 O ALA B 882 40.038 96.031 18.280 1.00 39.73 O
+ATOM 7472 CB ALA B 882 40.313 95.046 15.171 1.00 35.10 C
+ATOM 7473 HB1 ALA B 882 40.814 94.362 14.486 1.00 0.00 H
+ATOM 7474 HB2 ALA B 882 39.474 94.537 15.646 1.00 0.00 H
+ATOM 7475 HB3 ALA B 882 39.949 95.912 14.619 1.00 0.00 H
+ATOM 7476 N LEU B 883 40.539 97.716 16.800 1.00 41.00 N
+ATOM 7477 H LEU B 883 40.835 97.984 15.840 1.00 0.00 H
+ATOM 7478 CA LEU B 883 40.086 98.715 17.733 1.00 41.89 C
+ATOM 7479 HA LEU B 883 40.526 98.555 18.717 1.00 0.00 H
+ATOM 7480 C LEU B 883 38.556 98.600 17.841 1.00 41.85 C
+ATOM 7481 O LEU B 883 38.042 98.766 18.919 1.00 41.51 O
+ATOM 7482 CB LEU B 883 40.532 100.112 17.282 1.00 42.44 C
+ATOM 7483 HB1 LEU B 883 41.622 100.135 17.260 1.00 0.00 H
+ATOM 7484 HB2 LEU B 883 40.146 100.289 16.278 1.00 0.00 H
+ATOM 7485 CG LEU B 883 40.044 101.239 18.192 1.00 42.04 C
+ATOM 7486 HG LEU B 883 39.024 100.994 18.488 1.00 0.00 H
+ATOM 7487 CD1 LEU B 883 40.840 101.335 19.524 1.00 42.10 C
+ATOM 7488 1HD1 LEU B 883 40.740 100.399 20.074 1.00 0.00 H
+ATOM 7489 2HD1 LEU B 883 41.892 101.519 19.305 1.00 0.00 H
+ATOM 7490 3HD1 LEU B 883 40.444 102.154 20.124 1.00 0.00 H
+ATOM 7491 CD2 LEU B 883 40.001 102.559 17.441 1.00 41.03 C
+ATOM 7492 1HD2 LEU B 883 41.001 102.804 17.082 1.00 0.00 H
+ATOM 7493 2HD2 LEU B 883 39.321 102.471 16.594 1.00 0.00 H
+ATOM 7494 3HD2 LEU B 883 39.651 103.345 18.110 1.00 0.00 H
+ATOM 7495 N GLU B 884 37.855 98.285 16.753 1.00 41.72 N
+ATOM 7496 H GLU B 884 38.335 98.200 15.834 1.00 0.00 H
+ATOM 7497 CA GLU B 884 36.410 98.058 16.845 1.00 43.78 C
+ATOM 7498 HA GLU B 884 36.007 99.032 17.123 1.00 0.00 H
+ATOM 7499 C GLU B 884 36.151 96.942 17.840 1.00 44.71 C
+ATOM 7500 O GLU B 884 35.169 96.996 18.552 1.00 46.02 O
+ATOM 7501 CB GLU B 884 35.718 97.615 15.562 1.00 43.86 C
+ATOM 7502 HB1 GLU B 884 35.558 96.539 15.634 1.00 0.00 H
+ATOM 7503 HB2 GLU B 884 34.754 98.122 15.521 1.00 0.00 H
+ATOM 7504 CG GLU B 884 36.416 97.877 14.259 1.00 49.73 C
+ATOM 7505 HG1 GLU B 884 35.711 97.699 13.447 1.00 0.00 H
+ATOM 7506 HG2 GLU B 884 36.733 98.920 14.240 1.00 0.00 H
+ATOM 7507 CD GLU B 884 37.651 96.987 14.037 1.00 46.87 C
+ATOM 7508 OE1 GLU B 884 37.529 96.016 13.248 1.00 42.82 O
+ATOM 7509 OE2 GLU B 884 38.702 97.264 14.697 1.00 50.83 O
+ATOM 7510 N SER B 885 37.023 95.947 17.895 1.00 44.56 N
+ATOM 7511 H SER B 885 37.898 95.998 17.335 1.00 0.00 H
+ATOM 7512 CA SER B 885 36.776 94.809 18.713 1.00 44.86 C
+ATOM 7513 HA SER B 885 35.770 94.439 18.515 1.00 0.00 H
+ATOM 7514 C SER B 885 36.938 95.239 20.145 1.00 45.29 C
+ATOM 7515 O SER B 885 36.191 94.778 21.011 1.00 46.49 O
+ATOM 7516 CB SER B 885 37.745 93.657 18.409 1.00 44.41 C
+ATOM 7517 HB1 SER B 885 37.594 92.861 19.138 1.00 0.00 H
+ATOM 7518 HB2 SER B 885 38.769 94.023 18.480 1.00 0.00 H
+ATOM 7519 OG SER B 885 37.531 93.153 17.136 1.00 41.86 O
+ATOM 7520 HG SER B 885 36.603 92.815 17.068 1.00 0.00 H
+ATOM 7521 N ILE B 886 37.913 96.091 20.418 1.00 45.85 N
+ATOM 7522 H ILE B 886 38.475 96.495 19.642 1.00 0.00 H
+ATOM 7523 CA ILE B 886 38.211 96.474 21.814 1.00 46.32 C
+ATOM 7524 HA ILE B 886 38.287 95.563 22.407 1.00 0.00 H
+ATOM 7525 C ILE B 886 37.066 97.385 22.364 1.00 48.11 C
+ATOM 7526 O ILE B 886 36.566 97.198 23.474 1.00 47.12 O
+ATOM 7527 CB ILE B 886 39.545 97.240 21.904 1.00 46.17 C
+ATOM 7528 HB ILE B 886 39.527 98.056 21.182 1.00 0.00 H
+ATOM 7529 CG1 ILE B 886 40.727 96.337 21.520 1.00 42.90 C
+ATOM 7530 1HG1 ILE B 886 40.900 95.633 22.334 1.00 0.00 H
+ATOM 7531 2HG1 ILE B 886 40.461 95.788 20.616 1.00 0.00 H
+ATOM 7532 CG2 ILE B 886 39.721 97.888 23.334 1.00 45.07 C
+ATOM 7533 1HG2 ILE B 886 38.902 98.583 23.520 1.00 0.00 H
+ATOM 7534 2HG2 ILE B 886 39.713 97.103 24.091 1.00 0.00 H
+ATOM 7535 3HG2 ILE B 886 40.669 98.424 23.375 1.00 0.00 H
+ATOM 7536 CD1 ILE B 886 42.002 97.085 21.262 1.00 36.88 C
+ATOM 7537 1HD1 ILE B 886 41.850 97.787 20.442 1.00 0.00 H
+ATOM 7538 2HD1 ILE B 886 42.290 97.631 22.161 1.00 0.00 H
+ATOM 7539 3HD1 ILE B 886 42.789 96.379 20.997 1.00 0.00 H
+ATOM 7540 N LEU B 887 36.648 98.332 21.512 1.00 49.99 N
+ATOM 7541 H LEU B 887 37.059 98.332 20.557 1.00 0.00 H
+ATOM 7542 CA LEU B 887 35.657 99.368 21.820 1.00 50.86 C
+ATOM 7543 HA LEU B 887 35.908 99.670 22.837 1.00 0.00 H
+ATOM 7544 C LEU B 887 34.234 98.868 21.808 1.00 52.08 C
+ATOM 7545 O LEU B 887 33.447 99.314 22.640 1.00 53.55 O
+ATOM 7546 CB LEU B 887 35.757 100.603 20.880 1.00 49.57 C
+ATOM 7547 HB1 LEU B 887 35.706 100.238 19.854 1.00 0.00 H
+ATOM 7548 HB2 LEU B 887 34.894 101.237 21.081 1.00 0.00 H
+ATOM 7549 CG LEU B 887 37.016 101.486 20.994 1.00 46.85 C
+ATOM 7550 HG LEU B 887 37.875 100.874 20.717 1.00 0.00 H
+ATOM 7551 CD1 LEU B 887 36.873 102.653 20.041 1.00 46.70 C
+ATOM 7552 1HD1 LEU B 887 36.772 102.278 19.022 1.00 0.00 H
+ATOM 7553 2HD1 LEU B 887 35.988 103.231 20.306 1.00 0.00 H
+ATOM 7554 3HD1 LEU B 887 37.757 103.287 20.110 1.00 0.00 H
+ATOM 7555 CD2 LEU B 887 37.331 101.939 22.393 1.00 40.62 C
+ATOM 7556 1HD2 LEU B 887 36.496 102.522 22.781 1.00 0.00 H
+ATOM 7557 2HD2 LEU B 887 37.494 101.068 23.028 1.00 0.00 H
+ATOM 7558 3HD2 LEU B 887 38.231 102.554 22.380 1.00 0.00 H
+ATOM 7559 N HIS B 888 33.898 97.984 20.867 1.00 52.14 N
+ATOM 7560 H HIS B 888 34.639 97.577 20.262 1.00 0.00 H
+ATOM 7561 CA HIS B 888 32.525 97.582 20.672 1.00 52.07 C
+ATOM 7562 HA HIS B 888 31.981 97.960 21.537 1.00 0.00 H
+ATOM 7563 C HIS B 888 32.364 96.094 20.599 1.00 51.74 C
+ATOM 7564 O HIS B 888 31.264 95.626 20.334 1.00 52.32 O
+ATOM 7565 CB HIS B 888 31.977 98.157 19.387 1.00 52.44 C
+ATOM 7566 HB1 HIS B 888 32.497 97.688 18.551 1.00 0.00 H
+ATOM 7567 HB2 HIS B 888 30.914 97.921 19.330 1.00 0.00 H
+ATOM 7568 CG HIS B 888 32.139 99.647 19.271 1.00 58.38 C
+ATOM 7569 ND1 HIS B 888 32.660 100.261 18.142 1.00 61.92 N
+ATOM 7570 CD2 HIS B 888 31.863 100.644 20.148 1.00 60.67 C
+ATOM 7571 HD2 HIS B 888 31.451 100.532 21.151 1.00 0.00 H
+ATOM 7572 CE1 HIS B 888 32.684 101.569 18.323 1.00 61.59 C
+ATOM 7573 HE1 HIS B 888 33.039 102.308 17.605 1.00 0.00 H
+ATOM 7574 NE2 HIS B 888 32.203 101.826 19.527 1.00 61.79 N
+ATOM 7575 N ARG B 889 33.453 95.343 20.784 1.00 50.89 N
+ATOM 7576 H ARG B 889 34.366 95.807 20.966 1.00 0.00 H
+ATOM 7577 CA ARG B 889 33.389 93.889 20.736 1.00 49.91 C
+ATOM 7578 HA ARG B 889 34.425 93.556 20.804 1.00 0.00 H
+ATOM 7579 C ARG B 889 32.786 93.329 19.453 1.00 48.78 C
+ATOM 7580 O ARG B 889 32.062 92.311 19.506 1.00 48.56 O
+ATOM 7581 CB ARG B 889 32.526 93.388 21.860 1.00 50.34 C
+ATOM 7582 HB1 ARG B 889 31.487 93.585 21.598 1.00 0.00 H
+ATOM 7583 HB2 ARG B 889 32.680 92.312 21.947 1.00 0.00 H
+ATOM 7584 CG ARG B 889 32.785 93.998 23.198 1.00 52.71 C
+ATOM 7585 HG1 ARG B 889 33.754 93.678 23.581 1.00 0.00 H
+ATOM 7586 HG2 ARG B 889 32.764 95.086 23.131 1.00 0.00 H
+ATOM 7587 CD ARG B 889 31.669 93.501 24.099 1.00 58.42 C
+ATOM 7588 HD1 ARG B 889 31.378 92.508 23.757 1.00 0.00 H
+ATOM 7589 HD2 ARG B 889 30.824 94.182 23.995 1.00 0.00 H
+ATOM 7590 NE ARG B 889 32.002 93.409 25.520 1.00 61.27 N
+ATOM 7591 HE ARG B 889 32.999 93.295 25.794 1.00 0.00 H
+ATOM 7592 CZ ARG B 889 31.075 93.466 26.480 1.00 61.24 C
+ATOM 7593 NH1 ARG B 889 29.785 93.600 26.139 1.00 61.73 N
+ATOM 7594 1HH1 ARG B 889 29.516 93.658 25.136 1.00 0.00 H
+ATOM 7595 2HH1 ARG B 889 29.054 93.646 26.877 1.00 0.00 H
+ATOM 7596 NH2 ARG B 889 31.424 93.373 27.753 1.00 58.23 N
+ATOM 7597 1HH2 ARG B 889 32.425 93.255 28.011 1.00 0.00 H
+ATOM 7598 2HH2 ARG B 889 30.698 93.418 28.496 1.00 0.00 H
+ATOM 7599 N ILE B 890 33.080 93.981 18.329 1.00 46.00 N
+ATOM 7600 H ILE B 890 33.603 94.877 18.399 1.00 0.00 H
+ATOM 7601 CA ILE B 890 32.705 93.501 17.009 1.00 44.97 C
+ATOM 7602 HA ILE B 890 31.910 92.760 17.091 1.00 0.00 H
+ATOM 7603 C ILE B 890 33.916 92.797 16.346 1.00 42.66 C
+ATOM 7604 O ILE B 890 35.050 93.264 16.431 1.00 42.53 O
+ATOM 7605 CB ILE B 890 32.130 94.674 16.149 1.00 46.01 C
+ATOM 7606 HB ILE B 890 32.804 95.513 16.322 1.00 0.00 H
+ATOM 7607 CG1 ILE B 890 30.672 94.900 16.544 1.00 50.86 C
+ATOM 7608 1HG1 ILE B 890 30.207 95.541 15.795 1.00 0.00 H
+ATOM 7609 2HG1 ILE B 890 30.165 93.935 16.560 1.00 0.00 H
+ATOM 7610 CG2 ILE B 890 32.031 94.356 14.659 1.00 47.21 C
+ATOM 7611 1HG2 ILE B 890 33.023 94.126 14.271 1.00 0.00 H
+ATOM 7612 2HG2 ILE B 890 31.375 93.497 14.515 1.00 0.00 H
+ATOM 7613 3HG2 ILE B 890 31.624 95.218 14.131 1.00 0.00 H
+ATOM 7614 CD1 ILE B 890 30.503 95.564 17.928 1.00 56.31 C
+ATOM 7615 1HD1 ILE B 890 30.953 94.930 18.691 1.00 0.00 H
+ATOM 7616 2HD1 ILE B 890 30.995 96.537 17.925 1.00 0.00 H
+ATOM 7617 3HD1 ILE B 890 29.442 95.693 18.141 1.00 0.00 H
+ATOM 7618 N TYR B 891 33.657 91.657 15.723 1.00 39.89 N
+ATOM 7619 H TYR B 891 32.671 91.330 15.682 1.00 0.00 H
+ATOM 7620 CA TYR B 891 34.681 90.841 15.095 1.00 37.12 C
+ATOM 7621 HA TYR B 891 35.604 91.420 15.067 1.00 0.00 H
+ATOM 7622 C TYR B 891 34.340 90.496 13.646 1.00 36.40 C
+ATOM 7623 O TYR B 891 33.227 90.034 13.364 1.00 36.49 O
+ATOM 7624 CB TYR B 891 34.892 89.600 15.902 1.00 35.58 C
+ATOM 7625 HB1 TYR B 891 33.934 89.092 16.013 1.00 0.00 H
+ATOM 7626 HB2 TYR B 891 35.586 88.952 15.367 1.00 0.00 H
+ATOM 7627 CG TYR B 891 35.459 89.876 17.290 1.00 35.27 C
+ATOM 7628 CD1 TYR B 891 36.840 89.775 17.529 1.00 31.48 C
+ATOM 7629 HD1 TYR B 891 37.509 89.519 16.708 1.00 0.00 H
+ATOM 7630 CD2 TYR B 891 34.608 90.248 18.387 1.00 35.03 C
+ATOM 7631 HD2 TYR B 891 33.537 90.354 18.216 1.00 0.00 H
+ATOM 7632 CE1 TYR B 891 37.368 89.998 18.803 1.00 30.39 C
+ATOM 7633 HE1 TYR B 891 38.439 89.911 18.984 1.00 0.00 H
+ATOM 7634 CE2 TYR B 891 35.123 90.478 19.674 1.00 28.89 C
+ATOM 7635 HE2 TYR B 891 34.466 90.757 20.498 1.00 0.00 H
+ATOM 7636 CZ TYR B 891 36.472 90.343 19.866 1.00 34.22 C
+ATOM 7637 OH TYR B 891 37.002 90.523 21.105 1.00 37.74 O
+ATOM 7638 HH TYR B 891 37.982 90.389 21.066 1.00 0.00 H
+ATOM 7639 N THR B 892 35.260 90.779 12.703 1.00 34.13 N
+ATOM 7640 H THR B 892 36.140 91.270 12.958 1.00 0.00 H
+ATOM 7641 CA THR B 892 35.008 90.389 11.322 1.00 31.80 C
+ATOM 7642 HA THR B 892 34.151 89.718 11.264 1.00 0.00 H
+ATOM 7643 C THR B 892 36.279 89.731 10.848 1.00 29.78 C
+ATOM 7644 O THR B 892 37.231 89.659 11.572 1.00 31.04 O
+ATOM 7645 CB THR B 892 34.648 91.581 10.434 1.00 32.36 C
+ATOM 7646 HB THR B 892 34.258 91.189 9.494 1.00 0.00 H
+ATOM 7647 OG1 THR B 892 35.819 92.371 10.220 1.00 37.04 O
+ATOM 7648 HG1 THR B 892 35.593 93.145 9.646 1.00 0.00 H
+ATOM 7649 CG2 THR B 892 33.580 92.454 11.055 1.00 29.54 C
+ATOM 7650 1HG2 THR B 892 33.941 92.847 12.006 1.00 0.00 H
+ATOM 7651 2HG2 THR B 892 33.352 93.281 10.382 1.00 0.00 H
+ATOM 7652 3HG2 THR B 892 32.681 91.862 11.223 1.00 0.00 H
+ATOM 7653 N HIS B 893 36.275 89.191 9.671 1.00 28.35 N
+ATOM 7654 H HIS B 893 35.369 89.035 9.184 1.00 0.00 H
+ATOM 7655 CA HIS B 893 37.495 88.805 9.028 1.00 29.78 C
+ATOM 7656 HA HIS B 893 37.934 87.986 9.597 1.00 0.00 H
+ATOM 7657 C HIS B 893 38.478 89.999 8.992 1.00 30.15 C
+ATOM 7658 O HIS B 893 39.696 89.816 9.148 1.00 29.34 O
+ATOM 7659 CB HIS B 893 37.227 88.335 7.606 1.00 28.97 C
+ATOM 7660 HB1 HIS B 893 36.919 89.194 7.010 1.00 0.00 H
+ATOM 7661 HB2 HIS B 893 38.150 87.924 7.198 1.00 0.00 H
+ATOM 7662 CG HIS B 893 36.166 87.293 7.516 1.00 33.03 C
+ATOM 7663 ND1 HIS B 893 36.212 86.117 8.262 1.00 34.28 N
+ATOM 7664 CD2 HIS B 893 35.008 87.252 6.800 1.00 30.22 C
+ATOM 7665 HD2 HIS B 893 34.647 88.010 6.105 1.00 0.00 H
+ATOM 7666 CE1 HIS B 893 35.132 85.395 7.984 1.00 32.96 C
+ATOM 7667 HE1 HIS B 893 34.901 84.412 8.395 1.00 0.00 H
+ATOM 7668 NE2 HIS B 893 34.380 86.069 7.122 1.00 35.08 N
+ATOM 7669 N GLN B 894 37.922 91.221 8.851 1.00 30.17 N
+ATOM 7670 H GLN B 894 36.891 91.300 8.738 1.00 0.00 H
+ATOM 7671 CA GLN B 894 38.727 92.422 8.854 1.00 28.90 C
+ATOM 7672 HA GLN B 894 39.556 92.256 8.166 1.00 0.00 H
+ATOM 7673 C GLN B 894 39.364 92.653 10.180 1.00 28.55 C
+ATOM 7674 O GLN B 894 40.407 93.251 10.200 1.00 29.16 O
+ATOM 7675 CB GLN B 894 38.025 93.638 8.239 1.00 29.61 C
+ATOM 7676 HB1 GLN B 894 37.097 93.821 8.781 1.00 0.00 H
+ATOM 7677 HB2 GLN B 894 38.677 94.506 8.334 1.00 0.00 H
+ATOM 7678 CG GLN B 894 37.691 93.419 6.723 1.00 27.04 C
+ATOM 7679 HG1 GLN B 894 36.896 92.678 6.640 1.00 0.00 H
+ATOM 7680 HG2 GLN B 894 37.352 94.363 6.296 1.00 0.00 H
+ATOM 7681 CD GLN B 894 38.971 92.903 5.896 1.00 31.47 C
+ATOM 7682 OE1 GLN B 894 39.056 91.731 5.518 1.00 34.74 O
+ATOM 7683 NE2 GLN B 894 39.897 93.808 5.582 1.00 29.03 N
+ATOM 7684 1HE2 GLN B 894 40.717 93.534 5.005 1.00 0.00 H
+ATOM 7685 2HE2 GLN B 894 39.800 94.789 5.914 1.00 0.00 H
+ATOM 7686 N SER B 895 38.842 92.109 11.284 1.00 26.48 N
+ATOM 7687 H SER B 895 37.966 91.550 11.256 1.00 0.00 H
+ATOM 7688 CA SER B 895 39.550 92.335 12.505 1.00 25.32 C
+ATOM 7689 HA SER B 895 40.083 93.283 12.438 1.00 0.00 H
+ATOM 7690 C SER B 895 40.590 91.236 12.698 1.00 25.60 C
+ATOM 7691 O SER B 895 41.597 91.403 13.432 1.00 26.36 O
+ATOM 7692 CB SER B 895 38.618 92.519 13.693 1.00 26.17 C
+ATOM 7693 HB1 SER B 895 37.999 93.397 13.508 1.00 0.00 H
+ATOM 7694 HB2 SER B 895 39.227 92.685 14.582 1.00 0.00 H
+ATOM 7695 OG SER B 895 37.764 91.421 13.941 1.00 31.12 O
+ATOM 7696 HG SER B 895 38.309 90.615 14.123 1.00 0.00 H
+ATOM 7697 N ASP B 896 40.383 90.106 12.030 1.00 24.96 N
+ATOM 7698 H ASP B 896 39.472 89.936 11.558 1.00 0.00 H
+ATOM 7699 CA ASP B 896 41.429 89.118 11.964 1.00 26.80 C
+ATOM 7700 HA ASP B 896 41.725 88.873 12.984 1.00 0.00 H
+ATOM 7701 C ASP B 896 42.638 89.701 11.197 1.00 26.73 C
+ATOM 7702 O ASP B 896 43.764 89.486 11.588 1.00 27.17 O
+ATOM 7703 CB ASP B 896 40.956 87.808 11.322 1.00 26.71 C
+ATOM 7704 HB1 ASP B 896 40.308 88.047 10.478 1.00 0.00 H
+ATOM 7705 HB2 ASP B 896 41.828 87.260 10.965 1.00 0.00 H
+ATOM 7706 CG ASP B 896 40.151 86.880 12.335 1.00 32.06 C
+ATOM 7707 OD1 ASP B 896 39.389 86.004 11.796 1.00 29.77 O
+ATOM 7708 OD2 ASP B 896 40.292 87.046 13.608 1.00 27.24 O
+ATOM 7709 N VAL B 897 42.385 90.490 10.150 1.00 26.67 N
+ATOM 7710 H VAL B 897 41.404 90.643 9.840 1.00 0.00 H
+ATOM 7711 CA VAL B 897 43.453 91.120 9.460 1.00 26.72 C
+ATOM 7712 HA VAL B 897 44.104 90.339 9.068 1.00 0.00 H
+ATOM 7713 C VAL B 897 44.353 91.953 10.398 1.00 26.87 C
+ATOM 7714 O VAL B 897 45.592 91.841 10.363 1.00 26.63 O
+ATOM 7715 CB VAL B 897 42.955 91.876 8.306 1.00 26.55 C
+ATOM 7716 HB VAL B 897 42.147 92.549 8.593 1.00 0.00 H
+ATOM 7717 CG1 VAL B 897 44.102 92.645 7.752 1.00 26.52 C
+ATOM 7718 1HG1 VAL B 897 44.487 93.321 8.515 1.00 0.00 H
+ATOM 7719 2HG1 VAL B 897 44.888 91.954 7.447 1.00 0.00 H
+ATOM 7720 3HG1 VAL B 897 43.768 93.222 6.889 1.00 0.00 H
+ATOM 7721 CG2 VAL B 897 42.444 90.921 7.282 1.00 24.35 C
+ATOM 7722 1HG2 VAL B 897 43.252 90.260 6.968 1.00 0.00 H
+ATOM 7723 2HG2 VAL B 897 41.635 90.329 7.711 1.00 0.00 H
+ATOM 7724 3HG2 VAL B 897 42.072 91.477 6.422 1.00 0.00 H
+ATOM 7725 N TRP B 898 43.736 92.656 11.354 1.00 26.78 N
+ATOM 7726 H TRP B 898 42.698 92.648 11.423 1.00 0.00 H
+ATOM 7727 CA TRP B 898 44.517 93.421 12.284 1.00 24.85 C
+ATOM 7728 HA TRP B 898 45.140 94.134 11.744 1.00 0.00 H
+ATOM 7729 C TRP B 898 45.389 92.499 13.059 1.00 25.44 C
+ATOM 7730 O TRP B 898 46.547 92.802 13.305 1.00 26.47 O
+ATOM 7731 CB TRP B 898 43.594 94.206 13.223 1.00 25.29 C
+ATOM 7732 HB1 TRP B 898 42.972 94.864 12.616 1.00 0.00 H
+ATOM 7733 HB2 TRP B 898 42.960 93.493 13.751 1.00 0.00 H
+ATOM 7734 CG TRP B 898 44.327 95.069 14.274 1.00 22.26 C
+ATOM 7735 CD1 TRP B 898 45.196 94.632 15.213 1.00 24.21 C
+ATOM 7736 HD1 TRP B 898 45.480 93.591 15.365 1.00 0.00 H
+ATOM 7737 CD2 TRP B 898 44.240 96.504 14.428 1.00 19.19 C
+ATOM 7738 NE1 TRP B 898 45.678 95.713 15.963 1.00 28.96 N
+ATOM 7739 HE1 TRP B 898 46.382 95.663 16.727 1.00 0.00 H
+ATOM 7740 CE2 TRP B 898 45.050 96.859 15.505 1.00 23.46 C
+ATOM 7741 CE3 TRP B 898 43.517 97.499 13.770 1.00 22.36 C
+ATOM 7742 HE3 TRP B 898 42.901 97.254 12.905 1.00 0.00 H
+ATOM 7743 CZ2 TRP B 898 45.184 98.160 15.927 1.00 22.37 C
+ATOM 7744 HZ2 TRP B 898 45.849 98.428 16.748 1.00 0.00 H
+ATOM 7745 CZ3 TRP B 898 43.590 98.757 14.216 1.00 23.21 C
+ATOM 7746 HZ3 TRP B 898 42.975 99.529 13.753 1.00 0.00 H
+ATOM 7747 CH2 TRP B 898 44.449 99.097 15.273 1.00 22.96 C
+ATOM 7748 HH2 TRP B 898 44.528 100.141 15.577 1.00 0.00 H
+ATOM 7749 N SER B 899 44.847 91.379 13.534 1.00 26.63 N
+ATOM 7750 H SER B 899 43.848 91.155 13.353 1.00 0.00 H
+ATOM 7751 CA SER B 899 45.705 90.448 14.334 1.00 26.32 C
+ATOM 7752 HA SER B 899 46.179 91.073 15.091 1.00 0.00 H
+ATOM 7753 C SER B 899 46.788 89.797 13.515 1.00 24.41 C
+ATOM 7754 O SER B 899 47.819 89.442 14.046 1.00 22.58 O
+ATOM 7755 CB SER B 899 44.864 89.344 15.021 1.00 27.01 C
+ATOM 7756 HB1 SER B 899 45.479 88.784 15.725 1.00 0.00 H
+ATOM 7757 HB2 SER B 899 44.455 88.662 14.275 1.00 0.00 H
+ATOM 7758 OG SER B 899 43.828 90.001 15.698 1.00 31.29 O
+ATOM 7759 HG SER B 899 44.213 90.622 16.366 1.00 0.00 H
+ATOM 7760 N TYR B 900 46.498 89.600 12.236 1.00 23.87 N
+ATOM 7761 H TYR B 900 45.527 89.768 11.902 1.00 0.00 H
+ATOM 7762 CA TYR B 900 47.489 89.163 11.309 1.00 25.50 C
+ATOM 7763 HA TYR B 900 47.854 88.176 11.594 1.00 0.00 H
+ATOM 7764 C TYR B 900 48.693 90.154 11.328 1.00 26.20 C
+ATOM 7765 O TYR B 900 49.849 89.728 11.464 1.00 25.87 O
+ATOM 7766 CB TYR B 900 46.886 89.058 9.928 1.00 25.44 C
+ATOM 7767 HB1 TYR B 900 46.066 88.340 9.960 1.00 0.00 H
+ATOM 7768 HB2 TYR B 900 46.500 90.036 9.642 1.00 0.00 H
+ATOM 7769 CG TYR B 900 47.886 88.606 8.880 1.00 28.54 C
+ATOM 7770 CD1 TYR B 900 48.605 89.561 8.100 1.00 29.06 C
+ATOM 7771 HD1 TYR B 900 48.431 90.626 8.253 1.00 0.00 H
+ATOM 7772 CD2 TYR B 900 48.200 87.243 8.713 1.00 26.06 C
+ATOM 7773 HD2 TYR B 900 47.718 86.498 9.346 1.00 0.00 H
+ATOM 7774 CE1 TYR B 900 49.531 89.141 7.141 1.00 28.36 C
+ATOM 7775 HE1 TYR B 900 50.055 89.873 6.526 1.00 0.00 H
+ATOM 7776 CE2 TYR B 900 49.121 86.834 7.747 1.00 26.55 C
+ATOM 7777 HE2 TYR B 900 49.319 85.772 7.602 1.00 0.00 H
+ATOM 7778 CZ TYR B 900 49.782 87.766 6.976 1.00 26.68 C
+ATOM 7779 OH TYR B 900 50.697 87.353 6.032 1.00 24.48 O
+ATOM 7780 HH TYR B 900 50.247 86.770 5.371 1.00 0.00 H
+ATOM 7781 N GLY B 901 48.398 91.459 11.270 1.00 26.60 N
+ATOM 7782 H GLY B 901 47.400 91.746 11.214 1.00 0.00 H
+ATOM 7783 CA GLY B 901 49.444 92.507 11.283 1.00 26.69 C
+ATOM 7784 HA1 GLY B 901 50.074 92.399 10.400 1.00 0.00 H
+ATOM 7785 HA2 GLY B 901 48.971 93.489 11.272 1.00 0.00 H
+ATOM 7786 C GLY B 901 50.300 92.376 12.530 1.00 28.08 C
+ATOM 7787 O GLY B 901 51.548 92.370 12.454 1.00 28.86 O
+ATOM 7788 N VAL B 902 49.666 92.192 13.694 1.00 26.96 N
+ATOM 7789 H VAL B 902 48.628 92.140 13.721 1.00 0.00 H
+ATOM 7790 CA VAL B 902 50.441 92.064 14.931 1.00 25.39 C
+ATOM 7791 HA VAL B 902 51.100 92.930 14.992 1.00 0.00 H
+ATOM 7792 C VAL B 902 51.270 90.812 14.905 1.00 25.51 C
+ATOM 7793 O VAL B 902 52.413 90.831 15.387 1.00 27.39 O
+ATOM 7794 CB VAL B 902 49.541 92.070 16.169 1.00 25.63 C
+ATOM 7795 HB VAL B 902 48.904 91.187 16.116 1.00 0.00 H
+ATOM 7796 CG1 VAL B 902 50.350 92.004 17.416 1.00 24.75 C
+ATOM 7797 1HG1 VAL B 902 50.940 91.088 17.416 1.00 0.00 H
+ATOM 7798 2HG1 VAL B 902 51.015 92.866 17.462 1.00 0.00 H
+ATOM 7799 3HG1 VAL B 902 49.685 92.010 18.280 1.00 0.00 H
+ATOM 7800 CG2 VAL B 902 48.663 93.314 16.195 1.00 25.55 C
+ATOM 7801 1HG2 VAL B 902 49.294 94.202 16.215 1.00 0.00 H
+ATOM 7802 2HG2 VAL B 902 48.035 93.333 15.304 1.00 0.00 H
+ATOM 7803 3HG2 VAL B 902 48.033 93.294 17.084 1.00 0.00 H
+ATOM 7804 N THR B 903 50.730 89.731 14.335 1.00 24.64 N
+ATOM 7805 H THR B 903 49.794 89.818 13.889 1.00 0.00 H
+ATOM 7806 CA THR B 903 51.395 88.439 14.312 1.00 23.98 C
+ATOM 7807 HA THR B 903 51.681 88.141 15.321 1.00 0.00 H
+ATOM 7808 C THR B 903 52.623 88.570 13.425 1.00 25.05 C
+ATOM 7809 O THR B 903 53.703 88.058 13.764 1.00 24.92 O
+ATOM 7810 CB THR B 903 50.438 87.347 13.745 1.00 24.77 C
+ATOM 7811 HB THR B 903 50.188 87.638 12.725 1.00 0.00 H
+ATOM 7812 OG1 THR B 903 49.340 87.281 14.649 1.00 28.31 O
+ATOM 7813 HG1 THR B 903 48.893 88.164 14.689 1.00 0.00 H
+ATOM 7814 CG2 THR B 903 51.038 85.918 13.643 1.00 17.60 C
+ATOM 7815 1HG2 THR B 903 51.372 85.594 14.629 1.00 0.00 H
+ATOM 7816 2HG2 THR B 903 50.277 85.231 13.272 1.00 0.00 H
+ATOM 7817 3HG2 THR B 903 51.885 85.929 12.957 1.00 0.00 H
+ATOM 7818 N VAL B 904 52.474 89.231 12.293 1.00 25.08 N
+ATOM 7819 H VAL B 904 51.545 89.610 12.019 1.00 0.00 H
+ATOM 7820 CA VAL B 904 53.633 89.419 11.437 1.00 26.65 C
+ATOM 7821 HA VAL B 904 54.004 88.422 11.199 1.00 0.00 H
+ATOM 7822 C VAL B 904 54.699 90.243 12.177 1.00 28.12 C
+ATOM 7823 O VAL B 904 55.922 89.936 12.066 1.00 28.67 O
+ATOM 7824 CB VAL B 904 53.301 90.114 10.104 1.00 27.43 C
+ATOM 7825 HB VAL B 904 52.731 91.014 10.335 1.00 0.00 H
+ATOM 7826 CG1 VAL B 904 54.587 90.496 9.380 1.00 28.11 C
+ATOM 7827 1HG1 VAL B 904 55.166 91.176 10.005 1.00 0.00 H
+ATOM 7828 2HG1 VAL B 904 55.171 89.597 9.181 1.00 0.00 H
+ATOM 7829 3HG1 VAL B 904 54.340 90.987 8.439 1.00 0.00 H
+ATOM 7830 CG2 VAL B 904 52.449 89.257 9.223 1.00 24.83 C
+ATOM 7831 1HG2 VAL B 904 52.976 88.329 9.002 1.00 0.00 H
+ATOM 7832 2HG2 VAL B 904 51.512 89.032 9.733 1.00 0.00 H
+ATOM 7833 3HG2 VAL B 904 52.240 89.788 8.294 1.00 0.00 H
+ATOM 7834 N TRP B 905 54.251 91.257 12.938 1.00 28.02 N
+ATOM 7835 H TRP B 905 53.232 91.461 12.970 1.00 0.00 H
+ATOM 7836 CA TRP B 905 55.175 92.079 13.722 1.00 28.08 C
+ATOM 7837 HA TRP B 905 55.921 92.526 13.064 1.00 0.00 H
+ATOM 7838 C TRP B 905 55.895 91.203 14.739 1.00 29.58 C
+ATOM 7839 O TRP B 905 57.145 91.353 14.903 1.00 29.81 O
+ATOM 7840 CB TRP B 905 54.420 93.204 14.399 1.00 28.25 C
+ATOM 7841 HB1 TRP B 905 53.875 93.753 13.631 1.00 0.00 H
+ATOM 7842 HB2 TRP B 905 53.712 92.760 15.098 1.00 0.00 H
+ATOM 7843 CG TRP B 905 55.245 94.162 15.139 1.00 31.35 C
+ATOM 7844 CD1 TRP B 905 55.712 95.392 14.678 1.00 34.51 C
+ATOM 7845 HD1 TRP B 905 55.524 95.800 13.685 1.00 0.00 H
+ATOM 7846 CD2 TRP B 905 55.691 94.053 16.486 1.00 30.68 C
+ATOM 7847 NE1 TRP B 905 56.438 96.008 15.652 1.00 31.48 N
+ATOM 7848 HE1 TRP B 905 56.925 96.921 15.553 1.00 0.00 H
+ATOM 7849 CE2 TRP B 905 56.425 95.237 16.779 1.00 30.97 C
+ATOM 7850 CE3 TRP B 905 55.519 93.079 17.491 1.00 32.72 C
+ATOM 7851 HE3 TRP B 905 54.934 92.180 17.296 1.00 0.00 H
+ATOM 7852 CZ2 TRP B 905 57.053 95.463 18.024 1.00 34.84 C
+ATOM 7853 HZ2 TRP B 905 57.629 96.369 18.209 1.00 0.00 H
+ATOM 7854 CZ3 TRP B 905 56.109 93.284 18.738 1.00 36.40 C
+ATOM 7855 HZ3 TRP B 905 55.975 92.542 19.526 1.00 0.00 H
+ATOM 7856 CH2 TRP B 905 56.910 94.490 19.003 1.00 35.03 C
+ATOM 7857 HH2 TRP B 905 57.393 94.619 19.972 1.00 0.00 H
+ATOM 7858 N GLU B 906 55.157 90.299 15.445 1.00 28.79 N
+ATOM 7859 H GLU B 906 54.126 90.232 15.327 1.00 0.00 H
+ATOM 7860 CA GLU B 906 55.873 89.430 16.372 1.00 29.29 C
+ATOM 7861 HA GLU B 906 56.324 90.116 17.089 1.00 0.00 H
+ATOM 7862 C GLU B 906 56.913 88.582 15.632 1.00 28.73 C
+ATOM 7863 O GLU B 906 58.005 88.314 16.155 1.00 28.05 O
+ATOM 7864 CB GLU B 906 54.983 88.445 17.105 1.00 30.67 C
+ATOM 7865 HB1 GLU B 906 54.593 87.745 16.366 1.00 0.00 H
+ATOM 7866 HB2 GLU B 906 55.609 87.908 17.818 1.00 0.00 H
+ATOM 7867 CG GLU B 906 53.816 88.993 17.860 1.00 34.30 C
+ATOM 7868 HG1 GLU B 906 54.165 89.506 18.756 1.00 0.00 H
+ATOM 7869 HG2 GLU B 906 53.267 89.694 17.231 1.00 0.00 H
+ATOM 7870 CD GLU B 906 52.901 87.825 18.255 1.00 42.62 C
+ATOM 7871 OE1 GLU B 906 53.331 87.049 19.188 1.00 44.46 O
+ATOM 7872 OE2 GLU B 906 51.779 87.680 17.637 1.00 40.25 O
+ATOM 7873 N LEU B 907 56.602 88.147 14.412 1.00 29.02 N
+ATOM 7874 H LEU B 907 55.682 88.379 13.987 1.00 0.00 H
+ATOM 7875 CA LEU B 907 57.587 87.328 13.671 1.00 29.65 C
+ATOM 7876 HA LEU B 907 57.869 86.514 14.339 1.00 0.00 H
+ATOM 7877 C LEU B 907 58.809 88.189 13.296 1.00 29.93 C
+ATOM 7878 O LEU B 907 59.935 87.734 13.450 1.00 28.08 O
+ATOM 7879 CB LEU B 907 57.023 86.704 12.403 1.00 28.42 C
+ATOM 7880 HB1 LEU B 907 56.716 87.528 11.759 1.00 0.00 H
+ATOM 7881 HB2 LEU B 907 57.842 86.161 11.931 1.00 0.00 H
+ATOM 7882 CG LEU B 907 55.847 85.745 12.473 1.00 30.83 C
+ATOM 7883 HG LEU B 907 54.937 86.267 12.770 1.00 0.00 H
+ATOM 7884 CD1 LEU B 907 55.529 85.153 11.037 1.00 21.59 C
+ATOM 7885 1HD1 LEU B 907 55.283 85.968 10.356 1.00 0.00 H
+ATOM 7886 2HD1 LEU B 907 56.402 84.618 10.665 1.00 0.00 H
+ATOM 7887 3HD1 LEU B 907 54.684 84.468 11.107 1.00 0.00 H
+ATOM 7888 CD2 LEU B 907 56.111 84.671 13.588 1.00 24.62 C
+ATOM 7889 1HD2 LEU B 907 57.018 84.116 13.349 1.00 0.00 H
+ATOM 7890 2HD2 LEU B 907 56.231 85.170 14.550 1.00 0.00 H
+ATOM 7891 3HD2 LEU B 907 55.266 83.984 13.636 1.00 0.00 H
+ATOM 7892 N MET B 908 58.551 89.416 12.841 1.00 30.63 N
+ATOM 7893 H MET B 908 57.569 89.758 12.859 1.00 0.00 H
+ATOM 7894 CA MET B 908 59.603 90.311 12.312 1.00 32.79 C
+ATOM 7895 HA MET B 908 60.199 89.717 11.620 1.00 0.00 H
+ATOM 7896 C MET B 908 60.536 90.814 13.415 1.00 33.97 C
+ATOM 7897 O MET B 908 61.714 91.144 13.150 1.00 33.97 O
+ATOM 7898 CB MET B 908 59.001 91.490 11.537 1.00 32.79 C
+ATOM 7899 HB1 MET B 908 58.374 92.070 12.214 1.00 0.00 H
+ATOM 7900 HB2 MET B 908 59.812 92.118 11.168 1.00 0.00 H
+ATOM 7901 CG MET B 908 58.150 91.034 10.345 1.00 33.26 C
+ATOM 7902 HG1 MET B 908 57.826 91.893 9.758 1.00 0.00 H
+ATOM 7903 HG2 MET B 908 57.276 90.481 10.690 1.00 0.00 H
+ATOM 7904 SD MET B 908 59.227 89.962 9.357 1.00 37.11 S
+ATOM 7905 CE MET B 908 58.153 89.260 8.101 1.00 33.42 C
+ATOM 7906 HE1 MET B 908 57.354 88.696 8.582 1.00 0.00 H
+ATOM 7907 HE2 MET B 908 57.723 90.063 7.502 1.00 0.00 H
+ATOM 7908 HE3 MET B 908 58.732 88.596 7.459 1.00 0.00 H
+ATOM 7909 N THR B 909 60.048 90.797 14.659 1.00 33.86 N
+ATOM 7910 H THR B 909 59.063 90.515 14.840 1.00 0.00 H
+ATOM 7911 CA THR B 909 60.929 91.183 15.759 1.00 33.09 C
+ATOM 7912 HA THR B 909 61.759 91.745 15.331 1.00 0.00 H
+ATOM 7913 C THR B 909 61.432 89.963 16.456 1.00 33.73 C
+ATOM 7914 O THR B 909 61.922 90.044 17.561 1.00 34.50 O
+ATOM 7915 CB THR B 909 60.209 92.091 16.785 1.00 32.84 C
+ATOM 7916 HB THR B 909 60.935 92.379 17.545 1.00 0.00 H
+ATOM 7917 OG1 THR B 909 59.099 91.376 17.398 1.00 34.02 O
+ATOM 7918 HG1 THR B 909 58.648 91.967 18.051 1.00 0.00 H
+ATOM 7919 CG2 THR B 909 59.664 93.312 16.110 1.00 28.44 C
+ATOM 7920 1HG2 THR B 909 58.944 93.014 15.348 1.00 0.00 H
+ATOM 7921 2HG2 THR B 909 59.172 93.945 16.849 1.00 0.00 H
+ATOM 7922 3HG2 THR B 909 60.481 93.863 15.644 1.00 0.00 H
+ATOM 7923 N PHE B 910 61.279 88.800 15.844 1.00 34.99 N
+ATOM 7924 H PHE B 910 60.817 88.766 14.913 1.00 0.00 H
+ATOM 7925 CA PHE B 910 61.757 87.550 16.468 1.00 35.42 C
+ATOM 7926 HA PHE B 910 61.411 86.743 15.822 1.00 0.00 H
+ATOM 7927 C PHE B 910 61.167 87.317 17.857 1.00 37.34 C
+ATOM 7928 O PHE B 910 61.864 86.891 18.784 1.00 38.76 O
+ATOM 7929 CB PHE B 910 63.279 87.519 16.547 1.00 34.15 C
+ATOM 7930 HB1 PHE B 910 63.613 88.370 17.141 1.00 0.00 H
+ATOM 7931 HB2 PHE B 910 63.582 86.594 17.037 1.00 0.00 H
+ATOM 7932 CG PHE B 910 63.929 87.585 15.225 1.00 33.75 C
+ATOM 7933 CD1 PHE B 910 63.895 86.475 14.363 1.00 32.19 C
+ATOM 7934 HD1 PHE B 910 63.415 85.554 14.695 1.00 0.00 H
+ATOM 7935 CD2 PHE B 910 64.528 88.772 14.790 1.00 31.63 C
+ATOM 7936 HD2 PHE B 910 64.521 89.655 15.429 1.00 0.00 H
+ATOM 7937 CE1 PHE B 910 64.447 86.528 13.127 1.00 31.96 C
+ATOM 7938 HE1 PHE B 910 64.396 85.664 12.465 1.00 0.00 H
+ATOM 7939 CE2 PHE B 910 65.133 88.820 13.536 1.00 31.30 C
+ATOM 7940 HE2 PHE B 910 65.640 89.727 13.209 1.00 0.00 H
+ATOM 7941 CZ PHE B 910 65.088 87.709 12.704 1.00 32.92 C
+ATOM 7942 HZ PHE B 910 65.551 87.751 11.718 1.00 0.00 H
+ATOM 7943 N GLY B 911 59.877 87.578 17.997 1.00 38.24 N
+ATOM 7944 H GLY B 911 59.370 88.100 17.254 1.00 0.00 H
+ATOM 7945 CA GLY B 911 59.184 87.147 19.160 1.00 39.90 C
+ATOM 7946 HA1 GLY B 911 58.179 86.852 18.858 1.00 0.00 H
+ATOM 7947 HA2 GLY B 911 59.712 86.281 19.559 1.00 0.00 H
+ATOM 7948 C GLY B 911 59.050 88.162 20.279 1.00 40.70 C
+ATOM 7949 O GLY B 911 58.852 87.816 21.459 1.00 41.13 O
+ATOM 7950 N SER B 912 59.120 89.418 19.942 1.00 40.04 N
+ATOM 7951 H SER B 912 59.186 89.727 18.951 1.00 0.00 H
+ATOM 7952 CA SER B 912 59.099 90.329 21.021 1.00 40.62 C
+ATOM 7953 HA SER B 912 59.473 89.911 21.956 1.00 0.00 H
+ATOM 7954 C SER B 912 57.614 90.695 21.348 1.00 41.76 C
+ATOM 7955 O SER B 912 56.682 90.466 20.534 1.00 42.15 O
+ATOM 7956 CB SER B 912 60.084 91.493 20.712 1.00 40.53 C
+ATOM 7957 HB1 SER B 912 60.917 91.113 20.120 1.00 0.00 H
+ATOM 7958 HB2 SER B 912 60.462 91.903 21.648 1.00 0.00 H
+ATOM 7959 OG SER B 912 59.432 92.501 19.997 1.00 40.30 O
+ATOM 7960 HG SER B 912 59.090 92.131 19.145 1.00 0.00 H
+ATOM 7961 N LYS B 913 57.364 91.212 22.555 1.00 42.53 N
+ATOM 7962 H LYS B 913 58.166 91.449 23.174 1.00 0.00 H
+ATOM 7963 CA LYS B 913 55.992 91.460 23.043 1.00 41.56 C
+ATOM 7964 HA LYS B 913 55.368 90.655 22.655 1.00 0.00 H
+ATOM 7965 C LYS B 913 55.376 92.742 22.544 1.00 40.91 C
+ATOM 7966 O LYS B 913 55.904 93.816 22.716 1.00 41.90 O
+ATOM 7967 CB LYS B 913 56.028 91.490 24.552 1.00 41.80 C
+ATOM 7968 HB1 LYS B 913 56.650 92.322 24.882 1.00 0.00 H
+ATOM 7969 HB2 LYS B 913 55.016 91.621 24.934 1.00 0.00 H
+ATOM 7970 CG LYS B 913 56.603 90.189 25.087 1.00 45.88 C
+ATOM 7971 HG1 LYS B 913 55.952 89.368 24.787 1.00 0.00 H
+ATOM 7972 HG2 LYS B 913 57.594 90.041 24.659 1.00 0.00 H
+ATOM 7973 CD LYS B 913 56.718 90.192 26.579 1.00 49.80 C
+ATOM 7974 HD1 LYS B 913 57.120 91.149 26.911 1.00 0.00 H
+ATOM 7975 HD2 LYS B 913 55.733 90.040 27.020 1.00 0.00 H
+ATOM 7976 CE LYS B 913 57.642 89.079 27.015 1.00 56.23 C
+ATOM 7977 HE1 LYS B 913 58.617 89.480 27.293 1.00 0.00 H
+ATOM 7978 HE2 LYS B 913 57.766 88.351 26.214 1.00 0.00 H
+ATOM 7979 NZ LYS B 913 56.980 88.448 28.197 1.00 62.71 N
+ATOM 7980 HZ1 LYS B 913 56.861 89.159 28.947 1.00 0.00 H
+ATOM 7981 HZ2 LYS B 913 56.049 88.080 27.916 1.00 0.00 H
+ATOM 7982 HZ3 LYS B 913 57.571 87.667 28.548 1.00 0.00 H
+ATOM 7983 N PRO B 914 54.203 92.659 21.959 1.00 39.95 N
+ATOM 7984 CA PRO B 914 53.709 93.922 21.468 1.00 39.56 C
+ATOM 7985 HA PRO B 914 54.462 94.475 20.907 1.00 0.00 H
+ATOM 7986 C PRO B 914 53.310 94.876 22.588 1.00 40.89 C
+ATOM 7987 O PRO B 914 52.565 94.529 23.466 1.00 41.53 O
+ATOM 7988 CB PRO B 914 52.499 93.505 20.636 1.00 38.02 C
+ATOM 7989 HB1 PRO B 914 51.704 94.247 20.706 1.00 0.00 H
+ATOM 7990 HB2 PRO B 914 52.775 93.368 19.590 1.00 0.00 H
+ATOM 7991 CG PRO B 914 52.087 92.246 21.233 1.00 38.08 C
+ATOM 7992 HG1 PRO B 914 51.412 92.437 22.067 1.00 0.00 H
+ATOM 7993 HG2 PRO B 914 51.578 91.634 20.488 1.00 0.00 H
+ATOM 7994 CD PRO B 914 53.285 91.546 21.715 1.00 38.62 C
+ATOM 7995 HD1 PRO B 914 53.678 90.865 20.960 1.00 0.00 H
+ATOM 7996 HD2 PRO B 914 53.080 90.992 22.631 1.00 0.00 H
+ATOM 7997 N TYR B 915 53.769 96.112 22.500 1.00 43.83 N
+ATOM 7998 H TYR B 915 54.364 96.353 21.682 1.00 0.00 H
+ATOM 7999 CA TYR B 915 53.493 97.163 23.480 1.00 45.01 C
+ATOM 8000 HA TYR B 915 53.970 98.082 23.138 1.00 0.00 H
+ATOM 8001 C TYR B 915 54.013 96.722 24.809 1.00 46.95 C
+ATOM 8002 O TYR B 915 53.344 96.933 25.823 1.00 47.05 O
+ATOM 8003 CB TYR B 915 52.001 97.397 23.631 1.00 44.27 C
+ATOM 8004 HB1 TYR B 915 51.577 96.549 24.169 1.00 0.00 H
+ATOM 8005 HB2 TYR B 915 51.857 98.306 24.216 1.00 0.00 H
+ATOM 8006 CG TYR B 915 51.261 97.549 22.348 1.00 43.81 C
+ATOM 8007 CD1 TYR B 915 51.279 98.772 21.631 1.00 39.48 C
+ATOM 8008 HD1 TYR B 915 51.839 99.619 22.026 1.00 0.00 H
+ATOM 8009 CD2 TYR B 915 50.490 96.474 21.834 1.00 41.43 C
+ATOM 8010 HD2 TYR B 915 50.463 95.528 22.375 1.00 0.00 H
+ATOM 8011 CE1 TYR B 915 50.583 98.906 20.416 1.00 35.52 C
+ATOM 8012 HE1 TYR B 915 50.621 99.837 19.850 1.00 0.00 H
+ATOM 8013 CE2 TYR B 915 49.773 96.605 20.660 1.00 35.53 C
+ATOM 8014 HE2 TYR B 915 49.166 95.776 20.296 1.00 0.00 H
+ATOM 8015 CZ TYR B 915 49.827 97.794 19.944 1.00 37.20 C
+ATOM 8016 OH TYR B 915 49.092 97.867 18.759 1.00 35.23 O
+ATOM 8017 HH TYR B 915 48.133 97.724 18.958 1.00 0.00 H
+ATOM 8018 N ASP B 916 55.151 96.041 24.811 1.00 49.32 N
+ATOM 8019 H ASP B 916 55.629 95.820 23.914 1.00 0.00 H
+ATOM 8020 CA ASP B 916 55.727 95.605 26.072 1.00 52.74 C
+ATOM 8021 HA ASP B 916 55.132 94.750 26.394 1.00 0.00 H
+ATOM 8022 C ASP B 916 55.660 96.698 27.134 1.00 54.68 C
+ATOM 8023 O ASP B 916 55.831 97.894 26.835 1.00 54.95 O
+ATOM 8024 CB ASP B 916 57.178 95.183 25.909 1.00 53.37 C
+ATOM 8025 HB1 ASP B 916 57.287 94.651 24.964 1.00 0.00 H
+ATOM 8026 HB2 ASP B 916 57.806 96.074 25.897 1.00 0.00 H
+ATOM 8027 CG ASP B 916 57.630 94.279 27.037 1.00 55.94 C
+ATOM 8028 OD1 ASP B 916 58.746 93.683 26.977 1.00 56.92 O
+ATOM 8029 OD2 ASP B 916 56.821 94.124 27.976 1.00 58.59 O
+ATOM 8030 N GLY B 917 55.377 96.261 28.366 1.00 56.86 N
+ATOM 8031 H GLY B 917 55.338 95.232 28.513 1.00 0.00 H
+ATOM 8032 CA GLY B 917 55.117 97.121 29.526 1.00 58.07 C
+ATOM 8033 HA1 GLY B 917 54.952 96.464 30.380 1.00 0.00 H
+ATOM 8034 HA2 GLY B 917 56.017 97.713 29.693 1.00 0.00 H
+ATOM 8035 C GLY B 917 53.934 98.103 29.477 1.00 59.24 C
+ATOM 8036 O GLY B 917 53.752 98.867 30.427 1.00 60.01 O
+ATOM 8037 N ILE B 918 53.136 98.147 28.412 1.00 59.00 N
+ATOM 8038 H ILE B 918 53.354 97.577 27.570 1.00 0.00 H
+ATOM 8039 CA ILE B 918 51.943 99.008 28.434 1.00 59.17 C
+ATOM 8040 HA ILE B 918 52.108 99.855 29.100 1.00 0.00 H
+ATOM 8041 C ILE B 918 50.776 98.153 28.924 1.00 60.68 C
+ATOM 8042 O ILE B 918 50.661 96.995 28.534 1.00 61.88 O
+ATOM 8043 CB ILE B 918 51.648 99.600 27.066 1.00 59.23 C
+ATOM 8044 HB ILE B 918 51.449 98.785 26.370 1.00 0.00 H
+ATOM 8045 CG1 ILE B 918 52.873 100.379 26.570 1.00 59.31 C
+ATOM 8046 1HG1 ILE B 918 53.482 100.651 27.432 1.00 0.00 H
+ATOM 8047 2HG1 ILE B 918 53.449 99.732 25.908 1.00 0.00 H
+ATOM 8048 CG2 ILE B 918 50.383 100.462 27.073 1.00 57.83 C
+ATOM 8049 1HG2 ILE B 918 49.531 99.851 27.371 1.00 0.00 H
+ATOM 8050 2HG2 ILE B 918 50.508 101.283 27.779 1.00 0.00 H
+ATOM 8051 3HG2 ILE B 918 50.213 100.863 26.074 1.00 0.00 H
+ATOM 8052 CD1 ILE B 918 52.513 101.656 25.808 1.00 59.73 C
+ATOM 8053 1HD1 ILE B 918 51.912 101.400 24.936 1.00 0.00 H
+ATOM 8054 2HD1 ILE B 918 51.945 102.319 26.460 1.00 0.00 H
+ATOM 8055 3HD1 ILE B 918 53.427 102.156 25.487 1.00 0.00 H
+ATOM 8056 N PRO B 919 49.965 98.659 29.883 1.00 61.27 N
+ATOM 8057 CA PRO B 919 48.783 97.901 30.302 1.00 59.76 C
+ATOM 8058 HA PRO B 919 48.985 96.831 30.343 1.00 0.00 H
+ATOM 8059 C PRO B 919 47.614 98.010 29.334 1.00 58.22 C
+ATOM 8060 O PRO B 919 47.331 99.082 28.742 1.00 57.91 O
+ATOM 8061 CB PRO B 919 48.432 98.534 31.671 1.00 60.38 C
+ATOM 8062 HB1 PRO B 919 47.551 99.170 31.583 1.00 0.00 H
+ATOM 8063 HB2 PRO B 919 48.245 97.758 32.413 1.00 0.00 H
+ATOM 8064 CG PRO B 919 49.682 99.382 32.069 1.00 60.14 C
+ATOM 8065 HG1 PRO B 919 49.409 100.214 32.718 1.00 0.00 H
+ATOM 8066 HG2 PRO B 919 50.438 98.771 32.563 1.00 0.00 H
+ATOM 8067 CD PRO B 919 50.154 99.862 30.732 1.00 61.80 C
+ATOM 8068 HD1 PRO B 919 51.201 100.161 30.766 1.00 0.00 H
+ATOM 8069 HD2 PRO B 919 49.550 100.697 30.376 1.00 0.00 H
+ATOM 8070 N ALA B 920 46.925 96.888 29.206 1.00 56.31 N
+ATOM 8071 H ALA B 920 47.153 96.087 29.829 1.00 0.00 H
+ATOM 8072 CA ALA B 920 45.867 96.733 28.233 1.00 54.92 C
+ATOM 8073 HA ALA B 920 46.351 96.862 27.265 1.00 0.00 H
+ATOM 8074 C ALA B 920 44.772 97.823 28.175 1.00 54.18 C
+ATOM 8075 O ALA B 920 44.114 98.040 27.149 1.00 52.70 O
+ATOM 8076 CB ALA B 920 45.270 95.359 28.398 1.00 55.65 C
+ATOM 8077 HB1 ALA B 920 46.042 94.607 28.235 1.00 0.00 H
+ATOM 8078 HB2 ALA B 920 44.869 95.257 29.406 1.00 0.00 H
+ATOM 8079 HB3 ALA B 920 44.469 95.223 27.672 1.00 0.00 H
+ATOM 8080 N SER B 921 44.584 98.537 29.271 1.00 55.07 N
+ATOM 8081 H SER B 921 45.206 98.385 30.090 1.00 0.00 H
+ATOM 8082 CA SER B 921 43.510 99.546 29.357 1.00 55.73 C
+ATOM 8083 HA SER B 921 42.589 99.119 28.959 1.00 0.00 H
+ATOM 8084 C SER B 921 43.853 100.779 28.546 1.00 56.24 C
+ATOM 8085 O SER B 921 42.975 101.430 27.968 1.00 55.45 O
+ATOM 8086 CB SER B 921 43.346 99.941 30.805 1.00 56.05 C
+ATOM 8087 HB1 SER B 921 42.287 99.975 31.063 1.00 0.00 H
+ATOM 8088 HB2 SER B 921 43.792 100.921 30.975 1.00 0.00 H
+ATOM 8089 OG SER B 921 44.011 98.957 31.605 1.00 58.05 O
+ATOM 8090 HG SER B 921 43.918 99.194 32.562 1.00 0.00 H
+ATOM 8091 N GLU B 922 45.150 101.100 28.494 1.00 57.30 N
+ATOM 8092 H GLU B 922 45.843 100.544 29.035 1.00 0.00 H
+ATOM 8093 CA GLU B 922 45.599 102.231 27.678 1.00 58.20 C
+ATOM 8094 HA GLU B 922 44.914 103.039 27.933 1.00 0.00 H
+ATOM 8095 C GLU B 922 45.484 102.037 26.160 1.00 57.20 C
+ATOM 8096 O GLU B 922 45.310 103.040 25.401 1.00 58.01 O
+ATOM 8097 CB GLU B 922 47.038 102.582 28.014 1.00 59.83 C
+ATOM 8098 HB1 GLU B 922 47.628 101.667 27.973 1.00 0.00 H
+ATOM 8099 HB2 GLU B 922 47.401 103.281 27.260 1.00 0.00 H
+ATOM 8100 CG GLU B 922 47.245 103.227 29.409 1.00 63.47 C
+ATOM 8101 HG1 GLU B 922 47.383 104.303 29.298 1.00 0.00 H
+ATOM 8102 HG2 GLU B 922 46.372 103.036 30.034 1.00 0.00 H
+ATOM 8103 CD GLU B 922 48.478 102.618 30.055 1.00 71.42 C
+ATOM 8104 OE1 GLU B 922 48.346 101.472 30.599 1.00 72.18 O
+ATOM 8105 OE2 GLU B 922 49.589 103.237 29.963 1.00 73.18 O
+ATOM 8106 N ILE B 923 45.562 100.766 25.732 1.00 54.42 N
+ATOM 8107 H ILE B 923 45.534 100.004 26.440 1.00 0.00 H
+ATOM 8108 CA ILE B 923 45.684 100.400 24.326 1.00 52.38 C
+ATOM 8109 HA ILE B 923 46.649 100.742 23.952 1.00 0.00 H
+ATOM 8110 C ILE B 923 44.626 101.126 23.483 1.00 51.59 C
+ATOM 8111 O ILE B 923 44.929 101.731 22.486 1.00 51.55 O
+ATOM 8112 CB ILE B 923 45.706 98.817 24.133 1.00 52.01 C
+ATOM 8113 HB ILE B 923 44.715 98.474 24.430 1.00 0.00 H
+ATOM 8114 CG1 ILE B 923 46.718 98.124 25.047 1.00 49.80 C
+ATOM 8115 1HG1 ILE B 923 46.595 98.542 26.046 1.00 0.00 H
+ATOM 8116 2HG1 ILE B 923 46.469 97.063 25.065 1.00 0.00 H
+ATOM 8117 CG2 ILE B 923 45.913 98.412 22.691 1.00 52.66 C
+ATOM 8118 1HG2 ILE B 923 45.103 98.814 22.082 1.00 0.00 H
+ATOM 8119 2HG2 ILE B 923 46.865 98.807 22.337 1.00 0.00 H
+ATOM 8120 3HG2 ILE B 923 45.920 97.324 22.618 1.00 0.00 H
+ATOM 8121 CD1 ILE B 923 48.150 98.237 24.692 1.00 50.90 C
+ATOM 8122 1HD1 ILE B 923 48.313 97.808 23.703 1.00 0.00 H
+ATOM 8123 2HD1 ILE B 923 48.440 99.288 24.685 1.00 0.00 H
+ATOM 8124 3HD1 ILE B 923 48.749 97.698 25.427 1.00 0.00 H
+ATOM 8125 N SER B 924 43.383 101.096 23.901 1.00 51.98 N
+ATOM 8126 H SER B 924 43.137 100.547 24.749 1.00 0.00 H
+ATOM 8127 CA SER B 924 42.346 101.825 23.188 1.00 52.62 C
+ATOM 8128 HA SER B 924 42.151 101.283 22.263 1.00 0.00 H
+ATOM 8129 C SER B 924 42.791 103.257 22.843 1.00 51.73 C
+ATOM 8130 O SER B 924 42.568 103.740 21.741 1.00 50.41 O
+ATOM 8131 CB SER B 924 41.057 101.907 24.053 1.00 53.37 C
+ATOM 8132 HB1 SER B 924 40.761 100.902 24.355 1.00 0.00 H
+ATOM 8133 HB2 SER B 924 40.257 102.359 23.466 1.00 0.00 H
+ATOM 8134 OG SER B 924 41.301 102.727 25.258 1.00 56.29 O
+ATOM 8135 HG SER B 924 42.025 102.317 25.794 1.00 0.00 H
+ATOM 8136 N SER B 925 43.342 103.978 23.817 1.00 52.33 N
+ATOM 8137 H SER B 925 43.666 103.533 24.699 1.00 0.00 H
+ATOM 8138 CA SER B 925 43.477 105.441 23.599 1.00 53.38 C
+ATOM 8139 HA SER B 925 42.596 105.804 23.069 1.00 0.00 H
+ATOM 8140 C SER B 925 44.691 105.730 22.688 1.00 51.54 C
+ATOM 8141 O SER B 925 44.596 106.502 21.713 1.00 51.06 O
+ATOM 8142 CB SER B 925 43.469 106.237 24.927 1.00 53.54 C
+ATOM 8143 HB1 SER B 925 42.448 106.305 25.303 1.00 0.00 H
+ATOM 8144 HB2 SER B 925 43.857 107.240 24.751 1.00 0.00 H
+ATOM 8145 OG SER B 925 44.292 105.570 25.898 1.00 55.94 O
+ATOM 8146 HG SER B 925 43.938 104.659 26.059 1.00 0.00 H
+ATOM 8147 N ILE B 926 45.773 105.011 22.954 1.00 50.21 N
+ATOM 8148 H ILE B 926 45.801 104.444 23.825 1.00 0.00 H
+ATOM 8149 CA ILE B 926 46.923 104.993 22.062 1.00 49.45 C
+ATOM 8150 HA ILE B 926 47.439 105.950 22.142 1.00 0.00 H
+ATOM 8151 C ILE B 926 46.477 104.790 20.616 1.00 49.77 C
+ATOM 8152 O ILE B 926 46.792 105.597 19.718 1.00 50.00 O
+ATOM 8153 CB ILE B 926 47.840 103.892 22.451 1.00 49.14 C
+ATOM 8154 HB ILE B 926 47.269 103.007 22.732 1.00 0.00 H
+ATOM 8155 CG1 ILE B 926 48.667 104.302 23.674 1.00 45.34 C
+ATOM 8156 1HG1 ILE B 926 49.433 105.005 23.349 1.00 0.00 H
+ATOM 8157 2HG1 ILE B 926 48.004 104.793 24.386 1.00 0.00 H
+ATOM 8158 CG2 ILE B 926 48.709 103.537 21.273 1.00 50.65 C
+ATOM 8159 1HG2 ILE B 926 48.080 103.216 20.443 1.00 0.00 H
+ATOM 8160 2HG2 ILE B 926 49.289 104.410 20.974 1.00 0.00 H
+ATOM 8161 3HG2 ILE B 926 49.385 102.729 21.552 1.00 0.00 H
+ATOM 8162 CD1 ILE B 926 49.353 103.141 24.381 1.00 41.14 C
+ATOM 8163 1HD1 ILE B 926 48.601 102.432 24.726 1.00 0.00 H
+ATOM 8164 2HD1 ILE B 926 50.031 102.644 23.687 1.00 0.00 H
+ATOM 8165 3HD1 ILE B 926 49.916 103.519 25.234 1.00 0.00 H
+ATOM 8166 N LEU B 927 45.684 103.758 20.377 1.00 48.80 N
+ATOM 8167 H LEU B 927 45.350 103.150 21.152 1.00 0.00 H
+ATOM 8168 CA LEU B 927 45.297 103.501 19.017 1.00 49.05 C
+ATOM 8169 HA LEU B 927 46.240 103.449 18.473 1.00 0.00 H
+ATOM 8170 C LEU B 927 44.489 104.585 18.372 1.00 49.57 C
+ATOM 8171 O LEU B 927 44.475 104.728 17.137 1.00 49.97 O
+ATOM 8172 CB LEU B 927 44.526 102.192 18.913 1.00 48.56 C
+ATOM 8173 HB1 LEU B 927 43.654 102.261 19.563 1.00 0.00 H
+ATOM 8174 HB2 LEU B 927 44.199 102.073 17.880 1.00 0.00 H
+ATOM 8175 CG LEU B 927 45.312 100.948 19.306 1.00 47.46 C
+ATOM 8176 HG LEU B 927 45.653 101.037 20.337 1.00 0.00 H
+ATOM 8177 CD1 LEU B 927 44.349 99.713 19.163 1.00 45.56 C
+ATOM 8178 1HD1 LEU B 927 43.491 99.845 19.822 1.00 0.00 H
+ATOM 8179 2HD1 LEU B 927 44.008 99.637 18.130 1.00 0.00 H
+ATOM 8180 3HD1 LEU B 927 44.883 98.804 19.438 1.00 0.00 H
+ATOM 8181 CD2 LEU B 927 46.599 100.781 18.471 1.00 43.06 C
+ATOM 8182 1HD2 LEU B 927 46.338 100.697 17.416 1.00 0.00 H
+ATOM 8183 2HD2 LEU B 927 47.242 101.649 18.619 1.00 0.00 H
+ATOM 8184 3HD2 LEU B 927 47.123 99.880 18.790 1.00 0.00 H
+ATOM 8185 N GLU B 928 43.743 105.332 19.165 1.00 51.27 N
+ATOM 8186 H GLU B 928 43.796 105.249 20.200 1.00 0.00 H
+ATOM 8187 CA GLU B 928 42.834 106.287 18.514 1.00 52.65 C
+ATOM 8188 HA GLU B 928 42.532 105.902 17.540 1.00 0.00 H
+ATOM 8189 C GLU B 928 43.600 107.576 18.395 1.00 52.30 C
+ATOM 8190 O GLU B 928 43.339 108.353 17.459 1.00 52.41 O
+ATOM 8191 CB GLU B 928 41.517 106.483 19.256 1.00 53.98 C
+ATOM 8192 HB1 GLU B 928 41.518 107.478 19.701 1.00 0.00 H
+ATOM 8193 HB2 GLU B 928 40.702 106.410 18.536 1.00 0.00 H
+ATOM 8194 CG GLU B 928 41.273 105.457 20.367 1.00 56.67 C
+ATOM 8195 HG1 GLU B 928 41.269 104.458 19.932 1.00 0.00 H
+ATOM 8196 HG2 GLU B 928 42.077 105.530 21.100 1.00 0.00 H
+ATOM 8197 CD GLU B 928 39.928 105.701 21.073 1.00 62.41 C
+ATOM 8198 OE1 GLU B 928 39.907 105.540 22.340 1.00 64.78 O
+ATOM 8199 OE2 GLU B 928 38.923 106.040 20.355 1.00 59.98 O
+ATOM 8200 N LYS B 929 44.589 107.751 19.302 1.00 51.59 N
+ATOM 8201 H LYS B 929 44.623 107.119 20.127 1.00 0.00 H
+ATOM 8202 CA LYS B 929 45.629 108.805 19.172 1.00 51.37 C
+ATOM 8203 HA LYS B 929 45.117 109.762 19.074 1.00 0.00 H
+ATOM 8204 C LYS B 929 46.468 108.626 17.866 1.00 50.96 C
+ATOM 8205 O LYS B 929 47.194 109.552 17.439 1.00 51.65 O
+ATOM 8206 CB LYS B 929 46.495 108.930 20.448 1.00 51.12 C
+ATOM 8207 HB1 LYS B 929 45.857 109.184 21.295 1.00 0.00 H
+ATOM 8208 HB2 LYS B 929 46.995 107.981 20.640 1.00 0.00 H
+ATOM 8209 N GLY B 930 46.331 107.453 17.224 1.00 49.35 N
+ATOM 8210 H GLY B 930 45.767 106.709 17.683 1.00 0.00 H
+ATOM 8211 CA GLY B 930 46.928 107.156 15.916 1.00 45.97 C
+ATOM 8212 HA1 GLY B 930 46.236 106.530 15.353 1.00 0.00 H
+ATOM 8213 HA2 GLY B 930 47.081 108.095 15.384 1.00 0.00 H
+ATOM 8214 C GLY B 930 48.269 106.430 16.015 1.00 43.80 C
+ATOM 8215 O GLY B 930 48.859 106.150 15.012 1.00 43.79 O
+ATOM 8216 N GLU B 931 48.733 106.123 17.215 1.00 42.00 N
+ATOM 8217 H GLU B 931 48.192 106.425 18.050 1.00 0.00 H
+ATOM 8218 CA GLU B 931 49.971 105.379 17.416 1.00 42.79 C
+ATOM 8219 HA GLU B 931 50.713 105.828 16.756 1.00 0.00 H
+ATOM 8220 C GLU B 931 49.913 103.885 16.992 1.00 42.22 C
+ATOM 8221 O GLU B 931 48.840 103.221 17.101 1.00 43.39 O
+ATOM 8222 CB GLU B 931 50.383 105.498 18.890 1.00 43.00 C
+ATOM 8223 HB1 GLU B 931 50.711 106.523 19.060 1.00 0.00 H
+ATOM 8224 HB2 GLU B 931 49.501 105.295 19.497 1.00 0.00 H
+ATOM 8225 CG GLU B 931 51.541 104.534 19.386 1.00 51.37 C
+ATOM 8226 HG1 GLU B 931 51.161 103.512 19.402 1.00 0.00 H
+ATOM 8227 HG2 GLU B 931 52.373 104.600 18.685 1.00 0.00 H
+ATOM 8228 CD GLU B 931 52.063 104.897 20.820 1.00 58.44 C
+ATOM 8229 OE1 GLU B 931 52.833 104.102 21.474 1.00 59.45 O
+ATOM 8230 OE2 GLU B 931 51.694 106.022 21.276 1.00 62.87 O
+ATOM 8231 N ARG B 932 51.029 103.350 16.486 1.00 39.39 N
+ATOM 8232 H ARG B 932 51.856 103.951 16.298 1.00 0.00 H
+ATOM 8233 CA ARG B 932 51.083 101.918 16.198 1.00 37.46 C
+ATOM 8234 HA ARG B 932 50.281 101.503 16.808 1.00 0.00 H
+ATOM 8235 C ARG B 932 52.349 101.227 16.642 1.00 36.85 C
+ATOM 8236 O ARG B 932 53.236 101.844 17.163 1.00 37.01 O
+ATOM 8237 CB ARG B 932 50.807 101.614 14.743 1.00 35.58 C
+ATOM 8238 HB1 ARG B 932 51.554 102.137 14.146 1.00 0.00 H
+ATOM 8239 HB2 ARG B 932 50.918 100.539 14.601 1.00 0.00 H
+ATOM 8240 CG ARG B 932 49.468 102.002 14.233 1.00 32.91 C
+ATOM 8241 HG1 ARG B 932 49.353 103.079 14.357 1.00 0.00 H
+ATOM 8242 HG2 ARG B 932 49.420 101.753 13.173 1.00 0.00 H
+ATOM 8243 CD ARG B 932 48.292 101.302 14.950 1.00 27.09 C
+ATOM 8244 HD1 ARG B 932 48.175 101.703 15.957 1.00 0.00 H
+ATOM 8245 HD2 ARG B 932 48.473 100.229 15.006 1.00 0.00 H
+ATOM 8246 NE ARG B 932 47.062 101.576 14.140 1.00 28.53 N
+ATOM 8247 HE ARG B 932 46.843 100.970 13.324 1.00 0.00 H
+ATOM 8248 CZ ARG B 932 46.249 102.576 14.445 1.00 29.41 C
+ATOM 8249 NH1 ARG B 932 45.178 102.790 13.732 1.00 25.50 N
+ATOM 8250 1HH1 ARG B 932 44.961 102.175 12.922 1.00 0.00 H
+ATOM 8251 2HH1 ARG B 932 44.541 103.576 13.973 1.00 0.00 H
+ATOM 8252 NH2 ARG B 932 46.538 103.353 15.534 1.00 28.90 N
+ATOM 8253 1HH2 ARG B 932 47.384 103.153 16.106 1.00 0.00 H
+ATOM 8254 2HH2 ARG B 932 45.912 104.143 15.790 1.00 0.00 H
+ATOM 8255 N LEU B 933 52.425 99.916 16.471 1.00 37.29 N
+ATOM 8256 H LEU B 933 51.602 99.379 16.131 1.00 0.00 H
+ATOM 8257 CA LEU B 933 53.681 99.239 16.768 1.00 37.05 C
+ATOM 8258 HA LEU B 933 53.956 99.427 17.806 1.00 0.00 H
+ATOM 8259 C LEU B 933 54.800 99.803 15.831 1.00 36.47 C
+ATOM 8260 O LEU B 933 54.529 100.237 14.681 1.00 33.85 O
+ATOM 8261 CB LEU B 933 53.538 97.737 16.607 1.00 37.86 C
+ATOM 8262 HB1 LEU B 933 53.155 97.542 15.605 1.00 0.00 H
+ATOM 8263 HB2 LEU B 933 54.528 97.293 16.709 1.00 0.00 H
+ATOM 8264 CG LEU B 933 52.605 97.049 17.613 1.00 38.19 C
+ATOM 8265 HG LEU B 933 51.786 97.743 17.800 1.00 0.00 H
+ATOM 8266 CD1 LEU B 933 52.016 95.776 17.058 1.00 34.57 C
+ATOM 8267 1HD1 LEU B 933 51.441 96.004 16.161 1.00 0.00 H
+ATOM 8268 2HD1 LEU B 933 52.820 95.083 16.810 1.00 0.00 H
+ATOM 8269 3HD1 LEU B 933 51.363 95.324 17.804 1.00 0.00 H
+ATOM 8270 CD2 LEU B 933 53.306 96.775 18.928 1.00 39.34 C
+ATOM 8271 1HD2 LEU B 933 54.163 96.125 18.753 1.00 0.00 H
+ATOM 8272 2HD2 LEU B 933 53.645 97.716 19.361 1.00 0.00 H
+ATOM 8273 3HD2 LEU B 933 52.613 96.288 19.613 1.00 0.00 H
+ATOM 8274 N PRO B 934 56.025 99.861 16.354 1.00 35.57 N
+ATOM 8275 CA PRO B 934 57.142 100.448 15.614 1.00 36.07 C
+ATOM 8276 HA PRO B 934 56.830 101.320 15.039 1.00 0.00 H
+ATOM 8277 C PRO B 934 57.748 99.475 14.539 1.00 35.78 C
+ATOM 8278 O PRO B 934 57.617 98.263 14.630 1.00 32.76 O
+ATOM 8279 CB PRO B 934 58.172 100.770 16.713 1.00 35.24 C
+ATOM 8280 HB1 PRO B 934 59.185 100.771 16.310 1.00 0.00 H
+ATOM 8281 HB2 PRO B 934 57.964 101.737 17.172 1.00 0.00 H
+ATOM 8282 CG PRO B 934 57.983 99.624 17.730 1.00 37.61 C
+ATOM 8283 HG1 PRO B 934 58.547 98.740 17.431 1.00 0.00 H
+ATOM 8284 HG2 PRO B 934 58.295 99.932 18.728 1.00 0.00 H
+ATOM 8285 CD PRO B 934 56.425 99.346 17.683 1.00 36.61 C
+ATOM 8286 HD1 PRO B 934 55.909 99.881 18.480 1.00 0.00 H
+ATOM 8287 HD2 PRO B 934 56.216 98.280 17.768 1.00 0.00 H
+ATOM 8288 N GLN B 935 58.380 100.070 13.524 1.00 35.97 N
+ATOM 8289 H GLN B 935 58.455 101.107 13.529 1.00 0.00 H
+ATOM 8290 CA GLN B 935 58.958 99.355 12.432 1.00 36.11 C
+ATOM 8291 HA GLN B 935 58.209 98.716 11.963 1.00 0.00 H
+ATOM 8292 C GLN B 935 60.069 98.444 12.928 1.00 35.77 C
+ATOM 8293 O GLN B 935 61.001 98.909 13.486 1.00 36.70 O
+ATOM 8294 CB GLN B 935 59.446 100.338 11.402 1.00 35.63 C
+ATOM 8295 HB1 GLN B 935 58.631 101.029 11.186 1.00 0.00 H
+ATOM 8296 HB2 GLN B 935 60.282 100.888 11.833 1.00 0.00 H
+ATOM 8297 CG GLN B 935 59.910 99.739 10.088 1.00 37.88 C
+ATOM 8298 HG1 GLN B 935 60.734 99.055 10.288 1.00 0.00 H
+ATOM 8299 HG2 GLN B 935 59.081 99.188 9.644 1.00 0.00 H
+ATOM 8300 CD GLN B 935 60.382 100.794 9.095 1.00 35.07 C
+ATOM 8301 OE1 GLN B 935 60.094 101.957 9.252 1.00 35.85 O
+ATOM 8302 NE2 GLN B 935 61.011 100.364 8.027 1.00 36.47 N
+ATOM 8303 1HE2 GLN B 935 61.280 101.033 7.277 1.00 0.00 H
+ATOM 8304 2HE2 GLN B 935 61.241 99.354 7.930 1.00 0.00 H
+ATOM 8305 N PRO B 936 59.944 97.124 12.736 1.00 35.08 N
+ATOM 8306 CA PRO B 936 61.017 96.245 13.217 1.00 35.72 C
+ATOM 8307 HA PRO B 936 61.245 96.390 14.273 1.00 0.00 H
+ATOM 8308 C PRO B 936 62.334 96.513 12.437 1.00 35.79 C
+ATOM 8309 O PRO B 936 62.252 96.840 11.248 1.00 35.26 O
+ATOM 8310 CB PRO B 936 60.486 94.828 12.883 1.00 34.97 C
+ATOM 8311 HB1 PRO B 936 60.909 94.468 11.945 1.00 0.00 H
+ATOM 8312 HB2 PRO B 936 60.727 94.127 13.682 1.00 0.00 H
+ATOM 8313 CG PRO B 936 59.032 95.005 12.765 1.00 34.04 C
+ATOM 8314 HG1 PRO B 936 58.602 94.224 12.138 1.00 0.00 H
+ATOM 8315 HG2 PRO B 936 58.563 94.979 13.749 1.00 0.00 H
+ATOM 8316 CD PRO B 936 58.843 96.365 12.123 1.00 33.40 C
+ATOM 8317 HD1 PRO B 936 57.873 96.794 12.374 1.00 0.00 H
+ATOM 8318 HD2 PRO B 936 58.947 96.314 11.039 1.00 0.00 H
+ATOM 8319 N PRO B 937 63.510 96.471 13.111 1.00 35.15 N
+ATOM 8320 CA PRO B 937 64.799 96.734 12.408 1.00 35.37 C
+ATOM 8321 HA PRO B 937 64.812 97.782 12.109 1.00 0.00 H
+ATOM 8322 C PRO B 937 65.008 95.987 11.098 1.00 35.16 C
+ATOM 8323 O PRO B 937 65.475 96.587 10.127 1.00 36.06 O
+ATOM 8324 CB PRO B 937 65.900 96.344 13.411 1.00 34.03 C
+ATOM 8325 HB1 PRO B 937 66.435 95.461 13.061 1.00 0.00 H
+ATOM 8326 HB2 PRO B 937 66.604 97.166 13.539 1.00 0.00 H
+ATOM 8327 CG PRO B 937 65.204 96.052 14.701 1.00 35.81 C
+ATOM 8328 HG1 PRO B 937 65.301 94.992 14.938 1.00 0.00 H
+ATOM 8329 HG2 PRO B 937 65.650 96.644 15.500 1.00 0.00 H
+ATOM 8330 CD PRO B 937 63.693 96.421 14.556 1.00 34.68 C
+ATOM 8331 HD1 PRO B 937 63.479 97.387 15.013 1.00 0.00 H
+ATOM 8332 HD2 PRO B 937 63.057 95.659 15.006 1.00 0.00 H
+ATOM 8333 N ILE B 938 64.695 94.697 11.049 1.00 33.42 N
+ATOM 8334 H ILE B 938 64.338 94.201 11.891 1.00 0.00 H
+ATOM 8335 CA ILE B 938 64.865 94.001 9.793 1.00 30.27 C
+ATOM 8336 HA ILE B 938 65.854 94.299 9.444 1.00 0.00 H
+ATOM 8337 C ILE B 938 63.916 94.433 8.661 1.00 30.85 C
+ATOM 8338 O ILE B 938 64.141 94.040 7.510 1.00 31.95 O
+ATOM 8339 CB ILE B 938 64.829 92.490 9.998 1.00 31.72 C
+ATOM 8340 HB ILE B 938 65.096 92.010 9.057 1.00 0.00 H
+ATOM 8341 CG1 ILE B 938 63.391 91.993 10.341 1.00 29.64 C
+ATOM 8342 1HG1 ILE B 938 63.121 92.357 11.332 1.00 0.00 H
+ATOM 8343 2HG1 ILE B 938 62.695 92.396 9.605 1.00 0.00 H
+ATOM 8344 CG2 ILE B 938 65.906 92.040 11.056 1.00 25.87 C
+ATOM 8345 1HG2 ILE B 938 66.898 92.323 10.705 1.00 0.00 H
+ATOM 8346 2HG2 ILE B 938 65.703 92.528 12.009 1.00 0.00 H
+ATOM 8347 3HG2 ILE B 938 65.859 90.958 11.183 1.00 0.00 H
+ATOM 8348 CD1 ILE B 938 63.292 90.514 10.332 1.00 27.35 C
+ATOM 8349 1HD1 ILE B 938 63.553 90.140 9.342 1.00 0.00 H
+ATOM 8350 2HD1 ILE B 938 63.979 90.101 11.071 1.00 0.00 H
+ATOM 8351 3HD1 ILE B 938 62.272 90.218 10.577 1.00 0.00 H
+ATOM 8352 N CYS B 939 62.904 95.261 8.899 1.00 29.24 N
+ATOM 8353 H CYS B 939 62.842 95.779 9.799 1.00 0.00 H
+ATOM 8354 CA CYS B 939 61.886 95.427 7.875 1.00 30.21 C
+ATOM 8355 HA CYS B 939 61.943 94.487 7.326 1.00 0.00 H
+ATOM 8356 C CYS B 939 62.108 96.588 6.965 1.00 30.75 C
+ATOM 8357 O CYS B 939 62.263 97.734 7.407 1.00 30.32 O
+ATOM 8358 CB CYS B 939 60.504 95.701 8.486 1.00 31.29 C
+ATOM 8359 HB1 CYS B 939 59.870 96.133 7.712 1.00 0.00 H
+ATOM 8360 HB2 CYS B 939 60.627 96.419 9.297 1.00 0.00 H
+ATOM 8361 SG CYS B 939 59.702 94.296 9.123 1.00 35.53 S
+ATOM 8362 HG CYS B 939 58.477 94.663 9.642 1.00 0.00 H
+ATOM 8363 N THR B 940 61.969 96.323 5.676 1.00 30.69 N
+ATOM 8364 H THR B 940 61.837 95.347 5.343 1.00 0.00 H
+ATOM 8365 CA THR B 940 62.005 97.410 4.756 1.00 30.26 C
+ATOM 8366 HA THR B 940 62.823 98.096 4.977 1.00 0.00 H
+ATOM 8367 C THR B 940 60.648 98.061 4.862 1.00 30.51 C
+ATOM 8368 O THR B 940 59.684 97.504 5.380 1.00 30.15 O
+ATOM 8369 CB THR B 940 62.193 96.900 3.352 1.00 30.24 C
+ATOM 8370 HB THR B 940 62.028 97.688 2.618 1.00 0.00 H
+ATOM 8371 OG1 THR B 940 61.221 95.850 3.119 1.00 28.03 O
+ATOM 8372 HG1 THR B 940 61.365 95.118 3.770 1.00 0.00 H
+ATOM 8373 CG2 THR B 940 63.678 96.404 3.163 1.00 27.52 C
+ATOM 8374 1HG2 THR B 940 63.882 95.596 3.866 1.00 0.00 H
+ATOM 8375 2HG2 THR B 940 63.812 96.043 2.143 1.00 0.00 H
+ATOM 8376 3HG2 THR B 940 64.363 97.231 3.350 1.00 0.00 H
+ATOM 8377 N ILE B 941 60.568 99.231 4.295 1.00 30.36 N
+ATOM 8378 H ILE B 941 61.387 99.617 3.783 1.00 0.00 H
+ATOM 8379 CA ILE B 941 59.371 99.977 4.375 1.00 29.95 C
+ATOM 8380 HA ILE B 941 59.015 100.085 5.400 1.00 0.00 H
+ATOM 8381 C ILE B 941 58.264 99.218 3.631 1.00 30.31 C
+ATOM 8382 O ILE B 941 57.160 99.206 4.093 1.00 30.86 O
+ATOM 8383 CB ILE B 941 59.636 101.407 3.886 1.00 30.45 C
+ATOM 8384 HB ILE B 941 60.604 101.766 4.234 1.00 0.00 H
+ATOM 8385 CG1 ILE B 941 58.596 102.341 4.505 1.00 29.39 C
+ATOM 8386 1HG1 ILE B 941 57.838 101.738 5.006 1.00 0.00 H
+ATOM 8387 2HG1 ILE B 941 59.091 102.981 5.236 1.00 0.00 H
+ATOM 8388 CG2 ILE B 941 59.797 101.474 2.305 1.00 28.31 C
+ATOM 8389 1HG2 ILE B 941 60.635 100.848 2.000 1.00 0.00 H
+ATOM 8390 2HG2 ILE B 941 58.883 101.115 1.832 1.00 0.00 H
+ATOM 8391 3HG2 ILE B 941 59.983 102.505 2.003 1.00 0.00 H
+ATOM 8392 CD1 ILE B 941 57.968 103.151 3.551 1.00 29.51 C
+ATOM 8393 1HD1 ILE B 941 58.716 103.765 3.049 1.00 0.00 H
+ATOM 8394 2HD1 ILE B 941 57.462 102.522 2.819 1.00 0.00 H
+ATOM 8395 3HD1 ILE B 941 57.240 103.794 4.045 1.00 0.00 H
+ATOM 8396 N ASP B 942 58.559 98.543 2.522 1.00 29.74 N
+ATOM 8397 H ASP B 942 59.502 98.658 2.098 1.00 0.00 H
+ATOM 8398 CA ASP B 942 57.569 97.617 1.861 1.00 30.42 C
+ATOM 8399 HA ASP B 942 56.858 98.296 1.391 1.00 0.00 H
+ATOM 8400 C ASP B 942 56.772 96.700 2.826 1.00 30.44 C
+ATOM 8401 O ASP B 942 55.553 96.600 2.745 1.00 30.83 O
+ATOM 8402 CB ASP B 942 58.257 96.719 0.852 1.00 28.38 C
+ATOM 8403 HB1 ASP B 942 58.923 96.038 1.382 1.00 0.00 H
+ATOM 8404 HB2 ASP B 942 57.501 96.144 0.318 1.00 0.00 H
+ATOM 8405 CG ASP B 942 59.059 97.510 -0.141 1.00 33.91 C
+ATOM 8406 OD1 ASP B 942 60.228 97.966 0.133 1.00 32.36 O
+ATOM 8407 OD2 ASP B 942 58.495 97.733 -1.224 1.00 38.62 O
+ATOM 8408 N VAL B 943 57.478 96.047 3.731 1.00 28.90 N
+ATOM 8409 H VAL B 943 58.495 96.245 3.820 1.00 0.00 H
+ATOM 8410 CA VAL B 943 56.892 95.094 4.575 1.00 28.78 C
+ATOM 8411 HA VAL B 943 56.174 94.493 4.017 1.00 0.00 H
+ATOM 8412 C VAL B 943 56.197 95.806 5.710 1.00 30.45 C
+ATOM 8413 O VAL B 943 55.130 95.388 6.099 1.00 31.31 O
+ATOM 8414 CB VAL B 943 58.005 94.183 5.157 1.00 29.67 C
+ATOM 8415 HB VAL B 943 58.799 94.810 5.562 1.00 0.00 H
+ATOM 8416 CG1 VAL B 943 57.486 93.341 6.300 1.00 26.75 C
+ATOM 8417 1HG1 VAL B 943 57.121 93.993 7.094 1.00 0.00 H
+ATOM 8418 2HG1 VAL B 943 56.672 92.710 5.944 1.00 0.00 H
+ATOM 8419 3HG1 VAL B 943 58.292 92.715 6.684 1.00 0.00 H
+ATOM 8420 CG2 VAL B 943 58.575 93.317 4.050 1.00 26.10 C
+ATOM 8421 1HG2 VAL B 943 57.782 92.700 3.628 1.00 0.00 H
+ATOM 8422 2HG2 VAL B 943 58.995 93.954 3.271 1.00 0.00 H
+ATOM 8423 3HG2 VAL B 943 59.357 92.677 4.458 1.00 0.00 H
+ATOM 8424 N TYR B 944 56.801 96.868 6.276 1.00 31.13 N
+ATOM 8425 H TYR B 944 57.750 97.150 5.957 1.00 0.00 H
+ATOM 8426 CA TYR B 944 56.150 97.615 7.314 1.00 30.80 C
+ATOM 8427 HA TYR B 944 55.933 96.925 8.130 1.00 0.00 H
+ATOM 8428 C TYR B 944 54.839 98.239 6.806 1.00 31.12 C
+ATOM 8429 O TYR B 944 53.855 98.328 7.527 1.00 31.57 O
+ATOM 8430 CB TYR B 944 57.053 98.736 7.793 1.00 30.99 C
+ATOM 8431 HB1 TYR B 944 58.041 98.318 7.989 1.00 0.00 H
+ATOM 8432 HB2 TYR B 944 57.125 99.479 6.999 1.00 0.00 H
+ATOM 8433 CG TYR B 944 56.559 99.454 9.091 1.00 31.38 C
+ATOM 8434 CD1 TYR B 944 56.447 100.838 9.139 1.00 31.28 C
+ATOM 8435 HD1 TYR B 944 56.708 101.432 8.263 1.00 0.00 H
+ATOM 8436 CD2 TYR B 944 56.209 98.730 10.251 1.00 31.93 C
+ATOM 8437 HD2 TYR B 944 56.287 97.643 10.233 1.00 0.00 H
+ATOM 8438 CE1 TYR B 944 56.011 101.463 10.277 1.00 31.53 C
+ATOM 8439 HE1 TYR B 944 55.920 102.549 10.294 1.00 0.00 H
+ATOM 8440 CE2 TYR B 944 55.766 99.352 11.421 1.00 29.03 C
+ATOM 8441 HE2 TYR B 944 55.496 98.779 12.308 1.00 0.00 H
+ATOM 8442 CZ TYR B 944 55.687 100.737 11.396 1.00 33.17 C
+ATOM 8443 OH TYR B 944 55.300 101.431 12.485 1.00 31.75 O
+ATOM 8444 HH TYR B 944 54.386 101.153 12.745 1.00 0.00 H
+ATOM 8445 N MET B 945 54.840 98.713 5.588 1.00 30.82 N
+ATOM 8446 H MET B 945 55.664 98.567 4.970 1.00 0.00 H
+ATOM 8447 CA MET B 945 53.706 99.430 5.112 1.00 33.31 C
+ATOM 8448 HA MET B 945 53.495 100.298 5.736 1.00 0.00 H
+ATOM 8449 C MET B 945 52.519 98.469 5.143 1.00 33.17 C
+ATOM 8450 O MET B 945 51.365 98.843 5.375 1.00 34.22 O
+ATOM 8451 CB MET B 945 53.971 99.954 3.692 1.00 33.68 C
+ATOM 8452 HB1 MET B 945 54.905 100.516 3.715 1.00 0.00 H
+ATOM 8453 HB2 MET B 945 54.084 99.091 3.036 1.00 0.00 H
+ATOM 8454 CG MET B 945 52.913 100.846 3.099 1.00 40.50 C
+ATOM 8455 HG1 MET B 945 51.943 100.357 3.192 1.00 0.00 H
+ATOM 8456 HG2 MET B 945 53.136 101.010 2.045 1.00 0.00 H
+ATOM 8457 SD MET B 945 52.849 102.475 3.959 1.00 53.87 S
+ATOM 8458 CE MET B 945 54.592 102.704 4.032 1.00 43.40 C
+ATOM 8459 HE1 MET B 945 55.041 101.886 4.596 1.00 0.00 H
+ATOM 8460 HE2 MET B 945 54.998 102.716 3.021 1.00 0.00 H
+ATOM 8461 HE3 MET B 945 54.812 103.651 4.525 1.00 0.00 H
+ATOM 8462 N ILE B 946 52.797 97.218 4.889 1.00 32.31 N
+ATOM 8463 H ILE B 946 53.772 96.924 4.676 1.00 0.00 H
+ATOM 8464 CA ILE B 946 51.734 96.260 4.910 1.00 32.23 C
+ATOM 8465 HA ILE B 946 50.931 96.642 4.280 1.00 0.00 H
+ATOM 8466 C ILE B 946 51.187 96.070 6.343 1.00 31.95 C
+ATOM 8467 O ILE B 946 49.967 95.969 6.532 1.00 30.09 O
+ATOM 8468 CB ILE B 946 52.203 94.924 4.354 1.00 32.64 C
+ATOM 8469 HB ILE B 946 53.163 94.683 4.810 1.00 0.00 H
+ATOM 8470 CG1 ILE B 946 52.380 94.987 2.837 1.00 32.44 C
+ATOM 8471 1HG1 ILE B 946 51.415 95.171 2.365 1.00 0.00 H
+ATOM 8472 2HG1 ILE B 946 53.067 95.794 2.583 1.00 0.00 H
+ATOM 8473 CG2 ILE B 946 51.191 93.885 4.668 1.00 32.71 C
+ATOM 8474 1HG2 ILE B 946 51.071 93.811 5.749 1.00 0.00 H
+ATOM 8475 2HG2 ILE B 946 50.239 94.158 4.213 1.00 0.00 H
+ATOM 8476 3HG2 ILE B 946 51.522 92.925 4.272 1.00 0.00 H
+ATOM 8477 CD1 ILE B 946 52.931 93.697 2.354 1.00 36.05 C
+ATOM 8478 1HD1 ILE B 946 53.896 93.515 2.827 1.00 0.00 H
+ATOM 8479 2HD1 ILE B 946 52.243 92.891 2.609 1.00 0.00 H
+ATOM 8480 3HD1 ILE B 946 53.058 93.740 1.272 1.00 0.00 H
+ATOM 8481 N MET B 947 52.065 95.971 7.327 1.00 30.63 N
+ATOM 8482 H MET B 947 53.085 95.938 7.124 1.00 0.00 H
+ATOM 8483 CA MET B 947 51.583 95.909 8.693 1.00 32.85 C
+ATOM 8484 HA MET B 947 51.026 94.977 8.787 1.00 0.00 H
+ATOM 8485 C MET B 947 50.647 97.091 9.021 1.00 33.29 C
+ATOM 8486 O MET B 947 49.594 96.915 9.627 1.00 33.66 O
+ATOM 8487 CB MET B 947 52.745 95.921 9.680 1.00 33.36 C
+ATOM 8488 HB1 MET B 947 53.401 96.758 9.442 1.00 0.00 H
+ATOM 8489 HB2 MET B 947 52.350 96.046 10.688 1.00 0.00 H
+ATOM 8490 CG MET B 947 53.542 94.645 9.623 1.00 35.72 C
+ATOM 8491 HG1 MET B 947 53.865 94.469 8.597 1.00 0.00 H
+ATOM 8492 HG2 MET B 947 52.916 93.816 9.953 1.00 0.00 H
+ATOM 8493 SD MET B 947 55.001 94.755 10.697 1.00 41.93 S
+ATOM 8494 CE MET B 947 56.099 94.118 9.472 1.00 34.73 C
+ATOM 8495 HE1 MET B 947 55.779 93.117 9.184 1.00 0.00 H
+ATOM 8496 HE2 MET B 947 56.085 94.770 8.599 1.00 0.00 H
+ATOM 8497 HE3 MET B 947 57.109 94.075 9.879 1.00 0.00 H
+ATOM 8498 N VAL B 948 51.028 98.293 8.586 1.00 32.11 N
+ATOM 8499 H VAL B 948 51.828 98.366 7.925 1.00 0.00 H
+ATOM 8500 CA VAL B 948 50.367 99.469 9.005 1.00 29.62 C
+ATOM 8501 HA VAL B 948 50.221 99.533 10.083 1.00 0.00 H
+ATOM 8502 C VAL B 948 49.029 99.433 8.273 1.00 29.90 C
+ATOM 8503 O VAL B 948 48.010 99.841 8.829 1.00 29.23 O
+ATOM 8504 CB VAL B 948 51.245 100.739 8.592 1.00 30.04 C
+ATOM 8505 HB VAL B 948 51.718 100.499 7.640 1.00 0.00 H
+ATOM 8506 CG1 VAL B 948 50.404 102.007 8.290 1.00 24.52 C
+ATOM 8507 1HG1 VAL B 948 49.722 101.801 7.465 1.00 0.00 H
+ATOM 8508 2HG1 VAL B 948 49.832 102.282 9.176 1.00 0.00 H
+ATOM 8509 3HG1 VAL B 948 51.069 102.826 8.017 1.00 0.00 H
+ATOM 8510 CG2 VAL B 948 52.312 100.975 9.566 1.00 28.07 C
+ATOM 8511 1HG2 VAL B 948 51.873 101.156 10.547 1.00 0.00 H
+ATOM 8512 2HG2 VAL B 948 52.960 100.100 9.612 1.00 0.00 H
+ATOM 8513 3HG2 VAL B 948 52.894 101.845 9.261 1.00 0.00 H
+ATOM 8514 N LYS B 949 49.002 99.034 7.010 1.00 29.33 N
+ATOM 8515 H LYS B 949 49.874 98.792 6.498 1.00 0.00 H
+ATOM 8516 CA LYS B 949 47.706 98.950 6.375 1.00 29.72 C
+ATOM 8517 HA LYS B 949 47.278 99.951 6.335 1.00 0.00 H
+ATOM 8518 C LYS B 949 46.778 98.026 7.183 1.00 30.46 C
+ATOM 8519 O LYS B 949 45.572 98.285 7.248 1.00 30.57 O
+ATOM 8520 CB LYS B 949 47.843 98.418 5.008 1.00 29.79 C
+ATOM 8521 HB1 LYS B 949 48.502 97.550 5.037 1.00 0.00 H
+ATOM 8522 HB2 LYS B 949 46.859 98.114 4.653 1.00 0.00 H
+ATOM 8523 CG LYS B 949 48.419 99.433 4.032 1.00 35.52 C
+ATOM 8524 HG1 LYS B 949 47.767 100.305 3.980 1.00 0.00 H
+ATOM 8525 HG2 LYS B 949 49.410 99.742 4.364 1.00 0.00 H
+ATOM 8526 CD LYS B 949 48.517 98.781 2.658 1.00 40.46 C
+ATOM 8527 HD1 LYS B 949 48.951 97.787 2.767 1.00 0.00 H
+ATOM 8528 HD2 LYS B 949 47.517 98.695 2.234 1.00 0.00 H
+ATOM 8529 CE LYS B 949 49.377 99.591 1.724 1.00 41.69 C
+ATOM 8530 HE1 LYS B 949 50.137 100.131 2.290 1.00 0.00 H
+ATOM 8531 HE2 LYS B 949 48.762 100.303 1.173 1.00 0.00 H
+ATOM 8532 NZ LYS B 949 50.032 98.629 0.769 1.00 46.38 N
+ATOM 8533 HZ1 LYS B 949 50.612 97.952 1.304 1.00 0.00 H
+ATOM 8534 HZ2 LYS B 949 49.299 98.116 0.238 1.00 0.00 H
+ATOM 8535 HZ3 LYS B 949 50.636 99.157 0.107 1.00 0.00 H
+ATOM 8536 N CYS B 950 47.331 97.019 7.885 1.00 29.56 N
+ATOM 8537 H CYS B 950 48.366 96.925 7.932 1.00 0.00 H
+ATOM 8538 CA CYS B 950 46.477 96.056 8.582 1.00 31.17 C
+ATOM 8539 HA CYS B 950 45.726 95.739 7.858 1.00 0.00 H
+ATOM 8540 C CYS B 950 45.870 96.725 9.794 1.00 32.20 C
+ATOM 8541 O CYS B 950 45.087 96.088 10.496 1.00 33.22 O
+ATOM 8542 CB CYS B 950 47.218 94.781 9.063 1.00 30.58 C
+ATOM 8543 HB1 CYS B 950 46.555 94.233 9.732 1.00 0.00 H
+ATOM 8544 HB2 CYS B 950 48.109 95.090 9.609 1.00 0.00 H
+ATOM 8545 SG CYS B 950 47.722 93.677 7.744 1.00 29.02 S
+ATOM 8546 HG CYS B 950 48.577 94.343 6.890 1.00 0.00 H
+ATOM 8547 N TRP B 951 46.292 97.966 10.082 1.00 31.27 N
+ATOM 8548 H TRP B 951 46.844 98.481 9.367 1.00 0.00 H
+ATOM 8549 CA TRP B 951 46.014 98.620 11.344 1.00 29.33 C
+ATOM 8550 HA TRP B 951 45.376 97.964 11.937 1.00 0.00 H
+ATOM 8551 C TRP B 951 45.309 99.918 11.091 1.00 29.00 C
+ATOM 8552 O TRP B 951 45.339 100.775 11.931 1.00 29.97 O
+ATOM 8553 CB TRP B 951 47.272 98.862 12.123 1.00 28.03 C
+ATOM 8554 HB1 TRP B 951 47.942 99.458 11.504 1.00 0.00 H
+ATOM 8555 HB2 TRP B 951 47.011 99.424 13.020 1.00 0.00 H
+ATOM 8556 CG TRP B 951 48.007 97.629 12.547 1.00 32.34 C
+ATOM 8557 CD1 TRP B 951 47.468 96.376 12.784 1.00 29.93 C
+ATOM 8558 HD1 TRP B 951 46.423 96.098 12.643 1.00 0.00 H
+ATOM 8559 CD2 TRP B 951 49.446 97.504 12.851 1.00 28.94 C
+ATOM 8560 NE1 TRP B 951 48.475 95.531 13.230 1.00 27.45 N
+ATOM 8561 HE1 TRP B 951 48.335 94.542 13.519 1.00 0.00 H
+ATOM 8562 CE2 TRP B 951 49.678 96.183 13.236 1.00 26.49 C
+ATOM 8563 CE3 TRP B 951 50.541 98.373 12.745 1.00 26.89 C
+ATOM 8564 HE3 TRP B 951 50.396 99.396 12.398 1.00 0.00 H
+ATOM 8565 CZ2 TRP B 951 50.959 95.710 13.556 1.00 30.72 C
+ATOM 8566 HZ2 TRP B 951 51.121 94.673 13.849 1.00 0.00 H
+ATOM 8567 CZ3 TRP B 951 51.800 97.930 13.081 1.00 24.40 C
+ATOM 8568 HZ3 TRP B 951 52.644 98.618 13.031 1.00 0.00 H
+ATOM 8569 CH2 TRP B 951 52.010 96.608 13.486 1.00 28.11 C
+ATOM 8570 HH2 TRP B 951 53.015 96.280 13.750 1.00 0.00 H
+ATOM 8571 N MET B 952 44.712 100.059 9.932 1.00 29.79 N
+ATOM 8572 H MET B 952 44.817 99.317 9.211 1.00 0.00 H
+ATOM 8573 CA MET B 952 43.925 101.206 9.642 1.00 33.64 C
+ATOM 8574 HA MET B 952 44.531 102.104 9.764 1.00 0.00 H
+ATOM 8575 C MET B 952 42.709 101.139 10.546 1.00 35.57 C
+ATOM 8576 O MET B 952 42.127 100.075 10.678 1.00 38.00 O
+ATOM 8577 CB MET B 952 43.362 101.100 8.248 1.00 32.81 C
+ATOM 8578 HB1 MET B 952 42.876 100.129 8.150 1.00 0.00 H
+ATOM 8579 HB2 MET B 952 42.622 101.890 8.119 1.00 0.00 H
+ATOM 8580 CG MET B 952 44.349 101.224 7.186 1.00 40.33 C
+ATOM 8581 HG1 MET B 952 43.895 100.959 6.231 1.00 0.00 H
+ATOM 8582 HG2 MET B 952 45.188 100.557 7.386 1.00 0.00 H
+ATOM 8583 SD MET B 952 44.925 102.909 7.127 1.00 46.46 S
+ATOM 8584 CE MET B 952 43.856 103.391 5.734 1.00 47.15 C
+ATOM 8585 HE1 MET B 952 44.089 102.772 4.868 1.00 0.00 H
+ATOM 8586 HE2 MET B 952 42.812 103.249 6.013 1.00 0.00 H
+ATOM 8587 HE3 MET B 952 44.029 104.439 5.491 1.00 0.00 H
+ATOM 8588 N ILE B 953 42.236 102.260 11.060 1.00 36.67 N
+ATOM 8589 H ILE B 953 42.762 103.150 10.944 1.00 0.00 H
+ATOM 8590 CA ILE B 953 40.992 102.246 11.780 1.00 36.85 C
+ATOM 8591 HA ILE B 953 41.054 101.484 12.557 1.00 0.00 H
+ATOM 8592 C ILE B 953 39.834 101.882 10.848 1.00 37.91 C
+ATOM 8593 O ILE B 953 38.934 101.178 11.264 1.00 37.46 O
+ATOM 8594 CB ILE B 953 40.748 103.576 12.451 1.00 37.47 C
+ATOM 8595 HB ILE B 953 41.058 104.389 11.794 1.00 0.00 H
+ATOM 8596 CG1 ILE B 953 41.569 103.629 13.739 1.00 37.30 C
+ATOM 8597 1HG1 ILE B 953 41.088 102.998 14.486 1.00 0.00 H
+ATOM 8598 2HG1 ILE B 953 42.569 103.247 13.532 1.00 0.00 H
+ATOM 8599 CG2 ILE B 953 39.196 103.772 12.748 1.00 40.21 C
+ATOM 8600 1HG2 ILE B 953 38.641 103.740 11.810 1.00 0.00 H
+ATOM 8601 2HG2 ILE B 953 38.849 102.974 13.404 1.00 0.00 H
+ATOM 8602 3HG2 ILE B 953 39.039 104.736 13.232 1.00 0.00 H
+ATOM 8603 CD1 ILE B 953 41.688 104.984 14.277 1.00 36.43 C
+ATOM 8604 1HD1 ILE B 953 42.177 105.624 13.542 1.00 0.00 H
+ATOM 8605 2HD1 ILE B 953 40.695 105.375 14.497 1.00 0.00 H
+ATOM 8606 3HD1 ILE B 953 42.281 104.960 15.191 1.00 0.00 H
+ATOM 8607 N ASP B 954 39.822 102.340 9.601 1.00 37.51 N
+ATOM 8608 H ASP B 954 40.559 102.984 9.249 1.00 0.00 H
+ATOM 8609 CA ASP B 954 38.742 101.903 8.764 1.00 38.54 C
+ATOM 8610 HA ASP B 954 37.830 101.977 9.356 1.00 0.00 H
+ATOM 8611 C ASP B 954 38.923 100.406 8.335 1.00 39.45 C
+ATOM 8612 O ASP B 954 39.751 100.075 7.457 1.00 39.43 O
+ATOM 8613 CB ASP B 954 38.574 102.787 7.562 1.00 37.32 C
+ATOM 8614 HB1 ASP B 954 38.222 103.766 7.886 1.00 0.00 H
+ATOM 8615 HB2 ASP B 954 39.537 102.896 7.062 1.00 0.00 H
+ATOM 8616 CG ASP B 954 37.577 102.200 6.591 1.00 42.39 C
+ATOM 8617 OD1 ASP B 954 37.773 102.183 5.346 1.00 45.39 O
+ATOM 8618 OD2 ASP B 954 36.580 101.654 7.090 1.00 49.44 O
+ATOM 8619 N ALA B 955 38.173 99.508 8.967 1.00 39.78 N
+ATOM 8620 H ALA B 955 37.471 99.842 9.657 1.00 0.00 H
+ATOM 8621 CA ALA B 955 38.297 98.043 8.727 1.00 39.91 C
+ATOM 8622 HA ALA B 955 39.275 97.784 9.132 1.00 0.00 H
+ATOM 8623 C ALA B 955 38.298 97.623 7.247 1.00 39.79 C
+ATOM 8624 O ALA B 955 39.050 96.730 6.832 1.00 38.72 O
+ATOM 8625 CB ALA B 955 37.176 97.293 9.428 1.00 39.84 C
+ATOM 8626 HB1 ALA B 955 37.228 97.483 10.500 1.00 0.00 H
+ATOM 8627 HB2 ALA B 955 36.215 97.636 9.044 1.00 0.00 H
+ATOM 8628 HB3 ALA B 955 37.283 96.224 9.241 1.00 0.00 H
+ATOM 8629 N ASP B 956 37.410 98.212 6.463 1.00 40.12 N
+ATOM 8630 H ASP B 956 36.724 98.881 6.868 1.00 0.00 H
+ATOM 8631 CA ASP B 956 37.388 97.925 5.019 1.00 41.07 C
+ATOM 8632 HA ASP B 956 37.432 96.839 4.942 1.00 0.00 H
+ATOM 8633 C ASP B 956 38.587 98.498 4.258 1.00 39.69 C
+ATOM 8634 O ASP B 956 38.719 98.306 3.075 1.00 40.18 O
+ATOM 8635 CB ASP B 956 36.111 98.472 4.380 1.00 42.08 C
+ATOM 8636 HB1 ASP B 956 36.179 99.559 4.340 1.00 0.00 H
+ATOM 8637 HB2 ASP B 956 36.030 98.076 3.368 1.00 0.00 H
+ATOM 8638 CG ASP B 956 34.850 98.087 5.160 1.00 48.88 C
+ATOM 8639 OD1 ASP B 956 33.901 98.918 5.226 1.00 54.15 O
+ATOM 8640 OD2 ASP B 956 34.794 96.942 5.721 1.00 54.06 O
+ATOM 8641 N SER B 957 39.413 99.260 4.928 1.00 37.84 N
+ATOM 8642 H SER B 957 39.253 99.450 5.938 1.00 0.00 H
+ATOM 8643 CA SER B 957 40.533 99.825 4.258 1.00 37.42 C
+ATOM 8644 HA SER B 957 40.310 99.929 3.196 1.00 0.00 H
+ATOM 8645 C SER B 957 41.708 98.910 4.434 1.00 35.87 C
+ATOM 8646 O SER B 957 42.669 99.061 3.731 1.00 34.84 O
+ATOM 8647 CB SER B 957 40.842 101.234 4.793 1.00 36.45 C
+ATOM 8648 HB1 SER B 957 41.903 101.456 4.682 1.00 0.00 H
+ATOM 8649 HB2 SER B 957 40.565 101.308 5.845 1.00 0.00 H
+ATOM 8650 OG SER B 957 40.081 102.117 4.029 1.00 37.14 O
+ATOM 8651 HG SER B 957 39.121 101.899 4.133 1.00 0.00 H
+ATOM 8652 N ARG B 958 41.620 98.001 5.404 1.00 34.10 N
+ATOM 8653 H ARG B 958 40.766 97.981 5.998 1.00 0.00 H
+ATOM 8654 CA ARG B 958 42.682 97.031 5.662 1.00 33.37 C
+ATOM 8655 HA ARG B 958 43.635 97.557 5.715 1.00 0.00 H
+ATOM 8656 C ARG B 958 42.761 96.025 4.505 1.00 32.58 C
+ATOM 8657 O ARG B 958 41.816 95.838 3.800 1.00 32.97 O
+ATOM 8658 CB ARG B 958 42.499 96.359 6.989 1.00 31.59 C
+ATOM 8659 HB1 ARG B 958 41.776 95.548 6.899 1.00 0.00 H
+ATOM 8660 HB2 ARG B 958 43.451 95.959 7.338 1.00 0.00 H
+ATOM 8661 CG ARG B 958 42.017 97.343 7.907 1.00 33.78 C
+ATOM 8662 HG1 ARG B 958 42.376 98.323 7.592 1.00 0.00 H
+ATOM 8663 HG2 ARG B 958 40.927 97.334 7.891 1.00 0.00 H
+ATOM 8664 CD ARG B 958 42.469 97.093 9.273 1.00 35.10 C
+ATOM 8665 HD1 ARG B 958 42.663 98.039 9.779 1.00 0.00 H
+ATOM 8666 HD2 ARG B 958 43.381 96.497 9.258 1.00 0.00 H
+ATOM 8667 NE ARG B 958 41.444 96.388 9.947 1.00 39.35 N
+ATOM 8668 HE ARG B 958 41.192 95.454 9.564 1.00 0.00 H
+ATOM 8669 CZ ARG B 958 40.769 96.793 11.018 1.00 40.77 C
+ATOM 8670 NH1 ARG B 958 40.989 97.927 11.630 1.00 42.31 N
+ATOM 8671 1HH1 ARG B 958 41.728 98.571 11.282 1.00 0.00 H
+ATOM 8672 2HH1 ARG B 958 40.425 98.186 12.465 1.00 0.00 H
+ATOM 8673 NH2 ARG B 958 39.895 95.959 11.524 1.00 40.77 N
+ATOM 8674 1HH2 ARG B 958 39.754 95.026 11.088 1.00 0.00 H
+ATOM 8675 2HH2 ARG B 958 39.342 96.230 12.362 1.00 0.00 H
+ATOM 8676 N PRO B 959 43.934 95.481 4.236 1.00 31.70 N
+ATOM 8677 CA PRO B 959 43.983 94.540 3.118 1.00 31.79 C
+ATOM 8678 HA PRO B 959 43.608 94.997 2.202 1.00 0.00 H
+ATOM 8679 C PRO B 959 43.127 93.275 3.389 1.00 31.63 C
+ATOM 8680 O PRO B 959 42.885 92.912 4.532 1.00 31.64 O
+ATOM 8681 CB PRO B 959 45.443 94.108 3.076 1.00 31.42 C
+ATOM 8682 HB1 PRO B 959 45.519 93.025 3.173 1.00 0.00 H
+ATOM 8683 HB2 PRO B 959 45.902 94.420 2.138 1.00 0.00 H
+ATOM 8684 CG PRO B 959 46.096 94.758 4.194 1.00 32.18 C
+ATOM 8685 HG1 PRO B 959 46.463 93.991 4.876 1.00 0.00 H
+ATOM 8686 HG2 PRO B 959 46.937 95.338 3.815 1.00 0.00 H
+ATOM 8687 CD PRO B 959 45.202 95.659 4.939 1.00 30.67 C
+ATOM 8688 HD1 PRO B 959 45.544 96.692 4.883 1.00 0.00 H
+ATOM 8689 HD2 PRO B 959 45.121 95.361 5.984 1.00 0.00 H
+ATOM 8690 N LYS B 960 42.721 92.606 2.332 1.00 30.76 N
+ATOM 8691 H LYS B 960 42.783 93.043 1.390 1.00 0.00 H
+ATOM 8692 CA LYS B 960 42.194 91.281 2.465 1.00 31.25 C
+ATOM 8693 HA LYS B 960 41.639 91.262 3.403 1.00 0.00 H
+ATOM 8694 C LYS B 960 43.275 90.212 2.522 1.00 29.83 C
+ATOM 8695 O LYS B 960 44.328 90.334 1.863 1.00 30.34 O
+ATOM 8696 CB LYS B 960 41.315 90.968 1.264 1.00 31.93 C
+ATOM 8697 HB1 LYS B 960 41.964 90.773 0.410 1.00 0.00 H
+ATOM 8698 HB2 LYS B 960 40.737 90.072 1.491 1.00 0.00 H
+ATOM 8699 CG LYS B 960 40.346 92.070 0.878 1.00 33.47 C
+ATOM 8700 HG1 LYS B 960 40.874 93.024 0.889 1.00 0.00 H
+ATOM 8701 HG2 LYS B 960 39.972 91.875 -0.127 1.00 0.00 H
+ATOM 8702 CD LYS B 960 39.187 92.147 1.819 1.00 43.65 C
+ATOM 8703 HD1 LYS B 960 39.457 91.675 2.764 1.00 0.00 H
+ATOM 8704 HD2 LYS B 960 38.934 93.192 1.996 1.00 0.00 H
+ATOM 8705 CE LYS B 960 37.956 91.415 1.210 1.00 52.27 C
+ATOM 8706 HE1 LYS B 960 37.940 91.632 0.142 1.00 0.00 H
+ATOM 8707 HE2 LYS B 960 37.063 91.831 1.677 1.00 0.00 H
+ATOM 8708 NZ LYS B 960 37.895 89.885 1.373 1.00 48.88 N
+ATOM 8709 HZ1 LYS B 960 38.727 89.456 0.919 1.00 0.00 H
+ATOM 8710 HZ2 LYS B 960 37.889 89.645 2.385 1.00 0.00 H
+ATOM 8711 HZ3 LYS B 960 37.029 89.524 0.925 1.00 0.00 H
+ATOM 8712 N PHE B 961 42.972 89.111 3.208 1.00 27.41 N
+ATOM 8713 H PHE B 961 42.061 89.054 3.707 1.00 0.00 H
+ATOM 8714 CA PHE B 961 43.901 87.978 3.271 1.00 25.03 C
+ATOM 8715 HA PHE B 961 44.785 88.314 3.813 1.00 0.00 H
+ATOM 8716 C PHE B 961 44.325 87.559 1.891 1.00 25.07 C
+ATOM 8717 O PHE B 961 45.469 87.218 1.688 1.00 25.23 O
+ATOM 8718 CB PHE B 961 43.328 86.803 4.056 1.00 23.93 C
+ATOM 8719 HB1 PHE B 961 42.304 86.631 3.724 1.00 0.00 H
+ATOM 8720 HB2 PHE B 961 43.930 85.919 3.845 1.00 0.00 H
+ATOM 8721 CG PHE B 961 43.316 87.029 5.538 1.00 22.32 C
+ATOM 8722 CD1 PHE B 961 44.520 87.248 6.239 1.00 19.62 C
+ATOM 8723 HD1 PHE B 961 45.462 87.236 5.690 1.00 0.00 H
+ATOM 8724 CD2 PHE B 961 42.117 87.052 6.242 1.00 18.99 C
+ATOM 8725 HD2 PHE B 961 41.180 86.886 5.711 1.00 0.00 H
+ATOM 8726 CE1 PHE B 961 44.541 87.484 7.639 1.00 20.68 C
+ATOM 8727 HE1 PHE B 961 45.489 87.617 8.160 1.00 0.00 H
+ATOM 8728 CE2 PHE B 961 42.094 87.290 7.649 1.00 18.09 C
+ATOM 8729 HE2 PHE B 961 41.151 87.280 8.195 1.00 0.00 H
+ATOM 8730 CZ PHE B 961 43.337 87.544 8.341 1.00 21.18 C
+ATOM 8731 HZ PHE B 961 43.334 87.781 9.405 1.00 0.00 H
+ATOM 8732 N ARG B 962 43.413 87.567 0.933 1.00 24.06 N
+ATOM 8733 H ARG B 962 42.445 87.906 1.107 1.00 0.00 H
+ATOM 8734 CA ARG B 962 43.815 87.091 -0.348 1.00 25.87 C
+ATOM 8735 HA ARG B 962 44.289 86.117 -0.229 1.00 0.00 H
+ATOM 8736 C ARG B 962 44.867 88.046 -0.983 1.00 25.93 C
+ATOM 8737 O ARG B 962 45.693 87.623 -1.821 1.00 23.97 O
+ATOM 8738 CB ARG B 962 42.602 86.909 -1.250 1.00 26.32 C
+ATOM 8739 HB1 ARG B 962 42.925 86.394 -2.155 1.00 0.00 H
+ATOM 8740 HB2 ARG B 962 41.874 86.292 -0.722 1.00 0.00 H
+ATOM 8741 CG ARG B 962 41.928 88.189 -1.653 1.00 28.24 C
+ATOM 8742 HG1 ARG B 962 41.468 88.640 -0.774 1.00 0.00 H
+ATOM 8743 HG2 ARG B 962 42.675 88.870 -2.060 1.00 0.00 H
+ATOM 8744 CD ARG B 962 40.846 87.944 -2.712 1.00 35.12 C
+ATOM 8745 HD1 ARG B 962 40.321 88.878 -2.910 1.00 0.00 H
+ATOM 8746 HD2 ARG B 962 40.139 87.204 -2.337 1.00 0.00 H
+ATOM 8747 NE ARG B 962 41.453 87.445 -3.978 1.00 42.67 N
+ATOM 8748 HE ARG B 962 41.299 86.440 -4.195 1.00 0.00 H
+ATOM 8749 CZ ARG B 962 42.181 88.145 -4.878 1.00 42.24 C
+ATOM 8750 NH1 ARG B 962 42.458 89.419 -4.704 1.00 41.12 N
+ATOM 8751 1HH1 ARG B 962 42.115 89.915 -3.857 1.00 0.00 H
+ATOM 8752 2HH1 ARG B 962 43.020 89.931 -5.414 1.00 0.00 H
+ATOM 8753 NH2 ARG B 962 42.647 87.546 -5.974 1.00 42.36 N
+ATOM 8754 1HH2 ARG B 962 42.451 86.538 -6.139 1.00 0.00 H
+ATOM 8755 2HH2 ARG B 962 43.206 88.087 -6.664 1.00 0.00 H
+ATOM 8756 N GLU B 963 44.809 89.316 -0.578 1.00 24.89 N
+ATOM 8757 H GLU B 963 44.074 89.613 0.095 1.00 0.00 H
+ATOM 8758 CA GLU B 963 45.743 90.257 -1.062 1.00 25.54 C
+ATOM 8759 HA GLU B 963 45.904 90.061 -2.122 1.00 0.00 H
+ATOM 8760 C GLU B 963 47.057 90.099 -0.290 1.00 25.05 C
+ATOM 8761 O GLU B 963 48.130 90.231 -0.863 1.00 25.37 O
+ATOM 8762 CB GLU B 963 45.230 91.694 -0.953 1.00 26.53 C
+ATOM 8763 HB1 GLU B 963 44.829 91.851 0.048 1.00 0.00 H
+ATOM 8764 HB2 GLU B 963 46.061 92.379 -1.122 1.00 0.00 H
+ATOM 8765 CG GLU B 963 44.163 91.977 -1.948 1.00 27.27 C
+ATOM 8766 HG1 GLU B 963 44.632 92.236 -2.897 1.00 0.00 H
+ATOM 8767 HG2 GLU B 963 43.559 91.079 -2.076 1.00 0.00 H
+ATOM 8768 CD GLU B 963 43.246 93.126 -1.526 1.00 34.91 C
+ATOM 8769 OE1 GLU B 963 43.304 93.618 -0.370 1.00 36.85 O
+ATOM 8770 OE2 GLU B 963 42.443 93.553 -2.381 1.00 42.80 O
+ATOM 8771 N LEU B 964 46.977 89.778 0.984 1.00 23.87 N
+ATOM 8772 H LEU B 964 46.048 89.726 1.450 1.00 0.00 H
+ATOM 8773 CA LEU B 964 48.188 89.496 1.742 1.00 24.13 C
+ATOM 8774 HA LEU B 964 48.815 90.377 1.607 1.00 0.00 H
+ATOM 8775 C LEU B 964 48.984 88.320 1.220 1.00 24.04 C
+ATOM 8776 O LEU B 964 50.205 88.344 1.260 1.00 25.00 O
+ATOM 8777 CB LEU B 964 47.889 89.312 3.236 1.00 23.98 C
+ATOM 8778 HB1 LEU B 964 47.142 88.527 3.356 1.00 0.00 H
+ATOM 8779 HB2 LEU B 964 48.805 89.021 3.750 1.00 0.00 H
+ATOM 8780 CG LEU B 964 47.353 90.620 3.861 1.00 22.71 C
+ATOM 8781 HG LEU B 964 46.699 91.094 3.129 1.00 0.00 H
+ATOM 8782 CD1 LEU B 964 46.636 90.269 5.101 1.00 16.25 C
+ATOM 8783 1HD1 LEU B 964 45.811 89.597 4.864 1.00 0.00 H
+ATOM 8784 2HD1 LEU B 964 47.322 89.775 5.789 1.00 0.00 H
+ATOM 8785 3HD1 LEU B 964 46.247 91.176 5.563 1.00 0.00 H
+ATOM 8786 CD2 LEU B 964 48.453 91.647 4.181 1.00 18.65 C
+ATOM 8787 1HD2 LEU B 964 49.159 91.213 4.889 1.00 0.00 H
+ATOM 8788 2HD2 LEU B 964 48.976 91.915 3.263 1.00 0.00 H
+ATOM 8789 3HD2 LEU B 964 48.001 92.538 4.617 1.00 0.00 H
+ATOM 8790 N ILE B 965 48.318 87.329 0.668 1.00 24.32 N
+ATOM 8791 H ILE B 965 47.278 87.341 0.686 1.00 0.00 H
+ATOM 8792 CA ILE B 965 49.008 86.216 0.032 1.00 23.34 C
+ATOM 8793 HA ILE B 965 49.708 85.766 0.736 1.00 0.00 H
+ATOM 8794 C ILE B 965 49.794 86.709 -1.141 1.00 24.07 C
+ATOM 8795 O ILE B 965 50.964 86.382 -1.300 1.00 23.73 O
+ATOM 8796 CB ILE B 965 47.969 85.109 -0.384 1.00 23.60 C
+ATOM 8797 HB ILE B 965 47.266 85.587 -1.066 1.00 0.00 H
+ATOM 8798 CG1 ILE B 965 47.276 84.582 0.887 1.00 20.87 C
+ATOM 8799 1HG1 ILE B 965 47.995 84.007 1.470 1.00 0.00 H
+ATOM 8800 2HG1 ILE B 965 46.926 85.429 1.477 1.00 0.00 H
+ATOM 8801 CG2 ILE B 965 48.569 83.924 -1.167 1.00 18.52 C
+ATOM 8802 1HG2 ILE B 965 49.024 84.291 -2.087 1.00 0.00 H
+ATOM 8803 2HG2 ILE B 965 49.326 83.433 -0.556 1.00 0.00 H
+ATOM 8804 3HG2 ILE B 965 47.779 83.213 -1.410 1.00 0.00 H
+ATOM 8805 CD1 ILE B 965 46.121 83.715 0.556 1.00 23.22 C
+ATOM 8806 1HD1 ILE B 965 45.394 84.285 -0.023 1.00 0.00 H
+ATOM 8807 2HD1 ILE B 965 46.465 82.862 -0.029 1.00 0.00 H
+ATOM 8808 3HD1 ILE B 965 45.657 83.362 1.477 1.00 0.00 H
+ATOM 8809 N ILE B 966 49.161 87.514 -1.966 1.00 24.15 N
+ATOM 8810 H ILE B 966 48.175 87.783 -1.772 1.00 0.00 H
+ATOM 8811 CA ILE B 966 49.825 88.025 -3.135 1.00 24.66 C
+ATOM 8812 HA ILE B 966 50.201 87.189 -3.724 1.00 0.00 H
+ATOM 8813 C ILE B 966 51.039 88.895 -2.736 1.00 26.28 C
+ATOM 8814 O ILE B 966 52.145 88.683 -3.225 1.00 27.02 O
+ATOM 8815 CB ILE B 966 48.815 88.826 -4.013 1.00 25.86 C
+ATOM 8816 HB ILE B 966 48.319 89.556 -3.373 1.00 0.00 H
+ATOM 8817 CG1 ILE B 966 47.766 87.879 -4.593 1.00 25.04 C
+ATOM 8818 1HG1 ILE B 966 48.207 87.328 -5.424 1.00 0.00 H
+ATOM 8819 2HG1 ILE B 966 47.455 87.178 -3.818 1.00 0.00 H
+ATOM 8820 CG2 ILE B 966 49.529 89.633 -5.141 1.00 20.61 C
+ATOM 8821 1HG2 ILE B 966 50.227 90.341 -4.694 1.00 0.00 H
+ATOM 8822 2HG2 ILE B 966 50.073 88.946 -5.789 1.00 0.00 H
+ATOM 8823 3HG2 ILE B 966 48.785 90.174 -5.726 1.00 0.00 H
+ATOM 8824 CD1 ILE B 966 46.569 88.621 -5.085 1.00 21.41 C
+ATOM 8825 1HD1 ILE B 966 46.118 89.170 -4.258 1.00 0.00 H
+ATOM 8826 2HD1 ILE B 966 46.872 89.320 -5.865 1.00 0.00 H
+ATOM 8827 3HD1 ILE B 966 45.846 87.913 -5.490 1.00 0.00 H
+ATOM 8828 N GLU B 967 50.858 89.850 -1.845 1.00 26.16 N
+ATOM 8829 H GLU B 967 49.926 89.974 -1.401 1.00 0.00 H
+ATOM 8830 CA GLU B 967 51.946 90.722 -1.484 1.00 27.91 C
+ATOM 8831 HA GLU B 967 52.318 91.175 -2.403 1.00 0.00 H
+ATOM 8832 C GLU B 967 53.126 89.954 -0.881 1.00 27.73 C
+ATOM 8833 O GLU B 967 54.285 90.062 -1.345 1.00 28.67 O
+ATOM 8834 CB GLU B 967 51.469 91.868 -0.583 1.00 29.27 C
+ATOM 8835 HB1 GLU B 967 50.969 91.446 0.289 1.00 0.00 H
+ATOM 8836 HB2 GLU B 967 52.335 92.445 -0.259 1.00 0.00 H
+ATOM 8837 CG GLU B 967 50.474 92.823 -1.323 1.00 35.19 C
+ATOM 8838 HG1 GLU B 967 49.563 92.282 -1.579 1.00 0.00 H
+ATOM 8839 HG2 GLU B 967 50.225 93.667 -0.680 1.00 0.00 H
+ATOM 8840 CD GLU B 967 51.166 93.332 -2.618 1.00 49.38 C
+ATOM 8841 OE1 GLU B 967 50.630 93.189 -3.760 1.00 55.08 O
+ATOM 8842 OE2 GLU B 967 52.318 93.844 -2.502 1.00 55.87 O
+ATOM 8843 N PHE B 968 52.867 89.115 0.093 1.00 26.11 N
+ATOM 8844 H PHE B 968 51.897 88.992 0.448 1.00 0.00 H
+ATOM 8845 CA PHE B 968 53.964 88.365 0.661 1.00 24.53 C
+ATOM 8846 HA PHE B 968 54.764 89.083 0.840 1.00 0.00 H
+ATOM 8847 C PHE B 968 54.589 87.349 -0.280 1.00 25.66 C
+ATOM 8848 O PHE B 968 55.788 87.097 -0.184 1.00 25.47 O
+ATOM 8849 CB PHE B 968 53.560 87.758 1.974 1.00 23.50 C
+ATOM 8850 HB1 PHE B 968 52.550 87.360 1.879 1.00 0.00 H
+ATOM 8851 HB2 PHE B 968 54.248 86.946 2.210 1.00 0.00 H
+ATOM 8852 CG PHE B 968 53.583 88.754 3.103 1.00 23.45 C
+ATOM 8853 CD1 PHE B 968 54.779 89.218 3.631 1.00 23.74 C
+ATOM 8854 HD1 PHE B 968 55.719 88.886 3.191 1.00 0.00 H
+ATOM 8855 CD2 PHE B 968 52.431 89.272 3.614 1.00 23.97 C
+ATOM 8856 HD2 PHE B 968 51.476 88.995 3.167 1.00 0.00 H
+ATOM 8857 CE1 PHE B 968 54.806 90.091 4.702 1.00 24.84 C
+ATOM 8858 HE1 PHE B 968 55.764 90.405 5.115 1.00 0.00 H
+ATOM 8859 CE2 PHE B 968 52.450 90.174 4.728 1.00 22.69 C
+ATOM 8860 HE2 PHE B 968 51.512 90.538 5.147 1.00 0.00 H
+ATOM 8861 CZ PHE B 968 53.624 90.575 5.261 1.00 22.00 C
+ATOM 8862 HZ PHE B 968 53.647 91.261 6.108 1.00 0.00 H
+ATOM 8863 N SER B 969 53.839 86.838 -1.246 1.00 25.38 N
+ATOM 8864 H SER B 969 52.826 87.069 -1.301 1.00 0.00 H
+ATOM 8865 CA SER B 969 54.444 85.950 -2.231 1.00 26.44 C
+ATOM 8866 HA SER B 969 54.915 85.178 -1.623 1.00 0.00 H
+ATOM 8867 C SER B 969 55.395 86.659 -3.106 1.00 27.24 C
+ATOM 8868 O SER B 969 56.408 86.035 -3.465 1.00 27.65 O
+ATOM 8869 CB SER B 969 53.422 85.371 -3.220 1.00 25.49 C
+ATOM 8870 HB1 SER B 969 53.917 84.813 -4.015 1.00 0.00 H
+ATOM 8871 HB2 SER B 969 52.809 86.159 -3.658 1.00 0.00 H
+ATOM 8872 OG SER B 969 52.670 84.543 -2.430 1.00 32.39 O
+ATOM 8873 HG SER B 969 52.246 85.072 -1.709 1.00 0.00 H
+ATOM 8874 N LYS B 970 55.002 87.862 -3.575 1.00 25.86 N
+ATOM 8875 H LYS B 970 54.062 88.223 -3.316 1.00 0.00 H
+ATOM 8876 CA LYS B 970 55.855 88.665 -4.431 1.00 26.88 C
+ATOM 8877 HA LYS B 970 55.978 88.147 -5.382 1.00 0.00 H
+ATOM 8878 C LYS B 970 57.199 88.850 -3.733 1.00 27.66 C
+ATOM 8879 O LYS B 970 58.230 88.617 -4.333 1.00 27.73 O
+ATOM 8880 CB LYS B 970 55.245 90.019 -4.734 1.00 26.33 C
+ATOM 8881 HB1 LYS B 970 54.762 90.398 -3.833 1.00 0.00 H
+ATOM 8882 HB2 LYS B 970 56.038 90.704 -5.034 1.00 0.00 H
+ATOM 8883 CG LYS B 970 54.217 89.941 -5.846 1.00 28.38 C
+ATOM 8884 HG1 LYS B 970 54.613 89.334 -6.660 1.00 0.00 H
+ATOM 8885 HG2 LYS B 970 53.306 89.482 -5.462 1.00 0.00 H
+ATOM 8886 CD LYS B 970 53.900 91.311 -6.361 1.00 30.94 C
+ATOM 8887 HD1 LYS B 970 54.651 92.001 -5.976 1.00 0.00 H
+ATOM 8888 HD2 LYS B 970 53.955 91.286 -7.449 1.00 0.00 H
+ATOM 8889 CE LYS B 970 52.584 91.816 -5.984 1.00 35.80 C
+ATOM 8890 HE1 LYS B 970 52.658 92.280 -5.000 1.00 0.00 H
+ATOM 8891 HE2 LYS B 970 51.889 90.977 -5.938 1.00 0.00 H
+ATOM 8892 NZ LYS B 970 52.045 92.835 -6.958 1.00 41.38 N
+ATOM 8893 HZ1 LYS B 970 52.695 93.646 -7.005 1.00 0.00 H
+ATOM 8894 HZ2 LYS B 970 51.961 92.402 -7.900 1.00 0.00 H
+ATOM 8895 HZ3 LYS B 970 51.109 93.157 -6.638 1.00 0.00 H
+ATOM 8896 N MET B 971 57.151 89.109 -2.433 1.00 28.63 N
+ATOM 8897 H MET B 971 56.226 89.097 -1.958 1.00 0.00 H
+ATOM 8898 CA MET B 971 58.322 89.406 -1.649 1.00 29.96 C
+ATOM 8899 HA MET B 971 58.964 90.082 -2.214 1.00 0.00 H
+ATOM 8900 C MET B 971 59.126 88.135 -1.381 1.00 30.78 C
+ATOM 8901 O MET B 971 60.352 88.172 -1.363 1.00 29.61 O
+ATOM 8902 CB MET B 971 57.923 90.132 -0.332 1.00 28.75 C
+ATOM 8903 HB1 MET B 971 57.114 89.571 0.136 1.00 0.00 H
+ATOM 8904 HB2 MET B 971 58.789 90.139 0.330 1.00 0.00 H
+ATOM 8905 CG MET B 971 57.458 91.567 -0.523 1.00 28.81 C
+ATOM 8906 HG1 MET B 971 56.571 91.566 -1.157 1.00 0.00 H
+ATOM 8907 HG2 MET B 971 58.252 92.130 -1.013 1.00 0.00 H
+ATOM 8908 SD MET B 971 57.042 92.400 1.081 1.00 33.00 S
+ATOM 8909 CE MET B 971 55.849 91.300 1.808 1.00 33.43 C
+ATOM 8910 HE1 MET B 971 54.987 91.212 1.146 1.00 0.00 H
+ATOM 8911 HE2 MET B 971 56.301 90.319 1.951 1.00 0.00 H
+ATOM 8912 HE3 MET B 971 55.530 91.698 2.771 1.00 0.00 H
+ATOM 8913 N ALA B 972 58.426 87.020 -1.167 1.00 31.83 N
+ATOM 8914 H ALA B 972 57.388 87.061 -1.211 1.00 0.00 H
+ATOM 8915 CA ALA B 972 59.086 85.712 -0.866 1.00 33.57 C
+ATOM 8916 HA ALA B 972 59.735 85.879 -0.006 1.00 0.00 H
+ATOM 8917 C ALA B 972 59.883 85.252 -2.071 1.00 35.03 C
+ATOM 8918 O ALA B 972 60.734 84.401 -1.974 1.00 34.71 O
+ATOM 8919 CB ALA B 972 58.080 84.608 -0.493 1.00 30.44 C
+ATOM 8920 HB1 ALA B 972 57.521 84.911 0.392 1.00 0.00 H
+ATOM 8921 HB2 ALA B 972 57.391 84.451 -1.323 1.00 0.00 H
+ATOM 8922 HB3 ALA B 972 58.618 83.683 -0.286 1.00 0.00 H
+ATOM 8923 N ARG B 973 59.587 85.832 -3.212 1.00 36.40 N
+ATOM 8924 H ARG B 973 58.881 86.594 -3.259 1.00 0.00 H
+ATOM 8925 CA ARG B 973 60.251 85.392 -4.362 1.00 38.62 C
+ATOM 8926 HA ARG B 973 60.561 84.351 -4.275 1.00 0.00 H
+ATOM 8927 C ARG B 973 61.557 86.160 -4.519 1.00 37.41 C
+ATOM 8928 O ARG B 973 62.383 85.779 -5.351 1.00 39.36 O
+ATOM 8929 CB ARG B 973 59.285 85.353 -5.588 1.00 39.50 C
+ATOM 8930 HB1 ARG B 973 59.309 84.338 -5.983 1.00 0.00 H
+ATOM 8931 HB2 ARG B 973 58.284 85.573 -5.216 1.00 0.00 H
+ATOM 8932 CG ARG B 973 59.545 86.291 -6.750 1.00 47.36 C
+ATOM 8933 HG1 ARG B 973 59.728 87.301 -6.383 1.00 0.00 H
+ATOM 8934 HG2 ARG B 973 60.410 85.951 -7.320 1.00 0.00 H
+ATOM 8935 CD ARG B 973 58.252 86.269 -7.660 1.00 57.42 C
+ATOM 8936 HD1 ARG B 973 58.549 86.285 -8.709 1.00 0.00 H
+ATOM 8937 HD2 ARG B 973 57.643 87.147 -7.442 1.00 0.00 H
+ATOM 8938 NE ARG B 973 57.461 85.046 -7.394 1.00 58.33 N
+ATOM 8939 HE ARG B 973 56.982 84.969 -6.474 1.00 0.00 H
+ATOM 8940 CZ ARG B 973 57.319 84.025 -8.264 1.00 65.54 C
+ATOM 8941 NH1 ARG B 973 57.906 84.103 -9.482 1.00 66.90 N
+ATOM 8942 1HH1 ARG B 973 58.460 84.945 -9.739 1.00 0.00 H
+ATOM 8943 2HH1 ARG B 973 57.803 83.321 -10.160 1.00 0.00 H
+ATOM 8944 NH2 ARG B 973 56.589 82.918 -7.944 1.00 60.23 N
+ATOM 8945 1HH2 ARG B 973 56.129 82.850 -7.014 1.00 0.00 H
+ATOM 8946 2HH2 ARG B 973 56.493 82.142 -8.630 1.00 0.00 H
+ATOM 8947 N ASP B 974 61.775 87.197 -3.708 1.00 35.54 N
+ATOM 8948 H ASP B 974 60.987 87.559 -3.134 1.00 0.00 H
+ATOM 8949 CA ASP B 974 63.102 87.853 -3.595 1.00 33.71 C
+ATOM 8950 HA ASP B 974 63.803 87.054 -3.838 1.00 0.00 H
+ATOM 8951 C ASP B 974 63.392 88.371 -2.183 1.00 31.44 C
+ATOM 8952 O ASP B 974 63.496 89.562 -1.921 1.00 31.39 O
+ATOM 8953 CB ASP B 974 63.316 88.995 -4.588 1.00 33.15 C
+ATOM 8954 HB1 ASP B 974 63.014 88.666 -5.582 1.00 0.00 H
+ATOM 8955 HB2 ASP B 974 62.707 89.848 -4.289 1.00 0.00 H
+ATOM 8956 CG ASP B 974 64.832 89.427 -4.623 1.00 38.54 C
+ATOM 8957 OD1 ASP B 974 65.236 90.416 -5.298 1.00 42.77 O
+ATOM 8958 OD2 ASP B 974 65.662 88.763 -3.934 1.00 43.44 O
+ATOM 8959 N PRO B 975 63.578 87.460 -1.270 1.00 30.01 N
+ATOM 8960 CA PRO B 975 63.480 87.781 0.159 1.00 28.72 C
+ATOM 8961 HA PRO B 975 62.512 88.249 0.336 1.00 0.00 H
+ATOM 8962 C PRO B 975 64.394 88.841 0.710 1.00 28.59 C
+ATOM 8963 O PRO B 975 63.974 89.582 1.601 1.00 29.33 O
+ATOM 8964 CB PRO B 975 63.688 86.439 0.861 1.00 27.66 C
+ATOM 8965 HB1 PRO B 975 64.582 86.471 1.484 1.00 0.00 H
+ATOM 8966 HB2 PRO B 975 62.824 86.196 1.480 1.00 0.00 H
+ATOM 8967 CG PRO B 975 63.850 85.418 -0.242 1.00 29.29 C
+ATOM 8968 HG1 PRO B 975 64.772 84.860 -0.075 1.00 0.00 H
+ATOM 8969 HG2 PRO B 975 63.003 84.733 -0.217 1.00 0.00 H
+ATOM 8970 CD PRO B 975 63.910 86.050 -1.560 1.00 29.06 C
+ATOM 8971 HD1 PRO B 975 63.182 85.608 -2.240 1.00 0.00 H
+ATOM 8972 HD2 PRO B 975 64.907 85.963 -1.991 1.00 0.00 H
+ATOM 8973 N GLN B 976 65.621 88.913 0.222 1.00 29.24 N
+ATOM 8974 H GLN B 976 65.884 88.276 -0.557 1.00 0.00 H
+ATOM 8975 CA GLN B 976 66.624 89.849 0.730 1.00 30.72 C
+ATOM 8976 HA GLN B 976 66.565 89.855 1.818 1.00 0.00 H
+ATOM 8977 C GLN B 976 66.356 91.216 0.212 1.00 30.26 C
+ATOM 8978 O GLN B 976 66.892 92.171 0.724 1.00 31.34 O
+ATOM 8979 CB GLN B 976 68.010 89.419 0.317 1.00 31.41 C
+ATOM 8980 HB1 GLN B 976 68.081 89.395 -0.770 1.00 0.00 H
+ATOM 8981 HB2 GLN B 976 68.747 90.117 0.713 1.00 0.00 H
+ATOM 8982 CG GLN B 976 68.257 88.044 0.875 1.00 39.87 C
+ATOM 8983 HG1 GLN B 976 67.915 88.020 1.910 1.00 0.00 H
+ATOM 8984 HG2 GLN B 976 67.689 87.322 0.289 1.00 0.00 H
+ATOM 8985 CD GLN B 976 69.704 87.659 0.839 1.00 47.53 C
+ATOM 8986 OE1 GLN B 976 70.178 87.014 -0.106 1.00 53.19 O
+ATOM 8987 NE2 GLN B 976 70.430 88.087 1.843 1.00 53.82 N
+ATOM 8988 1HE2 GLN B 976 71.451 87.888 1.869 1.00 0.00 H
+ATOM 8989 2HE2 GLN B 976 69.985 88.625 2.614 1.00 0.00 H
+ATOM 8990 N ARG B 977 65.487 91.340 -0.784 1.00 28.70 N
+ATOM 8991 H ARG B 977 65.133 90.515 -1.309 1.00 0.00 H
+ATOM 8992 CA ARG B 977 65.067 92.659 -1.093 1.00 28.84 C
+ATOM 8993 HA ARG B 977 65.948 93.299 -1.139 1.00 0.00 H
+ATOM 8994 C ARG B 977 64.160 93.219 0.004 1.00 28.10 C
+ATOM 8995 O ARG B 977 64.085 94.415 0.154 1.00 30.45 O
+ATOM 8996 CB ARG B 977 64.388 92.700 -2.466 1.00 29.66 C
+ATOM 8997 HB1 ARG B 977 64.726 91.846 -3.053 1.00 0.00 H
+ATOM 8998 HB2 ARG B 977 63.308 92.640 -2.329 1.00 0.00 H
+ATOM 8999 CG ARG B 977 64.704 93.919 -3.183 1.00 32.86 C
+ATOM 9000 HG1 ARG B 977 65.168 94.613 -2.482 1.00 0.00 H
+ATOM 9001 HG2 ARG B 977 65.414 93.673 -3.972 1.00 0.00 H
+ATOM 9002 CD ARG B 977 63.536 94.603 -3.808 1.00 35.21 C
+ATOM 9003 HD1 ARG B 977 63.749 95.665 -3.933 1.00 0.00 H
+ATOM 9004 HD2 ARG B 977 62.654 94.483 -3.179 1.00 0.00 H
+ATOM 9005 NE ARG B 977 63.316 94.001 -5.071 1.00 40.52 N
+ATOM 9006 HE ARG B 977 63.695 93.044 -5.222 1.00 0.00 H
+ATOM 9007 CZ ARG B 977 62.660 94.570 -6.077 1.00 43.37 C
+ATOM 9008 NH1 ARG B 977 62.139 95.793 -5.986 1.00 39.21 N
+ATOM 9009 1HH1 ARG B 977 62.239 96.337 -5.105 1.00 0.00 H
+ATOM 9010 2HH1 ARG B 977 61.632 96.204 -6.796 1.00 0.00 H
+ATOM 9011 NH2 ARG B 977 62.528 93.868 -7.186 1.00 44.94 N
+ATOM 9012 1HH2 ARG B 977 62.930 92.911 -7.246 1.00 0.00 H
+ATOM 9013 2HH2 ARG B 977 62.022 94.272 -8.000 1.00 0.00 H
+ATOM 9014 N TYR B 978 63.495 92.400 0.821 1.00 25.70 N
+ATOM 9015 H TYR B 978 63.728 91.387 0.862 1.00 0.00 H
+ATOM 9016 CA TYR B 978 62.417 92.965 1.669 1.00 23.54 C
+ATOM 9017 HA TYR B 978 62.381 94.038 1.481 1.00 0.00 H
+ATOM 9018 C TYR B 978 62.676 92.837 3.135 1.00 23.63 C
+ATOM 9019 O TYR B 978 62.087 93.559 3.904 1.00 21.42 O
+ATOM 9020 CB TYR B 978 61.063 92.308 1.274 1.00 22.39 C
+ATOM 9021 HB1 TYR B 978 61.133 91.229 1.409 1.00 0.00 H
+ATOM 9022 HB2 TYR B 978 60.272 92.702 1.912 1.00 0.00 H
+ATOM 9023 CG TYR B 978 60.734 92.615 -0.188 1.00 23.85 C
+ATOM 9024 CD1 TYR B 978 61.039 91.713 -1.220 1.00 24.69 C
+ATOM 9025 HD1 TYR B 978 61.496 90.753 -0.980 1.00 0.00 H
+ATOM 9026 CD2 TYR B 978 60.242 93.864 -0.534 1.00 24.11 C
+ATOM 9027 HD2 TYR B 978 60.037 94.586 0.257 1.00 0.00 H
+ATOM 9028 CE1 TYR B 978 60.769 92.025 -2.521 1.00 24.63 C
+ATOM 9029 HE1 TYR B 978 60.947 91.299 -3.315 1.00 0.00 H
+ATOM 9030 CE2 TYR B 978 60.007 94.219 -1.821 1.00 27.31 C
+ATOM 9031 HE2 TYR B 978 59.628 95.212 -2.063 1.00 0.00 H
+ATOM 9032 CZ TYR B 978 60.257 93.299 -2.818 1.00 30.22 C
+ATOM 9033 OH TYR B 978 59.928 93.710 -4.109 1.00 36.22 O
+ATOM 9034 HH TYR B 978 60.448 94.520 -4.339 1.00 0.00 H
+ATOM 9035 N LEU B 979 63.545 91.891 3.523 1.00 24.44 N
+ATOM 9036 H LEU B 979 63.891 91.195 2.832 1.00 0.00 H
+ATOM 9037 CA LEU B 979 64.007 91.829 4.899 1.00 26.87 C
+ATOM 9038 HA LEU B 979 63.640 92.737 5.378 1.00 0.00 H
+ATOM 9039 C LEU B 979 65.532 91.823 4.984 1.00 28.31 C
+ATOM 9040 O LEU B 979 66.192 91.081 4.268 1.00 29.47 O
+ATOM 9041 CB LEU B 979 63.414 90.629 5.679 1.00 26.57 C
+ATOM 9042 HB1 LEU B 979 63.814 89.719 5.231 1.00 0.00 H
+ATOM 9043 HB2 LEU B 979 63.759 90.708 6.710 1.00 0.00 H
+ATOM 9044 CG LEU B 979 61.898 90.489 5.716 1.00 26.62 C
+ATOM 9045 HG LEU B 979 61.501 90.696 4.722 1.00 0.00 H
+ATOM 9046 CD1 LEU B 979 61.547 89.069 6.096 1.00 25.98 C
+ATOM 9047 1HD1 LEU B 979 61.963 88.383 5.358 1.00 0.00 H
+ATOM 9048 2HD1 LEU B 979 61.963 88.844 7.078 1.00 0.00 H
+ATOM 9049 3HD1 LEU B 979 60.463 88.959 6.125 1.00 0.00 H
+ATOM 9050 CD2 LEU B 979 61.231 91.526 6.625 1.00 24.66 C
+ATOM 9051 1HD2 LEU B 979 61.603 91.408 7.643 1.00 0.00 H
+ATOM 9052 2HD2 LEU B 979 61.466 92.528 6.265 1.00 0.00 H
+ATOM 9053 3HD2 LEU B 979 60.151 91.378 6.612 1.00 0.00 H
+ATOM 9054 N VAL B 980 66.076 92.642 5.856 1.00 29.04 N
+ATOM 9055 H VAL B 980 65.480 93.174 6.522 1.00 0.00 H
+ATOM 9056 CA VAL B 980 67.493 92.793 5.878 1.00 31.65 C
+ATOM 9057 HA VAL B 980 67.929 92.241 5.045 1.00 0.00 H
+ATOM 9058 C VAL B 980 68.001 92.249 7.178 1.00 33.18 C
+ATOM 9059 O VAL B 980 67.853 92.897 8.225 1.00 30.91 O
+ATOM 9060 CB VAL B 980 67.924 94.314 5.689 1.00 33.18 C
+ATOM 9061 HB VAL B 980 67.548 94.889 6.535 1.00 0.00 H
+ATOM 9062 CG1 VAL B 980 69.478 94.441 5.660 1.00 29.05 C
+ATOM 9063 1HG1 VAL B 980 69.889 94.070 6.599 1.00 0.00 H
+ATOM 9064 2HG1 VAL B 980 69.874 93.854 4.831 1.00 0.00 H
+ATOM 9065 3HG1 VAL B 980 69.753 95.488 5.530 1.00 0.00 H
+ATOM 9066 CG2 VAL B 980 67.316 94.882 4.404 1.00 29.75 C
+ATOM 9067 1HG2 VAL B 980 67.668 94.303 3.550 1.00 0.00 H
+ATOM 9068 2HG2 VAL B 980 66.229 94.824 4.461 1.00 0.00 H
+ATOM 9069 3HG2 VAL B 980 67.620 95.922 4.289 1.00 0.00 H
+ATOM 9070 N ILE B 981 68.569 91.040 7.085 1.00 35.84 N
+ATOM 9071 H ILE B 981 68.776 90.661 6.139 1.00 0.00 H
+ATOM 9072 CA ILE B 981 68.910 90.231 8.246 1.00 38.07 C
+ATOM 9073 HA ILE B 981 68.708 90.809 9.148 1.00 0.00 H
+ATOM 9074 C ILE B 981 70.380 89.831 8.091 1.00 42.16 C
+ATOM 9075 O ILE B 981 70.769 89.246 7.051 1.00 41.55 O
+ATOM 9076 CB ILE B 981 68.076 88.909 8.309 1.00 38.39 C
+ATOM 9077 HB ILE B 981 68.167 88.405 7.347 1.00 0.00 H
+ATOM 9078 CG1 ILE B 981 66.549 89.165 8.447 1.00 35.98 C
+ATOM 9079 1HG1 ILE B 981 66.381 89.752 9.350 1.00 0.00 H
+ATOM 9080 2HG1 ILE B 981 66.218 89.734 7.578 1.00 0.00 H
+ATOM 9081 CG2 ILE B 981 68.683 87.906 9.389 1.00 33.84 C
+ATOM 9082 1HG2 ILE B 981 69.710 87.661 9.119 1.00 0.00 H
+ATOM 9083 2HG2 ILE B 981 68.667 88.379 10.371 1.00 0.00 H
+ATOM 9084 3HG2 ILE B 981 68.085 86.995 9.413 1.00 0.00 H
+ATOM 9085 CD1 ILE B 981 65.715 87.909 8.537 1.00 30.25 C
+ATOM 9086 1HD1 ILE B 981 65.859 87.313 7.636 1.00 0.00 H
+ATOM 9087 2HD1 ILE B 981 66.023 87.332 9.409 1.00 0.00 H
+ATOM 9088 3HD1 ILE B 981 64.663 88.179 8.631 1.00 0.00 H
+ATOM 9089 N GLN B 982 71.174 90.124 9.132 1.00 46.01 N
+ATOM 9090 H GLN B 982 70.743 90.538 9.983 1.00 0.00 H
+ATOM 9091 CA GLN B 982 72.624 89.888 9.127 1.00 50.41 C
+ATOM 9092 HA GLN B 982 73.061 90.425 8.285 1.00 0.00 H
+ATOM 9093 C GLN B 982 72.903 88.410 9.030 1.00 50.90 C
+ATOM 9094 O GLN B 982 72.457 87.663 9.876 1.00 51.58 O
+ATOM 9095 CB GLN B 982 73.204 90.347 10.463 1.00 52.25 C
+ATOM 9096 HB1 GLN B 982 73.039 89.555 11.193 1.00 0.00 H
+ATOM 9097 HB2 GLN B 982 74.275 90.500 10.331 1.00 0.00 H
+ATOM 9098 CG GLN B 982 72.612 91.626 11.017 1.00 59.12 C
+ATOM 9099 HG1 GLN B 982 72.025 92.117 10.241 1.00 0.00 H
+ATOM 9100 HG2 GLN B 982 71.967 91.388 11.863 1.00 0.00 H
+ATOM 9101 CD GLN B 982 73.737 92.572 11.482 1.00 69.77 C
+ATOM 9102 OE1 GLN B 982 74.910 92.418 11.052 1.00 70.74 O
+ATOM 9103 NE2 GLN B 982 73.394 93.558 12.357 1.00 71.47 N
+ATOM 9104 1HE2 GLN B 982 74.116 94.224 12.699 1.00 0.00 H
+ATOM 9105 2HE2 GLN B 982 72.410 93.644 12.684 1.00 0.00 H
+ATOM 9106 N GLY B 983 73.609 87.984 8.005 1.00 52.23 N
+ATOM 9107 H GLY B 983 73.919 88.657 7.276 1.00 0.00 H
+ATOM 9108 CA GLY B 983 73.957 86.585 7.886 1.00 55.01 C
+ATOM 9109 HA1 GLY B 983 74.879 86.521 7.309 1.00 0.00 H
+ATOM 9110 HA2 GLY B 983 74.131 86.201 8.891 1.00 0.00 H
+ATOM 9111 C GLY B 983 72.934 85.686 7.220 1.00 57.18 C
+ATOM 9112 O GLY B 983 72.936 84.460 7.407 1.00 57.48 O
+ATOM 9113 N ASP B 984 72.069 86.297 6.425 1.00 59.37 N
+ATOM 9114 H ASP B 984 72.209 87.310 6.236 1.00 0.00 H
+ATOM 9115 CA ASP B 984 70.933 85.632 5.800 1.00 60.74 C
+ATOM 9116 HA ASP B 984 70.358 85.181 6.609 1.00 0.00 H
+ATOM 9117 C ASP B 984 71.299 84.457 4.859 1.00 63.41 C
+ATOM 9118 O ASP B 984 70.850 83.322 5.080 1.00 63.59 O
+ATOM 9119 CB ASP B 984 70.124 86.669 5.035 1.00 59.78 C
+ATOM 9120 HB1 ASP B 984 70.226 87.631 5.536 1.00 0.00 H
+ATOM 9121 HB2 ASP B 984 70.520 86.745 4.022 1.00 0.00 H
+ATOM 9122 CG ASP B 984 68.671 86.319 4.957 1.00 54.69 C
+ATOM 9123 OD1 ASP B 984 68.323 85.160 5.120 1.00 50.29 O
+ATOM 9124 OD2 ASP B 984 67.871 87.210 4.715 1.00 52.04 O
+ATOM 9125 N GLU B 985 72.088 84.707 3.811 1.00 66.51 N
+ATOM 9126 H GLU B 985 72.453 85.668 3.654 1.00 0.00 H
+ATOM 9127 CA GLU B 985 72.448 83.605 2.861 1.00 69.92 C
+ATOM 9128 HA GLU B 985 71.491 83.245 2.483 1.00 0.00 H
+ATOM 9129 C GLU B 985 73.103 82.311 3.517 1.00 72.16 C
+ATOM 9130 O GLU B 985 73.112 81.243 2.868 1.00 72.56 O
+ATOM 9131 CB GLU B 985 73.290 84.141 1.683 1.00 69.40 C
+ATOM 9132 HB1 GLU B 985 72.718 84.895 1.143 1.00 0.00 H
+ATOM 9133 HB2 GLU B 985 74.208 84.585 2.067 1.00 0.00 H
+ATOM 9134 N ARG B 986 73.588 82.424 4.785 1.00 74.34 N
+ATOM 9135 H ARG B 986 73.464 83.346 5.250 1.00 0.00 H
+ATOM 9136 CA ARG B 986 74.287 81.352 5.587 1.00 76.40 C
+ATOM 9137 HA ARG B 986 74.592 80.645 4.816 1.00 0.00 H
+ATOM 9138 C ARG B 986 73.418 80.480 6.569 1.00 77.70 C
+ATOM 9139 O ARG B 986 73.942 79.552 7.191 1.00 78.28 O
+ATOM 9140 CB ARG B 986 75.507 81.944 6.354 1.00 76.03 C
+ATOM 9141 HB1 ARG B 986 76.213 82.367 5.640 1.00 0.00 H
+ATOM 9142 HB2 ARG B 986 75.164 82.725 7.033 1.00 0.00 H
+ATOM 9143 N MET B 987 72.106 80.763 6.676 1.00 79.17 N
+ATOM 9144 H MET B 987 71.709 81.446 5.999 1.00 0.00 H
+ATOM 9145 CA MET B 987 71.169 80.177 7.689 1.00 79.26 C
+ATOM 9146 HA MET B 987 71.793 79.775 8.487 1.00 0.00 H
+ATOM 9147 C MET B 987 70.311 78.990 7.160 1.00 79.88 C
+ATOM 9148 O MET B 987 69.495 79.183 6.245 1.00 80.19 O
+ATOM 9149 CB MET B 987 70.219 81.290 8.191 1.00 78.70 C
+ATOM 9150 HB1 MET B 987 69.878 81.858 7.326 1.00 0.00 H
+ATOM 9151 HB2 MET B 987 69.364 80.813 8.671 1.00 0.00 H
+ATOM 9152 CG MET B 987 70.832 82.263 9.181 1.00 77.87 C
+ATOM 9153 HG1 MET B 987 71.847 82.500 8.862 1.00 0.00 H
+ATOM 9154 HG2 MET B 987 70.861 81.795 10.165 1.00 0.00 H
+ATOM 9155 SD MET B 987 69.879 83.790 9.286 1.00 74.22 S
+ATOM 9156 CE MET B 987 70.826 84.773 10.463 1.00 75.17 C
+ATOM 9157 HE1 MET B 987 70.880 84.245 11.415 1.00 0.00 H
+ATOM 9158 HE2 MET B 987 71.833 84.931 10.076 1.00 0.00 H
+ATOM 9159 HE3 MET B 987 70.336 85.736 10.608 1.00 0.00 H
+ATOM 9160 N HIS B 988 70.481 77.784 7.736 1.00 80.50 N
+ATOM 9161 H HIS B 988 71.275 77.657 8.396 1.00 0.00 H
+ATOM 9162 CA HIS B 988 69.572 76.606 7.468 1.00 80.69 C
+ATOM 9163 HA HIS B 988 68.754 77.039 6.892 1.00 0.00 H
+ATOM 9164 C HIS B 988 68.928 75.981 8.742 1.00 80.82 C
+ATOM 9165 O HIS B 988 69.582 75.835 9.800 1.00 81.10 O
+ATOM 9166 CB HIS B 988 70.245 75.510 6.607 1.00 80.03 C
+ATOM 9167 HB1 HIS B 988 70.535 75.932 5.645 1.00 0.00 H
+ATOM 9168 HB2 HIS B 988 71.130 75.137 7.123 1.00 0.00 H
+ATOM 9169 N LEU B 989 67.644 75.626 8.629 1.00 80.74 N
+ATOM 9170 H LEU B 989 67.155 75.826 7.733 1.00 0.00 H
+ATOM 9171 CA LEU B 989 66.891 74.972 9.698 1.00 79.53 C
+ATOM 9172 HA LEU B 989 67.511 74.861 10.588 1.00 0.00 H
+ATOM 9173 C LEU B 989 66.471 73.566 9.229 1.00 79.44 C
+ATOM 9174 O LEU B 989 66.525 72.593 10.002 1.00 79.21 O
+ATOM 9175 CB LEU B 989 65.686 75.835 10.088 1.00 78.63 C
+ATOM 9176 HB1 LEU B 989 64.999 75.816 9.242 1.00 0.00 H
+ATOM 9177 HB2 LEU B 989 65.218 75.352 10.946 1.00 0.00 H
+ATOM 9178 CG LEU B 989 65.886 77.311 10.464 1.00 77.04 C
+ATOM 9179 HG LEU B 989 66.742 77.665 9.890 1.00 0.00 H
+ATOM 9180 CD1 LEU B 989 64.662 78.138 10.088 1.00 73.28 C
+ATOM 9181 1HD1 LEU B 989 64.495 78.069 9.013 1.00 0.00 H
+ATOM 9182 2HD1 LEU B 989 63.790 77.756 10.618 1.00 0.00 H
+ATOM 9183 3HD1 LEU B 989 64.829 79.179 10.365 1.00 0.00 H
+ATOM 9184 CD2 LEU B 989 66.228 77.502 11.938 1.00 75.67 C
+ATOM 9185 1HD2 LEU B 989 65.418 77.107 12.552 1.00 0.00 H
+ATOM 9186 2HD2 LEU B 989 67.152 76.970 12.167 1.00 0.00 H
+ATOM 9187 3HD2 LEU B 989 66.358 78.564 12.145 1.00 0.00 H
+ATOM 9188 N GLU B1005 61.352 54.404 17.634 1.00 76.69 N
+ATOM 9189 HN1 GLU B1005 61.766 55.040 18.345 1.00 0.00 H
+ATOM 9190 HN2 GLU B1005 61.513 54.793 16.683 1.00 0.00 H
+ATOM 9191 HN3 GLU B1005 60.330 54.312 17.803 1.00 0.00 H
+ATOM 9192 CA GLU B1005 61.992 53.066 17.735 1.00 76.80 C
+ATOM 9193 HA GLU B1005 63.047 53.166 17.479 1.00 0.00 H
+ATOM 9194 C GLU B1005 61.403 52.059 16.680 1.00 75.85 C
+ATOM 9195 O GLU B1005 61.931 51.992 15.543 1.00 75.94 O
+ATOM 9196 CB GLU B1005 61.949 52.541 19.192 1.00 77.14 C
+ATOM 9197 HB1 GLU B1005 61.020 51.988 19.333 1.00 0.00 H
+ATOM 9198 HB2 GLU B1005 62.796 51.871 19.343 1.00 0.00 H
+ATOM 9199 CG GLU B1005 62.017 53.673 20.262 1.00 77.72 C
+ATOM 9200 HG1 GLU B1005 62.373 53.239 21.196 1.00 0.00 H
+ATOM 9201 HG2 GLU B1005 62.727 54.426 19.919 1.00 0.00 H
+ATOM 9202 CD GLU B1005 60.658 54.374 20.537 1.00 77.46 C
+ATOM 9203 OE1 GLU B1005 60.673 55.502 21.093 1.00 75.77 O
+ATOM 9204 OE2 GLU B1005 59.590 53.797 20.209 1.00 76.99 O
+ATOM 9205 N ASP B1006 60.328 51.315 17.029 1.00 74.24 N
+ATOM 9206 H ASP B1006 60.064 51.251 18.033 1.00 0.00 H
+ATOM 9207 CA ASP B1006 59.507 50.581 16.015 1.00 72.16 C
+ATOM 9208 HA ASP B1006 60.125 50.001 15.330 1.00 0.00 H
+ATOM 9209 C ASP B1006 58.727 51.690 15.239 1.00 69.96 C
+ATOM 9210 O ASP B1006 57.822 52.334 15.786 1.00 70.20 O
+ATOM 9211 CB ASP B1006 58.594 49.495 16.660 1.00 71.95 C
+ATOM 9212 HB1 ASP B1006 59.213 48.766 17.183 1.00 0.00 H
+ATOM 9213 HB2 ASP B1006 57.912 49.968 17.366 1.00 0.00 H
+ATOM 9214 N MET B1007 59.123 51.922 13.985 1.00 67.00 N
+ATOM 9215 H MET B1007 59.571 51.151 13.450 1.00 0.00 H
+ATOM 9216 CA MET B1007 58.949 53.224 13.335 1.00 63.98 C
+ATOM 9217 HA MET B1007 58.065 53.677 13.784 1.00 0.00 H
+ATOM 9218 C MET B1007 58.688 53.139 11.838 1.00 60.50 C
+ATOM 9219 O MET B1007 58.469 54.151 11.197 1.00 60.10 O
+ATOM 9220 CB MET B1007 60.215 54.072 13.566 1.00 65.09 C
+ATOM 9221 HB1 MET B1007 60.789 53.596 14.361 1.00 0.00 H
+ATOM 9222 HB2 MET B1007 60.794 54.056 12.643 1.00 0.00 H
+ATOM 9223 CG MET B1007 60.008 55.569 13.966 1.00 68.58 C
+ATOM 9224 HG1 MET B1007 59.744 56.084 13.042 1.00 0.00 H
+ATOM 9225 HG2 MET B1007 60.982 55.917 14.309 1.00 0.00 H
+ATOM 9226 SD MET B1007 58.781 56.173 15.245 1.00 79.01 S
+ATOM 9227 CE MET B1007 58.175 54.788 16.258 1.00 77.87 C
+ATOM 9228 HE1 MET B1007 57.684 54.057 15.615 1.00 0.00 H
+ATOM 9229 HE2 MET B1007 59.015 54.318 16.769 1.00 0.00 H
+ATOM 9230 HE3 MET B1007 57.464 55.162 16.994 1.00 0.00 H
+ATOM 9231 N ASP B1008 58.682 51.934 11.286 1.00 56.66 N
+ATOM 9232 H ASP B1008 58.853 51.101 11.885 1.00 0.00 H
+ATOM 9233 CA ASP B1008 58.440 51.746 9.854 1.00 52.71 C
+ATOM 9234 HA ASP B1008 59.185 52.355 9.342 1.00 0.00 H
+ATOM 9235 C ASP B1008 57.056 52.218 9.396 1.00 49.61 C
+ATOM 9236 O ASP B1008 56.892 52.715 8.274 1.00 48.32 O
+ATOM 9237 CB ASP B1008 58.571 50.264 9.501 1.00 53.07 C
+ATOM 9238 HB1 ASP B1008 58.220 49.675 10.348 1.00 0.00 H
+ATOM 9239 HB2 ASP B1008 57.944 50.059 8.633 1.00 0.00 H
+ATOM 9240 CG ASP B1008 60.020 49.836 9.172 1.00 54.84 C
+ATOM 9241 OD1 ASP B1008 60.151 48.745 8.530 1.00 59.24 O
+ATOM 9242 OD2 ASP B1008 61.005 50.528 9.546 1.00 51.48 O
+ATOM 9243 N ASP B1009 56.069 52.008 10.255 1.00 45.07 N
+ATOM 9244 H ASP B1009 56.296 51.642 11.202 1.00 0.00 H
+ATOM 9245 CA ASP B1009 54.688 52.270 9.921 1.00 42.49 C
+ATOM 9246 HA ASP B1009 54.596 52.183 8.838 1.00 0.00 H
+ATOM 9247 C ASP B1009 54.258 53.691 10.306 1.00 38.87 C
+ATOM 9248 O ASP B1009 53.069 53.974 10.341 1.00 36.53 O
+ATOM 9249 CB ASP B1009 53.760 51.227 10.604 1.00 42.98 C
+ATOM 9250 HB1 ASP B1009 53.898 51.292 11.683 1.00 0.00 H
+ATOM 9251 HB2 ASP B1009 52.726 51.466 10.356 1.00 0.00 H
+ATOM 9252 CG ASP B1009 54.053 49.785 10.156 1.00 47.50 C
+ATOM 9253 OD1 ASP B1009 54.653 49.523 9.062 1.00 47.38 O
+ATOM 9254 OD2 ASP B1009 53.681 48.877 10.935 1.00 54.45 O
+ATOM 9255 N VAL B1010 55.221 54.541 10.645 1.00 34.86 N
+ATOM 9256 H VAL B1010 56.211 54.224 10.675 1.00 0.00 H
+ATOM 9257 CA VAL B1010 54.892 55.883 10.966 1.00 34.46 C
+ATOM 9258 HA VAL B1010 54.040 55.846 11.645 1.00 0.00 H
+ATOM 9259 C VAL B1010 54.420 56.669 9.758 1.00 33.21 C
+ATOM 9260 O VAL B1010 54.992 56.590 8.704 1.00 34.23 O
+ATOM 9261 CB VAL B1010 55.984 56.559 11.704 1.00 35.26 C
+ATOM 9262 HB VAL B1010 56.919 56.424 11.161 1.00 0.00 H
+ATOM 9263 CG1 VAL B1010 55.711 58.048 11.860 1.00 35.22 C
+ATOM 9264 1HG1 VAL B1010 55.624 58.505 10.874 1.00 0.00 H
+ATOM 9265 2HG1 VAL B1010 54.781 58.190 12.411 1.00 0.00 H
+ATOM 9266 3HG1 VAL B1010 56.533 58.511 12.406 1.00 0.00 H
+ATOM 9267 CG2 VAL B1010 56.004 55.974 13.079 1.00 36.52 C
+ATOM 9268 1HG2 VAL B1010 55.043 56.151 13.562 1.00 0.00 H
+ATOM 9269 2HG2 VAL B1010 56.187 54.901 13.014 1.00 0.00 H
+ATOM 9270 3HG2 VAL B1010 56.797 56.444 13.661 1.00 0.00 H
+ATOM 9271 N VAL B1011 53.310 57.362 9.912 1.00 31.70 N
+ATOM 9272 H VAL B1011 52.849 57.375 10.844 1.00 0.00 H
+ATOM 9273 CA VAL B1011 52.712 58.108 8.820 1.00 31.21 C
+ATOM 9274 HA VAL B1011 53.419 58.284 8.009 1.00 0.00 H
+ATOM 9275 C VAL B1011 52.237 59.401 9.435 1.00 29.46 C
+ATOM 9276 O VAL B1011 51.617 59.411 10.509 1.00 28.77 O
+ATOM 9277 CB VAL B1011 51.511 57.309 8.204 1.00 32.18 C
+ATOM 9278 HB VAL B1011 50.831 57.045 9.013 1.00 0.00 H
+ATOM 9279 CG1 VAL B1011 50.672 58.163 7.183 1.00 31.19 C
+ATOM 9280 1HG1 VAL B1011 50.266 59.038 7.691 1.00 0.00 H
+ATOM 9281 2HG1 VAL B1011 51.316 58.483 6.364 1.00 0.00 H
+ATOM 9282 3HG1 VAL B1011 49.855 57.558 6.790 1.00 0.00 H
+ATOM 9283 CG2 VAL B1011 52.029 56.103 7.558 1.00 31.60 C
+ATOM 9284 1HG2 VAL B1011 52.728 56.386 6.771 1.00 0.00 H
+ATOM 9285 2HG2 VAL B1011 52.542 55.488 8.297 1.00 0.00 H
+ATOM 9286 3HG2 VAL B1011 51.202 55.540 7.126 1.00 0.00 H
+ATOM 9287 N ASP B1012 52.519 60.505 8.773 1.00 28.88 N
+ATOM 9288 H ASP B1012 53.049 60.463 7.879 1.00 0.00 H
+ATOM 9289 CA ASP B1012 52.069 61.809 9.322 1.00 28.55 C
+ATOM 9290 HA ASP B1012 52.218 61.879 10.399 1.00 0.00 H
+ATOM 9291 C ASP B1012 50.556 61.935 9.057 1.00 27.11 C
+ATOM 9292 O ASP B1012 50.044 61.388 8.100 1.00 25.11 O
+ATOM 9293 CB ASP B1012 52.919 62.949 8.707 1.00 29.45 C
+ATOM 9294 HB1 ASP B1012 53.968 62.765 8.940 1.00 0.00 H
+ATOM 9295 HB2 ASP B1012 52.782 62.940 7.626 1.00 0.00 H
+ATOM 9296 CG ASP B1012 52.532 64.353 9.243 1.00 34.38 C
+ATOM 9297 OD1 ASP B1012 53.245 64.879 10.165 1.00 38.80 O
+ATOM 9298 OD2 ASP B1012 51.551 64.944 8.711 1.00 33.74 O
+ATOM 9299 N ALA B1013 49.843 62.608 9.950 1.00 27.08 N
+ATOM 9300 H ALA B1013 50.332 63.004 10.778 1.00 0.00 H
+ATOM 9301 CA ALA B1013 48.386 62.822 9.825 1.00 26.57 C
+ATOM 9302 HA ALA B1013 47.892 61.857 9.942 1.00 0.00 H
+ATOM 9303 C ALA B1013 47.996 63.368 8.440 1.00 27.04 C
+ATOM 9304 O ALA B1013 46.910 63.084 7.966 1.00 27.68 O
+ATOM 9305 CB ALA B1013 47.931 63.779 10.903 1.00 25.36 C
+ATOM 9306 HB1 ALA B1013 48.157 63.356 11.882 1.00 0.00 H
+ATOM 9307 HB2 ALA B1013 48.453 64.729 10.787 1.00 0.00 H
+ATOM 9308 HB3 ALA B1013 46.857 63.940 10.814 1.00 0.00 H
+ATOM 9309 N ASP B1014 48.865 64.148 7.809 1.00 26.50 N
+ATOM 9310 H ASP B1014 49.802 64.314 8.230 1.00 0.00 H
+ATOM 9311 CA ASP B1014 48.532 64.772 6.545 1.00 28.99 C
+ATOM 9312 HA ASP B1014 47.571 65.264 6.697 1.00 0.00 H
+ATOM 9313 C ASP B1014 48.416 63.758 5.457 1.00 30.68 C
+ATOM 9314 O ASP B1014 47.828 64.028 4.417 1.00 31.55 O
+ATOM 9315 CB ASP B1014 49.566 65.834 6.123 1.00 27.62 C
+ATOM 9316 HB1 ASP B1014 50.563 65.398 6.193 1.00 0.00 H
+ATOM 9317 HB2 ASP B1014 49.369 66.122 5.090 1.00 0.00 H
+ATOM 9318 CG ASP B1014 49.517 67.085 6.997 1.00 29.28 C
+ATOM 9319 OD1 ASP B1014 48.408 67.520 7.369 1.00 38.61 O
+ATOM 9320 OD2 ASP B1014 50.557 67.650 7.372 1.00 27.74 O
+ATOM 9321 N GLU B1015 49.026 62.599 5.689 1.00 32.35 N
+ATOM 9322 H GLU B1015 49.530 62.469 6.590 1.00 0.00 H
+ATOM 9323 CA GLU B1015 49.014 61.513 4.734 1.00 32.81 C
+ATOM 9324 HA GLU B1015 48.755 61.923 3.758 1.00 0.00 H
+ATOM 9325 C GLU B1015 47.992 60.486 5.162 1.00 33.47 C
+ATOM 9326 O GLU B1015 47.812 59.474 4.468 1.00 34.14 O
+ATOM 9327 CB GLU B1015 50.389 60.849 4.611 1.00 32.12 C
+ATOM 9328 HB1 GLU B1015 50.848 60.852 5.600 1.00 0.00 H
+ATOM 9329 HB2 GLU B1015 50.232 59.820 4.288 1.00 0.00 H
+ATOM 9330 CG GLU B1015 51.385 61.501 3.630 1.00 31.36 C
+ATOM 9331 HG1 GLU B1015 52.229 60.824 3.500 1.00 0.00 H
+ATOM 9332 HG2 GLU B1015 50.881 61.640 2.673 1.00 0.00 H
+ATOM 9333 CD GLU B1015 51.913 62.830 4.080 1.00 36.64 C
+ATOM 9334 OE1 GLU B1015 51.654 63.844 3.361 1.00 39.63 O
+ATOM 9335 OE2 GLU B1015 52.578 62.901 5.154 1.00 37.11 O
+ATOM 9336 N TYR B1016 47.331 60.721 6.287 1.00 33.01 N
+ATOM 9337 H TYR B1016 47.544 61.564 6.857 1.00 0.00 H
+ATOM 9338 CA TYR B1016 46.322 59.801 6.705 1.00 35.02 C
+ATOM 9339 HA TYR B1016 46.417 58.898 6.101 1.00 0.00 H
+ATOM 9340 C TYR B1016 44.903 60.346 6.471 1.00 37.14 C
+ATOM 9341 O TYR B1016 44.358 61.028 7.290 1.00 37.04 O
+ATOM 9342 CB TYR B1016 46.522 59.475 8.143 1.00 34.31 C
+ATOM 9343 HB1 TYR B1016 47.532 59.087 8.278 1.00 0.00 H
+ATOM 9344 HB2 TYR B1016 46.402 60.386 8.730 1.00 0.00 H
+ATOM 9345 CG TYR B1016 45.548 58.459 8.629 1.00 37.20 C
+ATOM 9346 CD1 TYR B1016 44.414 58.844 9.352 1.00 40.30 C
+ATOM 9347 HD1 TYR B1016 44.255 59.898 9.580 1.00 0.00 H
+ATOM 9348 CD2 TYR B1016 45.712 57.123 8.316 1.00 36.96 C
+ATOM 9349 HD2 TYR B1016 46.576 56.812 7.729 1.00 0.00 H
+ATOM 9350 CE1 TYR B1016 43.487 57.904 9.784 1.00 43.65 C
+ATOM 9351 HE1 TYR B1016 42.611 58.205 10.358 1.00 0.00 H
+ATOM 9352 CE2 TYR B1016 44.810 56.188 8.729 1.00 42.12 C
+ATOM 9353 HE2 TYR B1016 44.957 55.137 8.480 1.00 0.00 H
+ATOM 9354 CZ TYR B1016 43.705 56.581 9.467 1.00 45.04 C
+ATOM 9355 OH TYR B1016 42.813 55.624 9.883 1.00 51.37 O
+ATOM 9356 HH TYR B1016 42.435 55.161 9.094 1.00 0.00 H
+ATOM 9357 N LEU B1017 44.312 60.005 5.348 1.00 40.34 N
+ATOM 9358 H LEU B1017 44.782 59.310 4.734 1.00 0.00 H
+ATOM 9359 CA LEU B1017 43.014 60.559 4.913 1.00 44.47 C
+ATOM 9360 HA LEU B1017 42.756 61.439 5.502 1.00 0.00 H
+ATOM 9361 C LEU B1017 41.975 59.492 5.090 1.00 47.25 C
+ATOM 9362 O LEU B1017 42.114 58.413 4.590 1.00 48.68 O
+ATOM 9363 CB LEU B1017 43.099 60.962 3.439 1.00 42.25 C
+ATOM 9364 HB1 LEU B1017 43.664 60.203 2.898 1.00 0.00 H
+ATOM 9365 HB2 LEU B1017 42.090 61.022 3.031 1.00 0.00 H
+ATOM 9366 CG LEU B1017 43.791 62.321 3.256 1.00 45.25 C
+ATOM 9367 HG LEU B1017 43.729 62.842 4.211 1.00 0.00 H
+ATOM 9368 CD1 LEU B1017 45.294 62.255 2.951 1.00 43.56 C
+ATOM 9369 1HD1 LEU B1017 45.808 61.753 3.771 1.00 0.00 H
+ATOM 9370 2HD1 LEU B1017 45.452 61.699 2.027 1.00 0.00 H
+ATOM 9371 3HD1 LEU B1017 45.686 63.266 2.840 1.00 0.00 H
+ATOM 9372 CD2 LEU B1017 43.084 63.039 2.163 1.00 45.50 C
+ATOM 9373 1HD2 LEU B1017 43.145 62.453 1.246 1.00 0.00 H
+ATOM 9374 2HD2 LEU B1017 42.038 63.177 2.438 1.00 0.00 H
+ATOM 9375 3HD2 LEU B1017 43.552 64.011 2.007 1.00 0.00 H
+ATOM 9376 N ILE B1018 40.926 59.736 5.824 1.00 52.24 N
+ATOM 9377 H ILE B1018 40.807 60.638 6.328 1.00 0.00 H
+ATOM 9378 CA ILE B1018 39.922 58.667 5.899 1.00 56.91 C
+ATOM 9379 HA ILE B1018 40.131 57.902 5.151 1.00 0.00 H
+ATOM 9380 C ILE B1018 38.557 59.291 5.572 1.00 58.95 C
+ATOM 9381 O ILE B1018 38.449 60.239 4.737 1.00 59.42 O
+ATOM 9382 CB ILE B1018 39.998 57.764 7.252 1.00 56.15 C
+ATOM 9383 HB ILE B1018 40.992 57.332 7.369 1.00 0.00 H
+ATOM 9384 CG1 ILE B1018 39.059 56.538 7.138 1.00 56.98 C
+ATOM 9385 1HG1 ILE B1018 38.059 56.849 7.441 1.00 0.00 H
+ATOM 9386 2HG1 ILE B1018 39.039 56.224 6.094 1.00 0.00 H
+ATOM 9387 CG2 ILE B1018 39.824 58.657 8.531 1.00 56.23 C
+ATOM 9388 1HG2 ILE B1018 40.618 59.404 8.562 1.00 0.00 H
+ATOM 9389 2HG2 ILE B1018 38.855 59.156 8.495 1.00 0.00 H
+ATOM 9390 3HG2 ILE B1018 39.879 58.030 9.421 1.00 0.00 H
+ATOM 9391 CD1 ILE B1018 39.465 55.307 8.005 1.00 58.21 C
+ATOM 9392 1HD1 ILE B1018 40.457 54.967 7.709 1.00 0.00 H
+ATOM 9393 2HD1 ILE B1018 39.476 55.593 9.057 1.00 0.00 H
+ATOM 9394 3HD1 ILE B1018 38.744 54.504 7.853 1.00 0.00 H
+TER
+HETATM 9395 O HOH 1 5.199 48.994 36.510 1.00 36.98 O
+HETATM 9396 O HOH 2 2.305 53.541 43.688 1.00 50.38 O
+HETATM 9397 O HOH 3 -0.308 63.286 29.075 1.00 25.65 O
+HETATM 9398 O HOH 4 -1.595 64.050 25.679 1.00 26.91 O
+HETATM 9399 O HOH 5 -7.920 58.261 34.288 1.00 33.98 O
+HETATM 9400 O HOH 6 -10.145 43.468 39.083 1.00 31.23 O
+HETATM 9401 O HOH 7 14.023 46.150 16.532 1.00 39.48 O
+HETATM 9402 O HOH 8 16.290 50.503 16.860 1.00 24.93 O
+HETATM 9403 O HOH 9 9.418 53.588 31.747 1.00 30.79 O
+HETATM 9404 O HOH 10 9.006 50.024 30.186 1.00 40.83 O
+HETATM 9405 O HOH 11 15.191 56.333 29.501 1.00 22.65 O
+HETATM 9406 O HOH 12 23.912 53.642 24.858 1.00 36.67 O
+HETATM 9407 O HOH 13 8.201 70.871 28.124 1.00 26.17 O
+HETATM 9408 O HOH 14 13.487 75.155 26.121 1.00 23.55 O
+HETATM 9409 O HOH 15 15.154 70.027 31.377 1.00 28.35 O
+HETATM 9410 O HOH 16 17.744 67.266 31.478 1.00 25.20 O
+HETATM 9411 O HOH 17 13.283 62.263 33.036 1.00 27.00 O
+HETATM 9412 O HOH 18 17.383 57.065 32.828 1.00 33.75 O
+HETATM 9413 O HOH 19 20.114 54.819 31.463 1.00 46.06 O
+HETATM 9414 O HOH 20 21.383 58.123 8.309 1.00 34.59 O
+HETATM 9415 O HOH 21 25.337 71.407 17.429 1.00 33.07 O
+HETATM 9416 O HOH 22 25.000 72.439 9.258 1.00 27.97 O
+HETATM 9417 O HOH 23 22.912 71.606 25.653 1.00 48.81 O
+HETATM 9418 O HOH 24 17.882 67.286 3.482 1.00 27.95 O
+HETATM 9419 O HOH 25 -10.991 65.679 18.305 1.00 33.91 O
+HETATM 9420 O HOH 26 -1.537 58.611 23.946 1.00 30.23 O
+HETATM 9421 O HOH 27 13.469 51.475 20.496 1.00 39.73 O
+HETATM 9422 O HOH 28 26.089 50.553 15.753 1.00 31.59 O
+HETATM 9423 O HOH 29 24.191 52.045 27.108 1.00 34.62 O
+HETATM 9424 O HOH 30 -1.953 55.866 23.983 1.00 41.70 O
+HETATM 9425 O HOH 31 -6.725 59.091 18.690 1.00 40.95 O
+HETATM 9426 O HOH 32 -3.801 62.021 31.847 1.00 37.22 O
+HETATM 9427 O HOH 33 -1.826 68.168 27.745 1.00 35.91 O
+HETATM 9428 O HOH 34 7.795 49.032 24.689 1.00 54.70 O
+HETATM 9429 O HOH 35 -0.855 53.392 24.479 1.00 36.37 O
+HETATM 9430 O HOH 36 4.108 52.395 13.456 1.00 38.24 O
+HETATM 9431 O HOH 37 6.469 71.156 47.028 1.00 45.86 O
+HETATM 9432 O HOH 38 -6.287 64.574 37.022 1.00 30.90 O
+HETATM 9433 O HOH 39 -16.742 53.577 38.327 1.00 45.47 O
+HETATM 9434 O HOH 40 -20.720 50.836 23.933 1.00 46.26 O
+HETATM 9435 O HOH 41 -20.544 59.102 15.712 1.00 53.39 O
+HETATM 9436 O HOH 42 1.610 70.097 30.235 1.00 31.17 O
+HETATM 9437 O HOH 43 -8.346 41.355 39.239 1.00 44.86 O
+HETATM 9438 O HOH 44 -7.050 65.654 17.881 1.00 40.90 O
+HETATM 9439 O HOH 45 27.127 61.942 7.979 1.00 57.25 O
+HETATM 9440 O HOH 46 24.635 76.355 12.845 1.00 35.54 O
+HETATM 9441 O HOH 47 1.599 67.161 42.155 1.00 37.95 O
+HETATM 9442 O HOH 48 -0.372 64.977 39.382 1.00 39.37 O
+HETATM 9443 O HOH 49 -19.196 46.288 25.015 1.00 55.18 O
+HETATM 9444 O HOH 50 -2.429 37.641 35.180 1.00 55.03 O
+HETATM 9445 O HOH 51 -22.282 59.295 11.747 1.00 47.71 O
+HETATM 9446 O HOH 52 6.720 72.139 26.265 1.00 35.15 O
+HETATM 9447 O HOH 53 3.150 71.740 24.949 1.00 31.82 O
+HETATM 9448 O HOH 54 4.863 70.246 25.601 1.00 30.38 O
+HETATM 9449 O HOH 55 -8.418 59.313 20.876 1.00 21.02 O
+HETATM 9450 O HOH 56 35.328 77.037 22.843 1.00 36.98 O
+HETATM 9451 O HOH 57 28.149 74.142 18.297 1.00 50.38 O
+HETATM 9452 O HOH 58 42.763 71.529 8.552 1.00 25.65 O
+HETATM 9453 O HOH 59 46.158 70.243 7.787 1.00 26.91 O
+HETATM 9454 O HOH 60 37.550 63.917 13.576 1.00 33.98 O
+HETATM 9455 O HOH 61 32.755 61.693 28.369 1.00 31.23 O
+HETATM 9456 O HOH 62 55.306 85.861 25.688 1.00 39.48 O
+HETATM 9457 O HOH 63 54.977 88.127 21.334 1.00 24.93 O
+HETATM 9458 O HOH 64 40.090 81.255 18.250 1.00 30.79 O
+HETATM 9459 O HOH 65 41.651 80.844 21.814 1.00 40.83 O
+HETATM 9460 O HOH 66 42.337 87.028 15.505 1.00 22.65 O
+HETATM 9461 O HOH 67 46.980 95.749 18.195 1.00 36.67 O
+HETATM 9462 O HOH 68 43.714 80.038 0.967 1.00 26.17 O
+HETATM 9463 O HOH 69 45.717 85.325 -3.317 1.00 23.55 O
+HETATM 9464 O HOH 70 40.461 86.992 1.810 1.00 28.35 O
+HETATM 9465 O HOH 71 40.359 89.582 4.572 1.00 25.20 O
+HETATM 9466 O HOH 72 38.801 85.121 9.575 1.00 27.00 O
+HETATM 9467 O HOH 73 39.010 89.221 14.773 1.00 33.75 O
+HETATM 9468 O HOH 74 40.374 91.951 17.018 1.00 46.06 O
+HETATM 9469 O HOH 75 63.529 93.221 13.714 1.00 34.59 O
+HETATM 9470 O HOH 76 54.408 97.174 0.430 1.00 33.07 O
+HETATM 9471 O HOH 77 62.580 96.838 -0.602 1.00 27.97 O
+HETATM 9472 O HOH 78 46.184 94.749 0.232 1.00 48.81 O
+HETATM 9473 O HOH 79 68.356 89.719 4.551 1.00 27.95 O
+HETATM 9474 O HOH 80 53.532 60.846 6.159 1.00 33.91 O
+HETATM 9475 O HOH 81 47.892 70.300 13.226 1.00 30.23 O
+HETATM 9476 O HOH 82 51.342 85.306 20.363 1.00 39.73 O
+HETATM 9477 O HOH 83 56.084 97.927 21.285 1.00 31.59 O
+HETATM 9478 O HOH 84 44.730 96.028 19.793 1.00 34.62 O
+HETATM 9479 O HOH 85 47.855 69.885 15.972 1.00 41.70 O
+HETATM 9480 O HOH 86 53.148 65.112 12.746 1.00 40.95 O
+HETATM 9481 O HOH 87 39.990 68.037 9.816 1.00 37.22 O
+HETATM 9482 O HOH 88 44.093 70.011 3.670 1.00 35.91 O
+HETATM 9483 O HOH 89 47.148 79.632 22.805 1.00 54.70 O
+HETATM 9484 O HOH 90 47.358 70.983 18.445 1.00 36.37 O
+HETATM 9485 O HOH 91 58.382 75.945 19.442 1.00 38.24 O
+HETATM 9486 O HOH 92 24.809 78.306 0.681 1.00 45.86 O
+HETATM 9487 O HOH 93 34.816 65.550 7.263 1.00 30.90 O
+HETATM 9488 O HOH 94 33.511 55.096 18.261 1.00 45.47 O
+HETATM 9489 O HOH 95 47.904 51.117 21.002 1.00 46.26 O
+HETATM 9490 O HOH 96 56.126 51.294 12.736 1.00 53.39 O
+HETATM 9491 O HOH 97 41.602 73.448 1.740 1.00 31.17 O
+HETATM 9492 O HOH 98 32.599 63.492 30.483 1.00 44.86 O
+HETATM 9493 O HOH 99 53.956 64.787 6.184 1.00 40.90 O
+HETATM 9494 O HOH 100 63.858 98.965 9.896 1.00 57.25 O
+HETATM 9495 O HOH 101 58.992 96.472 -4.518 1.00 35.54 O
+HETATM 9496 O HOH 102 29.683 73.436 4.676 1.00 37.95 O
+HETATM 9497 O HOH 103 32.456 71.466 6.861 1.00 39.37 O
+HETATM 9498 O HOH 104 46.822 52.642 25.549 1.00 55.18 O
+HETATM 9499 O HOH 105 36.657 69.409 34.197 1.00 55.03 O
+HETATM 9500 O HOH 106 60.090 49.556 12.543 1.00 47.71 O
+HETATM 9501 O HOH 107 45.572 78.558 -0.301 1.00 35.15 O
+HETATM 9502 O HOH 108 46.889 74.987 0.098 1.00 31.82 O
+HETATM 9503 O HOH 109 46.236 76.701 1.591 1.00 30.38 O
+HETATM 9504 O HOH 110 50.962 63.419 12.524 1.00 21.02 O
+END
diff --git a/models/__init__.py b/models/__init__.py
new file mode 100644
index 0000000000000000000000000000000000000000..172200f04b3559bed46c6d41b7e65abcaf8e8702
--- /dev/null
+++ b/models/__init__.py
@@ -0,0 +1,2 @@
+"""TargetDiff model components."""
+
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diff --git a/models/__pycache__/uni_transformer.cpython-311.pyc b/models/__pycache__/uni_transformer.cpython-311.pyc
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diff --git a/models/common.py b/models/common.py
new file mode 100644
index 0000000000000000000000000000000000000000..03f03ce603d2730d147d85aa0494979b32e6cb0e
--- /dev/null
+++ b/models/common.py
@@ -0,0 +1,212 @@
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+from torch_geometric.nn import knn_graph
+
+
+class GaussianSmearing(nn.Module):
+ def __init__(self, start=0.0, stop=5.0, num_gaussians=50, fixed_offset=True):
+ super(GaussianSmearing, self).__init__()
+ self.start = start
+ self.stop = stop
+ self.num_gaussians = num_gaussians
+ if fixed_offset:
+ # customized offset
+ offset = torch.tensor([0, 1, 1.25, 1.5, 1.75, 2, 2.25, 2.5, 2.75, 3, 3.5, 4, 4.5, 5, 5.5, 6, 7, 8, 9, 10])
+ else:
+ offset = torch.linspace(start, stop, num_gaussians)
+ self.coeff = -0.5 / (offset[1] - offset[0]).item() ** 2
+ self.register_buffer('offset', offset)
+
+ def __repr__(self):
+ return f'GaussianSmearing(start={self.start}, stop={self.stop}, num_gaussians={self.num_gaussians})'
+
+ def forward(self, dist):
+ dist = dist.view(-1, 1) - self.offset.view(1, -1)
+ return torch.exp(self.coeff * torch.pow(dist, 2))
+
+
+class AngleExpansion(nn.Module):
+ def __init__(self, start=1.0, stop=5.0, half_expansion=10):
+ super(AngleExpansion, self).__init__()
+ l_mul = 1. / torch.linspace(stop, start, half_expansion)
+ r_mul = torch.linspace(start, stop, half_expansion)
+ coeff = torch.cat([l_mul, r_mul], dim=-1)
+ self.register_buffer('coeff', coeff)
+
+ def forward(self, angle):
+ return torch.cos(angle.view(-1, 1) * self.coeff.view(1, -1))
+
+
+class Swish(nn.Module):
+ def __init__(self):
+ super(Swish, self).__init__()
+ self.beta = nn.Parameter(torch.tensor(1.0))
+
+ def forward(self, x):
+ return x * torch.sigmoid(self.beta * x)
+
+
+NONLINEARITIES = {
+ "tanh": nn.Tanh(),
+ "relu": nn.ReLU(),
+ "softplus": nn.Softplus(),
+ "elu": nn.ELU(),
+ "swish": Swish(),
+ 'silu': nn.SiLU()
+}
+
+
+class MLP(nn.Module):
+ """MLP with the same hidden dim across all layers."""
+
+ def __init__(self, in_dim, out_dim, hidden_dim, num_layer=2, norm=True, act_fn='relu', act_last=False):
+ super().__init__()
+ layers = []
+ for layer_idx in range(num_layer):
+ if layer_idx == 0:
+ layers.append(nn.Linear(in_dim, hidden_dim))
+ elif layer_idx == num_layer - 1:
+ layers.append(nn.Linear(hidden_dim, out_dim))
+ else:
+ layers.append(nn.Linear(hidden_dim, hidden_dim))
+ if layer_idx < num_layer - 1 or act_last:
+ if norm:
+ layers.append(nn.LayerNorm(hidden_dim))
+ layers.append(NONLINEARITIES[act_fn])
+ self.net = nn.Sequential(*layers)
+
+ def forward(self, x):
+ return self.net(x)
+
+
+def outer_product(*vectors):
+ for index, vector in enumerate(vectors):
+ if index == 0:
+ out = vector.unsqueeze(-1)
+ else:
+ out = out * vector.unsqueeze(1)
+ out = out.view(out.shape[0], -1).unsqueeze(-1)
+ return out.squeeze()
+
+
+def get_h_dist(dist_metric, hi, hj):
+ if dist_metric == 'euclidean':
+ h_dist = torch.sum((hi - hj) ** 2, -1, keepdim=True)
+ return h_dist
+ elif dist_metric == 'cos_sim':
+ hi_norm = torch.norm(hi, p=2, dim=-1, keepdim=True)
+ hj_norm = torch.norm(hj, p=2, dim=-1, keepdim=True)
+ h_dist = torch.sum(hi * hj, -1, keepdim=True) / (hi_norm * hj_norm)
+ return h_dist, hj_norm
+
+
+def get_r_feat(r, r_exp_func, node_type=None, edge_index=None, mode='basic'):
+ if mode == 'origin':
+ r_feat = r
+ elif mode == 'basic':
+ r_feat = r_exp_func(r)
+ elif mode == 'sparse':
+ src, dst = edge_index
+ nt_src = node_type[src] # [n_edges, 8]
+ nt_dst = node_type[dst]
+ r_exp = r_exp_func(r)
+ r_feat = outer_product(nt_src, nt_dst, r_exp)
+ else:
+ raise ValueError(mode)
+ return r_feat
+
+
+def compose_context(h_protein, h_ligand, pos_protein, pos_ligand, batch_protein, batch_ligand):
+ # previous version has problems when ligand atom types are fixed
+ # (due to sorting randomly in case of same element)
+
+ batch_ctx = torch.cat([batch_protein, batch_ligand], dim=0)
+ # sort_idx = batch_ctx.argsort()
+ sort_idx = torch.sort(batch_ctx, stable=True).indices
+
+ mask_ligand = torch.cat([
+ torch.zeros([batch_protein.size(0)], device=batch_protein.device).bool(),
+ torch.ones([batch_ligand.size(0)], device=batch_ligand.device).bool(),
+ ], dim=0)[sort_idx]
+
+ batch_ctx = batch_ctx[sort_idx]
+ h_ctx = torch.cat([h_protein, h_ligand], dim=0)[sort_idx] # (N_protein+N_ligand, H)
+ pos_ctx = torch.cat([pos_protein, pos_ligand], dim=0)[sort_idx] # (N_protein+N_ligand, 3)
+
+ return h_ctx, pos_ctx, batch_ctx, mask_ligand
+
+
+def compose_context_prop(h_protein, h_ligand, pos_protein, pos_ligand, batch_protein, batch_ligand):
+ batch_ctx = torch.cat([batch_protein, batch_ligand], dim=0)
+ sort_idx = batch_ctx.argsort()
+
+ mask_protein = torch.cat([
+ torch.ones([batch_protein.size(0)], device=batch_protein.device).bool(),
+ torch.zeros([batch_ligand.size(0)], device=batch_ligand.device).bool(),
+ ], dim=0)[sort_idx]
+
+ batch_ctx = batch_ctx[sort_idx]
+ h_ctx = torch.cat([h_protein, h_ligand], dim=0)[sort_idx] # (N_protein+N_ligand, H)
+ pos_ctx = torch.cat([pos_protein, pos_ligand], dim=0)[sort_idx] # (N_protein+N_ligand, 3)
+
+ return h_ctx, pos_ctx, batch_ctx
+
+
+class ShiftedSoftplus(nn.Module):
+ def __init__(self):
+ super().__init__()
+ self.shift = torch.log(torch.tensor(2.0)).item()
+
+ def forward(self, x):
+ return F.softplus(x) - self.shift
+
+
+def hybrid_edge_connection(ligand_pos, protein_pos, k, ligand_index, protein_index):
+ # fully-connected for ligand atoms
+ dst = torch.repeat_interleave(ligand_index, len(ligand_index))
+ src = ligand_index.repeat(len(ligand_index))
+ mask = dst != src
+ dst, src = dst[mask], src[mask]
+ ll_edge_index = torch.stack([src, dst])
+
+ # knn for ligand-protein edges
+ ligand_protein_pos_dist = torch.unsqueeze(ligand_pos, 1) - torch.unsqueeze(protein_pos, 0)
+ ligand_protein_pos_dist = torch.norm(ligand_protein_pos_dist, p=2, dim=-1)
+ knn_p_idx = torch.topk(ligand_protein_pos_dist, k=k, largest=False, dim=1).indices
+ knn_p_idx = protein_index[knn_p_idx]
+ knn_l_idx = torch.unsqueeze(ligand_index, 1)
+ knn_l_idx = knn_l_idx.repeat(1, k)
+ pl_edge_index = torch.stack([knn_p_idx, knn_l_idx], dim=0)
+ pl_edge_index = pl_edge_index.view(2, -1)
+ return ll_edge_index, pl_edge_index
+
+
+def batch_hybrid_edge_connection(x, k, mask_ligand, batch, add_p_index=False):
+ batch_size = batch.max().item() + 1
+ batch_ll_edge_index, batch_pl_edge_index, batch_p_edge_index = [], [], []
+ with torch.no_grad():
+ for i in range(batch_size):
+ ligand_index = ((batch == i) & (mask_ligand == 1)).nonzero()[:, 0]
+ protein_index = ((batch == i) & (mask_ligand == 0)).nonzero()[:, 0]
+ ligand_pos, protein_pos = x[ligand_index], x[protein_index]
+ ll_edge_index, pl_edge_index = hybrid_edge_connection(
+ ligand_pos, protein_pos, k, ligand_index, protein_index)
+ batch_ll_edge_index.append(ll_edge_index)
+ batch_pl_edge_index.append(pl_edge_index)
+ if add_p_index:
+ all_pos = torch.cat([protein_pos, ligand_pos], 0)
+ p_edge_index = knn_graph(all_pos, k=k, flow='source_to_target')
+ p_edge_index = p_edge_index[:, p_edge_index[1] < len(protein_pos)]
+ p_src, p_dst = p_edge_index
+ all_index = torch.cat([protein_index, ligand_index], 0)
+ p_edge_index = torch.stack([all_index[p_src], all_index[p_dst]], 0)
+ batch_p_edge_index.append(p_edge_index)
+
+ if add_p_index:
+ edge_index = [torch.cat([ll, pl, p], -1) for ll, pl, p in zip(
+ batch_ll_edge_index, batch_pl_edge_index, batch_p_edge_index)]
+ else:
+ edge_index = [torch.cat([ll, pl], -1) for ll, pl in zip(batch_ll_edge_index, batch_pl_edge_index)]
+ edge_index = torch.cat(edge_index, -1)
+ return edge_index
diff --git a/models/egnn.py b/models/egnn.py
new file mode 100644
index 0000000000000000000000000000000000000000..8507a560597e4a2be06edf3cd10649268555ad1b
--- /dev/null
+++ b/models/egnn.py
@@ -0,0 +1,133 @@
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+from torch_scatter import scatter_sum
+from torch_geometric.nn import radius_graph, knn_graph
+from .common import GaussianSmearing, MLP, batch_hybrid_edge_connection, NONLINEARITIES
+
+
+class EnBaseLayer(nn.Module):
+ def __init__(self, hidden_dim, edge_feat_dim, num_r_gaussian, update_x=True, act_fn='silu', norm=False):
+ super().__init__()
+ self.r_min = 0.
+ self.r_max = 10.
+ self.hidden_dim = hidden_dim
+ self.num_r_gaussian = num_r_gaussian
+ self.edge_feat_dim = edge_feat_dim
+ self.update_x = update_x
+ self.act_fn = act_fn
+ self.norm = norm
+ if num_r_gaussian > 1:
+ self.distance_expansion = GaussianSmearing(self.r_min, self.r_max, num_gaussians=num_r_gaussian)
+ self.edge_mlp = MLP(2 * hidden_dim + edge_feat_dim + num_r_gaussian, hidden_dim, hidden_dim,
+ num_layer=2, norm=norm, act_fn=act_fn, act_last=True)
+ self.edge_inf = nn.Sequential(nn.Linear(hidden_dim, 1), nn.Sigmoid())
+ if self.update_x:
+ # self.x_mlp = MLP(hidden_dim, 1, hidden_dim, num_layer=2, norm=norm, act_fn=act_fn)
+ x_mlp = [nn.Linear(hidden_dim, hidden_dim), NONLINEARITIES[act_fn]]
+ layer = nn.Linear(hidden_dim, 1, bias=False)
+ torch.nn.init.xavier_uniform_(layer.weight, gain=0.001)
+ x_mlp.append(layer)
+ x_mlp.append(nn.Tanh())
+ self.x_mlp = nn.Sequential(*x_mlp)
+
+ self.node_mlp = MLP(2 * hidden_dim, hidden_dim, hidden_dim, num_layer=2, norm=norm, act_fn=act_fn)
+
+ def forward(self, h, x, edge_index, mask_ligand, edge_attr=None):
+ src, dst = edge_index
+ hi, hj = h[dst], h[src]
+ # \phi_e in Eq(3)
+ rel_x = x[dst] - x[src]
+ d_sq = torch.sum(rel_x ** 2, -1, keepdim=True)
+ if self.num_r_gaussian > 1:
+ d_feat = self.distance_expansion(torch.sqrt(d_sq + 1e-8))
+ else:
+ d_feat = d_sq
+ if edge_attr is not None:
+ edge_feat = torch.cat([d_feat, edge_attr], -1)
+ else:
+ edge_feat = d_sq
+
+ mij = self.edge_mlp(torch.cat([hi, hj, edge_feat], -1))
+ eij = self.edge_inf(mij)
+ mi = scatter_sum(mij * eij, dst, dim=0, dim_size=h.shape[0])
+
+ # h update in Eq(6)
+ h = h + self.node_mlp(torch.cat([mi, h], -1))
+ if self.update_x:
+ # x update in Eq(4)
+ xi, xj = x[dst], x[src]
+ # (xi - xj) / (\|xi - xj\| + C) to make it more stable
+ delta_x = scatter_sum((xi - xj) / (torch.sqrt(d_sq + 1e-8) + 1) * self.x_mlp(mij), dst, dim=0)
+ x = x + delta_x * mask_ligand[:, None] # only ligand positions will be updated
+
+ return h, x
+
+
+class EGNN(nn.Module):
+ def __init__(self, num_layers, hidden_dim, edge_feat_dim, num_r_gaussian, k=32, cutoff=10.0, cutoff_mode='knn',
+ update_x=True, act_fn='silu', norm=False):
+ super().__init__()
+ # Build the network
+ self.num_layers = num_layers
+ self.hidden_dim = hidden_dim
+ self.edge_feat_dim = edge_feat_dim
+ self.num_r_gaussian = num_r_gaussian
+ self.update_x = update_x
+ self.act_fn = act_fn
+ self.norm = norm
+ self.k = k
+ self.cutoff = cutoff
+ self.cutoff_mode = cutoff_mode
+ self.distance_expansion = GaussianSmearing(stop=cutoff, num_gaussians=num_r_gaussian)
+ self.net = self._build_network()
+
+ def _build_network(self):
+ # Equivariant layers
+ layers = []
+ for l_idx in range(self.num_layers):
+ layer = EnBaseLayer(self.hidden_dim, self.edge_feat_dim, self.num_r_gaussian,
+ update_x=self.update_x, act_fn=self.act_fn, norm=self.norm)
+ layers.append(layer)
+ return nn.ModuleList(layers)
+
+ # todo: refactor
+ def _connect_edge(self, x, mask_ligand, batch):
+ # if self.cutoff_mode == 'radius':
+ # edge_index = radius_graph(x, r=self.r, batch=batch, flow='source_to_target')
+ if self.cutoff_mode == 'knn':
+ edge_index = knn_graph(x, k=self.k, batch=batch, flow='source_to_target')
+ elif self.cutoff_mode == 'hybrid':
+ edge_index = batch_hybrid_edge_connection(
+ x, k=self.k, mask_ligand=mask_ligand, batch=batch, add_p_index=True)
+ else:
+ raise ValueError(f'Not supported cutoff mode: {self.cutoff_mode}')
+ return edge_index
+
+ # todo: refactor
+ @staticmethod
+ def _build_edge_type(edge_index, mask_ligand):
+ src, dst = edge_index
+ edge_type = torch.zeros(len(src)).to(edge_index)
+ n_src = mask_ligand[src] == 1
+ n_dst = mask_ligand[dst] == 1
+ edge_type[n_src & n_dst] = 0
+ edge_type[n_src & ~n_dst] = 1
+ edge_type[~n_src & n_dst] = 2
+ edge_type[~n_src & ~n_dst] = 3
+ edge_type = F.one_hot(edge_type, num_classes=4)
+ return edge_type
+
+ def forward(self, h, x, mask_ligand, batch, return_all=False):
+ all_x = [x]
+ all_h = [h]
+ for l_idx, layer in enumerate(self.net):
+ edge_index = self._connect_edge(x, mask_ligand, batch)
+ edge_type = self._build_edge_type(edge_index, mask_ligand)
+ h, x = layer(h, x, edge_index, mask_ligand, edge_attr=edge_type)
+ all_x.append(x)
+ all_h.append(h)
+ outputs = {'x': x, 'h': h}
+ if return_all:
+ outputs.update({'all_x': all_x, 'all_h': all_h})
+ return outputs
diff --git a/models/molopt_score_model.py b/models/molopt_score_model.py
new file mode 100644
index 0000000000000000000000000000000000000000..9a3300198579925ba6774c95f0560aac14d95c90
--- /dev/null
+++ b/models/molopt_score_model.py
@@ -0,0 +1,708 @@
+import numpy as np
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+from torch_scatter import scatter_sum, scatter_mean
+from tqdm.auto import tqdm
+
+from .common import compose_context, ShiftedSoftplus
+from .egnn import EGNN
+from .uni_transformer import UniTransformerO2TwoUpdateGeneral
+
+
+def get_refine_net(refine_net_type, config):
+ if refine_net_type == 'uni_o2':
+ refine_net = UniTransformerO2TwoUpdateGeneral(
+ num_blocks=config.num_blocks,
+ num_layers=config.num_layers,
+ hidden_dim=config.hidden_dim,
+ n_heads=config.n_heads,
+ k=config.knn,
+ edge_feat_dim=config.edge_feat_dim,
+ num_r_gaussian=config.num_r_gaussian,
+ num_node_types=config.num_node_types,
+ act_fn=config.act_fn,
+ norm=config.norm,
+ cutoff_mode=config.cutoff_mode,
+ ew_net_type=config.ew_net_type,
+ num_x2h=config.num_x2h,
+ num_h2x=config.num_h2x,
+ r_max=config.r_max,
+ x2h_out_fc=config.x2h_out_fc,
+ sync_twoup=config.sync_twoup
+ )
+ elif refine_net_type == 'egnn':
+ refine_net = EGNN(
+ num_layers=config.num_layers,
+ hidden_dim=config.hidden_dim,
+ edge_feat_dim=config.edge_feat_dim,
+ num_r_gaussian=1,
+ k=config.knn,
+ cutoff_mode=config.cutoff_mode
+ )
+ else:
+ raise ValueError(refine_net_type)
+ return refine_net
+
+
+def get_beta_schedule(beta_schedule, *, beta_start, beta_end, num_diffusion_timesteps):
+ def sigmoid(x):
+ return 1 / (np.exp(-x) + 1)
+
+ if beta_schedule == "quad":
+ betas = (
+ np.linspace(
+ beta_start ** 0.5,
+ beta_end ** 0.5,
+ num_diffusion_timesteps,
+ dtype=np.float64,
+ )
+ ** 2
+ )
+ elif beta_schedule == "linear":
+ betas = np.linspace(
+ beta_start, beta_end, num_diffusion_timesteps, dtype=np.float64
+ )
+ elif beta_schedule == "const":
+ betas = beta_end * np.ones(num_diffusion_timesteps, dtype=np.float64)
+ elif beta_schedule == "jsd": # 1/T, 1/(T-1), 1/(T-2), ..., 1
+ betas = 1.0 / np.linspace(
+ num_diffusion_timesteps, 1, num_diffusion_timesteps, dtype=np.float64
+ )
+ elif beta_schedule == "sigmoid":
+ betas = np.linspace(-6, 6, num_diffusion_timesteps)
+ betas = sigmoid(betas) * (beta_end - beta_start) + beta_start
+ else:
+ raise NotImplementedError(beta_schedule)
+ assert betas.shape == (num_diffusion_timesteps,)
+ return betas
+
+
+def cosine_beta_schedule(timesteps, s=0.008):
+ """
+ cosine schedule
+ as proposed in https://openreview.net/forum?id=-NEXDKk8gZ
+ """
+ steps = timesteps + 1
+ x = np.linspace(0, steps, steps)
+ alphas_cumprod = np.cos(((x / steps) + s) / (1 + s) * np.pi * 0.5) ** 2
+ alphas_cumprod = alphas_cumprod / alphas_cumprod[0]
+ alphas = (alphas_cumprod[1:] / alphas_cumprod[:-1])
+
+ alphas = np.clip(alphas, a_min=0.001, a_max=1.)
+
+ # Use sqrt of this, so the alpha in our paper is the alpha_sqrt from the
+ # Gaussian diffusion in Ho et al.
+ alphas = np.sqrt(alphas)
+ return alphas
+
+
+def get_distance(pos, edge_index):
+ return (pos[edge_index[0]] - pos[edge_index[1]]).norm(dim=-1)
+
+
+def to_torch_const(x):
+ x = torch.from_numpy(x).float()
+ x = nn.Parameter(x, requires_grad=False)
+ return x
+
+
+def center_pos(protein_pos, ligand_pos, batch_protein, batch_ligand, mode='protein'):
+ if mode == 'none':
+ offset = 0.
+ pass
+ elif mode == 'protein':
+ offset = scatter_mean(protein_pos, batch_protein, dim=0)
+ protein_pos = protein_pos - offset[batch_protein]
+ ligand_pos = ligand_pos - offset[batch_ligand]
+ else:
+ raise NotImplementedError
+ return protein_pos, ligand_pos, offset
+
+
+# %% categorical diffusion related
+def index_to_log_onehot(x, num_classes):
+ assert x.max().item() < num_classes, f'Error: {x.max().item()} >= {num_classes}'
+ x_onehot = F.one_hot(x, num_classes)
+ # permute_order = (0, -1) + tuple(range(1, len(x.size())))
+ # x_onehot = x_onehot.permute(permute_order)
+ log_x = torch.log(x_onehot.float().clamp(min=1e-30))
+ return log_x
+
+
+def log_onehot_to_index(log_x):
+ return log_x.argmax(1)
+
+
+def categorical_kl(log_prob1, log_prob2):
+ kl = (log_prob1.exp() * (log_prob1 - log_prob2)).sum(dim=1)
+ return kl
+
+
+def log_categorical(log_x_start, log_prob):
+ return (log_x_start.exp() * log_prob).sum(dim=1)
+
+
+def normal_kl(mean1, logvar1, mean2, logvar2):
+ """
+ KL divergence between normal distributions parameterized by mean and log-variance.
+ """
+ kl = 0.5 * (-1.0 + logvar2 - logvar1 + torch.exp(logvar1 - logvar2) + (mean1 - mean2) ** 2 * torch.exp(-logvar2))
+ return kl.sum(-1)
+
+
+def log_normal(values, means, log_scales):
+ var = torch.exp(log_scales * 2)
+ log_prob = -((values - means) ** 2) / (2 * var) - log_scales - np.log(np.sqrt(2 * np.pi))
+ return log_prob.sum(-1)
+
+
+def log_sample_categorical(logits):
+ uniform = torch.rand_like(logits)
+ gumbel_noise = -torch.log(-torch.log(uniform + 1e-30) + 1e-30)
+ sample_index = (gumbel_noise + logits).argmax(dim=-1)
+ # sample_onehot = F.one_hot(sample, self.num_classes)
+ # log_sample = index_to_log_onehot(sample, self.num_classes)
+ return sample_index
+
+
+def log_1_min_a(a):
+ return np.log(1 - np.exp(a) + 1e-40)
+
+
+def log_add_exp(a, b):
+ maximum = torch.max(a, b)
+ return maximum + torch.log(torch.exp(a - maximum) + torch.exp(b - maximum))
+
+
+# %%
+
+
+# Time embedding
+class SinusoidalPosEmb(nn.Module):
+ def __init__(self, dim):
+ super().__init__()
+ self.dim = dim
+
+ def forward(self, x):
+ device = x.device
+ half_dim = self.dim // 2
+ emb = np.log(10000) / (half_dim - 1)
+ emb = torch.exp(torch.arange(half_dim, device=device) * -emb)
+ emb = x[:, None] * emb[None, :]
+ emb = torch.cat((emb.sin(), emb.cos()), dim=-1)
+ return emb
+
+
+# Model
+class ScorePosNet3D(nn.Module):
+
+ def __init__(self, config, protein_atom_feature_dim, ligand_atom_feature_dim):
+ super().__init__()
+ self.config = config
+
+ # variance schedule
+ self.model_mean_type = config.model_mean_type # ['noise', 'C0']
+ self.loss_v_weight = config.loss_v_weight
+ # self.v_mode = config.v_mode
+ # assert self.v_mode == 'categorical'
+ # self.v_net_type = getattr(config, 'v_net_type', 'mlp')
+ # self.bond_loss = getattr(config, 'bond_loss', False)
+ # self.bond_net_type = getattr(config, 'bond_net_type', 'pre_att')
+ # self.loss_bond_weight = getattr(config, 'loss_bond_weight', 0.)
+ # self.loss_non_bond_weight = getattr(config, 'loss_non_bond_weight', 0.)
+
+ self.sample_time_method = config.sample_time_method # ['importance', 'symmetric']
+ # self.loss_pos_type = config.loss_pos_type # ['mse', 'kl']
+ # print(f'Loss pos mode {self.loss_pos_type} applied!')
+ # print(f'Loss bond net type: {self.bond_net_type} '
+ # f'bond weight: {self.loss_bond_weight} non bond weight: {self.loss_non_bond_weight}')
+
+ if config.beta_schedule == 'cosine':
+ alphas = cosine_beta_schedule(config.num_diffusion_timesteps, config.pos_beta_s) ** 2
+ # print('cosine pos alpha schedule applied!')
+ betas = 1. - alphas
+ else:
+ betas = get_beta_schedule(
+ beta_schedule=config.beta_schedule,
+ beta_start=config.beta_start,
+ beta_end=config.beta_end,
+ num_diffusion_timesteps=config.num_diffusion_timesteps,
+ )
+ alphas = 1. - betas
+ alphas_cumprod = np.cumprod(alphas, axis=0)
+ alphas_cumprod_prev = np.append(1., alphas_cumprod[:-1])
+
+ self.betas = to_torch_const(betas)
+ self.num_timesteps = self.betas.size(0)
+ self.alphas_cumprod = to_torch_const(alphas_cumprod)
+ self.alphas_cumprod_prev = to_torch_const(alphas_cumprod_prev)
+
+ # calculations for diffusion q(x_t | x_{t-1}) and others
+ self.sqrt_alphas_cumprod = to_torch_const(np.sqrt(alphas_cumprod))
+ self.sqrt_one_minus_alphas_cumprod = to_torch_const(np.sqrt(1. - alphas_cumprod))
+ self.sqrt_recip_alphas_cumprod = to_torch_const(np.sqrt(1. / alphas_cumprod))
+ self.sqrt_recipm1_alphas_cumprod = to_torch_const(np.sqrt(1. / alphas_cumprod - 1))
+
+ # calculations for posterior q(x_{t-1} | x_t, x_0)
+ posterior_variance = betas * (1. - alphas_cumprod_prev) / (1. - alphas_cumprod)
+ self.posterior_mean_c0_coef = to_torch_const(betas * np.sqrt(alphas_cumprod_prev) / (1. - alphas_cumprod))
+ self.posterior_mean_ct_coef = to_torch_const(
+ (1. - alphas_cumprod_prev) * np.sqrt(alphas) / (1. - alphas_cumprod))
+ # log calculation clipped because the posterior variance is 0 at the beginning of the diffusion chain
+ self.posterior_var = to_torch_const(posterior_variance)
+ self.posterior_logvar = to_torch_const(np.log(np.append(self.posterior_var[1], self.posterior_var[1:])))
+
+ # atom type diffusion schedule in log space
+ if config.v_beta_schedule == 'cosine':
+ alphas_v = cosine_beta_schedule(self.num_timesteps, config.v_beta_s)
+ # print('cosine v alpha schedule applied!')
+ else:
+ raise NotImplementedError
+ log_alphas_v = np.log(alphas_v)
+ log_alphas_cumprod_v = np.cumsum(log_alphas_v)
+ self.log_alphas_v = to_torch_const(log_alphas_v)
+ self.log_one_minus_alphas_v = to_torch_const(log_1_min_a(log_alphas_v))
+ self.log_alphas_cumprod_v = to_torch_const(log_alphas_cumprod_v)
+ self.log_one_minus_alphas_cumprod_v = to_torch_const(log_1_min_a(log_alphas_cumprod_v))
+
+ self.register_buffer('Lt_history', torch.zeros(self.num_timesteps))
+ self.register_buffer('Lt_count', torch.zeros(self.num_timesteps))
+
+ # model definition
+ self.hidden_dim = config.hidden_dim
+ self.num_classes = ligand_atom_feature_dim
+ if self.config.node_indicator:
+ emb_dim = self.hidden_dim - 1
+ else:
+ emb_dim = self.hidden_dim
+
+ # atom embedding
+ self.protein_atom_emb = nn.Linear(protein_atom_feature_dim, emb_dim)
+
+ # center pos
+ self.center_pos_mode = config.center_pos_mode # ['none', 'protein']
+
+ # time embedding
+ self.time_emb_dim = config.time_emb_dim
+ self.time_emb_mode = config.time_emb_mode # ['simple', 'sin']
+ if self.time_emb_dim > 0:
+ if self.time_emb_mode == 'simple':
+ self.ligand_atom_emb = nn.Linear(ligand_atom_feature_dim + 1, emb_dim)
+ elif self.time_emb_mode == 'sin':
+ self.time_emb = nn.Sequential(
+ SinusoidalPosEmb(self.time_emb_dim),
+ nn.Linear(self.time_emb_dim, self.time_emb_dim * 4),
+ nn.GELU(),
+ nn.Linear(self.time_emb_dim * 4, self.time_emb_dim)
+ )
+ self.ligand_atom_emb = nn.Linear(ligand_atom_feature_dim + self.time_emb_dim, emb_dim)
+ else:
+ raise NotImplementedError
+ else:
+ self.ligand_atom_emb = nn.Linear(ligand_atom_feature_dim, emb_dim)
+
+ self.refine_net_type = config.model_type
+ self.refine_net = get_refine_net(self.refine_net_type, config)
+ self.v_inference = nn.Sequential(
+ nn.Linear(self.hidden_dim, self.hidden_dim),
+ ShiftedSoftplus(),
+ nn.Linear(self.hidden_dim, ligand_atom_feature_dim),
+ )
+
+ def forward(self, protein_pos, protein_v, batch_protein, init_ligand_pos, init_ligand_v, batch_ligand,
+ time_step=None, return_all=False, fix_x=False):
+
+ batch_size = batch_protein.max().item() + 1
+ init_ligand_v = F.one_hot(init_ligand_v, self.num_classes).float()
+ # time embedding
+ if self.time_emb_dim > 0:
+ if self.time_emb_mode == 'simple':
+ input_ligand_feat = torch.cat([
+ init_ligand_v,
+ (time_step / self.num_timesteps)[batch_ligand].unsqueeze(-1)
+ ], -1)
+ elif self.time_emb_mode == 'sin':
+ time_feat = self.time_emb(time_step)
+ input_ligand_feat = torch.cat([init_ligand_v, time_feat], -1)
+ else:
+ raise NotImplementedError
+ else:
+ input_ligand_feat = init_ligand_v
+
+ h_protein = self.protein_atom_emb(protein_v)
+ init_ligand_h = self.ligand_atom_emb(input_ligand_feat)
+
+ if self.config.node_indicator:
+ h_protein = torch.cat([h_protein, torch.zeros(len(h_protein), 1).to(h_protein)], -1)
+ init_ligand_h = torch.cat([init_ligand_h, torch.ones(len(init_ligand_h), 1).to(h_protein)], -1)
+
+ h_all, pos_all, batch_all, mask_ligand = compose_context(
+ h_protein=h_protein,
+ h_ligand=init_ligand_h,
+ pos_protein=protein_pos,
+ pos_ligand=init_ligand_pos,
+ batch_protein=batch_protein,
+ batch_ligand=batch_ligand,
+ )
+
+ outputs = self.refine_net(h_all, pos_all, mask_ligand, batch_all, return_all=return_all, fix_x=fix_x)
+ final_pos, final_h = outputs['x'], outputs['h']
+ final_ligand_pos, final_ligand_h = final_pos[mask_ligand], final_h[mask_ligand]
+ final_ligand_v = self.v_inference(final_ligand_h)
+
+ preds = {
+ 'pred_ligand_pos': final_ligand_pos,
+ 'pred_ligand_v': final_ligand_v,
+ 'final_h': final_h,
+ 'final_ligand_h': final_ligand_h
+ }
+ if return_all:
+ final_all_pos, final_all_h = outputs['all_x'], outputs['all_h']
+ final_all_ligand_pos = [pos[mask_ligand] for pos in final_all_pos]
+ final_all_ligand_v = [self.v_inference(h[mask_ligand]) for h in final_all_h]
+ preds.update({
+ 'layer_pred_ligand_pos': final_all_ligand_pos,
+ 'layer_pred_ligand_v': final_all_ligand_v
+ })
+ return preds
+
+ # atom type diffusion process
+ def q_v_pred_one_timestep(self, log_vt_1, t, batch):
+ # q(vt | vt-1)
+ log_alpha_t = extract(self.log_alphas_v, t, batch)
+ log_1_min_alpha_t = extract(self.log_one_minus_alphas_v, t, batch)
+
+ # alpha_t * vt + (1 - alpha_t) 1 / K
+ log_probs = log_add_exp(
+ log_vt_1 + log_alpha_t,
+ log_1_min_alpha_t - np.log(self.num_classes)
+ )
+ return log_probs
+
+ def q_v_pred(self, log_v0, t, batch):
+ # compute q(vt | v0)
+ log_cumprod_alpha_t = extract(self.log_alphas_cumprod_v, t, batch)
+ log_1_min_cumprod_alpha = extract(self.log_one_minus_alphas_cumprod_v, t, batch)
+
+ log_probs = log_add_exp(
+ log_v0 + log_cumprod_alpha_t,
+ log_1_min_cumprod_alpha - np.log(self.num_classes)
+ )
+ return log_probs
+
+ def q_v_sample(self, log_v0, t, batch):
+ log_qvt_v0 = self.q_v_pred(log_v0, t, batch)
+ sample_index = log_sample_categorical(log_qvt_v0)
+ log_sample = index_to_log_onehot(sample_index, self.num_classes)
+ return sample_index, log_sample
+
+ # atom type generative process
+ def q_v_posterior(self, log_v0, log_vt, t, batch):
+ # q(vt-1 | vt, v0) = q(vt | vt-1, x0) * q(vt-1 | x0) / q(vt | x0)
+ t_minus_1 = t - 1
+ # Remove negative values, will not be used anyway for final decoder
+ t_minus_1 = torch.where(t_minus_1 < 0, torch.zeros_like(t_minus_1), t_minus_1)
+ log_qvt1_v0 = self.q_v_pred(log_v0, t_minus_1, batch)
+ unnormed_logprobs = log_qvt1_v0 + self.q_v_pred_one_timestep(log_vt, t, batch)
+ log_vt1_given_vt_v0 = unnormed_logprobs - torch.logsumexp(unnormed_logprobs, dim=-1, keepdim=True)
+ return log_vt1_given_vt_v0
+
+ def kl_v_prior(self, log_x_start, batch):
+ num_graphs = batch.max().item() + 1
+ log_qxT_prob = self.q_v_pred(log_x_start, t=[self.num_timesteps - 1] * num_graphs, batch=batch)
+ log_half_prob = -torch.log(self.num_classes * torch.ones_like(log_qxT_prob))
+ kl_prior = categorical_kl(log_qxT_prob, log_half_prob)
+ kl_prior = scatter_mean(kl_prior, batch, dim=0)
+ return kl_prior
+
+ def _predict_x0_from_eps(self, xt, eps, t, batch):
+ pos0_from_e = extract(self.sqrt_recip_alphas_cumprod, t, batch) * xt - \
+ extract(self.sqrt_recipm1_alphas_cumprod, t, batch) * eps
+ return pos0_from_e
+
+ def q_pos_posterior(self, x0, xt, t, batch):
+ # Compute the mean and variance of the diffusion posterior q(x_{t-1} | x_t, x_0)
+ pos_model_mean = extract(self.posterior_mean_c0_coef, t, batch) * x0 + \
+ extract(self.posterior_mean_ct_coef, t, batch) * xt
+ return pos_model_mean
+
+ def kl_pos_prior(self, pos0, batch):
+ num_graphs = batch.max().item() + 1
+ a_pos = extract(self.alphas_cumprod, [self.num_timesteps - 1] * num_graphs, batch) # (num_ligand_atoms, 1)
+ pos_model_mean = a_pos.sqrt() * pos0
+ pos_log_variance = torch.log((1.0 - a_pos).sqrt())
+ kl_prior = normal_kl(torch.zeros_like(pos_model_mean), torch.zeros_like(pos_log_variance),
+ pos_model_mean, pos_log_variance)
+ kl_prior = scatter_mean(kl_prior, batch, dim=0)
+ return kl_prior
+
+ def sample_time(self, num_graphs, device, method):
+ if method == 'importance':
+ if not (self.Lt_count > 10).all():
+ return self.sample_time(num_graphs, device, method='symmetric')
+
+ Lt_sqrt = torch.sqrt(self.Lt_history + 1e-10) + 0.0001
+ Lt_sqrt[0] = Lt_sqrt[1] # Overwrite decoder term with L1.
+ pt_all = Lt_sqrt / Lt_sqrt.sum()
+
+ time_step = torch.multinomial(pt_all, num_samples=num_graphs, replacement=True)
+ pt = pt_all.gather(dim=0, index=time_step)
+ return time_step, pt
+
+ elif method == 'symmetric':
+ time_step = torch.randint(
+ 0, self.num_timesteps, size=(num_graphs // 2 + 1,), device=device)
+ time_step = torch.cat(
+ [time_step, self.num_timesteps - time_step - 1], dim=0)[:num_graphs]
+ pt = torch.ones_like(time_step).float() / self.num_timesteps
+ return time_step, pt
+
+ else:
+ raise ValueError
+
+ def compute_pos_Lt(self, pos_model_mean, x0, xt, t, batch):
+ # fixed pos variance
+ pos_log_variance = extract(self.posterior_logvar, t, batch)
+ pos_true_mean = self.q_pos_posterior(x0=x0, xt=xt, t=t, batch=batch)
+ kl_pos = normal_kl(pos_true_mean, pos_log_variance, pos_model_mean, pos_log_variance)
+ kl_pos = kl_pos / np.log(2.)
+
+ decoder_nll_pos = -log_normal(x0, means=pos_model_mean, log_scales=0.5 * pos_log_variance)
+ assert kl_pos.shape == decoder_nll_pos.shape
+ mask = (t == 0).float()[batch]
+ loss_pos = scatter_mean(mask * decoder_nll_pos + (1. - mask) * kl_pos, batch, dim=0)
+ return loss_pos
+
+ def compute_v_Lt(self, log_v_model_prob, log_v0, log_v_true_prob, t, batch):
+ kl_v = categorical_kl(log_v_true_prob, log_v_model_prob) # [num_atoms, ]
+ decoder_nll_v = -log_categorical(log_v0, log_v_model_prob) # L0
+ assert kl_v.shape == decoder_nll_v.shape
+ mask = (t == 0).float()[batch]
+ loss_v = scatter_mean(mask * decoder_nll_v + (1. - mask) * kl_v, batch, dim=0)
+ return loss_v
+
+ def get_diffusion_loss(
+ self, protein_pos, protein_v, batch_protein, ligand_pos, ligand_v, batch_ligand, time_step=None
+ ):
+ num_graphs = batch_protein.max().item() + 1
+ protein_pos, ligand_pos, _ = center_pos(
+ protein_pos, ligand_pos, batch_protein, batch_ligand, mode=self.center_pos_mode)
+
+ # 1. sample noise levels
+ if time_step is None:
+ time_step, pt = self.sample_time(num_graphs, protein_pos.device, self.sample_time_method)
+ else:
+ pt = torch.ones_like(time_step).float() / self.num_timesteps
+ a = self.alphas_cumprod.index_select(0, time_step) # (num_graphs, )
+
+ # 2. perturb pos and v
+ a_pos = a[batch_ligand].unsqueeze(-1) # (num_ligand_atoms, 1)
+ pos_noise = torch.zeros_like(ligand_pos)
+ pos_noise.normal_()
+ # Xt = a.sqrt() * X0 + (1-a).sqrt() * eps
+ ligand_pos_perturbed = a_pos.sqrt() * ligand_pos + (1.0 - a_pos).sqrt() * pos_noise # pos_noise * std
+ # Vt = a * V0 + (1-a) / K
+ log_ligand_v0 = index_to_log_onehot(ligand_v, self.num_classes)
+ ligand_v_perturbed, log_ligand_vt = self.q_v_sample(log_ligand_v0, time_step, batch_ligand)
+
+ # 3. forward-pass NN, feed perturbed pos and v, output noise
+ preds = self(
+ protein_pos=protein_pos,
+ protein_v=protein_v,
+ batch_protein=batch_protein,
+
+ init_ligand_pos=ligand_pos_perturbed,
+ init_ligand_v=ligand_v_perturbed,
+ batch_ligand=batch_ligand,
+ time_step=time_step
+ )
+
+ pred_ligand_pos, pred_ligand_v = preds['pred_ligand_pos'], preds['pred_ligand_v']
+ pred_pos_noise = pred_ligand_pos - ligand_pos_perturbed
+ # atom position
+ if self.model_mean_type == 'noise':
+ pos0_from_e = self._predict_x0_from_eps(
+ xt=ligand_pos_perturbed, eps=pred_pos_noise, t=time_step, batch=batch_ligand)
+ pos_model_mean = self.q_pos_posterior(
+ x0=pos0_from_e, xt=ligand_pos_perturbed, t=time_step, batch=batch_ligand)
+ elif self.model_mean_type == 'C0':
+ pos_model_mean = self.q_pos_posterior(
+ x0=pred_ligand_pos, xt=ligand_pos_perturbed, t=time_step, batch=batch_ligand)
+ else:
+ raise ValueError
+
+ # atom pos loss
+ if self.model_mean_type == 'C0':
+ target, pred = ligand_pos, pred_ligand_pos
+ elif self.model_mean_type == 'noise':
+ target, pred = pos_noise, pred_pos_noise
+ else:
+ raise ValueError
+ loss_pos = scatter_mean(((pred - target) ** 2).sum(-1), batch_ligand, dim=0)
+ loss_pos = torch.mean(loss_pos)
+
+ # atom type loss
+ log_ligand_v_recon = F.log_softmax(pred_ligand_v, dim=-1)
+ log_v_model_prob = self.q_v_posterior(log_ligand_v_recon, log_ligand_vt, time_step, batch_ligand)
+ log_v_true_prob = self.q_v_posterior(log_ligand_v0, log_ligand_vt, time_step, batch_ligand)
+ kl_v = self.compute_v_Lt(log_v_model_prob=log_v_model_prob, log_v0=log_ligand_v0,
+ log_v_true_prob=log_v_true_prob, t=time_step, batch=batch_ligand)
+ loss_v = torch.mean(kl_v)
+ loss = loss_pos + loss_v * self.loss_v_weight
+
+ return {
+ 'loss_pos': loss_pos,
+ 'loss_v': loss_v,
+ 'loss': loss,
+ 'x0': ligand_pos,
+ 'pred_ligand_pos': pred_ligand_pos,
+ 'pred_ligand_v': pred_ligand_v,
+ 'pred_pos_noise': pred_pos_noise,
+ 'ligand_v_recon': F.softmax(pred_ligand_v, dim=-1)
+ }
+
+ @torch.no_grad()
+ def likelihood_estimation(
+ self, protein_pos, protein_v, batch_protein, ligand_pos, ligand_v, batch_ligand, time_step
+ ):
+ protein_pos, ligand_pos, _ = center_pos(
+ protein_pos, ligand_pos, batch_protein, batch_ligand, mode='protein')
+ assert (time_step == self.num_timesteps).all() or (time_step < self.num_timesteps).all()
+ if (time_step == self.num_timesteps).all():
+ kl_pos_prior = self.kl_pos_prior(ligand_pos, batch_ligand)
+ log_ligand_v0 = index_to_log_onehot(batch_ligand, self.num_classes)
+ kl_v_prior = self.kl_v_prior(log_ligand_v0, batch_ligand)
+ return kl_pos_prior, kl_v_prior
+
+ # perturb pos and v
+ a = self.alphas_cumprod.index_select(0, time_step) # (num_graphs, )
+ a_pos = a[batch_ligand].unsqueeze(-1) # (num_ligand_atoms, 1)
+ pos_noise = torch.zeros_like(ligand_pos)
+ pos_noise.normal_()
+ # Xt = a.sqrt() * X0 + (1-a).sqrt() * eps
+ ligand_pos_perturbed = a_pos.sqrt() * ligand_pos + (1.0 - a_pos).sqrt() * pos_noise # pos_noise * std
+ # Vt = a * V0 + (1-a) / K
+ log_ligand_v0 = index_to_log_onehot(ligand_v, self.num_classes)
+ ligand_v_perturbed, log_ligand_vt = self.q_v_sample(log_ligand_v0, time_step, batch_ligand)
+
+ preds = self(
+ protein_pos=protein_pos,
+ protein_v=protein_v,
+ batch_protein=batch_protein,
+
+ init_ligand_pos=ligand_pos_perturbed,
+ init_ligand_v=ligand_v_perturbed,
+ batch_ligand=batch_ligand,
+ time_step=time_step
+ )
+
+ pred_ligand_pos, pred_ligand_v = preds['pred_ligand_pos'], preds['pred_ligand_v']
+ if self.model_mean_type == 'C0':
+ pos_model_mean = self.q_pos_posterior(
+ x0=pred_ligand_pos, xt=ligand_pos_perturbed, t=time_step, batch=batch_ligand)
+ else:
+ raise ValueError
+
+ # atom type
+ log_ligand_v_recon = F.log_softmax(pred_ligand_v, dim=-1)
+ log_v_model_prob = self.q_v_posterior(log_ligand_v_recon, log_ligand_vt, time_step, batch_ligand)
+ log_v_true_prob = self.q_v_posterior(log_ligand_v0, log_ligand_vt, time_step, batch_ligand)
+
+ # t = [T-1, ... , 0]
+ kl_pos = self.compute_pos_Lt(pos_model_mean=pos_model_mean, x0=ligand_pos,
+ xt=ligand_pos_perturbed, t=time_step, batch=batch_ligand)
+ kl_v = self.compute_v_Lt(log_v_model_prob=log_v_model_prob, log_v0=log_ligand_v0,
+ log_v_true_prob=log_v_true_prob, t=time_step, batch=batch_ligand)
+ return kl_pos, kl_v
+
+ @torch.no_grad()
+ def fetch_embedding(self, protein_pos, protein_v, batch_protein, ligand_pos, ligand_v, batch_ligand):
+ preds = self(
+ protein_pos=protein_pos,
+ protein_v=protein_v,
+ batch_protein=batch_protein,
+
+ init_ligand_pos=ligand_pos,
+ init_ligand_v=ligand_v,
+ batch_ligand=batch_ligand,
+ fix_x=True
+ )
+ return preds
+
+ @torch.no_grad()
+ def sample_diffusion(self, protein_pos, protein_v, batch_protein,
+ init_ligand_pos, init_ligand_v, batch_ligand,
+ num_steps=None, center_pos_mode=None, pos_only=False):
+
+ if num_steps is None:
+ num_steps = self.num_timesteps
+ num_graphs = batch_protein.max().item() + 1
+
+ protein_pos, init_ligand_pos, offset = center_pos(
+ protein_pos, init_ligand_pos, batch_protein, batch_ligand, mode=center_pos_mode)
+
+ pos_traj, v_traj = [], []
+ v0_pred_traj, vt_pred_traj = [], []
+ ligand_pos, ligand_v = init_ligand_pos, init_ligand_v
+ # time sequence
+ time_seq = list(reversed(range(self.num_timesteps - num_steps, self.num_timesteps)))
+ for i in tqdm(time_seq, desc='sampling', total=len(time_seq)):
+ t = torch.full(size=(num_graphs,), fill_value=i, dtype=torch.long, device=protein_pos.device)
+ preds = self(
+ protein_pos=protein_pos,
+ protein_v=protein_v,
+ batch_protein=batch_protein,
+
+ init_ligand_pos=ligand_pos,
+ init_ligand_v=ligand_v,
+ batch_ligand=batch_ligand,
+ time_step=t
+ )
+ # Compute posterior mean and variance
+ if self.model_mean_type == 'noise':
+ pred_pos_noise = preds['pred_ligand_pos'] - ligand_pos
+ pos0_from_e = self._predict_x0_from_eps(xt=ligand_pos, eps=pred_pos_noise, t=t, batch=batch_ligand)
+ v0_from_e = preds['pred_ligand_v']
+ elif self.model_mean_type == 'C0':
+ pos0_from_e = preds['pred_ligand_pos']
+ v0_from_e = preds['pred_ligand_v']
+ else:
+ raise ValueError
+
+ pos_model_mean = self.q_pos_posterior(x0=pos0_from_e, xt=ligand_pos, t=t, batch=batch_ligand)
+ pos_log_variance = extract(self.posterior_logvar, t, batch_ligand)
+ # no noise when t == 0
+ nonzero_mask = (1 - (t == 0).float())[batch_ligand].unsqueeze(-1)
+ ligand_pos_next = pos_model_mean + nonzero_mask * (0.5 * pos_log_variance).exp() * torch.randn_like(
+ ligand_pos)
+ ligand_pos = ligand_pos_next
+
+ if not pos_only:
+ log_ligand_v_recon = F.log_softmax(v0_from_e, dim=-1)
+ log_ligand_v = index_to_log_onehot(ligand_v, self.num_classes)
+ log_model_prob = self.q_v_posterior(log_ligand_v_recon, log_ligand_v, t, batch_ligand)
+ ligand_v_next = log_sample_categorical(log_model_prob)
+
+ v0_pred_traj.append(log_ligand_v_recon.clone().cpu())
+ vt_pred_traj.append(log_model_prob.clone().cpu())
+ ligand_v = ligand_v_next
+
+ ori_ligand_pos = ligand_pos + offset[batch_ligand]
+ pos_traj.append(ori_ligand_pos.clone().cpu())
+ v_traj.append(ligand_v.clone().cpu())
+
+ ligand_pos = ligand_pos + offset[batch_ligand]
+ return {
+ 'pos': ligand_pos,
+ 'v': ligand_v,
+ 'pos_traj': pos_traj,
+ 'v_traj': v_traj,
+ 'v0_traj': v0_pred_traj,
+ 'vt_traj': vt_pred_traj
+ }
+
+
+def extract(coef, t, batch):
+ out = coef[t][batch]
+ return out.unsqueeze(-1)
diff --git a/models/property_pred/__init__.py b/models/property_pred/__init__.py
new file mode 100644
index 0000000000000000000000000000000000000000..3838326f80da3f2ee39f7ac1d379855cc5537a80
--- /dev/null
+++ b/models/property_pred/__init__.py
@@ -0,0 +1,2 @@
+"""TargetDiff property prediction models."""
+
diff --git a/models/property_pred/__pycache__/__init__.cpython-311.pyc b/models/property_pred/__pycache__/__init__.cpython-311.pyc
new file mode 100644
index 0000000000000000000000000000000000000000..15c5f8dfa46941daa4b9d048b8c2e025df795607
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diff --git a/models/property_pred/__pycache__/prop_egnn.cpython-311.pyc b/models/property_pred/__pycache__/prop_egnn.cpython-311.pyc
new file mode 100644
index 0000000000000000000000000000000000000000..12d32a4b2c6282f6bec2268d8eb93626ad8ce95a
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diff --git a/models/property_pred/__pycache__/prop_model.cpython-311.pyc b/models/property_pred/__pycache__/prop_model.cpython-311.pyc
new file mode 100644
index 0000000000000000000000000000000000000000..392a4aa2efe32074c59756e9af0d0d8a3268546f
Binary files /dev/null and b/models/property_pred/__pycache__/prop_model.cpython-311.pyc differ
diff --git a/models/property_pred/prop_egnn.py b/models/property_pred/prop_egnn.py
new file mode 100644
index 0000000000000000000000000000000000000000..23bf4e0ca09b2f37567428f5be21ab28b535b194
--- /dev/null
+++ b/models/property_pred/prop_egnn.py
@@ -0,0 +1,83 @@
+import torch
+import torch.nn as nn
+from torch_scatter import scatter_sum
+from torch_geometric.nn import radius_graph, knn_graph
+from ..common import GaussianSmearing, MLP
+
+
+class EnBaseLayer(nn.Module):
+ def __init__(self, hidden_dim, edge_feat_dim, num_r_gaussian, update_x=True, act_fn='relu', norm=False):
+ super().__init__()
+ self.r_min = 0.
+ self.r_max = 10. ** 2
+ self.hidden_dim = hidden_dim
+ self.num_r_gaussian = num_r_gaussian
+ self.edge_feat_dim = edge_feat_dim
+ self.update_x = update_x
+ self.act_fn = act_fn
+ self.norm = norm
+ if num_r_gaussian > 1:
+ self.r_expansion = GaussianSmearing(self.r_min, self.r_max, num_gaussians=num_r_gaussian, fixed_offset=False)
+ self.edge_mlp = MLP(2 * hidden_dim + edge_feat_dim + num_r_gaussian, hidden_dim, hidden_dim,
+ num_layer=2, norm=norm, act_fn=act_fn, act_last=True)
+ self.edge_inf = nn.Sequential(nn.Linear(hidden_dim, 1), nn.Sigmoid())
+ if self.update_x:
+ self.x_mlp = MLP(hidden_dim, 1, hidden_dim, num_layer=2, norm=norm, act_fn=act_fn)
+ self.node_mlp = MLP(2 * hidden_dim, hidden_dim, hidden_dim, num_layer=2, norm=norm, act_fn=act_fn)
+
+ def forward(self, h, edge_index, edge_attr):
+ dst, src = edge_index
+ hi, hj = h[dst], h[src]
+ # \phi_e in Eq(3)
+ mij = self.edge_mlp(torch.cat([edge_attr, hi, hj], -1))
+ eij = self.edge_inf(mij)
+ mi = scatter_sum(mij * eij, dst, dim=0, dim_size=h.shape[0])
+
+ # h update in Eq(6)
+ # h = h + self.node_mlp(torch.cat([mi, h], -1))
+ output = self.node_mlp(torch.cat([mi, h], -1))
+ # if self.update_x:
+ # # x update in Eq(4)
+ # xi, xj = x[dst], x[src]
+ # delta_x = scatter_sum((xi - xj) * self.x_mlp(mij), dst, dim=0)
+ # x = x + delta_x
+
+ return output
+
+
+class EnEquiEncoder(nn.Module):
+ def __init__(self, num_layers, hidden_dim, edge_feat_dim, num_r_gaussian, k=32, cutoff=10.0,
+ update_x=True, act_fn='relu', norm=False):
+ super().__init__()
+ # Build the network
+ self.num_layers = num_layers
+ self.hidden_dim = hidden_dim
+ self.edge_feat_dim = edge_feat_dim
+ self.num_r_gaussian = num_r_gaussian
+ self.update_x = update_x
+ self.act_fn = act_fn
+ self.norm = norm
+ self.k = k
+ self.cutoff = cutoff
+ self.distance_expansion = GaussianSmearing(stop=cutoff, num_gaussians=num_r_gaussian, fixed_offset=False)
+ self.net = self._build_network()
+
+ def _build_network(self):
+ # Equivariant layers
+ layers = []
+ for l_idx in range(self.num_layers):
+ layer = EnBaseLayer(self.hidden_dim, self.edge_feat_dim, self.num_r_gaussian,
+ update_x=self.update_x, act_fn=self.act_fn, norm=self.norm)
+ layers.append(layer)
+ return nn.ModuleList(layers)
+
+ def forward(self, node_attr, pos, batch):
+ # edge_index = radius_graph(pos, self.cutoff, batch=batch, loop=False)
+ edge_index = knn_graph(pos, k=self.k, batch=batch, flow='target_to_source')
+ edge_length = torch.norm(pos[edge_index[0]] - pos[edge_index[1]], dim=1)
+ edge_attr = self.distance_expansion(edge_length)
+
+ h = node_attr
+ for interaction in self.net:
+ h = h + interaction(h, edge_index, edge_attr)
+ return h
diff --git a/models/property_pred/prop_model.py b/models/property_pred/prop_model.py
new file mode 100644
index 0000000000000000000000000000000000000000..4875a9a1fb2bf89c1c795b6ef66762966265d0f4
--- /dev/null
+++ b/models/property_pred/prop_model.py
@@ -0,0 +1,212 @@
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+from torch_scatter import scatter
+
+from .prop_egnn import EnEquiEncoder
+from ..common import compose_context_prop, ShiftedSoftplus
+
+
+def get_encoder(config):
+ if config.name == 'egnn' or config.name == 'egnn_enc':
+ net = EnEquiEncoder(
+ num_layers=config.num_layers,
+ edge_feat_dim=config.edge_dim,
+ hidden_dim=config.hidden_dim,
+ num_r_gaussian=config.num_r_gaussian,
+ act_fn=config.act_fn,
+ norm=config.norm,
+ update_x=False,
+ k=config.knn,
+ cutoff=config.cutoff,
+ )
+ else:
+ raise ValueError(config.name)
+ return net
+
+
+class PropPredNet(nn.Module):
+ def __init__(self, config, protein_atom_feature_dim, ligand_atom_feature_dim, output_dim=3):
+ super(PropPredNet, self).__init__()
+ self.config = config
+ self.hidden_dim = config.hidden_channels
+ self.output_dim = output_dim
+ self.protein_atom_emb = nn.Linear(protein_atom_feature_dim, self.hidden_dim)
+ self.ligand_atom_emb = nn.Linear(ligand_atom_feature_dim, self.hidden_dim)
+
+ # self.mean = target_mean
+ # self.std = target_std
+ # self.register_buffer('target_mean', target_mean)
+ # self.register_buffer('target_std', target_std)
+ self.encoder = get_encoder(config.encoder)
+ self.out_block = nn.Sequential(
+ nn.Linear(self.hidden_dim, self.hidden_dim),
+ ShiftedSoftplus(),
+ nn.Linear(self.hidden_dim, output_dim),
+ )
+
+ def forward(self, protein_pos, protein_atom_feature, ligand_pos, ligand_atom_feature, batch_protein, batch_ligand,
+ output_kind):
+ h_protein = self.protein_atom_emb(protein_atom_feature)
+ h_ligand = self.ligand_atom_emb(ligand_atom_feature)
+
+ h_ctx, pos_ctx, batch_ctx = compose_context_prop(
+ h_protein=h_protein,
+ h_ligand=h_ligand,
+ pos_protein=protein_pos,
+ pos_ligand=ligand_pos,
+ batch_protein=batch_protein,
+ batch_ligand=batch_ligand,
+ )
+
+ h_ctx = self.encoder(
+ node_attr=h_ctx,
+ pos=pos_ctx,
+ batch=batch_ctx,
+ ) # (N_p+N_l, H)
+
+ # Aggregate messages
+ pre_out = scatter(h_ctx, index=batch_ctx, dim=0, reduce='sum') # (N, F)
+ output = self.out_block(pre_out) # (N, C)
+ if output_kind is not None:
+ output_mask = F.one_hot(output_kind - 1, self.output_dim)
+ output = torch.sum(output * output_mask, dim=-1, keepdim=True)
+ return output
+
+ def get_loss(self, batch, pos_noise_std, return_pred=False):
+ protein_noise = torch.randn_like(batch.protein_pos) * pos_noise_std
+ ligand_noise = torch.randn_like(batch.ligand_pos) * pos_noise_std
+ pred = self(
+ protein_pos=batch.protein_pos + protein_noise,
+ protein_atom_feature=batch.protein_atom_feature.float(),
+ ligand_pos=batch.ligand_pos + ligand_noise,
+ ligand_atom_feature=batch.ligand_atom_feature_full.float(),
+ batch_protein=batch.protein_element_batch,
+ batch_ligand=batch.ligand_element_batch,
+ output_kind=batch.kind,
+ # output_kind=None
+ )
+ # pred = pred * y_std + y_mean
+ loss_func = nn.MSELoss()
+ loss = loss_func(pred.view(-1), batch.y)
+ if return_pred:
+ return loss, pred
+ else:
+ return loss
+
+
+class PropPredNetEnc(nn.Module):
+ def __init__(self, config, protein_atom_feature_dim, ligand_atom_feature_dim,
+ enc_ligand_dim, enc_node_dim, enc_graph_dim, enc_feature_type=None, output_dim=1):
+ super(PropPredNetEnc, self).__init__()
+ self.config = config
+ self.hidden_dim = config.hidden_channels
+ self.output_dim = output_dim
+ self.enc_ligand_dim = enc_ligand_dim
+ self.enc_node_dim = enc_node_dim
+ self.enc_graph_dim = enc_graph_dim
+ self.enc_feature_type = enc_feature_type
+
+ self.protein_atom_emb = nn.Linear(protein_atom_feature_dim, self.hidden_dim)
+ self.ligand_atom_emb = nn.Linear(ligand_atom_feature_dim + enc_ligand_dim, self.hidden_dim)
+ # self.mean = target_mean
+ # self.std = target_std
+ # self.register_buffer('target_mean', target_mean)
+ # self.register_buffer('target_std', target_std)
+ self.encoder = get_encoder(config.encoder)
+ if self.enc_node_dim > 0:
+ self.enc_node_layer = nn.Sequential(
+ nn.Linear(self.hidden_dim + self.enc_node_dim, self.hidden_dim),
+ nn.ReLU(),
+ nn.Linear(self.hidden_dim, self.hidden_dim),
+ )
+
+ self.out_block = nn.Sequential(
+ nn.Linear(self.hidden_dim + self.enc_graph_dim, self.hidden_dim),
+ ShiftedSoftplus(),
+ nn.Linear(self.hidden_dim, output_dim),
+ )
+
+ def forward(self, protein_pos, protein_atom_feature, ligand_pos, ligand_atom_feature, batch_protein, batch_ligand,
+ output_kind, enc_ligand_feature, enc_node_feature, enc_graph_feature):
+ h_protein = self.protein_atom_emb(protein_atom_feature)
+ if enc_ligand_feature is not None:
+ ligand_atom_feature = torch.cat([ligand_atom_feature, enc_ligand_feature], dim=-1)
+ h_ligand = self.ligand_atom_emb(ligand_atom_feature)
+
+ h_ctx, pos_ctx, batch_ctx = compose_context_prop(
+ h_protein=h_protein,
+ h_ligand=h_ligand,
+ pos_protein=protein_pos,
+ pos_ligand=ligand_pos,
+ batch_protein=batch_protein,
+ batch_ligand=batch_ligand,
+ )
+
+ h_ctx = self.encoder(
+ node_attr=h_ctx,
+ pos=pos_ctx,
+ batch=batch_ctx,
+ ) # (N_p+N_l, H)
+
+ if enc_node_feature is not None:
+ h_ctx = torch.cat([h_ctx, enc_node_feature], dim=-1)
+ h_ctx = self.enc_node_layer(h_ctx)
+
+ # Aggregate messages
+ pre_out = scatter(h_ctx, index=batch_ctx, dim=0, reduce='sum') # (N, F)
+ if enc_graph_feature is not None:
+ pre_out = torch.cat([pre_out, enc_graph_feature], dim=-1)
+
+ output = self.out_block(pre_out) # (N, C)
+ if output_kind is not None:
+ output_mask = F.one_hot(output_kind - 1, self.output_dim)
+ output = torch.sum(output * output_mask, dim=-1, keepdim=True)
+ return output
+
+ def get_loss(self, batch, pos_noise_std, return_pred=False):
+ protein_noise = torch.randn_like(batch.protein_pos) * pos_noise_std
+ ligand_noise = torch.randn_like(batch.ligand_pos) * pos_noise_std
+
+ # add features
+ enc_ligand_feature, enc_node_feature, enc_graph_feature = None, None, None
+ if self.enc_feature_type == 'nll_all':
+ enc_graph_feature = batch.nll_all # [num_graphs, 22]
+ elif self.enc_feature_type == 'nll':
+ enc_graph_feature = batch.nll # [num_graphs, 20]
+ elif self.enc_feature_type == 'final_h':
+ enc_node_feature = batch.final_h # [num_pl_atoms, 128]
+ elif self.enc_feature_type == 'pred_ligand_v':
+ enc_ligand_feature = batch.pred_ligand_v # [num_l_atoms, 13]
+ elif self.enc_feature_type == 'pred_v_entropy_pre':
+ enc_ligand_feature = batch.pred_v_entropy # [num_l_atoms, 1]
+ elif self.enc_feature_type == 'pred_v_entropy_post':
+ enc_graph_feature = scatter(batch.pred_v_entropy, index=batch.ligand_element_batch, dim=0, reduce='sum') # [num_graphs, 1]
+ elif self.enc_feature_type == 'full':
+ enc_graph_feature = torch.cat(
+ [batch.nll_all, scatter(batch.pred_v_entropy, index=batch.ligand_element_batch, dim=0, reduce='sum')], dim=-1)
+ enc_node_feature = batch.final_h
+ enc_ligand_feature = torch.cat([batch.pred_ligand_v, batch.pred_v_entropy], -1)
+ else:
+ raise NotImplementedError
+
+ pred = self(
+ protein_pos=batch.protein_pos + protein_noise,
+ protein_atom_feature=batch.protein_atom_feature.float(),
+ ligand_pos=batch.ligand_pos + ligand_noise,
+ ligand_atom_feature=batch.ligand_atom_feature_full.float(),
+ batch_protein=batch.protein_element_batch,
+ batch_ligand=batch.ligand_element_batch,
+ output_kind=batch.kind,
+ # output_kind=None,
+ enc_ligand_feature=enc_ligand_feature,
+ enc_node_feature=enc_node_feature,
+ enc_graph_feature=enc_graph_feature
+ )
+ # pred = pred * y_std + y_mean
+ loss_func = nn.MSELoss()
+ loss = loss_func(pred.view(-1), batch.y)
+ if return_pred:
+ return loss, pred
+ else:
+ return loss
diff --git a/models/uni_transformer.py b/models/uni_transformer.py
new file mode 100644
index 0000000000000000000000000000000000000000..ffdbfa122e87020320c27130183e21d411ca696d
--- /dev/null
+++ b/models/uni_transformer.py
@@ -0,0 +1,328 @@
+import numpy as np
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+from torch_geometric.nn import radius_graph, knn_graph
+from torch_scatter import scatter_softmax, scatter_sum
+
+from .common import GaussianSmearing, MLP, batch_hybrid_edge_connection, outer_product
+
+
+class BaseX2HAttLayer(nn.Module):
+ def __init__(self, input_dim, hidden_dim, output_dim, n_heads, edge_feat_dim, r_feat_dim,
+ act_fn='relu', norm=True, ew_net_type='r', out_fc=True):
+ super().__init__()
+ self.input_dim = input_dim
+ self.hidden_dim = hidden_dim
+ self.output_dim = output_dim
+ self.n_heads = n_heads
+ self.act_fn = act_fn
+ self.edge_feat_dim = edge_feat_dim
+ self.r_feat_dim = r_feat_dim
+ self.ew_net_type = ew_net_type
+ self.out_fc = out_fc
+
+ # attention key func
+ kv_input_dim = input_dim * 2 + edge_feat_dim + r_feat_dim
+ self.hk_func = MLP(kv_input_dim, output_dim, hidden_dim, norm=norm, act_fn=act_fn)
+
+ # attention value func
+ self.hv_func = MLP(kv_input_dim, output_dim, hidden_dim, norm=norm, act_fn=act_fn)
+
+ # attention query func
+ self.hq_func = MLP(input_dim, output_dim, hidden_dim, norm=norm, act_fn=act_fn)
+ if ew_net_type == 'r':
+ self.ew_net = nn.Sequential(nn.Linear(r_feat_dim, 1), nn.Sigmoid())
+ elif ew_net_type == 'm':
+ self.ew_net = nn.Sequential(nn.Linear(output_dim, 1), nn.Sigmoid())
+
+ if self.out_fc:
+ self.node_output = MLP(2 * hidden_dim, hidden_dim, hidden_dim, norm=norm, act_fn=act_fn)
+
+ def forward(self, h, r_feat, edge_feat, edge_index, e_w=None):
+ N = h.size(0)
+ src, dst = edge_index
+ hi, hj = h[dst], h[src]
+
+ # multi-head attention
+ # decide inputs of k_func and v_func
+ kv_input = torch.cat([r_feat, hi, hj], -1)
+ if edge_feat is not None:
+ kv_input = torch.cat([edge_feat, kv_input], -1)
+
+ # compute k
+ k = self.hk_func(kv_input).view(-1, self.n_heads, self.output_dim // self.n_heads)
+ # compute v
+ v = self.hv_func(kv_input)
+
+ if self.ew_net_type == 'r':
+ e_w = self.ew_net(r_feat)
+ elif self.ew_net_type == 'm':
+ e_w = self.ew_net(v[..., :self.hidden_dim])
+ elif e_w is not None:
+ e_w = e_w.view(-1, 1)
+ else:
+ e_w = 1.
+ v = v * e_w
+ v = v.view(-1, self.n_heads, self.output_dim // self.n_heads)
+
+ # compute q
+ q = self.hq_func(h).view(-1, self.n_heads, self.output_dim // self.n_heads)
+
+ # compute attention weights
+ alpha = scatter_softmax((q[dst] * k / np.sqrt(k.shape[-1])).sum(-1), dst, dim=0,
+ dim_size=N) # [num_edges, n_heads]
+
+ # perform attention-weighted message-passing
+ m = alpha.unsqueeze(-1) * v # (E, heads, H_per_head)
+ output = scatter_sum(m, dst, dim=0, dim_size=N) # (N, heads, H_per_head)
+ output = output.view(-1, self.output_dim)
+ if self.out_fc:
+ output = self.node_output(torch.cat([output, h], -1))
+
+ output = output + h
+ return output
+
+
+class BaseH2XAttLayer(nn.Module):
+ def __init__(self, input_dim, hidden_dim, output_dim, n_heads, edge_feat_dim, r_feat_dim,
+ act_fn='relu', norm=True, ew_net_type='r'):
+ super().__init__()
+ self.input_dim = input_dim
+ self.hidden_dim = hidden_dim
+ self.output_dim = output_dim
+ self.n_heads = n_heads
+ self.edge_feat_dim = edge_feat_dim
+ self.r_feat_dim = r_feat_dim
+ self.act_fn = act_fn
+ self.ew_net_type = ew_net_type
+
+ kv_input_dim = input_dim * 2 + edge_feat_dim + r_feat_dim
+
+ self.xk_func = MLP(kv_input_dim, output_dim, hidden_dim, norm=norm, act_fn=act_fn)
+ self.xv_func = MLP(kv_input_dim, self.n_heads, hidden_dim, norm=norm, act_fn=act_fn)
+ self.xq_func = MLP(input_dim, output_dim, hidden_dim, norm=norm, act_fn=act_fn)
+ if ew_net_type == 'r':
+ self.ew_net = nn.Sequential(nn.Linear(r_feat_dim, 1), nn.Sigmoid())
+
+ def forward(self, h, rel_x, r_feat, edge_feat, edge_index, e_w=None):
+ N = h.size(0)
+ src, dst = edge_index
+ hi, hj = h[dst], h[src]
+
+ # multi-head attention
+ # decide inputs of k_func and v_func
+ kv_input = torch.cat([r_feat, hi, hj], -1)
+ if edge_feat is not None:
+ kv_input = torch.cat([edge_feat, kv_input], -1)
+
+ k = self.xk_func(kv_input).view(-1, self.n_heads, self.output_dim // self.n_heads)
+ v = self.xv_func(kv_input)
+ if self.ew_net_type == 'r':
+ e_w = self.ew_net(r_feat)
+ elif self.ew_net_type == 'm':
+ e_w = 1.
+ elif e_w is not None:
+ e_w = e_w.view(-1, 1)
+ else:
+ e_w = 1.
+ v = v * e_w
+
+ v = v.unsqueeze(-1) * rel_x.unsqueeze(1) # (xi - xj) [n_edges, n_heads, 3]
+ q = self.xq_func(h).view(-1, self.n_heads, self.output_dim // self.n_heads)
+
+ # Compute attention weights
+ alpha = scatter_softmax((q[dst] * k / np.sqrt(k.shape[-1])).sum(-1), dst, dim=0, dim_size=N) # (E, heads)
+
+ # Perform attention-weighted message-passing
+ m = alpha.unsqueeze(-1) * v # (E, heads, 3)
+ output = scatter_sum(m, dst, dim=0, dim_size=N) # (N, heads, 3)
+ return output.mean(1) # [num_nodes, 3]
+
+
+class AttentionLayerO2TwoUpdateNodeGeneral(nn.Module):
+ def __init__(self, hidden_dim, n_heads, num_r_gaussian, edge_feat_dim, act_fn='relu', norm=True,
+ num_x2h=1, num_h2x=1, r_min=0., r_max=10., num_node_types=8,
+ ew_net_type='r', x2h_out_fc=True, sync_twoup=False):
+ super().__init__()
+ self.hidden_dim = hidden_dim
+ self.n_heads = n_heads
+ self.edge_feat_dim = edge_feat_dim
+ self.num_r_gaussian = num_r_gaussian
+ self.norm = norm
+ self.act_fn = act_fn
+ self.num_x2h = num_x2h
+ self.num_h2x = num_h2x
+ self.r_min, self.r_max = r_min, r_max
+ self.num_node_types = num_node_types
+ self.ew_net_type = ew_net_type
+ self.x2h_out_fc = x2h_out_fc
+ self.sync_twoup = sync_twoup
+
+ self.distance_expansion = GaussianSmearing(self.r_min, self.r_max, num_gaussians=num_r_gaussian)
+
+ self.x2h_layers = nn.ModuleList()
+ for i in range(self.num_x2h):
+ self.x2h_layers.append(
+ BaseX2HAttLayer(hidden_dim, hidden_dim, hidden_dim, n_heads, edge_feat_dim,
+ r_feat_dim=num_r_gaussian * 4,
+ act_fn=act_fn, norm=norm,
+ ew_net_type=self.ew_net_type, out_fc=self.x2h_out_fc)
+ )
+ self.h2x_layers = nn.ModuleList()
+ for i in range(self.num_h2x):
+ self.h2x_layers.append(
+ BaseH2XAttLayer(hidden_dim, hidden_dim, hidden_dim, n_heads, edge_feat_dim,
+ r_feat_dim=num_r_gaussian * 4,
+ act_fn=act_fn, norm=norm,
+ ew_net_type=self.ew_net_type)
+ )
+
+ def forward(self, h, x, edge_attr, edge_index, mask_ligand, e_w=None, fix_x=False):
+ src, dst = edge_index
+ if self.edge_feat_dim > 0:
+ edge_feat = edge_attr # shape: [#edges_in_batch, #bond_types]
+ else:
+ edge_feat = None
+
+ rel_x = x[dst] - x[src]
+ dist = torch.norm(rel_x, p=2, dim=-1, keepdim=True)
+
+ h_in = h
+ # 4 separate distance embedding for p-p, p-l, l-p, l-l
+ for i in range(self.num_x2h):
+ dist_feat = self.distance_expansion(dist)
+ dist_feat = outer_product(edge_attr, dist_feat)
+ h_out = self.x2h_layers[i](h_in, dist_feat, edge_feat, edge_index, e_w=e_w)
+ h_in = h_out
+ x2h_out = h_in
+
+ new_h = h if self.sync_twoup else x2h_out
+ for i in range(self.num_h2x):
+ dist_feat = self.distance_expansion(dist)
+ dist_feat = outer_product(edge_attr, dist_feat)
+ delta_x = self.h2x_layers[i](new_h, rel_x, dist_feat, edge_feat, edge_index, e_w=e_w)
+ if not fix_x:
+ x = x + delta_x * mask_ligand[:, None] # only ligand positions will be updated
+ rel_x = x[dst] - x[src]
+ dist = torch.norm(rel_x, p=2, dim=-1, keepdim=True)
+
+ return x2h_out, x
+
+
+class UniTransformerO2TwoUpdateGeneral(nn.Module):
+ def __init__(self, num_blocks, num_layers, hidden_dim, n_heads=1, k=32,
+ num_r_gaussian=50, edge_feat_dim=0, num_node_types=8, act_fn='relu', norm=True,
+ cutoff_mode='radius', ew_net_type='r',
+ num_init_x2h=1, num_init_h2x=0, num_x2h=1, num_h2x=1, r_max=10., x2h_out_fc=True, sync_twoup=False):
+ super().__init__()
+ # Build the network
+ self.num_blocks = num_blocks
+ self.num_layers = num_layers
+ self.hidden_dim = hidden_dim
+ self.n_heads = n_heads
+ self.num_r_gaussian = num_r_gaussian
+ self.edge_feat_dim = edge_feat_dim
+ self.act_fn = act_fn
+ self.norm = norm
+ self.num_node_types = num_node_types
+ # radius graph / knn graph
+ self.cutoff_mode = cutoff_mode # [radius, none]
+ self.k = k
+ self.ew_net_type = ew_net_type # [r, m, none]
+
+ self.num_x2h = num_x2h
+ self.num_h2x = num_h2x
+ self.num_init_x2h = num_init_x2h
+ self.num_init_h2x = num_init_h2x
+ self.r_max = r_max
+ self.x2h_out_fc = x2h_out_fc
+ self.sync_twoup = sync_twoup
+ self.distance_expansion = GaussianSmearing(0., r_max, num_gaussians=num_r_gaussian)
+ if self.ew_net_type == 'global':
+ self.edge_pred_layer = MLP(num_r_gaussian, 1, hidden_dim)
+
+ self.init_h_emb_layer = self._build_init_h_layer()
+ self.base_block = self._build_share_blocks()
+
+ def __repr__(self):
+ return f'UniTransformerO2(num_blocks={self.num_blocks}, num_layers={self.num_layers}, n_heads={self.n_heads}, ' \
+ f'act_fn={self.act_fn}, norm={self.norm}, cutoff_mode={self.cutoff_mode}, ew_net_type={self.ew_net_type}, ' \
+ f'init h emb: {self.init_h_emb_layer.__repr__()} \n' \
+ f'base block: {self.base_block.__repr__()} \n' \
+ f'edge pred layer: {self.edge_pred_layer.__repr__() if hasattr(self, "edge_pred_layer") else "None"}) '
+
+ def _build_init_h_layer(self):
+ layer = AttentionLayerO2TwoUpdateNodeGeneral(
+ self.hidden_dim, self.n_heads, self.num_r_gaussian, self.edge_feat_dim, act_fn=self.act_fn, norm=self.norm,
+ num_x2h=self.num_init_x2h, num_h2x=self.num_init_h2x, r_max=self.r_max, num_node_types=self.num_node_types,
+ ew_net_type=self.ew_net_type, x2h_out_fc=self.x2h_out_fc, sync_twoup=self.sync_twoup,
+ )
+ return layer
+
+ def _build_share_blocks(self):
+ # Equivariant layers
+ base_block = []
+ for l_idx in range(self.num_layers):
+ layer = AttentionLayerO2TwoUpdateNodeGeneral(
+ self.hidden_dim, self.n_heads, self.num_r_gaussian, self.edge_feat_dim, act_fn=self.act_fn,
+ norm=self.norm,
+ num_x2h=self.num_x2h, num_h2x=self.num_h2x, r_max=self.r_max, num_node_types=self.num_node_types,
+ ew_net_type=self.ew_net_type, x2h_out_fc=self.x2h_out_fc, sync_twoup=self.sync_twoup,
+ )
+ base_block.append(layer)
+ return nn.ModuleList(base_block)
+
+ def _connect_edge(self, x, mask_ligand, batch):
+ if self.cutoff_mode == 'radius':
+ edge_index = radius_graph(x, r=self.r, batch=batch, flow='source_to_target')
+ elif self.cutoff_mode == 'knn':
+ edge_index = knn_graph(x, k=self.k, batch=batch, flow='source_to_target')
+ elif self.cutoff_mode == 'hybrid':
+ edge_index = batch_hybrid_edge_connection(
+ x, k=self.k, mask_ligand=mask_ligand, batch=batch, add_p_index=True)
+ else:
+ raise ValueError(f'Not supported cutoff mode: {self.cutoff_mode}')
+ return edge_index
+
+ @staticmethod
+ def _build_edge_type(edge_index, mask_ligand):
+ src, dst = edge_index
+ edge_type = torch.zeros(len(src)).to(edge_index)
+ n_src = mask_ligand[src] == 1
+ n_dst = mask_ligand[dst] == 1
+ edge_type[n_src & n_dst] = 0
+ edge_type[n_src & ~n_dst] = 1
+ edge_type[~n_src & n_dst] = 2
+ edge_type[~n_src & ~n_dst] = 3
+ edge_type = F.one_hot(edge_type, num_classes=4)
+ return edge_type
+
+ def forward(self, h, x, mask_ligand, batch, return_all=False, fix_x=False):
+
+ all_x = [x]
+ all_h = [h]
+
+ for b_idx in range(self.num_blocks):
+ edge_index = self._connect_edge(x, mask_ligand, batch)
+ src, dst = edge_index
+
+ # edge type (dim: 4)
+ edge_type = self._build_edge_type(edge_index, mask_ligand)
+ if self.ew_net_type == 'global':
+ dist = torch.norm(x[dst] - x[src], p=2, dim=-1, keepdim=True)
+ dist_feat = self.distance_expansion(dist)
+ logits = self.edge_pred_layer(dist_feat)
+ e_w = torch.sigmoid(logits)
+ else:
+ e_w = None
+
+ for l_idx, layer in enumerate(self.base_block):
+ h, x = layer(h, x, edge_type, edge_index, mask_ligand, e_w=e_w, fix_x=fix_x)
+ all_x.append(x)
+ all_h.append(h)
+
+ outputs = {'x': x, 'h': h}
+ if return_all:
+ outputs.update({'all_x': all_x, 'all_h': all_h})
+ return outputs
diff --git a/scripts/__init__.py b/scripts/__init__.py
new file mode 100644
index 0000000000000000000000000000000000000000..c9759d63556ed632fe166c2d47b70a11760b0d59
--- /dev/null
+++ b/scripts/__init__.py
@@ -0,0 +1,2 @@
+"""TargetDiff example scripts."""
+
diff --git a/scripts/__pycache__/__init__.cpython-311.pyc b/scripts/__pycache__/__init__.cpython-311.pyc
new file mode 100644
index 0000000000000000000000000000000000000000..175e578f0d49d66df64a3731777ff3b2f15ea234
Binary files /dev/null and b/scripts/__pycache__/__init__.cpython-311.pyc differ
diff --git a/scripts/__pycache__/sample_diffusion.cpython-311.pyc b/scripts/__pycache__/sample_diffusion.cpython-311.pyc
new file mode 100644
index 0000000000000000000000000000000000000000..7faec45c40bb5af4d9ebc75151a0aaad5f480859
Binary files /dev/null and b/scripts/__pycache__/sample_diffusion.cpython-311.pyc differ
diff --git a/scripts/__pycache__/sample_for_pocket.cpython-311.pyc b/scripts/__pycache__/sample_for_pocket.cpython-311.pyc
new file mode 100644
index 0000000000000000000000000000000000000000..d7ba697101ef32583fc8656b6615990a2f24db7c
Binary files /dev/null and b/scripts/__pycache__/sample_for_pocket.cpython-311.pyc differ
diff --git a/scripts/batch_sample_diffusion.sh b/scripts/batch_sample_diffusion.sh
new file mode 100644
index 0000000000000000000000000000000000000000..8f354e3bc44e47cd4b742674162936826561cae9
--- /dev/null
+++ b/scripts/batch_sample_diffusion.sh
@@ -0,0 +1,21 @@
+TOTAL_TASKS=100
+BATCH_SIZE=50
+
+if [ $# != 5 ]; then
+ echo "Error: 5 arguments required."
+ exit 1
+fi
+
+CONFIG_FILE=$1
+RESULT_PATH=$2
+NODE_ALL=$3
+NODE_THIS=$4
+START_IDX=$5
+
+for ((i=$START_IDX;i<$TOTAL_TASKS;i++)); do
+ NODE_TARGET=$(($i % $NODE_ALL))
+ if [ $NODE_TARGET == $NODE_THIS ]; then
+ echo "Task ${i} assigned to this worker (${NODE_THIS})"
+ python -m scripts.sample_diffusion ${CONFIG_FILE} -i ${i} --batch_size ${BATCH_SIZE} --result_path ${RESULT_PATH}
+ fi
+done
diff --git a/scripts/data_preparation/__init__.py b/scripts/data_preparation/__init__.py
new file mode 100644
index 0000000000000000000000000000000000000000..17556fc640a9b00fa9f4656b0f35296aefa133c9
--- /dev/null
+++ b/scripts/data_preparation/__init__.py
@@ -0,0 +1,2 @@
+"""TargetDiff data preparation scripts."""
+
diff --git a/scripts/data_preparation/clean_crossdocked.py b/scripts/data_preparation/clean_crossdocked.py
new file mode 100644
index 0000000000000000000000000000000000000000..e51aeec0ce248bdd2043243d819957d6f2bcc318
--- /dev/null
+++ b/scripts/data_preparation/clean_crossdocked.py
@@ -0,0 +1,59 @@
+import os
+import shutil
+import gzip
+import pickle
+import argparse
+from tqdm.auto import tqdm
+
+TYPES_FILENAME = 'types/it2_tt_v1.1_completeset_train0.types' # 'types/it2_tt_completeset_train0.types'
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('--source', type=str, default='./data/CrossDocked2020')
+ parser.add_argument('--dest', type=str, required=True)
+ parser.add_argument('--rmsd_thr', type=float, default=1.0)
+ args = parser.parse_args()
+
+ os.makedirs(args.dest, exist_ok=False)
+ types_path = os.path.join(args.source, TYPES_FILENAME)
+
+ index = []
+ with open(types_path, 'r') as f:
+ for ln in tqdm(f.readlines()):
+ _, _, rmsd, protein_fn, ligand_fn, _ = ln.split()
+ rmsd = float(rmsd)
+ if rmsd > args.rmsd_thr:
+ continue
+
+ ligand_id = int(ligand_fn[ligand_fn.rfind('_')+1:ligand_fn.rfind('.')])
+
+ protein_fn = protein_fn[:protein_fn.rfind('_')] + '.pdb'
+ # For CrossDocked v1.0
+ # ligand_raw_fn = ligand_fn[:ligand_fn.rfind('_')] + '.sdf'
+ ligand_raw_fn = ligand_fn[:ligand_fn.rfind('_')] + '.sdf.gz'
+ protein_path = os.path.join(args.source, protein_fn)
+ ligand_raw_path = os.path.join(args.source, ligand_raw_fn)
+ if not (os.path.exists(protein_path) and os.path.exists(ligand_raw_path)):
+ continue
+
+ # For CrossDocked v1.0
+ # with open(ligand_raw_path, 'r') as f:
+ with gzip.open(ligand_raw_path, 'rt') as f:
+ ligand_sdf = f.read().split('$$$$\n')[ligand_id]
+ ligand_save_fn = ligand_fn[:ligand_fn.rfind('.')] + '.sdf' # include ligand id
+
+ protein_dest = os.path.join(args.dest, protein_fn)
+ ligand_dest = os.path.join(args.dest, ligand_save_fn)
+ os.makedirs(os.path.dirname(protein_dest), exist_ok=True)
+ os.makedirs(os.path.dirname(ligand_dest), exist_ok=True)
+ shutil.copyfile(protein_path, protein_dest)
+ with open(ligand_dest, 'w') as f:
+ f.write(ligand_sdf)
+
+ index.append((protein_fn, ligand_save_fn, rmsd))
+
+ index_path = os.path.join(args.dest, 'index.pkl')
+ with open(index_path, 'wb') as f:
+ pickle.dump(index, f)
+
+ print(f'Done processing {len(index)} protein-ligand pairs in total.\n Processed files in {args.dest}.')
diff --git a/scripts/data_preparation/extract_pockets.py b/scripts/data_preparation/extract_pockets.py
new file mode 100644
index 0000000000000000000000000000000000000000..34a655e82a32c979efe8a4f9ffc501bebd3e202c
--- /dev/null
+++ b/scripts/data_preparation/extract_pockets.py
@@ -0,0 +1,76 @@
+import os
+import argparse
+import multiprocessing as mp
+import pickle
+import shutil
+from functools import partial
+
+from tqdm.auto import tqdm
+
+from onescience.utils.targetdiff.data import PDBProtein, parse_sdf_file
+
+
+def load_item(item, path):
+ pdb_path = os.path.join(path, item[0])
+ sdf_path = os.path.join(path, item[1])
+ with open(pdb_path, 'r') as f:
+ pdb_block = f.read()
+ with open(sdf_path, 'r') as f:
+ sdf_block = f.read()
+ return pdb_block, sdf_block
+
+
+def process_item(item, args):
+ try:
+ pdb_block, sdf_block = load_item(item, args.source)
+ protein = PDBProtein(pdb_block)
+ # ligand = parse_sdf_block(sdf_block)
+ ligand = parse_sdf_file(os.path.join(args.source, item[1]))
+
+ pdb_block_pocket = protein.residues_to_pdb_block(
+ protein.query_residues_ligand(ligand, args.radius)
+ )
+
+ ligand_fn = item[1]
+ pocket_fn = ligand_fn[:-4] + '_pocket%d.pdb' % args.radius
+ ligand_dest = os.path.join(args.dest, ligand_fn)
+ pocket_dest = os.path.join(args.dest, pocket_fn)
+ os.makedirs(os.path.dirname(ligand_dest), exist_ok=True)
+
+ shutil.copyfile(
+ src=os.path.join(args.source, ligand_fn),
+ dst=os.path.join(args.dest, ligand_fn)
+ )
+ with open(pocket_dest, 'w') as f:
+ f.write(pdb_block_pocket)
+ return pocket_fn, ligand_fn, item[0], item[2] # item[0]: original protein filename; item[2]: rmsd.
+ except Exception:
+ print('Exception occurred.', item)
+ return None, item[1], item[0], item[2]
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('--source', type=str, default='./data/crossdocked_subset')
+ parser.add_argument('--dest', type=str, required=True)
+ parser.add_argument('--radius', type=int, default=10)
+ parser.add_argument('--num_workers', type=int, default=16)
+ args = parser.parse_args()
+
+ os.makedirs(args.dest, exist_ok=False)
+ with open(os.path.join(args.source, 'index.pkl'), 'rb') as f:
+ index = pickle.load(f)
+
+ pool = mp.Pool(args.num_workers)
+ index_pocket = []
+ for item_pocket in tqdm(pool.imap_unordered(partial(process_item, args=args), index), total=len(index)):
+ index_pocket.append(item_pocket)
+ # index_pocket = pool.map(partial(process_item, args=args), index)
+ pool.close()
+
+ index_path = os.path.join(args.dest, 'index.pkl')
+ with open(index_path, 'wb') as f:
+ pickle.dump(index_pocket, f)
+
+ print('Done. %d protein-ligand pairs in total.' % len(index))
+
\ No newline at end of file
diff --git a/scripts/data_preparation/split_pl_dataset.py b/scripts/data_preparation/split_pl_dataset.py
new file mode 100644
index 0000000000000000000000000000000000000000..622433e2f5f7a8a7cf40f6b5c498dc82f85234d6
--- /dev/null
+++ b/scripts/data_preparation/split_pl_dataset.py
@@ -0,0 +1,112 @@
+import os
+import argparse
+import random
+import torch
+from tqdm.auto import tqdm
+
+from torch.utils.data import Subset
+from onescience.datapipes.targetdiff.pl_pair_dataset import PocketLigandPairDataset
+
+
+def get_chain_name(fn):
+ return os.path.basename(fn)[:6]
+
+
+def get_pdb_name(fn):
+ return os.path.basename(fn)[:4]
+
+
+def get_unique_pockets(dataset, raw_id, used_pdb, num_pockets):
+ # only save first encountered id for unseen pdbs
+ unique_id = []
+ pdb_visited = set()
+ for idx in tqdm(raw_id, 'Filter'):
+ pdb_name = get_pdb_name(dataset[idx].ligand_filename)
+ if pdb_name not in used_pdb and pdb_name not in pdb_visited:
+ unique_id.append(idx)
+ pdb_visited.add(pdb_name)
+
+ print('Number of Pairs: %d' % len(unique_id))
+ print('Number of PDBs: %d' % len(pdb_visited))
+
+ random.Random(args.seed).shuffle(unique_id)
+ unique_id = unique_id[:num_pockets]
+ print('Number of selected: %d' % len(unique_id))
+ return unique_id, pdb_visited.union(used_pdb)
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('--path', type=str, default='./data/crossdocked_v1.1_rmsd1.0_pocket10')
+ parser.add_argument('--dest', type=str, default='./data/crossdocked_pocket10_pose_split.pt')
+ parser.add_argument('--fixed_split', type=str, default='./data/split_by_name.pt')
+ parser.add_argument('--train', type=int, default=100000)
+ parser.add_argument('--val', type=int, default=1000)
+ parser.add_argument('--test', type=int, default=20000)
+ parser.add_argument('--val_num_pockets', type=int, default=-1)
+ parser.add_argument('--test_num_pockets', type=int, default=100)
+ parser.add_argument('--seed', type=int, default=2021)
+ args = parser.parse_args()
+
+ dataset = PocketLigandPairDataset(args.path)
+ print('Load dataset successfully!')
+ if args.fixed_split:
+ fixed_split = torch.load(args.fixed_split)
+ print('Load fixed split successfully!')
+ name_id_dict = {}
+ for idx, data in enumerate(tqdm(dataset, desc='Indexing')):
+ name_id_dict[data.protein_filename + data.ligand_filename] = idx
+
+ selected_ids = {'train': [], 'test': []}
+ for split in ['train', 'test']:
+ print(f'Selecting {split} split...')
+ for fn in fixed_split[split]:
+ if (fn[0] + fn[1]) in name_id_dict:
+ selected_ids[split].append(name_id_dict[fn[0] + fn[1]])
+ else:
+ print(f'Warning: data with PDB fn {fn[0]} and ligand fn {fn[1]} not found!')
+ train_id, val_id, test_id = selected_ids['train'], [], selected_ids['test']
+
+ else:
+ allowed_elements = {1, 6, 7, 8, 9, 15, 16, 17}
+ elements = {i: set() for i in range(90)}
+ for i, data in enumerate(tqdm(dataset, desc='Filter')):
+ for e in data.ligand_element:
+ elements[e.item()].add(i)
+
+ all_id = set(range(len(dataset)))
+ blocked_id = set().union(*[
+ elements[i] for i in elements.keys() if i not in allowed_elements
+ ])
+
+ allowed_id = list(all_id - blocked_id)
+ random.Random(args.seed).shuffle(allowed_id)
+ print('Allowed: %d' % len(allowed_id))
+
+ train_id = allowed_id[:args.train]
+ train_set = Subset(dataset, indices=train_id)
+ train_pdb = {get_pdb_name(d.ligand_filename) for d in tqdm(train_set)}
+ print('train pdb: ', train_pdb)
+
+ if args.val_num_pockets == -1:
+ # not group by pocket
+ val_id = allowed_id[args.train: args.train + args.val]
+ used_pdb = train_pdb
+ else:
+ raw_val_id = allowed_id[args.train: args.train + args.val]
+ val_id, used_pdb = get_unique_pockets(dataset, raw_val_id, train_pdb, args.val_num_pockets)
+
+ if args.test_num_pockets == -1:
+ test_id = allowed_id[args.train + args.val: args.train + args.val + args.test]
+ else:
+ raw_test_id = allowed_id[args.train + args.val: args.train + args.val + args.test]
+ test_id, used_pdb = get_unique_pockets(dataset, raw_test_id, used_pdb, args.test_num_pockets)
+
+ torch.save({
+ 'train': train_id,
+ 'val': val_id,
+ 'test': test_id,
+ }, args.dest)
+
+ print('Train %d, Validation %d, Test %d.' % (len(train_id), len(val_id), len(test_id)))
+ print('Done.')
diff --git a/scripts/dock_baseline.py b/scripts/dock_baseline.py
new file mode 100644
index 0000000000000000000000000000000000000000..0e0cd6d481b6ed60c3990ca554452fcbb2aaf1b9
--- /dev/null
+++ b/scripts/dock_baseline.py
@@ -0,0 +1,59 @@
+import argparse
+import os
+import torch
+from tqdm.auto import tqdm
+from onescience.utils.targetdiff.evaluation.docking_qvina import QVinaDockingTask
+from onescience.utils.targetdiff.evaluation.docking_vina import VinaDockingTask
+import multiprocessing as mp
+
+
+def dock_pocket_samples(pocket_samples):
+ ligand_fn = pocket_samples[0]['ligand_filename']
+ print('Start docking pocket: %s' % ligand_fn)
+ pocket_results = []
+ for idx, s in enumerate(tqdm(pocket_samples, desc='docking %d' % os.getpid())):
+ try:
+ if args.docking_mode == 'qvina':
+ vina_task = QVinaDockingTask.from_generated_mol(
+ s['mol'], s['ligand_filename'], protein_root=args.protein_root, size_factor=args.dock_size_factor)
+ vina_results = vina_task.run_sync()
+ elif args.docking_mode == 'vina_score':
+ vina_task = VinaDockingTask.from_generated_mol(
+ s['mol'], s['ligand_filename'], protein_root=args.protein_root)
+ score_only_results = vina_task.run(mode='score_only', exhaustiveness=args.exhaustiveness)
+ minimize_results = vina_task.run(mode='minimize', exhaustiveness=args.exhaustiveness)
+ vina_results = {
+ 'score_only': score_only_results,
+ 'minimize': minimize_results
+ }
+ else:
+ raise ValueError
+ except:
+ print('Error at %d of %s' % (idx, ligand_fn))
+ vina_results = None
+ pocket_results.append({**s, 'vina': vina_results})
+ return pocket_results
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('sample_path', type=str)
+ parser.add_argument('-o', '--out', type=str, default=None)
+ parser.add_argument('-n', '--num_processes', type=int, default=10)
+ parser.add_argument('--protein_root', type=str, default='./data/crossdocked_v1.1_rmsd1.0')
+ parser.add_argument('--dock_size_factor', type=float, default=None)
+ parser.add_argument('--exhaustiveness', type=int, default=16)
+ parser.add_argument('--docking_mode', type=str, default='vina_score',
+ choices=['none', 'qvina', 'vina_score'])
+ args = parser.parse_args()
+
+ samples = torch.load(args.sample_path)
+ with mp.Pool(args.num_processes) as p:
+ docked_samples = p.map(dock_pocket_samples, samples)
+ if args.out is None:
+ dir_name = os.path.dirname(args.sample_path)
+ baseline_name = os.path.basename(args.sample_path).split('_')[0]
+ out_path = os.path.join(dir_name, baseline_name + '_test_docked.pt')
+ else:
+ out_path = args.out
+ torch.save(docked_samples, out_path)
diff --git a/scripts/dock_testset.py b/scripts/dock_testset.py
new file mode 100644
index 0000000000000000000000000000000000000000..9fb08a018976eca4a158924519022ce0c2f26f13
--- /dev/null
+++ b/scripts/dock_testset.py
@@ -0,0 +1,76 @@
+import argparse
+import os
+
+from rdkit import Chem
+import torch
+from tqdm.auto import tqdm
+from onescience.utils.targetdiff import misc
+from onescience.utils.targetdiff.evaluation import scoring_func
+from onescience.utils.targetdiff.evaluation.docking_qvina import QVinaDockingTask
+from onescience.datapipes.targetdiff import get_dataset
+from easydict import EasyDict
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('-d', '--dataset', type=str, default='./data/crossdocked_v1.1_rmsd1.0_pocket10')
+ parser.add_argument('-s', '--split', type=str, default='./data/crossdocked_pocket10_pose_split.pt')
+ parser.add_argument('-o', '--out', type=str, default=None)
+ parser.add_argument('--protein_root', type=str, default='./data/crossdocked_v1.1_rmsd1.0')
+ parser.add_argument('--ligand_root', type=str, default='./data/crossdocked_v1.1_rmsd1.0_pocket10')
+ parser.add_argument('--use_uff', type=eval, default=True)
+ parser.add_argument('--size_factor', type=float, default=1.2)
+ args = parser.parse_args()
+
+ logger = misc.get_logger('docking')
+ logger.info(args)
+
+ # Load dataset
+ dataset, subsets = get_dataset(
+ config=EasyDict({
+ 'name': 'pl',
+ 'path': args.dataset,
+ 'split': args.split
+ })
+ )
+ train_set, test_set = subsets['train'], subsets['test']
+ logger.info(f'Successfully load the dataset (size: {len(test_set)})!')
+
+ # Dock
+ logger.info('Start docking...')
+ results = []
+ for i, data in enumerate(tqdm(test_set)):
+ mol = next(iter(Chem.SDMolSupplier(os.path.join(args.ligand_root, data.ligand_filename))))
+ # try:
+ chem_results = scoring_func.get_chem(mol)
+ vina_task = QVinaDockingTask.from_original_data(
+ data,
+ ligand_root=args.ligand_root,
+ protein_root=args.protein_root,
+ use_uff=args.use_uff,
+ size_factor=args.size_factor
+ )
+ vina_results = vina_task.run_sync()
+ # except:
+ # logger.warning('Error #%d' % i)
+ # continue
+
+ results.append({
+ 'mol': mol,
+ 'smiles': data.ligand_smiles,
+ 'ligand_filename': data.ligand_filename,
+ 'chem_results': chem_results,
+ 'vina': vina_results
+ })
+
+ # Save
+ if args.out is None:
+ split_name = os.path.basename(args.split)
+ split_name = split_name[:split_name.rfind('.')]
+ docked_name = f'{split_name}_test_docked_uff_{args.use_uff}_size_{args.size_factor}.pt'
+ out_path = os.path.join(os.path.dirname(args.dataset), docked_name)
+ else:
+ out_path = args.out
+ logger.info('Num docked: %d' % len(results))
+ logger.info('Saving results to %s' % out_path)
+ torch.save(results, out_path)
diff --git a/scripts/evaluate_diffusion.py b/scripts/evaluate_diffusion.py
new file mode 100644
index 0000000000000000000000000000000000000000..9c7030c9515779e16191954eed2ccbe4f9d58358
--- /dev/null
+++ b/scripts/evaluate_diffusion.py
@@ -0,0 +1,208 @@
+import argparse
+import os
+
+import numpy as np
+from rdkit import Chem
+from rdkit import RDLogger
+import torch
+from tqdm.auto import tqdm
+from glob import glob
+from collections import Counter
+
+from onescience.utils.targetdiff.evaluation import eval_atom_type, scoring_func, analyze, eval_bond_length
+from onescience.utils.targetdiff import misc, reconstruct, transforms
+from onescience.utils.targetdiff.evaluation.docking_qvina import QVinaDockingTask
+from onescience.utils.targetdiff.evaluation.docking_vina import VinaDockingTask
+
+
+def print_dict(d, logger):
+ for k, v in d.items():
+ if v is not None:
+ logger.info(f'{k}:\t{v:.4f}')
+ else:
+ logger.info(f'{k}:\tNone')
+
+
+def print_ring_ratio(all_ring_sizes, logger):
+ for ring_size in range(3, 10):
+ n_mol = 0
+ for counter in all_ring_sizes:
+ if ring_size in counter:
+ n_mol += 1
+ logger.info(f'ring size: {ring_size} ratio: {n_mol / len(all_ring_sizes):.3f}')
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('sample_path', type=str)
+ parser.add_argument('--verbose', type=eval, default=False)
+ parser.add_argument('--eval_step', type=int, default=-1)
+ parser.add_argument('--eval_num_examples', type=int, default=None)
+ parser.add_argument('--save', type=eval, default=True)
+ parser.add_argument('--protein_root', type=str, default='./data/crossdocked_v1.1_rmsd1.0')
+ parser.add_argument('--atom_enc_mode', type=str, default='add_aromatic')
+ parser.add_argument('--docking_mode', type=str, choices=['qvina', 'vina_score', 'vina_dock', 'none'])
+ parser.add_argument('--exhaustiveness', type=int, default=16)
+ args = parser.parse_args()
+
+ result_path = os.path.join(args.sample_path, 'eval_results')
+ os.makedirs(result_path, exist_ok=True)
+ logger = misc.get_logger('evaluate', log_dir=result_path)
+ if not args.verbose:
+ RDLogger.DisableLog('rdApp.*')
+
+ # Load generated data
+ results_fn_list = glob(os.path.join(args.sample_path, '*result_*.pt'))
+ results_fn_list = sorted(results_fn_list, key=lambda x: int(os.path.basename(x)[:-3].split('_')[-1]))
+ if args.eval_num_examples is not None:
+ results_fn_list = results_fn_list[:args.eval_num_examples]
+ num_examples = len(results_fn_list)
+ logger.info(f'Load generated data done! {num_examples} examples in total.')
+
+ num_samples = 0
+ all_mol_stable, all_atom_stable, all_n_atom = 0, 0, 0
+ n_recon_success, n_eval_success, n_complete = 0, 0, 0
+ results = []
+ all_pair_dist, all_bond_dist = [], []
+ all_atom_types = Counter()
+ success_pair_dist, success_atom_types = [], Counter()
+ for example_idx, r_name in enumerate(tqdm(results_fn_list, desc='Eval')):
+ r = torch.load(r_name) # ['data', 'pred_ligand_pos', 'pred_ligand_v', 'pred_ligand_pos_traj', 'pred_ligand_v_traj']
+ all_pred_ligand_pos = r['pred_ligand_pos_traj'] # [num_samples, num_steps, num_atoms, 3]
+ all_pred_ligand_v = r['pred_ligand_v_traj']
+ num_samples += len(all_pred_ligand_pos)
+
+ for sample_idx, (pred_pos, pred_v) in enumerate(zip(all_pred_ligand_pos, all_pred_ligand_v)):
+ pred_pos, pred_v = pred_pos[args.eval_step], pred_v[args.eval_step]
+
+ # stability check
+ pred_atom_type = transforms.get_atomic_number_from_index(pred_v, mode=args.atom_enc_mode)
+ all_atom_types += Counter(pred_atom_type)
+ r_stable = analyze.check_stability(pred_pos, pred_atom_type)
+ all_mol_stable += r_stable[0]
+ all_atom_stable += r_stable[1]
+ all_n_atom += r_stable[2]
+
+ pair_dist = eval_bond_length.pair_distance_from_pos_v(pred_pos, pred_atom_type)
+ all_pair_dist += pair_dist
+
+ # reconstruction
+ try:
+ pred_aromatic = transforms.is_aromatic_from_index(pred_v, mode=args.atom_enc_mode)
+ mol = reconstruct.reconstruct_from_generated(pred_pos, pred_atom_type, pred_aromatic)
+ smiles = Chem.MolToSmiles(mol)
+ except reconstruct.MolReconsError:
+ if args.verbose:
+ logger.warning('Reconstruct failed %s' % f'{example_idx}_{sample_idx}')
+ continue
+ n_recon_success += 1
+
+ if '.' in smiles:
+ continue
+ n_complete += 1
+
+ # chemical and docking check
+ try:
+ chem_results = scoring_func.get_chem(mol)
+ if args.docking_mode == 'qvina':
+ vina_task = QVinaDockingTask.from_generated_mol(
+ mol, r['data'].ligand_filename, protein_root=args.protein_root)
+ vina_results = vina_task.run_sync()
+ elif args.docking_mode in ['vina_score', 'vina_dock']:
+ vina_task = VinaDockingTask.from_generated_mol(
+ mol, r['data'].ligand_filename, protein_root=args.protein_root)
+ score_only_results = vina_task.run(mode='score_only', exhaustiveness=args.exhaustiveness)
+ minimize_results = vina_task.run(mode='minimize', exhaustiveness=args.exhaustiveness)
+ vina_results = {
+ 'score_only': score_only_results,
+ 'minimize': minimize_results
+ }
+ if args.docking_mode == 'vina_dock':
+ docking_results = vina_task.run(mode='dock', exhaustiveness=args.exhaustiveness)
+ vina_results['dock'] = docking_results
+ else:
+ vina_results = None
+
+ n_eval_success += 1
+ except:
+ if args.verbose:
+ logger.warning('Evaluation failed for %s' % f'{example_idx}_{sample_idx}')
+ continue
+
+ # now we only consider complete molecules as success
+ bond_dist = eval_bond_length.bond_distance_from_mol(mol)
+ all_bond_dist += bond_dist
+
+ success_pair_dist += pair_dist
+ success_atom_types += Counter(pred_atom_type)
+
+ results.append({
+ 'mol': mol,
+ 'smiles': smiles,
+ 'ligand_filename': r['data'].ligand_filename,
+ 'pred_pos': pred_pos,
+ 'pred_v': pred_v,
+ 'chem_results': chem_results,
+ 'vina': vina_results
+ })
+ logger.info(f'Evaluate done! {num_samples} samples in total.')
+
+ fraction_mol_stable = all_mol_stable / num_samples
+ fraction_atm_stable = all_atom_stable / all_n_atom
+ fraction_recon = n_recon_success / num_samples
+ fraction_eval = n_eval_success / num_samples
+ fraction_complete = n_complete / num_samples
+ validity_dict = {
+ 'mol_stable': fraction_mol_stable,
+ 'atm_stable': fraction_atm_stable,
+ 'recon_success': fraction_recon,
+ 'eval_success': fraction_eval,
+ 'complete': fraction_complete
+ }
+ print_dict(validity_dict, logger)
+
+ c_bond_length_profile = eval_bond_length.get_bond_length_profile(all_bond_dist)
+ c_bond_length_dict = eval_bond_length.eval_bond_length_profile(c_bond_length_profile)
+ logger.info('JS bond distances of complete mols: ')
+ print_dict(c_bond_length_dict, logger)
+
+ success_pair_length_profile = eval_bond_length.get_pair_length_profile(success_pair_dist)
+ success_js_metrics = eval_bond_length.eval_pair_length_profile(success_pair_length_profile)
+ print_dict(success_js_metrics, logger)
+
+ atom_type_js = eval_atom_type.eval_atom_type_distribution(success_atom_types)
+ logger.info('Atom type JS: %.4f' % atom_type_js)
+
+ if args.save:
+ eval_bond_length.plot_distance_hist(success_pair_length_profile,
+ metrics=success_js_metrics,
+ save_path=os.path.join(result_path, f'pair_dist_hist_{args.eval_step}.png'))
+
+ logger.info('Number of reconstructed mols: %d, complete mols: %d, evaluated mols: %d' % (
+ n_recon_success, n_complete, len(results)))
+
+ qed = [r['chem_results']['qed'] for r in results]
+ sa = [r['chem_results']['sa'] for r in results]
+ logger.info('QED: Mean: %.3f Median: %.3f' % (np.mean(qed), np.median(qed)))
+ logger.info('SA: Mean: %.3f Median: %.3f' % (np.mean(sa), np.median(sa)))
+ if args.docking_mode == 'qvina':
+ vina = [r['vina'][0]['affinity'] for r in results]
+ logger.info('Vina: Mean: %.3f Median: %.3f' % (np.mean(vina), np.median(vina)))
+ elif args.docking_mode in ['vina_dock', 'vina_score']:
+ vina_score_only = [r['vina']['score_only'][0]['affinity'] for r in results]
+ vina_min = [r['vina']['minimize'][0]['affinity'] for r in results]
+ logger.info('Vina Score: Mean: %.3f Median: %.3f' % (np.mean(vina_score_only), np.median(vina_score_only)))
+ logger.info('Vina Min : Mean: %.3f Median: %.3f' % (np.mean(vina_min), np.median(vina_min)))
+ if args.docking_mode == 'vina_dock':
+ vina_dock = [r['vina']['dock'][0]['affinity'] for r in results]
+ logger.info('Vina Dock : Mean: %.3f Median: %.3f' % (np.mean(vina_dock), np.median(vina_dock)))
+
+ # check ring distribution
+ print_ring_ratio([r['chem_results']['ring_size'] for r in results], logger)
+
+ if args.save:
+ torch.save({
+ 'stability': validity_dict,
+ 'bond_length': all_bond_dist,
+ 'all_results': results
+ }, os.path.join(result_path, f'metrics_{args.eval_step}.pt'))
diff --git a/scripts/evaluate_from_meta.py b/scripts/evaluate_from_meta.py
new file mode 100644
index 0000000000000000000000000000000000000000..8e32582bb8ed64da79e91ddd7919d1a2d5662708
--- /dev/null
+++ b/scripts/evaluate_from_meta.py
@@ -0,0 +1,138 @@
+import argparse
+import os
+
+import numpy as np
+from rdkit import RDLogger
+import torch
+from tqdm.auto import tqdm
+from copy import deepcopy
+
+from onescience.utils.targetdiff import misc
+from onescience.utils.targetdiff.evaluation import scoring_func
+from onescience.utils.targetdiff.evaluation.docking_qvina import QVinaDockingTask
+from onescience.utils.targetdiff.evaluation.docking_vina import VinaDockingTask
+from multiprocessing import Pool
+from functools import partial
+from glob import glob
+
+
+def eval_single_datapoint(index, id, args):
+ if isinstance(index, dict):
+ # reference set
+ index = [index]
+
+ ligand_filename = index[0]['ligand_filename']
+ num_samples = len(index[:100])
+ results = []
+ n_eval_success = 0
+ for sample_idx, sample_dict in enumerate(tqdm(index[:num_samples], desc='Eval', total=num_samples)):
+ mol = sample_dict['mol']
+ smiles = sample_dict['smiles']
+ if '.' in smiles:
+ continue
+ # chemical and docking check
+ try:
+ chem_results = scoring_func.get_chem(mol)
+ if 'vina' in sample_dict:
+ vina_results = sample_dict['vina']
+ else:
+ if args.docking_mode == 'qvina':
+ vina_task = QVinaDockingTask.from_generated_mol(mol, ligand_filename, protein_root=args.protein_root)
+ vina_results = vina_task.run_sync()
+ elif args.docking_mode == 'vina':
+ vina_task = VinaDockingTask.from_generated_mol(mol, ligand_filename, protein_root=args.protein_root)
+ vina_results = vina_task.run(mode='dock')
+ elif args.docking_mode in ['vina_full', 'vina_score']:
+ vina_task = VinaDockingTask.from_generated_mol(deepcopy(mol),
+ ligand_filename, protein_root=args.protein_root)
+ score_only_results = vina_task.run(mode='score_only', exhaustiveness=args.exhaustiveness)
+ minimize_results = vina_task.run(mode='minimize', exhaustiveness=args.exhaustiveness)
+ vina_results = {
+ 'score_only': score_only_results,
+ 'minimize': minimize_results
+ }
+ if args.docking_mode == 'vina_full':
+ dock_results = vina_task.run(mode='dock', exhaustiveness=args.exhaustiveness)
+ vina_results.update({
+ 'dock': dock_results,
+ })
+
+ elif args.docking_mode == 'none':
+ vina_results = None
+ else:
+ raise NotImplementedError
+ n_eval_success += 1
+ except Exception as e:
+ logger.warning('Evaluation failed for %s' % f'{sample_idx}')
+ print(str(e))
+ continue
+
+ results.append({
+ **sample_dict,
+ 'chem_results': chem_results,
+ 'vina': vina_results
+ })
+ logger.info(f'Evaluate No {id} done! {num_samples} samples in total. {n_eval_success} eval success!')
+ torch.save(results, os.path.join(args.result_path, f'eval_{id:03d}_{os.path.basename(ligand_filename[:-4])}.pt'))
+ return results
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('meta_file', type=str) # 'sampling_results/targetdiff_vina_docked.pt'
+ parser.add_argument('-n', '--eval_num_examples', type=int, default=100)
+ parser.add_argument('--verbose', type=eval, default=False)
+ parser.add_argument('--protein_root', type=str, default='./data/crossdocked_v1.1_rmsd1.0')
+ parser.add_argument('--docking_mode', type=str, default='vina_full',
+ choices=['none', 'qvina', 'vina', 'vina_full', 'vina_score'])
+ parser.add_argument('--exhaustiveness', type=int, default=32)
+ parser.add_argument('--num_workers', type=int, default=4)
+ parser.add_argument('--result_path', type=str, required=True)
+ parser.add_argument('--aggregate_meta', type=eval, default=False)
+ args = parser.parse_args()
+
+ if args.result_path:
+ os.makedirs(args.result_path, exist_ok=True)
+ logger = misc.get_logger('evaluate', args.result_path)
+ logger.info(args)
+ if not args.verbose:
+ RDLogger.DisableLog('rdApp.*')
+
+ if args.aggregate_meta:
+ meta_file_list = sorted(glob(os.path.join(args.meta_file, '*/result.pt')))
+ print(f'There are {len(meta_file_list)} files to aggregate')
+ test_index = []
+ for f in tqdm(meta_file_list, desc='Load meta files'):
+ test_index.append(torch.load(f))
+ else:
+ test_index = torch.load(args.meta_file)
+ if isinstance(test_index[0], dict): # single datapoint sampling result
+ test_index = [test_index]
+
+ testset_results = []
+ with Pool(args.num_workers) as p:
+ for r in tqdm(p.starmap(partial(eval_single_datapoint, args=args),
+ zip(test_index[:args.eval_num_examples], list(range(args.eval_num_examples)))),
+ total=args.eval_num_examples, desc='Overall Eval'):
+ testset_results.append(r)
+
+ if args.result_path:
+ torch.save(testset_results, os.path.join(args.result_path, f'eval_all.pt'))
+
+ qed = [x['chem_results']['qed'] for r in testset_results for x in r]
+ sa = [x['chem_results']['sa'] for r in testset_results for x in r]
+ num_atoms = [len(x['pred_pos']) for r in testset_results for x in r]
+ logger.info('QED: Mean: %.3f Median: %.3f' % (np.mean(qed), np.median(qed)))
+ logger.info('SA: Mean: %.3f Median: %.3f' % (np.mean(sa), np.median(sa)))
+ logger.info('Num atoms: Mean: %.3f Median: %.3f' % (np.mean(num_atoms), np.median(num_atoms)))
+ if args.docking_mode in ['vina', 'qvina']:
+ vina = [x['vina'][0]['affinity'] for r in testset_results for x in r]
+ logger.info('Vina: Mean: %.3f Median: %.3f' % (np.mean(vina), np.median(vina)))
+ elif args.docking_mode in ['vina_full', 'vina_score']:
+ vina_score_only = [x['vina']['score_only'][0]['affinity'] for r in testset_results for x in r]
+ vina_min = [x['vina']['minimize'][0]['affinity'] for r in testset_results for x in r]
+ logger.info('Vina Score: Mean: %.3f Median: %.3f' % (np.mean(vina_score_only), np.median(vina_score_only)))
+ logger.info('Vina Min : Mean: %.3f Median: %.3f' % (np.mean(vina_min), np.median(vina_min)))
+ if args.docking_mode == 'vina_full':
+ vina_dock = [x['vina']['dock'][0]['affinity'] for r in testset_results for x in r]
+ logger.info('Vina Dock : Mean: %.3f Median: %.3f' % (np.mean(vina_dock), np.median(vina_dock)))
diff --git a/scripts/inference.sh b/scripts/inference.sh
new file mode 100644
index 0000000000000000000000000000000000000000..a22f5e6e21f3cd17305f39a05e89ea34eca75c7a
--- /dev/null
+++ b/scripts/inference.sh
@@ -0,0 +1,27 @@
+#!/bin/bash
+source ${ROCM_PATH}/cuda/env.sh
+export LD_LIBRARY_PATH="$CONDA_PREFIX/lib/lib:$LD_LIBRARY_PATH"
+export LD_LIBRARY_PATH="$CONDA_PREFIX/lib/python3.11/site-packages/fastpt/torch/lib:$LD_LIBRARY_PATH"
+
+SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
+PROJECT_ROOT="$(cd "${SCRIPT_DIR}/../../.." && pwd)"
+#source ${PROJECT_ROOT}/env.sh
+
+echo "ONESCIENCE_PATH:" $PROJECT_ROOT
+echo ${ONESCIENCE_DATASETS_DIR}
+echo ${ONESCIENCE_MODELS_DIR}
+
+#cd ${PROJECT_ROOT}/examples/biosciences/targetdiff
+
+CKPT_PATH=${ONESCIENCE_MODELS_DIR}/targetdiff/pretrained_models/egnn_pdbbind_v2016.pt
+PROTEIN_PATH=${ONESCIENCE_DATASETS_DIR}/targetdiff/examples/3ug2_protein.pdb
+LIGAND_PATH=${ONESCIENCE_DATASETS_DIR}/targetdiff/examples/3ug2_ligand.sdf
+KIND=${4:-Kd}
+DEVICE=${5:-cuda}
+
+python scripts/property_prediction/fixed_inference.py \
+ --ckpt_path ${CKPT_PATH} \
+ --protein_path ${PROTEIN_PATH} \
+ --ligand_path ${LIGAND_PATH} \
+ --kind ${KIND} \
+ --device ${DEVICE}
diff --git a/scripts/likelihood_est_diffusion.py b/scripts/likelihood_est_diffusion.py
new file mode 100644
index 0000000000000000000000000000000000000000..96dac6de5ac767b65d0015a8b1e7e9ecad166b80
--- /dev/null
+++ b/scripts/likelihood_est_diffusion.py
@@ -0,0 +1,198 @@
+import argparse
+import os
+import pickle
+
+import numpy as np
+import torch
+from torch_geometric.data import Batch
+from torch_geometric.transforms import Compose
+from tqdm.auto import tqdm
+
+import onescience.utils.targetdiff.misc as misc
+import onescience.utils.targetdiff.transforms as trans
+from onescience.datapipes.targetdiff import get_dataset
+from onescience.datapipes.targetdiff.pl_data import FOLLOW_BATCH
+from models.molopt_score_model import ScorePosNet3D
+
+
+def data_likelihood_estimation(model, data, time_steps, batch_size=1, device='cuda:0'):
+ num_timesteps = len(time_steps)
+ num_batch = int(np.ceil(num_timesteps / batch_size))
+ all_kl_pos, all_kl_v = [], []
+
+ cur_i = 0
+ # t in [T-1, ..., 0]
+ for i in range(num_batch):
+ n_data = batch_size if i < num_batch - 1 else num_timesteps - batch_size * (num_batch - 1)
+ batch = Batch.from_data_list([data.clone() for _ in range(n_data)], follow_batch=FOLLOW_BATCH).to(device)
+ time_step = time_steps[cur_i:cur_i + n_data]
+
+ kl_pos, kl_v = model.likelihood_estimation(
+ protein_pos=batch.protein_pos,
+ protein_v=batch.protein_atom_feature.float(),
+ batch_protein=batch.protein_element_batch,
+
+ ligand_pos=batch.ligand_pos,
+ ligand_v=batch.ligand_atom_feature_full,
+ batch_ligand=batch.ligand_element_batch,
+
+ time_step=time_step
+ )
+ all_kl_pos.append(kl_pos)
+ all_kl_v.append(kl_v)
+ cur_i += n_data
+
+ # prior
+ batch = Batch.from_data_list([data.clone() for _ in range(1)], follow_batch=FOLLOW_BATCH).to(device)
+ time_step = torch.tensor([model.num_timesteps], device=device)
+ kl_pos_prior, kl_v_prior = model.likelihood_estimation(
+ protein_pos=batch.protein_pos,
+ protein_v=batch.protein_atom_feature.float(),
+ batch_protein=batch.protein_element_batch,
+
+ ligand_pos=batch.ligand_pos,
+ ligand_v=batch.ligand_atom_feature_full,
+ batch_ligand=batch.ligand_element_batch,
+
+ time_step=time_step
+ )
+ all_kl_pos, all_kl_v = torch.cat(all_kl_pos), torch.cat(all_kl_v)
+ sum_kl_pos, sum_kl_v = model.num_timesteps * torch.mean(all_kl_pos), model.num_timesteps * torch.mean(all_kl_v)
+ all_kl_pos, all_kl_v = torch.cat([all_kl_pos, kl_pos_prior]), torch.cat([all_kl_v, kl_v_prior])
+ sum_kl_pos += kl_pos_prior[0]
+ sum_kl_v += kl_v_prior[0]
+ return all_kl_pos.cpu(), all_kl_v.cpu(), sum_kl_pos.item(), sum_kl_v.item()
+
+
+def get_dataset_result(dset, affinity_info):
+ valid_id = []
+ for data_id in tqdm(range(len(dset)), desc='Filtering data'):
+ data = dset[data_id]
+ ligand_fn_key = data.ligand_filename[:-4]
+ pk = affinity_info[ligand_fn_key]['pk']
+ if pk > 0:
+ valid_id.append(data_id)
+ print(f'There are {len(valid_id)} examples with valid pK in total.')
+
+ all_results = []
+ for data_id in tqdm(valid_id, desc='Evaluating'):
+ data = dset[data_id]
+ # likelihoods
+ time_steps = torch.tensor(list(range(0, 1000, 100)), device=args.device)
+ all_kl_pos, all_kl_v, sum_kl_pos, sum_kl_v = data_likelihood_estimation(
+ model, data, time_steps, batch_size=args.batch_size, device=args.device)
+ kl = sum_kl_pos + sum_kl_v
+
+ # embedding
+ batch = Batch.from_data_list([data.clone() for _ in range(1)], follow_batch=FOLLOW_BATCH).to(args.device)
+ preds = model.fetch_embedding(
+ protein_pos=batch.protein_pos,
+ protein_v=batch.protein_atom_feature.float(),
+ batch_protein=batch.protein_element_batch,
+
+ ligand_pos=batch.ligand_pos,
+ ligand_v=batch.ligand_atom_feature_full,
+ batch_ligand=batch.ligand_element_batch,
+ )
+
+ # gather results
+ ligand_fn_key = data.ligand_filename[:-4]
+ result = {
+ 'idx': data_id,
+ **affinity_info[ligand_fn_key],
+ 'kl_pos': all_kl_pos,
+ 'kl_v': all_kl_v,
+ 'nll': kl,
+ 'pred_ligand_v': preds['pred_ligand_v'].cpu(),
+ 'final_h': preds['final_h'].cpu(),
+ 'final_ligand_h': preds['final_ligand_h'].cpu()
+ }
+ all_results.append(result)
+ return all_results
+
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser()
+ parser.add_argument('--device', type=str, default='cuda:0')
+ parser.add_argument('--config', type=str, default='configs/sampling/final_diffusion/aromatic_176k.yml')
+ parser.add_argument('--affinity_path', type=str, default='data/affinity_info.pkl')
+ parser.add_argument('--index_path', type=str, default='data/crossdocked_v1.1_rmsd1.0_pocket10/index.pkl')
+ parser.add_argument('--batch_size', type=int, default=4)
+ parser.add_argument('--result_path', type=str, default='./outputs_embedding')
+
+ args = parser.parse_args()
+
+ logger = misc.get_logger('evaluate')
+
+ if os.path.exists(args.affinity_path):
+ with open(args.affinity_path, 'rb') as f:
+ affinity_info = pickle.load(f)
+ else:
+ # collect index
+ with open(args.index_path, 'rb') as f:
+ index = pickle.load(f)
+ affinity_info = {}
+ for pdb_file, sdf_file, rmsd in index:
+ affinity_info[sdf_file[:-4]] = {'rmsd': rmsd}
+
+ # fetch reference vina score / binding affinity
+ types_path = 'data/CrossDocked2020/types/it2_tt_v1.1_completeset_train0.types'
+ with open(types_path, 'r') as f:
+ for ln in tqdm(f.readlines()):
+ #