diff --git a/.gitattributes b/.gitattributes index a6344aac8c09253b3b630fb776ae94478aa0275b..aa984bb68d6f15f50b01fb221ddbb8a5cb7a95fb 100644 --- a/.gitattributes +++ b/.gitattributes @@ -1,35 +1,49 @@ *.7z filter=lfs diff=lfs merge=lfs -text *.arrow filter=lfs diff=lfs merge=lfs -text *.bin filter=lfs diff=lfs merge=lfs -text +*.bin.* filter=lfs diff=lfs merge=lfs -text *.bz2 filter=lfs diff=lfs merge=lfs -text -*.ckpt filter=lfs diff=lfs merge=lfs -text *.ftz filter=lfs diff=lfs merge=lfs -text *.gz filter=lfs diff=lfs merge=lfs -text *.h5 filter=lfs diff=lfs merge=lfs -text *.joblib filter=lfs diff=lfs merge=lfs -text *.lfs.* filter=lfs diff=lfs merge=lfs -text -*.mlmodel filter=lfs diff=lfs merge=lfs -text *.model filter=lfs diff=lfs merge=lfs -text *.msgpack filter=lfs diff=lfs merge=lfs -text -*.npy filter=lfs diff=lfs merge=lfs -text -*.npz filter=lfs diff=lfs merge=lfs -text *.onnx filter=lfs diff=lfs merge=lfs -text *.ot filter=lfs diff=lfs merge=lfs -text *.parquet filter=lfs diff=lfs merge=lfs -text *.pb filter=lfs diff=lfs merge=lfs -text -*.pickle filter=lfs diff=lfs merge=lfs -text -*.pkl filter=lfs diff=lfs merge=lfs -text *.pt filter=lfs diff=lfs merge=lfs -text *.pth filter=lfs diff=lfs merge=lfs -text *.rar filter=lfs diff=lfs merge=lfs -text -*.safetensors filter=lfs diff=lfs merge=lfs -text saved_model/**/* filter=lfs diff=lfs merge=lfs -text *.tar.* filter=lfs diff=lfs merge=lfs -text -*.tar filter=lfs diff=lfs merge=lfs -text *.tflite filter=lfs diff=lfs merge=lfs -text *.tgz filter=lfs diff=lfs merge=lfs -text -*.wasm filter=lfs diff=lfs merge=lfs -text *.xz filter=lfs diff=lfs merge=lfs -text *.zip filter=lfs diff=lfs merge=lfs -text +*.zstandard filter=lfs diff=lfs merge=lfs -text +*.tfevents* filter=lfs diff=lfs merge=lfs -text +*.db* filter=lfs diff=lfs merge=lfs -text +*.ark* filter=lfs diff=lfs merge=lfs -text +**/*ckpt*data* filter=lfs diff=lfs merge=lfs -text +**/*ckpt*.meta filter=lfs diff=lfs merge=lfs -text +**/*ckpt*.index filter=lfs diff=lfs merge=lfs -text +*.safetensors filter=lfs diff=lfs merge=lfs -text +*.ckpt filter=lfs diff=lfs merge=lfs -text +*.gguf* filter=lfs diff=lfs merge=lfs -text +*.ggml filter=lfs diff=lfs merge=lfs -text +*.llamafile* filter=lfs diff=lfs merge=lfs -text +*.pt2 filter=lfs diff=lfs merge=lfs -text +*.mlmodel filter=lfs diff=lfs merge=lfs -text +*.npy filter=lfs diff=lfs merge=lfs -text +*.npz filter=lfs diff=lfs merge=lfs -text +*.pickle filter=lfs diff=lfs merge=lfs -text +*.pkl filter=lfs diff=lfs merge=lfs -text +*.tar filter=lfs diff=lfs merge=lfs -text +*.wasm filter=lfs diff=lfs merge=lfs -text *.zst filter=lfs diff=lfs merge=lfs -text -*tfevents* filter=lfs diff=lfs merge=lfs -text +*tfevents* filter=lfs diff=lfs merge=lfs -textconf/example/demo/ProtTrans/A0A009IHW8.tensor filter=lfs diff=lfs merge=lfs -text +conf/example/demo/ProtTrans/A0A011QK89.tensor filter=lfs diff=lfs merge=lfs -text +scripts/feature_extraction/mkdssp filter=lfs diff=lfs merge=lfs -text diff --git a/LICENSE b/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..12964dcf178f6116c1ec55bddee22e1833a6f399 --- /dev/null +++ b/LICENSE @@ -0,0 +1,21 @@ +MIT License + +Copyright (c) 2023 Biomed-AI@NSCC-GZ + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. diff --git a/README.md b/README.md new file mode 100644 index 0000000000000000000000000000000000000000..cc1b645a9b2631e56878cc5a58a7414f7b1d5c68 --- /dev/null +++ b/README.md @@ -0,0 +1,329 @@ +--- +license: mit +language: +- en +- zh +tags: +- OneScience +- life-science +- protein +- binding-site +- GPSite +frameworks: PyTorch +--- + +

+ + GPSite + +

+ +# Model Introduction + +GPSite is a geometry-aware multitask network for protein binding-site prediction. It simultaneously predicts potential binding sites between protein residues and DNA, RNA, peptides, proteins, ATP, heme (HEM), and various metal ions. The method uses sequence representations generated by a pretrained protein language model and predicted structures to perform binding-site prediction, without relying on MSA or experimentally resolved protein structures. + +Paper: + +> **Genome-scale annotation of protein binding sites via language model and geometric deep learning** +> https://doi.org/10.7554/eLife.93695 + +# Model Description + +GPSite takes a protein FASTA sequence as input. The complete inference workflow first uses ESMFold to predict the protein structure and ProtT5-XL-UniRef50 to extract sequence representations. It then combines the predicted structure with DSSP features to construct residue-level geometric representations, and finally uses the GPSite graph neural network to output residue-level prediction scores for multiple binding-site types simultaneously. + +# Use Cases + +| Use case | Description | +| --- | --- | +| Protein binding-site prediction | Predict residue-level binding-site scores from a protein sequence | +| Multi-ligand binding analysis | Simultaneously predict binding sites for DNA, RNA, peptides, proteins, ATP, HEM, and various metal ions | +| Prediction without an experimental structure | Use ESMFold to predict the structure without providing an experimentally resolved structure in advance | +| Batch protein sequence analysis | Perform structure prediction, feature extraction, and site prediction on multiple protein sequences in a FASTA file | + +# Usage + +## 1. Using OneCode + +Experience intelligent one-click AI4S programming in 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** + +- A GPU/DCU is recommended for running GPSite because ESMFold structure prediction in the complete workflow requires substantial computation and GPU memory. +- GPSite supports CPU execution, but the structure prediction stage is significantly slower without a GPU/DCU. + +### Set Up the Runtime Environment + +#### DCU Environment + +```bash +# Activate DTK and CONDA first +conda create -n onescience311 python=3.11 -y +conda activate onescience311 + +# Install with uv support +pip install onescience[bio] \ + -i http://mirrors.onescience.ai:3141/pypi/simple/ \ + --trusted-host mirrors.onescience.ai +``` + +#### Environment Notes +- If you encounter missing dependencies or version incompatibilities during execution, refer to the dependency versions specified in `requirements.txt` and install or adjust the relevant dependencies as needed. +- The following versions are recommended for ProtTrans-related dependencies: + +```bash +python -m pip install \ + "transformers==4.30.1" \ + "tokenizers==0.13.3" \ + "sentencepiece==0.1.99" +``` + +- ESMFold-related dependencies can be installed as follows: + +```bash +python -m pip install "fair-esm[esmfold]" +python -m pip install modelcif==0.7 +``` + +- GPSite also requires `dllogger`. If online installation fails, download the `dllogger` source code and install it locally from the source directory: + +```bash +python -m pip install /path/to/dllogger-master +``` + +### Prepare Weights and Models + +Complete GPSite inference depends not only on the GPSite weights in this repository, but also on ProtT5, ESMFold, and ESM-2 weights. Complete the following preparations before first use. + +#### 1) GPSite Model Weights + +The `model/` directory in the GPSite repository contains five trained weights: + +```text +model/ +├── fold0.ckpt +├── fold1.ckpt +├── fold2.ckpt +├── fold3.ckpt +└── fold4.ckpt +``` + +During inference, the five models above are loaded in sequence and their prediction results are averaged. The complete model package downloaded from Hugging Face should already include these weights required for GPSite inference, so separate downloads are normally unnecessary. + +#### 2) ProtT5-XL-UniRef50 + +GPSite uses ProtT5-XL-UniRef50 to extract protein sequence representations. The model can be downloaded from: + +```text +https://zenodo.org/record/4644188 +``` + +After downloading the model, make sure that `PROTTRANS_DIR` in `scripts/run_infer.sh` points to the actual model directory. `scripts/predict.py` reads this path through the `PROTTRANS_PATH` environment variable. + +#### 3) ESMFold and ESM-2 + +The official version of GPSite automatically downloads ESMFold and ESM-2 on the first run. If the runtime environment has limited network access or is offline, prepare the local weights in advance. The recommended location is: + +```text +weight/checkpoints/ +├── esmfold_3B_v1.pt +├── esm2_t36_3B_UR50D.pt +└── esm2_t36_3B_UR50D-contact-regression.pt +``` + +Also make sure that `ESMFOLD_HUB_DIR` in `scripts/run_infer.sh` points to the `weight` directory within the project. + +ESMFold v1 also loads ESM-2 internally, so at least the following files are required: + +```text +esmfold_3B_v1.pt +esm2_t36_3B_UR50D.pt +``` +It is also recommended to keep: + +```text +esm2_t36_3B_UR50D-contact-regression.pt +``` + +#### 4) DSSP + +GPSite calls the following during structural feature extraction: + +```text +scripts/feature_extraction/mkdssp +``` + +Before first use, make sure that this file has execute permission: + +```bash +chmod +x scripts/feature_extraction/mkdssp +``` + +## 3. Quick Start + +### Download the Model Package + +```bash +hf download OneScience-Group/GPSite --local-dir ./GPSite +cd GPSite +``` +- Complete GPSite inference additionally depends on **ProtT5-XL-UniRef50, ESMFold, ESM-2, and OpenFold**. Follow "Prepare Weights and Models" to install the relevant models, weights, and OpenFold first. +- GPSite additionally depends on OpenFold. OpenFold must be installed in the current Python/Conda environment; its source code does not need to remain in the project directory. To install from source, download and extract the OpenFold source code, then run the following in the source directory: + +```bash +python3 setup.py install +``` + +# Example Data + +The official GPSite example input is located at: + +```text +conf/example/demo.fa +``` + +The input uses the standard FASTA format: + +```text +>protein_id +MSEQUENCE... +``` + +GPSite automatically creates an output subdirectory based on the FASTA filename. For example, if the input is `conf/example/demo.fa`, the output will be located at: + +```text +/demo/ +``` + +# Inference + +Before running inference, enter the GPSite project root and make sure that the model paths in `scripts/run_infer.sh` have been changed to the actual paths in your environment: + +```bash +cd /path/to/GPSite +``` + +In particular, check: + +```bash +PROTTRANS_DIR="/path/to/prot_t5_xl_uniref50" +ESMFOLD_HUB_DIR="/path/to/weight" +``` + +The basic usage of the inference script is: + +```bash +bash scripts/run_infer.sh +``` + +Arguments: + +| Argument | Description | +| --- | --- | +| `` | GPU index to use; in a single-GPU environment, this is typically `0` | +| `` | Path to the input FASTA file; a relative or absolute path can be used | +| `` | Root output directory; the script automatically creates a subdirectory based on the FASTA filename | + +Run the demo: + +```bash +bash scripts/run_infer.sh 0 ./conf/example/demo.fa ./results/ +``` + +The command above reads `conf/example/demo.fa` and generates intermediate files and final prediction results under `./results/demo/`. + +Run your own FASTA file: + +```bash +bash scripts/run_infer.sh 0 /path/to/your.fa ./results/ +``` + +For example, if the input file is `/public/home/user/test.fa` and the root output directory is `./results/`, the final prediction results are typically located at: + +```text +./results/test/pred/ +``` + +During inference, GPSite sequentially performs ESMFold structure prediction, ProtT5 sequence representation extraction, DSSP structural feature extraction, and prediction with the five GPSite models. When the process completes successfully, the terminal log should contain messages similar to: + +```text +Feature extraction is done +Prediction is done +Results are saved in //pred/ +``` + +## Inference Workflow + +The complete inference workflow is: + +```text +FASTA input + ↓ +ESMFold structure prediction + ↓ +ProtT5 sequence representation extraction + ↓ +PDB / DSSP / geometric feature processing + ↓ +GPSite five-model inference + ↓ +Average the outputs of the five models + ↓ +Residue-level scores for 10 binding-site types +``` + +# Output Description + +Assuming that the input file is `demo.fa` and the root output directory is `./results/`, the final prediction results are located at: + +```text +./results/demo/pred/ +``` + +The main results include: + +```text +pred/ +├── overview.txt +├── A0A009IHW8.txt +└── A0A011QK89.txt +``` + +The files are: + +- `overview.txt`: Summary of the overall prediction results for all input proteins. +- `.txt`: Residue-level prediction results for the corresponding protein. + +The residue-level prediction files contain scores for the following 10 binding-site types: + +```text +DNA +RNA +Peptide +Protein +ATP +HEM +ZN +CA +MG +MN +``` + +According to the official GPSite documentation, residues with normalized prediction scores greater than `0.5` can be considered predicted binding sites. + +# Official OneScience Information + +| Platform | Main OneScience 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 + +- Original GPSite paper: [Genome-scale annotation of protein binding sites via language model and geometric deep learning](https://doi.org/10.7554/eLife.93695). +- The official GPSite source code is released under the MIT License; see `LICENSE` in the repository root. +- If you use this repository in research, we recommend citing the original GPSite paper and the relevant OneScience project information. 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100644 index 0000000000000000000000000000000000000000..0293b966459fd7aab87fd0ea2b342163ac755bd3 --- /dev/null +++ b/conf/example/demo/ProtTrans/A0A011QK89.tensor @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1115d6e7790afaeaac3e15771c2607aae5bc0cb727e4a6050dcd720ce8a82ba1 +size 1590443 diff --git a/conf/example/demo/esmfold_pred.log b/conf/example/demo/esmfold_pred.log new file mode 100644 index 0000000000000000000000000000000000000000..89a6e1cc96e422da545ebe41039d3270fc1a3abd --- /dev/null +++ b/conf/example/demo/esmfold_pred.log @@ -0,0 +1,3 @@ +26/08/04 10:13:52 | INFO | root | Reading sequences from example/demo/test_seq.fa +26/08/04 10:13:52 | INFO | root | Loaded 2 sequences from example/demo/test_seq.fa +26/08/04 10:13:52 | INFO | root | Loading model diff --git a/conf/example/demo/pdb/A0A009IHW8.pdb b/conf/example/demo/pdb/A0A009IHW8.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d9ec5886be4fe99c5b0ecda103ecb4c50fcf13c3 --- /dev/null +++ b/conf/example/demo/pdb/A0A009IHW8.pdb @@ -0,0 +1,2180 @@ +PARENT N/A +ATOM 1 N MET A 1 -17.898 -7.229 -36.464 1.00 90.28 N +ATOM 2 CA MET A 1 -17.016 -8.123 -37.210 1.00 94.05 C +ATOM 3 C MET A 1 -17.631 -9.513 -37.336 1.00 94.37 C +ATOM 4 CB MET A 1 -15.647 -8.216 -36.534 1.00 89.39 C +ATOM 5 O MET A 1 -17.936 -9.963 -38.442 1.00 93.71 O +ATOM 6 CG MET A 1 -14.798 -6.966 -36.694 1.00 72.81 C +ATOM 7 SD MET A 1 -13.109 -7.170 -36.008 1.00 70.07 S +ATOM 8 CE MET A 1 -13.464 -7.031 -34.235 1.00 65.07 C +ATOM 9 N SER A 2 -17.894 -10.179 -36.193 1.00 92.27 N +ATOM 10 CA SER A 2 -18.347 -11.567 -36.192 1.00 94.12 C +ATOM 11 C SER A 2 -19.613 -11.735 -37.026 1.00 94.46 C +ATOM 12 CB SER A 2 -18.600 -12.047 -34.763 1.00 90.20 C +ATOM 13 O SER A 2 -19.733 -12.691 -37.795 1.00 94.53 O +ATOM 14 OG SER A 2 -19.606 -11.266 -34.140 1.00 71.62 O +ATOM 15 N LEU A 3 -20.545 -10.764 -36.952 1.00 93.94 N +ATOM 16 CA LEU A 3 -21.801 -10.799 -37.694 1.00 94.88 C +ATOM 17 C LEU A 3 -21.548 -10.691 -39.194 1.00 95.05 C +ATOM 18 CB LEU A 3 -22.725 -9.667 -37.238 1.00 92.29 C +ATOM 19 O LEU A 3 -22.123 -11.447 -39.980 1.00 95.07 O +ATOM 20 CG LEU A 3 -24.093 -9.593 -37.917 1.00 80.79 C +ATOM 21 CD1 LEU A 3 -24.925 -10.824 -37.570 1.00 73.69 C +ATOM 22 CD2 LEU A 3 -24.823 -8.317 -37.513 1.00 74.44 C +ATOM 23 N GLU A 4 -20.697 -9.743 -39.653 1.00 94.43 N +ATOM 24 CA GLU A 4 -20.368 -9.559 -41.064 1.00 95.61 C +ATOM 25 C GLU A 4 -19.569 -10.742 -41.603 1.00 95.10 C +ATOM 26 CB GLU A 4 -19.586 -8.259 -41.269 1.00 94.46 C +ATOM 27 O GLU A 4 -19.800 -11.194 -42.727 1.00 94.47 O +ATOM 28 CG GLU A 4 -20.379 -7.005 -40.931 1.00 90.02 C +ATOM 29 CD GLU A 4 -21.600 -6.810 -41.815 1.00 83.19 C +ATOM 30 OE1 GLU A 4 -21.607 -7.318 -42.960 1.00 87.40 O +ATOM 31 OE2 GLU A 4 -22.556 -6.144 -41.360 1.00 88.19 O +ATOM 32 N GLN A 5 -18.642 -11.325 -40.851 1.00 93.27 N +ATOM 33 CA GLN A 5 -17.925 -12.547 -41.198 1.00 95.19 C +ATOM 34 C GLN A 5 -18.892 -13.703 -41.440 1.00 95.00 C +ATOM 35 CB GLN A 5 -16.930 -12.917 -40.096 1.00 94.00 C +ATOM 36 O GLN A 5 -18.787 -14.405 -42.447 1.00 95.34 O +ATOM 37 CG GLN A 5 -15.673 -12.058 -40.089 1.00 91.03 C +ATOM 38 CD GLN A 5 -14.781 -12.334 -38.893 1.00 88.20 C +ATOM 39 NE2 GLN A 5 -13.472 -12.215 -39.090 1.00 91.40 N +ATOM 40 OE1 GLN A 5 -15.263 -12.651 -37.802 1.00 90.16 O +ATOM 41 N LYS A 6 -19.903 -13.915 -40.578 1.00 95.86 N +ATOM 42 CA LYS A 6 -20.927 -14.941 -40.757 1.00 96.31 C +ATOM 43 C LYS A 6 -21.733 -14.697 -42.029 1.00 95.84 C +ATOM 44 CB LYS A 6 -21.860 -14.985 -39.546 1.00 94.34 C +ATOM 45 O LYS A 6 -21.918 -15.610 -42.837 1.00 95.74 O +ATOM 46 CG LYS A 6 -21.250 -15.644 -38.318 1.00 84.30 C +ATOM 47 CD LYS A 6 -22.245 -15.711 -37.166 1.00 80.13 C +ATOM 48 CE LYS A 6 -21.634 -16.367 -35.935 1.00 76.23 C +ATOM 49 NZ LYS A 6 -22.630 -16.507 -34.831 1.00 75.86 N +ATOM 50 N LYS A 7 -22.119 -13.431 -42.326 1.00 95.47 N +ATOM 51 CA LYS A 7 -22.813 -13.069 -43.559 1.00 96.10 C +ATOM 52 C LYS A 7 -21.964 -13.396 -44.784 1.00 95.59 C +ATOM 53 CB LYS A 7 -23.175 -11.583 -43.554 1.00 94.90 C +ATOM 54 O LYS A 7 -22.473 -13.925 -45.775 1.00 95.30 O +ATOM 55 CG LYS A 7 -24.306 -11.225 -42.600 1.00 88.94 C +ATOM 56 CD LYS A 7 -24.565 -9.724 -42.579 1.00 83.00 C +ATOM 57 CE LYS A 7 -25.620 -9.352 -41.547 1.00 81.34 C +ATOM 58 NZ LYS A 7 -25.715 -7.873 -41.359 1.00 81.20 N +ATOM 59 N GLY A 8 -20.696 -13.027 -44.708 1.00 95.13 N +ATOM 60 CA GLY A 8 -19.768 -13.370 -45.774 1.00 96.25 C +ATOM 61 C GLY A 8 -19.669 -14.863 -46.022 1.00 95.95 C +ATOM 62 O GLY A 8 -19.779 -15.317 -47.163 1.00 95.70 O +ATOM 63 N ALA A 9 -19.583 -15.676 -44.969 1.00 95.45 N +ATOM 64 CA ALA A 9 -19.524 -17.134 -45.045 1.00 96.37 C +ATOM 65 C ALA A 9 -20.808 -17.704 -45.641 1.00 96.01 C +ATOM 66 CB ALA A 9 -19.272 -17.729 -43.662 1.00 94.76 C +ATOM 67 O ALA A 9 -20.761 -18.555 -46.532 1.00 96.04 O +ATOM 68 N ASP A 10 -21.951 -17.252 -45.297 1.00 96.24 N +ATOM 69 CA ASP A 10 -23.259 -17.643 -45.813 1.00 96.76 C +ATOM 70 C ASP A 10 -23.377 -17.331 -47.303 1.00 96.54 C +ATOM 71 CB ASP A 10 -24.374 -16.938 -45.038 1.00 95.01 C +ATOM 72 O ASP A 10 -23.904 -18.138 -48.071 1.00 96.36 O +ATOM 73 CG ASP A 10 -24.511 -17.436 -43.610 1.00 80.73 C +ATOM 74 OD1 ASP A 10 -23.952 -18.505 -43.281 1.00 71.15 O +ATOM 75 OD2 ASP A 10 -25.186 -16.756 -42.807 1.00 79.27 O +ATOM 76 N ILE A 11 -22.872 -16.197 -47.817 1.00 96.00 N +ATOM 77 CA ILE A 11 -22.914 -15.788 -49.216 1.00 96.70 C +ATOM 78 C ILE A 11 -22.004 -16.691 -50.046 1.00 96.16 C +ATOM 79 CB ILE A 11 -22.499 -14.309 -49.385 1.00 95.71 C +ATOM 80 O ILE A 11 -22.401 -17.175 -51.108 1.00 95.82 O +ATOM 81 CG1 ILE A 11 -23.629 -13.381 -48.925 1.00 87.66 C +ATOM 82 CG2 ILE A 11 -22.109 -14.019 -50.837 1.00 87.37 C +ATOM 83 CD1 ILE A 11 -23.217 -11.921 -48.793 1.00 82.63 C +ATOM 84 N ILE A 12 -20.774 -16.988 -49.540 1.00 94.44 N +ATOM 85 CA ILE A 12 -19.840 -17.888 -50.207 1.00 95.78 C +ATOM 86 C ILE A 12 -20.466 -19.275 -50.340 1.00 94.78 C +ATOM 87 CB ILE A 12 -18.499 -17.977 -49.445 1.00 94.58 C +ATOM 88 O ILE A 12 -20.461 -19.863 -51.424 1.00 94.91 O +ATOM 89 CG1 ILE A 12 -17.725 -16.660 -49.570 1.00 91.94 C +ATOM 90 CG2 ILE A 12 -17.663 -19.154 -49.958 1.00 91.48 C +ATOM 91 CD1 ILE A 12 -16.538 -16.546 -48.623 1.00 88.32 C +ATOM 92 N SER A 13 -21.150 -19.813 -49.325 1.00 97.06 N +ATOM 93 CA SER A 13 -21.869 -21.082 -49.350 1.00 97.32 C +ATOM 94 C SER A 13 -22.961 -21.079 -50.414 1.00 96.77 C +ATOM 95 CB SER A 13 -22.480 -21.380 -47.980 1.00 96.15 C +ATOM 96 O SER A 13 -23.079 -22.026 -51.194 1.00 96.39 O +ATOM 97 OG SER A 13 -23.111 -22.649 -47.976 1.00 75.27 O +ATOM 98 N LYS A 14 -23.684 -19.962 -50.564 1.00 95.87 N +ATOM 99 CA LYS A 14 -24.745 -19.818 -51.557 1.00 96.58 C +ATOM 100 C LYS A 14 -24.172 -19.757 -52.970 1.00 95.97 C +ATOM 101 CB LYS A 14 -25.577 -18.566 -51.275 1.00 95.99 C +ATOM 102 O LYS A 14 -24.715 -20.367 -53.893 1.00 95.85 O +ATOM 103 CG LYS A 14 -26.525 -18.706 -50.093 1.00 93.22 C +ATOM 104 CD LYS A 14 -27.161 -17.372 -49.725 1.00 88.48 C +ATOM 105 CE LYS A 14 -28.082 -17.504 -48.519 1.00 87.52 C +ATOM 106 NZ LYS A 14 -28.461 -16.171 -47.963 1.00 87.76 N +ATOM 107 N ILE A 15 -23.080 -19.075 -53.220 1.00 95.85 N +ATOM 108 CA ILE A 15 -22.390 -19.044 -54.506 1.00 96.60 C +ATOM 109 C ILE A 15 -22.002 -20.462 -54.918 1.00 95.51 C +ATOM 110 CB ILE A 15 -21.139 -18.139 -54.454 1.00 96.12 C +ATOM 111 O ILE A 15 -22.338 -20.910 -56.017 1.00 94.96 O +ATOM 112 CG1 ILE A 15 -21.549 -16.663 -54.393 1.00 94.43 C +ATOM 113 CG2 ILE A 15 -20.230 -18.406 -55.658 1.00 93.96 C +ATOM 114 CD1 ILE A 15 -20.413 -15.720 -54.020 1.00 92.46 C +ATOM 115 N LEU A 16 -21.407 -21.271 -54.000 1.00 96.17 N +ATOM 116 CA LEU A 16 -20.973 -22.642 -54.244 1.00 96.64 C +ATOM 117 C LEU A 16 -22.162 -23.539 -54.569 1.00 95.57 C +ATOM 118 CB LEU A 16 -20.221 -23.191 -53.029 1.00 95.63 C +ATOM 119 O LEU A 16 -22.097 -24.354 -55.492 1.00 95.08 O +ATOM 120 CG LEU A 16 -18.841 -22.591 -52.756 1.00 91.42 C +ATOM 121 CD1 LEU A 16 -18.305 -23.081 -51.415 1.00 87.26 C +ATOM 122 CD2 LEU A 16 -17.875 -22.938 -53.884 1.00 87.96 C +ATOM 123 N GLN A 17 -23.291 -23.316 -53.890 1.00 95.58 N +ATOM 124 CA GLN A 17 -24.528 -24.042 -54.158 1.00 96.10 C +ATOM 125 C GLN A 17 -25.041 -23.753 -55.566 1.00 94.89 C +ATOM 126 CB GLN A 17 -25.597 -23.684 -53.125 1.00 95.35 C +ATOM 127 O GLN A 17 -25.445 -24.668 -56.286 1.00 94.43 O +ATOM 128 CG GLN A 17 -25.373 -24.322 -51.761 1.00 91.57 C +ATOM 129 CD GLN A 17 -26.362 -23.838 -50.717 1.00 86.04 C +ATOM 130 NE2 GLN A 17 -26.203 -24.311 -49.486 1.00 89.32 N +ATOM 131 OE1 GLN A 17 -27.261 -23.045 -51.015 1.00 89.81 O +ATOM 132 N ILE A 18 -25.017 -22.561 -56.065 1.00 95.18 N +ATOM 133 CA ILE A 18 -25.450 -22.169 -57.402 1.00 95.80 C +ATOM 134 C ILE A 18 -24.495 -22.748 -58.444 1.00 93.86 C +ATOM 135 CB ILE A 18 -25.529 -20.633 -57.543 1.00 95.45 C +ATOM 136 O ILE A 18 -24.930 -23.355 -59.425 1.00 92.51 O +ATOM 137 CG1 ILE A 18 -26.599 -20.065 -56.604 1.00 93.13 C +ATOM 138 CG2 ILE A 18 -25.811 -20.238 -58.996 1.00 92.65 C +ATOM 139 CD1 ILE A 18 -26.481 -18.566 -56.365 1.00 91.99 C +ATOM 140 N GLN A 19 -23.123 -22.655 -58.230 1.00 95.08 N +ATOM 141 CA GLN A 19 -22.099 -23.208 -59.111 1.00 95.59 C +ATOM 142 C GLN A 19 -22.294 -24.708 -59.307 1.00 93.13 C +ATOM 143 CB GLN A 19 -20.703 -22.928 -58.553 1.00 95.26 C +ATOM 144 O GLN A 19 -22.355 -25.189 -60.440 1.00 92.01 O +ATOM 145 CG GLN A 19 -20.252 -21.483 -58.721 1.00 93.84 C +ATOM 146 CD GLN A 19 -18.913 -21.206 -58.063 1.00 90.06 C +ATOM 147 NE2 GLN A 19 -18.228 -20.167 -58.528 1.00 93.43 N +ATOM 148 OE1 GLN A 19 -18.498 -21.920 -57.145 1.00 92.89 O +ATOM 149 N ASN A 20 -22.598 -25.401 -58.236 1.00 95.17 N +ATOM 150 CA ASN A 20 -22.860 -26.836 -58.272 1.00 95.45 C +ATOM 151 C ASN A 20 -24.148 -27.152 -59.028 1.00 93.57 C +ATOM 152 CB ASN A 20 -22.923 -27.407 -56.853 1.00 94.89 C +ATOM 153 O ASN A 20 -24.282 -28.230 -59.611 1.00 92.43 O +ATOM 154 CG ASN A 20 -21.560 -27.489 -56.196 1.00 92.80 C +ATOM 155 ND2 ASN A 20 -21.541 -27.498 -54.868 1.00 93.48 N +ATOM 156 OD1 ASN A 20 -20.531 -27.542 -56.875 1.00 92.27 O +ATOM 157 N SER A 21 -25.032 -26.301 -59.133 1.00 95.76 N +ATOM 158 CA SER A 21 -26.311 -26.505 -59.804 1.00 95.59 C +ATOM 159 C SER A 21 -26.211 -26.190 -61.293 1.00 93.43 C +ATOM 160 CB SER A 21 -27.397 -25.639 -59.163 1.00 94.29 C +ATOM 161 O SER A 21 -27.018 -26.673 -62.090 1.00 91.29 O +ATOM 162 OG SER A 21 -27.349 -24.316 -59.669 1.00 81.94 O +ATOM 163 N ILE A 22 -25.259 -25.351 -61.725 1.00 95.40 N +ATOM 164 CA ILE A 22 -25.018 -24.983 -63.116 1.00 95.19 C +ATOM 165 C ILE A 22 -24.653 -26.226 -63.923 1.00 91.97 C +ATOM 166 CB ILE A 22 -23.903 -23.920 -63.234 1.00 94.49 C +ATOM 167 O ILE A 22 -25.180 -26.441 -65.017 1.00 89.71 O +ATOM 168 CG1 ILE A 22 -24.428 -22.545 -62.807 1.00 91.16 C +ATOM 169 CG2 ILE A 22 -23.349 -23.876 -64.661 1.00 90.73 C +ATOM 170 CD1 ILE A 22 -23.349 -21.475 -62.702 1.00 89.10 C +ATOM 171 N GLY A 23 -23.893 -27.167 -63.351 1.00 93.22 N +ATOM 172 CA GLY A 23 -23.477 -28.382 -64.034 1.00 92.20 C +ATOM 173 C GLY A 23 -24.639 -29.274 -64.428 1.00 91.12 C +ATOM 174 O GLY A 23 -24.483 -30.178 -65.252 1.00 89.00 O +ATOM 175 N LYS A 24 -25.777 -28.913 -63.934 1.00 91.48 N +ATOM 176 CA LYS A 24 -26.959 -29.740 -64.160 1.00 91.98 C +ATOM 177 C LYS A 24 -27.954 -29.037 -65.079 1.00 90.04 C +ATOM 178 CB LYS A 24 -27.631 -30.091 -62.831 1.00 90.15 C +ATOM 179 O LYS A 24 -29.052 -29.543 -65.316 1.00 88.83 O +ATOM 180 CG LYS A 24 -26.761 -30.922 -61.899 1.00 88.51 C +ATOM 181 CD LYS A 24 -27.499 -31.275 -60.614 1.00 85.75 C +ATOM 182 CE LYS A 24 -26.626 -32.098 -59.675 1.00 84.99 C +ATOM 183 NZ LYS A 24 -27.345 -32.446 -58.413 1.00 86.74 N +ATOM 184 N THR A 25 -27.659 -27.935 -65.543 1.00 89.22 N +ATOM 185 CA THR A 25 -28.598 -27.094 -66.277 1.00 91.42 C +ATOM 186 C THR A 25 -28.381 -27.225 -67.781 1.00 89.66 C +ATOM 187 CB THR A 25 -28.465 -25.616 -65.863 1.00 85.97 C +ATOM 188 O THR A 25 -27.312 -26.884 -68.292 1.00 87.18 O +ATOM 189 CG2 THR A 25 -29.499 -24.750 -66.575 1.00 69.25 C +ATOM 190 OG1 THR A 25 -28.655 -25.503 -64.448 1.00 61.49 O +ATOM 191 N THR A 26 -29.407 -27.388 -68.533 1.00 88.51 N +ATOM 192 CA THR A 26 -29.348 -27.553 -69.981 1.00 91.88 C +ATOM 193 C THR A 26 -29.900 -26.319 -70.689 1.00 88.70 C +ATOM 194 CB THR A 26 -30.129 -28.800 -70.433 1.00 82.91 C +ATOM 195 O THR A 26 -29.603 -26.086 -71.863 1.00 84.30 O +ATOM 196 CG2 THR A 26 -29.409 -30.080 -70.021 1.00 56.77 C +ATOM 197 OG1 THR A 26 -31.431 -28.784 -69.836 1.00 60.54 O +ATOM 198 N SER A 27 -30.642 -25.448 -70.136 1.00 95.99 N +ATOM 199 CA SER A 27 -31.297 -24.297 -70.750 1.00 96.48 C +ATOM 200 C SER A 27 -30.415 -23.055 -70.677 1.00 97.29 C +ATOM 201 CB SER A 27 -32.640 -24.020 -70.072 1.00 95.25 C +ATOM 202 O SER A 27 -30.031 -22.624 -69.588 1.00 97.34 O +ATOM 203 OG SER A 27 -33.203 -22.810 -70.549 1.00 87.23 O +ATOM 204 N PRO A 28 -30.238 -22.253 -71.794 1.00 95.28 N +ATOM 205 CA PRO A 28 -29.423 -21.037 -71.822 1.00 96.32 C +ATOM 206 C PRO A 28 -30.005 -19.916 -70.964 1.00 96.34 C +ATOM 207 CB PRO A 28 -29.424 -20.647 -73.303 1.00 95.25 C +ATOM 208 O PRO A 28 -29.257 -19.165 -70.332 1.00 96.26 O +ATOM 209 CG PRO A 28 -29.568 -21.940 -74.038 1.00 93.07 C +ATOM 210 CD PRO A 28 -30.487 -22.833 -73.256 1.00 91.22 C +ATOM 211 N SER A 29 -31.314 -19.848 -70.894 1.00 95.46 N +ATOM 212 CA SER A 29 -31.990 -18.846 -70.075 1.00 96.10 C +ATOM 213 C SER A 29 -31.713 -19.067 -68.591 1.00 96.29 C +ATOM 214 CB SER A 29 -33.497 -18.872 -70.330 1.00 94.89 C +ATOM 215 O SER A 29 -31.377 -18.125 -67.870 1.00 96.21 O +ATOM 216 OG SER A 29 -34.022 -20.171 -70.113 1.00 85.21 O +ATOM 217 N THR A 30 -31.768 -20.356 -68.146 1.00 94.09 N +ATOM 218 CA THR A 30 -31.486 -20.725 -66.764 1.00 95.03 C +ATOM 219 C THR A 30 -30.017 -20.481 -66.428 1.00 95.22 C +ATOM 220 CB THR A 30 -31.837 -22.200 -66.497 1.00 93.17 C +ATOM 221 O THR A 30 -29.695 -20.017 -65.332 1.00 95.04 O +ATOM 222 CG2 THR A 30 -31.739 -22.529 -65.011 1.00 81.01 C +ATOM 223 OG1 THR A 30 -33.175 -22.455 -66.944 1.00 85.41 O +ATOM 224 N LEU A 31 -29.104 -20.741 -67.402 1.00 93.50 N +ATOM 225 CA LEU A 31 -27.682 -20.459 -67.239 1.00 95.18 C +ATOM 226 C LEU A 31 -27.442 -18.964 -67.055 1.00 95.42 C +ATOM 227 CB LEU A 31 -26.892 -20.969 -68.447 1.00 93.09 C +ATOM 228 O LEU A 31 -26.792 -18.549 -66.092 1.00 95.43 O +ATOM 229 CG LEU A 31 -25.381 -20.730 -68.419 1.00 83.70 C +ATOM 230 CD1 LEU A 31 -24.751 -21.462 -67.239 1.00 76.66 C +ATOM 231 CD2 LEU A 31 -24.745 -21.174 -69.732 1.00 77.09 C +ATOM 232 N LYS A 32 -28.057 -18.114 -67.815 1.00 94.83 N +ATOM 233 CA LYS A 32 -27.950 -16.661 -67.720 1.00 95.47 C +ATOM 234 C LYS A 32 -28.449 -16.159 -66.368 1.00 95.37 C +ATOM 235 CB LYS A 32 -28.733 -15.990 -68.849 1.00 95.24 C +ATOM 236 O LYS A 32 -27.806 -15.320 -65.735 1.00 95.28 O +ATOM 237 CG LYS A 32 -28.611 -14.473 -68.872 1.00 94.61 C +ATOM 238 CD LYS A 32 -29.358 -13.869 -70.054 1.00 93.61 C +ATOM 239 CE LYS A 32 -29.215 -12.354 -70.092 1.00 93.40 C +ATOM 240 NZ LYS A 32 -29.923 -11.760 -71.265 1.00 92.90 N +ATOM 241 N THR A 33 -29.597 -16.699 -65.897 1.00 95.32 N +ATOM 242 CA THR A 33 -30.157 -16.342 -64.598 1.00 95.83 C +ATOM 243 C THR A 33 -29.200 -16.727 -63.473 1.00 96.11 C +ATOM 244 CB THR A 33 -31.520 -17.022 -64.372 1.00 94.96 C +ATOM 245 O THR A 33 -28.902 -15.911 -62.598 1.00 95.99 O +ATOM 246 CG2 THR A 33 -32.114 -16.627 -63.024 1.00 89.35 C +ATOM 247 OG1 THR A 33 -32.422 -16.629 -65.413 1.00 91.38 O +ATOM 248 N LYS A 34 -28.613 -17.879 -63.512 1.00 95.02 N +ATOM 249 CA LYS A 34 -27.691 -18.365 -62.488 1.00 96.15 C +ATOM 250 C LYS A 34 -26.398 -17.554 -62.484 1.00 96.09 C +ATOM 251 CB LYS A 34 -27.380 -19.846 -62.705 1.00 95.23 C +ATOM 252 O LYS A 34 -25.904 -17.170 -61.422 1.00 95.78 O +ATOM 253 CG LYS A 34 -28.507 -20.782 -62.293 1.00 90.95 C +ATOM 254 CD LYS A 34 -28.122 -22.242 -62.494 1.00 84.16 C +ATOM 255 CE LYS A 34 -29.210 -23.182 -61.991 1.00 85.43 C +ATOM 256 NZ LYS A 34 -28.774 -24.610 -62.039 1.00 85.72 N +ATOM 257 N LEU A 35 -25.884 -17.213 -63.638 1.00 94.89 N +ATOM 258 CA LEU A 35 -24.699 -16.371 -63.764 1.00 95.71 C +ATOM 259 C LEU A 35 -24.969 -14.970 -63.226 1.00 95.60 C +ATOM 260 CB LEU A 35 -24.251 -16.291 -65.226 1.00 95.02 C +ATOM 261 O LEU A 35 -24.153 -14.418 -62.483 1.00 95.35 O +ATOM 262 CG LEU A 35 -23.611 -17.552 -65.808 1.00 92.08 C +ATOM 263 CD1 LEU A 35 -23.400 -17.394 -67.310 1.00 89.15 C +ATOM 264 CD2 LEU A 35 -22.291 -17.856 -65.107 1.00 89.46 C +ATOM 265 N SER A 36 -26.147 -14.407 -63.528 1.00 96.26 N +ATOM 266 CA SER A 36 -26.564 -13.121 -62.976 1.00 96.43 C +ATOM 267 C SER A 36 -26.712 -13.193 -61.460 1.00 96.47 C +ATOM 268 CB SER A 36 -27.882 -12.669 -63.605 1.00 95.35 C +ATOM 269 O SER A 36 -26.376 -12.241 -60.753 1.00 96.16 O +ATOM 270 OG SER A 36 -28.262 -11.395 -63.115 1.00 75.14 O +ATOM 271 N GLU A 37 -27.161 -14.311 -60.898 1.00 95.86 N +ATOM 272 CA GLU A 37 -27.276 -14.527 -59.458 1.00 96.28 C +ATOM 273 C GLU A 37 -25.902 -14.627 -58.804 1.00 96.29 C +ATOM 274 CB GLU A 37 -28.090 -15.791 -59.168 1.00 95.13 C +ATOM 275 O GLU A 37 -25.651 -13.996 -57.775 1.00 95.88 O +ATOM 276 CG GLU A 37 -28.449 -15.967 -57.699 1.00 87.55 C +ATOM 277 CD GLU A 37 -29.296 -17.201 -57.433 1.00 80.60 C +ATOM 278 OE1 GLU A 37 -29.649 -17.916 -58.398 1.00 84.38 O +ATOM 279 OE2 GLU A 37 -29.609 -17.456 -56.248 1.00 82.86 O +ATOM 280 N ILE A 38 -24.911 -15.317 -59.354 1.00 96.02 N +ATOM 281 CA ILE A 38 -23.530 -15.381 -58.889 1.00 96.63 C +ATOM 282 C ILE A 38 -22.928 -13.978 -58.863 1.00 96.72 C +ATOM 283 CB ILE A 38 -22.676 -16.314 -59.778 1.00 95.83 C +ATOM 284 O ILE A 38 -22.491 -13.503 -57.813 1.00 96.55 O +ATOM 285 CG1 ILE A 38 -23.067 -17.778 -59.545 1.00 90.61 C +ATOM 286 CG2 ILE A 38 -21.184 -16.096 -59.512 1.00 90.03 C +ATOM 287 CD1 ILE A 38 -22.456 -18.748 -60.546 1.00 86.30 C +ATOM 288 N SER A 39 -23.057 -13.216 -59.953 1.00 96.72 N +ATOM 289 CA SER A 39 -22.520 -11.863 -60.051 1.00 96.97 C +ATOM 290 C SER A 39 -23.100 -10.958 -58.969 1.00 96.77 C +ATOM 291 CB SER A 39 -22.810 -11.271 -61.431 1.00 96.26 C +ATOM 292 O SER A 39 -22.369 -10.194 -58.335 1.00 96.38 O +ATOM 293 OG SER A 39 -22.337 -9.937 -61.516 1.00 83.50 O +ATOM 294 N ARG A 40 -24.426 -11.057 -58.668 1.00 97.10 N +ATOM 295 CA ARG A 40 -25.074 -10.312 -57.593 1.00 97.20 C +ATOM 296 C ARG A 40 -24.518 -10.720 -56.233 1.00 97.14 C +ATOM 297 CB ARG A 40 -26.588 -10.527 -57.626 1.00 95.96 C +ATOM 298 O ARG A 40 -24.287 -9.869 -55.371 1.00 96.83 O +ATOM 299 CG ARG A 40 -27.349 -9.710 -56.594 1.00 85.58 C +ATOM 300 CD ARG A 40 -28.853 -9.915 -56.710 1.00 79.04 C +ATOM 301 NE ARG A 40 -29.243 -11.270 -56.333 1.00 80.81 N +ATOM 302 NH1 ARG A 40 -31.513 -10.837 -56.323 1.00 74.27 N +ATOM 303 NH2 ARG A 40 -30.739 -12.934 -55.814 1.00 66.49 N +ATOM 304 CZ ARG A 40 -30.498 -11.677 -56.157 1.00 72.87 C +ATOM 305 N LYS A 41 -24.280 -11.983 -55.970 1.00 96.99 N +ATOM 306 CA LYS A 41 -23.755 -12.496 -54.708 1.00 97.31 C +ATOM 307 C LYS A 41 -22.282 -12.135 -54.539 1.00 97.03 C +ATOM 308 CB LYS A 41 -23.936 -14.012 -54.627 1.00 96.72 C +ATOM 309 O LYS A 41 -21.843 -11.793 -53.439 1.00 96.50 O +ATOM 310 CG LYS A 41 -25.383 -14.455 -54.471 1.00 93.29 C +ATOM 311 CD LYS A 41 -25.959 -14.020 -53.129 1.00 86.77 C +ATOM 312 CE LYS A 41 -27.416 -14.436 -52.984 1.00 86.52 C +ATOM 313 NZ LYS A 41 -28.091 -13.710 -51.867 1.00 85.66 N +ATOM 314 N GLU A 42 -21.544 -12.099 -55.572 1.00 96.61 N +ATOM 315 CA GLU A 42 -20.166 -11.619 -55.589 1.00 97.08 C +ATOM 316 C GLU A 42 -20.093 -10.135 -55.241 1.00 96.85 C +ATOM 317 CB GLU A 42 -19.526 -11.870 -56.957 1.00 96.65 C +ATOM 318 O GLU A 42 -19.303 -9.731 -54.385 1.00 96.59 O +ATOM 319 CG GLU A 42 -19.191 -13.331 -57.222 1.00 94.35 C +ATOM 320 CD GLU A 42 -18.665 -13.581 -58.626 1.00 90.00 C +ATOM 321 OE1 GLU A 42 -18.875 -12.725 -59.515 1.00 92.52 O +ATOM 322 OE2 GLU A 42 -18.039 -14.643 -58.839 1.00 92.34 O +ATOM 323 N GLN A 43 -20.976 -9.306 -55.818 1.00 96.88 N +ATOM 324 CA GLN A 43 -21.081 -7.893 -55.470 1.00 97.11 C +ATOM 325 C GLN A 43 -21.473 -7.716 -54.006 1.00 97.03 C +ATOM 326 CB GLN A 43 -22.095 -7.191 -56.374 1.00 96.45 C +ATOM 327 O GLN A 43 -20.965 -6.822 -53.325 1.00 96.75 O +ATOM 328 CG GLN A 43 -21.613 -6.999 -57.805 1.00 92.39 C +ATOM 329 CD GLN A 43 -22.685 -6.426 -58.714 1.00 87.83 C +ATOM 330 NE2 GLN A 43 -22.408 -6.397 -60.013 1.00 89.79 N +ATOM 331 OE1 GLN A 43 -23.753 -6.013 -58.251 1.00 90.18 O +ATOM 332 N GLU A 44 -22.366 -8.529 -53.512 1.00 96.13 N +ATOM 333 CA GLU A 44 -22.753 -8.540 -52.105 1.00 96.28 C +ATOM 334 C GLU A 44 -21.578 -8.930 -51.213 1.00 96.02 C +ATOM 335 CB GLU A 44 -23.926 -9.497 -51.878 1.00 95.03 C +ATOM 336 O GLU A 44 -21.299 -8.259 -50.216 1.00 95.13 O +ATOM 337 CG GLU A 44 -24.520 -9.420 -50.479 1.00 86.00 C +ATOM 338 CD GLU A 44 -25.741 -10.309 -50.296 1.00 78.11 C +ATOM 339 OE1 GLU A 44 -26.120 -11.023 -51.252 1.00 82.56 O +ATOM 340 OE2 GLU A 44 -26.322 -10.290 -49.188 1.00 80.75 O +ATOM 341 N ASN A 45 -20.785 -9.937 -51.540 1.00 96.08 N +ATOM 342 CA ASN A 45 -19.577 -10.364 -50.842 1.00 96.58 C +ATOM 343 C ASN A 45 -18.518 -9.266 -50.829 1.00 96.49 C +ATOM 344 CB ASN A 45 -19.013 -11.638 -51.475 1.00 95.71 C +ATOM 345 O ASN A 45 -17.946 -8.962 -49.781 1.00 96.03 O +ATOM 346 CG ASN A 45 -17.865 -12.227 -50.679 1.00 89.67 C +ATOM 347 ND2 ASN A 45 -16.740 -12.460 -51.344 1.00 88.17 N +ATOM 348 OD1 ASN A 45 -17.989 -12.471 -49.476 1.00 84.43 O +ATOM 349 N ALA A 46 -18.321 -8.603 -51.914 1.00 96.54 N +ATOM 350 CA ALA A 46 -17.378 -7.493 -52.026 1.00 96.77 C +ATOM 351 C ALA A 46 -17.757 -6.354 -51.085 1.00 96.41 C +ATOM 352 CB ALA A 46 -17.317 -6.991 -53.467 1.00 96.01 C +ATOM 353 O ALA A 46 -16.893 -5.776 -50.421 1.00 95.93 O +ATOM 354 N ARG A 47 -19.034 -6.039 -50.947 1.00 96.35 N +ATOM 355 CA ARG A 47 -19.539 -5.044 -50.007 1.00 96.51 C +ATOM 356 C ARG A 47 -19.257 -5.459 -48.567 1.00 96.25 C +ATOM 357 CB ARG A 47 -21.041 -4.830 -50.206 1.00 95.43 C +ATOM 358 O ARG A 47 -18.889 -4.626 -47.736 1.00 95.77 O +ATOM 359 CG ARG A 47 -21.394 -4.095 -51.489 1.00 88.91 C +ATOM 360 CD ARG A 47 -22.899 -4.043 -51.714 1.00 84.27 C +ATOM 361 NE ARG A 47 -23.233 -3.404 -52.983 1.00 85.66 N +ATOM 362 NH1 ARG A 47 -25.474 -3.958 -52.910 1.00 79.80 N +ATOM 363 NH2 ARG A 47 -24.640 -2.768 -54.683 1.00 75.02 N +ATOM 364 CZ ARG A 47 -24.448 -3.378 -53.523 1.00 79.34 C +ATOM 365 N ILE A 48 -19.397 -6.694 -48.173 1.00 96.12 N +ATOM 366 CA ILE A 48 -19.120 -7.213 -46.838 1.00 96.36 C +ATOM 367 C ILE A 48 -17.620 -7.149 -46.560 1.00 95.91 C +ATOM 368 CB ILE A 48 -19.635 -8.661 -46.676 1.00 95.60 C +ATOM 369 O ILE A 48 -17.199 -6.702 -45.491 1.00 94.99 O +ATOM 370 CG1 ILE A 48 -21.165 -8.676 -46.577 1.00 90.69 C +ATOM 371 CG2 ILE A 48 -19.000 -9.325 -45.451 1.00 89.88 C +ATOM 372 CD1 ILE A 48 -21.778 -10.065 -46.681 1.00 86.47 C +ATOM 373 N GLN A 49 -16.778 -7.507 -47.540 1.00 95.88 N +ATOM 374 CA GLN A 49 -15.327 -7.427 -47.410 1.00 96.19 C +ATOM 375 C GLN A 49 -14.872 -5.987 -47.193 1.00 96.05 C +ATOM 376 CB GLN A 49 -14.644 -8.013 -48.647 1.00 94.89 C +ATOM 377 O GLN A 49 -14.047 -5.717 -46.317 1.00 95.64 O +ATOM 378 CG GLN A 49 -14.798 -9.522 -48.779 1.00 85.81 C +ATOM 379 CD GLN A 49 -14.213 -10.277 -47.601 1.00 78.35 C +ATOM 380 NE2 GLN A 49 -14.736 -11.471 -47.343 1.00 79.43 N +ATOM 381 OE1 GLN A 49 -13.298 -9.792 -46.928 1.00 83.25 O +ATOM 382 N SER A 50 -15.478 -5.050 -47.916 1.00 96.24 N +ATOM 383 CA SER A 50 -15.235 -3.628 -47.698 1.00 96.30 C +ATOM 384 C SER A 50 -15.614 -3.213 -46.281 1.00 96.19 C +ATOM 385 CB SER A 50 -16.017 -2.789 -48.710 1.00 95.59 C +ATOM 386 O SER A 50 -14.807 -2.615 -45.566 1.00 95.75 O +ATOM 387 OG SER A 50 -15.624 -1.429 -48.647 1.00 87.48 O +ATOM 388 N LYS A 51 -16.731 -3.620 -45.801 1.00 95.87 N +ATOM 389 CA LYS A 51 -17.202 -3.320 -44.452 1.00 95.85 C +ATOM 390 C LYS A 51 -16.288 -3.942 -43.400 1.00 95.33 C +ATOM 391 CB LYS A 51 -18.636 -3.816 -44.260 1.00 94.30 C +ATOM 392 O LYS A 51 -15.996 -3.319 -42.377 1.00 94.25 O +ATOM 393 CG LYS A 51 -19.686 -2.952 -44.942 1.00 83.70 C +ATOM 394 CD LYS A 51 -21.092 -3.490 -44.706 1.00 76.57 C +ATOM 395 CE LYS A 51 -22.144 -2.624 -45.384 1.00 72.67 C +ATOM 396 NZ LYS A 51 -23.529 -3.070 -45.047 1.00 70.66 N +ATOM 397 N LEU A 52 -15.794 -5.154 -43.560 1.00 95.45 N +ATOM 398 CA LEU A 52 -14.854 -5.824 -42.668 1.00 95.76 C +ATOM 399 C LEU A 52 -13.527 -5.074 -42.615 1.00 95.26 C +ATOM 400 CB LEU A 52 -14.621 -7.267 -43.120 1.00 94.91 C +ATOM 401 O LEU A 52 -12.959 -4.884 -41.537 1.00 94.53 O +ATOM 402 CG LEU A 52 -15.708 -8.278 -42.751 1.00 90.72 C +ATOM 403 CD1 LEU A 52 -15.458 -9.607 -43.456 1.00 85.36 C +ATOM 404 CD2 LEU A 52 -15.766 -8.472 -41.239 1.00 85.79 C +ATOM 405 N SER A 53 -13.086 -4.608 -43.760 1.00 96.00 N +ATOM 406 CA SER A 53 -11.886 -3.782 -43.844 1.00 96.20 C +ATOM 407 C SER A 53 -12.053 -2.484 -43.061 1.00 95.98 C +ATOM 408 CB SER A 53 -11.553 -3.467 -45.302 1.00 95.30 C +ATOM 409 O SER A 53 -11.191 -2.123 -42.257 1.00 95.56 O +ATOM 410 OG SER A 53 -10.354 -2.716 -45.394 1.00 81.91 O +ATOM 411 N ASP A 54 -13.197 -1.857 -43.180 1.00 96.22 N +ATOM 412 CA ASP A 54 -13.503 -0.619 -42.470 1.00 96.42 C +ATOM 413 C ASP A 54 -13.592 -0.856 -40.965 1.00 96.19 C +ATOM 414 CB ASP A 54 -14.811 -0.014 -42.985 1.00 95.54 C +ATOM 415 O ASP A 54 -13.075 -0.064 -40.174 1.00 95.75 O +ATOM 416 CG ASP A 54 -14.706 0.502 -44.409 1.00 89.39 C +ATOM 417 OD1 ASP A 54 -13.582 0.801 -44.868 1.00 84.77 O +ATOM 418 OD2 ASP A 54 -15.757 0.615 -45.077 1.00 87.85 O +ATOM 419 N LEU A 55 -14.200 -1.904 -40.528 1.00 95.31 N +ATOM 420 CA LEU A 55 -14.305 -2.290 -39.125 1.00 95.64 C +ATOM 421 C LEU A 55 -12.933 -2.625 -38.550 1.00 94.73 C +ATOM 422 CB LEU A 55 -15.244 -3.489 -38.967 1.00 95.15 C +ATOM 423 O LEU A 55 -12.634 -2.280 -37.404 1.00 93.72 O +ATOM 424 CG LEU A 55 -16.740 -3.200 -39.102 1.00 93.39 C +ATOM 425 CD1 LEU A 55 -17.528 -4.504 -39.163 1.00 90.51 C +ATOM 426 CD2 LEU A 55 -17.223 -2.331 -37.945 1.00 90.69 C +ATOM 427 N GLN A 56 -12.065 -3.269 -39.301 1.00 95.79 N +ATOM 428 CA GLN A 56 -10.693 -3.562 -38.901 1.00 96.05 C +ATOM 429 C GLN A 56 -9.884 -2.280 -38.726 1.00 96.03 C +ATOM 430 CB GLN A 56 -10.017 -4.473 -39.927 1.00 94.28 C +ATOM 431 O GLN A 56 -9.192 -2.108 -37.721 1.00 95.74 O +ATOM 432 CG GLN A 56 -8.616 -4.917 -39.528 1.00 80.19 C +ATOM 433 CD GLN A 56 -8.046 -5.969 -40.461 1.00 72.25 C +ATOM 434 NE2 GLN A 56 -6.850 -6.454 -40.146 1.00 68.48 N +ATOM 435 OE1 GLN A 56 -8.675 -6.342 -41.456 1.00 76.66 O +ATOM 436 N LYS A 57 -10.032 -1.327 -39.666 1.00 96.24 N +ATOM 437 CA LYS A 57 -9.418 -0.008 -39.541 1.00 96.39 C +ATOM 438 C LYS A 57 -9.895 0.703 -38.278 1.00 96.30 C +ATOM 439 CB LYS A 57 -9.726 0.846 -40.772 1.00 95.62 C +ATOM 440 O LYS A 57 -9.083 1.137 -37.459 1.00 95.97 O +ATOM 441 CG LYS A 57 -8.976 0.418 -42.025 1.00 90.95 C +ATOM 442 CD LYS A 57 -9.422 1.217 -43.243 1.00 86.44 C +ATOM 443 CE LYS A 57 -8.767 0.705 -44.519 1.00 84.00 C +ATOM 444 NZ LYS A 57 -9.336 1.360 -45.734 1.00 83.46 N +ATOM 445 N LYS A 58 -11.159 0.706 -38.027 1.00 95.56 N +ATOM 446 CA LYS A 58 -11.746 1.316 -36.837 1.00 95.65 C +ATOM 447 C LYS A 58 -11.227 0.650 -35.565 1.00 95.17 C +ATOM 448 CB LYS A 58 -13.272 1.231 -36.887 1.00 94.88 C +ATOM 449 O LYS A 58 -10.963 1.324 -34.568 1.00 94.38 O +ATOM 450 CG LYS A 58 -13.915 2.224 -37.844 1.00 91.08 C +ATOM 451 CD LYS A 58 -15.429 2.055 -37.891 1.00 87.04 C +ATOM 452 CE LYS A 58 -16.072 3.037 -38.860 1.00 85.20 C +ATOM 453 NZ LYS A 58 -17.561 2.915 -38.866 1.00 84.49 N +ATOM 454 N LYS A 59 -11.078 -0.664 -35.551 1.00 94.76 N +ATOM 455 CA LYS A 59 -10.503 -1.386 -34.420 1.00 94.99 C +ATOM 456 C LYS A 59 -9.065 -0.945 -34.160 1.00 94.66 C +ATOM 457 CB LYS A 59 -10.553 -2.895 -34.664 1.00 94.52 C +ATOM 458 O LYS A 59 -8.711 -0.594 -33.033 1.00 94.02 O +ATOM 459 CG LYS A 59 -9.996 -3.726 -33.517 1.00 92.70 C +ATOM 460 CD LYS A 59 -10.033 -5.215 -33.837 1.00 90.07 C +ATOM 461 CE LYS A 59 -9.335 -6.036 -32.761 1.00 89.44 C +ATOM 462 NZ LYS A 59 -9.251 -7.480 -33.133 1.00 88.61 N +ATOM 463 N ILE A 60 -8.218 -0.895 -35.148 1.00 95.02 N +ATOM 464 CA ILE A 60 -6.826 -0.467 -35.057 1.00 95.37 C +ATOM 465 C ILE A 60 -6.760 0.966 -34.533 1.00 95.03 C +ATOM 466 CB ILE A 60 -6.113 -0.571 -36.424 1.00 95.08 C +ATOM 467 O ILE A 60 -5.941 1.279 -33.666 1.00 94.59 O +ATOM 468 CG1 ILE A 60 -5.923 -2.040 -36.817 1.00 93.96 C +ATOM 469 CG2 ILE A 60 -4.769 0.164 -36.389 1.00 93.33 C +ATOM 470 CD1 ILE A 60 -5.560 -2.248 -38.281 1.00 92.00 C +ATOM 471 N ASP A 61 -7.642 1.816 -34.976 1.00 95.31 N +ATOM 472 CA ASP A 61 -7.714 3.204 -34.530 1.00 95.50 C +ATOM 473 C ASP A 61 -8.068 3.287 -33.046 1.00 95.28 C +ATOM 474 CB ASP A 61 -8.738 3.982 -35.359 1.00 94.45 C +ATOM 475 O ASP A 61 -7.479 4.077 -32.306 1.00 94.68 O +ATOM 476 CG ASP A 61 -8.294 4.203 -36.794 1.00 85.79 C +ATOM 477 OD1 ASP A 61 -7.084 4.086 -37.083 1.00 77.26 O +ATOM 478 OD2 ASP A 61 -9.162 4.501 -37.643 1.00 83.81 O +ATOM 479 N ILE A 62 -9.013 2.476 -32.558 1.00 95.04 N +ATOM 480 CA ILE A 62 -9.424 2.407 -31.160 1.00 95.21 C +ATOM 481 C ILE A 62 -8.274 1.869 -30.311 1.00 94.71 C +ATOM 482 CB ILE A 62 -10.679 1.524 -30.983 1.00 94.66 C +ATOM 483 O ILE A 62 -7.915 2.465 -29.293 1.00 93.81 O +ATOM 484 CG1 ILE A 62 -11.916 2.237 -31.541 1.00 92.70 C +ATOM 485 CG2 ILE A 62 -10.877 1.156 -29.510 1.00 91.83 C +ATOM 486 CD1 ILE A 62 -13.115 1.322 -31.753 1.00 90.14 C +ATOM 487 N ASP A 63 -7.633 0.793 -30.766 1.00 94.45 N +ATOM 488 CA ASP A 63 -6.494 0.195 -30.076 1.00 95.05 C +ATOM 489 C ASP A 63 -5.343 1.191 -29.954 1.00 94.79 C +ATOM 490 CB ASP A 63 -6.025 -1.065 -30.805 1.00 94.29 C +ATOM 491 O ASP A 63 -4.759 1.344 -28.879 1.00 94.30 O +ATOM 492 CG ASP A 63 -7.029 -2.202 -30.729 1.00 90.20 C +ATOM 493 OD1 ASP A 63 -7.873 -2.211 -29.807 1.00 86.84 O +ATOM 494 OD2 ASP A 63 -6.975 -3.099 -31.598 1.00 89.47 O +ATOM 495 N ASN A 64 -5.040 1.952 -30.978 1.00 95.29 N +ATOM 496 CA ASN A 64 -4.029 3.004 -31.000 1.00 95.60 C +ATOM 497 C ASN A 64 -4.386 4.145 -30.051 1.00 95.10 C +ATOM 498 CB ASN A 64 -3.839 3.536 -32.422 1.00 95.33 C +ATOM 499 O ASN A 64 -3.513 4.688 -29.371 1.00 94.58 O +ATOM 500 CG ASN A 64 -3.028 2.598 -33.294 1.00 93.33 C +ATOM 501 ND2 ASN A 64 -3.295 2.617 -34.595 1.00 92.80 N +ATOM 502 OD1 ASN A 64 -2.170 1.861 -32.802 1.00 90.86 O +ATOM 503 N LYS A 65 -5.648 4.525 -29.986 1.00 95.65 N +ATOM 504 CA LYS A 65 -6.119 5.541 -29.050 1.00 95.75 C +ATOM 505 C LYS A 65 -5.958 5.076 -27.605 1.00 95.07 C +ATOM 506 CB LYS A 65 -7.582 5.891 -29.328 1.00 94.91 C +ATOM 507 O LYS A 65 -5.384 5.787 -26.778 1.00 94.04 O +ATOM 508 CG LYS A 65 -7.783 6.799 -30.532 1.00 89.92 C +ATOM 509 CD LYS A 65 -9.261 7.029 -30.818 1.00 83.99 C +ATOM 510 CE LYS A 65 -9.464 7.901 -32.050 1.00 83.61 C +ATOM 511 NZ LYS A 65 -10.912 8.145 -32.323 1.00 82.67 N +ATOM 512 N LEU A 66 -6.284 3.861 -27.325 1.00 95.32 N +ATOM 513 CA LEU A 66 -6.163 3.262 -26.001 1.00 95.36 C +ATOM 514 C LEU A 66 -4.700 3.172 -25.577 1.00 94.75 C +ATOM 515 CB LEU A 66 -6.798 1.869 -25.982 1.00 93.59 C +ATOM 516 O LEU A 66 -4.361 3.487 -24.434 1.00 93.73 O +ATOM 517 CG LEU A 66 -8.326 1.821 -25.969 1.00 81.62 C +ATOM 518 CD1 LEU A 66 -8.814 0.396 -26.206 1.00 71.66 C +ATOM 519 CD2 LEU A 66 -8.867 2.364 -24.651 1.00 72.48 C +ATOM 520 N LEU A 67 -3.864 2.800 -26.467 1.00 95.73 N +ATOM 521 CA LEU A 67 -2.429 2.737 -26.215 1.00 95.83 C +ATOM 522 C LEU A 67 -1.873 4.120 -25.890 1.00 95.28 C +ATOM 523 CB LEU A 67 -1.697 2.152 -27.426 1.00 94.67 C +ATOM 524 O LEU A 67 -1.119 4.280 -24.927 1.00 94.68 O +ATOM 525 CG LEU A 67 -0.182 1.995 -27.291 1.00 85.77 C +ATOM 526 CD1 LEU A 67 0.150 0.946 -26.235 1.00 77.20 C +ATOM 527 CD2 LEU A 67 0.439 1.624 -28.634 1.00 77.66 C +ATOM 528 N LYS A 68 -2.257 5.152 -26.616 1.00 96.25 N +ATOM 529 CA LYS A 68 -1.836 6.531 -26.383 1.00 96.33 C +ATOM 530 C LYS A 68 -2.338 7.038 -25.034 1.00 95.80 C +ATOM 531 CB LYS A 68 -2.337 7.442 -27.504 1.00 95.46 C +ATOM 532 O LYS A 68 -1.589 7.667 -24.283 1.00 95.08 O +ATOM 533 CG LYS A 68 -1.523 7.350 -28.787 1.00 88.93 C +ATOM 534 CD LYS A 68 -2.121 8.213 -29.891 1.00 81.58 C +ATOM 535 CE LYS A 68 -1.317 8.109 -31.180 1.00 80.05 C +ATOM 536 NZ LYS A 68 -1.825 9.045 -32.227 1.00 80.25 N +ATOM 537 N GLU A 69 -3.563 6.722 -24.678 1.00 95.46 N +ATOM 538 CA GLU A 69 -4.148 7.082 -23.390 1.00 95.46 C +ATOM 539 C GLU A 69 -3.394 6.424 -22.238 1.00 94.90 C +ATOM 540 CB GLU A 69 -5.627 6.691 -23.343 1.00 93.90 C +ATOM 541 O GLU A 69 -2.969 7.101 -21.300 1.00 93.67 O +ATOM 542 CG GLU A 69 -6.539 7.637 -24.110 1.00 82.76 C +ATOM 543 CD GLU A 69 -7.987 7.176 -24.148 1.00 73.94 C +ATOM 544 OE1 GLU A 69 -8.308 6.133 -23.534 1.00 79.28 O +ATOM 545 OE2 GLU A 69 -8.807 7.862 -24.798 1.00 76.49 O +ATOM 546 N LYS A 70 -3.057 5.143 -22.366 1.00 93.74 N +ATOM 547 CA LYS A 70 -2.261 4.406 -21.389 1.00 93.87 C +ATOM 548 C LYS A 70 -0.871 5.016 -21.240 1.00 93.01 C +ATOM 549 CB LYS A 70 -2.147 2.934 -21.789 1.00 91.56 C +ATOM 550 O LYS A 70 -0.367 5.160 -20.124 1.00 92.01 O +ATOM 551 CG LYS A 70 -1.463 2.061 -20.748 1.00 78.61 C +ATOM 552 CD LYS A 70 -1.505 0.589 -21.138 1.00 71.86 C +ATOM 553 CE LYS A 70 -0.808 -0.285 -20.104 1.00 68.73 C +ATOM 554 NZ LYS A 70 -0.866 -1.731 -20.472 1.00 67.71 N +ATOM 555 N GLN A 71 -0.227 5.406 -22.294 1.00 94.90 N +ATOM 556 CA GLN A 71 1.082 6.052 -22.288 1.00 95.07 C +ATOM 557 C GLN A 71 1.021 7.412 -21.599 1.00 94.32 C +ATOM 558 CB GLN A 71 1.610 6.208 -23.714 1.00 94.78 C +ATOM 559 O GLN A 71 1.942 7.787 -20.872 1.00 93.60 O +ATOM 560 CG GLN A 71 2.160 4.920 -24.311 1.00 92.51 C +ATOM 561 CD GLN A 71 2.605 5.084 -25.753 1.00 88.49 C +ATOM 562 NE2 GLN A 71 3.203 4.037 -26.311 1.00 91.12 N +ATOM 563 OE1 GLN A 71 2.411 6.142 -26.359 1.00 91.01 O +ATOM 564 N ASN A 72 -0.035 8.182 -21.822 1.00 94.82 N +ATOM 565 CA ASN A 72 -0.242 9.472 -21.171 1.00 95.17 C +ATOM 566 C ASN A 72 -0.456 9.314 -19.669 1.00 94.41 C +ATOM 567 CB ASN A 72 -1.426 10.207 -21.802 1.00 94.83 C +ATOM 568 O ASN A 72 0.195 9.990 -18.870 1.00 93.50 O +ATOM 569 CG ASN A 72 -1.113 10.740 -23.186 1.00 93.13 C +ATOM 570 ND2 ASN A 72 -2.150 11.102 -23.931 1.00 93.12 N +ATOM 571 OD1 ASN A 72 0.052 10.824 -23.584 1.00 90.97 O +ATOM 572 N LEU A 73 -1.206 8.334 -19.237 1.00 94.33 N +ATOM 573 CA LEU A 73 -1.442 8.034 -17.829 1.00 94.52 C +ATOM 574 C LEU A 73 -0.139 7.669 -17.125 1.00 93.76 C +ATOM 575 CB LEU A 73 -2.450 6.890 -17.686 1.00 93.10 C +ATOM 576 O LEU A 73 0.170 8.211 -16.061 1.00 92.43 O +ATOM 577 CG LEU A 73 -3.908 7.229 -18.000 1.00 84.91 C +ATOM 578 CD1 LEU A 73 -4.743 5.955 -18.076 1.00 76.21 C +ATOM 579 CD2 LEU A 73 -4.473 8.183 -16.953 1.00 77.44 C +ATOM 580 N ILE A 74 0.706 6.850 -17.746 1.00 93.06 N +ATOM 581 CA ILE A 74 2.008 6.466 -17.213 1.00 93.60 C +ATOM 582 C ILE A 74 2.905 7.697 -17.103 1.00 92.90 C +ATOM 583 CB ILE A 74 2.683 5.388 -18.091 1.00 93.04 C +ATOM 584 O ILE A 74 3.646 7.848 -16.129 1.00 92.07 O +ATOM 585 CG1 ILE A 74 1.948 4.050 -17.952 1.00 89.90 C +ATOM 586 CG2 ILE A 74 4.162 5.242 -17.725 1.00 87.91 C +ATOM 587 CD1 ILE A 74 2.323 3.025 -19.014 1.00 87.73 C +ATOM 588 N LYS A 75 2.892 8.612 -18.055 1.00 93.95 N +ATOM 589 CA LYS A 75 3.660 9.853 -18.025 1.00 94.12 C +ATOM 590 C LYS A 75 3.199 10.757 -16.885 1.00 93.11 C +ATOM 591 CB LYS A 75 3.542 10.590 -19.359 1.00 93.37 C +ATOM 592 O LYS A 75 4.022 11.346 -16.181 1.00 91.98 O +ATOM 593 CG LYS A 75 4.391 9.994 -20.473 1.00 88.76 C +ATOM 594 CD LYS A 75 4.115 10.670 -21.809 1.00 83.39 C +ATOM 595 CE LYS A 75 4.893 10.013 -22.941 1.00 82.65 C +ATOM 596 NZ LYS A 75 4.552 10.608 -24.267 1.00 81.78 N +ATOM 597 N GLU A 76 1.892 10.888 -16.697 1.00 93.99 N +ATOM 598 CA GLU A 76 1.291 11.672 -15.622 1.00 94.32 C +ATOM 599 C GLU A 76 1.668 11.113 -14.253 1.00 93.30 C +ATOM 600 CB GLU A 76 -0.232 11.713 -15.772 1.00 93.36 C +ATOM 601 O GLU A 76 2.171 11.843 -13.396 1.00 91.71 O +ATOM 602 CG GLU A 76 -0.716 12.627 -16.888 1.00 88.86 C +ATOM 603 CD GLU A 76 -2.217 12.548 -17.121 1.00 82.15 C +ATOM 604 OE1 GLU A 76 -2.919 11.877 -16.330 1.00 87.18 O +ATOM 605 OE2 GLU A 76 -2.694 13.160 -18.102 1.00 87.16 O +ATOM 606 N GLU A 77 1.643 9.816 -14.086 1.00 92.47 N +ATOM 607 CA GLU A 77 2.055 9.136 -12.861 1.00 92.84 C +ATOM 608 C GLU A 77 3.527 9.393 -12.555 1.00 92.01 C +ATOM 609 CB GLU A 77 1.795 7.631 -12.968 1.00 90.82 C +ATOM 610 O GLU A 77 3.885 9.706 -11.418 1.00 90.67 O +ATOM 611 CG GLU A 77 1.978 6.880 -11.657 1.00 80.40 C +ATOM 612 CD GLU A 77 1.873 5.371 -11.810 1.00 73.44 C +ATOM 613 OE1 GLU A 77 1.490 4.897 -12.904 1.00 78.27 O +ATOM 614 OE2 GLU A 77 2.175 4.658 -10.828 1.00 74.77 O +ATOM 615 N ILE A 78 4.417 9.303 -13.518 1.00 92.94 N +ATOM 616 CA ILE A 78 5.846 9.557 -13.368 1.00 93.41 C +ATOM 617 C ILE A 78 6.073 11.015 -12.977 1.00 92.39 C +ATOM 618 CB ILE A 78 6.618 9.223 -14.664 1.00 93.26 C +ATOM 619 O ILE A 78 6.950 11.318 -12.165 1.00 91.60 O +ATOM 620 CG1 ILE A 78 6.704 7.705 -14.859 1.00 91.79 C +ATOM 621 CG2 ILE A 78 8.015 9.851 -14.637 1.00 90.56 C +ATOM 622 CD1 ILE A 78 7.161 7.283 -16.248 1.00 89.88 C +ATOM 623 N LEU A 79 5.339 11.972 -13.526 1.00 94.10 N +ATOM 624 CA LEU A 79 5.462 13.397 -13.236 1.00 94.31 C +ATOM 625 C LEU A 79 4.995 13.705 -11.817 1.00 92.74 C +ATOM 626 CB LEU A 79 4.655 14.220 -14.242 1.00 92.80 C +ATOM 627 O LEU A 79 5.683 14.405 -11.071 1.00 90.97 O +ATOM 628 CG LEU A 79 5.282 14.407 -15.624 1.00 84.22 C +ATOM 629 CD1 LEU A 79 4.255 14.972 -16.600 1.00 75.92 C +ATOM 630 CD2 LEU A 79 6.504 15.315 -15.539 1.00 76.78 C +ATOM 631 N GLU A 80 3.836 13.112 -11.355 1.00 93.99 N +ATOM 632 CA GLU A 80 3.299 13.282 -10.009 1.00 94.00 C +ATOM 633 C GLU A 80 4.239 12.693 -8.961 1.00 92.45 C +ATOM 634 CB GLU A 80 1.915 12.638 -9.896 1.00 91.65 C +ATOM 635 O GLU A 80 4.574 13.356 -7.977 1.00 90.14 O +ATOM 636 CG GLU A 80 0.805 13.445 -10.553 1.00 79.98 C +ATOM 637 CD GLU A 80 -0.581 12.874 -10.303 1.00 72.45 C +ATOM 638 OE1 GLU A 80 -0.688 11.694 -9.898 1.00 77.42 O +ATOM 639 OE2 GLU A 80 -1.569 13.612 -10.515 1.00 75.19 O +ATOM 640 N ARG A 81 4.864 11.539 -9.229 1.00 91.41 N +ATOM 641 CA ARG A 81 5.870 10.940 -8.358 1.00 91.98 C +ATOM 642 C ARG A 81 7.088 11.848 -8.223 1.00 90.84 C +ATOM 643 CB ARG A 81 6.293 9.569 -8.888 1.00 89.36 C +ATOM 644 O ARG A 81 7.595 12.056 -7.119 1.00 90.03 O +ATOM 645 CG ARG A 81 5.280 8.467 -8.626 1.00 77.98 C +ATOM 646 CD ARG A 81 5.748 7.127 -9.176 1.00 72.63 C +ATOM 647 NE ARG A 81 4.720 6.099 -9.039 1.00 74.91 N +ATOM 648 NH1 ARG A 81 6.153 4.325 -9.409 1.00 66.66 N +ATOM 649 NH2 ARG A 81 3.929 3.943 -9.008 1.00 58.35 N +ATOM 650 CZ ARG A 81 4.936 4.791 -9.152 1.00 70.41 C +ATOM 651 N LYS A 82 7.561 12.462 -9.303 1.00 92.99 N +ATOM 652 CA LYS A 82 8.684 13.395 -9.283 1.00 93.42 C +ATOM 653 C LYS A 82 8.341 14.650 -8.485 1.00 91.91 C +ATOM 654 CB LYS A 82 9.092 13.775 -10.707 1.00 92.50 C +ATOM 655 O LYS A 82 9.183 15.176 -7.754 1.00 91.05 O +ATOM 656 CG LYS A 82 9.949 12.729 -11.406 1.00 86.75 C +ATOM 657 CD LYS A 82 10.285 13.143 -12.832 1.00 80.68 C +ATOM 658 CE LYS A 82 11.167 12.112 -13.522 1.00 81.50 C +ATOM 659 NZ LYS A 82 11.537 12.535 -14.906 1.00 81.88 N +ATOM 660 N LYS A 83 7.096 15.188 -8.615 1.00 93.88 N +ATOM 661 CA LYS A 83 6.620 16.318 -7.823 1.00 94.02 C +ATOM 662 C LYS A 83 6.630 15.989 -6.333 1.00 92.04 C +ATOM 663 CB LYS A 83 5.211 16.725 -8.260 1.00 92.77 C +ATOM 664 O LYS A 83 7.155 16.758 -5.525 1.00 89.98 O +ATOM 665 CG LYS A 83 5.163 17.453 -9.595 1.00 87.01 C +ATOM 666 CD LYS A 83 3.730 17.707 -10.042 1.00 80.48 C +ATOM 667 CE LYS A 83 3.678 18.332 -11.429 1.00 81.27 C +ATOM 668 NZ LYS A 83 2.279 18.424 -11.944 1.00 80.86 N +ATOM 669 N LEU A 84 6.142 14.823 -5.974 1.00 91.81 N +ATOM 670 CA LEU A 84 6.088 14.363 -4.590 1.00 91.96 C +ATOM 671 C LEU A 84 7.492 14.206 -4.015 1.00 90.06 C +ATOM 672 CB LEU A 84 5.333 13.035 -4.495 1.00 89.11 C +ATOM 673 O LEU A 84 7.767 14.664 -2.904 1.00 87.51 O +ATOM 674 CG LEU A 84 5.127 12.471 -3.088 1.00 78.07 C +ATOM 675 CD1 LEU A 84 4.194 13.373 -2.287 1.00 70.18 C +ATOM 676 CD2 LEU A 84 4.578 11.050 -3.157 1.00 71.48 C +ATOM 677 N GLU A 85 8.408 13.673 -4.777 1.00 90.79 N +ATOM 678 CA GLU A 85 9.808 13.542 -4.385 1.00 91.47 C +ATOM 679 C GLU A 85 10.434 14.905 -4.109 1.00 90.89 C +ATOM 680 CB GLU A 85 10.603 12.808 -5.468 1.00 89.60 C +ATOM 681 O GLU A 85 11.151 15.076 -3.120 1.00 90.10 O +ATOM 682 CG GLU A 85 12.005 12.405 -5.035 1.00 79.21 C +ATOM 683 CD GLU A 85 12.855 11.870 -6.177 1.00 73.42 C +ATOM 684 OE1 GLU A 85 12.288 11.451 -7.211 1.00 78.95 O +ATOM 685 OE2 GLU A 85 14.098 11.871 -6.036 1.00 76.85 O +ATOM 686 N VAL A 86 10.246 15.914 -4.944 1.00 93.29 N +ATOM 687 CA VAL A 86 10.771 17.267 -4.793 1.00 93.37 C +ATOM 688 C VAL A 86 10.176 17.916 -3.545 1.00 91.54 C +ATOM 689 CB VAL A 86 10.474 18.134 -6.037 1.00 92.99 C +ATOM 690 O VAL A 86 10.885 18.576 -2.783 1.00 89.62 O +ATOM 691 CG1 VAL A 86 10.765 19.606 -5.752 1.00 90.20 C +ATOM 692 CG2 VAL A 86 11.290 17.647 -7.233 1.00 88.57 C +ATOM 693 N LEU A 87 8.863 17.738 -3.253 1.00 91.84 N +ATOM 694 CA LEU A 87 8.179 18.272 -2.080 1.00 91.92 C +ATOM 695 C LEU A 87 8.724 17.647 -0.801 1.00 89.17 C +ATOM 696 CB LEU A 87 6.671 18.025 -2.180 1.00 89.84 C +ATOM 697 O LEU A 87 9.100 18.361 0.132 1.00 85.99 O +ATOM 698 CG LEU A 87 5.906 18.897 -3.176 1.00 82.60 C +ATOM 699 CD1 LEU A 87 4.484 18.376 -3.355 1.00 75.51 C +ATOM 700 CD2 LEU A 87 5.893 20.351 -2.715 1.00 76.83 C +ATOM 701 N THR A 88 8.906 16.308 -0.792 1.00 88.72 N +ATOM 702 CA THR A 88 9.454 15.581 0.348 1.00 88.84 C +ATOM 703 C THR A 88 10.877 16.043 0.650 1.00 87.96 C +ATOM 704 CB THR A 88 9.448 14.062 0.097 1.00 85.45 C +ATOM 705 O THR A 88 11.205 16.349 1.799 1.00 86.18 O +ATOM 706 CG2 THR A 88 8.024 13.516 0.065 1.00 68.03 C +ATOM 707 OG1 THR A 88 10.081 13.787 -1.158 1.00 68.22 O +ATOM 708 N LYS A 89 11.716 16.217 -0.323 1.00 89.73 N +ATOM 709 CA LYS A 89 13.085 16.697 -0.165 1.00 90.68 C +ATOM 710 C LYS A 89 13.109 18.133 0.352 1.00 89.83 C +ATOM 711 CB LYS A 89 13.843 16.606 -1.491 1.00 90.46 C +ATOM 712 O LYS A 89 13.988 18.503 1.132 1.00 89.53 O +ATOM 713 CG LYS A 89 14.324 15.203 -1.833 1.00 88.48 C +ATOM 714 CD LYS A 89 14.997 15.161 -3.199 1.00 85.62 C +ATOM 715 CE LYS A 89 15.468 13.756 -3.548 1.00 87.17 C +ATOM 716 NZ LYS A 89 15.956 13.669 -4.957 1.00 86.94 N +ATOM 717 N LYS A 90 12.170 19.006 -0.103 1.00 92.71 N +ATOM 718 CA LYS A 90 12.045 20.365 0.417 1.00 92.87 C +ATOM 719 C LYS A 90 11.645 20.355 1.890 1.00 90.58 C +ATOM 720 CB LYS A 90 11.024 21.159 -0.398 1.00 92.48 C +ATOM 721 O LYS A 90 12.299 20.990 2.720 1.00 88.55 O +ATOM 722 CG LYS A 90 10.906 22.620 0.012 1.00 91.51 C +ATOM 723 CD LYS A 90 9.874 23.356 -0.832 1.00 88.96 C +ATOM 724 CE LYS A 90 9.694 24.795 -0.368 1.00 90.38 C +ATOM 725 NZ LYS A 90 8.603 25.487 -1.117 1.00 89.60 N +ATOM 726 N GLN A 91 10.603 19.576 2.266 1.00 90.08 N +ATOM 727 CA GLN A 91 10.136 19.453 3.643 1.00 89.85 C +ATOM 728 C GLN A 91 11.251 18.956 4.559 1.00 87.87 C +ATOM 729 CB GLN A 91 8.934 18.511 3.721 1.00 86.79 C +ATOM 730 O GLN A 91 11.499 19.540 5.616 1.00 85.15 O +ATOM 731 CG GLN A 91 7.644 19.114 3.181 1.00 76.76 C +ATOM 732 CD GLN A 91 6.500 18.119 3.146 1.00 72.29 C +ATOM 733 NE2 GLN A 91 5.273 18.622 3.232 1.00 69.28 N +ATOM 734 OE1 GLN A 91 6.717 16.907 3.042 1.00 75.08 O +ATOM 735 N GLN A 92 12.000 17.952 4.106 1.00 87.68 N +ATOM 736 CA GLN A 92 13.140 17.429 4.851 1.00 88.28 C +ATOM 737 C GLN A 92 14.201 18.506 5.062 1.00 88.33 C +ATOM 738 CB GLN A 92 13.750 16.227 4.126 1.00 85.93 C +ATOM 739 O GLN A 92 14.798 18.594 6.137 1.00 87.57 O +ATOM 740 CG GLN A 92 12.926 14.953 4.249 1.00 77.27 C +ATOM 741 CD GLN A 92 13.494 13.806 3.434 1.00 73.36 C +ATOM 742 NE2 GLN A 92 12.986 12.601 3.672 1.00 71.91 N +ATOM 743 OE1 GLN A 92 14.381 14.001 2.597 1.00 76.85 O +ATOM 744 N LYS A 93 14.466 19.322 4.070 1.00 91.91 N +ATOM 745 CA LYS A 93 15.426 20.416 4.185 1.00 92.35 C +ATOM 746 C LYS A 93 14.935 21.477 5.167 1.00 90.62 C +ATOM 747 CB LYS A 93 15.685 21.048 2.817 1.00 90.85 C +ATOM 748 O LYS A 93 15.697 21.942 6.017 1.00 89.44 O +ATOM 749 CG LYS A 93 16.754 22.132 2.828 1.00 82.63 C +ATOM 750 CD LYS A 93 16.956 22.731 1.442 1.00 77.21 C +ATOM 751 CE LYS A 93 17.966 23.871 1.467 1.00 77.42 C +ATOM 752 NZ LYS A 93 18.068 24.550 0.141 1.00 75.28 N +ATOM 753 N ASP A 94 13.677 21.903 5.092 1.00 92.23 N +ATOM 754 CA ASP A 94 13.055 22.889 5.970 1.00 92.67 C +ATOM 755 C ASP A 94 13.056 22.413 7.420 1.00 90.55 C +ATOM 756 CB ASP A 94 11.624 23.186 5.515 1.00 91.52 C +ATOM 757 O ASP A 94 13.398 23.173 8.329 1.00 88.31 O +ATOM 758 CG ASP A 94 11.562 23.860 4.155 1.00 87.22 C +ATOM 759 OD1 ASP A 94 12.597 24.376 3.682 1.00 83.78 O +ATOM 760 OD2 ASP A 94 10.466 23.877 3.553 1.00 87.10 O +ATOM 761 N GLU A 95 12.814 21.091 7.651 1.00 89.58 N +ATOM 762 CA GLU A 95 12.850 20.473 8.973 1.00 89.49 C +ATOM 763 C GLU A 95 14.260 20.498 9.556 1.00 88.93 C +ATOM 764 CB GLU A 95 12.334 19.033 8.907 1.00 85.66 C +ATOM 765 O GLU A 95 14.456 20.899 10.705 1.00 87.10 O +ATOM 766 CG GLU A 95 12.198 18.366 10.268 1.00 72.36 C +ATOM 767 CD GLU A 95 11.241 19.092 11.200 1.00 68.32 C +ATOM 768 OE1 GLU A 95 10.364 19.838 10.708 1.00 68.73 O +ATOM 769 OE2 GLU A 95 11.371 18.916 12.432 1.00 65.21 O +ATOM 770 N ILE A 96 15.286 20.186 8.795 1.00 88.57 N +ATOM 771 CA ILE A 96 16.684 20.204 9.212 1.00 89.96 C +ATOM 772 C ILE A 96 17.101 21.633 9.556 1.00 89.27 C +ATOM 773 CB ILE A 96 17.608 19.626 8.117 1.00 88.66 C +ATOM 774 O ILE A 96 17.817 21.858 10.534 1.00 88.96 O +ATOM 775 CG1 ILE A 96 17.434 18.106 8.019 1.00 82.99 C +ATOM 776 CG2 ILE A 96 19.069 19.992 8.394 1.00 81.74 C +ATOM 777 CD1 ILE A 96 18.023 17.495 6.756 1.00 78.97 C +ATOM 778 N GLU A 97 16.701 22.662 8.795 1.00 93.91 N +ATOM 779 CA GLU A 97 17.008 24.064 9.064 1.00 94.08 C +ATOM 780 C GLU A 97 16.293 24.554 10.321 1.00 92.79 C +ATOM 781 CB GLU A 97 16.625 24.938 7.867 1.00 92.35 C +ATOM 782 O GLU A 97 16.887 25.249 11.148 1.00 91.25 O +ATOM 783 CG GLU A 97 17.598 24.845 6.701 1.00 82.51 C +ATOM 784 CD GLU A 97 17.274 25.808 5.570 1.00 76.06 C +ATOM 785 OE1 GLU A 97 16.274 26.553 5.676 1.00 80.39 O +ATOM 786 OE2 GLU A 97 18.027 25.817 4.571 1.00 80.81 O +ATOM 787 N HIS A 98 15.004 24.110 10.539 1.00 92.18 N +ATOM 788 CA HIS A 98 14.240 24.401 11.748 1.00 92.82 C +ATOM 789 C HIS A 98 14.910 23.801 12.980 1.00 91.24 C +ATOM 790 CB HIS A 98 12.810 23.873 11.618 1.00 88.77 C +ATOM 791 O HIS A 98 15.130 24.498 13.973 1.00 89.08 O +ATOM 792 CG HIS A 98 11.912 24.294 12.737 1.00 72.31 C +ATOM 793 CD2 HIS A 98 11.211 23.564 13.636 1.00 64.48 C +ATOM 794 ND1 HIS A 98 11.653 25.616 13.027 1.00 63.97 N +ATOM 795 CE1 HIS A 98 10.829 25.681 14.059 1.00 59.84 C +ATOM 796 NE2 HIS A 98 10.545 24.450 14.448 1.00 61.38 N +ATOM 797 N GLN A 99 15.363 22.544 12.924 1.00 87.94 N +ATOM 798 CA GLN A 99 16.062 21.868 14.011 1.00 88.58 C +ATOM 799 C GLN A 99 17.383 22.561 14.332 1.00 88.15 C +ATOM 800 CB GLN A 99 16.311 20.400 13.659 1.00 85.03 C +ATOM 801 O GLN A 99 17.718 22.760 15.502 1.00 86.88 O +ATOM 802 CG GLN A 99 15.065 19.530 13.734 1.00 74.59 C +ATOM 803 CD GLN A 99 15.330 18.089 13.338 1.00 70.82 C +ATOM 804 NE2 GLN A 99 14.273 17.286 13.278 1.00 68.20 N +ATOM 805 OE1 GLN A 99 16.475 17.702 13.086 1.00 74.20 O +ATOM 806 N LYS A 100 18.136 22.989 13.328 1.00 91.78 N +ATOM 807 CA LYS A 100 19.372 23.749 13.492 1.00 93.09 C +ATOM 808 C LYS A 100 19.107 25.087 14.177 1.00 92.14 C +ATOM 809 CB LYS A 100 20.046 23.978 12.138 1.00 92.54 C +ATOM 810 O LYS A 100 19.901 25.533 15.008 1.00 91.83 O +ATOM 811 CG LYS A 100 20.798 22.766 11.609 1.00 89.24 C +ATOM 812 CD LYS A 100 21.346 23.016 10.210 1.00 84.90 C +ATOM 813 CE LYS A 100 22.043 21.782 9.653 1.00 87.16 C +ATOM 814 NZ LYS A 100 22.466 21.978 8.234 1.00 86.44 N +ATOM 815 N LYS A 101 18.034 25.799 13.791 1.00 94.08 N +ATOM 816 CA LYS A 101 17.640 27.055 14.422 1.00 94.36 C +ATOM 817 C LYS A 101 17.293 26.845 15.894 1.00 92.46 C +ATOM 818 CB LYS A 101 16.451 27.676 13.688 1.00 93.19 C +ATOM 819 O LYS A 101 17.883 27.478 16.772 1.00 90.65 O +ATOM 820 CG LYS A 101 16.047 29.047 14.211 1.00 87.93 C +ATOM 821 CD LYS A 101 14.840 29.597 13.463 1.00 82.37 C +ATOM 822 CE LYS A 101 14.340 30.894 14.084 1.00 84.53 C +ATOM 823 NZ LYS A 101 13.055 31.344 13.469 1.00 82.62 N +ATOM 824 N LEU A 102 16.458 25.855 16.220 1.00 92.34 N +ATOM 825 CA LEU A 102 16.047 25.523 17.580 1.00 92.71 C +ATOM 826 C LEU A 102 17.253 25.162 18.440 1.00 90.96 C +ATOM 827 CB LEU A 102 15.047 24.363 17.570 1.00 89.34 C +ATOM 828 O LEU A 102 17.381 25.639 19.570 1.00 88.54 O +ATOM 829 CG LEU A 102 13.615 24.706 17.156 1.00 75.55 C +ATOM 830 CD1 LEU A 102 12.813 23.431 16.919 1.00 66.96 C +ATOM 831 CD2 LEU A 102 12.946 25.577 18.214 1.00 67.68 C +ATOM 832 N LYS A 103 18.163 24.392 17.893 1.00 89.06 N +ATOM 833 CA LYS A 103 19.379 24.024 18.612 1.00 90.79 C +ATOM 834 C LYS A 103 20.203 25.258 18.966 1.00 90.09 C +ATOM 835 CB LYS A 103 20.220 23.053 17.782 1.00 89.16 C +ATOM 836 O LYS A 103 20.667 25.397 20.099 1.00 89.65 O +ATOM 837 CG LYS A 103 21.468 22.551 18.494 1.00 83.57 C +ATOM 838 CD LYS A 103 22.216 21.523 17.654 1.00 79.37 C +ATOM 839 CE LYS A 103 23.464 21.020 18.366 1.00 81.62 C +ATOM 840 NZ LYS A 103 24.186 19.992 17.557 1.00 80.57 N +ATOM 841 N ARG A 104 20.346 26.204 18.083 1.00 93.92 N +ATOM 842 CA ARG A 104 21.063 27.453 18.322 1.00 94.45 C +ATOM 843 C ARG A 104 20.383 28.273 19.413 1.00 92.67 C +ATOM 844 CB ARG A 104 21.159 28.273 17.034 1.00 94.23 C +ATOM 845 O ARG A 104 21.055 28.870 20.257 1.00 91.45 O +ATOM 846 CG ARG A 104 22.151 27.718 16.024 1.00 93.28 C +ATOM 847 CD ARG A 104 22.107 28.486 14.710 1.00 90.68 C +ATOM 848 NE ARG A 104 22.955 27.866 13.695 1.00 92.37 N +ATOM 849 NH1 ARG A 104 22.219 29.209 11.965 1.00 88.10 N +ATOM 850 NH2 ARG A 104 23.797 27.593 11.576 1.00 86.94 N +ATOM 851 CZ ARG A 104 22.988 28.224 12.414 1.00 90.06 C +ATOM 852 N GLU A 105 19.024 28.359 19.433 1.00 92.41 N +ATOM 853 CA GLU A 105 18.247 29.067 20.446 1.00 92.80 C +ATOM 854 C GLU A 105 18.405 28.417 21.818 1.00 89.95 C +ATOM 855 CB GLU A 105 16.768 29.115 20.054 1.00 91.92 C +ATOM 856 O GLU A 105 18.671 29.101 22.808 1.00 87.24 O +ATOM 857 CG GLU A 105 16.465 30.072 18.910 1.00 88.98 C +ATOM 858 CD GLU A 105 15.025 29.997 18.430 1.00 83.57 C +ATOM 859 OE1 GLU A 105 14.235 29.211 19.001 1.00 88.16 O +ATOM 860 OE2 GLU A 105 14.684 30.729 17.475 1.00 89.42 O +ATOM 861 N ILE A 106 18.431 27.090 21.845 1.00 88.46 N +ATOM 862 CA ILE A 106 18.625 26.329 23.075 1.00 89.28 C +ATOM 863 C ILE A 106 20.045 26.541 23.595 1.00 87.11 C +ATOM 864 CB ILE A 106 18.353 24.823 22.857 1.00 87.17 C +ATOM 865 O ILE A 106 20.247 26.775 24.789 1.00 85.15 O +ATOM 866 CG1 ILE A 106 16.853 24.574 22.662 1.00 78.76 C +ATOM 867 CG2 ILE A 106 18.898 24.001 24.028 1.00 76.92 C +ATOM 868 CD1 ILE A 106 16.521 23.192 22.117 1.00 74.73 C +ATOM 869 N ASP A 107 21.051 26.465 22.752 1.00 89.35 N +ATOM 870 CA ASP A 107 22.443 26.673 23.140 1.00 90.56 C +ATOM 871 C ASP A 107 22.670 28.103 23.624 1.00 88.85 C +ATOM 872 CB ASP A 107 23.378 26.359 21.970 1.00 89.77 C +ATOM 873 O ASP A 107 23.401 28.328 24.591 1.00 87.44 O +ATOM 874 CG ASP A 107 23.454 24.876 21.654 1.00 87.15 C +ATOM 875 OD1 ASP A 107 23.179 24.046 22.547 1.00 86.24 O +ATOM 876 OD2 ASP A 107 23.795 24.533 20.501 1.00 88.58 O +ATOM 877 N ALA A 108 21.976 29.095 23.052 1.00 90.12 N +ATOM 878 CA ALA A 108 22.012 30.487 23.492 1.00 90.30 C +ATOM 879 C ALA A 108 21.371 30.644 24.868 1.00 87.70 C +ATOM 880 CB ALA A 108 21.310 31.385 22.476 1.00 89.46 C +ATOM 881 O ALA A 108 21.922 31.315 25.744 1.00 85.14 O +ATOM 882 N ILE A 109 20.205 30.013 25.139 1.00 86.61 N +ATOM 883 CA ILE A 109 19.522 30.025 26.428 1.00 86.23 C +ATOM 884 C ILE A 109 20.391 29.340 27.480 1.00 81.61 C +ATOM 885 CB ILE A 109 18.141 29.337 26.342 1.00 85.00 C +ATOM 886 O ILE A 109 20.589 29.874 28.574 1.00 77.53 O +ATOM 887 CG1 ILE A 109 17.173 30.183 25.507 1.00 81.18 C +ATOM 888 CG2 ILE A 109 17.577 29.081 27.743 1.00 79.13 C +ATOM 889 CD1 ILE A 109 15.921 29.437 25.066 1.00 78.54 C +ATOM 890 N LYS A 110 20.978 28.193 27.151 1.00 83.18 N +ATOM 891 CA LYS A 110 21.900 27.507 28.052 1.00 82.71 C +ATOM 892 C LYS A 110 23.082 28.403 28.414 1.00 80.20 C +ATOM 893 CB LYS A 110 22.401 26.208 27.421 1.00 80.83 C +ATOM 894 O LYS A 110 23.446 28.514 29.587 1.00 77.17 O +ATOM 895 CG LYS A 110 21.382 25.078 27.437 1.00 75.15 C +ATOM 896 CD LYS A 110 21.909 23.839 26.725 1.00 72.01 C +ATOM 897 CE LYS A 110 20.901 22.699 26.765 1.00 68.65 C +ATOM 898 NZ LYS A 110 21.365 21.521 25.972 1.00 65.89 N +ATOM 899 N ALA A 111 23.637 29.016 27.422 1.00 84.89 N +ATOM 900 CA ALA A 111 24.756 29.927 27.653 1.00 84.67 C +ATOM 901 C ALA A 111 24.340 31.089 28.550 1.00 82.36 C +ATOM 902 CB ALA A 111 25.298 30.451 26.325 1.00 83.61 C +ATOM 903 O ALA A 111 25.081 31.478 29.456 1.00 79.47 O +ATOM 904 N SER A 112 23.115 31.551 28.359 1.00 83.78 N +ATOM 905 CA SER A 112 22.606 32.641 29.185 1.00 82.67 C +ATOM 906 C SER A 112 22.272 32.159 30.593 1.00 78.82 C +ATOM 907 CB SER A 112 21.367 33.267 28.544 1.00 80.92 C +ATOM 908 O SER A 112 22.511 32.869 31.571 1.00 74.30 O +ATOM 909 OG SER A 112 20.315 32.322 28.455 1.00 75.11 O +ATOM 910 N THR A 113 21.724 30.895 30.700 1.00 76.99 N +ATOM 911 CA THR A 113 21.354 30.329 31.993 1.00 75.83 C +ATOM 912 C THR A 113 22.596 29.904 32.772 1.00 72.40 C +ATOM 913 CB THR A 113 20.412 29.123 31.826 1.00 72.81 C +ATOM 914 O THR A 113 22.640 30.032 33.997 1.00 67.99 O +ATOM 915 CG2 THR A 113 19.076 29.368 32.519 1.00 64.60 C +ATOM 916 OG1 THR A 113 20.179 28.896 30.430 1.00 69.18 O +ATOM 917 N GLN A 114 23.580 29.215 32.059 1.00 73.46 N +ATOM 918 CA GLN A 114 24.836 28.915 32.737 1.00 73.12 C +ATOM 919 C GLN A 114 25.407 30.158 33.414 1.00 71.40 C +ATOM 920 CB GLN A 114 25.854 28.339 31.751 1.00 69.99 C +ATOM 921 O GLN A 114 25.947 30.076 34.519 1.00 68.63 O +ATOM 922 CG GLN A 114 26.229 26.890 32.031 1.00 66.10 C +ATOM 923 CD GLN A 114 26.966 26.241 30.874 1.00 65.25 C +ATOM 924 NE2 GLN A 114 27.445 25.020 31.087 1.00 58.46 N +ATOM 925 OE1 GLN A 114 27.103 26.832 29.798 1.00 66.32 O +ATOM 926 N TYR A 115 25.243 31.306 32.764 1.00 73.83 N +ATOM 927 CA TYR A 115 25.659 32.547 33.408 1.00 73.88 C +ATOM 928 C TYR A 115 24.859 32.795 34.682 1.00 71.03 C +ATOM 929 CB TYR A 115 25.495 33.731 32.451 1.00 69.88 C +ATOM 930 O TYR A 115 25.352 33.425 35.620 1.00 67.46 O +ATOM 931 CG TYR A 115 26.786 34.456 32.156 1.00 65.72 C +ATOM 932 CD1 TYR A 115 27.190 35.541 32.931 1.00 62.44 C +ATOM 933 CD2 TYR A 115 27.603 34.059 31.103 1.00 63.57 C +ATOM 934 CE1 TYR A 115 28.378 36.214 32.662 1.00 61.27 C +ATOM 935 CE2 TYR A 115 28.792 34.724 30.825 1.00 58.07 C +ATOM 936 OH TYR A 115 30.348 36.461 31.339 1.00 53.78 O +ATOM 937 CZ TYR A 115 29.171 35.798 31.610 1.00 61.66 C +ATOM 938 N ILE A 116 23.603 32.303 34.640 1.00 69.80 N +ATOM 939 CA ILE A 116 22.731 32.548 35.784 1.00 68.92 C +ATOM 940 C ILE A 116 22.942 31.461 36.836 1.00 67.32 C +ATOM 941 CB ILE A 116 21.246 32.604 35.361 1.00 65.04 C +ATOM 942 O ILE A 116 22.866 31.729 38.037 1.00 63.68 O +ATOM 943 CG1 ILE A 116 20.999 33.800 34.435 1.00 61.11 C +ATOM 944 CG2 ILE A 116 20.336 32.666 36.591 1.00 61.28 C +ATOM 945 CD1 ILE A 116 19.617 33.814 33.797 1.00 60.93 C +ATOM 946 N THR A 117 23.185 30.224 36.373 1.00 58.60 N +ATOM 947 CA THR A 117 23.315 29.096 37.289 1.00 58.85 C +ATOM 948 C THR A 117 24.645 29.156 38.034 1.00 58.00 C +ATOM 949 CB THR A 117 23.201 27.754 36.543 1.00 54.73 C +ATOM 950 O THR A 117 24.737 28.725 39.186 1.00 56.40 O +ATOM 951 CG2 THR A 117 21.743 27.402 36.265 1.00 49.87 C +ATOM 952 OG1 THR A 117 23.905 27.845 35.298 1.00 52.26 O +ATOM 953 N ASP A 118 25.709 29.494 37.316 1.00 58.98 N +ATOM 954 CA ASP A 118 26.951 29.697 38.055 1.00 58.67 C +ATOM 955 C ASP A 118 26.733 30.614 39.256 1.00 58.87 C +ATOM 956 CB ASP A 118 28.031 30.276 37.139 1.00 55.18 C +ATOM 957 O ASP A 118 27.507 30.584 40.215 1.00 57.38 O +ATOM 958 CG ASP A 118 28.782 29.211 36.359 1.00 52.63 C +ATOM 959 OD1 ASP A 118 28.796 28.037 36.789 1.00 55.35 O +ATOM 960 OD2 ASP A 118 29.368 29.549 35.308 1.00 59.43 O +ATOM 961 N VAL A 119 25.561 31.220 39.264 1.00 55.97 N +ATOM 962 CA VAL A 119 25.317 32.200 40.317 1.00 55.63 C +ATOM 963 C VAL A 119 24.285 31.655 41.302 1.00 55.49 C +ATOM 964 CB VAL A 119 24.838 33.550 39.736 1.00 50.22 C +ATOM 965 O VAL A 119 24.250 32.066 42.464 1.00 52.55 O +ATOM 966 CG1 VAL A 119 24.633 34.575 40.850 1.00 43.84 C +ATOM 967 CG2 VAL A 119 25.836 34.070 38.704 1.00 45.36 C +ATOM 968 N SER A 120 23.615 30.623 41.040 1.00 54.98 N +ATOM 969 CA SER A 120 22.494 30.500 41.966 1.00 54.64 C +ATOM 970 C SER A 120 22.120 29.038 42.191 1.00 54.50 C +ATOM 971 CB SER A 120 21.280 31.270 41.445 1.00 49.24 C +ATOM 972 O SER A 120 21.301 28.728 43.058 1.00 51.62 O +ATOM 973 OG SER A 120 21.623 32.615 41.160 1.00 49.51 O +ATOM 974 N ILE A 121 22.789 27.962 41.692 1.00 54.31 N +ATOM 975 CA ILE A 121 22.215 26.635 41.891 1.00 53.99 C +ATOM 976 C ILE A 121 23.237 25.729 42.575 1.00 54.36 C +ATOM 977 CB ILE A 121 21.756 26.011 40.554 1.00 50.10 C +ATOM 978 O ILE A 121 23.756 24.795 41.961 1.00 52.62 O +ATOM 979 CG1 ILE A 121 20.717 26.911 39.874 1.00 46.12 C +ATOM 980 CG2 ILE A 121 21.198 24.603 40.779 1.00 47.11 C +ATOM 981 CD1 ILE A 121 20.340 26.467 38.467 1.00 46.09 C +ATOM 982 N SER A 122 24.080 26.235 43.463 1.00 53.97 N +ATOM 983 CA SER A 122 24.703 25.407 44.491 1.00 54.67 C +ATOM 984 C SER A 122 23.675 24.920 45.506 1.00 53.95 C +ATOM 985 CB SER A 122 25.810 26.183 45.206 1.00 49.61 C +ATOM 986 O SER A 122 23.971 24.051 46.329 1.00 52.32 O +ATOM 987 OG SER A 122 25.334 27.438 45.658 1.00 48.18 O +ATOM 988 N SER A 123 22.429 24.958 45.246 1.00 55.74 N +ATOM 989 CA SER A 123 21.722 24.513 46.442 1.00 55.77 C +ATOM 990 C SER A 123 20.460 23.736 46.082 1.00 55.18 C +ATOM 991 CB SER A 123 21.361 25.707 47.327 1.00 49.84 C +ATOM 992 O SER A 123 19.628 23.458 46.948 1.00 52.29 O +ATOM 993 OG SER A 123 22.514 26.228 47.964 1.00 49.74 O +ATOM 994 N TYR A 124 20.161 23.338 44.884 1.00 59.61 N +ATOM 995 CA TYR A 124 18.997 22.473 44.733 1.00 59.40 C +ATOM 996 C TYR A 124 19.369 21.176 44.024 1.00 59.00 C +ATOM 997 CB TYR A 124 17.889 23.193 43.958 1.00 55.18 C +ATOM 998 O TYR A 124 18.843 20.876 42.949 1.00 56.46 O +ATOM 999 CG TYR A 124 16.802 23.760 44.838 1.00 53.45 C +ATOM 1000 CD1 TYR A 124 15.684 22.999 45.175 1.00 50.78 C +ATOM 1001 CD2 TYR A 124 16.890 25.056 45.334 1.00 52.05 C +ATOM 1002 CE1 TYR A 124 14.679 23.518 45.984 1.00 49.76 C +ATOM 1003 CE2 TYR A 124 15.890 25.585 46.144 1.00 50.96 C +ATOM 1004 OH TYR A 124 13.799 25.328 47.266 1.00 49.94 O +ATOM 1005 CZ TYR A 124 14.791 24.810 46.464 1.00 47.59 C +ATOM 1006 N ASN A 125 20.449 20.475 44.350 1.00 58.39 N +ATOM 1007 CA ASN A 125 20.478 19.020 44.257 1.00 58.65 C +ATOM 1008 C ASN A 125 19.297 18.387 44.988 1.00 58.39 C +ATOM 1009 CB ASN A 125 21.797 18.473 44.808 1.00 54.66 C +ATOM 1010 O ASN A 125 19.483 17.661 45.966 1.00 56.65 O +ATOM 1011 CG ASN A 125 22.861 18.328 43.738 1.00 52.54 C +ATOM 1012 ND2 ASN A 125 24.098 18.092 44.160 1.00 50.62 N +ATOM 1013 OD1 ASN A 125 22.574 18.428 42.542 1.00 52.74 O +ATOM 1014 N ASN A 126 18.077 18.841 44.889 1.00 60.48 N +ATOM 1015 CA ASN A 126 17.024 17.882 45.206 1.00 59.82 C +ATOM 1016 C ASN A 126 17.066 16.675 44.274 1.00 60.05 C +ATOM 1017 CB ASN A 126 15.650 18.553 45.144 1.00 55.87 C +ATOM 1018 O ASN A 126 16.587 16.743 43.141 1.00 57.35 O +ATOM 1019 CG ASN A 126 15.240 19.168 46.468 1.00 53.35 C +ATOM 1020 ND2 ASN A 126 14.218 20.014 46.438 1.00 52.76 N +ATOM 1021 OD1 ASN A 126 15.838 18.885 47.510 1.00 54.47 O +ATOM 1022 N THR A 127 18.000 15.760 44.419 1.00 65.97 N +ATOM 1023 CA THR A 127 17.731 14.370 44.070 1.00 65.58 C +ATOM 1024 C THR A 127 16.257 14.036 44.278 1.00 66.08 C +ATOM 1025 CB THR A 127 18.600 13.407 44.901 1.00 62.39 C +ATOM 1026 O THR A 127 15.797 13.909 45.415 1.00 63.89 O +ATOM 1027 CG2 THR A 127 19.561 12.626 44.011 1.00 56.05 C +ATOM 1028 OG1 THR A 127 19.357 14.161 45.857 1.00 58.88 O +ATOM 1029 N ILE A 128 15.337 14.472 43.361 1.00 66.64 N +ATOM 1030 CA ILE A 128 14.153 13.625 43.461 1.00 66.27 C +ATOM 1031 C ILE A 128 14.565 12.204 43.839 1.00 67.43 C +ATOM 1032 CB ILE A 128 13.350 13.618 42.141 1.00 63.93 C +ATOM 1033 O ILE A 128 15.356 11.573 43.134 1.00 65.92 O +ATOM 1034 CG1 ILE A 128 12.958 15.046 41.746 1.00 59.30 C +ATOM 1035 CG2 ILE A 128 12.112 12.725 42.267 1.00 60.02 C +ATOM 1036 CD1 ILE A 128 12.299 15.151 40.378 1.00 59.05 C +ATOM 1037 N PRO A 129 14.465 11.895 45.119 1.00 73.08 N +ATOM 1038 CA PRO A 129 14.721 10.477 45.384 1.00 72.42 C +ATOM 1039 C PRO A 129 14.269 9.572 44.241 1.00 73.57 C +ATOM 1040 CB PRO A 129 13.908 10.203 46.652 1.00 70.14 C +ATOM 1041 O PRO A 129 13.131 9.679 43.777 1.00 72.20 O +ATOM 1042 CG PRO A 129 12.821 11.230 46.638 1.00 69.06 C +ATOM 1043 CD PRO A 129 13.302 12.423 45.863 1.00 69.16 C +ATOM 1044 N GLU A 130 15.098 9.098 43.444 1.00 72.32 N +ATOM 1045 CA GLU A 130 14.722 7.979 42.585 1.00 72.13 C +ATOM 1046 C GLU A 130 13.756 7.037 43.297 1.00 74.11 C +ATOM 1047 CB GLU A 130 15.965 7.211 42.127 1.00 69.22 C +ATOM 1048 O GLU A 130 14.178 6.172 44.067 1.00 72.70 O +ATOM 1049 CG GLU A 130 16.796 7.950 41.088 1.00 65.81 C +ATOM 1050 CD GLU A 130 17.995 7.151 40.601 1.00 64.76 C +ATOM 1051 OE1 GLU A 130 18.281 6.075 41.174 1.00 65.77 O +ATOM 1052 OE2 GLU A 130 18.654 7.606 39.639 1.00 60.59 O +ATOM 1053 N THR A 131 12.565 7.490 43.380 1.00 77.69 N +ATOM 1054 CA THR A 131 11.578 6.500 43.795 1.00 78.87 C +ATOM 1055 C THR A 131 11.714 5.222 42.972 1.00 80.39 C +ATOM 1056 CB THR A 131 10.145 7.049 43.663 1.00 76.01 C +ATOM 1057 O THR A 131 11.699 5.267 41.740 1.00 79.50 O +ATOM 1058 CG2 THR A 131 9.814 8.002 44.807 1.00 69.32 C +ATOM 1059 OG1 THR A 131 10.022 7.751 42.420 1.00 71.95 O +ATOM 1060 N GLU A 132 12.169 4.203 43.595 1.00 81.27 N +ATOM 1061 CA GLU A 132 12.181 2.905 42.927 1.00 82.60 C +ATOM 1062 C GLU A 132 10.946 2.725 42.049 1.00 84.19 C +ATOM 1063 CB GLU A 132 12.266 1.773 43.953 1.00 79.61 C +ATOM 1064 O GLU A 132 9.833 3.060 42.458 1.00 83.13 O +ATOM 1065 CG GLU A 132 13.629 1.648 44.619 1.00 75.55 C +ATOM 1066 CD GLU A 132 13.769 0.395 45.469 1.00 75.22 C +ATOM 1067 OE1 GLU A 132 12.743 -0.264 45.753 1.00 77.05 O +ATOM 1068 OE2 GLU A 132 14.914 0.069 45.854 1.00 75.14 O +ATOM 1069 N PRO A 133 11.164 2.437 40.750 1.00 78.39 N +ATOM 1070 CA PRO A 133 9.986 2.224 39.906 1.00 82.11 C +ATOM 1071 C PRO A 133 8.962 1.291 40.548 1.00 84.68 C +ATOM 1072 CB PRO A 133 10.570 1.602 38.636 1.00 78.52 C +ATOM 1073 O PRO A 133 9.310 0.191 40.983 1.00 83.31 O +ATOM 1074 CG PRO A 133 11.817 0.911 39.086 1.00 78.54 C +ATOM 1075 CD PRO A 133 12.368 1.649 40.273 1.00 79.22 C +ATOM 1076 N GLU A 134 7.716 1.732 40.566 1.00 86.49 N +ATOM 1077 CA GLU A 134 6.604 1.015 41.182 1.00 87.78 C +ATOM 1078 C GLU A 134 6.235 -0.228 40.378 1.00 90.49 C +ATOM 1079 CB GLU A 134 5.385 1.931 41.323 1.00 84.56 C +ATOM 1080 O GLU A 134 5.769 -1.222 40.940 1.00 89.98 O +ATOM 1081 CG GLU A 134 4.253 1.327 42.142 1.00 78.29 C +ATOM 1082 CD GLU A 134 3.101 2.290 42.374 1.00 75.22 C +ATOM 1083 OE1 GLU A 134 3.181 3.454 41.920 1.00 76.24 O +ATOM 1084 OE2 GLU A 134 2.109 1.878 43.016 1.00 71.98 O +ATOM 1085 N TYR A 135 6.515 -0.251 39.166 1.00 92.33 N +ATOM 1086 CA TYR A 135 6.117 -1.324 38.261 1.00 93.40 C +ATOM 1087 C TYR A 135 7.316 -1.855 37.484 1.00 93.74 C +ATOM 1088 CB TYR A 135 5.039 -0.836 37.289 1.00 92.72 C +ATOM 1089 O TYR A 135 8.224 -1.096 37.137 1.00 93.50 O +ATOM 1090 CG TYR A 135 3.816 -0.274 37.971 1.00 91.56 C +ATOM 1091 CD1 TYR A 135 2.823 -1.115 38.467 1.00 89.41 C +ATOM 1092 CD2 TYR A 135 3.650 1.099 38.120 1.00 89.64 C +ATOM 1093 CE1 TYR A 135 1.692 -0.601 39.094 1.00 89.46 C +ATOM 1094 CE2 TYR A 135 2.524 1.624 38.746 1.00 89.40 C +ATOM 1095 OH TYR A 135 0.436 1.281 39.850 1.00 85.69 O +ATOM 1096 CZ TYR A 135 1.552 0.767 39.229 1.00 88.81 C +ATOM 1097 N ASP A 136 7.305 -3.142 37.180 1.00 94.82 N +ATOM 1098 CA ASP A 136 8.299 -3.763 36.311 1.00 95.36 C +ATOM 1099 C ASP A 136 8.074 -3.371 34.852 1.00 95.47 C +ATOM 1100 CB ASP A 136 8.265 -5.286 36.458 1.00 94.99 C +ATOM 1101 O ASP A 136 9.017 -3.000 34.150 1.00 95.18 O +ATOM 1102 CG ASP A 136 8.647 -5.756 37.850 1.00 94.06 C +ATOM 1103 OD1 ASP A 136 9.717 -5.353 38.357 1.00 93.09 O +ATOM 1104 OD2 ASP A 136 7.874 -6.538 38.444 1.00 93.38 O +ATOM 1105 N LEU A 137 6.793 -3.355 34.353 1.00 94.87 N +ATOM 1106 CA LEU A 137 6.444 -3.145 32.952 1.00 95.33 C +ATOM 1107 C LEU A 137 5.261 -2.191 32.823 1.00 94.83 C +ATOM 1108 CB LEU A 137 6.114 -4.479 32.276 1.00 95.22 C +ATOM 1109 O LEU A 137 4.213 -2.408 33.436 1.00 93.96 O +ATOM 1110 CG LEU A 137 5.830 -4.426 30.775 1.00 95.09 C +ATOM 1111 CD1 LEU A 137 7.107 -4.113 30.004 1.00 94.01 C +ATOM 1112 CD2 LEU A 137 5.221 -5.741 30.299 1.00 93.69 C +ATOM 1113 N PHE A 138 5.361 -1.224 31.955 1.00 92.41 N +ATOM 1114 CA PHE A 138 4.259 -0.409 31.460 1.00 92.82 C +ATOM 1115 C PHE A 138 3.837 -0.858 30.066 1.00 92.86 C +ATOM 1116 CB PHE A 138 4.652 1.072 31.437 1.00 91.73 C +ATOM 1117 O PHE A 138 4.678 -1.028 29.181 1.00 92.22 O +ATOM 1118 CG PHE A 138 3.640 1.958 30.763 1.00 88.97 C +ATOM 1119 CD1 PHE A 138 2.368 2.117 31.299 1.00 85.57 C +ATOM 1120 CD2 PHE A 138 3.961 2.633 29.592 1.00 85.87 C +ATOM 1121 CE1 PHE A 138 1.429 2.937 30.677 1.00 85.77 C +ATOM 1122 CE2 PHE A 138 3.028 3.454 28.965 1.00 86.01 C +ATOM 1123 CZ PHE A 138 1.762 3.604 29.508 1.00 84.98 C +ATOM 1124 N ILE A 139 2.489 -1.048 29.813 1.00 93.75 N +ATOM 1125 CA ILE A 139 1.958 -1.429 28.508 1.00 93.86 C +ATOM 1126 C ILE A 139 1.162 -0.268 27.916 1.00 92.59 C +ATOM 1127 CB ILE A 139 1.073 -2.691 28.605 1.00 93.71 C +ATOM 1128 O ILE A 139 0.046 0.017 28.357 1.00 90.71 O +ATOM 1129 CG1 ILE A 139 1.816 -3.809 29.346 1.00 94.01 C +ATOM 1130 CG2 ILE A 139 0.637 -3.153 27.211 1.00 93.87 C +ATOM 1131 CD1 ILE A 139 1.039 -5.115 29.435 1.00 93.32 C +ATOM 1132 N SER A 140 1.688 0.352 26.887 1.00 89.72 N +ATOM 1133 CA SER A 140 0.980 1.338 26.077 1.00 89.73 C +ATOM 1134 C SER A 140 0.198 0.670 24.951 1.00 90.04 C +ATOM 1135 CB SER A 140 1.960 2.356 25.494 1.00 88.67 C +ATOM 1136 O SER A 140 0.740 -0.161 24.219 1.00 89.45 O +ATOM 1137 OG SER A 140 1.266 3.402 24.834 1.00 85.73 O +ATOM 1138 N HIS A 141 -1.094 1.033 24.720 1.00 89.45 N +ATOM 1139 CA HIS A 141 -1.963 0.336 23.778 1.00 89.57 C +ATOM 1140 C HIS A 141 -3.118 1.226 23.332 1.00 88.56 C +ATOM 1141 CB HIS A 141 -2.502 -0.953 24.400 1.00 88.85 C +ATOM 1142 O HIS A 141 -3.421 2.229 23.982 1.00 86.81 O +ATOM 1143 CG HIS A 141 -3.368 -0.724 25.599 1.00 87.89 C +ATOM 1144 CD2 HIS A 141 -4.713 -0.770 25.745 1.00 85.79 C +ATOM 1145 ND1 HIS A 141 -2.855 -0.400 26.836 1.00 85.65 N +ATOM 1146 CE1 HIS A 141 -3.851 -0.257 27.695 1.00 85.77 C +ATOM 1147 NE2 HIS A 141 -4.989 -0.476 27.058 1.00 85.58 N +ATOM 1148 N ALA A 142 -3.797 0.856 22.280 1.00 87.43 N +ATOM 1149 CA ALA A 142 -5.092 1.421 21.911 1.00 87.38 C +ATOM 1150 C ALA A 142 -6.201 0.886 22.813 1.00 87.45 C +ATOM 1151 CB ALA A 142 -5.407 1.117 20.449 1.00 86.38 C +ATOM 1152 O ALA A 142 -6.110 -0.234 23.322 1.00 86.49 O +ATOM 1153 N SER A 143 -7.333 1.627 22.961 1.00 86.41 N +ATOM 1154 CA SER A 143 -8.433 1.236 23.835 1.00 86.70 C +ATOM 1155 C SER A 143 -9.108 -0.039 23.339 1.00 87.48 C +ATOM 1156 CB SER A 143 -9.464 2.361 23.937 1.00 85.03 C +ATOM 1157 O SER A 143 -9.578 -0.851 24.139 1.00 86.93 O +ATOM 1158 OG SER A 143 -9.829 2.827 22.649 1.00 78.10 O +ATOM 1159 N GLU A 144 -9.116 -0.200 22.040 1.00 88.06 N +ATOM 1160 CA GLU A 144 -9.714 -1.319 21.318 1.00 88.90 C +ATOM 1161 C GLU A 144 -8.958 -2.617 21.586 1.00 89.56 C +ATOM 1162 CB GLU A 144 -9.749 -1.031 19.815 1.00 88.27 C +ATOM 1163 O GLU A 144 -9.554 -3.696 21.603 1.00 89.34 O +ATOM 1164 CG GLU A 144 -10.650 0.133 19.432 1.00 87.11 C +ATOM 1165 CD GLU A 144 -10.031 1.492 19.721 1.00 85.33 C +ATOM 1166 OE1 GLU A 144 -8.852 1.545 20.138 1.00 85.59 O +ATOM 1167 OE2 GLU A 144 -10.732 2.511 19.529 1.00 85.00 O +ATOM 1168 N ASP A 145 -7.659 -2.558 21.854 1.00 91.74 N +ATOM 1169 CA ASP A 145 -6.802 -3.721 22.062 1.00 92.43 C +ATOM 1170 C ASP A 145 -6.848 -4.184 23.517 1.00 92.67 C +ATOM 1171 CB ASP A 145 -5.361 -3.405 21.656 1.00 91.87 C +ATOM 1172 O ASP A 145 -6.276 -5.220 23.862 1.00 92.09 O +ATOM 1173 CG ASP A 145 -5.221 -3.067 20.182 1.00 90.61 C +ATOM 1174 OD1 ASP A 145 -5.750 -3.816 19.332 1.00 88.96 O +ATOM 1175 OD2 ASP A 145 -4.573 -2.046 19.868 1.00 89.68 O +ATOM 1176 N LYS A 146 -7.528 -3.497 24.387 1.00 92.02 N +ATOM 1177 CA LYS A 146 -7.472 -3.677 25.834 1.00 92.45 C +ATOM 1178 C LYS A 146 -8.044 -5.032 26.242 1.00 92.50 C +ATOM 1179 CB LYS A 146 -8.229 -2.554 26.545 1.00 91.31 C +ATOM 1180 O LYS A 146 -7.400 -5.789 26.972 1.00 91.83 O +ATOM 1181 CG LYS A 146 -8.171 -2.633 28.063 1.00 88.65 C +ATOM 1182 CD LYS A 146 -8.789 -1.400 28.711 1.00 86.40 C +ATOM 1183 CE LYS A 146 -8.710 -1.467 30.230 1.00 83.80 C +ATOM 1184 NZ LYS A 146 -9.128 -0.181 30.864 1.00 80.61 N +ATOM 1185 N GLU A 147 -9.288 -5.295 25.766 1.00 92.83 N +ATOM 1186 CA GLU A 147 -10.018 -6.461 26.252 1.00 93.29 C +ATOM 1187 C GLU A 147 -9.558 -7.734 25.546 1.00 93.60 C +ATOM 1188 CB GLU A 147 -11.525 -6.270 26.063 1.00 92.18 C +ATOM 1189 O GLU A 147 -9.387 -8.776 26.182 1.00 93.20 O +ATOM 1190 CG GLU A 147 -12.109 -5.131 26.886 1.00 90.01 C +ATOM 1191 CD GLU A 147 -11.867 -5.284 28.379 1.00 88.71 C +ATOM 1192 OE1 GLU A 147 -11.861 -6.433 28.878 1.00 87.40 O +ATOM 1193 OE2 GLU A 147 -11.684 -4.248 29.056 1.00 87.86 O +ATOM 1194 N ASP A 148 -9.244 -7.628 24.246 1.00 95.19 N +ATOM 1195 CA ASP A 148 -8.943 -8.790 23.415 1.00 95.29 C +ATOM 1196 C ASP A 148 -7.505 -9.258 23.625 1.00 96.05 C +ATOM 1197 CB ASP A 148 -9.181 -8.469 21.938 1.00 93.42 C +ATOM 1198 O ASP A 148 -7.206 -10.445 23.478 1.00 95.68 O +ATOM 1199 CG ASP A 148 -10.654 -8.422 21.571 1.00 83.59 C +ATOM 1200 OD1 ASP A 148 -11.489 -8.962 22.328 1.00 79.79 O +ATOM 1201 OD2 ASP A 148 -10.983 -7.842 20.513 1.00 83.52 O +ATOM 1202 N PHE A 149 -6.568 -8.348 23.961 1.00 96.53 N +ATOM 1203 CA PHE A 149 -5.156 -8.712 23.936 1.00 96.88 C +ATOM 1204 C PHE A 149 -4.448 -8.218 25.192 1.00 97.07 C +ATOM 1205 CB PHE A 149 -4.474 -8.140 22.690 1.00 96.75 C +ATOM 1206 O PHE A 149 -3.839 -9.007 25.918 1.00 96.71 O +ATOM 1207 CG PHE A 149 -3.001 -8.440 22.612 1.00 96.44 C +ATOM 1208 CD1 PHE A 149 -2.553 -9.722 22.318 1.00 95.43 C +ATOM 1209 CD2 PHE A 149 -2.064 -7.439 22.834 1.00 95.28 C +ATOM 1210 CE1 PHE A 149 -1.191 -10.003 22.246 1.00 94.85 C +ATOM 1211 CE2 PHE A 149 -0.701 -7.712 22.763 1.00 94.99 C +ATOM 1212 CZ PHE A 149 -0.267 -8.995 22.470 1.00 94.70 C +ATOM 1213 N VAL A 150 -4.524 -6.970 25.666 1.00 95.41 N +ATOM 1214 CA VAL A 150 -3.671 -6.338 26.667 1.00 95.65 C +ATOM 1215 C VAL A 150 -4.011 -6.882 28.053 1.00 95.62 C +ATOM 1216 CB VAL A 150 -3.817 -4.800 26.648 1.00 95.04 C +ATOM 1217 O VAL A 150 -3.115 -7.205 28.836 1.00 95.11 O +ATOM 1218 CG1 VAL A 150 -3.031 -4.169 27.797 1.00 92.28 C +ATOM 1219 CG2 VAL A 150 -3.352 -4.237 25.306 1.00 92.05 C +ATOM 1220 N ARG A 151 -5.280 -6.969 28.367 1.00 95.32 N +ATOM 1221 CA ARG A 151 -5.693 -7.510 29.658 1.00 95.59 C +ATOM 1222 C ARG A 151 -5.255 -8.963 29.808 1.00 95.90 C +ATOM 1223 CB ARG A 151 -7.209 -7.399 29.828 1.00 94.58 C +ATOM 1224 O ARG A 151 -4.558 -9.312 30.762 1.00 95.70 O +ATOM 1225 CG ARG A 151 -7.722 -7.943 31.152 1.00 90.69 C +ATOM 1226 CD ARG A 151 -9.237 -7.833 31.258 1.00 88.67 C +ATOM 1227 NE ARG A 151 -9.685 -6.448 31.144 1.00 87.46 N +ATOM 1228 NH1 ARG A 151 -10.865 -6.449 33.131 1.00 80.64 N +ATOM 1229 NH2 ARG A 151 -10.798 -4.561 31.833 1.00 77.72 N +ATOM 1230 CZ ARG A 151 -10.449 -5.823 32.036 1.00 82.64 C +ATOM 1231 N PRO A 152 -5.539 -9.902 28.820 1.00 97.08 N +ATOM 1232 CA PRO A 152 -5.044 -11.276 28.933 1.00 97.30 C +ATOM 1233 C PRO A 152 -3.522 -11.347 29.040 1.00 97.59 C +ATOM 1234 CB PRO A 152 -5.533 -11.934 27.641 1.00 96.86 C +ATOM 1235 O PRO A 152 -2.992 -12.123 29.839 1.00 97.51 O +ATOM 1236 CG PRO A 152 -6.748 -11.156 27.251 1.00 95.78 C +ATOM 1237 CD PRO A 152 -6.517 -9.711 27.589 1.00 95.18 C +ATOM 1238 N LEU A 153 -2.755 -10.483 28.311 1.00 97.89 N +ATOM 1239 CA LEU A 153 -1.300 -10.402 28.384 1.00 97.97 C +ATOM 1240 C LEU A 153 -0.851 -9.947 29.769 1.00 97.94 C +ATOM 1241 CB LEU A 153 -0.762 -9.443 27.320 1.00 97.97 C +ATOM 1242 O LEU A 153 0.037 -10.558 30.370 1.00 97.65 O +ATOM 1243 CG LEU A 153 0.749 -9.206 27.322 1.00 97.79 C +ATOM 1244 CD1 LEU A 153 1.490 -10.506 27.028 1.00 97.29 C +ATOM 1245 CD2 LEU A 153 1.123 -8.129 26.309 1.00 97.23 C +ATOM 1246 N ALA A 154 -1.467 -8.927 30.321 1.00 96.78 N +ATOM 1247 CA ALA A 154 -1.132 -8.377 31.632 1.00 96.81 C +ATOM 1248 C ALA A 154 -1.425 -9.384 32.740 1.00 96.65 C +ATOM 1249 CB ALA A 154 -1.901 -7.081 31.878 1.00 96.28 C +ATOM 1250 O ALA A 154 -0.605 -9.584 33.639 1.00 96.11 O +ATOM 1251 N GLU A 155 -2.550 -10.063 32.700 1.00 96.23 N +ATOM 1252 CA GLU A 155 -2.925 -11.114 33.641 1.00 96.52 C +ATOM 1253 C GLU A 155 -1.935 -12.274 33.596 1.00 96.72 C +ATOM 1254 CB GLU A 155 -4.340 -11.618 33.350 1.00 96.19 C +ATOM 1255 O GLU A 155 -1.473 -12.745 34.637 1.00 96.63 O +ATOM 1256 CG GLU A 155 -5.435 -10.636 33.739 1.00 94.95 C +ATOM 1257 CD GLU A 155 -6.824 -11.085 33.312 1.00 93.66 C +ATOM 1258 OE1 GLU A 155 -6.950 -12.172 32.705 1.00 93.44 O +ATOM 1259 OE2 GLU A 155 -7.793 -10.342 33.585 1.00 93.65 O +ATOM 1260 N THR A 156 -1.497 -12.703 32.388 1.00 97.58 N +ATOM 1261 CA THR A 156 -0.506 -13.761 32.226 1.00 97.80 C +ATOM 1262 C THR A 156 0.854 -13.314 32.756 1.00 97.77 C +ATOM 1263 CB THR A 156 -0.372 -14.180 30.750 1.00 97.46 C +ATOM 1264 O THR A 156 1.522 -14.061 33.474 1.00 97.53 O +ATOM 1265 CG2 THR A 156 0.570 -15.370 30.599 1.00 95.04 C +ATOM 1266 OG1 THR A 156 -1.663 -14.540 30.243 1.00 95.84 O +ATOM 1267 N LEU A 157 1.322 -12.073 32.544 1.00 98.10 N +ATOM 1268 CA LEU A 157 2.563 -11.500 33.054 1.00 98.18 C +ATOM 1269 C LEU A 157 2.530 -11.400 34.576 1.00 97.91 C +ATOM 1270 CB LEU A 157 2.805 -10.117 32.445 1.00 98.18 C +ATOM 1271 O LEU A 157 3.516 -11.717 35.245 1.00 97.46 O +ATOM 1272 CG LEU A 157 3.371 -10.091 31.024 1.00 97.89 C +ATOM 1273 CD1 LEU A 157 3.239 -8.695 30.426 1.00 97.21 C +ATOM 1274 CD2 LEU A 157 4.826 -10.545 31.019 1.00 97.14 C +ATOM 1275 N GLN A 158 1.373 -11.039 35.196 1.00 96.78 N +ATOM 1276 CA GLN A 158 1.191 -10.977 36.643 1.00 96.79 C +ATOM 1277 C GLN A 158 1.285 -12.365 37.270 1.00 96.67 C +ATOM 1278 CB GLN A 158 -0.154 -10.335 36.988 1.00 96.19 C +ATOM 1279 O GLN A 158 1.907 -12.536 38.320 1.00 96.22 O +ATOM 1280 CG GLN A 158 -0.180 -8.824 36.803 1.00 92.76 C +ATOM 1281 CD GLN A 158 -1.568 -8.235 36.976 1.00 89.19 C +ATOM 1282 NE2 GLN A 158 -1.649 -6.909 37.011 1.00 90.28 N +ATOM 1283 OE1 GLN A 158 -2.559 -8.966 37.076 1.00 90.46 O +ATOM 1284 N GLN A 159 0.845 -13.430 36.588 1.00 97.57 N +ATOM 1285 CA GLN A 159 0.980 -14.820 37.013 1.00 97.62 C +ATOM 1286 C GLN A 159 2.439 -15.265 36.982 1.00 97.38 C +ATOM 1287 CB GLN A 159 0.133 -15.736 36.128 1.00 97.40 C +ATOM 1288 O GLN A 159 2.857 -16.099 37.789 1.00 97.04 O +ATOM 1289 CG GLN A 159 -1.366 -15.586 36.345 1.00 96.09 C +ATOM 1290 CD GLN A 159 -2.187 -16.334 35.312 1.00 94.28 C +ATOM 1291 NE2 GLN A 159 -3.473 -16.010 35.227 1.00 94.48 N +ATOM 1292 OE1 GLN A 159 -1.669 -17.196 34.594 1.00 94.75 O +ATOM 1293 N LEU A 160 3.278 -14.661 36.121 1.00 97.82 N +ATOM 1294 CA LEU A 160 4.700 -14.950 35.974 1.00 97.87 C +ATOM 1295 C LEU A 160 5.530 -14.090 36.922 1.00 97.19 C +ATOM 1296 CB LEU A 160 5.149 -14.716 34.529 1.00 97.86 C +ATOM 1297 O LEU A 160 6.761 -14.152 36.906 1.00 96.00 O +ATOM 1298 CG LEU A 160 4.574 -15.666 33.478 1.00 97.69 C +ATOM 1299 CD1 LEU A 160 4.956 -15.201 32.077 1.00 96.93 C +ATOM 1300 CD2 LEU A 160 5.056 -17.092 33.725 1.00 96.85 C +ATOM 1301 N GLY A 161 4.918 -13.289 37.790 1.00 97.44 N +ATOM 1302 CA GLY A 161 5.563 -12.501 38.828 1.00 97.42 C +ATOM 1303 C GLY A 161 6.011 -11.134 38.348 1.00 97.19 C +ATOM 1304 O GLY A 161 6.776 -10.450 39.031 1.00 96.47 O +ATOM 1305 N VAL A 162 5.617 -10.628 37.186 1.00 97.35 N +ATOM 1306 CA VAL A 162 5.889 -9.295 36.657 1.00 97.39 C +ATOM 1307 C VAL A 162 4.792 -8.330 37.099 1.00 96.98 C +ATOM 1308 CB VAL A 162 5.998 -9.308 35.116 1.00 97.22 C +ATOM 1309 O VAL A 162 3.615 -8.536 36.795 1.00 96.01 O +ATOM 1310 CG1 VAL A 162 6.378 -7.925 34.590 1.00 96.19 C +ATOM 1311 CG2 VAL A 162 7.015 -10.354 34.662 1.00 96.10 C +ATOM 1312 N ASN A 163 5.166 -7.307 37.790 1.00 95.80 N +ATOM 1313 CA ASN A 163 4.246 -6.234 38.150 1.00 95.72 C +ATOM 1314 C ASN A 163 3.970 -5.312 36.966 1.00 95.73 C +ATOM 1315 CB ASN A 163 4.793 -5.431 39.332 1.00 94.05 C +ATOM 1316 O ASN A 163 4.845 -4.552 36.547 1.00 94.88 O +ATOM 1317 CG ASN A 163 3.768 -4.479 39.916 1.00 84.31 C +ATOM 1318 ND2 ASN A 163 4.236 -3.499 40.680 1.00 78.41 N +ATOM 1319 OD1 ASN A 163 2.565 -4.624 39.683 1.00 77.76 O +ATOM 1320 N VAL A 164 2.753 -5.327 36.456 1.00 95.53 N +ATOM 1321 CA VAL A 164 2.395 -4.694 35.191 1.00 95.57 C +ATOM 1322 C VAL A 164 1.464 -3.512 35.449 1.00 94.43 C +ATOM 1323 CB VAL A 164 1.728 -5.697 34.223 1.00 95.05 C +ATOM 1324 O VAL A 164 0.444 -3.655 36.127 1.00 92.42 O +ATOM 1325 CG1 VAL A 164 1.458 -5.044 32.869 1.00 92.64 C +ATOM 1326 CG2 VAL A 164 2.603 -6.939 34.055 1.00 91.83 C +ATOM 1327 N TRP A 165 1.761 -2.423 34.842 1.00 92.75 N +ATOM 1328 CA TRP A 165 0.839 -1.301 34.705 1.00 93.16 C +ATOM 1329 C TRP A 165 0.312 -1.201 33.277 1.00 92.27 C +ATOM 1330 CB TRP A 165 1.524 0.010 35.102 1.00 91.12 C +ATOM 1331 O TRP A 165 1.087 -1.033 32.333 1.00 90.20 O +ATOM 1332 CG TRP A 165 0.597 1.187 35.165 1.00 81.04 C +ATOM 1333 CD1 TRP A 165 -0.753 1.162 35.376 1.00 72.69 C +ATOM 1334 CD2 TRP A 165 0.953 2.564 35.009 1.00 74.19 C +ATOM 1335 CE2 TRP A 165 -0.233 3.320 35.139 1.00 74.81 C +ATOM 1336 CE3 TRP A 165 2.162 3.233 34.772 1.00 69.53 C +ATOM 1337 NE1 TRP A 165 -1.258 2.441 35.362 1.00 79.27 N +ATOM 1338 CH2 TRP A 165 0.951 5.342 34.808 1.00 72.21 C +ATOM 1339 CZ2 TRP A 165 -0.245 4.713 35.040 1.00 77.36 C +ATOM 1340 CZ3 TRP A 165 2.148 4.619 34.674 1.00 72.64 C +ATOM 1341 N TYR A 166 -1.038 -1.352 33.040 1.00 91.58 N +ATOM 1342 CA TYR A 166 -1.638 -1.190 31.720 1.00 91.22 C +ATOM 1343 C TYR A 166 -2.969 -0.454 31.813 1.00 87.01 C +ATOM 1344 CB TYR A 166 -1.840 -2.553 31.051 1.00 90.42 C +ATOM 1345 O TYR A 166 -3.790 -0.526 30.895 1.00 79.31 O +ATOM 1346 CG TYR A 166 -2.821 -3.444 31.773 1.00 91.79 C +ATOM 1347 CD1 TYR A 166 -2.420 -4.218 32.859 1.00 90.34 C +ATOM 1348 CD2 TYR A 166 -4.150 -3.515 31.369 1.00 90.14 C +ATOM 1349 CE1 TYR A 166 -3.321 -5.043 33.526 1.00 90.75 C +ATOM 1350 CE2 TYR A 166 -5.059 -4.336 32.029 1.00 90.81 C +ATOM 1351 OH TYR A 166 -5.531 -5.909 33.761 1.00 84.99 O +ATOM 1352 CZ TYR A 166 -4.636 -5.094 33.105 1.00 90.54 C +ATOM 1353 N ASP A 167 -3.304 0.143 33.014 1.00 77.14 N +ATOM 1354 CA ASP A 167 -4.620 0.627 33.420 1.00 75.36 C +ATOM 1355 C ASP A 167 -5.155 1.658 32.428 1.00 74.50 C +ATOM 1356 CB ASP A 167 -4.560 1.230 34.825 1.00 67.41 C +ATOM 1357 O ASP A 167 -4.382 2.297 31.712 1.00 65.22 O +ATOM 1358 CG ASP A 167 -5.829 0.996 35.625 1.00 60.63 C +ATOM 1359 OD1 ASP A 167 -6.792 0.409 35.084 1.00 55.47 O +ATOM 1360 OD2 ASP A 167 -5.869 1.405 36.805 1.00 58.64 O +ATOM 1361 N GLU A 168 -6.518 1.759 32.284 1.00 60.96 N +ATOM 1362 CA GLU A 168 -7.357 2.690 31.536 1.00 59.32 C +ATOM 1363 C GLU A 168 -6.750 4.090 31.522 1.00 60.68 C +ATOM 1364 CB GLU A 168 -8.769 2.735 32.125 1.00 52.40 C +ATOM 1365 O GLU A 168 -6.698 4.761 32.555 1.00 57.00 O +ATOM 1366 CG GLU A 168 -9.692 1.648 31.594 1.00 48.19 C +ATOM 1367 CD GLU A 168 -11.106 1.738 32.147 1.00 49.83 C +ATOM 1368 OE1 GLU A 168 -11.367 2.612 33.005 1.00 51.54 O +ATOM 1369 OE2 GLU A 168 -11.958 0.928 31.720 1.00 45.17 O +ATOM 1370 N PHE A 169 -6.006 4.394 30.621 1.00 65.33 N +ATOM 1371 CA PHE A 169 -6.101 5.802 30.253 1.00 63.96 C +ATOM 1372 C PHE A 169 -7.539 6.293 30.358 1.00 66.24 C +ATOM 1373 CB PHE A 169 -5.572 6.024 28.832 1.00 60.00 C +ATOM 1374 O PHE A 169 -8.249 6.373 29.353 1.00 63.24 O +ATOM 1375 CG PHE A 169 -4.091 5.794 28.693 1.00 57.96 C +ATOM 1376 CD1 PHE A 169 -3.180 6.715 29.193 1.00 56.15 C +ATOM 1377 CD2 PHE A 169 -3.611 4.654 28.060 1.00 57.17 C +ATOM 1378 CE1 PHE A 169 -1.809 6.504 29.065 1.00 55.60 C +ATOM 1379 CE2 PHE A 169 -2.243 4.437 27.929 1.00 51.41 C +ATOM 1380 CZ PHE A 169 -1.343 5.363 28.431 1.00 58.34 C +ATOM 1381 N THR A 170 -8.270 6.039 31.468 1.00 67.15 N +ATOM 1382 CA THR A 170 -9.362 6.998 31.596 1.00 66.75 C +ATOM 1383 C THR A 170 -8.856 8.424 31.396 1.00 68.33 C +ATOM 1384 CB THR A 170 -10.051 6.882 32.968 1.00 63.42 C +ATOM 1385 O THR A 170 -8.465 9.089 32.357 1.00 67.28 O +ATOM 1386 CG2 THR A 170 -11.522 7.273 32.880 1.00 58.87 C +ATOM 1387 OG1 THR A 170 -9.954 5.530 33.432 1.00 59.64 O +ATOM 1388 N LEU A 171 -8.628 8.664 30.186 1.00 69.98 N +ATOM 1389 CA LEU A 171 -8.422 10.072 29.869 1.00 70.62 C +ATOM 1390 C LEU A 171 -9.586 10.919 30.372 1.00 72.75 C +ATOM 1391 CB LEU A 171 -8.253 10.262 28.359 1.00 67.29 C +ATOM 1392 O LEU A 171 -10.701 10.821 29.854 1.00 72.54 O +ATOM 1393 CG LEU A 171 -6.992 9.662 27.737 1.00 65.66 C +ATOM 1394 CD1 LEU A 171 -7.049 9.766 26.216 1.00 63.48 C +ATOM 1395 CD2 LEU A 171 -5.746 10.356 28.278 1.00 64.73 C +ATOM 1396 N LYS A 172 -9.405 11.510 31.501 1.00 75.08 N +ATOM 1397 CA LYS A 172 -10.300 12.618 31.821 1.00 76.16 C +ATOM 1398 C LYS A 172 -10.152 13.753 30.812 1.00 77.62 C +ATOM 1399 CB LYS A 172 -10.030 13.136 33.235 1.00 74.46 C +ATOM 1400 O LYS A 172 -9.072 13.958 30.253 1.00 78.14 O +ATOM 1401 CG LYS A 172 -10.283 12.109 34.329 1.00 73.26 C +ATOM 1402 CD LYS A 172 -9.995 12.681 35.710 1.00 73.56 C +ATOM 1403 CE LYS A 172 -10.186 11.636 36.801 1.00 73.15 C +ATOM 1404 NZ LYS A 172 -9.834 12.171 38.150 1.00 70.82 N +ATOM 1405 N VAL A 173 -11.268 14.349 30.451 1.00 72.81 N +ATOM 1406 CA VAL A 173 -11.244 15.529 29.593 1.00 75.88 C +ATOM 1407 C VAL A 173 -10.185 16.510 30.092 1.00 75.85 C +ATOM 1408 CB VAL A 173 -12.626 16.219 29.539 1.00 70.22 C +ATOM 1409 O VAL A 173 -10.277 17.015 31.214 1.00 75.16 O +ATOM 1410 CG1 VAL A 173 -12.579 17.451 28.637 1.00 66.13 C +ATOM 1411 CG2 VAL A 173 -13.692 15.238 29.055 1.00 61.60 C +ATOM 1412 N GLY A 174 -9.130 16.677 29.260 1.00 79.28 N +ATOM 1413 CA GLY A 174 -8.028 17.590 29.517 1.00 80.22 C +ATOM 1414 C GLY A 174 -6.729 16.879 29.847 1.00 78.79 C +ATOM 1415 O GLY A 174 -5.661 17.494 29.846 1.00 76.76 O +ATOM 1416 N ASP A 175 -6.788 15.664 30.205 1.00 79.07 N +ATOM 1417 CA ASP A 175 -5.551 14.912 30.391 1.00 78.74 C +ATOM 1418 C ASP A 175 -4.808 14.740 29.068 1.00 78.20 C +ATOM 1419 CB ASP A 175 -5.842 13.544 31.012 1.00 76.58 C +ATOM 1420 O ASP A 175 -5.401 14.333 28.066 1.00 75.27 O +ATOM 1421 CG ASP A 175 -6.242 13.630 32.475 1.00 74.33 C +ATOM 1422 OD1 ASP A 175 -5.957 14.658 33.125 1.00 74.52 O +ATOM 1423 OD2 ASP A 175 -6.845 12.659 32.981 1.00 76.70 O +ATOM 1424 N SER A 176 -3.554 15.145 29.077 1.00 80.84 N +ATOM 1425 CA SER A 176 -2.704 14.802 27.942 1.00 80.76 C +ATOM 1426 C SER A 176 -2.284 13.337 27.988 1.00 80.99 C +ATOM 1427 CB SER A 176 -1.464 15.697 27.911 1.00 79.11 C +ATOM 1428 O SER A 176 -1.738 12.874 28.992 1.00 79.18 O +ATOM 1429 OG SER A 176 -0.548 15.322 28.926 1.00 74.16 O +ATOM 1430 N LEU A 177 -2.602 12.556 27.060 1.00 78.82 N +ATOM 1431 CA LEU A 177 -2.168 11.174 26.885 1.00 79.07 C +ATOM 1432 C LEU A 177 -0.663 11.047 27.093 1.00 79.84 C +ATOM 1433 CB LEU A 177 -2.547 10.666 25.491 1.00 77.24 C +ATOM 1434 O LEU A 177 -0.203 10.134 27.784 1.00 78.72 O +ATOM 1435 CG LEU A 177 -2.178 9.216 25.175 1.00 73.31 C +ATOM 1436 CD1 LEU A 177 -2.881 8.268 26.141 1.00 69.70 C +ATOM 1437 CD2 LEU A 177 -2.532 8.876 23.731 1.00 70.04 C +ATOM 1438 N ARG A 178 0.052 12.029 26.686 1.00 79.85 N +ATOM 1439 CA ARG A 178 1.496 12.140 26.865 1.00 80.37 C +ATOM 1440 C ARG A 178 1.870 12.084 28.342 1.00 81.03 C +ATOM 1441 CB ARG A 178 2.017 13.436 26.240 1.00 78.87 C +ATOM 1442 O ARG A 178 2.764 11.330 28.733 1.00 80.52 O +ATOM 1443 CG ARG A 178 3.525 13.601 26.332 1.00 75.98 C +ATOM 1444 CD ARG A 178 4.002 14.847 25.599 1.00 75.04 C +ATOM 1445 NE ARG A 178 5.446 15.024 25.720 1.00 67.60 N +ATOM 1446 NH1 ARG A 178 5.549 16.851 24.309 1.00 65.50 N +ATOM 1447 NH2 ARG A 178 7.459 16.042 25.285 1.00 62.13 N +ATOM 1448 CZ ARG A 178 6.148 15.972 25.105 1.00 69.25 C +ATOM 1449 N GLN A 179 1.288 12.867 29.177 1.00 81.32 N +ATOM 1450 CA GLN A 179 1.591 12.899 30.604 1.00 81.72 C +ATOM 1451 C GLN A 179 1.350 11.537 31.248 1.00 82.30 C +ATOM 1452 CB GLN A 179 0.754 13.968 31.307 1.00 80.43 C +ATOM 1453 O GLN A 179 2.110 11.114 32.122 1.00 81.95 O +ATOM 1454 CG GLN A 179 1.229 15.392 31.046 1.00 78.07 C +ATOM 1455 CD GLN A 179 0.296 16.437 31.628 1.00 77.08 C +ATOM 1456 NE2 GLN A 179 0.748 17.687 31.653 1.00 74.98 N +ATOM 1457 OE1 GLN A 179 -0.821 16.125 32.052 1.00 76.41 O +ATOM 1458 N LYS A 180 0.415 10.834 30.787 1.00 82.74 N +ATOM 1459 CA LYS A 180 0.110 9.509 31.320 1.00 83.00 C +ATOM 1460 C LYS A 180 1.139 8.481 30.859 1.00 83.51 C +ATOM 1461 CB LYS A 180 -1.293 9.071 30.898 1.00 81.48 C +ATOM 1462 O LYS A 180 1.670 7.720 31.671 1.00 82.85 O +ATOM 1463 CG LYS A 180 -2.413 9.763 31.662 1.00 77.68 C +ATOM 1464 CD LYS A 180 -3.723 8.994 31.550 1.00 76.28 C +ATOM 1465 CE LYS A 180 -4.808 9.606 32.426 1.00 71.13 C +ATOM 1466 NZ LYS A 180 -6.048 8.774 32.435 1.00 67.92 N +ATOM 1467 N ILE A 181 1.471 8.497 29.566 1.00 83.37 N +ATOM 1468 CA ILE A 181 2.547 7.657 29.050 1.00 83.63 C +ATOM 1469 C ILE A 181 3.851 7.988 29.771 1.00 83.97 C +ATOM 1470 CB ILE A 181 2.719 7.833 27.524 1.00 82.61 C +ATOM 1471 O ILE A 181 4.536 7.092 30.271 1.00 83.29 O +ATOM 1472 CG1 ILE A 181 1.504 7.265 26.781 1.00 81.67 C +ATOM 1473 CG2 ILE A 181 4.013 7.169 27.046 1.00 81.61 C +ATOM 1474 CD1 ILE A 181 1.481 7.589 25.294 1.00 79.59 C +ATOM 1475 N ASP A 182 4.089 9.296 30.011 1.00 83.71 N +ATOM 1476 CA ASP A 182 5.275 9.757 30.725 1.00 83.89 C +ATOM 1477 C ASP A 182 5.256 9.292 32.179 1.00 84.55 C +ATOM 1478 CB ASP A 182 5.381 11.282 30.663 1.00 82.35 C +ATOM 1479 O ASP A 182 6.282 8.866 32.714 1.00 83.86 O +ATOM 1480 CG ASP A 182 5.992 11.782 29.366 1.00 77.65 C +ATOM 1481 OD1 ASP A 182 6.623 10.982 28.641 1.00 75.51 O +ATOM 1482 OD2 ASP A 182 5.844 12.987 29.067 1.00 76.15 O +ATOM 1483 N SER A 183 4.177 9.343 32.769 1.00 84.23 N +ATOM 1484 CA SER A 183 4.014 8.871 34.140 1.00 84.53 C +ATOM 1485 C SER A 183 4.164 7.356 34.224 1.00 85.36 C +ATOM 1486 CB SER A 183 2.650 9.288 34.693 1.00 83.08 C +ATOM 1487 O SER A 183 4.881 6.844 35.087 1.00 85.07 O +ATOM 1488 OG SER A 183 2.548 8.972 36.070 1.00 77.60 O +ATOM 1489 N GLY A 184 3.510 6.616 33.340 1.00 86.14 N +ATOM 1490 CA GLY A 184 3.646 5.170 33.270 1.00 86.72 C +ATOM 1491 C GLY A 184 5.079 4.715 33.065 1.00 87.15 C +ATOM 1492 O GLY A 184 5.586 3.884 33.822 1.00 86.54 O +ATOM 1493 N LEU A 185 5.797 5.347 32.188 1.00 87.63 N +ATOM 1494 CA LEU A 185 7.197 5.053 31.900 1.00 87.67 C +ATOM 1495 C LEU A 185 8.090 5.468 33.065 1.00 87.11 C +ATOM 1496 CB LEU A 185 7.642 5.768 30.621 1.00 86.56 C +ATOM 1497 O LEU A 185 9.047 4.766 33.399 1.00 85.74 O +ATOM 1498 CG LEU A 185 7.110 5.197 29.306 1.00 84.50 C +ATOM 1499 CD1 LEU A 185 7.483 6.110 28.143 1.00 81.54 C +ATOM 1500 CD2 LEU A 185 7.645 3.787 29.079 1.00 81.82 C +ATOM 1501 N ARG A 186 7.761 6.526 33.782 1.00 85.69 N +ATOM 1502 CA ARG A 186 8.536 6.946 34.945 1.00 85.41 C +ATOM 1503 C ARG A 186 8.401 5.942 36.085 1.00 86.00 C +ATOM 1504 CB ARG A 186 8.093 8.334 35.414 1.00 83.56 C +ATOM 1505 O ARG A 186 9.390 5.592 36.731 1.00 85.08 O +ATOM 1506 CG ARG A 186 8.675 9.475 34.596 1.00 77.62 C +ATOM 1507 CD ARG A 186 8.193 10.830 35.095 1.00 75.58 C +ATOM 1508 NE ARG A 186 8.145 11.815 34.018 1.00 69.85 N +ATOM 1509 NH1 ARG A 186 7.404 13.547 35.356 1.00 62.62 N +ATOM 1510 NH2 ARG A 186 7.764 13.894 33.119 1.00 58.94 N +ATOM 1511 CZ ARG A 186 7.771 13.083 34.167 1.00 68.71 C +ATOM 1512 N ASN A 187 7.279 5.402 36.226 1.00 87.44 N +ATOM 1513 CA ASN A 187 6.962 4.529 37.352 1.00 88.33 C +ATOM 1514 C ASN A 187 7.210 3.063 37.011 1.00 89.27 C +ATOM 1515 CB ASN A 187 5.513 4.734 37.798 1.00 86.97 C +ATOM 1516 O ASN A 187 6.920 2.176 37.817 1.00 88.98 O +ATOM 1517 CG ASN A 187 5.265 6.120 38.359 1.00 84.01 C +ATOM 1518 ND2 ASN A 187 3.996 6.489 38.488 1.00 83.97 N +ATOM 1519 OD1 ASN A 187 6.205 6.853 38.674 1.00 83.21 O +ATOM 1520 N SER A 188 7.789 2.745 35.797 1.00 90.21 N +ATOM 1521 CA SER A 188 8.055 1.375 35.371 1.00 90.79 C +ATOM 1522 C SER A 188 9.515 1.195 34.969 1.00 90.55 C +ATOM 1523 CB SER A 188 7.145 0.989 34.204 1.00 89.78 C +ATOM 1524 O SER A 188 10.153 2.136 34.491 1.00 89.65 O +ATOM 1525 OG SER A 188 5.785 1.216 34.531 1.00 86.78 O +ATOM 1526 N LYS A 189 10.107 0.075 35.111 1.00 91.09 N +ATOM 1527 CA LYS A 189 11.461 -0.259 34.678 1.00 91.33 C +ATOM 1528 C LYS A 189 11.530 -0.419 33.162 1.00 91.22 C +ATOM 1529 CB LYS A 189 11.943 -1.539 35.363 1.00 90.41 C +ATOM 1530 O LYS A 189 12.465 0.068 32.523 1.00 90.42 O +ATOM 1531 CG LYS A 189 12.085 -1.417 36.873 1.00 87.81 C +ATOM 1532 CD LYS A 189 12.448 -2.752 37.510 1.00 86.20 C +ATOM 1533 CE LYS A 189 12.409 -2.677 39.030 1.00 85.28 C +ATOM 1534 NZ LYS A 189 12.213 -4.023 39.647 1.00 83.25 N +ATOM 1535 N TYR A 190 10.535 -0.998 32.591 1.00 92.80 N +ATOM 1536 CA TYR A 190 10.423 -1.288 31.166 1.00 93.47 C +ATOM 1537 C TYR A 190 9.150 -0.685 30.585 1.00 93.40 C +ATOM 1538 CB TYR A 190 10.443 -2.800 30.922 1.00 93.08 C +ATOM 1539 O TYR A 190 8.182 -0.444 31.311 1.00 92.92 O +ATOM 1540 CG TYR A 190 11.699 -3.477 31.413 1.00 92.48 C +ATOM 1541 CD1 TYR A 190 12.795 -3.652 30.571 1.00 90.88 C +ATOM 1542 CD2 TYR A 190 11.793 -3.945 32.719 1.00 90.84 C +ATOM 1543 CE1 TYR A 190 13.954 -4.277 31.018 1.00 90.78 C +ATOM 1544 CE2 TYR A 190 12.947 -4.572 33.178 1.00 90.80 C +ATOM 1545 OH TYR A 190 15.165 -5.353 32.770 1.00 88.04 O +ATOM 1546 CZ TYR A 190 14.021 -4.733 32.321 1.00 90.51 C +ATOM 1547 N GLY A 191 9.156 -0.458 29.226 1.00 91.84 N +ATOM 1548 CA GLY A 191 7.976 -0.108 28.452 1.00 92.04 C +ATOM 1549 C GLY A 191 7.697 -1.077 27.318 1.00 92.42 C +ATOM 1550 O GLY A 191 8.618 -1.507 26.622 1.00 91.85 O +ATOM 1551 N THR A 192 6.437 -1.401 27.124 1.00 94.39 N +ATOM 1552 CA THR A 192 6.013 -2.066 25.897 1.00 94.21 C +ATOM 1553 C THR A 192 4.927 -1.260 25.192 1.00 93.84 C +ATOM 1554 CB THR A 192 5.497 -3.489 26.182 1.00 93.36 C +ATOM 1555 O THR A 192 4.081 -0.645 25.844 1.00 92.84 O +ATOM 1556 CG2 THR A 192 4.164 -3.452 26.922 1.00 87.64 C +ATOM 1557 OG1 THR A 192 5.323 -4.186 24.942 1.00 89.12 O +ATOM 1558 N VAL A 193 4.993 -1.225 23.909 1.00 91.18 N +ATOM 1559 CA VAL A 193 3.977 -0.595 23.072 1.00 91.30 C +ATOM 1560 C VAL A 193 3.320 -1.644 22.179 1.00 92.16 C +ATOM 1561 CB VAL A 193 4.576 0.540 22.211 1.00 89.42 C +ATOM 1562 O VAL A 193 3.997 -2.317 21.399 1.00 91.73 O +ATOM 1563 CG1 VAL A 193 3.475 1.282 21.456 1.00 81.89 C +ATOM 1564 CG2 VAL A 193 5.376 1.506 23.083 1.00 82.10 C +ATOM 1565 N VAL A 194 1.993 -1.783 22.281 1.00 93.36 N +ATOM 1566 CA VAL A 194 1.186 -2.629 21.407 1.00 93.56 C +ATOM 1567 C VAL A 194 0.808 -1.856 20.146 1.00 92.86 C +ATOM 1568 CB VAL A 194 -0.086 -3.135 22.124 1.00 93.29 C +ATOM 1569 O VAL A 194 -0.109 -1.032 20.166 1.00 91.66 O +ATOM 1570 CG1 VAL A 194 -0.863 -4.097 21.228 1.00 93.34 C +ATOM 1571 CG2 VAL A 194 0.279 -3.807 23.446 1.00 93.20 C +ATOM 1572 N LEU A 195 1.571 -2.082 19.097 1.00 92.64 N +ATOM 1573 CA LEU A 195 1.294 -1.537 17.773 1.00 92.81 C +ATOM 1574 C LEU A 195 0.246 -2.375 17.048 1.00 92.61 C +ATOM 1575 CB LEU A 195 2.577 -1.471 16.940 1.00 91.81 C +ATOM 1576 O LEU A 195 0.525 -3.504 16.636 1.00 91.67 O +ATOM 1577 CG LEU A 195 3.719 -0.635 17.520 1.00 89.35 C +ATOM 1578 CD1 LEU A 195 4.970 -0.778 16.659 1.00 85.99 C +ATOM 1579 CD2 LEU A 195 3.307 0.828 17.634 1.00 85.86 C +ATOM 1580 N SER A 196 -1.000 -1.873 16.892 1.00 93.19 N +ATOM 1581 CA SER A 196 -2.144 -2.443 16.188 1.00 93.28 C +ATOM 1582 C SER A 196 -2.637 -1.508 15.088 1.00 92.73 C +ATOM 1583 CB SER A 196 -3.283 -2.738 17.165 1.00 92.70 C +ATOM 1584 O SER A 196 -2.215 -0.352 15.013 1.00 91.67 O +ATOM 1585 OG SER A 196 -3.927 -1.541 17.563 1.00 90.75 O +ATOM 1586 N THR A 197 -3.509 -1.976 14.245 1.00 93.14 N +ATOM 1587 CA THR A 197 -4.168 -1.146 13.243 1.00 93.07 C +ATOM 1588 C THR A 197 -4.862 0.044 13.899 1.00 92.08 C +ATOM 1589 CB THR A 197 -5.193 -1.958 12.431 1.00 91.55 C +ATOM 1590 O THR A 197 -4.833 1.156 13.369 1.00 90.61 O +ATOM 1591 CG2 THR A 197 -5.803 -1.116 11.315 1.00 82.58 C +ATOM 1592 OG1 THR A 197 -4.543 -3.097 11.854 1.00 85.90 O +ATOM 1593 N ASP A 198 -5.496 -0.111 15.073 1.00 90.63 N +ATOM 1594 CA ASP A 198 -6.225 0.931 15.789 1.00 90.43 C +ATOM 1595 C ASP A 198 -5.265 1.901 16.474 1.00 89.41 C +ATOM 1596 CB ASP A 198 -7.172 0.313 16.819 1.00 90.15 C +ATOM 1597 O ASP A 198 -5.530 3.103 16.540 1.00 88.19 O +ATOM 1598 CG ASP A 198 -8.289 -0.499 16.185 1.00 89.82 C +ATOM 1599 OD1 ASP A 198 -8.952 0.001 15.251 1.00 89.81 O +ATOM 1600 OD2 ASP A 198 -8.509 -1.647 16.626 1.00 88.29 O +ATOM 1601 N PHE A 199 -4.130 1.345 16.966 1.00 88.15 N +ATOM 1602 CA PHE A 199 -3.069 2.191 17.501 1.00 88.13 C +ATOM 1603 C PHE A 199 -2.533 3.131 16.427 1.00 86.59 C +ATOM 1604 CB PHE A 199 -1.931 1.336 18.067 1.00 87.41 C +ATOM 1605 O PHE A 199 -2.465 4.344 16.634 1.00 84.42 O +ATOM 1606 CG PHE A 199 -0.939 2.114 18.889 1.00 86.27 C +ATOM 1607 CD1 PHE A 199 0.090 2.820 18.278 1.00 83.40 C +ATOM 1608 CD2 PHE A 199 -1.036 2.138 20.274 1.00 83.60 C +ATOM 1609 CE1 PHE A 199 1.009 3.540 19.037 1.00 84.55 C +ATOM 1610 CE2 PHE A 199 -0.121 2.856 21.039 1.00 84.64 C +ATOM 1611 CZ PHE A 199 0.902 3.555 20.419 1.00 83.74 C +ATOM 1612 N ILE A 200 -2.226 2.710 15.175 1.00 90.10 N +ATOM 1613 CA ILE A 200 -1.646 3.432 14.048 1.00 89.67 C +ATOM 1614 C ILE A 200 -2.663 4.427 13.494 1.00 88.32 C +ATOM 1615 CB ILE A 200 -1.182 2.464 12.936 1.00 88.98 C +ATOM 1616 O ILE A 200 -2.312 5.562 13.161 1.00 86.06 O +ATOM 1617 CG1 ILE A 200 0.062 1.691 13.386 1.00 86.89 C +ATOM 1618 CG2 ILE A 200 -0.913 3.226 11.635 1.00 86.13 C +ATOM 1619 CD1 ILE A 200 0.558 0.670 12.371 1.00 84.77 C +ATOM 1620 N LYS A 201 -4.004 4.182 13.554 1.00 88.33 N +ATOM 1621 CA LYS A 201 -5.075 5.016 13.017 1.00 87.25 C +ATOM 1622 C LYS A 201 -5.305 6.246 13.890 1.00 85.04 C +ATOM 1623 CB LYS A 201 -6.371 4.213 12.892 1.00 86.45 C +ATOM 1624 O LYS A 201 -5.797 7.271 13.412 1.00 82.03 O +ATOM 1625 CG LYS A 201 -6.405 3.276 11.694 1.00 84.60 C +ATOM 1626 CD LYS A 201 -7.646 2.392 11.711 1.00 83.29 C +ATOM 1627 CE LYS A 201 -7.625 1.376 10.577 1.00 80.95 C +ATOM 1628 NZ LYS A 201 -8.612 0.277 10.799 1.00 80.27 N +ATOM 1629 N LYS A 202 -5.157 6.223 15.116 1.00 84.42 N +ATOM 1630 CA LYS A 202 -5.475 7.293 16.056 1.00 82.66 C +ATOM 1631 C LYS A 202 -4.448 8.419 15.976 1.00 80.61 C +ATOM 1632 CB LYS A 202 -5.546 6.750 17.484 1.00 81.48 C +ATOM 1633 O LYS A 202 -4.528 9.394 16.725 1.00 75.25 O +ATOM 1634 CG LYS A 202 -6.840 6.016 17.803 1.00 79.75 C +ATOM 1635 CD LYS A 202 -6.886 5.570 19.259 1.00 78.43 C +ATOM 1636 CE LYS A 202 -8.210 4.898 19.598 1.00 76.36 C +ATOM 1637 NZ LYS A 202 -8.217 4.361 20.991 1.00 72.45 N +ATOM 1638 N ASP A 203 -3.737 8.528 14.812 1.00 75.06 N +ATOM 1639 CA ASP A 203 -2.706 9.539 14.597 1.00 72.89 C +ATOM 1640 C ASP A 203 -2.037 9.929 15.913 1.00 71.98 C +ATOM 1641 CB ASP A 203 -3.301 10.776 13.922 1.00 68.45 C +ATOM 1642 O ASP A 203 -2.003 11.108 16.272 1.00 66.93 O +ATOM 1643 CG ASP A 203 -2.325 11.468 12.987 1.00 63.92 C +ATOM 1644 OD1 ASP A 203 -1.137 11.079 12.948 1.00 59.51 O +ATOM 1645 OD2 ASP A 203 -2.746 12.413 12.285 1.00 62.45 O +ATOM 1646 N TRP A 204 -1.950 9.002 16.873 1.00 72.62 N +ATOM 1647 CA TRP A 204 -0.979 9.276 17.927 1.00 73.04 C +ATOM 1648 C TRP A 204 0.271 9.938 17.357 1.00 70.48 C +ATOM 1649 CB TRP A 204 -0.600 7.986 18.659 1.00 66.94 C +ATOM 1650 O TRP A 204 0.979 9.343 16.542 1.00 63.70 O +ATOM 1651 CG TRP A 204 -1.756 7.302 19.326 1.00 61.09 C +ATOM 1652 CD1 TRP A 204 -2.609 6.392 18.767 1.00 55.83 C +ATOM 1653 CD2 TRP A 204 -2.188 7.479 20.679 1.00 57.17 C +ATOM 1654 CE2 TRP A 204 -3.310 6.643 20.872 1.00 51.61 C +ATOM 1655 CE3 TRP A 204 -1.734 8.264 21.747 1.00 63.80 C +ATOM 1656 NE1 TRP A 204 -3.545 5.991 19.691 1.00 65.43 N +ATOM 1657 CH2 TRP A 204 -3.520 7.347 23.121 1.00 62.27 C +ATOM 1658 CZ2 TRP A 204 -3.985 6.569 22.092 1.00 65.62 C +ATOM 1659 CZ3 TRP A 204 -2.408 8.189 22.961 1.00 62.07 C +ATOM 1660 N THR A 205 0.354 11.366 17.434 1.00 60.56 N +ATOM 1661 CA THR A 205 1.464 12.121 16.862 1.00 61.89 C +ATOM 1662 C THR A 205 2.776 11.359 17.022 1.00 61.70 C +ATOM 1663 CB THR A 205 1.591 13.510 17.514 1.00 51.99 C +ATOM 1664 O THR A 205 3.096 10.886 18.115 1.00 56.56 O +ATOM 1665 CG2 THR A 205 0.527 14.466 16.985 1.00 39.88 C +ATOM 1666 OG1 THR A 205 1.438 13.380 18.933 1.00 41.95 O +ATOM 1667 N ASN A 206 3.414 10.999 15.901 1.00 72.60 N +ATOM 1668 CA ASN A 206 4.802 10.551 15.867 1.00 72.13 C +ATOM 1669 C ASN A 206 5.591 11.080 17.061 1.00 73.33 C +ATOM 1670 CB ASN A 206 5.472 10.976 14.558 1.00 69.31 C +ATOM 1671 O ASN A 206 6.481 10.399 17.573 1.00 71.17 O +ATOM 1672 CG ASN A 206 4.970 10.189 13.363 1.00 65.51 C +ATOM 1673 ND2 ASN A 206 5.037 10.794 12.183 1.00 61.29 N +ATOM 1674 OD1 ASN A 206 4.525 9.046 13.500 1.00 64.36 O +ATOM 1675 N TYR A 207 5.052 12.120 17.699 1.00 73.53 N +ATOM 1676 CA TYR A 207 5.742 12.806 18.785 1.00 74.18 C +ATOM 1677 C TYR A 207 5.773 11.945 20.042 1.00 73.67 C +ATOM 1678 CB TYR A 207 5.069 14.148 19.088 1.00 69.97 C +ATOM 1679 O TYR A 207 6.736 11.992 20.811 1.00 70.36 O +ATOM 1680 CG TYR A 207 5.427 15.241 18.110 1.00 65.19 C +ATOM 1681 CD1 TYR A 207 6.663 15.880 18.171 1.00 60.93 C +ATOM 1682 CD2 TYR A 207 4.530 15.637 17.124 1.00 62.04 C +ATOM 1683 CE1 TYR A 207 6.997 16.889 17.273 1.00 58.07 C +ATOM 1684 CE2 TYR A 207 4.853 16.645 16.221 1.00 55.38 C +ATOM 1685 OH TYR A 207 6.411 18.262 15.412 1.00 49.89 O +ATOM 1686 CZ TYR A 207 6.087 17.263 16.303 1.00 59.28 C +ATOM 1687 N GLU A 208 4.772 11.192 20.337 1.00 76.25 N +ATOM 1688 CA GLU A 208 4.709 10.375 21.545 1.00 76.35 C +ATOM 1689 C GLU A 208 5.668 9.191 21.462 1.00 77.09 C +ATOM 1690 CB GLU A 208 3.281 9.878 21.784 1.00 73.62 C +ATOM 1691 O GLU A 208 6.411 8.920 22.408 1.00 74.76 O +ATOM 1692 CG GLU A 208 2.291 10.986 22.114 1.00 69.19 C +ATOM 1693 CD GLU A 208 0.901 10.470 22.447 1.00 67.43 C +ATOM 1694 OE1 GLU A 208 0.575 9.320 22.075 1.00 67.67 O +ATOM 1695 OE2 GLU A 208 0.130 11.221 23.085 1.00 64.53 O +ATOM 1696 N LEU A 209 5.777 8.646 20.373 1.00 82.18 N +ATOM 1697 CA LEU A 209 6.662 7.508 20.149 1.00 82.94 C +ATOM 1698 C LEU A 209 8.114 7.962 20.042 1.00 82.91 C +ATOM 1699 CB LEU A 209 6.255 6.755 18.880 1.00 79.98 C +ATOM 1700 O LEU A 209 9.003 7.358 20.646 1.00 80.81 O +ATOM 1701 CG LEU A 209 6.303 5.228 18.953 1.00 74.39 C +ATOM 1702 CD1 LEU A 209 4.895 4.649 18.868 1.00 68.65 C +ATOM 1703 CD2 LEU A 209 7.185 4.666 17.843 1.00 69.26 C +ATOM 1704 N ASP A 210 8.288 9.125 19.374 1.00 78.04 N +ATOM 1705 CA ASP A 210 9.615 9.732 19.345 1.00 78.25 C +ATOM 1706 C ASP A 210 10.110 10.040 20.756 1.00 78.57 C +ATOM 1707 CB ASP A 210 9.603 11.009 18.501 1.00 76.23 C +ATOM 1708 O ASP A 210 11.286 9.838 21.065 1.00 77.03 O +ATOM 1709 CG ASP A 210 9.471 10.735 17.013 1.00 72.83 C +ATOM 1710 OD1 ASP A 210 9.728 9.592 16.578 1.00 72.19 O +ATOM 1711 OD2 ASP A 210 9.109 11.672 16.269 1.00 71.67 O +ATOM 1712 N GLY A 211 9.206 10.444 21.610 1.00 78.27 N +ATOM 1713 CA GLY A 211 9.520 10.653 23.015 1.00 78.35 C +ATOM 1714 C GLY A 211 9.927 9.379 23.731 1.00 79.48 C +ATOM 1715 O GLY A 211 10.838 9.391 24.561 1.00 78.45 O +ATOM 1716 N LEU A 212 9.310 8.269 23.386 1.00 80.15 N +ATOM 1717 CA LEU A 212 9.658 6.949 23.901 1.00 81.13 C +ATOM 1718 C LEU A 212 11.016 6.500 23.371 1.00 81.70 C +ATOM 1719 CB LEU A 212 8.585 5.926 23.521 1.00 79.19 C +ATOM 1720 O LEU A 212 11.904 6.145 24.149 1.00 80.59 O +ATOM 1721 CG LEU A 212 7.225 6.085 24.203 1.00 76.25 C +ATOM 1722 CD1 LEU A 212 6.227 5.081 23.635 1.00 72.38 C +ATOM 1723 CD2 LEU A 212 7.361 5.916 25.713 1.00 72.93 C +ATOM 1724 N VAL A 213 11.208 6.616 22.066 1.00 81.63 N +ATOM 1725 CA VAL A 213 12.459 6.266 21.402 1.00 82.50 C +ATOM 1726 C VAL A 213 13.586 7.159 21.917 1.00 82.04 C +ATOM 1727 CB VAL A 213 12.341 6.391 19.866 1.00 80.46 C +ATOM 1728 O VAL A 213 14.675 6.674 22.235 1.00 80.66 O +ATOM 1729 CG1 VAL A 213 13.685 6.112 19.196 1.00 78.06 C +ATOM 1730 CG2 VAL A 213 11.268 5.442 19.335 1.00 78.03 C +ATOM 1731 N ALA A 214 13.364 8.428 22.132 1.00 80.23 N +ATOM 1732 CA ALA A 214 14.365 9.368 22.631 1.00 80.75 C +ATOM 1733 C ALA A 214 14.781 9.019 24.057 1.00 80.63 C +ATOM 1734 CB ALA A 214 13.830 10.797 22.570 1.00 78.41 C +ATOM 1735 O ALA A 214 15.946 9.180 24.427 1.00 79.24 O +ATOM 1736 N ARG A 215 14.048 8.503 24.924 1.00 80.37 N +ATOM 1737 CA ARG A 215 14.348 8.093 26.292 1.00 80.87 C +ATOM 1738 C ARG A 215 15.136 6.788 26.312 1.00 81.41 C +ATOM 1739 CB ARG A 215 13.059 7.939 27.102 1.00 79.13 C +ATOM 1740 O ARG A 215 16.040 6.614 27.132 1.00 80.63 O +ATOM 1741 CG ARG A 215 12.432 9.260 27.518 1.00 75.59 C +ATOM 1742 CD ARG A 215 11.156 9.050 28.321 1.00 74.90 C +ATOM 1743 NE ARG A 215 10.547 10.320 28.708 1.00 70.00 N +ATOM 1744 NH1 ARG A 215 8.871 9.366 29.980 1.00 65.69 N +ATOM 1745 NH2 ARG A 215 9.005 11.645 29.775 1.00 62.32 N +ATOM 1746 CZ ARG A 215 9.476 10.440 29.487 1.00 70.30 C +ATOM 1747 N GLU A 216 14.694 5.935 25.446 1.00 81.89 N +ATOM 1748 CA GLU A 216 15.522 4.746 25.267 1.00 82.78 C +ATOM 1749 C GLU A 216 16.944 5.119 24.858 1.00 81.30 C +ATOM 1750 CB GLU A 216 14.903 3.811 24.225 1.00 80.92 C +ATOM 1751 O GLU A 216 17.912 4.639 25.451 1.00 78.83 O +ATOM 1752 CG GLU A 216 15.624 2.478 24.089 1.00 79.37 C +ATOM 1753 CD GLU A 216 14.954 1.531 23.105 1.00 77.38 C +ATOM 1754 OE1 GLU A 216 14.090 1.983 22.321 1.00 81.36 O +ATOM 1755 OE2 GLU A 216 15.296 0.328 23.120 1.00 83.21 O +ATOM 1756 N MET A 217 17.092 6.001 23.911 1.00 74.53 N +ATOM 1757 CA MET A 217 18.388 6.460 23.417 1.00 78.64 C +ATOM 1758 C MET A 217 19.201 7.101 24.536 1.00 74.74 C +ATOM 1759 CB MET A 217 18.204 7.453 22.268 1.00 72.91 C +ATOM 1760 O MET A 217 20.432 7.048 24.524 1.00 72.36 O +ATOM 1761 CG MET A 217 17.688 6.819 20.986 1.00 67.00 C +ATOM 1762 SD MET A 217 17.570 8.022 19.605 1.00 76.57 S +ATOM 1763 CE MET A 217 19.327 8.213 19.195 1.00 64.43 C +ATOM 1764 N ASN A 218 18.528 7.575 25.554 1.00 75.74 N +ATOM 1765 CA ASN A 218 19.203 8.193 26.689 1.00 76.44 C +ATOM 1766 C ASN A 218 19.501 7.175 27.786 1.00 75.97 C +ATOM 1767 CB ASN A 218 18.367 9.347 27.248 1.00 73.11 C +ATOM 1768 O ASN A 218 19.924 7.544 28.883 1.00 74.18 O +ATOM 1769 CG ASN A 218 18.342 10.549 26.326 1.00 69.39 C +ATOM 1770 ND2 ASN A 218 17.206 11.235 26.277 1.00 67.83 N +ATOM 1771 OD1 ASN A 218 19.334 10.859 25.662 1.00 67.95 O +ATOM 1772 N GLY A 219 19.391 5.869 27.472 1.00 78.77 N +ATOM 1773 CA GLY A 219 19.772 4.737 28.303 1.00 78.97 C +ATOM 1774 C GLY A 219 18.878 4.560 29.516 1.00 78.61 C +ATOM 1775 O GLY A 219 19.206 3.798 30.428 1.00 73.58 O +ATOM 1776 N HIS A 220 17.692 5.112 29.461 1.00 77.86 N +ATOM 1777 CA HIS A 220 16.928 5.159 30.703 1.00 78.83 C +ATOM 1778 C HIS A 220 15.888 4.044 30.752 1.00 80.14 C +ATOM 1779 CB HIS A 220 16.248 6.519 30.861 1.00 73.61 C +ATOM 1780 O HIS A 220 15.465 3.632 31.834 1.00 76.58 O +ATOM 1781 CG HIS A 220 17.200 7.637 31.147 1.00 68.56 C +ATOM 1782 CD2 HIS A 220 17.391 8.823 30.524 1.00 66.82 C +ATOM 1783 ND1 HIS A 220 18.102 7.598 32.188 1.00 65.39 N +ATOM 1784 CE1 HIS A 220 18.808 8.717 32.193 1.00 63.72 C +ATOM 1785 NE2 HIS A 220 18.396 9.477 31.193 1.00 60.53 N +ATOM 1786 N LYS A 221 15.610 3.444 29.550 1.00 85.98 N +ATOM 1787 CA LYS A 221 14.535 2.457 29.569 1.00 87.35 C +ATOM 1788 C LYS A 221 14.488 1.670 28.262 1.00 87.61 C +ATOM 1789 CB LYS A 221 13.187 3.135 29.820 1.00 83.82 C +ATOM 1790 O LYS A 221 14.633 2.244 27.181 1.00 85.69 O +ATOM 1791 CG LYS A 221 13.049 3.741 31.209 1.00 78.05 C +ATOM 1792 CD LYS A 221 11.593 4.035 31.549 1.00 75.98 C +ATOM 1793 CE LYS A 221 11.442 4.540 32.977 1.00 73.67 C +ATOM 1794 NZ LYS A 221 10.016 4.531 33.420 1.00 68.26 N +ATOM 1795 N MET A 222 14.291 0.412 28.365 1.00 87.71 N +ATOM 1796 CA MET A 222 14.114 -0.451 27.201 1.00 89.77 C +ATOM 1797 C MET A 222 12.647 -0.515 26.789 1.00 90.70 C +ATOM 1798 CB MET A 222 14.637 -1.859 27.491 1.00 86.81 C +ATOM 1799 O MET A 222 11.780 -0.822 27.609 1.00 89.81 O +ATOM 1800 CG MET A 222 14.677 -2.762 26.268 1.00 81.47 C +ATOM 1801 SD MET A 222 15.487 -4.373 26.610 1.00 83.77 S +ATOM 1802 CE MET A 222 15.761 -4.959 24.915 1.00 76.10 C +ATOM 1803 N ILE A 223 12.334 -0.241 25.540 1.00 89.95 N +ATOM 1804 CA ILE A 223 11.020 -0.373 24.919 1.00 90.92 C +ATOM 1805 C ILE A 223 10.957 -1.670 24.116 1.00 91.72 C +ATOM 1806 CB ILE A 223 10.700 0.836 24.011 1.00 88.35 C +ATOM 1807 O ILE A 223 11.752 -1.877 23.196 1.00 90.81 O +ATOM 1808 CG1 ILE A 223 10.716 2.134 24.825 1.00 82.68 C +ATOM 1809 CG2 ILE A 223 9.351 0.644 23.313 1.00 82.80 C +ATOM 1810 CD1 ILE A 223 10.545 3.393 23.986 1.00 78.68 C +ATOM 1811 N LEU A 224 10.004 -2.448 24.423 1.00 93.11 N +ATOM 1812 CA LEU A 224 9.762 -3.750 23.810 1.00 94.01 C +ATOM 1813 C LEU A 224 8.503 -3.721 22.952 1.00 94.72 C +ATOM 1814 CB LEU A 224 9.637 -4.834 24.885 1.00 92.93 C +ATOM 1815 O LEU A 224 7.389 -3.825 23.471 1.00 94.40 O +ATOM 1816 CG LEU A 224 10.831 -4.995 25.827 1.00 90.52 C +ATOM 1817 CD1 LEU A 224 10.478 -5.939 26.972 1.00 87.57 C +ATOM 1818 CD2 LEU A 224 12.050 -5.503 25.065 1.00 87.85 C +ATOM 1819 N PRO A 225 8.653 -3.488 21.615 1.00 94.01 N +ATOM 1820 CA PRO A 225 7.448 -3.386 20.788 1.00 94.63 C +ATOM 1821 C PRO A 225 6.754 -4.732 20.588 1.00 95.44 C +ATOM 1822 CB PRO A 225 7.978 -2.842 19.459 1.00 93.16 C +ATOM 1823 O PRO A 225 7.421 -5.751 20.390 1.00 95.35 O +ATOM 1824 CG PRO A 225 9.402 -3.293 19.402 1.00 89.65 C +ATOM 1825 CD PRO A 225 9.934 -3.372 20.804 1.00 89.35 C +ATOM 1826 N ILE A 226 5.445 -4.735 20.544 1.00 96.31 N +ATOM 1827 CA ILE A 226 4.580 -5.847 20.165 1.00 96.51 C +ATOM 1828 C ILE A 226 3.774 -5.474 18.923 1.00 96.36 C +ATOM 1829 CB ILE A 226 3.634 -6.246 21.319 1.00 96.39 C +ATOM 1830 O ILE A 226 3.060 -4.468 18.918 1.00 95.85 O +ATOM 1831 CG1 ILE A 226 4.441 -6.592 22.576 1.00 96.40 C +ATOM 1832 CG2 ILE A 226 2.739 -7.418 20.903 1.00 96.43 C +ATOM 1833 CD1 ILE A 226 3.585 -6.867 23.805 1.00 95.52 C +ATOM 1834 N TRP A 227 3.837 -6.215 17.910 1.00 96.07 N +ATOM 1835 CA TRP A 227 3.019 -6.095 16.708 1.00 96.67 C +ATOM 1836 C TRP A 227 1.755 -6.941 16.823 1.00 96.39 C +ATOM 1837 CB TRP A 227 3.817 -6.514 15.470 1.00 95.27 C +ATOM 1838 O TRP A 227 1.819 -8.172 16.786 1.00 95.26 O +ATOM 1839 CG TRP A 227 5.060 -5.706 15.245 1.00 86.32 C +ATOM 1840 CD1 TRP A 227 5.417 -4.549 15.881 1.00 76.81 C +ATOM 1841 CD2 TRP A 227 6.109 -5.993 14.315 1.00 78.42 C +ATOM 1842 CE2 TRP A 227 7.071 -4.967 14.441 1.00 77.96 C +ATOM 1843 CE3 TRP A 227 6.328 -7.019 13.387 1.00 72.14 C +ATOM 1844 NE1 TRP A 227 6.625 -4.099 15.402 1.00 80.27 N +ATOM 1845 CH2 TRP A 227 8.428 -5.955 12.772 1.00 79.34 C +ATOM 1846 CZ2 TRP A 227 8.237 -4.938 13.672 1.00 80.29 C +ATOM 1847 CZ3 TRP A 227 7.489 -6.989 12.623 1.00 78.69 C +ATOM 1848 N HIS A 228 0.610 -6.278 16.988 1.00 97.11 N +ATOM 1849 CA HIS A 228 -0.688 -6.921 17.154 1.00 97.08 C +ATOM 1850 C HIS A 228 -1.541 -6.774 15.898 1.00 96.70 C +ATOM 1851 CB HIS A 228 -1.425 -6.337 18.360 1.00 96.69 C +ATOM 1852 O HIS A 228 -1.968 -5.668 15.559 1.00 95.56 O +ATOM 1853 CG HIS A 228 -2.762 -6.961 18.607 1.00 94.89 C +ATOM 1854 CD2 HIS A 228 -4.005 -6.426 18.613 1.00 90.67 C +ATOM 1855 ND1 HIS A 228 -2.916 -8.300 18.893 1.00 89.68 N +ATOM 1856 CE1 HIS A 228 -4.201 -8.563 19.064 1.00 90.96 C +ATOM 1857 NE2 HIS A 228 -4.883 -7.443 18.899 1.00 91.98 N +ATOM 1858 N LYS A 229 -1.682 -7.792 15.160 1.00 97.25 N +ATOM 1859 CA LYS A 229 -2.510 -7.924 13.964 1.00 97.00 C +ATOM 1860 C LYS A 229 -2.082 -6.931 12.887 1.00 96.32 C +ATOM 1861 CB LYS A 229 -3.986 -7.720 14.308 1.00 96.38 C +ATOM 1862 O LYS A 229 -2.914 -6.445 12.118 1.00 94.48 O +ATOM 1863 CG LYS A 229 -4.539 -8.741 15.290 1.00 95.16 C +ATOM 1864 CD LYS A 229 -5.963 -8.399 15.710 1.00 93.58 C +ATOM 1865 CE LYS A 229 -6.470 -9.343 16.792 1.00 91.51 C +ATOM 1866 NZ LYS A 229 -7.650 -8.776 17.513 1.00 90.30 N +ATOM 1867 N ILE A 230 -0.711 -6.683 12.782 1.00 96.31 N +ATOM 1868 CA ILE A 230 -0.142 -5.819 11.752 1.00 95.98 C +ATOM 1869 C ILE A 230 1.133 -6.450 11.197 1.00 95.34 C +ATOM 1870 CB ILE A 230 0.154 -4.405 12.301 1.00 95.19 C +ATOM 1871 O ILE A 230 1.695 -7.365 11.802 1.00 93.79 O +ATOM 1872 CG1 ILE A 230 1.158 -4.481 13.457 1.00 91.92 C +ATOM 1873 CG2 ILE A 230 -1.140 -3.716 12.743 1.00 92.00 C +ATOM 1874 CD1 ILE A 230 1.598 -3.122 13.984 1.00 88.07 C +ATOM 1875 N THR A 231 1.645 -5.973 10.063 1.00 95.09 N +ATOM 1876 CA THR A 231 2.859 -6.426 9.394 1.00 95.16 C +ATOM 1877 C THR A 231 4.006 -5.448 9.632 1.00 95.30 C +ATOM 1878 CB THR A 231 2.632 -6.597 7.880 1.00 94.33 C +ATOM 1879 O THR A 231 3.776 -4.289 9.984 1.00 95.02 O +ATOM 1880 CG2 THR A 231 1.383 -7.427 7.602 1.00 93.08 C +ATOM 1881 OG1 THR A 231 2.479 -5.306 7.278 1.00 93.50 O +ATOM 1882 N LYS A 232 5.236 -5.864 9.338 1.00 93.27 N +ATOM 1883 CA LYS A 232 6.402 -4.987 9.406 1.00 93.97 C +ATOM 1884 C LYS A 232 6.244 -3.789 8.473 1.00 93.15 C +ATOM 1885 CB LYS A 232 7.675 -5.758 9.056 1.00 93.16 C +ATOM 1886 O LYS A 232 6.740 -2.699 8.765 1.00 92.64 O +ATOM 1887 CG LYS A 232 8.954 -4.950 9.223 1.00 92.84 C +ATOM 1888 CD LYS A 232 10.192 -5.826 9.078 1.00 92.55 C +ATOM 1889 CE LYS A 232 11.469 -5.037 9.331 1.00 91.95 C +ATOM 1890 NZ LYS A 232 12.661 -5.931 9.436 1.00 90.95 N +ATOM 1891 N ASN A 233 5.568 -3.924 7.354 1.00 93.33 N +ATOM 1892 CA ASN A 233 5.345 -2.833 6.412 1.00 93.67 C +ATOM 1893 C ASN A 233 4.429 -1.763 6.999 1.00 93.52 C +ATOM 1894 CB ASN A 233 4.766 -3.366 5.100 1.00 92.38 C +ATOM 1895 O ASN A 233 4.730 -0.571 6.923 1.00 93.04 O +ATOM 1896 CG ASN A 233 5.772 -4.173 4.303 1.00 89.26 C +ATOM 1897 ND2 ASN A 233 5.282 -4.951 3.344 1.00 90.83 N +ATOM 1898 OD1 ASN A 233 6.979 -4.100 4.547 1.00 89.29 O +ATOM 1899 N ASP A 234 3.372 -2.153 7.720 1.00 92.46 N +ATOM 1900 CA ASP A 234 2.486 -1.214 8.402 1.00 92.94 C +ATOM 1901 C ASP A 234 3.253 -0.375 9.421 1.00 92.09 C +ATOM 1902 CB ASP A 234 1.341 -1.961 9.090 1.00 92.84 C +ATOM 1903 O ASP A 234 3.016 0.828 9.548 1.00 91.29 O +ATOM 1904 CG ASP A 234 0.571 -2.866 8.146 1.00 92.47 C +ATOM 1905 OD1 ASP A 234 0.075 -2.382 7.105 1.00 92.02 O +ATOM 1906 OD2 ASP A 234 0.455 -4.074 8.446 1.00 92.05 O +ATOM 1907 N VAL A 235 4.236 -1.030 10.123 1.00 92.14 N +ATOM 1908 CA VAL A 235 5.058 -0.353 11.121 1.00 92.14 C +ATOM 1909 C VAL A 235 6.090 0.531 10.427 1.00 90.99 C +ATOM 1910 CB VAL A 235 5.762 -1.363 12.055 1.00 91.93 C +ATOM 1911 O VAL A 235 6.379 1.638 10.887 1.00 89.41 O +ATOM 1912 CG1 VAL A 235 6.587 -0.633 13.115 1.00 91.11 C +ATOM 1913 CG2 VAL A 235 4.738 -2.286 12.713 1.00 90.80 C +ATOM 1914 N LEU A 236 6.623 0.078 9.265 1.00 92.26 N +ATOM 1915 CA LEU A 236 7.592 0.853 8.497 1.00 91.62 C +ATOM 1916 C LEU A 236 6.964 2.140 7.973 1.00 89.91 C +ATOM 1917 CB LEU A 236 8.137 0.025 7.330 1.00 89.92 C +ATOM 1918 O LEU A 236 7.571 3.210 8.058 1.00 87.62 O +ATOM 1919 CG LEU A 236 9.283 0.649 6.533 1.00 83.82 C +ATOM 1920 CD1 LEU A 236 10.563 0.658 7.363 1.00 78.61 C +ATOM 1921 CD2 LEU A 236 9.495 -0.101 5.223 1.00 78.24 C +ATOM 1922 N ASP A 237 5.691 2.104 7.542 1.00 89.21 N +ATOM 1923 CA ASP A 237 4.941 3.251 7.040 1.00 88.63 C +ATOM 1924 C ASP A 237 4.576 4.207 8.174 1.00 87.15 C +ATOM 1925 CB ASP A 237 3.676 2.789 6.314 1.00 88.04 C +ATOM 1926 O ASP A 237 4.550 5.424 7.983 1.00 85.33 O +ATOM 1927 CG ASP A 237 3.967 2.133 4.976 1.00 85.91 C +ATOM 1928 OD1 ASP A 237 5.066 2.343 4.419 1.00 85.69 O +ATOM 1929 OD2 ASP A 237 3.087 1.402 4.471 1.00 85.26 O +ATOM 1930 N TYR A 238 4.474 3.706 9.407 1.00 88.95 N +ATOM 1931 CA TYR A 238 4.068 4.465 10.585 1.00 88.33 C +ATOM 1932 C TYR A 238 5.280 5.023 11.320 1.00 86.72 C +ATOM 1933 CB TYR A 238 3.242 3.588 11.531 1.00 88.11 C +ATOM 1934 O TYR A 238 5.352 6.224 11.592 1.00 84.21 O +ATOM 1935 CG TYR A 238 2.846 4.281 12.812 1.00 87.45 C +ATOM 1936 CD1 TYR A 238 1.867 5.272 12.816 1.00 85.16 C +ATOM 1937 CD2 TYR A 238 3.451 3.948 14.019 1.00 85.08 C +ATOM 1938 CE1 TYR A 238 1.501 5.916 13.994 1.00 84.67 C +ATOM 1939 CE2 TYR A 238 3.093 4.585 15.202 1.00 85.05 C +ATOM 1940 OH TYR A 238 1.759 6.199 16.349 1.00 80.21 O +ATOM 1941 CZ TYR A 238 2.118 5.565 15.180 1.00 83.31 C +ATOM 1942 N SER A 239 6.282 4.248 11.723 1.00 86.47 N +ATOM 1943 CA SER A 239 7.518 4.619 12.404 1.00 86.79 C +ATOM 1944 C SER A 239 8.667 3.701 12.002 1.00 87.27 C +ATOM 1945 CB SER A 239 7.328 4.578 13.921 1.00 85.78 C +ATOM 1946 O SER A 239 8.802 2.597 12.534 1.00 86.45 O +ATOM 1947 OG SER A 239 8.536 4.897 14.588 1.00 85.14 O +ATOM 1948 N PRO A 240 9.621 4.207 11.054 1.00 85.52 N +ATOM 1949 CA PRO A 240 10.782 3.414 10.640 1.00 86.27 C +ATOM 1950 C PRO A 240 11.672 3.014 11.814 1.00 86.19 C +ATOM 1951 CB PRO A 240 11.526 4.352 9.685 1.00 84.45 C +ATOM 1952 O PRO A 240 12.182 1.891 11.852 1.00 85.37 O +ATOM 1953 CG PRO A 240 10.461 5.218 9.094 1.00 83.01 C +ATOM 1954 CD PRO A 240 9.440 5.511 10.155 1.00 84.49 C +ATOM 1955 N ASN A 241 11.771 3.793 12.856 1.00 85.00 N +ATOM 1956 CA ASN A 241 12.594 3.535 14.033 1.00 85.71 C +ATOM 1957 C ASN A 241 12.068 2.349 14.837 1.00 86.34 C +ATOM 1958 CB ASN A 241 12.672 4.782 14.917 1.00 83.78 C +ATOM 1959 O ASN A 241 12.847 1.609 15.440 1.00 85.81 O +ATOM 1960 CG ASN A 241 13.410 5.926 14.249 1.00 78.82 C +ATOM 1961 ND2 ASN A 241 13.098 7.151 14.655 1.00 78.06 N +ATOM 1962 OD1 ASN A 241 14.254 5.710 13.375 1.00 78.00 O +ATOM 1963 N LEU A 242 10.802 2.080 14.877 1.00 88.18 N +ATOM 1964 CA LEU A 242 10.211 0.942 15.573 1.00 88.99 C +ATOM 1965 C LEU A 242 10.272 -0.314 14.710 1.00 89.59 C +ATOM 1966 CB LEU A 242 8.759 1.243 15.955 1.00 87.83 C +ATOM 1967 O LEU A 242 10.423 -1.422 15.230 1.00 89.26 O +ATOM 1968 CG LEU A 242 8.550 2.267 17.072 1.00 85.20 C +ATOM 1969 CD1 LEU A 242 7.062 2.511 17.296 1.00 82.24 C +ATOM 1970 CD2 LEU A 242 9.220 1.799 18.359 1.00 82.46 C +ATOM 1971 N ALA A 243 10.235 -0.145 13.366 1.00 90.99 N +ATOM 1972 CA ALA A 243 10.271 -1.268 12.432 1.00 91.35 C +ATOM 1973 C ALA A 243 11.643 -1.937 12.432 1.00 90.81 C +ATOM 1974 CB ALA A 243 9.910 -0.800 11.025 1.00 90.17 C +ATOM 1975 O ALA A 243 11.763 -3.120 12.105 1.00 89.57 O +ATOM 1976 N ASP A 244 12.735 -1.198 12.840 1.00 90.06 N +ATOM 1977 CA ASP A 244 14.105 -1.695 12.918 1.00 90.07 C +ATOM 1978 C ASP A 244 14.345 -2.443 14.228 1.00 89.54 C +ATOM 1979 CB ASP A 244 15.103 -0.544 12.779 1.00 87.81 C +ATOM 1980 O ASP A 244 15.328 -3.173 14.361 1.00 88.35 O +ATOM 1981 CG ASP A 244 15.282 -0.083 11.343 1.00 81.77 C +ATOM 1982 OD1 ASP A 244 14.970 -0.856 10.412 1.00 80.44 O +ATOM 1983 OD2 ASP A 244 15.741 1.062 11.142 1.00 81.38 O +ATOM 1984 N LYS A 245 13.407 -2.418 15.132 1.00 90.37 N +ATOM 1985 CA LYS A 245 13.514 -3.105 16.416 1.00 90.93 C +ATOM 1986 C LYS A 245 12.991 -4.536 16.319 1.00 91.62 C +ATOM 1987 CB LYS A 245 12.752 -2.341 17.500 1.00 89.50 C +ATOM 1988 O LYS A 245 12.067 -4.814 15.552 1.00 91.24 O +ATOM 1989 CG LYS A 245 13.346 -0.979 17.830 1.00 84.82 C +ATOM 1990 CD LYS A 245 12.752 -0.406 19.110 1.00 82.72 C +ATOM 1991 CE LYS A 245 13.459 0.875 19.531 1.00 81.20 C +ATOM 1992 NZ LYS A 245 13.176 1.222 20.956 1.00 79.00 N +ATOM 1993 N VAL A 246 13.624 -5.434 17.120 1.00 91.74 N +ATOM 1994 CA VAL A 246 13.058 -6.765 17.314 1.00 93.05 C +ATOM 1995 C VAL A 246 11.747 -6.661 18.091 1.00 93.81 C +ATOM 1996 CB VAL A 246 14.043 -7.699 18.053 1.00 91.46 C +ATOM 1997 O VAL A 246 11.740 -6.261 19.258 1.00 93.60 O +ATOM 1998 CG1 VAL A 246 13.446 -9.095 18.213 1.00 90.10 C +ATOM 1999 CG2 VAL A 246 15.374 -7.766 17.307 1.00 89.78 C +ATOM 2000 N ALA A 247 10.627 -6.992 17.437 1.00 94.90 N +ATOM 2001 CA ALA A 247 9.284 -6.933 18.008 1.00 95.81 C +ATOM 2002 C ALA A 247 8.713 -8.333 18.214 1.00 95.98 C +ATOM 2003 CB ALA A 247 8.360 -6.111 17.112 1.00 94.59 C +ATOM 2004 O ALA A 247 9.011 -9.251 17.446 1.00 95.48 O +ATOM 2005 N LEU A 248 7.926 -8.496 19.230 1.00 96.93 N +ATOM 2006 CA LEU A 248 7.069 -9.665 19.393 1.00 97.27 C +ATOM 2007 C LEU A 248 5.827 -9.556 18.514 1.00 97.01 C +ATOM 2008 CB LEU A 248 6.658 -9.828 20.859 1.00 97.00 C +ATOM 2009 O LEU A 248 5.184 -8.504 18.469 1.00 96.46 O +ATOM 2010 CG LEU A 248 7.796 -9.967 21.871 1.00 96.05 C +ATOM 2011 CD1 LEU A 248 7.252 -9.904 23.294 1.00 94.22 C +ATOM 2012 CD2 LEU A 248 8.560 -11.268 21.642 1.00 94.16 C +ATOM 2013 N ASN A 249 5.508 -10.565 17.795 1.00 97.19 N +ATOM 2014 CA ASN A 249 4.436 -10.533 16.806 1.00 97.52 C +ATOM 2015 C ASN A 249 3.324 -11.518 17.153 1.00 97.65 C +ATOM 2016 CB ASN A 249 4.986 -10.824 15.408 1.00 96.28 C +ATOM 2017 O ASN A 249 3.557 -12.726 17.221 1.00 97.42 O +ATOM 2018 CG ASN A 249 3.964 -10.579 14.316 1.00 90.47 C +ATOM 2019 ND2 ASN A 249 4.439 -10.232 13.125 1.00 90.25 N +ATOM 2020 OD1 ASN A 249 2.756 -10.700 14.540 1.00 89.19 O +ATOM 2021 N THR A 250 2.124 -11.074 17.174 1.00 98.00 N +ATOM 2022 CA THR A 250 0.978 -11.865 17.609 1.00 97.88 C +ATOM 2023 C THR A 250 0.517 -12.804 16.498 1.00 97.27 C +ATOM 2024 CB THR A 250 -0.192 -10.963 18.041 1.00 97.54 C +ATOM 2025 O THR A 250 -0.280 -13.714 16.738 1.00 95.72 O +ATOM 2026 CG2 THR A 250 0.203 -10.072 19.214 1.00 96.18 C +ATOM 2027 OG1 THR A 250 -0.582 -10.135 16.938 1.00 96.56 O +ATOM 2028 N SER A 251 1.012 -12.712 15.247 1.00 96.56 N +ATOM 2029 CA SER A 251 0.714 -13.632 14.153 1.00 96.20 C +ATOM 2030 C SER A 251 1.582 -14.883 14.232 1.00 95.91 C +ATOM 2031 CB SER A 251 0.918 -12.944 12.803 1.00 94.42 C +ATOM 2032 O SER A 251 1.322 -15.870 13.539 1.00 94.71 O +ATOM 2033 OG SER A 251 2.296 -12.726 12.552 1.00 81.05 O +ATOM 2034 N VAL A 252 2.662 -14.772 15.108 1.00 95.48 N +ATOM 2035 CA VAL A 252 3.626 -15.863 15.202 1.00 95.62 C +ATOM 2036 C VAL A 252 3.609 -16.448 16.613 1.00 95.67 C +ATOM 2037 CB VAL A 252 5.052 -15.393 14.837 1.00 94.17 C +ATOM 2038 O VAL A 252 3.775 -17.656 16.792 1.00 95.27 O +ATOM 2039 CG1 VAL A 252 6.037 -16.559 14.902 1.00 87.62 C +ATOM 2040 CG2 VAL A 252 5.064 -14.755 13.449 1.00 87.27 C +ATOM 2041 N ASN A 253 3.428 -15.634 17.612 1.00 96.19 N +ATOM 2042 CA ASN A 253 3.497 -16.006 19.021 1.00 96.68 C +ATOM 2043 C ASN A 253 2.137 -15.882 19.701 1.00 96.56 C +ATOM 2044 CB ASN A 253 4.536 -15.152 19.752 1.00 95.60 C +ATOM 2045 O ASN A 253 1.440 -14.881 19.525 1.00 96.10 O +ATOM 2046 CG ASN A 253 5.910 -15.236 19.118 1.00 91.00 C +ATOM 2047 ND2 ASN A 253 6.557 -16.387 19.254 1.00 90.18 N +ATOM 2048 OD1 ASN A 253 6.387 -14.272 18.512 1.00 89.08 O +ATOM 2049 N SER A 254 1.793 -16.917 20.503 1.00 97.07 N +ATOM 2050 CA SER A 254 0.637 -16.839 21.390 1.00 97.42 C +ATOM 2051 C SER A 254 0.845 -15.793 22.479 1.00 97.65 C +ATOM 2052 CB SER A 254 0.356 -18.201 22.026 1.00 97.00 C +ATOM 2053 O SER A 254 1.966 -15.324 22.691 1.00 97.63 O +ATOM 2054 OG SER A 254 1.309 -18.491 23.034 1.00 95.81 O +ATOM 2055 N ILE A 255 -0.209 -15.393 23.176 1.00 97.94 N +ATOM 2056 CA ILE A 255 -0.153 -14.445 24.284 1.00 98.23 C +ATOM 2057 C ILE A 255 0.746 -14.996 25.389 1.00 98.35 C +ATOM 2058 CB ILE A 255 -1.562 -14.142 24.841 1.00 97.63 C +ATOM 2059 O ILE A 255 1.545 -14.259 25.973 1.00 98.31 O +ATOM 2060 CG1 ILE A 255 -2.380 -13.345 23.818 1.00 92.26 C +ATOM 2061 CG2 ILE A 255 -1.466 -13.389 26.171 1.00 92.55 C +ATOM 2062 CD1 ILE A 255 -3.819 -13.086 24.243 1.00 87.21 C +ATOM 2063 N GLU A 256 0.667 -16.354 25.630 1.00 97.68 N +ATOM 2064 CA GLU A 256 1.488 -17.036 26.627 1.00 98.03 C +ATOM 2065 C GLU A 256 2.968 -16.974 26.259 1.00 98.06 C +ATOM 2066 CB GLU A 256 1.045 -18.493 26.782 1.00 97.07 C +ATOM 2067 O GLU A 256 3.806 -16.625 27.093 1.00 98.02 O +ATOM 2068 CG GLU A 256 -0.388 -18.652 27.270 1.00 91.77 C +ATOM 2069 CD GLU A 256 -1.424 -18.341 26.201 1.00 87.26 C +ATOM 2070 OE1 GLU A 256 -1.061 -18.280 25.005 1.00 90.55 O +ATOM 2071 OE2 GLU A 256 -2.607 -18.157 26.564 1.00 89.17 O +ATOM 2072 N GLU A 257 3.294 -17.235 25.015 1.00 97.54 N +ATOM 2073 CA GLU A 257 4.670 -17.166 24.532 1.00 97.83 C +ATOM 2074 C GLU A 257 5.218 -15.745 24.628 1.00 97.69 C +ATOM 2075 CB GLU A 257 4.759 -17.667 23.088 1.00 97.29 C +ATOM 2076 O GLU A 257 6.344 -15.538 25.087 1.00 97.63 O +ATOM 2077 CG GLU A 257 4.564 -19.170 22.946 1.00 95.49 C +ATOM 2078 CD GLU A 257 4.406 -19.620 21.502 1.00 94.19 C +ATOM 2079 OE1 GLU A 257 3.857 -18.850 20.683 1.00 94.35 O +ATOM 2080 OE2 GLU A 257 4.834 -20.754 21.189 1.00 94.24 O +ATOM 2081 N ILE A 258 4.453 -14.729 24.257 1.00 98.30 N +ATOM 2082 CA ILE A 258 4.809 -13.318 24.363 1.00 98.43 C +ATOM 2083 C ILE A 258 5.017 -12.947 25.829 1.00 98.47 C +ATOM 2084 CB ILE A 258 3.729 -12.414 23.729 1.00 98.25 C +ATOM 2085 O ILE A 258 6.008 -12.303 26.179 1.00 98.39 O +ATOM 2086 CG1 ILE A 258 3.731 -12.567 22.203 1.00 97.38 C +ATOM 2087 CG2 ILE A 258 3.944 -10.952 24.132 1.00 97.41 C +ATOM 2088 CD1 ILE A 258 2.561 -11.884 21.510 1.00 95.83 C +ATOM 2089 N ALA A 259 4.156 -13.390 26.715 1.00 98.37 N +ATOM 2090 CA ALA A 259 4.266 -13.117 28.146 1.00 98.45 C +ATOM 2091 C ALA A 259 5.518 -13.763 28.733 1.00 98.29 C +ATOM 2092 CB ALA A 259 3.022 -13.613 28.879 1.00 98.22 C +ATOM 2093 O ALA A 259 6.283 -13.112 29.449 1.00 98.06 O +ATOM 2094 N HIS A 260 5.837 -14.983 28.431 1.00 97.83 N +ATOM 2095 CA HIS A 260 7.047 -15.663 28.880 1.00 97.92 C +ATOM 2096 C HIS A 260 8.297 -14.959 28.364 1.00 97.57 C +ATOM 2097 CB HIS A 260 7.041 -17.124 28.424 1.00 97.34 C +ATOM 2098 O HIS A 260 9.216 -14.673 29.136 1.00 97.14 O +ATOM 2099 CG HIS A 260 6.338 -18.045 29.370 1.00 94.15 C +ATOM 2100 CD2 HIS A 260 5.176 -18.727 29.247 1.00 89.96 C +ATOM 2101 ND1 HIS A 260 6.834 -18.347 30.620 1.00 88.86 N +ATOM 2102 CE1 HIS A 260 6.004 -19.179 31.226 1.00 88.67 C +ATOM 2103 NE2 HIS A 260 4.989 -19.425 30.415 1.00 91.78 N +ATOM 2104 N GLN A 261 8.322 -14.549 27.070 1.00 97.42 N +ATOM 2105 CA GLN A 261 9.462 -13.846 26.489 1.00 97.53 C +ATOM 2106 C GLN A 261 9.665 -12.486 27.151 1.00 97.21 C +ATOM 2107 CB GLN A 261 9.274 -13.673 24.981 1.00 97.04 C +ATOM 2108 O GLN A 261 10.797 -12.093 27.439 1.00 96.76 O +ATOM 2109 CG GLN A 261 9.465 -14.958 24.186 1.00 94.75 C +ATOM 2110 CD GLN A 261 9.216 -14.772 22.701 1.00 92.58 C +ATOM 2111 NE2 GLN A 261 8.461 -15.690 22.107 1.00 92.80 N +ATOM 2112 OE1 GLN A 261 9.697 -13.810 22.093 1.00 92.53 O +ATOM 2113 N LEU A 262 8.607 -11.726 27.474 1.00 97.80 N +ATOM 2114 CA LEU A 262 8.676 -10.458 28.193 1.00 97.86 C +ATOM 2115 C LEU A 262 9.133 -10.673 29.631 1.00 97.68 C +ATOM 2116 CB LEU A 262 7.314 -9.759 28.177 1.00 97.76 C +ATOM 2117 O LEU A 262 10.023 -9.970 30.115 1.00 97.28 O +ATOM 2118 CG LEU A 262 6.900 -9.111 26.854 1.00 97.24 C +ATOM 2119 CD1 LEU A 262 5.466 -8.601 26.940 1.00 96.21 C +ATOM 2120 CD2 LEU A 262 7.855 -7.978 26.492 1.00 96.05 C +ATOM 2121 N ALA A 263 8.607 -11.680 30.298 1.00 97.76 N +ATOM 2122 CA ALA A 263 8.971 -11.998 31.676 1.00 97.76 C +ATOM 2123 C ALA A 263 10.439 -12.404 31.776 1.00 97.23 C +ATOM 2124 CB ALA A 263 8.076 -13.109 32.221 1.00 97.51 C +ATOM 2125 O ALA A 263 11.161 -11.932 32.658 1.00 96.55 O +ATOM 2126 N ASP A 264 10.942 -13.202 30.851 1.00 97.47 N +ATOM 2127 CA ASP A 264 12.344 -13.601 30.781 1.00 97.30 C +ATOM 2128 C ASP A 264 13.256 -12.383 30.646 1.00 96.80 C +ATOM 2129 CB ASP A 264 12.571 -14.560 29.610 1.00 96.13 C +ATOM 2130 O ASP A 264 14.256 -12.269 31.357 1.00 95.89 O +ATOM 2131 CG ASP A 264 12.100 -15.974 29.901 1.00 86.65 C +ATOM 2132 OD1 ASP A 264 11.924 -16.326 31.088 1.00 82.47 O +ATOM 2133 OD2 ASP A 264 11.905 -16.744 28.936 1.00 87.00 O +ATOM 2134 N VAL A 265 12.875 -11.429 29.808 1.00 96.18 N +ATOM 2135 CA VAL A 265 13.646 -10.206 29.610 1.00 95.97 C +ATOM 2136 C VAL A 265 13.592 -9.351 30.874 1.00 95.49 C +ATOM 2137 CB VAL A 265 13.128 -9.399 28.398 1.00 95.37 C +ATOM 2138 O VAL A 265 14.595 -8.753 31.270 1.00 94.54 O +ATOM 2139 CG1 VAL A 265 13.797 -8.026 28.338 1.00 92.18 C +ATOM 2140 CG2 VAL A 265 13.367 -10.171 27.102 1.00 92.10 C +ATOM 2141 N ILE A 266 12.531 -9.247 31.589 1.00 96.51 N +ATOM 2142 CA ILE A 266 12.262 -8.326 32.688 1.00 96.42 C +ATOM 2143 C ILE A 266 12.867 -8.872 33.979 1.00 95.60 C +ATOM 2144 CB ILE A 266 10.746 -8.087 32.866 1.00 96.36 C +ATOM 2145 O ILE A 266 13.435 -8.119 34.774 1.00 94.38 O +ATOM 2146 CG1 ILE A 266 10.196 -7.255 31.702 1.00 94.99 C +ATOM 2147 CG2 ILE A 266 10.461 -7.406 34.208 1.00 94.99 C +ATOM 2148 CD1 ILE A 266 8.680 -7.292 31.576 1.00 94.13 C +ATOM 2149 N LEU A 267 12.802 -10.149 34.220 1.00 96.27 N +ATOM 2150 CA LEU A 267 13.173 -10.761 35.491 1.00 96.12 C +ATOM 2151 C LEU A 267 14.639 -11.181 35.485 1.00 94.66 C +ATOM 2152 CB LEU A 267 12.285 -11.973 35.783 1.00 96.19 C +ATOM 2153 O LEU A 267 15.260 -11.300 36.544 1.00 92.86 O +ATOM 2154 CG LEU A 267 10.797 -11.688 35.992 1.00 96.28 C +ATOM 2155 CD1 LEU A 267 10.030 -12.991 36.189 1.00 95.65 C +ATOM 2156 CD2 LEU A 267 10.593 -10.757 37.182 1.00 95.36 C +ATOM 2157 N ASN A 268 15.231 -11.429 34.360 1.00 95.70 N +ATOM 2158 CA ASN A 268 16.584 -11.970 34.283 1.00 95.07 C +ATOM 2159 C ASN A 268 17.614 -10.872 34.034 1.00 91.43 C +ATOM 2160 CB ASN A 268 16.672 -13.040 33.193 1.00 94.22 C +ATOM 2161 O ASN A 268 18.801 -11.156 33.867 1.00 86.30 O +ATOM 2162 CG ASN A 268 15.949 -14.318 33.568 1.00 92.17 C +ATOM 2163 ND2 ASN A 268 15.131 -14.827 32.654 1.00 91.57 N +ATOM 2164 OD1 ASN A 268 16.123 -14.843 34.671 1.00 89.59 O +ATOM 2165 N ARG A 269 17.110 -9.665 33.949 1.00 89.81 N +ATOM 2166 CA ARG A 269 17.974 -8.497 33.810 1.00 87.87 C +ATOM 2167 C ARG A 269 17.925 -7.627 35.061 1.00 80.69 C +ATOM 2168 CB ARG A 269 17.574 -7.674 32.583 1.00 85.03 C +ATOM 2169 O ARG A 269 18.952 -7.106 35.502 1.00 73.03 O +ATOM 2170 CG ARG A 269 18.053 -8.260 31.265 1.00 80.91 C +ATOM 2171 CD ARG A 269 17.837 -7.295 30.107 1.00 76.33 C +ATOM 2172 NE ARG A 269 18.358 -7.832 28.853 1.00 75.16 N +ATOM 2173 NH1 ARG A 269 18.408 -5.797 27.762 1.00 67.28 N +ATOM 2174 NH2 ARG A 269 19.089 -7.700 26.680 1.00 62.49 N +ATOM 2175 CZ ARG A 269 18.617 -7.108 27.768 1.00 74.75 C +TER 2176 ARG A 269 +PARENT N/A +TER 2177 ALA A 1 +END diff --git a/conf/example/demo/pdb/A0A009IHW8.tensor b/conf/example/demo/pdb/A0A009IHW8.tensor new file mode 100644 index 0000000000000000000000000000000000000000..8dc63c9e533e4c62cb0d0b3e3bf639a0928c70da Binary files /dev/null and b/conf/example/demo/pdb/A0A009IHW8.tensor differ diff --git a/conf/example/demo/pdb/A0A011QK89.pdb b/conf/example/demo/pdb/A0A011QK89.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7bdddf66e29e6af74bb4e371dda990318f6156e --- /dev/null +++ b/conf/example/demo/pdb/A0A011QK89.pdb @@ -0,0 +1,2862 @@ +PARENT N/A +ATOM 1 N MET A 1 -0.644 14.285 33.616 1.00 89.38 N +ATOM 2 CA MET A 1 -0.034 13.837 32.368 1.00 92.54 C +ATOM 3 C MET A 1 0.398 12.377 32.467 1.00 91.95 C +ATOM 4 CB MET A 1 1.166 14.714 32.010 1.00 90.35 C +ATOM 5 O MET A 1 1.281 12.039 33.257 1.00 90.57 O +ATOM 6 CG MET A 1 1.732 14.444 30.625 1.00 86.48 C +ATOM 7 SD MET A 1 3.028 15.651 30.147 1.00 89.48 S +ATOM 8 CE MET A 1 4.359 15.155 31.276 1.00 83.48 C +ATOM 9 N GLU A 2 -0.206 11.560 31.754 1.00 92.83 N +ATOM 10 CA GLU A 2 0.086 10.130 31.744 1.00 94.08 C +ATOM 11 C GLU A 2 1.350 9.829 30.945 1.00 95.23 C +ATOM 12 CB GLU A 2 -1.097 9.344 31.172 1.00 91.68 C +ATOM 13 O GLU A 2 1.714 10.585 30.041 1.00 95.12 O +ATOM 14 CG GLU A 2 -2.343 9.386 32.045 1.00 80.95 C +ATOM 15 CD GLU A 2 -3.497 8.572 31.482 1.00 75.82 C +ATOM 16 OE1 GLU A 2 -3.351 7.991 30.382 1.00 79.86 O +ATOM 17 OE2 GLU A 2 -4.557 8.516 32.145 1.00 76.21 O +ATOM 18 N SER A 3 2.106 8.839 31.356 1.00 95.17 N +ATOM 19 CA SER A 3 3.246 8.337 30.595 1.00 95.58 C +ATOM 20 C SER A 3 2.902 7.037 29.876 1.00 95.56 C +ATOM 21 CB SER A 3 4.449 8.118 31.513 1.00 93.97 C +ATOM 22 O SER A 3 2.461 6.072 30.504 1.00 95.05 O +ATOM 23 OG SER A 3 5.621 7.870 30.756 1.00 82.39 O +ATOM 24 N ILE A 4 3.178 6.969 28.610 1.00 96.25 N +ATOM 25 CA ILE A 4 2.950 5.818 27.743 1.00 96.70 C +ATOM 26 C ILE A 4 4.267 5.388 27.101 1.00 97.06 C +ATOM 27 CB ILE A 4 1.900 6.131 26.653 1.00 95.79 C +ATOM 28 O ILE A 4 5.110 6.228 26.774 1.00 96.84 O +ATOM 29 CG1 ILE A 4 0.568 6.533 27.296 1.00 86.45 C +ATOM 30 CG2 ILE A 4 1.718 4.931 25.719 1.00 85.45 C +ATOM 31 CD1 ILE A 4 -0.471 7.037 26.303 1.00 82.55 C +ATOM 32 N GLU A 5 4.492 4.154 26.930 1.00 97.32 N +ATOM 33 CA GLU A 5 5.751 3.669 26.373 1.00 97.43 C +ATOM 34 C GLU A 5 5.822 3.917 24.870 1.00 97.72 C +ATOM 35 CB GLU A 5 5.930 2.177 26.669 1.00 96.68 C +ATOM 36 O GLU A 5 6.852 4.359 24.356 1.00 97.59 O +ATOM 37 CG GLU A 5 6.170 1.866 28.139 1.00 91.58 C +ATOM 38 CD GLU A 5 6.661 0.447 28.380 1.00 86.89 C +ATOM 39 OE1 GLU A 5 5.890 -0.510 28.141 1.00 87.46 O +ATOM 40 OE2 GLU A 5 7.825 0.292 28.811 1.00 85.21 O +ATOM 41 N ALA A 6 4.662 3.663 24.128 1.00 98.05 N +ATOM 42 CA ALA A 6 4.667 3.841 22.679 1.00 98.17 C +ATOM 43 C ALA A 6 3.330 4.391 22.189 1.00 98.29 C +ATOM 44 CB ALA A 6 4.983 2.521 21.981 1.00 97.95 C +ATOM 45 O ALA A 6 2.270 3.969 22.657 1.00 98.19 O +ATOM 46 N VAL A 7 3.366 5.269 21.219 1.00 98.28 N +ATOM 47 CA VAL A 7 2.200 5.792 20.514 1.00 98.33 C +ATOM 48 C VAL A 7 2.372 5.589 19.010 1.00 98.43 C +ATOM 49 CB VAL A 7 1.971 7.287 20.827 1.00 98.12 C +ATOM 50 O VAL A 7 3.402 5.957 18.441 1.00 98.34 O +ATOM 51 CG1 VAL A 7 0.858 7.858 19.950 1.00 96.49 C +ATOM 52 CG2 VAL A 7 1.641 7.478 22.306 1.00 96.59 C +ATOM 53 N VAL A 8 1.378 5.037 18.357 1.00 98.78 N +ATOM 54 CA VAL A 8 1.255 4.978 16.904 1.00 98.78 C +ATOM 55 C VAL A 8 0.155 5.930 16.440 1.00 98.79 C +ATOM 56 CB VAL A 8 0.957 3.542 16.418 1.00 98.76 C +ATOM 57 O VAL A 8 -0.981 5.857 16.915 1.00 98.72 O +ATOM 58 CG1 VAL A 8 0.892 3.492 14.892 1.00 98.60 C +ATOM 59 CG2 VAL A 8 2.013 2.572 16.943 1.00 98.61 C +ATOM 60 N ILE A 9 0.472 6.865 15.536 1.00 98.63 N +ATOM 61 CA ILE A 9 -0.483 7.822 14.988 1.00 98.62 C +ATOM 62 C ILE A 9 -0.978 7.336 13.628 1.00 98.61 C +ATOM 63 CB ILE A 9 0.139 9.231 14.860 1.00 98.53 C +ATOM 64 O ILE A 9 -0.221 7.319 12.654 1.00 98.44 O +ATOM 65 CG1 ILE A 9 0.740 9.672 16.199 1.00 97.50 C +ATOM 66 CG2 ILE A 9 -0.903 10.239 14.369 1.00 97.49 C +ATOM 67 CD1 ILE A 9 1.707 10.843 16.088 1.00 96.33 C +ATOM 68 N GLY A 10 -2.345 7.036 13.564 1.00 98.63 N +ATOM 69 CA GLY A 10 -3.029 6.467 12.414 1.00 98.63 C +ATOM 70 C GLY A 10 -3.247 4.970 12.530 1.00 98.70 C +ATOM 71 O GLY A 10 -2.290 4.209 12.686 1.00 98.62 O +ATOM 72 N ALA A 11 -4.490 4.509 12.341 1.00 98.80 N +ATOM 73 CA ALA A 11 -4.907 3.111 12.414 1.00 98.78 C +ATOM 74 C ALA A 11 -5.187 2.549 11.024 1.00 98.74 C +ATOM 75 CB ALA A 11 -6.142 2.969 13.301 1.00 98.70 C +ATOM 76 O ALA A 11 -6.172 1.835 10.823 1.00 98.53 O +ATOM 77 N GLY A 12 -4.388 2.837 10.006 1.00 98.78 N +ATOM 78 CA GLY A 12 -4.288 2.120 8.745 1.00 98.77 C +ATOM 79 C GLY A 12 -3.526 0.813 8.860 1.00 98.82 C +ATOM 80 O GLY A 12 -2.979 0.499 9.919 1.00 98.76 O +ATOM 81 N VAL A 13 -3.370 0.083 7.759 1.00 98.90 N +ATOM 82 CA VAL A 13 -2.789 -1.255 7.731 1.00 98.91 C +ATOM 83 C VAL A 13 -1.348 -1.203 8.234 1.00 98.92 C +ATOM 84 CB VAL A 13 -2.837 -1.866 6.313 1.00 98.86 C +ATOM 85 O VAL A 13 -0.908 -2.089 8.971 1.00 98.90 O +ATOM 86 CG1 VAL A 13 -1.939 -1.082 5.357 1.00 97.04 C +ATOM 87 CG2 VAL A 13 -2.427 -3.337 6.352 1.00 97.16 C +ATOM 88 N VAL A 14 -0.602 -0.173 7.968 1.00 98.89 N +ATOM 89 CA VAL A 14 0.785 -0.008 8.391 1.00 98.90 C +ATOM 90 C VAL A 14 0.832 0.410 9.859 1.00 98.91 C +ATOM 91 CB VAL A 14 1.525 1.029 7.518 1.00 98.86 C +ATOM 92 O VAL A 14 1.640 -0.109 10.633 1.00 98.88 O +ATOM 93 CG1 VAL A 14 2.951 1.242 8.024 1.00 98.21 C +ATOM 94 CG2 VAL A 14 1.534 0.586 6.056 1.00 98.26 C +ATOM 95 N GLY A 15 -0.078 1.336 10.289 1.00 98.92 N +ATOM 96 CA GLY A 15 -0.161 1.734 11.685 1.00 98.92 C +ATOM 97 C GLY A 15 -0.561 0.598 12.607 1.00 98.93 C +ATOM 98 O GLY A 15 0.075 0.375 13.639 1.00 98.90 O +ATOM 99 N LEU A 16 -1.519 -0.219 12.216 1.00 98.94 N +ATOM 100 CA LEU A 16 -1.939 -1.401 12.960 1.00 98.94 C +ATOM 101 C LEU A 16 -0.813 -2.428 13.030 1.00 98.95 C +ATOM 102 CB LEU A 16 -3.178 -2.028 12.315 1.00 98.93 C +ATOM 103 O LEU A 16 -0.543 -2.988 14.095 1.00 98.93 O +ATOM 104 CG LEU A 16 -4.464 -1.203 12.374 1.00 98.85 C +ATOM 105 CD1 LEU A 16 -5.575 -1.896 11.592 1.00 98.69 C +ATOM 106 CD2 LEU A 16 -4.886 -0.972 13.822 1.00 98.71 C +ATOM 107 N ALA A 17 -0.024 -2.657 11.956 1.00 98.91 N +ATOM 108 CA ALA A 17 1.145 -3.533 11.943 1.00 98.92 C +ATOM 109 C ALA A 17 2.235 -3.007 12.872 1.00 98.91 C +ATOM 110 CB ALA A 17 1.685 -3.678 10.522 1.00 98.89 C +ATOM 111 O ALA A 17 2.833 -3.771 13.633 1.00 98.88 O +ATOM 112 N CYS A 18 2.454 -1.680 12.940 1.00 98.85 N +ATOM 113 CA CYS A 18 3.415 -1.042 13.834 1.00 98.84 C +ATOM 114 C CYS A 18 2.997 -1.208 15.291 1.00 98.83 C +ATOM 115 CB CYS A 18 3.555 0.442 13.500 1.00 98.81 C +ATOM 116 O CYS A 18 3.821 -1.549 16.142 1.00 98.75 O +ATOM 117 SG CYS A 18 4.424 0.761 11.949 1.00 98.59 S +ATOM 118 N ALA A 19 1.730 -1.002 15.592 1.00 98.85 N +ATOM 119 CA ALA A 19 1.204 -1.142 16.947 1.00 98.85 C +ATOM 120 C ALA A 19 1.325 -2.583 17.436 1.00 98.84 C +ATOM 121 CB ALA A 19 -0.251 -0.684 17.003 1.00 98.80 C +ATOM 122 O ALA A 19 1.815 -2.831 18.541 1.00 98.77 O +ATOM 123 N ARG A 20 0.977 -3.533 16.587 1.00 98.76 N +ATOM 124 CA ARG A 20 1.162 -4.958 16.840 1.00 98.76 C +ATOM 125 C ARG A 20 2.621 -5.275 17.147 1.00 98.72 C +ATOM 126 CB ARG A 20 0.688 -5.783 15.641 1.00 98.64 C +ATOM 127 O ARG A 20 2.919 -5.970 18.122 1.00 98.59 O +ATOM 128 CG ARG A 20 0.947 -7.275 15.778 1.00 97.28 C +ATOM 129 CD ARG A 20 0.620 -8.024 14.494 1.00 94.45 C +ATOM 130 NE ARG A 20 1.025 -9.425 14.569 1.00 93.89 N +ATOM 131 NH1 ARG A 20 3.176 -9.059 13.810 1.00 87.80 N +ATOM 132 NH2 ARG A 20 2.491 -11.179 14.350 1.00 86.24 N +ATOM 133 CZ ARG A 20 2.230 -9.884 14.243 1.00 91.69 C +ATOM 134 N GLU A 21 3.567 -4.794 16.343 1.00 98.25 N +ATOM 135 CA GLU A 21 4.988 -5.086 16.502 1.00 98.18 C +ATOM 136 C GLU A 21 5.530 -4.494 17.800 1.00 98.06 C +ATOM 137 CB GLU A 21 5.784 -4.552 15.308 1.00 98.06 C +ATOM 138 O GLU A 21 6.234 -5.172 18.551 1.00 97.69 O +ATOM 139 CG GLU A 21 7.281 -4.805 15.405 1.00 97.26 C +ATOM 140 CD GLU A 21 7.634 -6.278 15.543 1.00 95.77 C +ATOM 141 OE1 GLU A 21 6.806 -7.138 15.165 1.00 94.70 O +ATOM 142 OE2 GLU A 21 8.746 -6.574 16.032 1.00 94.25 O +ATOM 143 N LEU A 22 5.094 -3.259 18.190 1.00 98.05 N +ATOM 144 CA LEU A 22 5.487 -2.606 19.434 1.00 97.99 C +ATOM 145 C LEU A 22 4.908 -3.338 20.640 1.00 97.97 C +ATOM 146 CB LEU A 22 5.028 -1.145 19.441 1.00 98.04 C +ATOM 147 O LEU A 22 5.636 -3.670 21.578 1.00 97.70 O +ATOM 148 CG LEU A 22 5.802 -0.187 18.534 1.00 97.76 C +ATOM 149 CD1 LEU A 22 5.048 1.131 18.389 1.00 97.14 C +ATOM 150 CD2 LEU A 22 7.205 0.052 19.081 1.00 97.03 C +ATOM 151 N ALA A 23 3.655 -3.703 20.630 1.00 98.41 N +ATOM 152 CA ALA A 23 2.985 -4.408 21.721 1.00 98.35 C +ATOM 153 C ALA A 23 3.592 -5.791 21.934 1.00 98.26 C +ATOM 154 CB ALA A 23 1.489 -4.524 21.439 1.00 98.27 C +ATOM 155 O ALA A 23 3.884 -6.180 23.068 1.00 97.96 O +ATOM 156 N ARG A 24 4.000 -6.530 20.889 1.00 98.00 N +ATOM 157 CA ARG A 24 4.649 -7.836 20.938 1.00 97.80 C +ATOM 158 C ARG A 24 6.045 -7.732 21.541 1.00 97.39 C +ATOM 159 CB ARG A 24 4.727 -8.450 19.538 1.00 97.44 C +ATOM 160 O ARG A 24 6.578 -8.715 22.060 1.00 96.55 O +ATOM 161 CG ARG A 24 3.409 -9.025 19.044 1.00 94.36 C +ATOM 162 CD ARG A 24 3.519 -9.538 17.615 1.00 89.87 C +ATOM 163 NE ARG A 24 4.425 -10.680 17.520 1.00 90.18 N +ATOM 164 NH1 ARG A 24 2.860 -12.108 16.599 1.00 84.64 N +ATOM 165 NH2 ARG A 24 4.994 -12.844 17.000 1.00 82.79 N +ATOM 166 CZ ARG A 24 4.091 -11.875 17.040 1.00 87.04 C +ATOM 167 N ARG A 25 6.644 -6.559 21.481 1.00 96.75 N +ATOM 168 CA ARG A 25 7.940 -6.282 22.092 1.00 96.62 C +ATOM 169 C ARG A 25 7.780 -5.873 23.552 1.00 96.32 C +ATOM 170 CB ARG A 25 8.676 -5.186 21.318 1.00 96.57 C +ATOM 171 O ARG A 25 8.763 -5.546 24.221 1.00 95.48 O +ATOM 172 CG ARG A 25 9.162 -5.622 19.945 1.00 96.15 C +ATOM 173 CD ARG A 25 9.823 -4.477 19.191 1.00 94.91 C +ATOM 174 NE ARG A 25 10.187 -4.866 17.831 1.00 94.05 N +ATOM 175 NH1 ARG A 25 12.030 -3.479 17.706 1.00 90.73 N +ATOM 176 NH2 ARG A 25 11.466 -4.806 15.924 1.00 90.56 N +ATOM 177 CZ ARG A 25 11.227 -4.383 17.157 1.00 93.63 C +ATOM 178 N GLY A 26 6.574 -5.902 24.096 1.00 97.15 N +ATOM 179 CA GLY A 26 6.250 -5.674 25.495 1.00 97.23 C +ATOM 180 C GLY A 26 6.048 -4.208 25.830 1.00 97.19 C +ATOM 181 O GLY A 26 6.030 -3.831 27.003 1.00 96.77 O +ATOM 182 N PHE A 27 5.922 -3.277 24.824 1.00 97.31 N +ATOM 183 CA PHE A 27 5.649 -1.868 25.079 1.00 97.42 C +ATOM 184 C PHE A 27 4.156 -1.631 25.268 1.00 97.50 C +ATOM 185 CB PHE A 27 6.177 -1.000 23.932 1.00 97.37 C +ATOM 186 O PHE A 27 3.350 -2.002 24.412 1.00 97.18 O +ATOM 187 CG PHE A 27 7.650 -1.166 23.674 1.00 96.82 C +ATOM 188 CD1 PHE A 27 8.574 -0.986 24.696 1.00 95.64 C +ATOM 189 CD2 PHE A 27 8.111 -1.502 22.408 1.00 95.66 C +ATOM 190 CE1 PHE A 27 9.938 -1.138 24.460 1.00 94.66 C +ATOM 191 CE2 PHE A 27 9.473 -1.656 22.164 1.00 94.54 C +ATOM 192 CZ PHE A 27 10.385 -1.473 23.191 1.00 94.67 C +ATOM 193 N GLU A 28 3.820 -0.925 26.355 1.00 97.50 N +ATOM 194 CA GLU A 28 2.491 -0.330 26.451 1.00 97.54 C +ATOM 195 C GLU A 28 2.224 0.616 25.284 1.00 97.76 C +ATOM 196 CB GLU A 28 2.330 0.415 27.779 1.00 97.04 C +ATOM 197 O GLU A 28 2.866 1.662 25.166 1.00 97.56 O +ATOM 198 CG GLU A 28 0.916 0.918 28.034 1.00 93.45 C +ATOM 199 CD GLU A 28 0.814 1.827 29.249 1.00 88.89 C +ATOM 200 OE1 GLU A 28 1.841 2.051 29.928 1.00 90.13 O +ATOM 201 OE2 GLU A 28 -0.304 2.319 29.523 1.00 88.25 O +ATOM 202 N THR A 29 1.259 0.256 24.382 1.00 98.27 N +ATOM 203 CA THR A 29 1.079 0.916 23.093 1.00 98.34 C +ATOM 204 C THR A 29 -0.331 1.487 22.971 1.00 98.34 C +ATOM 205 CB THR A 29 1.346 -0.054 21.927 1.00 98.24 C +ATOM 206 O THR A 29 -1.316 0.772 23.170 1.00 98.12 O +ATOM 207 CG2 THR A 29 1.185 0.646 20.582 1.00 97.63 C +ATOM 208 OG1 THR A 29 2.682 -0.562 22.033 1.00 97.51 O +ATOM 209 N VAL A 30 -0.449 2.751 22.554 1.00 98.21 N +ATOM 210 CA VAL A 30 -1.715 3.382 22.197 1.00 98.21 C +ATOM 211 C VAL A 30 -1.705 3.761 20.718 1.00 98.33 C +ATOM 212 CB VAL A 30 -1.992 4.630 23.065 1.00 97.86 C +ATOM 213 O VAL A 30 -0.740 4.354 20.229 1.00 98.20 O +ATOM 214 CG1 VAL A 30 -3.273 5.329 22.613 1.00 93.89 C +ATOM 215 CG2 VAL A 30 -2.082 4.244 24.540 1.00 93.97 C +ATOM 216 N ILE A 31 -2.781 3.381 19.970 1.00 98.55 N +ATOM 217 CA ILE A 31 -3.055 3.784 18.595 1.00 98.55 C +ATOM 218 C ILE A 31 -4.014 4.973 18.587 1.00 98.50 C +ATOM 219 CB ILE A 31 -3.642 2.617 17.771 1.00 98.48 C +ATOM 220 O ILE A 31 -5.142 4.872 19.074 1.00 98.27 O +ATOM 221 CG1 ILE A 31 -2.842 1.333 18.017 1.00 97.94 C +ATOM 222 CG2 ILE A 31 -3.669 2.968 16.280 1.00 97.95 C +ATOM 223 CD1 ILE A 31 -3.521 0.071 17.504 1.00 97.54 C +ATOM 224 N LEU A 32 -3.566 6.107 18.056 1.00 98.15 N +ATOM 225 CA LEU A 32 -4.419 7.273 17.853 1.00 98.17 C +ATOM 226 C LEU A 32 -4.999 7.284 16.443 1.00 98.17 C +ATOM 227 CB LEU A 32 -3.633 8.562 18.105 1.00 98.07 C +ATOM 228 O LEU A 32 -4.254 7.351 15.462 1.00 97.95 O +ATOM 229 CG LEU A 32 -2.955 8.687 19.470 1.00 97.51 C +ATOM 230 CD1 LEU A 32 -2.261 10.039 19.595 1.00 96.59 C +ATOM 231 CD2 LEU A 32 -3.971 8.496 20.592 1.00 96.59 C +ATOM 232 N GLU A 33 -6.347 7.235 16.294 1.00 98.21 N +ATOM 233 CA GLU A 33 -7.078 7.326 15.034 1.00 98.13 C +ATOM 234 C GLU A 33 -8.055 8.498 15.046 1.00 97.94 C +ATOM 235 CB GLU A 33 -7.826 6.021 14.750 1.00 98.12 C +ATOM 236 O GLU A 33 -8.846 8.644 15.980 1.00 97.48 O +ATOM 237 CG GLU A 33 -8.708 6.074 13.511 1.00 98.04 C +ATOM 238 CD GLU A 33 -7.994 6.631 12.290 1.00 97.65 C +ATOM 239 OE1 GLU A 33 -6.941 6.080 11.899 1.00 96.33 O +ATOM 240 OE2 GLU A 33 -8.493 7.628 11.720 1.00 96.24 O +ATOM 241 N ARG A 34 -8.052 9.306 14.080 1.00 96.69 N +ATOM 242 CA ARG A 34 -8.836 10.535 14.005 1.00 96.56 C +ATOM 243 C ARG A 34 -10.294 10.235 13.673 1.00 96.27 C +ATOM 244 CB ARG A 34 -8.246 11.486 12.962 1.00 96.25 C +ATOM 245 O ARG A 34 -11.189 11.003 14.032 1.00 95.55 O +ATOM 246 CG ARG A 34 -8.291 10.947 11.541 1.00 95.32 C +ATOM 247 CD ARG A 34 -7.757 11.958 10.536 1.00 93.74 C +ATOM 248 NE ARG A 34 -8.068 11.571 9.164 1.00 92.95 N +ATOM 249 NH1 ARG A 34 -7.403 13.576 8.228 1.00 88.27 N +ATOM 250 NH2 ARG A 34 -8.211 11.896 6.894 1.00 87.79 N +ATOM 251 CZ ARG A 34 -7.893 12.349 8.098 1.00 91.54 C +ATOM 252 N HIS A 35 -10.568 9.102 13.033 1.00 96.56 N +ATOM 253 CA HIS A 35 -11.901 8.695 12.601 1.00 96.58 C +ATOM 254 C HIS A 35 -12.580 7.827 13.655 1.00 96.70 C +ATOM 255 CB HIS A 35 -11.827 7.944 11.270 1.00 96.33 C +ATOM 256 O HIS A 35 -11.952 7.432 14.640 1.00 96.41 O +ATOM 257 CG HIS A 35 -11.355 8.790 10.130 1.00 95.32 C +ATOM 258 CD2 HIS A 35 -10.220 8.737 9.395 1.00 93.12 C +ATOM 259 ND1 HIS A 35 -12.091 9.842 9.630 1.00 93.02 N +ATOM 260 CE1 HIS A 35 -11.427 10.402 8.633 1.00 91.86 C +ATOM 261 NE2 HIS A 35 -10.288 9.750 8.470 1.00 92.50 N +ATOM 262 N GLY A 36 -13.811 7.532 13.455 1.00 97.27 N +ATOM 263 CA GLY A 36 -14.619 6.686 14.320 1.00 97.30 C +ATOM 264 C GLY A 36 -14.411 5.205 14.068 1.00 97.24 C +ATOM 265 O GLY A 36 -15.025 4.365 14.729 1.00 96.82 O +ATOM 266 N ALA A 37 -13.539 4.800 13.111 1.00 98.04 N +ATOM 267 CA ALA A 37 -13.139 3.431 12.794 1.00 98.19 C +ATOM 268 C ALA A 37 -11.727 3.391 12.218 1.00 98.33 C +ATOM 269 CB ALA A 37 -14.128 2.801 11.816 1.00 97.92 C +ATOM 270 O ALA A 37 -11.255 4.377 11.645 1.00 98.27 O +ATOM 271 N PHE A 38 -11.010 2.291 12.340 1.00 98.25 N +ATOM 272 CA PHE A 38 -9.690 2.086 11.755 1.00 98.39 C +ATOM 273 C PHE A 38 -9.798 1.795 10.263 1.00 98.20 C +ATOM 274 CB PHE A 38 -8.960 0.940 12.462 1.00 98.27 C +ATOM 275 O PHE A 38 -10.855 1.383 9.781 1.00 97.88 O +ATOM 276 CG PHE A 38 -9.617 -0.401 12.282 1.00 97.74 C +ATOM 277 CD1 PHE A 38 -10.597 -0.835 13.166 1.00 96.73 C +ATOM 278 CD2 PHE A 38 -9.253 -1.229 11.228 1.00 96.75 C +ATOM 279 CE1 PHE A 38 -11.207 -2.077 13.002 1.00 95.71 C +ATOM 280 CE2 PHE A 38 -9.858 -2.471 11.057 1.00 95.32 C +ATOM 281 CZ PHE A 38 -10.834 -2.894 11.945 1.00 95.10 C +ATOM 282 N GLY A 39 -8.741 2.072 9.505 1.00 98.18 N +ATOM 283 CA GLY A 39 -8.552 1.671 8.120 1.00 98.05 C +ATOM 284 C GLY A 39 -9.481 2.387 7.158 1.00 97.43 C +ATOM 285 O GLY A 39 -9.765 1.883 6.070 1.00 95.57 O +ATOM 286 N THR A 40 -10.035 3.575 7.425 1.00 96.83 N +ATOM 287 CA THR A 40 -11.136 4.189 6.690 1.00 96.28 C +ATOM 288 C THR A 40 -10.623 4.903 5.443 1.00 94.97 C +ATOM 289 CB THR A 40 -11.910 5.186 7.573 1.00 95.49 C +ATOM 290 O THR A 40 -11.374 5.115 4.489 1.00 92.47 O +ATOM 291 CG2 THR A 40 -12.630 4.469 8.710 1.00 90.29 C +ATOM 292 OG1 THR A 40 -10.992 6.136 8.128 1.00 91.86 O +ATOM 293 N GLU A 41 -9.347 5.201 5.261 1.00 96.22 N +ATOM 294 CA GLU A 41 -8.792 6.011 4.180 1.00 95.94 C +ATOM 295 C GLU A 41 -8.083 5.140 3.147 1.00 96.25 C +ATOM 296 CB GLU A 41 -7.825 7.060 4.735 1.00 95.11 C +ATOM 297 O GLU A 41 -8.726 4.369 2.431 1.00 95.08 O +ATOM 298 CG GLU A 41 -8.496 8.117 5.600 1.00 93.46 C +ATOM 299 CD GLU A 41 -7.565 9.256 5.986 1.00 88.73 C +ATOM 300 OE1 GLU A 41 -6.328 9.084 5.900 1.00 86.19 O +ATOM 301 OE2 GLU A 41 -8.077 10.328 6.380 1.00 86.76 O +ATOM 302 N THR A 42 -6.812 5.289 2.994 1.00 96.49 N +ATOM 303 CA THR A 42 -6.019 4.638 1.956 1.00 96.67 C +ATOM 304 C THR A 42 -6.078 3.120 2.102 1.00 96.88 C +ATOM 305 CB THR A 42 -4.551 5.104 2.001 1.00 96.09 C +ATOM 306 O THR A 42 -6.161 2.399 1.105 1.00 96.66 O +ATOM 307 CG2 THR A 42 -3.735 4.458 0.886 1.00 91.05 C +ATOM 308 OG1 THR A 42 -4.503 6.528 1.849 1.00 91.93 O +ATOM 309 N SER A 43 -6.153 2.588 3.291 1.00 97.95 N +ATOM 310 CA SER A 43 -6.074 1.160 3.580 1.00 97.96 C +ATOM 311 C SER A 43 -7.362 0.445 3.185 1.00 97.68 C +ATOM 312 CB SER A 43 -5.788 0.929 5.064 1.00 97.93 C +ATOM 313 O SER A 43 -7.325 -0.692 2.708 1.00 97.14 O +ATOM 314 OG SER A 43 -4.515 1.442 5.417 1.00 96.84 O +ATOM 315 N ALA A 44 -8.537 1.108 3.239 1.00 97.21 N +ATOM 316 CA ALA A 44 -9.828 0.552 2.841 1.00 96.84 C +ATOM 317 C ALA A 44 -10.015 0.629 1.328 1.00 96.10 C +ATOM 318 CB ALA A 44 -10.964 1.283 3.553 1.00 95.98 C +ATOM 319 O ALA A 44 -10.968 0.065 0.785 1.00 94.59 O +ATOM 320 N ARG A 45 -9.207 1.321 0.700 1.00 96.98 N +ATOM 321 CA ARG A 45 -9.399 1.692 -0.698 1.00 96.94 C +ATOM 322 C ARG A 45 -8.198 1.284 -1.543 1.00 96.34 C +ATOM 323 CB ARG A 45 -9.644 3.197 -0.827 1.00 96.46 C +ATOM 324 O ARG A 45 -7.776 2.027 -2.432 1.00 94.91 O +ATOM 325 CG ARG A 45 -10.909 3.677 -0.133 1.00 94.99 C +ATOM 326 CD ARG A 45 -11.083 5.184 -0.259 1.00 92.14 C +ATOM 327 NE ARG A 45 -12.288 5.646 0.425 1.00 91.69 N +ATOM 328 NH1 ARG A 45 -13.705 5.231 -1.352 1.00 85.77 N +ATOM 329 NH2 ARG A 45 -14.533 6.099 0.601 1.00 84.91 N +ATOM 330 CZ ARG A 45 -13.506 5.658 -0.110 1.00 89.59 C +ATOM 331 N ASN A 46 -7.642 0.119 -1.191 1.00 97.34 N +ATOM 332 CA ASN A 46 -6.519 -0.450 -1.929 1.00 97.24 C +ATOM 333 C ASN A 46 -6.968 -1.582 -2.849 1.00 97.20 C +ATOM 334 CB ASN A 46 -5.439 -0.945 -0.965 1.00 96.63 C +ATOM 335 O ASN A 46 -8.133 -1.984 -2.822 1.00 96.59 O +ATOM 336 CG ASN A 46 -5.897 -2.127 -0.133 1.00 92.84 C +ATOM 337 ND2 ASN A 46 -6.163 -1.885 1.145 1.00 90.00 N +ATOM 338 OD1 ASN A 46 -6.009 -3.249 -0.635 1.00 88.93 O +ATOM 339 N SER A 47 -6.135 -2.113 -3.680 1.00 97.45 N +ATOM 340 CA SER A 47 -6.448 -3.118 -4.691 1.00 97.53 C +ATOM 341 C SER A 47 -6.465 -4.520 -4.091 1.00 97.67 C +ATOM 342 CB SER A 47 -5.439 -3.058 -5.838 1.00 96.83 C +ATOM 343 O SER A 47 -6.613 -5.508 -4.813 1.00 97.31 O +ATOM 344 OG SER A 47 -4.120 -3.254 -5.358 1.00 86.04 O +ATOM 345 N GLU A 48 -6.114 -4.695 -2.832 1.00 98.23 N +ATOM 346 CA GLU A 48 -6.038 -5.949 -2.089 1.00 98.30 C +ATOM 347 C GLU A 48 -4.931 -6.847 -2.632 1.00 98.39 C +ATOM 348 CB GLU A 48 -7.381 -6.683 -2.135 1.00 97.93 C +ATOM 349 O GLU A 48 -4.838 -8.020 -2.263 1.00 98.21 O +ATOM 350 CG GLU A 48 -8.534 -5.896 -1.529 1.00 95.54 C +ATOM 351 CD GLU A 48 -9.868 -6.619 -1.620 1.00 90.66 C +ATOM 352 OE1 GLU A 48 -10.067 -7.407 -2.573 1.00 89.76 O +ATOM 353 OE2 GLU A 48 -10.721 -6.395 -0.733 1.00 88.73 O +ATOM 354 N VAL A 49 -4.066 -6.339 -3.536 1.00 98.47 N +ATOM 355 CA VAL A 49 -3.023 -7.111 -4.205 1.00 98.49 C +ATOM 356 C VAL A 49 -1.831 -7.289 -3.268 1.00 98.56 C +ATOM 357 CB VAL A 49 -2.572 -6.435 -5.519 1.00 98.39 C +ATOM 358 O VAL A 49 -1.274 -6.309 -2.767 1.00 98.49 O +ATOM 359 CG1 VAL A 49 -1.397 -7.190 -6.139 1.00 97.72 C +ATOM 360 CG2 VAL A 49 -3.737 -6.352 -6.503 1.00 97.80 C +ATOM 361 N ILE A 50 -1.382 -8.538 -3.089 1.00 98.68 N +ATOM 362 CA ILE A 50 -0.072 -8.911 -2.566 1.00 98.68 C +ATOM 363 C ILE A 50 0.952 -8.918 -3.698 1.00 98.65 C +ATOM 364 CB ILE A 50 -0.113 -10.290 -1.871 1.00 98.64 C +ATOM 365 O ILE A 50 0.931 -9.802 -4.558 1.00 98.51 O +ATOM 366 CG1 ILE A 50 -1.230 -10.327 -0.821 1.00 98.39 C +ATOM 367 CG2 ILE A 50 1.243 -10.617 -1.239 1.00 98.42 C +ATOM 368 CD1 ILE A 50 -1.418 -11.688 -0.165 1.00 97.91 C +ATOM 369 N HIS A 51 1.835 -7.896 -3.727 1.00 98.54 N +ATOM 370 CA HIS A 51 2.812 -7.677 -4.787 1.00 98.50 C +ATOM 371 C HIS A 51 4.040 -8.561 -4.596 1.00 98.50 C +ATOM 372 CB HIS A 51 3.227 -6.206 -4.838 1.00 98.42 C +ATOM 373 O HIS A 51 4.524 -8.725 -3.473 1.00 98.35 O +ATOM 374 CG HIS A 51 2.150 -5.296 -5.336 1.00 97.73 C +ATOM 375 CD2 HIS A 51 1.302 -4.475 -4.673 1.00 95.73 C +ATOM 376 ND1 HIS A 51 1.849 -5.163 -6.675 1.00 94.87 N +ATOM 377 CE1 HIS A 51 0.859 -4.296 -6.813 1.00 94.04 C +ATOM 378 NE2 HIS A 51 0.509 -3.865 -5.613 1.00 94.67 N +ATOM 379 N ALA A 52 4.664 -8.980 -5.733 1.00 98.38 N +ATOM 380 CA ALA A 52 5.844 -9.840 -5.702 1.00 98.32 C +ATOM 381 C ALA A 52 7.114 -9.021 -5.492 1.00 98.24 C +ATOM 382 CB ALA A 52 5.945 -10.651 -6.992 1.00 98.11 C +ATOM 383 O ALA A 52 8.115 -9.535 -4.986 1.00 97.89 O +ATOM 384 N GLY A 53 7.131 -7.708 -5.905 1.00 97.95 N +ATOM 385 CA GLY A 53 8.295 -6.849 -5.763 1.00 97.84 C +ATOM 386 C GLY A 53 9.021 -6.606 -7.072 1.00 97.59 C +ATOM 387 O GLY A 53 10.050 -5.929 -7.102 1.00 96.69 O +ATOM 388 N LEU A 54 8.519 -6.995 -8.236 1.00 97.20 N +ATOM 389 CA LEU A 54 9.254 -7.075 -9.494 1.00 96.81 C +ATOM 390 C LEU A 54 9.374 -5.700 -10.142 1.00 96.49 C +ATOM 391 CB LEU A 54 8.566 -8.047 -10.456 1.00 94.62 C +ATOM 392 O LEU A 54 10.291 -5.459 -10.931 1.00 94.93 O +ATOM 393 CG LEU A 54 7.182 -7.635 -10.961 1.00 80.29 C +ATOM 394 CD1 LEU A 54 6.836 -8.395 -12.237 1.00 70.23 C +ATOM 395 CD2 LEU A 54 6.127 -7.874 -9.887 1.00 70.11 C +ATOM 396 N TYR A 55 8.535 -4.580 -9.767 1.00 96.92 N +ATOM 397 CA TYR A 55 8.429 -3.303 -10.464 1.00 96.85 C +ATOM 398 C TYR A 55 9.352 -2.263 -9.841 1.00 96.18 C +ATOM 399 CB TYR A 55 6.983 -2.797 -10.443 1.00 96.30 C +ATOM 400 O TYR A 55 9.468 -1.145 -10.347 1.00 94.75 O +ATOM 401 CG TYR A 55 6.030 -3.649 -11.247 1.00 95.05 C +ATOM 402 CD1 TYR A 55 6.208 -3.824 -12.617 1.00 92.47 C +ATOM 403 CD2 TYR A 55 4.950 -4.278 -10.638 1.00 92.54 C +ATOM 404 CE1 TYR A 55 5.332 -4.606 -13.362 1.00 91.74 C +ATOM 405 CE2 TYR A 55 4.067 -5.063 -11.373 1.00 91.54 C +ATOM 406 OH TYR A 55 3.395 -5.996 -13.464 1.00 90.06 O +ATOM 407 CZ TYR A 55 4.266 -5.221 -12.732 1.00 91.01 C +ATOM 408 N TYR A 56 9.896 -2.551 -8.703 1.00 96.90 N +ATOM 409 CA TYR A 56 10.642 -1.559 -7.937 1.00 96.89 C +ATOM 410 C TYR A 56 12.126 -1.609 -8.279 1.00 96.70 C +ATOM 411 CB TYR A 56 10.445 -1.780 -6.434 1.00 96.70 C +ATOM 412 O TYR A 56 12.674 -2.683 -8.540 1.00 96.20 O +ATOM 413 CG TYR A 56 8.997 -1.890 -6.022 1.00 96.19 C +ATOM 414 CD1 TYR A 56 8.111 -0.835 -6.232 1.00 94.99 C +ATOM 415 CD2 TYR A 56 8.513 -3.046 -5.420 1.00 94.77 C +ATOM 416 CE1 TYR A 56 6.777 -0.931 -5.851 1.00 93.63 C +ATOM 417 CE2 TYR A 56 7.180 -3.153 -5.036 1.00 93.19 C +ATOM 418 OH TYR A 56 5.001 -2.192 -4.877 1.00 91.62 O +ATOM 419 CZ TYR A 56 6.321 -2.092 -5.256 1.00 93.05 C +ATOM 420 N PRO A 57 12.824 -0.412 -8.340 1.00 95.37 N +ATOM 421 CA PRO A 57 14.267 -0.435 -8.592 1.00 95.58 C +ATOM 422 C PRO A 57 15.008 -1.417 -7.688 1.00 95.92 C +ATOM 423 CB PRO A 57 14.698 1.005 -8.304 1.00 94.96 C +ATOM 424 O PRO A 57 14.697 -1.524 -6.499 1.00 95.77 O +ATOM 425 CG PRO A 57 13.473 1.826 -8.543 1.00 93.00 C +ATOM 426 CD PRO A 57 12.278 1.048 -8.074 1.00 92.43 C +ATOM 427 N THR A 58 16.013 -2.035 -8.340 1.00 93.99 N +ATOM 428 CA THR A 58 16.887 -2.928 -7.588 1.00 93.34 C +ATOM 429 C THR A 58 17.520 -2.197 -6.407 1.00 91.81 C +ATOM 430 CB THR A 58 17.994 -3.513 -8.485 1.00 92.37 C +ATOM 431 O THR A 58 17.854 -1.015 -6.509 1.00 89.39 O +ATOM 432 CG2 THR A 58 18.822 -4.548 -7.732 1.00 88.03 C +ATOM 433 OG1 THR A 58 17.394 -4.136 -9.628 1.00 90.92 O +ATOM 434 N ASP A 59 17.446 -2.690 -5.210 1.00 90.27 N +ATOM 435 CA ASP A 59 18.074 -2.254 -3.966 1.00 89.97 C +ATOM 436 C ASP A 59 17.242 -1.172 -3.281 1.00 90.12 C +ATOM 437 CB ASP A 59 19.490 -1.739 -4.232 1.00 88.14 C +ATOM 438 O ASP A 59 17.595 -0.705 -2.196 1.00 88.98 O +ATOM 439 CG ASP A 59 20.410 -2.803 -4.804 1.00 83.48 C +ATOM 440 OD1 ASP A 59 20.406 -3.948 -4.301 1.00 81.74 O +ATOM 441 OD2 ASP A 59 21.149 -2.494 -5.764 1.00 83.06 O +ATOM 442 N SER A 60 16.125 -0.776 -3.915 1.00 94.18 N +ATOM 443 CA SER A 60 15.228 0.163 -3.250 1.00 94.47 C +ATOM 444 C SER A 60 14.680 -0.420 -1.952 1.00 94.91 C +ATOM 445 CB SER A 60 14.071 0.547 -4.174 1.00 94.28 C +ATOM 446 O SER A 60 14.503 -1.634 -1.837 1.00 94.62 O +ATOM 447 OG SER A 60 13.225 -0.566 -4.409 1.00 93.33 O +ATOM 448 N LEU A 61 14.410 0.432 -0.956 1.00 93.47 N +ATOM 449 CA LEU A 61 13.757 0.039 0.287 1.00 94.04 C +ATOM 450 C LEU A 61 12.397 -0.594 0.011 1.00 94.62 C +ATOM 451 CB LEU A 61 13.592 1.248 1.212 1.00 93.48 C +ATOM 452 O LEU A 61 12.039 -1.600 0.627 1.00 94.52 O +ATOM 453 CG LEU A 61 12.945 0.978 2.572 1.00 91.78 C +ATOM 454 CD1 LEU A 61 13.778 -0.022 3.366 1.00 89.69 C +ATOM 455 CD2 LEU A 61 12.775 2.278 3.350 1.00 89.68 C +ATOM 456 N LYS A 62 11.615 -0.159 -0.999 1.00 96.24 N +ATOM 457 CA LYS A 62 10.345 -0.716 -1.456 1.00 96.31 C +ATOM 458 C LYS A 62 10.514 -2.160 -1.920 1.00 96.60 C +ATOM 459 CB LYS A 62 9.762 0.134 -2.586 1.00 95.30 C +ATOM 460 O LYS A 62 9.750 -3.040 -1.519 1.00 96.38 O +ATOM 461 CG LYS A 62 9.008 1.366 -2.109 1.00 88.71 C +ATOM 462 CD LYS A 62 8.434 2.157 -3.277 1.00 84.79 C +ATOM 463 CE LYS A 62 7.763 3.441 -2.807 1.00 80.72 C +ATOM 464 NZ LYS A 62 7.282 4.267 -3.955 1.00 77.91 N +ATOM 465 N ALA A 63 11.536 -2.416 -2.722 1.00 96.46 N +ATOM 466 CA ALA A 63 11.796 -3.772 -3.197 1.00 96.49 C +ATOM 467 C ALA A 63 12.074 -4.718 -2.032 1.00 96.65 C +ATOM 468 CB ALA A 63 12.970 -3.778 -4.174 1.00 95.95 C +ATOM 469 O ALA A 63 11.363 -5.708 -1.845 1.00 96.36 O +ATOM 470 N ARG A 64 13.032 -4.359 -1.163 1.00 94.26 N +ATOM 471 CA ARG A 64 13.456 -5.186 -0.039 1.00 94.45 C +ATOM 472 C ARG A 64 12.298 -5.447 0.918 1.00 94.74 C +ATOM 473 CB ARG A 64 14.615 -4.523 0.710 1.00 93.76 C +ATOM 474 O ARG A 64 12.035 -6.594 1.285 1.00 94.52 O +ATOM 475 CG ARG A 64 15.928 -4.532 -0.055 1.00 91.49 C +ATOM 476 CD ARG A 64 17.099 -4.129 0.830 1.00 90.25 C +ATOM 477 NE ARG A 64 16.935 -2.778 1.359 1.00 89.54 N +ATOM 478 NH1 ARG A 64 18.017 -1.736 -0.396 1.00 84.89 N +ATOM 479 NH2 ARG A 64 17.171 -0.494 1.334 1.00 83.34 N +ATOM 480 CZ ARG A 64 17.375 -1.673 0.765 1.00 86.93 C +ATOM 481 N LEU A 65 11.514 -4.415 1.298 1.00 95.80 N +ATOM 482 CA LEU A 65 10.413 -4.557 2.245 1.00 96.05 C +ATOM 483 C LEU A 65 9.220 -5.246 1.592 1.00 96.26 C +ATOM 484 CB LEU A 65 9.993 -3.188 2.787 1.00 95.93 C +ATOM 485 O LEU A 65 8.459 -5.948 2.262 1.00 96.09 O +ATOM 486 CG LEU A 65 11.017 -2.461 3.659 1.00 95.61 C +ATOM 487 CD1 LEU A 65 10.435 -1.150 4.179 1.00 94.59 C +ATOM 488 CD2 LEU A 65 11.464 -3.350 4.815 1.00 94.41 C +ATOM 489 N CYS A 66 9.020 -5.159 0.249 1.00 97.65 N +ATOM 490 CA CYS A 66 7.972 -5.876 -0.470 1.00 97.69 C +ATOM 491 C CYS A 66 8.256 -7.374 -0.496 1.00 97.66 C +ATOM 492 CB CYS A 66 7.844 -5.348 -1.898 1.00 97.59 C +ATOM 493 O CYS A 66 7.384 -8.181 -0.167 1.00 97.38 O +ATOM 494 SG CYS A 66 6.474 -6.076 -2.823 1.00 97.30 S +ATOM 495 N VAL A 67 9.429 -7.800 -0.822 1.00 97.35 N +ATOM 496 CA VAL A 67 9.808 -9.206 -0.922 1.00 97.29 C +ATOM 497 C VAL A 67 9.746 -9.858 0.457 1.00 97.28 C +ATOM 498 CB VAL A 67 11.220 -9.371 -1.527 1.00 96.98 C +ATOM 499 O VAL A 67 9.080 -10.880 0.638 1.00 96.96 O +ATOM 500 CG1 VAL A 67 11.699 -10.816 -1.393 1.00 94.62 C +ATOM 501 CG2 VAL A 67 11.227 -8.937 -2.992 1.00 94.56 C +ATOM 502 N ALA A 68 10.365 -9.194 1.503 1.00 95.79 N +ATOM 503 CA ALA A 68 10.301 -9.679 2.879 1.00 95.90 C +ATOM 504 C ALA A 68 8.861 -9.706 3.385 1.00 96.40 C +ATOM 505 CB ALA A 68 11.166 -8.812 3.790 1.00 95.25 C +ATOM 506 O ALA A 68 8.380 -10.740 3.853 1.00 96.28 O +ATOM 507 N GLY A 69 8.112 -8.615 3.196 1.00 98.13 N +ATOM 508 CA GLY A 69 6.741 -8.435 3.644 1.00 98.14 C +ATOM 509 C GLY A 69 5.769 -9.403 2.995 1.00 98.25 C +ATOM 510 O GLY A 69 4.827 -9.870 3.638 1.00 98.07 O +ATOM 511 N ARG A 70 5.958 -9.835 1.715 1.00 98.62 N +ATOM 512 CA ARG A 70 5.140 -10.833 1.033 1.00 98.62 C +ATOM 513 C ARG A 70 5.192 -12.173 1.760 1.00 98.57 C +ATOM 514 CB ARG A 70 5.599 -11.006 -0.416 1.00 98.53 C +ATOM 515 O ARG A 70 4.156 -12.801 1.989 1.00 98.42 O +ATOM 516 CG ARG A 70 4.781 -12.016 -1.205 1.00 98.10 C +ATOM 517 CD ARG A 70 5.375 -12.269 -2.584 1.00 97.44 C +ATOM 518 NE ARG A 70 6.682 -12.915 -2.497 1.00 96.29 N +ATOM 519 NH1 ARG A 70 7.438 -12.124 -4.531 1.00 92.51 N +ATOM 520 NH2 ARG A 70 8.785 -13.459 -3.243 1.00 92.46 N +ATOM 521 CZ ARG A 70 7.632 -12.831 -3.424 1.00 95.39 C +ATOM 522 N GLN A 71 6.354 -12.642 2.153 1.00 98.08 N +ATOM 523 CA GLN A 71 6.515 -13.905 2.867 1.00 98.04 C +ATOM 524 C GLN A 71 5.881 -13.837 4.254 1.00 98.15 C +ATOM 525 CB GLN A 71 7.995 -14.272 2.983 1.00 97.30 C +ATOM 526 O GLN A 71 5.096 -14.711 4.627 1.00 98.01 O +ATOM 527 CG GLN A 71 8.661 -14.573 1.647 1.00 88.37 C +ATOM 528 CD GLN A 71 10.150 -14.828 1.778 1.00 81.94 C +ATOM 529 NE2 GLN A 71 10.768 -15.302 0.701 1.00 76.53 N +ATOM 530 OE1 GLN A 71 10.742 -14.601 2.838 1.00 85.00 O +ATOM 531 N GLN A 72 6.127 -12.753 4.983 1.00 98.20 N +ATOM 532 CA GLN A 72 5.540 -12.502 6.296 1.00 98.33 C +ATOM 533 C GLN A 72 4.017 -12.446 6.216 1.00 98.46 C +ATOM 534 CB GLN A 72 6.083 -11.200 6.887 1.00 98.28 C +ATOM 535 O GLN A 72 3.325 -13.057 7.032 1.00 98.40 O +ATOM 536 CG GLN A 72 7.570 -11.246 7.212 1.00 97.85 C +ATOM 537 CD GLN A 72 8.122 -9.894 7.626 1.00 96.90 C +ATOM 538 NE2 GLN A 72 9.152 -9.906 8.465 1.00 96.26 N +ATOM 539 OE1 GLN A 72 7.627 -8.848 7.194 1.00 96.26 O +ATOM 540 N LEU A 73 3.489 -11.764 5.172 1.00 98.85 N +ATOM 541 CA LEU A 73 2.052 -11.574 5.010 1.00 98.86 C +ATOM 542 C LEU A 73 1.358 -12.898 4.712 1.00 98.85 C +ATOM 543 CB LEU A 73 1.767 -10.571 3.889 1.00 98.82 C +ATOM 544 O LEU A 73 0.340 -13.223 5.328 1.00 98.80 O +ATOM 545 CG LEU A 73 0.294 -10.274 3.603 1.00 98.54 C +ATOM 546 CD1 LEU A 73 -0.417 -9.839 4.880 1.00 98.01 C +ATOM 547 CD2 LEU A 73 0.163 -9.207 2.522 1.00 98.00 C +ATOM 548 N TYR A 74 1.884 -13.773 3.881 1.00 98.81 N +ATOM 549 CA TYR A 74 1.299 -15.084 3.625 1.00 98.82 C +ATOM 550 C TYR A 74 1.334 -15.952 4.877 1.00 98.79 C +ATOM 551 CB TYR A 74 2.037 -15.788 2.481 1.00 98.80 C +ATOM 552 O TYR A 74 0.358 -16.635 5.194 1.00 98.70 O +ATOM 553 CG TYR A 74 1.616 -15.320 1.109 1.00 98.67 C +ATOM 554 CD1 TYR A 74 0.274 -15.309 0.737 1.00 98.42 C +ATOM 555 CD2 TYR A 74 2.560 -14.890 0.182 1.00 98.38 C +ATOM 556 CE1 TYR A 74 -0.118 -14.881 -0.528 1.00 98.08 C +ATOM 557 CE2 TYR A 74 2.179 -14.460 -1.085 1.00 97.97 C +ATOM 558 OH TYR A 74 0.458 -14.034 -2.682 1.00 96.92 O +ATOM 559 CZ TYR A 74 0.840 -14.459 -1.430 1.00 97.74 C +ATOM 560 N ALA A 75 2.428 -15.930 5.650 1.00 98.63 N +ATOM 561 CA ALA A 75 2.537 -16.658 6.911 1.00 98.64 C +ATOM 562 C ALA A 75 1.537 -16.131 7.937 1.00 98.68 C +ATOM 563 CB ALA A 75 3.958 -16.562 7.461 1.00 98.51 C +ATOM 564 O ALA A 75 0.853 -16.911 8.604 1.00 98.64 O +ATOM 565 N PHE A 76 1.321 -14.813 7.984 1.00 98.80 N +ATOM 566 CA PHE A 76 0.368 -14.165 8.878 1.00 98.83 C +ATOM 567 C PHE A 76 -1.063 -14.525 8.497 1.00 98.84 C +ATOM 568 CB PHE A 76 0.551 -12.644 8.850 1.00 98.84 C +ATOM 569 O PHE A 76 -1.856 -14.928 9.351 1.00 98.80 O +ATOM 570 CG PHE A 76 -0.297 -11.912 9.854 1.00 98.80 C +ATOM 571 CD1 PHE A 76 0.130 -11.763 11.168 1.00 98.71 C +ATOM 572 CD2 PHE A 76 -1.522 -11.372 9.484 1.00 98.70 C +ATOM 573 CE1 PHE A 76 -0.653 -11.086 12.100 1.00 98.55 C +ATOM 574 CE2 PHE A 76 -2.310 -10.694 10.410 1.00 98.52 C +ATOM 575 CZ PHE A 76 -1.874 -10.553 11.717 1.00 98.38 C +ATOM 576 N CYS A 77 -1.414 -14.504 7.230 1.00 98.88 N +ATOM 577 CA CYS A 77 -2.735 -14.879 6.735 1.00 98.88 C +ATOM 578 C CYS A 77 -3.055 -16.328 7.080 1.00 98.86 C +ATOM 579 CB CYS A 77 -2.818 -14.674 5.223 1.00 98.82 C +ATOM 580 O CYS A 77 -4.156 -16.631 7.544 1.00 98.79 O +ATOM 581 SG CYS A 77 -2.809 -12.939 4.721 1.00 98.71 S +ATOM 582 N ALA A 78 -2.078 -17.226 6.979 1.00 98.79 N +ATOM 583 CA ALA A 78 -2.245 -18.636 7.325 1.00 98.78 C +ATOM 584 C ALA A 78 -2.455 -18.811 8.826 1.00 98.79 C +ATOM 585 CB ALA A 78 -1.036 -19.444 6.862 1.00 98.67 C +ATOM 586 O ALA A 78 -3.346 -19.549 9.253 1.00 98.75 O +ATOM 587 N THR A 79 -1.719 -18.079 9.660 1.00 98.61 N +ATOM 588 CA THR A 79 -1.780 -18.153 11.116 1.00 98.58 C +ATOM 589 C THR A 79 -3.125 -17.643 11.627 1.00 98.55 C +ATOM 590 CB THR A 79 -0.642 -17.343 11.764 1.00 98.45 C +ATOM 591 O THR A 79 -3.705 -18.223 12.548 1.00 98.41 O +ATOM 592 CG2 THR A 79 -0.731 -17.390 13.286 1.00 96.61 C +ATOM 593 OG1 THR A 79 0.618 -17.889 11.354 1.00 97.43 O +ATOM 594 N HIS A 80 -3.734 -16.655 10.986 1.00 98.77 N +ATOM 595 CA HIS A 80 -4.925 -15.964 11.467 1.00 98.77 C +ATOM 596 C HIS A 80 -6.144 -16.310 10.618 1.00 98.76 C +ATOM 597 CB HIS A 80 -4.701 -14.450 11.471 1.00 98.71 C +ATOM 598 O HIS A 80 -7.179 -15.647 10.711 1.00 98.62 O +ATOM 599 CG HIS A 80 -3.752 -13.987 12.529 1.00 98.24 C +ATOM 600 CD2 HIS A 80 -2.419 -13.752 12.488 1.00 97.02 C +ATOM 601 ND1 HIS A 80 -4.152 -13.714 13.820 1.00 96.03 N +ATOM 602 CE1 HIS A 80 -3.103 -13.329 14.527 1.00 95.97 C +ATOM 603 NE2 HIS A 80 -2.039 -13.344 13.742 1.00 95.99 N +ATOM 604 N ALA A 81 -6.053 -17.279 9.734 1.00 98.82 N +ATOM 605 CA ALA A 81 -7.094 -17.792 8.848 1.00 98.81 C +ATOM 606 C ALA A 81 -7.730 -16.666 8.038 1.00 98.80 C +ATOM 607 CB ALA A 81 -8.160 -18.533 9.652 1.00 98.70 C +ATOM 608 O ALA A 81 -8.936 -16.684 7.778 1.00 98.67 O +ATOM 609 N ILE A 82 -6.906 -15.681 7.675 1.00 98.86 N +ATOM 610 CA ILE A 82 -7.336 -14.575 6.827 1.00 98.87 C +ATOM 611 C ILE A 82 -7.490 -15.059 5.387 1.00 98.83 C +ATOM 612 CB ILE A 82 -6.342 -13.393 6.892 1.00 98.83 C +ATOM 613 O ILE A 82 -6.563 -15.640 4.818 1.00 98.75 O +ATOM 614 CG1 ILE A 82 -6.173 -12.916 8.339 1.00 98.55 C +ATOM 615 CG2 ILE A 82 -6.806 -12.247 5.988 1.00 98.52 C +ATOM 616 CD1 ILE A 82 -4.963 -12.019 8.557 1.00 98.18 C +ATOM 617 N SER A 83 -8.630 -14.796 4.756 1.00 98.82 N +ATOM 618 CA SER A 83 -8.877 -15.155 3.364 1.00 98.84 C +ATOM 619 C SER A 83 -7.867 -14.490 2.434 1.00 98.84 C +ATOM 620 CB SER A 83 -10.296 -14.764 2.951 1.00 98.76 C +ATOM 621 O SER A 83 -7.716 -13.267 2.446 1.00 98.79 O +ATOM 622 OG SER A 83 -11.256 -15.501 3.689 1.00 96.37 O +ATOM 623 N HIS A 84 -7.169 -15.314 1.634 1.00 98.81 N +ATOM 624 CA HIS A 84 -6.223 -14.877 0.613 1.00 98.81 C +ATOM 625 C HIS A 84 -6.110 -15.903 -0.509 1.00 98.71 C +ATOM 626 CB HIS A 84 -4.848 -14.621 1.232 1.00 98.76 C +ATOM 627 O HIS A 84 -6.441 -17.076 -0.319 1.00 98.52 O +ATOM 628 CG HIS A 84 -4.178 -15.860 1.737 1.00 98.43 C +ATOM 629 CD2 HIS A 84 -3.183 -16.611 1.209 1.00 97.71 C +ATOM 630 ND1 HIS A 84 -4.525 -16.460 2.928 1.00 97.02 N +ATOM 631 CE1 HIS A 84 -3.769 -17.530 3.111 1.00 96.88 C +ATOM 632 NE2 HIS A 84 -2.947 -17.644 2.082 1.00 97.05 N +ATOM 633 N GLN A 85 -5.595 -15.453 -1.678 1.00 98.73 N +ATOM 634 CA GLN A 85 -5.409 -16.328 -2.831 1.00 98.73 C +ATOM 635 C GLN A 85 -4.133 -15.973 -3.590 1.00 98.72 C +ATOM 636 CB GLN A 85 -6.616 -16.248 -3.766 1.00 98.60 C +ATOM 637 O GLN A 85 -3.938 -14.821 -3.982 1.00 98.61 O +ATOM 638 CG GLN A 85 -6.559 -17.231 -4.929 1.00 96.59 C +ATOM 639 CD GLN A 85 -7.793 -17.169 -5.810 1.00 92.22 C +ATOM 640 NE2 GLN A 85 -7.756 -17.879 -6.932 1.00 90.61 N +ATOM 641 OE1 GLN A 85 -8.771 -16.489 -5.484 1.00 93.23 O +ATOM 642 N ARG A 86 -3.237 -16.966 -3.811 1.00 98.61 N +ATOM 643 CA ARG A 86 -2.106 -16.821 -4.722 1.00 98.58 C +ATOM 644 C ARG A 86 -2.532 -17.062 -6.166 1.00 98.36 C +ATOM 645 CB ARG A 86 -0.980 -17.784 -4.339 1.00 98.26 C +ATOM 646 O ARG A 86 -2.213 -18.101 -6.747 1.00 97.74 O +ATOM 647 CG ARG A 86 -0.335 -17.476 -2.997 1.00 96.33 C +ATOM 648 CD ARG A 86 0.825 -18.415 -2.700 1.00 93.31 C +ATOM 649 NE ARG A 86 1.423 -18.139 -1.397 1.00 92.56 N +ATOM 650 NH1 ARG A 86 3.291 -19.454 -1.744 1.00 87.24 N +ATOM 651 NH2 ARG A 86 3.032 -18.320 0.231 1.00 85.86 N +ATOM 652 CZ ARG A 86 2.581 -18.638 -0.973 1.00 87.62 C +ATOM 653 N CYS A 87 -3.208 -16.118 -6.793 1.00 98.51 N +ATOM 654 CA CYS A 87 -3.810 -16.249 -8.115 1.00 98.50 C +ATOM 655 C CYS A 87 -2.793 -15.952 -9.209 1.00 98.48 C +ATOM 656 CB CYS A 87 -5.010 -15.313 -8.253 1.00 98.20 C +ATOM 657 O CYS A 87 -3.056 -16.192 -10.389 1.00 98.19 O +ATOM 658 SG CYS A 87 -4.627 -13.582 -7.908 1.00 97.67 S +ATOM 659 N GLY A 88 -1.599 -15.569 -8.933 1.00 98.59 N +ATOM 660 CA GLY A 88 -0.568 -15.162 -9.875 1.00 98.60 C +ATOM 661 C GLY A 88 -0.905 -13.877 -10.609 1.00 98.59 C +ATOM 662 O GLY A 88 -2.025 -13.373 -10.507 1.00 98.48 O +ATOM 663 N LYS A 89 0.113 -13.318 -11.266 1.00 98.61 N +ATOM 664 CA LYS A 89 0.008 -12.118 -12.091 1.00 98.61 C +ATOM 665 C LYS A 89 0.732 -12.300 -13.422 1.00 98.63 C +ATOM 666 CB LYS A 89 0.571 -10.905 -11.349 1.00 98.48 C +ATOM 667 O LYS A 89 1.901 -12.692 -13.450 1.00 98.52 O +ATOM 668 CG LYS A 89 0.535 -9.615 -12.155 1.00 97.66 C +ATOM 669 CD LYS A 89 0.915 -8.412 -11.301 1.00 96.34 C +ATOM 670 CE LYS A 89 2.387 -8.442 -10.913 1.00 93.97 C +ATOM 671 NZ LYS A 89 2.777 -7.236 -10.124 1.00 91.70 N +ATOM 672 N LEU A 90 0.005 -11.987 -14.533 1.00 98.72 N +ATOM 673 CA LEU A 90 0.592 -11.827 -15.859 1.00 98.72 C +ATOM 674 C LEU A 90 0.893 -10.361 -16.148 1.00 98.67 C +ATOM 675 CB LEU A 90 -0.347 -12.388 -16.931 1.00 98.66 C +ATOM 676 O LEU A 90 -0.015 -9.526 -16.153 1.00 98.53 O +ATOM 677 CG LEU A 90 -0.613 -13.894 -16.878 1.00 98.26 C +ATOM 678 CD1 LEU A 90 -1.666 -14.282 -17.911 1.00 97.48 C +ATOM 679 CD2 LEU A 90 0.677 -14.674 -17.103 1.00 97.45 C +ATOM 680 N VAL A 91 2.205 -10.002 -16.372 1.00 98.63 N +ATOM 681 CA VAL A 91 2.604 -8.753 -17.012 1.00 98.63 C +ATOM 682 C VAL A 91 2.760 -8.968 -18.515 1.00 98.63 C +ATOM 683 CB VAL A 91 3.917 -8.203 -16.412 1.00 98.51 C +ATOM 684 O VAL A 91 3.565 -9.796 -18.949 1.00 98.52 O +ATOM 685 CG1 VAL A 91 4.207 -6.800 -16.943 1.00 97.89 C +ATOM 686 CG2 VAL A 91 3.845 -8.196 -14.886 1.00 97.97 C +ATOM 687 N VAL A 92 1.972 -8.233 -19.294 1.00 98.41 N +ATOM 688 CA VAL A 92 1.801 -8.602 -20.695 1.00 98.37 C +ATOM 689 C VAL A 92 2.466 -7.559 -21.590 1.00 98.27 C +ATOM 690 CB VAL A 92 0.308 -8.748 -21.066 1.00 98.11 C +ATOM 691 O VAL A 92 2.306 -6.355 -21.376 1.00 97.98 O +ATOM 692 CG1 VAL A 92 -0.322 -9.922 -20.319 1.00 94.65 C +ATOM 693 CG2 VAL A 92 -0.444 -7.453 -20.763 1.00 94.89 C +ATOM 694 N ALA A 93 3.225 -7.999 -22.583 1.00 98.22 N +ATOM 695 CA ALA A 93 3.615 -7.233 -23.764 1.00 98.18 C +ATOM 696 C ALA A 93 2.551 -7.326 -24.853 1.00 98.14 C +ATOM 697 CB ALA A 93 4.960 -7.723 -24.295 1.00 98.01 C +ATOM 698 O ALA A 93 2.229 -8.419 -25.325 1.00 97.90 O +ATOM 699 N THR A 94 2.063 -6.167 -25.318 1.00 98.10 N +ATOM 700 CA THR A 94 0.988 -6.115 -26.303 1.00 98.00 C +ATOM 701 C THR A 94 1.548 -5.870 -27.702 1.00 97.82 C +ATOM 702 CB THR A 94 -0.034 -5.017 -25.957 1.00 97.78 C +ATOM 703 O THR A 94 0.791 -5.776 -28.671 1.00 97.13 O +ATOM 704 CG2 THR A 94 -0.742 -5.321 -24.640 1.00 96.35 C +ATOM 705 OG1 THR A 94 0.644 -3.760 -25.843 1.00 96.28 O +ATOM 706 N SER A 95 2.854 -5.759 -27.898 1.00 97.43 N +ATOM 707 CA SER A 95 3.558 -5.647 -29.171 1.00 97.59 C +ATOM 708 C SER A 95 4.956 -6.250 -29.084 1.00 97.74 C +ATOM 709 CB SER A 95 3.652 -4.184 -29.604 1.00 97.32 C +ATOM 710 O SER A 95 5.558 -6.284 -28.008 1.00 97.66 O +ATOM 711 OG SER A 95 4.493 -3.452 -28.729 1.00 95.29 O +ATOM 712 N PRO A 96 5.603 -6.644 -30.145 1.00 97.76 N +ATOM 713 CA PRO A 96 6.961 -7.193 -30.161 1.00 97.86 C +ATOM 714 C PRO A 96 8.000 -6.215 -29.619 1.00 97.81 C +ATOM 715 CB PRO A 96 7.206 -7.484 -31.643 1.00 97.53 C +ATOM 716 O PRO A 96 8.954 -6.627 -28.954 1.00 97.64 O +ATOM 717 CG PRO A 96 5.856 -7.806 -32.198 1.00 96.68 C +ATOM 718 CD PRO A 96 4.847 -6.898 -31.555 1.00 96.12 C +ATOM 719 N ALA A 97 7.776 -4.894 -29.812 1.00 97.40 N +ATOM 720 CA ALA A 97 8.676 -3.845 -29.341 1.00 97.44 C +ATOM 721 C ALA A 97 8.723 -3.806 -27.816 1.00 97.38 C +ATOM 722 CB ALA A 97 8.245 -2.487 -29.891 1.00 97.05 C +ATOM 723 O ALA A 97 9.706 -3.347 -27.231 1.00 97.08 O +ATOM 724 N GLN A 98 7.675 -4.330 -27.106 1.00 97.48 N +ATOM 725 CA GLN A 98 7.581 -4.338 -25.650 1.00 97.66 C +ATOM 726 C GLN A 98 8.306 -5.543 -25.058 1.00 97.85 C +ATOM 727 CB GLN A 98 6.118 -4.334 -25.205 1.00 97.48 C +ATOM 728 O GLN A 98 8.611 -5.566 -23.864 1.00 97.69 O +ATOM 729 CG GLN A 98 5.428 -2.987 -25.369 1.00 96.86 C +ATOM 730 CD GLN A 98 3.977 -3.013 -24.928 1.00 95.33 C +ATOM 731 NE2 GLN A 98 3.423 -1.839 -24.642 1.00 94.31 N +ATOM 732 OE1 GLN A 98 3.358 -4.079 -24.845 1.00 94.03 O +ATOM 733 N GLU A 99 8.704 -6.581 -25.750 1.00 98.15 N +ATOM 734 CA GLU A 99 9.283 -7.825 -25.251 1.00 98.23 C +ATOM 735 C GLU A 99 10.650 -7.583 -24.618 1.00 98.23 C +ATOM 736 CB GLU A 99 9.400 -8.853 -26.379 1.00 98.09 C +ATOM 737 O GLU A 99 10.992 -8.205 -23.610 1.00 98.10 O +ATOM 738 CG GLU A 99 8.061 -9.375 -26.877 1.00 97.24 C +ATOM 739 CD GLU A 99 8.192 -10.553 -27.829 1.00 95.84 C +ATOM 740 OE1 GLU A 99 9.213 -11.275 -27.764 1.00 95.05 O +ATOM 741 OE2 GLU A 99 7.268 -10.755 -28.648 1.00 94.95 O +ATOM 742 N SER A 100 11.441 -6.677 -25.138 1.00 98.10 N +ATOM 743 CA SER A 100 12.726 -6.316 -24.549 1.00 98.10 C +ATOM 744 C SER A 100 12.545 -5.682 -23.174 1.00 98.05 C +ATOM 745 CB SER A 100 13.485 -5.355 -25.466 1.00 97.84 C +ATOM 746 O SER A 100 13.285 -5.993 -22.239 1.00 97.87 O +ATOM 747 OG SER A 100 12.727 -4.181 -25.701 1.00 93.31 O +ATOM 748 N ARG A 101 11.451 -4.859 -22.962 1.00 97.54 N +ATOM 749 CA ARG A 101 11.115 -4.261 -21.673 1.00 97.63 C +ATOM 750 C ARG A 101 10.626 -5.319 -20.690 1.00 97.77 C +ATOM 751 CB ARG A 101 10.052 -3.174 -21.846 1.00 97.28 C +ATOM 752 O ARG A 101 10.944 -5.262 -19.500 1.00 97.66 O +ATOM 753 CG ARG A 101 10.527 -1.969 -22.642 1.00 95.40 C +ATOM 754 CD ARG A 101 9.384 -1.012 -22.953 1.00 93.24 C +ATOM 755 NE ARG A 101 8.790 -0.468 -21.735 1.00 92.37 N +ATOM 756 NH1 ARG A 101 6.852 0.261 -22.759 1.00 87.65 N +ATOM 757 NH2 ARG A 101 7.157 0.584 -20.510 1.00 85.99 N +ATOM 758 CZ ARG A 101 7.601 0.124 -21.671 1.00 88.78 C +ATOM 759 N LEU A 102 9.897 -6.319 -21.167 1.00 98.28 N +ATOM 760 CA LEU A 102 9.452 -7.450 -20.361 1.00 98.34 C +ATOM 761 C LEU A 102 10.641 -8.266 -19.865 1.00 98.40 C +ATOM 762 CB LEU A 102 8.505 -8.343 -21.167 1.00 98.09 C +ATOM 763 O LEU A 102 10.680 -8.670 -18.701 1.00 98.29 O +ATOM 764 CG LEU A 102 7.738 -9.405 -20.377 1.00 95.36 C +ATOM 765 CD1 LEU A 102 6.635 -8.754 -19.548 1.00 89.91 C +ATOM 766 CD2 LEU A 102 7.158 -10.456 -21.317 1.00 89.96 C +ATOM 767 N ALA A 103 11.672 -8.439 -20.677 1.00 98.25 N +ATOM 768 CA ALA A 103 12.906 -9.128 -20.308 1.00 98.28 C +ATOM 769 C ALA A 103 13.702 -8.318 -19.289 1.00 98.28 C +ATOM 770 CB ALA A 103 13.754 -9.400 -21.548 1.00 98.02 C +ATOM 771 O ALA A 103 14.251 -8.876 -18.336 1.00 98.16 O +ATOM 772 N ALA A 104 13.743 -7.031 -19.422 1.00 98.02 N +ATOM 773 CA ALA A 104 14.382 -6.149 -18.449 1.00 98.02 C +ATOM 774 C ALA A 104 13.659 -6.198 -17.106 1.00 98.07 C +ATOM 775 CB ALA A 104 14.425 -4.717 -18.975 1.00 97.84 C +ATOM 776 O ALA A 104 14.296 -6.290 -16.054 1.00 97.94 O +ATOM 777 N LEU A 105 12.358 -6.266 -17.087 1.00 97.97 N +ATOM 778 CA LEU A 105 11.533 -6.365 -15.888 1.00 98.02 C +ATOM 779 C LEU A 105 11.740 -7.709 -15.196 1.00 98.12 C +ATOM 780 CB LEU A 105 10.054 -6.180 -16.238 1.00 97.88 C +ATOM 781 O LEU A 105 11.825 -7.773 -13.968 1.00 98.02 O +ATOM 782 CG LEU A 105 9.071 -6.219 -15.067 1.00 97.17 C +ATOM 783 CD1 LEU A 105 9.358 -5.079 -14.095 1.00 95.98 C +ATOM 784 CD2 LEU A 105 7.634 -6.149 -15.572 1.00 95.95 C +ATOM 785 N GLN A 106 11.876 -8.815 -15.908 1.00 98.43 N +ATOM 786 CA GLN A 106 12.223 -10.116 -15.347 1.00 98.43 C +ATOM 787 C GLN A 106 13.553 -10.056 -14.600 1.00 98.43 C +ATOM 788 CB GLN A 106 12.287 -11.177 -16.447 1.00 98.41 C +ATOM 789 O GLN A 106 13.615 -10.364 -13.407 1.00 98.29 O +ATOM 790 CG GLN A 106 12.589 -12.578 -15.934 1.00 98.14 C +ATOM 791 CD GLN A 106 12.571 -13.623 -17.034 1.00 97.41 C +ATOM 792 NE2 GLN A 106 12.747 -14.885 -16.657 1.00 96.94 N +ATOM 793 OE1 GLN A 106 12.399 -13.298 -18.214 1.00 96.69 O +ATOM 794 N LYS A 107 14.641 -9.570 -15.258 1.00 98.22 N +ATOM 795 CA LYS A 107 15.964 -9.445 -14.653 1.00 98.20 C +ATOM 796 C LYS A 107 15.916 -8.576 -13.400 1.00 98.15 C +ATOM 797 CB LYS A 107 16.960 -8.864 -15.657 1.00 97.91 C +ATOM 798 O LYS A 107 16.566 -8.883 -12.400 1.00 97.97 O +ATOM 799 CG LYS A 107 17.343 -9.822 -16.775 1.00 94.54 C +ATOM 800 CD LYS A 107 18.360 -9.198 -17.722 1.00 89.51 C +ATOM 801 CE LYS A 107 18.762 -10.165 -18.828 1.00 85.89 C +ATOM 802 NZ LYS A 107 19.833 -9.595 -19.699 1.00 85.09 N +ATOM 803 N GLN A 108 15.101 -7.484 -13.467 1.00 97.74 N +ATOM 804 CA GLN A 108 14.913 -6.607 -12.316 1.00 97.75 C +ATOM 805 C GLN A 108 14.219 -7.342 -11.173 1.00 97.83 C +ATOM 806 CB GLN A 108 14.108 -5.368 -12.710 1.00 97.49 C +ATOM 807 O GLN A 108 14.651 -7.259 -10.022 1.00 97.69 O +ATOM 808 CG GLN A 108 13.903 -4.380 -11.570 1.00 96.23 C +ATOM 809 CD GLN A 108 13.251 -3.087 -12.024 1.00 94.24 C +ATOM 810 NE2 GLN A 108 11.989 -2.898 -11.654 1.00 92.65 N +ATOM 811 OE1 GLN A 108 13.877 -2.265 -12.700 1.00 93.18 O +ATOM 812 N GLY A 109 13.164 -8.108 -11.383 1.00 98.04 N +ATOM 813 CA GLY A 109 12.477 -8.911 -10.383 1.00 98.03 C +ATOM 814 C GLY A 109 13.363 -9.975 -9.762 1.00 98.06 C +ATOM 815 O GLY A 109 13.430 -10.096 -8.537 1.00 97.87 O +ATOM 816 N GLU A 110 14.108 -10.712 -10.603 1.00 97.89 N +ATOM 817 CA GLU A 110 15.080 -11.710 -10.167 1.00 97.87 C +ATOM 818 C GLU A 110 16.151 -11.085 -9.278 1.00 97.75 C +ATOM 819 CB GLU A 110 15.729 -12.392 -11.374 1.00 97.89 C +ATOM 820 O GLU A 110 16.414 -11.573 -8.177 1.00 97.46 O +ATOM 821 CG GLU A 110 14.786 -13.303 -12.146 1.00 97.69 C +ATOM 822 CD GLU A 110 15.318 -13.695 -13.516 1.00 96.93 C +ATOM 823 OE1 GLU A 110 16.384 -13.179 -13.923 1.00 96.33 O +ATOM 824 OE2 GLU A 110 14.664 -14.524 -14.187 1.00 96.33 O +ATOM 825 N ALA A 111 16.636 -9.948 -9.617 1.00 97.10 N +ATOM 826 CA ALA A 111 17.624 -9.204 -8.840 1.00 97.02 C +ATOM 827 C ALA A 111 17.027 -8.707 -7.526 1.00 96.72 C +ATOM 828 CB ALA A 111 18.165 -8.030 -9.652 1.00 96.81 C +ATOM 829 O ALA A 111 17.747 -8.513 -6.544 1.00 96.17 O +ATOM 830 N ASN A 112 15.695 -8.527 -7.423 1.00 97.22 N +ATOM 831 CA ASN A 112 14.957 -8.164 -6.218 1.00 97.13 C +ATOM 832 C ASN A 112 14.644 -9.388 -5.362 1.00 96.86 C +ATOM 833 CB ASN A 112 13.666 -7.426 -6.581 1.00 97.17 C +ATOM 834 O ASN A 112 14.058 -9.264 -4.285 1.00 96.03 O +ATOM 835 CG ASN A 112 13.922 -6.029 -7.110 1.00 96.90 C +ATOM 836 ND2 ASN A 112 12.904 -5.430 -7.717 1.00 95.54 N +ATOM 837 OD1 ASN A 112 15.025 -5.493 -6.976 1.00 95.20 O +ATOM 838 N GLY A 113 14.989 -10.616 -5.767 1.00 97.11 N +ATOM 839 CA GLY A 113 14.708 -11.854 -5.058 1.00 97.09 C +ATOM 840 C GLY A 113 13.318 -12.397 -5.333 1.00 97.17 C +ATOM 841 O GLY A 113 12.703 -13.014 -4.461 1.00 96.63 O +ATOM 842 N VAL A 114 12.714 -12.079 -6.471 1.00 98.02 N +ATOM 843 CA VAL A 114 11.519 -12.742 -6.983 1.00 97.97 C +ATOM 844 C VAL A 114 11.919 -13.871 -7.930 1.00 97.69 C +ATOM 845 CB VAL A 114 10.583 -11.746 -7.705 1.00 97.84 C +ATOM 846 O VAL A 114 11.804 -13.735 -9.151 1.00 96.76 O +ATOM 847 CG1 VAL A 114 9.206 -12.367 -7.933 1.00 97.23 C +ATOM 848 CG2 VAL A 114 10.463 -10.451 -6.905 1.00 97.13 C +ATOM 849 N ASP A 115 12.224 -15.039 -7.444 1.00 96.77 N +ATOM 850 CA ASP A 115 12.917 -16.136 -8.112 1.00 96.83 C +ATOM 851 C ASP A 115 11.934 -17.028 -8.867 1.00 96.68 C +ATOM 852 CB ASP A 115 13.710 -16.966 -7.100 1.00 94.96 C +ATOM 853 O ASP A 115 12.343 -17.950 -9.577 1.00 95.65 O +ATOM 854 CG ASP A 115 14.772 -16.160 -6.375 1.00 85.15 C +ATOM 855 OD1 ASP A 115 15.341 -15.221 -6.973 1.00 78.40 O +ATOM 856 OD2 ASP A 115 15.046 -16.468 -5.194 1.00 85.31 O +ATOM 857 N ASP A 116 10.659 -16.817 -8.806 1.00 98.19 N +ATOM 858 CA ASP A 116 9.614 -17.676 -9.353 1.00 98.25 C +ATOM 859 C ASP A 116 9.048 -17.096 -10.647 1.00 98.25 C +ATOM 860 CB ASP A 116 8.492 -17.873 -8.331 1.00 97.90 C +ATOM 861 O ASP A 116 8.002 -17.539 -11.127 1.00 97.94 O +ATOM 862 CG ASP A 116 7.748 -16.589 -8.011 1.00 96.59 C +ATOM 863 OD1 ASP A 116 8.284 -15.491 -8.277 1.00 95.30 O +ATOM 864 OD2 ASP A 116 6.617 -16.675 -7.485 1.00 94.11 O +ATOM 865 N LEU A 117 9.711 -16.086 -11.337 1.00 98.65 N +ATOM 866 CA LEU A 117 9.260 -15.424 -12.556 1.00 98.68 C +ATOM 867 C LEU A 117 9.409 -16.345 -13.762 1.00 98.63 C +ATOM 868 CB LEU A 117 10.047 -14.131 -12.786 1.00 98.61 C +ATOM 869 O LEU A 117 10.485 -16.902 -13.994 1.00 98.51 O +ATOM 870 CG LEU A 117 9.868 -13.032 -11.737 1.00 98.34 C +ATOM 871 CD1 LEU A 117 10.732 -11.824 -12.082 1.00 97.96 C +ATOM 872 CD2 LEU A 117 8.400 -12.632 -11.627 1.00 97.94 C +ATOM 873 N GLN A 118 8.387 -16.467 -14.572 1.00 98.72 N +ATOM 874 CA GLN A 118 8.359 -17.280 -15.784 1.00 98.74 C +ATOM 875 C GLN A 118 7.995 -16.437 -17.003 1.00 98.74 C +ATOM 876 CB GLN A 118 7.372 -18.438 -15.631 1.00 98.66 C +ATOM 877 O GLN A 118 6.904 -15.867 -17.066 1.00 98.68 O +ATOM 878 CG GLN A 118 7.663 -19.342 -14.442 1.00 97.87 C +ATOM 879 CD GLN A 118 6.582 -20.382 -14.216 1.00 96.04 C +ATOM 880 NE2 GLN A 118 6.556 -20.960 -13.020 1.00 95.24 N +ATOM 881 OE1 GLN A 118 5.777 -20.664 -15.110 1.00 96.16 O +ATOM 882 N ARG A 119 8.921 -16.404 -17.955 1.00 98.75 N +ATOM 883 CA ARG A 119 8.595 -15.839 -19.261 1.00 98.74 C +ATOM 884 C ARG A 119 7.772 -16.818 -20.091 1.00 98.72 C +ATOM 885 CB ARG A 119 9.870 -15.456 -20.015 1.00 98.44 C +ATOM 886 O ARG A 119 8.169 -17.970 -20.277 1.00 98.62 O +ATOM 887 CG ARG A 119 9.620 -14.637 -21.271 1.00 91.13 C +ATOM 888 CD ARG A 119 10.917 -14.097 -21.859 1.00 83.80 C +ATOM 889 NE ARG A 119 10.679 -13.343 -23.086 1.00 82.39 N +ATOM 890 NH1 ARG A 119 12.909 -12.900 -23.492 1.00 75.73 N +ATOM 891 NH2 ARG A 119 11.302 -12.126 -24.932 1.00 68.69 N +ATOM 892 CZ ARG A 119 11.631 -12.791 -23.834 1.00 71.07 C +ATOM 893 N LEU A 120 6.692 -16.330 -20.611 1.00 98.79 N +ATOM 894 CA LEU A 120 5.747 -17.096 -21.416 1.00 98.81 C +ATOM 895 C LEU A 120 5.672 -16.546 -22.837 1.00 98.79 C +ATOM 896 CB LEU A 120 4.358 -17.079 -20.775 1.00 98.79 C +ATOM 897 O LEU A 120 5.632 -15.329 -23.034 1.00 98.72 O +ATOM 898 CG LEU A 120 4.279 -17.529 -19.315 1.00 98.64 C +ATOM 899 CD1 LEU A 120 2.835 -17.490 -18.826 1.00 98.43 C +ATOM 900 CD2 LEU A 120 4.866 -18.927 -19.154 1.00 98.46 C +ATOM 901 N SER A 121 5.588 -17.417 -23.847 1.00 98.63 N +ATOM 902 CA SER A 121 5.166 -17.088 -25.204 1.00 98.65 C +ATOM 903 C SER A 121 3.704 -16.656 -25.239 1.00 98.70 C +ATOM 904 CB SER A 121 5.374 -18.284 -26.135 1.00 98.59 C +ATOM 905 O SER A 121 2.961 -16.884 -24.282 1.00 98.67 O +ATOM 906 OG SER A 121 4.545 -19.368 -25.754 1.00 98.13 O +ATOM 907 N ALA A 122 3.275 -16.118 -26.375 1.00 98.61 N +ATOM 908 CA ALA A 122 1.885 -15.725 -26.590 1.00 98.62 C +ATOM 909 C ALA A 122 0.953 -16.930 -26.497 1.00 98.60 C +ATOM 910 CB ALA A 122 1.730 -15.040 -27.945 1.00 98.43 C +ATOM 911 O ALA A 122 -0.167 -16.818 -25.993 1.00 98.50 O +ATOM 912 N ALA A 123 1.377 -18.094 -26.932 1.00 98.70 N +ATOM 913 CA ALA A 123 0.594 -19.327 -26.894 1.00 98.74 C +ATOM 914 C ALA A 123 0.439 -19.835 -25.464 1.00 98.74 C +ATOM 915 CB ALA A 123 1.244 -20.397 -27.768 1.00 98.63 C +ATOM 916 O ALA A 123 -0.670 -20.157 -25.030 1.00 98.70 O +ATOM 917 N GLU A 124 1.495 -19.859 -24.675 1.00 98.77 N +ATOM 918 CA GLU A 124 1.490 -20.270 -23.274 1.00 98.80 C +ATOM 919 C GLU A 124 0.646 -19.325 -22.424 1.00 98.78 C +ATOM 920 CB GLU A 124 2.919 -20.335 -22.727 1.00 98.75 C +ATOM 921 O GLU A 124 -0.185 -19.771 -21.629 1.00 98.73 O +ATOM 922 CG GLU A 124 3.751 -21.467 -23.312 1.00 98.51 C +ATOM 923 CD GLU A 124 5.247 -21.261 -23.143 1.00 97.94 C +ATOM 924 OE1 GLU A 124 5.730 -20.124 -23.346 1.00 97.65 O +ATOM 925 OE2 GLU A 124 5.943 -22.245 -22.806 1.00 97.28 O +ATOM 926 N ALA A 125 0.694 -18.007 -22.600 1.00 98.77 N +ATOM 927 CA ALA A 125 -0.092 -17.000 -21.891 1.00 98.78 C +ATOM 928 C ALA A 125 -1.579 -17.145 -22.202 1.00 98.76 C +ATOM 929 CB ALA A 125 0.390 -15.597 -22.252 1.00 98.73 C +ATOM 930 O ALA A 125 -2.414 -17.123 -21.295 1.00 98.70 O +ATOM 931 N ARG A 126 -1.945 -17.480 -23.471 1.00 98.73 N +ATOM 932 CA ARG A 126 -3.324 -17.685 -23.903 1.00 98.70 C +ATOM 933 C ARG A 126 -3.851 -19.036 -23.432 1.00 98.64 C +ATOM 934 CB ARG A 126 -3.430 -17.583 -25.427 1.00 98.51 C +ATOM 935 O ARG A 126 -5.059 -19.214 -23.268 1.00 98.48 O +ATOM 936 CG ARG A 126 -3.376 -16.158 -25.954 1.00 96.90 C +ATOM 937 CD ARG A 126 -3.475 -16.115 -27.473 1.00 94.89 C +ATOM 938 NE ARG A 126 -2.679 -15.028 -28.034 1.00 92.72 N +ATOM 939 NH1 ARG A 126 -4.360 -14.224 -29.400 1.00 88.46 N +ATOM 940 NH2 ARG A 126 -2.307 -13.204 -29.380 1.00 86.93 N +ATOM 941 CZ ARG A 126 -3.117 -14.155 -28.936 1.00 87.74 C +ATOM 942 N ALA A 127 -2.973 -20.015 -23.251 1.00 98.74 N +ATOM 943 CA ALA A 127 -3.381 -21.287 -22.661 1.00 98.70 C +ATOM 944 C ALA A 127 -3.781 -21.111 -21.199 1.00 98.62 C +ATOM 945 CB ALA A 127 -2.257 -22.314 -22.782 1.00 98.58 C +ATOM 946 O ALA A 127 -4.670 -21.808 -20.704 1.00 98.46 O +ATOM 947 N LEU A 128 -3.177 -20.104 -20.479 1.00 98.61 N +ATOM 948 CA LEU A 128 -3.519 -19.767 -19.101 1.00 98.62 C +ATOM 949 C LEU A 128 -4.745 -18.861 -19.051 1.00 98.51 C +ATOM 950 CB LEU A 128 -2.337 -19.086 -18.406 1.00 98.60 C +ATOM 951 O LEU A 128 -5.631 -19.054 -18.215 1.00 98.33 O +ATOM 952 CG LEU A 128 -1.095 -19.949 -18.180 1.00 98.37 C +ATOM 953 CD1 LEU A 128 0.001 -19.133 -17.503 1.00 98.06 C +ATOM 954 CD2 LEU A 128 -1.442 -21.180 -17.349 1.00 97.98 C +ATOM 955 N GLU A 129 -4.842 -17.882 -19.900 1.00 98.65 N +ATOM 956 CA GLU A 129 -5.894 -16.875 -19.987 1.00 98.64 C +ATOM 957 C GLU A 129 -6.360 -16.687 -21.428 1.00 98.54 C +ATOM 958 CB GLU A 129 -5.410 -15.541 -19.412 1.00 98.54 C +ATOM 959 O GLU A 129 -5.872 -15.802 -22.133 1.00 98.20 O +ATOM 960 CG GLU A 129 -5.010 -15.612 -17.946 1.00 98.02 C +ATOM 961 CD GLU A 129 -6.162 -15.986 -17.027 1.00 96.70 C +ATOM 962 OE1 GLU A 129 -7.329 -15.972 -17.480 1.00 95.55 O +ATOM 963 OE2 GLU A 129 -5.895 -16.295 -15.844 1.00 95.35 O +ATOM 964 N PRO A 130 -7.397 -17.489 -22.023 1.00 97.50 N +ATOM 965 CA PRO A 130 -7.779 -17.578 -23.434 1.00 97.29 C +ATOM 966 C PRO A 130 -8.245 -16.241 -24.005 1.00 96.27 C +ATOM 967 CB PRO A 130 -8.922 -18.597 -23.426 1.00 96.61 C +ATOM 968 O PRO A 130 -8.192 -16.032 -25.220 1.00 94.70 O +ATOM 969 CG PRO A 130 -8.594 -19.530 -22.305 1.00 96.44 C +ATOM 970 CD PRO A 130 -8.015 -18.732 -21.173 1.00 96.67 C +ATOM 971 N GLY A 131 -8.679 -15.263 -23.219 1.00 96.64 N +ATOM 972 CA GLY A 131 -9.127 -13.952 -23.659 1.00 96.78 C +ATOM 973 C GLY A 131 -7.993 -12.957 -23.821 1.00 97.45 C +ATOM 974 O GLY A 131 -8.214 -11.820 -24.244 1.00 97.29 O +ATOM 975 N LEU A 132 -6.749 -13.329 -23.547 1.00 98.43 N +ATOM 976 CA LEU A 132 -5.603 -12.430 -23.462 1.00 98.47 C +ATOM 977 C LEU A 132 -4.999 -12.187 -24.841 1.00 98.38 C +ATOM 978 CB LEU A 132 -4.541 -13.004 -22.521 1.00 98.18 C +ATOM 979 O LEU A 132 -4.593 -13.133 -25.521 1.00 98.13 O +ATOM 980 CG LEU A 132 -3.348 -12.098 -22.212 1.00 96.77 C +ATOM 981 CD1 LEU A 132 -3.810 -10.849 -21.469 1.00 94.55 C +ATOM 982 CD2 LEU A 132 -2.299 -12.852 -21.401 1.00 94.79 C +ATOM 983 N ALA A 133 -4.869 -10.959 -25.266 1.00 98.45 N +ATOM 984 CA ALA A 133 -4.108 -10.510 -26.429 1.00 98.44 C +ATOM 985 C ALA A 133 -2.735 -9.987 -26.018 1.00 98.35 C +ATOM 986 CB ALA A 133 -4.880 -9.431 -27.185 1.00 98.11 C +ATOM 987 O ALA A 133 -2.624 -8.907 -25.432 1.00 98.09 O +ATOM 988 N CYS A 134 -1.674 -10.728 -26.346 1.00 98.50 N +ATOM 989 CA CYS A 134 -0.295 -10.356 -26.050 1.00 98.53 C +ATOM 990 C CYS A 134 0.672 -11.037 -27.011 1.00 98.44 C +ATOM 991 CB CYS A 134 0.062 -10.721 -24.610 1.00 98.42 C +ATOM 992 O CYS A 134 0.324 -12.035 -27.645 1.00 98.14 O +ATOM 993 SG CYS A 134 0.042 -12.498 -24.283 1.00 98.21 S +ATOM 994 N THR A 135 1.931 -10.547 -27.115 1.00 98.56 N +ATOM 995 CA THR A 135 3.023 -11.155 -27.867 1.00 98.56 C +ATOM 996 C THR A 135 3.909 -11.994 -26.949 1.00 98.57 C +ATOM 997 CB THR A 135 3.878 -10.087 -28.574 1.00 98.39 C +ATOM 998 O THR A 135 4.475 -13.002 -27.377 1.00 98.43 O +ATOM 999 CG2 THR A 135 3.083 -9.382 -29.667 1.00 96.74 C +ATOM 1000 OG1 THR A 135 4.311 -9.117 -27.612 1.00 96.57 O +ATOM 1001 N ALA A 136 4.000 -11.670 -25.694 1.00 98.52 N +ATOM 1002 CA ALA A 136 4.654 -12.388 -24.603 1.00 98.59 C +ATOM 1003 C ALA A 136 4.070 -11.983 -23.252 1.00 98.65 C +ATOM 1004 CB ALA A 136 6.159 -12.136 -24.626 1.00 98.43 C +ATOM 1005 O ALA A 136 3.414 -10.945 -23.139 1.00 98.61 O +ATOM 1006 N ALA A 137 4.295 -12.781 -22.196 1.00 98.70 N +ATOM 1007 CA ALA A 137 3.937 -12.419 -20.827 1.00 98.73 C +ATOM 1008 C ALA A 137 5.044 -12.804 -19.850 1.00 98.73 C +ATOM 1009 CB ALA A 137 2.623 -13.084 -20.426 1.00 98.63 C +ATOM 1010 O ALA A 137 5.853 -13.690 -20.137 1.00 98.66 O +ATOM 1011 N LEU A 138 5.117 -12.155 -18.758 1.00 98.73 N +ATOM 1012 CA LEU A 138 5.856 -12.544 -17.562 1.00 98.74 C +ATOM 1013 C LEU A 138 4.903 -12.938 -16.438 1.00 98.72 C +ATOM 1014 CB LEU A 138 6.766 -11.403 -17.099 1.00 98.65 C +ATOM 1015 O LEU A 138 4.174 -12.094 -15.912 1.00 98.61 O +ATOM 1016 CG LEU A 138 7.696 -11.711 -15.925 1.00 98.04 C +ATOM 1017 CD1 LEU A 138 8.715 -12.773 -16.321 1.00 96.87 C +ATOM 1018 CD2 LEU A 138 8.395 -10.442 -15.449 1.00 96.93 C +ATOM 1019 N LEU A 139 4.864 -14.232 -16.134 1.00 98.80 N +ATOM 1020 CA LEU A 139 4.105 -14.763 -15.007 1.00 98.80 C +ATOM 1021 C LEU A 139 4.873 -14.584 -13.701 1.00 98.77 C +ATOM 1022 CB LEU A 139 3.785 -16.244 -15.225 1.00 98.75 C +ATOM 1023 O LEU A 139 6.045 -14.956 -13.610 1.00 98.68 O +ATOM 1024 CG LEU A 139 3.111 -16.971 -14.061 1.00 98.50 C +ATOM 1025 CD1 LEU A 139 1.753 -16.344 -13.760 1.00 98.14 C +ATOM 1026 CD2 LEU A 139 2.962 -18.457 -14.372 1.00 98.10 C +ATOM 1027 N SER A 140 4.235 -14.067 -12.658 1.00 98.64 N +ATOM 1028 CA SER A 140 4.659 -14.024 -11.262 1.00 98.62 C +ATOM 1029 C SER A 140 3.733 -14.850 -10.377 1.00 98.61 C +ATOM 1030 CB SER A 140 4.703 -12.580 -10.760 1.00 98.45 C +ATOM 1031 O SER A 140 2.707 -14.353 -9.907 1.00 98.42 O +ATOM 1032 OG SER A 140 5.132 -12.529 -9.410 1.00 92.29 O +ATOM 1033 N PRO A 141 4.028 -16.162 -10.072 1.00 98.68 N +ATOM 1034 CA PRO A 141 3.138 -17.061 -9.333 1.00 98.66 C +ATOM 1035 C PRO A 141 2.945 -16.638 -7.879 1.00 98.61 C +ATOM 1036 CB PRO A 141 3.851 -18.413 -9.419 1.00 98.55 C +ATOM 1037 O PRO A 141 1.896 -16.905 -7.288 1.00 98.45 O +ATOM 1038 CG PRO A 141 4.637 -18.350 -10.688 1.00 98.10 C +ATOM 1039 CD PRO A 141 5.169 -16.955 -10.852 1.00 97.66 C +ATOM 1040 N SER A 142 3.884 -15.933 -7.311 1.00 98.33 N +ATOM 1041 CA SER A 142 3.871 -15.560 -5.900 1.00 98.32 C +ATOM 1042 C SER A 142 2.998 -14.333 -5.660 1.00 98.35 C +ATOM 1043 CB SER A 142 5.293 -15.290 -5.405 1.00 97.93 C +ATOM 1044 O SER A 142 2.732 -13.969 -4.513 1.00 98.11 O +ATOM 1045 OG SER A 142 5.886 -14.229 -6.134 1.00 90.89 O +ATOM 1046 N THR A 143 2.526 -13.658 -6.682 1.00 98.65 N +ATOM 1047 CA THR A 143 1.546 -12.587 -6.536 1.00 98.67 C +ATOM 1048 C THR A 143 0.183 -13.152 -6.145 1.00 98.69 C +ATOM 1049 CB THR A 143 1.414 -11.771 -7.835 1.00 98.52 C +ATOM 1050 O THR A 143 -0.206 -14.225 -6.610 1.00 98.61 O +ATOM 1051 CG2 THR A 143 0.452 -10.601 -7.653 1.00 95.91 C +ATOM 1052 OG1 THR A 143 2.701 -11.263 -8.207 1.00 95.90 O +ATOM 1053 N GLY A 144 -0.538 -12.463 -5.284 1.00 98.68 N +ATOM 1054 CA GLY A 144 -1.860 -12.867 -4.832 1.00 98.66 C +ATOM 1055 C GLY A 144 -2.756 -11.694 -4.483 1.00 98.66 C +ATOM 1056 O GLY A 144 -2.438 -10.547 -4.803 1.00 98.53 O +ATOM 1057 N ILE A 145 -3.890 -12.005 -3.840 1.00 98.71 N +ATOM 1058 CA ILE A 145 -4.855 -11.071 -3.271 1.00 98.71 C +ATOM 1059 C ILE A 145 -5.186 -11.479 -1.838 1.00 98.72 C +ATOM 1060 CB ILE A 145 -6.144 -11.003 -4.121 1.00 98.60 C +ATOM 1061 O ILE A 145 -5.017 -12.641 -1.462 1.00 98.64 O +ATOM 1062 CG1 ILE A 145 -6.736 -12.405 -4.305 1.00 96.97 C +ATOM 1063 CG2 ILE A 145 -5.865 -10.344 -5.474 1.00 97.11 C +ATOM 1064 CD1 ILE A 145 -8.040 -12.427 -5.091 1.00 94.57 C +ATOM 1065 N VAL A 146 -5.616 -10.571 -1.034 1.00 98.84 N +ATOM 1066 CA VAL A 146 -5.933 -10.786 0.374 1.00 98.84 C +ATOM 1067 C VAL A 146 -7.147 -9.947 0.765 1.00 98.82 C +ATOM 1068 CB VAL A 146 -4.732 -10.443 1.284 1.00 98.79 C +ATOM 1069 O VAL A 146 -7.346 -8.849 0.239 1.00 98.74 O +ATOM 1070 CG1 VAL A 146 -4.370 -8.964 1.165 1.00 97.67 C +ATOM 1071 CG2 VAL A 146 -5.043 -10.805 2.735 1.00 97.63 C +ATOM 1072 N ASP A 147 -7.987 -10.449 1.681 1.00 98.70 N +ATOM 1073 CA ASP A 147 -8.951 -9.611 2.386 1.00 98.70 C +ATOM 1074 C ASP A 147 -8.245 -8.577 3.260 1.00 98.70 C +ATOM 1075 CB ASP A 147 -9.885 -10.471 3.241 1.00 98.66 C +ATOM 1076 O ASP A 147 -7.808 -8.888 4.370 1.00 98.59 O +ATOM 1077 CG ASP A 147 -10.873 -9.649 4.050 1.00 98.42 C +ATOM 1078 OD1 ASP A 147 -10.900 -8.409 3.902 1.00 97.89 O +ATOM 1079 OD2 ASP A 147 -11.628 -10.248 4.847 1.00 97.55 O +ATOM 1080 N SER A 148 -8.141 -7.330 2.740 1.00 98.78 N +ATOM 1081 CA SER A 148 -7.418 -6.255 3.413 1.00 98.77 C +ATOM 1082 C SER A 148 -8.134 -5.821 4.687 1.00 98.77 C +ATOM 1083 CB SER A 148 -7.250 -5.056 2.479 1.00 98.66 C +ATOM 1084 O SER A 148 -7.493 -5.393 5.650 1.00 98.68 O +ATOM 1085 OG SER A 148 -8.511 -4.550 2.078 1.00 92.89 O +ATOM 1086 N HIS A 149 -9.449 -5.927 4.730 1.00 98.64 N +ATOM 1087 CA HIS A 149 -10.204 -5.636 5.943 1.00 98.67 C +ATOM 1088 C HIS A 149 -9.989 -6.715 6.999 1.00 98.74 C +ATOM 1089 CB HIS A 149 -11.695 -5.500 5.627 1.00 98.49 C +ATOM 1090 O HIS A 149 -9.643 -6.410 8.142 1.00 98.70 O +ATOM 1091 CG HIS A 149 -12.527 -5.124 6.812 1.00 96.03 C +ATOM 1092 CD2 HIS A 149 -13.447 -5.829 7.511 1.00 90.84 C +ATOM 1093 ND1 HIS A 149 -12.461 -3.881 7.403 1.00 89.51 N +ATOM 1094 CE1 HIS A 149 -13.306 -3.838 8.420 1.00 86.83 C +ATOM 1095 NE2 HIS A 149 -13.917 -5.008 8.507 1.00 89.91 N +ATOM 1096 N GLY A 150 -10.058 -8.036 6.635 1.00 98.80 N +ATOM 1097 CA GLY A 150 -9.706 -9.148 7.503 1.00 98.83 C +ATOM 1098 C GLY A 150 -8.281 -9.075 8.018 1.00 98.86 C +ATOM 1099 O GLY A 150 -8.032 -9.297 9.205 1.00 98.84 O +ATOM 1100 N LEU A 151 -7.358 -8.690 7.197 1.00 98.91 N +ATOM 1101 CA LEU A 151 -5.973 -8.457 7.591 1.00 98.92 C +ATOM 1102 C LEU A 151 -5.886 -7.366 8.653 1.00 98.93 C +ATOM 1103 CB LEU A 151 -5.128 -8.069 6.374 1.00 98.91 C +ATOM 1104 O LEU A 151 -5.209 -7.536 9.670 1.00 98.92 O +ATOM 1105 CG LEU A 151 -3.691 -7.629 6.659 1.00 98.81 C +ATOM 1106 CD1 LEU A 151 -2.911 -8.761 7.320 1.00 98.64 C +ATOM 1107 CD2 LEU A 151 -3.005 -7.179 5.374 1.00 98.65 C +ATOM 1108 N MET A 152 -6.576 -6.190 8.510 1.00 98.91 N +ATOM 1109 CA MET A 152 -6.536 -5.086 9.465 1.00 98.91 C +ATOM 1110 C MET A 152 -7.199 -5.481 10.781 1.00 98.91 C +ATOM 1111 CB MET A 152 -7.220 -3.847 8.886 1.00 98.88 C +ATOM 1112 O MET A 152 -6.695 -5.157 11.857 1.00 98.87 O +ATOM 1113 CG MET A 152 -6.392 -3.125 7.835 1.00 98.65 C +ATOM 1114 SD MET A 152 -7.176 -1.564 7.273 1.00 98.27 S +ATOM 1115 CE MET A 152 -8.629 -2.227 6.412 1.00 96.98 C +ATOM 1116 N LEU A 153 -8.249 -6.300 10.751 1.00 98.85 N +ATOM 1117 CA LEU A 153 -8.908 -6.829 11.940 1.00 98.85 C +ATOM 1118 C LEU A 153 -7.985 -7.777 12.698 1.00 98.87 C +ATOM 1119 CB LEU A 153 -10.201 -7.554 11.558 1.00 98.76 C +ATOM 1120 O LEU A 153 -7.854 -7.678 13.920 1.00 98.84 O +ATOM 1121 CG LEU A 153 -11.400 -6.668 11.214 1.00 96.88 C +ATOM 1122 CD1 LEU A 153 -12.547 -7.515 10.675 1.00 92.49 C +ATOM 1123 CD2 LEU A 153 -11.844 -5.872 12.437 1.00 92.61 C +ATOM 1124 N ALA A 154 -7.291 -8.682 12.026 1.00 98.86 N +ATOM 1125 CA ALA A 154 -6.351 -9.623 12.630 1.00 98.87 C +ATOM 1126 C ALA A 154 -5.147 -8.892 13.218 1.00 98.87 C +ATOM 1127 CB ALA A 154 -5.893 -10.652 11.600 1.00 98.81 C +ATOM 1128 O ALA A 154 -4.706 -9.202 14.328 1.00 98.84 O +ATOM 1129 N LEU A 155 -4.627 -7.850 12.562 1.00 98.92 N +ATOM 1130 CA LEU A 155 -3.530 -7.028 13.061 1.00 98.93 C +ATOM 1131 C LEU A 155 -3.943 -6.281 14.325 1.00 98.92 C +ATOM 1132 CB LEU A 155 -3.077 -6.031 11.991 1.00 98.92 C +ATOM 1133 O LEU A 155 -3.184 -6.230 15.296 1.00 98.89 O +ATOM 1134 CG LEU A 155 -2.255 -6.605 10.835 1.00 98.87 C +ATOM 1135 CD1 LEU A 155 -2.111 -5.571 9.723 1.00 98.78 C +ATOM 1136 CD2 LEU A 155 -0.886 -7.062 11.328 1.00 98.78 C +ATOM 1137 N LEU A 156 -5.170 -5.683 14.317 1.00 98.88 N +ATOM 1138 CA LEU A 156 -5.706 -5.008 15.494 1.00 98.87 C +ATOM 1139 C LEU A 156 -5.896 -5.991 16.644 1.00 98.86 C +ATOM 1140 CB LEU A 156 -7.037 -4.328 15.163 1.00 98.85 C +ATOM 1141 O LEU A 156 -5.374 -5.779 17.741 1.00 98.80 O +ATOM 1142 CG LEU A 156 -7.747 -3.627 16.322 1.00 98.74 C +ATOM 1143 CD1 LEU A 156 -6.843 -2.560 16.930 1.00 98.58 C +ATOM 1144 CD2 LEU A 156 -9.063 -3.017 15.853 1.00 98.57 C +ATOM 1145 N GLY A 157 -6.533 -7.167 16.397 1.00 98.81 N +ATOM 1146 CA GLY A 157 -6.736 -8.188 17.412 1.00 98.82 C +ATOM 1147 C GLY A 157 -5.438 -8.716 17.995 1.00 98.81 C +ATOM 1148 O GLY A 157 -5.312 -8.860 19.213 1.00 98.76 O +ATOM 1149 N ASP A 158 -4.364 -8.942 17.168 1.00 98.71 N +ATOM 1150 CA ASP A 158 -3.026 -9.324 17.610 1.00 98.67 C +ATOM 1151 C ASP A 158 -2.397 -8.229 18.469 1.00 98.69 C +ATOM 1152 CB ASP A 158 -2.130 -9.628 16.407 1.00 98.26 C +ATOM 1153 O ASP A 158 -1.758 -8.519 19.483 1.00 98.60 O +ATOM 1154 CG ASP A 158 -2.122 -11.099 16.030 1.00 89.90 C +ATOM 1155 OD1 ASP A 158 -2.999 -11.854 16.503 1.00 87.40 O +ATOM 1156 OD2 ASP A 158 -1.230 -11.507 15.256 1.00 89.13 O +ATOM 1157 N ALA A 159 -2.560 -6.963 18.123 1.00 98.80 N +ATOM 1158 CA ALA A 159 -2.057 -5.821 18.882 1.00 98.82 C +ATOM 1159 C ALA A 159 -2.740 -5.722 20.243 1.00 98.80 C +ATOM 1160 CB ALA A 159 -2.258 -4.528 18.094 1.00 98.76 C +ATOM 1161 O ALA A 159 -2.071 -5.640 21.276 1.00 98.74 O +ATOM 1162 N GLU A 160 -4.110 -5.800 20.297 1.00 98.80 N +ATOM 1163 CA GLU A 160 -4.909 -5.726 21.516 1.00 98.80 C +ATOM 1164 C GLU A 160 -4.610 -6.900 22.444 1.00 98.75 C +ATOM 1165 CB GLU A 160 -6.401 -5.688 21.179 1.00 98.78 C +ATOM 1166 O GLU A 160 -4.406 -6.712 23.645 1.00 98.67 O +ATOM 1167 CG GLU A 160 -6.859 -4.377 20.557 1.00 98.58 C +ATOM 1168 CD GLU A 160 -8.340 -4.359 20.216 1.00 98.15 C +ATOM 1169 OE1 GLU A 160 -8.897 -5.427 19.874 1.00 98.04 O +ATOM 1170 OE2 GLU A 160 -8.949 -3.269 20.291 1.00 97.78 O +ATOM 1171 N THR A 161 -4.408 -8.140 21.903 1.00 98.62 N +ATOM 1172 CA THR A 161 -4.023 -9.330 22.653 1.00 98.62 C +ATOM 1173 C THR A 161 -2.648 -9.147 23.288 1.00 98.53 C +ATOM 1174 CB THR A 161 -4.015 -10.579 21.754 1.00 98.58 C +ATOM 1175 O THR A 161 -2.392 -9.652 24.383 1.00 98.39 O +ATOM 1176 CG2 THR A 161 -3.549 -11.810 22.526 1.00 97.94 C +ATOM 1177 OG1 THR A 161 -5.338 -10.813 21.257 1.00 98.23 O +ATOM 1178 N ALA A 162 -1.765 -8.326 22.670 1.00 98.41 N +ATOM 1179 CA ALA A 162 -0.419 -8.038 23.158 1.00 98.33 C +ATOM 1180 C ALA A 162 -0.416 -6.813 24.069 1.00 98.30 C +ATOM 1181 CB ALA A 162 0.538 -7.828 21.988 1.00 98.11 C +ATOM 1182 O ALA A 162 0.644 -6.360 24.508 1.00 97.93 O +ATOM 1183 N GLY A 163 -1.610 -6.169 24.303 1.00 97.90 N +ATOM 1184 CA GLY A 163 -1.758 -5.113 25.292 1.00 97.91 C +ATOM 1185 C GLY A 163 -1.843 -3.728 24.678 1.00 97.96 C +ATOM 1186 O GLY A 163 -1.759 -2.723 25.386 1.00 97.62 O +ATOM 1187 N ALA A 164 -2.065 -3.553 23.362 1.00 98.49 N +ATOM 1188 CA ALA A 164 -2.295 -2.254 22.734 1.00 98.49 C +ATOM 1189 C ALA A 164 -3.732 -1.788 22.947 1.00 98.40 C +ATOM 1190 CB ALA A 164 -1.975 -2.321 21.242 1.00 98.41 C +ATOM 1191 O ALA A 164 -4.651 -2.607 23.030 1.00 98.13 O +ATOM 1192 N ALA A 165 -3.950 -0.486 22.966 1.00 98.37 N +ATOM 1193 CA ALA A 165 -5.277 0.122 23.016 1.00 98.35 C +ATOM 1194 C ALA A 165 -5.510 1.027 21.810 1.00 98.42 C +ATOM 1195 CB ALA A 165 -5.452 0.911 24.311 1.00 98.12 C +ATOM 1196 O ALA A 165 -4.642 1.823 21.445 1.00 98.29 O +ATOM 1197 N LEU A 166 -6.717 0.948 21.206 1.00 98.28 N +ATOM 1198 CA LEU A 166 -7.145 1.810 20.110 1.00 98.26 C +ATOM 1199 C LEU A 166 -8.016 2.952 20.624 1.00 98.04 C +ATOM 1200 CB LEU A 166 -7.912 1.002 19.060 1.00 98.24 C +ATOM 1201 O LEU A 166 -9.116 2.720 21.130 1.00 97.49 O +ATOM 1202 CG LEU A 166 -8.472 1.789 17.875 1.00 98.16 C +ATOM 1203 CD1 LEU A 166 -7.341 2.456 17.099 1.00 97.92 C +ATOM 1204 CD2 LEU A 166 -9.287 0.876 16.964 1.00 97.82 C +ATOM 1205 N ALA A 167 -7.553 4.152 20.458 1.00 97.40 N +ATOM 1206 CA ALA A 167 -8.287 5.382 20.744 1.00 97.35 C +ATOM 1207 C ALA A 167 -8.846 5.997 19.464 1.00 97.37 C +ATOM 1208 CB ALA A 167 -7.388 6.384 21.464 1.00 97.01 C +ATOM 1209 O ALA A 167 -8.126 6.677 18.729 1.00 96.98 O +ATOM 1210 N LEU A 168 -10.151 5.789 19.206 1.00 97.59 N +ATOM 1211 CA LEU A 168 -10.900 6.369 18.097 1.00 97.54 C +ATOM 1212 C LEU A 168 -11.279 7.816 18.394 1.00 97.17 C +ATOM 1213 CB LEU A 168 -12.160 5.547 17.813 1.00 97.42 C +ATOM 1214 O LEU A 168 -11.213 8.256 19.544 1.00 96.57 O +ATOM 1215 CG LEU A 168 -11.939 4.100 17.369 1.00 97.31 C +ATOM 1216 CD1 LEU A 168 -13.276 3.379 17.228 1.00 96.99 C +ATOM 1217 CD2 LEU A 168 -11.161 4.055 16.058 1.00 96.80 C +ATOM 1218 N HIS A 169 -11.610 8.614 17.319 1.00 96.65 N +ATOM 1219 CA HIS A 169 -11.951 10.031 17.369 1.00 96.58 C +ATOM 1220 C HIS A 169 -10.886 10.828 18.115 1.00 96.17 C +ATOM 1221 CB HIS A 169 -13.316 10.231 18.030 1.00 96.35 C +ATOM 1222 O HIS A 169 -11.199 11.817 18.782 1.00 95.02 O +ATOM 1223 CG HIS A 169 -14.437 9.550 17.311 1.00 96.19 C +ATOM 1224 CD2 HIS A 169 -15.206 8.493 17.662 1.00 95.00 C +ATOM 1225 ND1 HIS A 169 -14.875 9.950 16.067 1.00 94.65 N +ATOM 1226 CE1 HIS A 169 -15.869 9.166 15.684 1.00 94.21 C +ATOM 1227 NE2 HIS A 169 -16.089 8.274 16.634 1.00 94.39 N +ATOM 1228 N SER A 170 -9.621 10.402 18.059 1.00 96.64 N +ATOM 1229 CA SER A 170 -8.489 10.928 18.813 1.00 96.66 C +ATOM 1230 C SER A 170 -7.384 11.418 17.883 1.00 96.69 C +ATOM 1231 CB SER A 170 -7.934 9.862 19.760 1.00 96.35 C +ATOM 1232 O SER A 170 -6.274 10.882 17.893 1.00 95.97 O +ATOM 1233 OG SER A 170 -8.914 9.471 20.706 1.00 94.72 O +ATOM 1234 N PRO A 171 -7.620 12.439 17.008 1.00 96.48 N +ATOM 1235 CA PRO A 171 -6.545 13.032 16.209 1.00 96.67 C +ATOM 1236 C PRO A 171 -5.414 13.594 17.066 1.00 96.82 C +ATOM 1237 CB PRO A 171 -7.254 14.149 15.439 1.00 96.23 C +ATOM 1238 O PRO A 171 -5.668 14.205 18.107 1.00 96.69 O +ATOM 1239 CG PRO A 171 -8.366 14.586 16.338 1.00 95.09 C +ATOM 1240 CD PRO A 171 -8.859 13.391 17.103 1.00 94.49 C +ATOM 1241 N LEU A 172 -4.161 13.359 16.571 1.00 97.13 N +ATOM 1242 CA LEU A 172 -3.090 14.178 17.128 1.00 97.15 C +ATOM 1243 C LEU A 172 -3.258 15.640 16.726 1.00 96.64 C +ATOM 1244 CB LEU A 172 -1.725 13.663 16.664 1.00 96.92 C +ATOM 1245 O LEU A 172 -3.219 15.970 15.539 1.00 95.65 O +ATOM 1246 CG LEU A 172 -0.500 14.389 17.224 1.00 96.34 C +ATOM 1247 CD1 LEU A 172 -0.316 14.055 18.701 1.00 95.14 C +ATOM 1248 CD2 LEU A 172 0.748 14.024 16.429 1.00 95.06 C +ATOM 1249 N LEU A 173 -3.361 16.520 17.772 1.00 95.31 N +ATOM 1250 CA LEU A 173 -3.538 17.952 17.557 1.00 95.44 C +ATOM 1251 C LEU A 173 -2.192 18.668 17.526 1.00 94.80 C +ATOM 1252 CB LEU A 173 -4.424 18.553 18.652 1.00 95.22 C +ATOM 1253 O LEU A 173 -1.939 19.486 16.639 1.00 93.77 O +ATOM 1254 CG LEU A 173 -5.847 18.001 18.752 1.00 94.62 C +ATOM 1255 CD1 LEU A 173 -6.624 18.733 19.841 1.00 93.23 C +ATOM 1256 CD2 LEU A 173 -6.561 18.116 17.410 1.00 93.18 C +ATOM 1257 N ARG A 174 -1.333 18.419 18.445 1.00 96.18 N +ATOM 1258 CA ARG A 174 0.014 18.972 18.547 1.00 96.50 C +ATOM 1259 C ARG A 174 0.901 18.096 19.424 1.00 96.83 C +ATOM 1260 CB ARG A 174 -0.030 20.397 19.103 1.00 95.82 C +ATOM 1261 O ARG A 174 0.401 17.317 20.239 1.00 96.80 O +ATOM 1262 CG ARG A 174 -0.664 20.501 20.481 1.00 93.64 C +ATOM 1263 CD ARG A 174 -0.814 21.949 20.925 1.00 92.91 C +ATOM 1264 NE ARG A 174 -1.543 22.054 22.186 1.00 91.65 N +ATOM 1265 NH1 ARG A 174 -1.810 24.346 22.080 1.00 88.72 N +ATOM 1266 NH2 ARG A 174 -2.649 23.170 23.860 1.00 87.00 N +ATOM 1267 CZ ARG A 174 -1.999 23.190 22.706 1.00 87.74 C +ATOM 1268 N GLY A 175 2.259 18.230 19.278 1.00 96.82 N +ATOM 1269 CA GLY A 175 3.276 17.659 20.147 1.00 96.75 C +ATOM 1270 C GLY A 175 4.457 18.584 20.371 1.00 96.39 C +ATOM 1271 O GLY A 175 4.672 19.522 19.601 1.00 95.36 O +ATOM 1272 N SER A 176 5.144 18.324 21.401 1.00 96.77 N +ATOM 1273 CA SER A 176 6.399 19.027 21.651 1.00 96.46 C +ATOM 1274 C SER A 176 7.516 18.052 22.007 1.00 96.19 C +ATOM 1275 CB SER A 176 6.226 20.050 22.774 1.00 95.01 C +ATOM 1276 O SER A 176 7.302 17.103 22.764 1.00 95.34 O +ATOM 1277 OG SER A 176 5.804 19.417 23.970 1.00 85.08 O +ATOM 1278 N LEU A 177 8.671 18.339 21.441 1.00 92.34 N +ATOM 1279 CA LEU A 177 9.955 17.707 21.726 1.00 90.74 C +ATOM 1280 C LEU A 177 10.713 18.478 22.801 1.00 86.34 C +ATOM 1281 CB LEU A 177 10.801 17.615 20.454 1.00 89.20 C +ATOM 1282 O LEU A 177 11.053 19.648 22.609 1.00 81.26 O +ATOM 1283 CG LEU A 177 10.118 17.008 19.228 1.00 88.12 C +ATOM 1284 CD1 LEU A 177 10.993 17.186 17.991 1.00 84.52 C +ATOM 1285 CD2 LEU A 177 9.810 15.533 19.462 1.00 84.06 C +ATOM 1286 N ASP A 178 10.798 17.875 23.962 1.00 84.20 N +ATOM 1287 CA ASP A 178 11.620 18.452 25.022 1.00 84.09 C +ATOM 1288 C ASP A 178 12.993 17.788 25.076 1.00 84.37 C +ATOM 1289 CB ASP A 178 10.919 18.323 26.376 1.00 80.78 C +ATOM 1290 O ASP A 178 13.107 16.615 25.438 1.00 82.40 O +ATOM 1291 CG ASP A 178 11.702 18.956 27.512 1.00 77.24 C +ATOM 1292 OD1 ASP A 178 12.848 19.404 27.288 1.00 76.76 O +ATOM 1293 OD2 ASP A 178 11.171 19.004 28.642 1.00 75.32 O +ATOM 1294 N ALA A 179 14.022 18.563 24.775 1.00 79.99 N +ATOM 1295 CA ALA A 179 15.402 18.089 24.712 1.00 79.89 C +ATOM 1296 C ALA A 179 15.892 17.643 26.086 1.00 81.03 C +ATOM 1297 CB ALA A 179 16.313 19.179 24.153 1.00 77.05 C +ATOM 1298 O ALA A 179 16.862 16.888 26.191 1.00 80.67 O +ATOM 1299 N ASN A 180 15.303 18.034 27.146 1.00 84.30 N +ATOM 1300 CA ASN A 180 15.759 17.788 28.510 1.00 84.83 C +ATOM 1301 C ASN A 180 15.075 16.566 29.117 1.00 84.28 C +ATOM 1302 CB ASN A 180 15.522 19.019 29.386 1.00 82.78 C +ATOM 1303 O ASN A 180 15.520 16.046 30.142 1.00 83.04 O +ATOM 1304 CG ASN A 180 16.245 20.249 28.873 1.00 80.69 C +ATOM 1305 ND2 ASN A 180 15.503 21.332 28.670 1.00 84.96 N +ATOM 1306 OD1 ASN A 180 17.460 20.226 28.659 1.00 82.62 O +ATOM 1307 N THR A 181 13.994 16.212 28.533 1.00 85.64 N +ATOM 1308 CA THR A 181 13.238 15.085 29.068 1.00 85.90 C +ATOM 1309 C THR A 181 13.061 14.000 28.009 1.00 85.42 C +ATOM 1310 CB THR A 181 11.858 15.533 29.584 1.00 81.44 C +ATOM 1311 O THR A 181 12.497 14.253 26.943 1.00 82.57 O +ATOM 1312 CG2 THR A 181 11.110 14.373 30.234 1.00 72.16 C +ATOM 1313 OG1 THR A 181 12.030 16.576 30.550 1.00 71.31 O +ATOM 1314 N PRO A 182 13.485 12.796 28.339 1.00 88.07 N +ATOM 1315 CA PRO A 182 13.222 11.719 27.381 1.00 89.12 C +ATOM 1316 C PRO A 182 11.733 11.524 27.107 1.00 89.41 C +ATOM 1317 CB PRO A 182 13.818 10.486 28.065 1.00 84.72 C +ATOM 1318 O PRO A 182 10.964 11.237 28.029 1.00 87.30 O +ATOM 1319 CG PRO A 182 13.755 10.792 29.527 1.00 80.10 C +ATOM 1320 CD PRO A 182 13.852 12.280 29.707 1.00 80.55 C +ATOM 1321 N GLY A 183 11.402 11.730 25.833 1.00 94.35 N +ATOM 1322 CA GLY A 183 10.036 11.494 25.393 1.00 94.94 C +ATOM 1323 C GLY A 183 9.436 12.673 24.650 1.00 95.08 C +ATOM 1324 O GLY A 183 10.030 13.752 24.605 1.00 94.54 O +ATOM 1325 N ILE A 184 8.250 12.451 24.040 1.00 95.42 N +ATOM 1326 CA ILE A 184 7.460 13.380 23.239 1.00 96.48 C +ATOM 1327 C ILE A 184 6.123 13.646 23.926 1.00 96.26 C +ATOM 1328 CB ILE A 184 7.231 12.840 21.809 1.00 95.60 C +ATOM 1329 O ILE A 184 5.365 12.713 24.204 1.00 95.63 O +ATOM 1330 CG1 ILE A 184 8.567 12.452 21.165 1.00 93.12 C +ATOM 1331 CG2 ILE A 184 6.489 13.871 20.955 1.00 92.71 C +ATOM 1332 CD1 ILE A 184 8.424 11.626 19.894 1.00 90.79 C +ATOM 1333 N VAL A 185 5.903 14.886 24.300 1.00 95.24 N +ATOM 1334 CA VAL A 185 4.603 15.265 24.845 1.00 96.06 C +ATOM 1335 C VAL A 185 3.595 15.427 23.710 1.00 96.20 C +ATOM 1336 CB VAL A 185 4.691 16.568 25.670 1.00 95.08 C +ATOM 1337 O VAL A 185 3.824 16.194 22.772 1.00 95.95 O +ATOM 1338 CG1 VAL A 185 3.322 16.944 26.234 1.00 93.09 C +ATOM 1339 CG2 VAL A 185 5.714 16.419 26.795 1.00 92.52 C +ATOM 1340 N LEU A 186 2.524 14.791 23.801 1.00 96.05 N +ATOM 1341 CA LEU A 186 1.469 14.753 22.794 1.00 96.72 C +ATOM 1342 C LEU A 186 0.142 15.225 23.379 1.00 95.60 C +ATOM 1343 CB LEU A 186 1.317 13.338 22.230 1.00 96.40 C +ATOM 1344 O LEU A 186 -0.163 14.947 24.541 1.00 94.48 O +ATOM 1345 CG LEU A 186 2.561 12.728 21.584 1.00 96.46 C +ATOM 1346 CD1 LEU A 186 2.289 11.288 21.162 1.00 95.64 C +ATOM 1347 CD2 LEU A 186 3.008 13.565 20.390 1.00 95.82 C +ATOM 1348 N GLU A 187 -0.624 15.922 22.629 1.00 96.16 N +ATOM 1349 CA GLU A 187 -2.020 16.282 22.862 1.00 96.59 C +ATOM 1350 C GLU A 187 -2.916 15.773 21.737 1.00 96.60 C +ATOM 1351 CB GLU A 187 -2.166 17.799 23.005 1.00 94.69 C +ATOM 1352 O GLU A 187 -2.730 16.137 20.574 1.00 96.20 O +ATOM 1353 CG GLU A 187 -3.559 18.245 23.426 1.00 83.25 C +ATOM 1354 CD GLU A 187 -3.661 19.743 23.671 1.00 77.18 C +ATOM 1355 OE1 GLU A 187 -2.613 20.399 23.862 1.00 80.68 O +ATOM 1356 OE2 GLU A 187 -4.799 20.263 23.671 1.00 78.36 O +ATOM 1357 N SER A 188 -3.802 14.920 22.087 1.00 96.24 N +ATOM 1358 CA SER A 188 -4.801 14.408 21.156 1.00 96.07 C +ATOM 1359 C SER A 188 -6.143 15.108 21.345 1.00 93.85 C +ATOM 1360 CB SER A 188 -4.975 12.898 21.332 1.00 94.35 C +ATOM 1361 O SER A 188 -6.428 15.635 22.422 1.00 90.93 O +ATOM 1362 OG SER A 188 -5.524 12.601 22.604 1.00 82.31 O +ATOM 1363 N GLY A 189 -6.951 15.148 20.234 1.00 94.72 N +ATOM 1364 CA GLY A 189 -8.347 15.546 20.322 1.00 94.15 C +ATOM 1365 C GLY A 189 -9.248 14.446 20.853 1.00 91.23 C +ATOM 1366 O GLY A 189 -8.767 13.395 21.282 1.00 86.44 O +ATOM 1367 N GLY A 190 -10.597 14.650 20.805 1.00 92.64 N +ATOM 1368 CA GLY A 190 -11.615 13.754 21.329 1.00 91.52 C +ATOM 1369 C GLY A 190 -12.443 14.376 22.438 1.00 90.63 C +ATOM 1370 O GLY A 190 -12.277 15.555 22.758 1.00 86.74 O +ATOM 1371 N ALA A 191 -13.347 13.604 23.002 1.00 86.68 N +ATOM 1372 CA ALA A 191 -14.308 14.113 23.977 1.00 89.13 C +ATOM 1373 C ALA A 191 -13.599 14.649 25.217 1.00 87.89 C +ATOM 1374 CB ALA A 191 -15.300 13.020 24.366 1.00 85.41 C +ATOM 1375 O ALA A 191 -13.960 15.707 25.738 1.00 86.71 O +ATOM 1376 N ASP A 192 -12.428 14.153 25.603 1.00 87.43 N +ATOM 1377 CA ASP A 192 -11.749 14.509 26.845 1.00 87.69 C +ATOM 1378 C ASP A 192 -10.411 15.189 26.565 1.00 86.92 C +ATOM 1379 CB ASP A 192 -11.536 13.268 27.715 1.00 83.30 C +ATOM 1380 O ASP A 192 -9.718 15.613 27.492 1.00 84.54 O +ATOM 1381 CG ASP A 192 -12.836 12.597 28.121 1.00 76.40 C +ATOM 1382 OD1 ASP A 192 -13.783 13.302 28.533 1.00 74.57 O +ATOM 1383 OD2 ASP A 192 -12.914 11.353 28.032 1.00 77.97 O +ATOM 1384 N GLY A 193 -9.949 15.354 25.371 1.00 90.18 N +ATOM 1385 CA GLY A 193 -8.642 15.866 24.990 1.00 89.14 C +ATOM 1386 C GLY A 193 -7.510 15.290 25.820 1.00 86.43 C +ATOM 1387 O GLY A 193 -7.214 15.789 26.907 1.00 81.88 O +ATOM 1388 N LEU A 194 -6.803 14.297 25.409 1.00 91.04 N +ATOM 1389 CA LEU A 194 -5.786 13.597 26.186 1.00 91.98 C +ATOM 1390 C LEU A 194 -4.419 14.248 26.005 1.00 93.64 C +ATOM 1391 CB LEU A 194 -5.720 12.122 25.778 1.00 89.12 C +ATOM 1392 O LEU A 194 -3.977 14.470 24.875 1.00 93.49 O +ATOM 1393 CG LEU A 194 -7.001 11.308 25.968 1.00 80.91 C +ATOM 1394 CD1 LEU A 194 -6.807 9.887 25.450 1.00 75.79 C +ATOM 1395 CD2 LEU A 194 -7.415 11.297 27.435 1.00 76.11 C +ATOM 1396 N ARG A 195 -3.738 14.493 27.139 1.00 94.71 N +ATOM 1397 CA ARG A 195 -2.350 14.944 27.163 1.00 94.98 C +ATOM 1398 C ARG A 195 -1.453 13.917 27.846 1.00 94.77 C +ATOM 1399 CB ARG A 195 -2.236 16.294 27.874 1.00 92.85 C +ATOM 1400 O ARG A 195 -1.584 13.671 29.047 1.00 94.08 O +ATOM 1401 CG ARG A 195 -0.863 16.938 27.756 1.00 86.74 C +ATOM 1402 CD ARG A 195 -0.840 18.332 28.367 1.00 85.49 C +ATOM 1403 NE ARG A 195 0.478 18.950 28.249 1.00 83.30 N +ATOM 1404 NH1 ARG A 195 0.010 20.707 29.673 1.00 80.49 N +ATOM 1405 NH2 ARG A 195 2.075 20.540 28.693 1.00 77.94 N +ATOM 1406 CZ ARG A 195 0.851 20.064 28.872 1.00 78.59 C +ATOM 1407 N PHE A 196 -0.442 13.372 27.110 1.00 92.49 N +ATOM 1408 CA PHE A 196 0.408 12.313 27.642 1.00 93.54 C +ATOM 1409 C PHE A 196 1.823 12.425 27.088 1.00 94.19 C +ATOM 1410 CB PHE A 196 -0.177 10.936 27.313 1.00 91.67 C +ATOM 1411 O PHE A 196 2.055 13.126 26.101 1.00 93.06 O +ATOM 1412 CG PHE A 196 -0.529 10.757 25.861 1.00 89.63 C +ATOM 1413 CD1 PHE A 196 -1.765 11.166 25.375 1.00 86.00 C +ATOM 1414 CD2 PHE A 196 0.377 10.179 24.981 1.00 87.42 C +ATOM 1415 CE1 PHE A 196 -2.093 11.002 24.031 1.00 82.30 C +ATOM 1416 CE2 PHE A 196 0.056 10.011 23.637 1.00 80.58 C +ATOM 1417 CZ PHE A 196 -1.179 10.422 23.164 1.00 82.52 C +ATOM 1418 N LYS A 197 2.760 11.799 27.752 1.00 95.57 N +ATOM 1419 CA LYS A 197 4.165 11.705 27.366 1.00 95.81 C +ATOM 1420 C LYS A 197 4.503 10.308 26.853 1.00 96.03 C +ATOM 1421 CB LYS A 197 5.071 12.064 28.545 1.00 95.02 C +ATOM 1422 O LYS A 197 4.409 9.329 27.596 1.00 95.76 O +ATOM 1423 CG LYS A 197 6.551 12.120 28.194 1.00 92.93 C +ATOM 1424 CD LYS A 197 7.391 12.564 29.384 1.00 91.73 C +ATOM 1425 CE LYS A 197 8.871 12.630 29.031 1.00 89.06 C +ATOM 1426 NZ LYS A 197 9.699 13.070 30.194 1.00 88.40 N +ATOM 1427 N ALA A 198 4.980 10.216 25.569 1.00 97.02 N +ATOM 1428 CA ALA A 198 5.364 8.961 24.928 1.00 97.19 C +ATOM 1429 C ALA A 198 6.881 8.846 24.811 1.00 97.25 C +ATOM 1430 CB ALA A 198 4.717 8.847 23.550 1.00 96.79 C +ATOM 1431 O ALA A 198 7.552 9.798 24.405 1.00 96.91 O +ATOM 1432 N ARG A 199 7.492 7.669 25.071 1.00 96.60 N +ATOM 1433 CA ARG A 199 8.914 7.414 24.864 1.00 96.63 C +ATOM 1434 C ARG A 199 9.208 7.104 23.400 1.00 96.97 C +ATOM 1435 CB ARG A 199 9.388 6.260 25.750 1.00 95.80 C +ATOM 1436 O ARG A 199 10.302 7.387 22.908 1.00 96.72 O +ATOM 1437 CG ARG A 199 9.334 6.564 27.239 1.00 91.80 C +ATOM 1438 CD ARG A 199 9.872 5.408 28.070 1.00 88.85 C +ATOM 1439 NE ARG A 199 9.924 5.744 29.490 1.00 87.23 N +ATOM 1440 NH1 ARG A 199 10.605 3.644 30.173 1.00 82.71 N +ATOM 1441 NH2 ARG A 199 10.285 5.309 31.717 1.00 80.25 N +ATOM 1442 CZ ARG A 199 10.271 4.898 30.457 1.00 83.85 C +ATOM 1443 N ARG A 200 8.249 6.488 22.729 1.00 97.13 N +ATOM 1444 CA ARG A 200 8.293 6.131 21.315 1.00 97.40 C +ATOM 1445 C ARG A 200 7.049 6.626 20.585 1.00 97.67 C +ATOM 1446 CB ARG A 200 8.431 4.616 21.147 1.00 97.09 C +ATOM 1447 O ARG A 200 5.928 6.441 21.063 1.00 97.59 O +ATOM 1448 CG ARG A 200 9.656 4.029 21.830 1.00 96.03 C +ATOM 1449 CD ARG A 200 9.651 2.507 21.786 1.00 94.76 C +ATOM 1450 NE ARG A 200 10.757 1.943 22.554 1.00 93.47 N +ATOM 1451 NH1 ARG A 200 9.793 2.327 24.618 1.00 89.19 N +ATOM 1452 NH2 ARG A 200 11.856 1.336 24.477 1.00 88.50 N +ATOM 1453 CZ ARG A 200 10.800 1.870 23.881 1.00 92.78 C +ATOM 1454 N VAL A 201 7.234 7.232 19.456 1.00 98.20 N +ATOM 1455 CA VAL A 201 6.151 7.691 18.592 1.00 98.28 C +ATOM 1456 C VAL A 201 6.413 7.247 17.155 1.00 98.39 C +ATOM 1457 CB VAL A 201 5.988 9.227 18.654 1.00 98.14 C +ATOM 1458 O VAL A 201 7.444 7.590 16.571 1.00 98.29 O +ATOM 1459 CG1 VAL A 201 4.816 9.681 17.787 1.00 97.39 C +ATOM 1460 CG2 VAL A 201 5.797 9.684 20.099 1.00 97.44 C +ATOM 1461 N ILE A 202 5.539 6.509 16.596 1.00 98.59 N +ATOM 1462 CA ILE A 202 5.544 6.185 15.174 1.00 98.61 C +ATOM 1463 C ILE A 202 4.409 6.926 14.471 1.00 98.65 C +ATOM 1464 CB ILE A 202 5.415 4.663 14.941 1.00 98.59 C +ATOM 1465 O ILE A 202 3.234 6.619 14.682 1.00 98.56 O +ATOM 1466 CG1 ILE A 202 6.546 3.915 15.656 1.00 98.40 C +ATOM 1467 CG2 ILE A 202 5.409 4.344 13.443 1.00 98.43 C +ATOM 1468 CD1 ILE A 202 6.526 2.408 15.440 1.00 98.09 C +ATOM 1469 N ASN A 203 4.747 7.900 13.649 1.00 98.61 N +ATOM 1470 CA ASN A 203 3.836 8.586 12.739 1.00 98.60 C +ATOM 1471 C ASN A 203 3.562 7.756 11.489 1.00 98.62 C +ATOM 1472 CB ASN A 203 4.393 9.958 12.355 1.00 98.56 C +ATOM 1473 O ASN A 203 4.340 7.790 10.533 1.00 98.47 O +ATOM 1474 CG ASN A 203 3.485 10.710 11.401 1.00 98.18 C +ATOM 1475 ND2 ASN A 203 4.002 11.782 10.812 1.00 97.17 N +ATOM 1476 OD1 ASN A 203 2.329 10.332 11.196 1.00 97.32 O +ATOM 1477 N ALA A 204 2.379 7.055 11.452 1.00 98.69 N +ATOM 1478 CA ALA A 204 1.876 6.205 10.376 1.00 98.68 C +ATOM 1479 C ALA A 204 0.561 6.743 9.821 1.00 98.64 C +ATOM 1480 CB ALA A 204 1.695 4.772 10.871 1.00 98.64 C +ATOM 1481 O ALA A 204 -0.267 5.979 9.319 1.00 98.45 O +ATOM 1482 N ALA A 205 0.366 8.041 9.792 1.00 97.41 N +ATOM 1483 CA ALA A 205 -0.905 8.724 9.560 1.00 97.31 C +ATOM 1484 C ALA A 205 -1.232 8.782 8.070 1.00 97.20 C +ATOM 1485 CB ALA A 205 -0.867 10.132 10.148 1.00 97.14 C +ATOM 1486 O ALA A 205 -2.033 9.613 7.636 1.00 96.61 O +ATOM 1487 N GLY A 206 -0.547 8.034 7.220 1.00 96.83 N +ATOM 1488 CA GLY A 206 -0.830 7.906 5.800 1.00 96.54 C +ATOM 1489 C GLY A 206 -0.759 9.225 5.055 1.00 96.46 C +ATOM 1490 O GLY A 206 0.305 9.843 4.975 1.00 95.26 O +ATOM 1491 N LEU A 207 -1.902 9.705 4.486 1.00 94.73 N +ATOM 1492 CA LEU A 207 -2.043 10.956 3.748 1.00 94.67 C +ATOM 1493 C LEU A 207 -1.657 12.147 4.618 1.00 94.37 C +ATOM 1494 CB LEU A 207 -3.479 11.122 3.243 1.00 94.09 C +ATOM 1495 O LEU A 207 -1.159 13.155 4.112 1.00 93.66 O +ATOM 1496 CG LEU A 207 -3.963 10.089 2.224 1.00 92.37 C +ATOM 1497 CD1 LEU A 207 -5.433 10.322 1.891 1.00 89.46 C +ATOM 1498 CD2 LEU A 207 -3.109 10.141 0.963 1.00 89.23 C +ATOM 1499 N TRP A 208 -1.739 11.992 5.931 1.00 94.24 N +ATOM 1500 CA TRP A 208 -1.635 13.075 6.903 1.00 94.61 C +ATOM 1501 C TRP A 208 -0.279 13.053 7.600 1.00 94.84 C +ATOM 1502 CB TRP A 208 -2.757 12.976 7.940 1.00 93.54 C +ATOM 1503 O TRP A 208 -0.007 13.886 8.468 1.00 94.30 O +ATOM 1504 CG TRP A 208 -4.136 13.049 7.355 1.00 87.07 C +ATOM 1505 CD1 TRP A 208 -4.928 12.000 6.979 1.00 77.87 C +ATOM 1506 CD2 TRP A 208 -4.882 14.237 7.074 1.00 79.21 C +ATOM 1507 CE2 TRP A 208 -6.121 13.833 6.529 1.00 80.73 C +ATOM 1508 CE3 TRP A 208 -4.625 15.605 7.232 1.00 85.71 C +ATOM 1509 NE1 TRP A 208 -6.123 12.465 6.481 1.00 90.13 N +ATOM 1510 CH2 TRP A 208 -6.823 16.082 6.306 1.00 84.21 C +ATOM 1511 CZ2 TRP A 208 -7.101 14.750 6.140 1.00 87.63 C +ATOM 1512 CZ3 TRP A 208 -5.601 16.516 6.845 1.00 85.50 C +ATOM 1513 N ALA A 209 0.630 12.193 7.272 1.00 95.90 N +ATOM 1514 CA ALA A 209 1.908 11.980 7.945 1.00 96.03 C +ATOM 1515 C ALA A 209 2.748 13.254 7.943 1.00 96.01 C +ATOM 1516 CB ALA A 209 2.676 10.840 7.282 1.00 95.92 C +ATOM 1517 O ALA A 209 3.346 13.613 8.961 1.00 95.67 O +ATOM 1518 N PRO A 210 2.803 14.109 6.872 1.00 93.83 N +ATOM 1519 CA PRO A 210 3.537 15.377 6.903 1.00 93.90 C +ATOM 1520 C PRO A 210 2.908 16.399 7.848 1.00 93.73 C +ATOM 1521 CB PRO A 210 3.468 15.860 5.453 1.00 93.33 C +ATOM 1522 O PRO A 210 3.624 17.109 8.559 1.00 93.15 O +ATOM 1523 CG PRO A 210 3.360 14.611 4.639 1.00 92.32 C +ATOM 1524 CD PRO A 210 2.471 13.643 5.365 1.00 91.70 C +ATOM 1525 N GLN A 211 1.616 16.479 7.973 1.00 93.59 N +ATOM 1526 CA GLN A 211 0.915 17.386 8.877 1.00 93.68 C +ATOM 1527 C GLN A 211 1.159 17.007 10.335 1.00 94.25 C +ATOM 1528 CB GLN A 211 -0.585 17.389 8.578 1.00 92.15 C +ATOM 1529 O GLN A 211 1.444 17.870 11.167 1.00 94.00 O +ATOM 1530 CG GLN A 211 -0.945 18.027 7.244 1.00 83.26 C +ATOM 1531 CD GLN A 211 -0.772 17.078 6.073 1.00 78.78 C +ATOM 1532 NE2 GLN A 211 -1.294 17.464 4.914 1.00 72.06 N +ATOM 1533 OE1 GLN A 211 -0.172 16.006 6.209 1.00 77.28 O +ATOM 1534 N VAL A 212 1.059 15.725 10.567 1.00 95.69 N +ATOM 1535 CA VAL A 212 1.383 15.209 11.893 1.00 95.85 C +ATOM 1536 C VAL A 212 2.817 15.584 12.258 1.00 96.02 C +ATOM 1537 CB VAL A 212 1.197 13.676 11.966 1.00 95.79 C +ATOM 1538 O VAL A 212 3.065 16.157 13.321 1.00 95.78 O +ATOM 1539 CG1 VAL A 212 1.847 13.114 13.229 1.00 94.96 C +ATOM 1540 CG2 VAL A 212 -0.287 13.316 11.919 1.00 94.88 C +ATOM 1541 N ALA A 213 3.799 15.382 11.365 1.00 96.15 N +ATOM 1542 CA ALA A 213 5.190 15.760 11.597 1.00 96.07 C +ATOM 1543 C ALA A 213 5.322 17.267 11.802 1.00 95.56 C +ATOM 1544 CB ALA A 213 6.067 15.306 10.432 1.00 95.92 C +ATOM 1545 O ALA A 213 6.029 17.717 12.707 1.00 94.73 O +ATOM 1546 N ALA A 214 4.504 18.110 11.124 1.00 94.22 N +ATOM 1547 CA ALA A 214 4.499 19.568 11.206 1.00 94.16 C +ATOM 1548 C ALA A 214 3.882 20.042 12.519 1.00 93.89 C +ATOM 1549 CB ALA A 214 3.744 20.165 10.021 1.00 93.62 C +ATOM 1550 O ALA A 214 4.203 21.128 13.007 1.00 93.15 O +ATOM 1551 N SER A 215 3.032 19.220 13.174 1.00 95.34 N +ATOM 1552 CA SER A 215 2.362 19.551 14.427 1.00 95.39 C +ATOM 1553 C SER A 215 3.261 19.270 15.626 1.00 95.40 C +ATOM 1554 CB SER A 215 1.057 18.766 14.562 1.00 94.82 C +ATOM 1555 O SER A 215 2.951 19.671 16.750 1.00 94.73 O +ATOM 1556 OG SER A 215 1.317 17.411 14.889 1.00 90.07 O +ATOM 1557 N LEU A 216 4.458 18.585 15.420 1.00 96.04 N +ATOM 1558 CA LEU A 216 5.450 18.314 16.454 1.00 96.03 C +ATOM 1559 C LEU A 216 6.432 19.473 16.584 1.00 95.47 C +ATOM 1560 CB LEU A 216 6.208 17.020 16.143 1.00 95.94 C +ATOM 1561 O LEU A 216 7.385 19.575 15.808 1.00 94.31 O +ATOM 1562 CG LEU A 216 5.362 15.753 16.012 1.00 95.47 C +ATOM 1563 CD1 LEU A 216 6.239 14.568 15.623 1.00 94.04 C +ATOM 1564 CD2 LEU A 216 4.618 15.470 17.313 1.00 93.95 C +ATOM 1565 N ALA A 217 6.222 20.375 17.566 1.00 94.49 N +ATOM 1566 CA ALA A 217 7.131 21.479 17.859 1.00 95.04 C +ATOM 1567 C ALA A 217 8.545 20.970 18.125 1.00 94.40 C +ATOM 1568 CB ALA A 217 6.625 22.283 19.054 1.00 93.51 C +ATOM 1569 O ALA A 217 8.749 20.105 18.980 1.00 93.30 O +ATOM 1570 N GLY A 218 9.549 21.514 17.380 1.00 93.51 N +ATOM 1571 CA GLY A 218 10.943 21.108 17.448 1.00 93.82 C +ATOM 1572 C GLY A 218 11.336 20.135 16.352 1.00 93.93 C +ATOM 1573 O GLY A 218 12.523 19.889 16.129 1.00 93.00 O +ATOM 1574 N PHE A 219 10.406 19.529 15.607 1.00 95.08 N +ATOM 1575 CA PHE A 219 10.742 18.716 14.445 1.00 95.79 C +ATOM 1576 C PHE A 219 11.215 19.591 13.290 1.00 95.08 C +ATOM 1577 CB PHE A 219 9.537 17.876 14.008 1.00 96.10 C +ATOM 1578 O PHE A 219 10.534 20.545 12.908 1.00 94.22 O +ATOM 1579 CG PHE A 219 9.856 16.869 12.937 1.00 96.77 C +ATOM 1580 CD1 PHE A 219 10.561 15.710 13.241 1.00 96.36 C +ATOM 1581 CD2 PHE A 219 9.450 17.080 11.626 1.00 96.36 C +ATOM 1582 CE1 PHE A 219 10.857 14.776 12.251 1.00 95.81 C +ATOM 1583 CE2 PHE A 219 9.743 16.150 10.631 1.00 95.56 C +ATOM 1584 CZ PHE A 219 10.447 15.000 10.946 1.00 95.45 C +ATOM 1585 N PRO A 220 12.400 19.322 12.667 1.00 95.16 N +ATOM 1586 CA PRO A 220 12.916 20.164 11.585 1.00 95.95 C +ATOM 1587 C PRO A 220 12.028 20.139 10.343 1.00 96.08 C +ATOM 1588 CB PRO A 220 14.288 19.553 11.287 1.00 95.48 C +ATOM 1589 O PRO A 220 11.917 19.105 9.679 1.00 96.00 O +ATOM 1590 CG PRO A 220 14.622 18.751 12.503 1.00 95.20 C +ATOM 1591 CD PRO A 220 13.344 18.234 13.099 1.00 95.21 C +ATOM 1592 N ARG A 221 11.469 21.351 9.942 1.00 95.43 N +ATOM 1593 CA ARG A 221 10.519 21.490 8.843 1.00 95.45 C +ATOM 1594 C ARG A 221 11.161 21.111 7.513 1.00 95.22 C +ATOM 1595 CB ARG A 221 9.979 22.920 8.776 1.00 94.24 C +ATOM 1596 O ARG A 221 10.478 20.643 6.599 1.00 94.60 O +ATOM 1597 CG ARG A 221 9.098 23.302 9.955 1.00 89.19 C +ATOM 1598 CD ARG A 221 7.810 22.491 9.983 1.00 85.96 C +ATOM 1599 NE ARG A 221 6.888 22.979 11.004 1.00 86.01 N +ATOM 1600 NH1 ARG A 221 5.158 21.568 10.411 1.00 81.15 N +ATOM 1601 NH2 ARG A 221 4.895 23.044 12.144 1.00 77.27 N +ATOM 1602 CZ ARG A 221 5.649 22.529 11.184 1.00 79.96 C +ATOM 1603 N THR A 222 12.486 21.159 7.406 1.00 96.24 N +ATOM 1604 CA THR A 222 13.260 20.846 6.210 1.00 96.31 C +ATOM 1605 C THR A 222 13.306 19.339 5.975 1.00 95.86 C +ATOM 1606 CB THR A 222 14.694 21.396 6.312 1.00 96.08 C +ATOM 1607 O THR A 222 13.659 18.886 4.884 1.00 95.08 O +ATOM 1608 CG2 THR A 222 14.704 22.920 6.255 1.00 94.70 C +ATOM 1609 OG1 THR A 222 15.275 20.972 7.551 1.00 95.80 O +ATOM 1610 N LEU A 223 12.885 18.522 6.984 1.00 96.71 N +ATOM 1611 CA LEU A 223 12.864 17.067 6.876 1.00 97.02 C +ATOM 1612 C LEU A 223 11.460 16.566 6.557 1.00 96.91 C +ATOM 1613 CB LEU A 223 13.365 16.426 8.173 1.00 96.79 C +ATOM 1614 O LEU A 223 11.248 15.362 6.391 1.00 96.29 O +ATOM 1615 CG LEU A 223 14.816 16.720 8.558 1.00 96.27 C +ATOM 1616 CD1 LEU A 223 15.204 15.930 9.804 1.00 95.02 C +ATOM 1617 CD2 LEU A 223 15.753 16.396 7.400 1.00 94.88 C +ATOM 1618 N ILE A 224 10.480 17.411 6.542 1.00 95.32 N +ATOM 1619 CA ILE A 224 9.146 17.071 6.060 1.00 95.38 C +ATOM 1620 C ILE A 224 9.123 17.110 4.534 1.00 94.82 C +ATOM 1621 CB ILE A 224 8.076 18.025 6.637 1.00 95.16 C +ATOM 1622 O ILE A 224 9.319 18.168 3.931 1.00 93.88 O +ATOM 1623 CG1 ILE A 224 8.141 18.036 8.169 1.00 94.60 C +ATOM 1624 CG2 ILE A 224 6.679 17.627 6.152 1.00 94.37 C +ATOM 1625 CD1 ILE A 224 7.197 19.037 8.821 1.00 93.53 C +ATOM 1626 N PRO A 225 8.966 15.956 3.838 1.00 94.12 N +ATOM 1627 CA PRO A 225 8.893 15.994 2.376 1.00 93.96 C +ATOM 1628 C PRO A 225 7.659 16.735 1.866 1.00 93.25 C +ATOM 1629 CB PRO A 225 8.841 14.514 1.987 1.00 93.77 C +ATOM 1630 O PRO A 225 6.655 16.833 2.577 1.00 92.06 O +ATOM 1631 CG PRO A 225 8.098 13.852 3.102 1.00 93.56 C +ATOM 1632 CD PRO A 225 8.454 14.541 4.388 1.00 93.22 C +ATOM 1633 N ALA A 226 7.784 17.265 0.584 1.00 91.34 N +ATOM 1634 CA ALA A 226 6.567 17.644 -0.129 1.00 90.85 C +ATOM 1635 C ALA A 226 5.568 16.491 -0.159 1.00 90.76 C +ATOM 1636 CB ALA A 226 6.901 18.092 -1.550 1.00 89.68 C +ATOM 1637 O ALA A 226 5.958 15.324 -0.244 1.00 89.81 O +ATOM 1638 N ASN A 227 4.295 16.785 -0.068 1.00 89.68 N +ATOM 1639 CA ASN A 227 3.191 15.831 -0.067 1.00 88.88 C +ATOM 1640 C ASN A 227 2.274 16.033 -1.269 1.00 88.31 C +ATOM 1641 CB ASN A 227 2.392 15.936 1.234 1.00 86.97 C +ATOM 1642 O ASN A 227 1.532 17.015 -1.332 1.00 86.18 O +ATOM 1643 CG ASN A 227 1.446 14.768 1.434 1.00 81.70 C +ATOM 1644 ND2 ASN A 227 0.315 15.025 2.081 1.00 76.43 N +ATOM 1645 OD1 ASN A 227 1.730 13.644 1.012 1.00 77.69 O +ATOM 1646 N PHE A 228 2.381 15.112 -2.126 1.00 91.82 N +ATOM 1647 CA PHE A 228 1.500 15.055 -3.286 1.00 92.27 C +ATOM 1648 C PHE A 228 0.482 13.931 -3.139 1.00 92.13 C +ATOM 1649 CB PHE A 228 2.312 14.863 -4.571 1.00 92.04 C +ATOM 1650 O PHE A 228 0.751 12.925 -2.478 1.00 91.60 O +ATOM 1651 CG PHE A 228 3.364 15.917 -4.787 1.00 92.18 C +ATOM 1652 CD1 PHE A 228 3.056 17.102 -5.444 1.00 91.43 C +ATOM 1653 CD2 PHE A 228 4.662 15.722 -4.334 1.00 91.28 C +ATOM 1654 CE1 PHE A 228 4.028 18.079 -5.646 1.00 90.93 C +ATOM 1655 CE2 PHE A 228 5.639 16.694 -4.531 1.00 90.98 C +ATOM 1656 CZ PHE A 228 5.320 17.871 -5.189 1.00 90.98 C +ATOM 1657 N HIS A 229 -0.647 14.156 -3.696 1.00 93.08 N +ATOM 1658 CA HIS A 229 -1.733 13.182 -3.685 1.00 93.31 C +ATOM 1659 C HIS A 229 -2.084 12.733 -5.100 1.00 93.47 C +ATOM 1660 CB HIS A 229 -2.969 13.764 -2.997 1.00 92.30 C +ATOM 1661 O HIS A 229 -2.296 13.565 -5.985 1.00 92.97 O +ATOM 1662 CG HIS A 229 -2.728 14.176 -1.579 1.00 88.56 C +ATOM 1663 CD2 HIS A 229 -2.701 13.451 -0.436 1.00 83.58 C +ATOM 1664 ND1 HIS A 229 -2.479 15.481 -1.216 1.00 84.20 N +ATOM 1665 CE1 HIS A 229 -2.308 15.542 0.094 1.00 83.55 C +ATOM 1666 NE2 HIS A 229 -2.438 14.324 0.591 1.00 84.09 N +ATOM 1667 N ALA A 230 -2.120 11.439 -5.235 1.00 94.34 N +ATOM 1668 CA ALA A 230 -2.585 10.835 -6.481 1.00 94.53 C +ATOM 1669 C ALA A 230 -3.846 10.007 -6.252 1.00 94.79 C +ATOM 1670 CB ALA A 230 -1.487 9.969 -7.095 1.00 93.69 C +ATOM 1671 O ALA A 230 -3.806 8.981 -5.569 1.00 94.47 O +ATOM 1672 N LYS A 231 -4.941 10.473 -6.726 1.00 95.62 N +ATOM 1673 CA LYS A 231 -6.167 9.686 -6.808 1.00 95.78 C +ATOM 1674 C LYS A 231 -6.074 8.636 -7.912 1.00 95.71 C +ATOM 1675 CB LYS A 231 -7.374 10.595 -7.050 1.00 95.53 C +ATOM 1676 O LYS A 231 -5.598 8.925 -9.011 1.00 95.41 O +ATOM 1677 CG LYS A 231 -8.706 9.861 -7.078 1.00 94.90 C +ATOM 1678 CD LYS A 231 -9.876 10.829 -7.193 1.00 94.00 C +ATOM 1679 CE LYS A 231 -11.181 10.100 -7.481 1.00 93.01 C +ATOM 1680 NZ LYS A 231 -12.263 11.043 -7.894 1.00 90.97 N +ATOM 1681 N GLY A 232 -6.396 7.424 -7.609 1.00 96.56 N +ATOM 1682 CA GLY A 232 -6.601 6.323 -8.537 1.00 96.62 C +ATOM 1683 C GLY A 232 -8.023 5.795 -8.532 1.00 96.84 C +ATOM 1684 O GLY A 232 -8.493 5.272 -7.520 1.00 96.55 O +ATOM 1685 N SER A 233 -8.690 5.878 -9.624 1.00 97.56 N +ATOM 1686 CA SER A 233 -10.045 5.367 -9.802 1.00 97.62 C +ATOM 1687 C SER A 233 -10.031 3.926 -10.299 1.00 97.72 C +ATOM 1688 CB SER A 233 -10.825 6.245 -10.781 1.00 97.29 C +ATOM 1689 O SER A 233 -9.105 3.515 -11.002 1.00 97.58 O +ATOM 1690 OG SER A 233 -10.907 7.578 -10.306 1.00 92.79 O +ATOM 1691 N TYR A 234 -11.107 3.177 -9.902 1.00 97.91 N +ATOM 1692 CA TYR A 234 -11.384 1.817 -10.351 1.00 98.00 C +ATOM 1693 C TYR A 234 -12.781 1.716 -10.951 1.00 98.01 C +ATOM 1694 CB TYR A 234 -11.242 0.828 -9.190 1.00 97.89 C +ATOM 1695 O TYR A 234 -13.730 2.315 -10.439 1.00 97.85 O +ATOM 1696 CG TYR A 234 -9.815 0.611 -8.749 1.00 97.56 C +ATOM 1697 CD1 TYR A 234 -9.089 -0.492 -9.191 1.00 96.93 C +ATOM 1698 CD2 TYR A 234 -9.190 1.509 -7.890 1.00 96.89 C +ATOM 1699 CE1 TYR A 234 -7.774 -0.697 -8.785 1.00 95.90 C +ATOM 1700 CE2 TYR A 234 -7.876 1.314 -7.478 1.00 95.65 C +ATOM 1701 OH TYR A 234 -5.876 0.012 -7.526 1.00 94.25 O +ATOM 1702 CZ TYR A 234 -7.177 0.210 -7.931 1.00 95.34 C +ATOM 1703 N TYR A 235 -12.853 0.919 -11.959 1.00 98.16 N +ATOM 1704 CA TYR A 235 -14.109 0.489 -12.563 1.00 98.22 C +ATOM 1705 C TYR A 235 -14.305 -1.014 -12.405 1.00 98.12 C +ATOM 1706 CB TYR A 235 -14.150 0.868 -14.047 1.00 98.12 C +ATOM 1707 O TYR A 235 -13.372 -1.793 -12.613 1.00 97.90 O +ATOM 1708 CG TYR A 235 -14.284 2.351 -14.291 1.00 97.63 C +ATOM 1709 CD1 TYR A 235 -15.497 2.903 -14.695 1.00 96.73 C +ATOM 1710 CD2 TYR A 235 -13.198 3.203 -14.121 1.00 96.66 C +ATOM 1711 CE1 TYR A 235 -15.625 4.269 -14.924 1.00 95.69 C +ATOM 1712 CE2 TYR A 235 -13.314 4.570 -14.346 1.00 95.25 C +ATOM 1713 OH TYR A 235 -14.651 6.447 -14.972 1.00 93.33 O +ATOM 1714 CZ TYR A 235 -14.530 5.094 -14.747 1.00 95.00 C +ATOM 1715 N ALA A 236 -15.499 -1.403 -12.059 1.00 98.13 N +ATOM 1716 CA ALA A 236 -15.874 -2.811 -11.955 1.00 98.09 C +ATOM 1717 C ALA A 236 -16.457 -3.321 -13.269 1.00 98.07 C +ATOM 1718 CB ALA A 236 -16.873 -3.013 -10.819 1.00 97.65 C +ATOM 1719 O ALA A 236 -17.185 -2.599 -13.955 1.00 97.85 O +ATOM 1720 N LEU A 237 -16.054 -4.531 -13.674 1.00 98.04 N +ATOM 1721 CA LEU A 237 -16.695 -5.239 -14.778 1.00 97.91 C +ATOM 1722 C LEU A 237 -18.106 -5.676 -14.397 1.00 97.39 C +ATOM 1723 CB LEU A 237 -15.865 -6.457 -15.188 1.00 97.65 C +ATOM 1724 O LEU A 237 -18.300 -6.339 -13.375 1.00 96.50 O +ATOM 1725 CG LEU A 237 -16.335 -7.210 -16.434 1.00 96.35 C +ATOM 1726 CD1 LEU A 237 -16.114 -6.360 -17.681 1.00 94.57 C +ATOM 1727 CD2 LEU A 237 -15.611 -8.547 -16.556 1.00 94.42 C +ATOM 1728 N THR A 238 -19.123 -5.265 -15.267 1.00 96.23 N +ATOM 1729 CA THR A 238 -20.464 -5.827 -15.142 1.00 95.02 C +ATOM 1730 C THR A 238 -20.498 -7.263 -15.657 1.00 92.21 C +ATOM 1731 CB THR A 238 -21.499 -4.979 -15.904 1.00 93.04 C +ATOM 1732 O THR A 238 -20.128 -7.525 -16.804 1.00 87.34 O +ATOM 1733 CG2 THR A 238 -21.632 -3.590 -15.290 1.00 82.50 C +ATOM 1734 OG1 THR A 238 -21.086 -4.848 -17.270 1.00 86.83 O +ATOM 1735 N GLY A 239 -20.513 -8.226 -14.772 1.00 93.84 N +ATOM 1736 CA GLY A 239 -20.504 -9.633 -15.139 1.00 93.59 C +ATOM 1737 C GLY A 239 -19.237 -10.352 -14.714 1.00 93.50 C +ATOM 1738 O GLY A 239 -18.455 -9.826 -13.919 1.00 92.46 O +ATOM 1739 N ARG A 240 -19.089 -11.577 -15.253 1.00 94.08 N +ATOM 1740 CA ARG A 240 -17.948 -12.424 -14.919 1.00 94.28 C +ATOM 1741 C ARG A 240 -16.771 -12.146 -15.848 1.00 95.14 C +ATOM 1742 CB ARG A 240 -18.336 -13.902 -14.993 1.00 91.43 C +ATOM 1743 O ARG A 240 -16.934 -12.099 -17.069 1.00 95.12 O +ATOM 1744 CG ARG A 240 -17.256 -14.848 -14.491 1.00 81.12 C +ATOM 1745 CD ARG A 240 -17.737 -16.292 -14.467 1.00 78.70 C +ATOM 1746 NE ARG A 240 -16.684 -17.203 -14.029 1.00 76.66 N +ATOM 1747 NH1 ARG A 240 -17.972 -19.112 -14.218 1.00 74.74 N +ATOM 1748 NH2 ARG A 240 -15.796 -19.257 -13.512 1.00 68.97 N +ATOM 1749 CZ ARG A 240 -16.820 -18.522 -13.921 1.00 69.83 C +ATOM 1750 N THR A 241 -15.672 -12.000 -15.340 1.00 95.29 N +ATOM 1751 CA THR A 241 -14.437 -11.919 -16.112 1.00 95.62 C +ATOM 1752 C THR A 241 -14.043 -13.292 -16.648 1.00 95.64 C +ATOM 1753 CB THR A 241 -13.285 -11.345 -15.266 1.00 94.59 C +ATOM 1754 O THR A 241 -14.268 -14.309 -15.990 1.00 95.22 O +ATOM 1755 CG2 THR A 241 -12.945 -12.269 -14.101 1.00 92.59 C +ATOM 1756 OG1 THR A 241 -12.125 -11.189 -16.092 1.00 92.64 O +ATOM 1757 N PRO A 242 -13.345 -13.344 -17.823 1.00 95.81 N +ATOM 1758 CA PRO A 242 -12.776 -14.613 -18.282 1.00 96.36 C +ATOM 1759 C PRO A 242 -11.433 -14.928 -17.627 1.00 96.45 C +ATOM 1760 CB PRO A 242 -12.611 -14.401 -19.789 1.00 95.65 C +ATOM 1761 O PRO A 242 -10.898 -16.026 -17.804 1.00 96.16 O +ATOM 1762 CG PRO A 242 -12.300 -12.947 -19.939 1.00 95.04 C +ATOM 1763 CD PRO A 242 -13.080 -12.183 -18.908 1.00 94.93 C +ATOM 1764 N PHE A 243 -10.856 -14.017 -16.882 1.00 97.90 N +ATOM 1765 CA PHE A 243 -9.513 -14.152 -16.331 1.00 98.10 C +ATOM 1766 C PHE A 243 -9.560 -14.740 -14.927 1.00 97.97 C +ATOM 1767 CB PHE A 243 -8.801 -12.795 -16.309 1.00 98.07 C +ATOM 1768 O PHE A 243 -10.420 -14.375 -14.123 1.00 97.71 O +ATOM 1769 CG PHE A 243 -8.623 -12.180 -17.670 1.00 97.95 C +ATOM 1770 CD1 PHE A 243 -7.644 -12.649 -18.538 1.00 97.59 C +ATOM 1771 CD2 PHE A 243 -9.435 -11.132 -18.083 1.00 97.63 C +ATOM 1772 CE1 PHE A 243 -7.477 -12.082 -19.799 1.00 96.95 C +ATOM 1773 CE2 PHE A 243 -9.275 -10.560 -19.342 1.00 96.76 C +ATOM 1774 CZ PHE A 243 -8.294 -11.035 -20.198 1.00 96.45 C +ATOM 1775 N SER A 244 -8.622 -15.585 -14.608 1.00 98.32 N +ATOM 1776 CA SER A 244 -8.453 -16.231 -13.311 1.00 98.33 C +ATOM 1777 C SER A 244 -7.257 -15.657 -12.559 1.00 98.28 C +ATOM 1778 CB SER A 244 -8.280 -17.741 -13.483 1.00 98.11 C +ATOM 1779 O SER A 244 -7.052 -15.962 -11.383 1.00 98.02 O +ATOM 1780 OG SER A 244 -7.075 -18.035 -14.168 1.00 96.68 O +ATOM 1781 N ARG A 245 -6.487 -14.783 -13.167 1.00 98.49 N +ATOM 1782 CA ARG A 245 -5.273 -14.148 -12.664 1.00 98.59 C +ATOM 1783 C ARG A 245 -5.342 -12.633 -12.819 1.00 98.61 C +ATOM 1784 CB ARG A 245 -4.041 -14.694 -13.389 1.00 98.49 C +ATOM 1785 O ARG A 245 -6.183 -12.117 -13.559 1.00 98.55 O +ATOM 1786 CG ARG A 245 -3.793 -16.175 -13.154 1.00 98.00 C +ATOM 1787 CD ARG A 245 -2.591 -16.678 -13.941 1.00 97.16 C +ATOM 1788 NE ARG A 245 -2.321 -18.087 -13.670 1.00 96.19 N +ATOM 1789 NH1 ARG A 245 -4.062 -18.883 -14.962 1.00 92.26 N +ATOM 1790 NH2 ARG A 245 -2.692 -20.346 -13.851 1.00 91.70 N +ATOM 1791 CZ ARG A 245 -3.026 -19.102 -14.162 1.00 95.53 C +ATOM 1792 N LEU A 246 -4.438 -11.956 -12.122 1.00 98.50 N +ATOM 1793 CA LEU A 246 -4.229 -10.533 -12.362 1.00 98.55 C +ATOM 1794 C LEU A 246 -3.550 -10.302 -13.708 1.00 98.55 C +ATOM 1795 CB LEU A 246 -3.387 -9.918 -11.241 1.00 98.46 C +ATOM 1796 O LEU A 246 -2.588 -10.994 -14.049 1.00 98.43 O +ATOM 1797 CG LEU A 246 -3.792 -10.281 -9.812 1.00 98.00 C +ATOM 1798 CD1 LEU A 246 -2.884 -9.578 -8.808 1.00 97.04 C +ATOM 1799 CD2 LEU A 246 -5.253 -9.922 -9.562 1.00 97.05 C +ATOM 1800 N VAL A 247 -3.970 -9.343 -14.493 1.00 98.59 N +ATOM 1801 CA VAL A 247 -3.375 -9.005 -15.782 1.00 98.60 C +ATOM 1802 C VAL A 247 -2.969 -7.533 -15.794 1.00 98.53 C +ATOM 1803 CB VAL A 247 -4.343 -9.301 -16.949 1.00 98.49 C +ATOM 1804 O VAL A 247 -3.816 -6.648 -15.650 1.00 98.35 O +ATOM 1805 CG1 VAL A 247 -3.678 -9.001 -18.291 1.00 98.19 C +ATOM 1806 CG2 VAL A 247 -4.816 -10.752 -16.895 1.00 98.20 C +ATOM 1807 N TYR A 248 -1.670 -7.269 -15.900 1.00 98.16 N +ATOM 1808 CA TYR A 248 -1.073 -5.938 -15.923 1.00 98.15 C +ATOM 1809 C TYR A 248 -0.419 -5.657 -17.271 1.00 98.03 C +ATOM 1810 CB TYR A 248 -0.040 -5.792 -14.802 1.00 97.87 C +ATOM 1811 O TYR A 248 0.351 -6.476 -17.777 1.00 97.62 O +ATOM 1812 CG TYR A 248 -0.649 -5.520 -13.448 1.00 96.53 C +ATOM 1813 CD1 TYR A 248 -1.722 -6.276 -12.980 1.00 93.43 C +ATOM 1814 CD2 TYR A 248 -0.155 -4.506 -12.634 1.00 93.34 C +ATOM 1815 CE1 TYR A 248 -2.288 -6.027 -11.733 1.00 92.09 C +ATOM 1816 CE2 TYR A 248 -0.713 -4.248 -11.387 1.00 90.82 C +ATOM 1817 OH TYR A 248 -2.333 -4.762 -9.711 1.00 87.46 O +ATOM 1818 CZ TYR A 248 -1.777 -5.013 -10.945 1.00 91.08 C +ATOM 1819 N PRO A 249 -0.698 -4.488 -17.855 1.00 97.90 N +ATOM 1820 CA PRO A 249 0.213 -4.049 -18.915 1.00 97.86 C +ATOM 1821 C PRO A 249 1.639 -3.832 -18.415 1.00 97.82 C +ATOM 1822 CB PRO A 249 -0.407 -2.732 -19.388 1.00 97.60 C +ATOM 1823 O PRO A 249 1.880 -3.829 -17.205 1.00 97.57 O +ATOM 1824 CG PRO A 249 -1.029 -2.141 -18.164 1.00 96.68 C +ATOM 1825 CD PRO A 249 -1.562 -3.257 -17.314 1.00 95.79 C +ATOM 1826 N LEU A 250 2.615 -3.686 -19.329 1.00 97.53 N +ATOM 1827 CA LEU A 250 3.932 -3.186 -18.949 1.00 97.29 C +ATOM 1828 C LEU A 250 3.842 -1.753 -18.435 1.00 96.60 C +ATOM 1829 CB LEU A 250 4.895 -3.255 -20.138 1.00 96.67 C +ATOM 1830 O LEU A 250 3.183 -0.910 -19.048 1.00 95.46 O +ATOM 1831 CG LEU A 250 5.544 -4.613 -20.406 1.00 92.26 C +ATOM 1832 CD1 LEU A 250 6.171 -4.635 -21.797 1.00 85.85 C +ATOM 1833 CD2 LEU A 250 6.587 -4.928 -19.339 1.00 84.91 C +ATOM 1834 N PRO A 251 4.522 -1.513 -17.259 1.00 95.17 N +ATOM 1835 CA PRO A 251 4.513 -0.133 -16.767 1.00 94.87 C +ATOM 1836 C PRO A 251 4.995 0.870 -17.813 1.00 94.12 C +ATOM 1837 CB PRO A 251 5.470 -0.178 -15.572 1.00 93.96 C +ATOM 1838 O PRO A 251 5.994 0.625 -18.494 1.00 92.86 O +ATOM 1839 CG PRO A 251 5.451 -1.603 -15.122 1.00 92.25 C +ATOM 1840 CD PRO A 251 5.308 -2.484 -16.330 1.00 92.21 C +ATOM 1841 N GLU A 252 4.391 2.076 -17.827 1.00 92.46 N +ATOM 1842 CA GLU A 252 4.756 3.241 -18.628 1.00 91.63 C +ATOM 1843 C GLU A 252 5.221 4.395 -17.745 1.00 89.52 C +ATOM 1844 CB GLU A 252 3.577 3.686 -19.498 1.00 89.90 C +ATOM 1845 O GLU A 252 5.227 4.280 -16.517 1.00 86.33 O +ATOM 1846 CG GLU A 252 3.128 2.640 -20.507 1.00 84.95 C +ATOM 1847 CD GLU A 252 2.101 3.164 -21.498 1.00 81.59 C +ATOM 1848 OE1 GLU A 252 1.538 4.259 -21.267 1.00 82.05 O +ATOM 1849 OE2 GLU A 252 1.857 2.475 -22.514 1.00 81.90 O +ATOM 1850 N ALA A 253 5.814 5.534 -18.299 1.00 85.99 N +ATOM 1851 CA ALA A 253 6.480 6.623 -17.590 1.00 85.05 C +ATOM 1852 C ALA A 253 5.539 7.281 -16.585 1.00 81.71 C +ATOM 1853 CB ALA A 253 7.006 7.659 -18.580 1.00 82.24 C +ATOM 1854 O ALA A 253 5.987 7.906 -15.622 1.00 75.11 O +ATOM 1855 N GLY A 254 4.399 6.792 -16.282 1.00 81.53 N +ATOM 1856 CA GLY A 254 3.428 7.429 -15.406 1.00 81.72 C +ATOM 1857 C GLY A 254 2.804 6.469 -14.411 1.00 82.32 C +ATOM 1858 O GLY A 254 2.065 6.888 -13.517 1.00 80.40 O +ATOM 1859 N GLY A 255 3.164 5.205 -14.563 1.00 86.86 N +ATOM 1860 CA GLY A 255 2.531 4.259 -13.658 1.00 88.96 C +ATOM 1861 C GLY A 255 2.473 2.849 -14.215 1.00 90.62 C +ATOM 1862 O GLY A 255 3.167 2.529 -15.182 1.00 90.11 O +ATOM 1863 N LEU A 256 1.590 2.116 -13.640 1.00 89.09 N +ATOM 1864 CA LEU A 256 1.472 0.705 -13.991 1.00 91.40 C +ATOM 1865 C LEU A 256 0.440 0.503 -15.095 1.00 91.72 C +ATOM 1866 CB LEU A 256 1.091 -0.123 -12.761 1.00 88.66 C +ATOM 1867 O LEU A 256 0.187 -0.628 -15.515 1.00 90.95 O +ATOM 1868 CG LEU A 256 2.126 -0.185 -11.637 1.00 85.57 C +ATOM 1869 CD1 LEU A 256 1.587 -0.996 -10.464 1.00 80.87 C +ATOM 1870 CD2 LEU A 256 3.435 -0.779 -12.148 1.00 82.07 C +ATOM 1871 N GLY A 257 -0.171 1.595 -15.559 1.00 90.30 N +ATOM 1872 CA GLY A 257 -1.298 1.544 -16.477 1.00 92.61 C +ATOM 1873 C GLY A 257 -2.553 0.966 -15.850 1.00 93.71 C +ATOM 1874 O GLY A 257 -2.514 0.457 -14.728 1.00 93.52 O +ATOM 1875 N VAL A 258 -3.732 1.069 -16.633 1.00 96.85 N +ATOM 1876 CA VAL A 258 -4.984 0.465 -16.190 1.00 97.25 C +ATOM 1877 C VAL A 258 -4.896 -1.055 -16.312 1.00 97.27 C +ATOM 1878 CB VAL A 258 -6.188 0.995 -17.001 1.00 96.65 C +ATOM 1879 O VAL A 258 -4.816 -1.592 -17.419 1.00 96.93 O +ATOM 1880 CG1 VAL A 258 -7.486 0.338 -16.533 1.00 94.64 C +ATOM 1881 CG2 VAL A 258 -6.282 2.515 -16.882 1.00 94.51 C +ATOM 1882 N HIS A 259 -4.853 -1.756 -15.142 1.00 97.87 N +ATOM 1883 CA HIS A 259 -4.653 -3.199 -15.071 1.00 97.95 C +ATOM 1884 C HIS A 259 -5.863 -3.894 -14.457 1.00 98.05 C +ATOM 1885 CB HIS A 259 -3.394 -3.526 -14.265 1.00 97.35 C +ATOM 1886 O HIS A 259 -6.665 -3.259 -13.767 1.00 97.83 O +ATOM 1887 CG HIS A 259 -3.385 -2.925 -12.896 1.00 92.25 C +ATOM 1888 CD2 HIS A 259 -3.994 -3.313 -11.751 1.00 83.60 C +ATOM 1889 ND1 HIS A 259 -2.685 -1.778 -12.592 1.00 83.53 N +ATOM 1890 CE1 HIS A 259 -2.864 -1.486 -11.314 1.00 79.39 C +ATOM 1891 NE2 HIS A 259 -3.654 -2.401 -10.781 1.00 81.47 N +ATOM 1892 N LEU A 260 -6.056 -5.173 -14.723 1.00 98.19 N +ATOM 1893 CA LEU A 260 -7.085 -6.033 -14.147 1.00 98.26 C +ATOM 1894 C LEU A 260 -6.655 -6.552 -12.779 1.00 98.25 C +ATOM 1895 CB LEU A 260 -7.385 -7.209 -15.080 1.00 97.95 C +ATOM 1896 O LEU A 260 -5.616 -7.204 -12.656 1.00 98.05 O +ATOM 1897 CG LEU A 260 -8.470 -8.182 -14.616 1.00 95.36 C +ATOM 1898 CD1 LEU A 260 -9.182 -8.794 -15.818 1.00 90.14 C +ATOM 1899 CD2 LEU A 260 -7.870 -9.270 -13.733 1.00 90.45 C +ATOM 1900 N THR A 261 -7.485 -6.345 -11.714 1.00 98.28 N +ATOM 1901 CA THR A 261 -7.431 -6.995 -10.410 1.00 98.22 C +ATOM 1902 C THR A 261 -8.682 -7.838 -10.173 1.00 98.12 C +ATOM 1903 CB THR A 261 -7.283 -5.963 -9.277 1.00 97.71 C +ATOM 1904 O THR A 261 -9.731 -7.580 -10.766 1.00 97.78 O +ATOM 1905 CG2 THR A 261 -5.985 -5.174 -9.418 1.00 90.12 C +ATOM 1906 OG1 THR A 261 -8.389 -5.054 -9.318 1.00 89.62 O +ATOM 1907 N LEU A 262 -8.564 -8.845 -9.352 1.00 97.85 N +ATOM 1908 CA LEU A 262 -9.633 -9.694 -8.837 1.00 97.81 C +ATOM 1909 C LEU A 262 -9.795 -9.510 -7.332 1.00 97.24 C +ATOM 1910 CB LEU A 262 -9.351 -11.164 -9.156 1.00 97.69 C +ATOM 1911 O LEU A 262 -8.813 -9.293 -6.619 1.00 96.51 O +ATOM 1912 CG LEU A 262 -9.157 -11.513 -10.632 1.00 97.31 C +ATOM 1913 CD1 LEU A 262 -8.727 -12.968 -10.781 1.00 96.56 C +ATOM 1914 CD2 LEU A 262 -10.436 -11.245 -11.418 1.00 96.40 C +ATOM 1915 N ASP A 263 -10.998 -9.501 -6.864 1.00 97.15 N +ATOM 1916 CA ASP A 263 -11.232 -9.695 -5.436 1.00 97.22 C +ATOM 1917 C ASP A 263 -11.391 -11.176 -5.102 1.00 97.32 C +ATOM 1918 CB ASP A 263 -12.470 -8.918 -4.985 1.00 96.66 C +ATOM 1919 O ASP A 263 -11.369 -12.025 -5.995 1.00 97.07 O +ATOM 1920 CG ASP A 263 -13.756 -9.441 -5.600 1.00 94.45 C +ATOM 1921 OD1 ASP A 263 -13.785 -10.605 -6.055 1.00 93.58 O +ATOM 1922 OD2 ASP A 263 -14.748 -8.682 -5.634 1.00 92.63 O +ATOM 1923 N LEU A 264 -11.592 -11.564 -3.841 1.00 97.74 N +ATOM 1924 CA LEU A 264 -11.645 -12.947 -3.382 1.00 97.69 C +ATOM 1925 C LEU A 264 -12.925 -13.628 -3.853 1.00 97.09 C +ATOM 1926 CB LEU A 264 -11.552 -13.009 -1.855 1.00 97.60 C +ATOM 1927 O LEU A 264 -13.015 -14.858 -3.855 1.00 95.97 O +ATOM 1928 CG LEU A 264 -10.186 -12.690 -1.245 1.00 97.39 C +ATOM 1929 CD1 LEU A 264 -10.292 -12.603 0.274 1.00 96.73 C +ATOM 1930 CD2 LEU A 264 -9.159 -13.740 -1.656 1.00 96.53 C +ATOM 1931 N GLY A 265 -13.866 -12.914 -4.294 1.00 96.01 N +ATOM 1932 CA GLY A 265 -15.083 -13.419 -4.909 1.00 95.88 C +ATOM 1933 C GLY A 265 -14.966 -13.592 -6.411 1.00 95.67 C +ATOM 1934 O GLY A 265 -15.904 -14.054 -7.064 1.00 94.95 O +ATOM 1935 N GLY A 266 -13.883 -13.155 -7.030 1.00 95.63 N +ATOM 1936 CA GLY A 266 -13.617 -13.236 -8.458 1.00 95.74 C +ATOM 1937 C GLY A 266 -14.191 -12.069 -9.239 1.00 95.42 C +ATOM 1938 O GLY A 266 -14.208 -12.089 -10.471 1.00 94.64 O +ATOM 1939 N GLN A 267 -14.722 -11.070 -8.590 1.00 96.61 N +ATOM 1940 CA GLN A 267 -15.139 -9.852 -9.277 1.00 96.64 C +ATOM 1941 C GLN A 267 -13.934 -9.078 -9.804 1.00 97.09 C +ATOM 1942 CB GLN A 267 -15.965 -8.966 -8.344 1.00 95.25 C +ATOM 1943 O GLN A 267 -13.032 -8.728 -9.041 1.00 96.87 O +ATOM 1944 CG GLN A 267 -16.419 -7.659 -8.981 1.00 85.67 C +ATOM 1945 CD GLN A 267 -17.301 -7.873 -10.196 1.00 79.69 C +ATOM 1946 NE2 GLN A 267 -16.870 -7.353 -11.341 1.00 74.19 N +ATOM 1947 OE1 GLN A 267 -18.360 -8.502 -10.108 1.00 80.34 O +ATOM 1948 N ALA A 268 -13.985 -8.793 -11.104 1.00 97.91 N +ATOM 1949 CA ALA A 268 -12.936 -8.041 -11.787 1.00 97.99 C +ATOM 1950 C ALA A 268 -13.126 -6.539 -11.597 1.00 98.04 C +ATOM 1951 CB ALA A 268 -12.916 -8.388 -13.274 1.00 97.55 C +ATOM 1952 O ALA A 268 -14.233 -6.021 -11.760 1.00 97.86 O +ATOM 1953 N ARG A 269 -12.014 -5.888 -11.351 1.00 98.22 N +ATOM 1954 CA ARG A 269 -11.884 -4.435 -11.334 1.00 98.26 C +ATOM 1955 C ARG A 269 -10.699 -3.981 -12.180 1.00 98.32 C +ATOM 1956 CB ARG A 269 -11.730 -3.925 -9.900 1.00 97.80 C +ATOM 1957 O ARG A 269 -9.679 -4.670 -12.249 1.00 98.19 O +ATOM 1958 CG ARG A 269 -12.915 -4.244 -9.002 1.00 92.83 C +ATOM 1959 CD ARG A 269 -12.671 -3.799 -7.567 1.00 87.85 C +ATOM 1960 NE ARG A 269 -13.672 -4.346 -6.655 1.00 86.05 N +ATOM 1961 NH1 ARG A 269 -12.356 -4.156 -4.766 1.00 78.38 N +ATOM 1962 NH2 ARG A 269 -14.477 -5.011 -4.610 1.00 73.33 N +ATOM 1963 CZ ARG A 269 -13.499 -4.503 -5.346 1.00 79.37 C +ATOM 1964 N PHE A 270 -10.821 -2.864 -12.751 1.00 98.13 N +ATOM 1965 CA PHE A 270 -9.802 -2.272 -13.611 1.00 98.17 C +ATOM 1966 C PHE A 270 -9.373 -0.909 -13.081 1.00 97.88 C +ATOM 1967 CB PHE A 270 -10.320 -2.138 -15.046 1.00 98.12 C +ATOM 1968 O PHE A 270 -10.213 -0.044 -12.825 1.00 97.35 O +ATOM 1969 CG PHE A 270 -10.712 -3.448 -15.675 1.00 97.88 C +ATOM 1970 CD1 PHE A 270 -9.764 -4.241 -16.309 1.00 97.29 C +ATOM 1971 CD2 PHE A 270 -12.029 -3.885 -15.632 1.00 97.25 C +ATOM 1972 CE1 PHE A 270 -10.123 -5.454 -16.892 1.00 96.35 C +ATOM 1973 CE2 PHE A 270 -12.396 -5.096 -16.212 1.00 96.20 C +ATOM 1974 CZ PHE A 270 -11.442 -5.879 -16.842 1.00 96.06 C +ATOM 1975 N GLY A 271 -8.107 -0.776 -12.782 1.00 97.68 N +ATOM 1976 CA GLY A 271 -7.476 0.428 -12.265 1.00 97.62 C +ATOM 1977 C GLY A 271 -6.112 0.171 -11.653 1.00 97.20 C +ATOM 1978 O GLY A 271 -5.523 -0.891 -11.861 1.00 95.99 O +ATOM 1979 N PRO A 272 -5.530 1.048 -10.903 1.00 96.95 N +ATOM 1980 CA PRO A 272 -5.969 2.445 -10.914 1.00 97.08 C +ATOM 1981 C PRO A 272 -5.480 3.208 -12.143 1.00 96.63 C +ATOM 1982 CB PRO A 272 -5.354 3.018 -9.635 1.00 96.63 C +ATOM 1983 O PRO A 272 -4.398 2.921 -12.661 1.00 95.82 O +ATOM 1984 CG PRO A 272 -4.060 2.289 -9.473 1.00 95.67 C +ATOM 1985 CD PRO A 272 -4.228 0.895 -10.006 1.00 94.32 C +ATOM 1986 N ASP A 273 -6.220 4.247 -12.603 1.00 96.69 N +ATOM 1987 CA ASP A 273 -5.630 5.373 -13.321 1.00 96.42 C +ATOM 1988 C ASP A 273 -4.816 6.258 -12.379 1.00 95.91 C +ATOM 1989 CB ASP A 273 -6.718 6.199 -14.010 1.00 96.09 C +ATOM 1990 O ASP A 273 -4.581 5.895 -11.225 1.00 94.78 O +ATOM 1991 CG ASP A 273 -7.625 6.922 -13.030 1.00 94.95 C +ATOM 1992 OD1 ASP A 273 -7.541 6.657 -11.811 1.00 93.01 O +ATOM 1993 OD2 ASP A 273 -8.434 7.762 -13.481 1.00 92.50 O +ATOM 1994 N VAL A 274 -4.265 7.383 -12.846 1.00 94.89 N +ATOM 1995 CA VAL A 274 -3.579 8.359 -12.005 1.00 94.83 C +ATOM 1996 C VAL A 274 -4.103 9.761 -12.307 1.00 94.46 C +ATOM 1997 CB VAL A 274 -2.048 8.306 -12.209 1.00 93.55 C +ATOM 1998 O VAL A 274 -3.818 10.322 -13.367 1.00 93.39 O +ATOM 1999 CG1 VAL A 274 -1.346 9.299 -11.283 1.00 89.77 C +ATOM 2000 CG2 VAL A 274 -1.527 6.890 -11.972 1.00 89.91 C +ATOM 2001 N GLU A 275 -4.804 10.286 -11.352 1.00 94.74 N +ATOM 2002 CA GLU A 275 -5.215 11.684 -11.264 1.00 94.97 C +ATOM 2003 C GLU A 275 -4.485 12.403 -10.133 1.00 94.94 C +ATOM 2004 CB GLU A 275 -6.729 11.788 -11.063 1.00 94.53 C +ATOM 2005 O GLU A 275 -4.718 12.118 -8.956 1.00 94.45 O +ATOM 2006 CG GLU A 275 -7.250 13.218 -11.045 1.00 92.57 C +ATOM 2007 CD GLU A 275 -8.730 13.313 -10.709 1.00 89.49 C +ATOM 2008 OE1 GLU A 275 -9.363 12.263 -10.455 1.00 90.06 O +ATOM 2009 OE2 GLU A 275 -9.260 14.446 -10.702 1.00 89.46 O +ATOM 2010 N TRP A 276 -3.599 13.295 -10.548 1.00 93.11 N +ATOM 2011 CA TRP A 276 -2.958 14.147 -9.552 1.00 93.71 C +ATOM 2012 C TRP A 276 -3.930 15.198 -9.028 1.00 92.65 C +ATOM 2013 CB TRP A 276 -1.720 14.827 -10.143 1.00 93.12 C +ATOM 2014 O TRP A 276 -4.529 15.943 -9.808 1.00 91.10 O +ATOM 2015 CG TRP A 276 -0.588 13.887 -10.431 1.00 91.66 C +ATOM 2016 CD1 TRP A 276 -0.287 13.302 -11.630 1.00 89.22 C +ATOM 2017 CD2 TRP A 276 0.393 13.420 -9.499 1.00 89.89 C +ATOM 2018 CE2 TRP A 276 1.259 12.554 -10.203 1.00 90.88 C +ATOM 2019 CE3 TRP A 276 0.624 13.651 -8.137 1.00 91.87 C +ATOM 2020 NE1 TRP A 276 0.822 12.499 -11.499 1.00 91.52 N +ATOM 2021 CH2 TRP A 276 2.544 12.161 -8.254 1.00 89.99 C +ATOM 2022 CZ2 TRP A 276 2.340 11.918 -9.588 1.00 90.54 C +ATOM 2023 CZ3 TRP A 276 1.701 13.017 -7.527 1.00 90.82 C +ATOM 2024 N LEU A 277 -4.105 15.191 -7.744 1.00 92.50 N +ATOM 2025 CA LEU A 277 -4.935 16.206 -7.104 1.00 92.09 C +ATOM 2026 C LEU A 277 -4.184 17.528 -6.988 1.00 90.75 C +ATOM 2027 CB LEU A 277 -5.382 15.737 -5.717 1.00 91.71 C +ATOM 2028 O LEU A 277 -2.958 17.541 -6.853 1.00 88.91 O +ATOM 2029 CG LEU A 277 -6.150 14.416 -5.663 1.00 90.83 C +ATOM 2030 CD1 LEU A 277 -6.565 14.101 -4.229 1.00 88.73 C +ATOM 2031 CD2 LEU A 277 -7.369 14.468 -6.578 1.00 88.41 C +ATOM 2032 N PRO A 278 -4.921 18.655 -7.229 1.00 87.12 N +ATOM 2033 CA PRO A 278 -4.256 19.929 -6.948 1.00 86.39 C +ATOM 2034 C PRO A 278 -3.502 19.921 -5.620 1.00 86.03 C +ATOM 2035 CB PRO A 278 -5.414 20.930 -6.912 1.00 85.04 C +ATOM 2036 O PRO A 278 -4.008 19.403 -4.622 1.00 84.19 O +ATOM 2037 CG PRO A 278 -6.514 20.271 -7.679 1.00 83.74 C +ATOM 2038 CD PRO A 278 -6.432 18.789 -7.450 1.00 84.72 C +ATOM 2039 N ASP A 279 -2.253 20.370 -5.635 1.00 79.75 N +ATOM 2040 CA ASP A 279 -1.463 20.487 -4.413 1.00 78.33 C +ATOM 2041 C ASP A 279 -2.248 21.205 -3.318 1.00 79.17 C +ATOM 2042 CB ASP A 279 -0.151 21.224 -4.691 1.00 73.17 C +ATOM 2043 O ASP A 279 -2.714 22.329 -3.517 1.00 73.86 O +ATOM 2044 CG ASP A 279 0.849 20.384 -5.466 1.00 67.07 C +ATOM 2045 OD1 ASP A 279 0.810 19.139 -5.362 1.00 61.86 O +ATOM 2046 OD2 ASP A 279 1.686 20.973 -6.184 1.00 64.30 O +ATOM 2047 N PRO A 280 -2.532 20.414 -2.379 1.00 72.90 N +ATOM 2048 CA PRO A 280 -2.944 21.301 -1.288 1.00 71.90 C +ATOM 2049 C PRO A 280 -1.882 22.342 -0.941 1.00 73.53 C +ATOM 2050 CB PRO A 280 -3.170 20.340 -0.118 1.00 68.91 C +ATOM 2051 O PRO A 280 -0.685 22.079 -1.083 1.00 70.00 O +ATOM 2052 CG PRO A 280 -2.234 19.203 -0.372 1.00 70.34 C +ATOM 2053 CD PRO A 280 -2.070 19.042 -1.856 1.00 72.93 C +ATOM 2054 N THR A 281 -2.346 23.570 -0.779 1.00 73.20 N +ATOM 2055 CA THR A 281 -1.395 24.520 -0.212 1.00 73.02 C +ATOM 2056 C THR A 281 -0.457 23.826 0.770 1.00 72.96 C +ATOM 2057 CB THR A 281 -2.120 25.679 0.497 1.00 69.50 C +ATOM 2058 O THR A 281 -0.907 23.101 1.660 1.00 70.42 O +ATOM 2059 CG2 THR A 281 -1.140 26.777 0.898 1.00 65.68 C +ATOM 2060 OG1 THR A 281 -3.103 26.232 -0.387 1.00 69.33 O +ATOM 2061 N PRO A 282 0.883 23.851 0.391 1.00 66.59 N +ATOM 2062 CA PRO A 282 1.802 23.171 1.307 1.00 66.40 C +ATOM 2063 C PRO A 282 1.391 23.316 2.771 1.00 66.88 C +ATOM 2064 CB PRO A 282 3.140 23.866 1.044 1.00 63.21 C +ATOM 2065 O PRO A 282 1.341 24.432 3.294 1.00 65.20 O +ATOM 2066 CG PRO A 282 3.056 24.332 -0.374 1.00 61.86 C +ATOM 2067 CD PRO A 282 1.649 24.780 -0.646 1.00 62.43 C +ATOM 2068 N GLY A 283 1.053 22.176 3.325 1.00 63.38 N +ATOM 2069 CA GLY A 283 0.688 22.112 4.731 1.00 63.02 C +ATOM 2070 C GLY A 283 -0.811 22.127 4.959 1.00 63.63 C +ATOM 2071 O GLY A 283 -1.273 22.001 6.095 1.00 62.40 O +ATOM 2072 N GLN A 284 -1.624 22.211 3.962 1.00 71.63 N +ATOM 2073 CA GLN A 284 -3.058 22.056 4.180 1.00 70.64 C +ATOM 2074 C GLN A 284 -3.510 20.630 3.878 1.00 70.62 C +ATOM 2075 CB GLN A 284 -3.843 23.049 3.321 1.00 67.34 C +ATOM 2076 O GLN A 284 -3.156 20.068 2.840 1.00 68.09 O +ATOM 2077 CG GLN A 284 -3.703 24.496 3.771 1.00 64.52 C +ATOM 2078 CD GLN A 284 -4.696 25.421 3.091 1.00 63.75 C +ATOM 2079 NE2 GLN A 284 -4.927 26.585 3.689 1.00 59.54 N +ATOM 2080 OE1 GLN A 284 -5.249 25.092 2.037 1.00 63.79 O +ATOM 2081 N PRO A 285 -4.147 20.070 4.747 1.00 70.63 N +ATOM 2082 CA PRO A 285 -4.769 18.781 4.436 1.00 70.33 C +ATOM 2083 C PRO A 285 -5.782 18.874 3.297 1.00 72.38 C +ATOM 2084 CB PRO A 285 -5.457 18.395 5.748 1.00 67.58 C +ATOM 2085 O PRO A 285 -6.379 19.932 3.082 1.00 71.30 O +ATOM 2086 CG PRO A 285 -5.758 19.697 6.418 1.00 66.07 C +ATOM 2087 CD PRO A 285 -4.725 20.702 5.996 1.00 66.33 C +ATOM 2088 N ILE A 286 -5.923 17.653 2.646 1.00 79.10 N +ATOM 2089 CA ILE A 286 -7.195 17.441 1.964 1.00 80.53 C +ATOM 2090 C ILE A 286 -8.294 17.177 2.991 1.00 82.13 C +ATOM 2091 CB ILE A 286 -7.109 16.271 0.959 1.00 76.47 C +ATOM 2092 O ILE A 286 -8.396 16.073 3.530 1.00 80.21 O +ATOM 2093 CG1 ILE A 286 -5.967 16.505 -0.037 1.00 71.82 C +ATOM 2094 CG2 ILE A 286 -8.442 16.086 0.229 1.00 72.01 C +ATOM 2095 CD1 ILE A 286 -5.698 15.324 -0.959 1.00 68.73 C +ATOM 2096 N ASP A 287 -8.988 18.207 3.476 1.00 79.86 N +ATOM 2097 CA ASP A 287 -9.926 18.104 4.589 1.00 79.57 C +ATOM 2098 C ASP A 287 -10.929 16.975 4.360 1.00 80.38 C +ATOM 2099 CB ASP A 287 -10.663 19.428 4.795 1.00 76.59 C +ATOM 2100 O ASP A 287 -11.182 16.171 5.260 1.00 78.09 O +ATOM 2101 CG ASP A 287 -9.774 20.520 5.365 1.00 71.81 C +ATOM 2102 OD1 ASP A 287 -8.840 20.206 6.134 1.00 69.64 O +ATOM 2103 OD2 ASP A 287 -10.012 21.704 5.045 1.00 70.64 O +ATOM 2104 N GLU A 288 -11.369 16.787 3.170 1.00 85.71 N +ATOM 2105 CA GLU A 288 -12.287 15.730 2.756 1.00 86.54 C +ATOM 2106 C GLU A 288 -11.953 15.227 1.354 1.00 87.94 C +ATOM 2107 CB GLU A 288 -13.735 16.226 2.805 1.00 83.44 C +ATOM 2108 O GLU A 288 -12.435 15.775 0.361 1.00 86.96 O +ATOM 2109 CG GLU A 288 -14.233 16.532 4.210 1.00 78.03 C +ATOM 2110 CD GLU A 288 -15.712 16.881 4.260 1.00 75.95 C +ATOM 2111 OE1 GLU A 288 -16.379 16.849 3.201 1.00 76.30 O +ATOM 2112 OE2 GLU A 288 -16.207 17.190 5.367 1.00 73.44 O +ATOM 2113 N PRO A 289 -11.038 14.210 1.334 1.00 89.21 N +ATOM 2114 CA PRO A 289 -10.673 13.699 0.011 1.00 90.20 C +ATOM 2115 C PRO A 289 -11.885 13.256 -0.806 1.00 90.97 C +ATOM 2116 CB PRO A 289 -9.765 12.509 0.330 1.00 88.29 C +ATOM 2117 O PRO A 289 -12.665 12.415 -0.352 1.00 90.46 O +ATOM 2118 CG PRO A 289 -9.272 12.766 1.718 1.00 85.38 C +ATOM 2119 CD PRO A 289 -10.335 13.513 2.471 1.00 85.51 C +ATOM 2120 N ASP A 290 -12.085 13.815 -1.980 1.00 91.26 N +ATOM 2121 CA ASP A 290 -13.123 13.350 -2.895 1.00 92.51 C +ATOM 2122 C ASP A 290 -12.756 11.997 -3.501 1.00 93.36 C +ATOM 2123 CB ASP A 290 -13.361 14.376 -4.004 1.00 91.60 C +ATOM 2124 O ASP A 290 -11.904 11.920 -4.388 1.00 93.35 O +ATOM 2125 CG ASP A 290 -14.473 13.974 -4.957 1.00 90.61 C +ATOM 2126 OD1 ASP A 290 -15.153 12.956 -4.705 1.00 90.88 O +ATOM 2127 OD2 ASP A 290 -14.669 14.679 -5.970 1.00 89.82 O +ATOM 2128 N TYR A 291 -13.446 10.991 -3.131 1.00 94.61 N +ATOM 2129 CA TYR A 291 -13.219 9.618 -3.568 1.00 95.39 C +ATOM 2130 C TYR A 291 -14.217 9.217 -4.648 1.00 95.25 C +ATOM 2131 CB TYR A 291 -13.316 8.653 -2.383 1.00 94.81 C +ATOM 2132 O TYR A 291 -14.347 8.035 -4.974 1.00 94.52 O +ATOM 2133 CG TYR A 291 -12.213 8.825 -1.368 1.00 94.69 C +ATOM 2134 CD1 TYR A 291 -10.912 8.409 -1.646 1.00 93.14 C +ATOM 2135 CD2 TYR A 291 -12.468 9.403 -0.129 1.00 93.16 C +ATOM 2136 CE1 TYR A 291 -9.893 8.564 -0.713 1.00 92.54 C +ATOM 2137 CE2 TYR A 291 -11.456 9.562 0.812 1.00 92.36 C +ATOM 2138 OH TYR A 291 -9.168 9.297 1.439 1.00 90.51 O +ATOM 2139 CZ TYR A 291 -10.173 9.141 0.511 1.00 91.90 C +ATOM 2140 N ARG A 292 -14.993 10.085 -5.173 1.00 96.61 N +ATOM 2141 CA ARG A 292 -15.926 9.792 -6.256 1.00 97.08 C +ATOM 2142 C ARG A 292 -15.182 9.433 -7.538 1.00 97.30 C +ATOM 2143 CB ARG A 292 -16.852 10.985 -6.505 1.00 96.55 C +ATOM 2144 O ARG A 292 -14.182 10.067 -7.880 1.00 97.34 O +ATOM 2145 CG ARG A 292 -17.770 11.306 -5.337 1.00 94.06 C +ATOM 2146 CD ARG A 292 -18.597 12.557 -5.597 1.00 92.48 C +ATOM 2147 NE ARG A 292 -17.755 13.744 -5.722 1.00 91.38 N +ATOM 2148 NH1 ARG A 292 -19.447 15.117 -6.490 1.00 87.12 N +ATOM 2149 NH2 ARG A 292 -17.326 15.945 -6.219 1.00 84.92 N +ATOM 2150 CZ ARG A 292 -18.178 14.932 -6.143 1.00 87.45 C +ATOM 2151 N VAL A 293 -15.606 8.458 -8.231 1.00 97.74 N +ATOM 2152 CA VAL A 293 -15.111 8.071 -9.548 1.00 97.84 C +ATOM 2153 C VAL A 293 -15.871 8.835 -10.630 1.00 97.61 C +ATOM 2154 CB VAL A 293 -15.241 6.549 -9.779 1.00 97.54 C +ATOM 2155 O VAL A 293 -17.104 8.815 -10.664 1.00 97.19 O +ATOM 2156 CG1 VAL A 293 -14.671 6.159 -11.141 1.00 96.64 C +ATOM 2157 CG2 VAL A 293 -14.539 5.779 -8.662 1.00 96.60 C +ATOM 2158 N ASP A 294 -15.153 9.537 -11.519 1.00 96.59 N +ATOM 2159 CA ASP A 294 -15.729 10.247 -12.658 1.00 97.18 C +ATOM 2160 C ASP A 294 -16.136 9.274 -13.762 1.00 97.47 C +ATOM 2161 CB ASP A 294 -14.740 11.279 -13.204 1.00 96.57 C +ATOM 2162 O ASP A 294 -15.281 8.634 -14.379 1.00 97.44 O +ATOM 2163 CG ASP A 294 -15.294 12.067 -14.377 1.00 95.03 C +ATOM 2164 OD1 ASP A 294 -16.465 11.853 -14.758 1.00 94.67 O +ATOM 2165 OD2 ASP A 294 -14.551 12.908 -14.929 1.00 93.54 O +ATOM 2166 N PRO A 295 -17.464 9.108 -14.034 1.00 97.40 N +ATOM 2167 CA PRO A 295 -17.932 8.198 -15.082 1.00 97.59 C +ATOM 2168 C PRO A 295 -17.430 8.589 -16.470 1.00 97.40 C +ATOM 2169 CB PRO A 295 -19.455 8.319 -14.999 1.00 96.99 C +ATOM 2170 O PRO A 295 -17.306 7.733 -17.350 1.00 97.18 O +ATOM 2171 CG PRO A 295 -19.728 8.753 -13.595 1.00 95.99 C +ATOM 2172 CD PRO A 295 -18.619 9.664 -13.153 1.00 96.08 C +ATOM 2173 N ALA A 296 -17.084 9.850 -16.714 1.00 96.81 N +ATOM 2174 CA ALA A 296 -16.620 10.355 -18.003 1.00 97.00 C +ATOM 2175 C ALA A 296 -15.243 9.794 -18.349 1.00 96.88 C +ATOM 2176 CB ALA A 296 -16.582 11.881 -17.994 1.00 96.47 C +ATOM 2177 O ALA A 296 -14.813 9.855 -19.503 1.00 96.55 O +ATOM 2178 N ARG A 297 -14.570 9.157 -17.461 1.00 97.07 N +ATOM 2179 CA ARG A 297 -13.234 8.612 -17.677 1.00 97.20 C +ATOM 2180 C ARG A 297 -13.303 7.168 -18.163 1.00 97.52 C +ATOM 2181 CB ARG A 297 -12.406 8.692 -16.392 1.00 96.25 C +ATOM 2182 O ARG A 297 -12.278 6.571 -18.499 1.00 97.27 O +ATOM 2183 CG ARG A 297 -12.122 10.113 -15.930 1.00 92.33 C +ATOM 2184 CD ARG A 297 -11.176 10.140 -14.738 1.00 89.83 C +ATOM 2185 NE ARG A 297 -9.831 9.709 -15.108 1.00 86.36 N +ATOM 2186 NH1 ARG A 297 -8.859 10.328 -13.105 1.00 83.61 N +ATOM 2187 NH2 ARG A 297 -7.583 9.385 -14.760 1.00 80.67 N +ATOM 2188 CZ ARG A 297 -8.761 9.808 -14.324 1.00 81.59 C +ATOM 2189 N ALA A 298 -14.451 6.542 -18.204 1.00 97.15 N +ATOM 2190 CA ALA A 298 -14.656 5.151 -18.599 1.00 97.35 C +ATOM 2191 C ALA A 298 -14.051 4.876 -19.972 1.00 97.33 C +ATOM 2192 CB ALA A 298 -16.145 4.812 -18.599 1.00 96.75 C +ATOM 2193 O ALA A 298 -13.395 3.851 -20.175 1.00 97.17 O +ATOM 2194 N ASP A 299 -14.114 5.830 -20.943 1.00 97.10 N +ATOM 2195 CA ASP A 299 -13.611 5.654 -22.302 1.00 97.44 C +ATOM 2196 C ASP A 299 -12.098 5.449 -22.305 1.00 97.46 C +ATOM 2197 CB ASP A 299 -13.981 6.858 -23.171 1.00 96.91 C +ATOM 2198 O ASP A 299 -11.586 4.584 -23.018 1.00 97.39 O +ATOM 2199 CG ASP A 299 -15.461 6.916 -23.505 1.00 95.15 C +ATOM 2200 OD1 ASP A 299 -16.167 5.901 -23.325 1.00 95.18 O +ATOM 2201 OD2 ASP A 299 -15.925 7.986 -23.955 1.00 95.20 O +ATOM 2202 N ALA A 300 -11.349 6.153 -21.492 1.00 96.48 N +ATOM 2203 CA ALA A 300 -9.908 5.978 -21.334 1.00 96.68 C +ATOM 2204 C ALA A 300 -9.581 4.593 -20.781 1.00 97.06 C +ATOM 2205 CB ALA A 300 -9.337 7.060 -20.420 1.00 95.81 C +ATOM 2206 O ALA A 300 -8.656 3.931 -21.257 1.00 96.96 O +ATOM 2207 N PHE A 301 -10.397 4.053 -19.850 1.00 97.12 N +ATOM 2208 CA PHE A 301 -10.246 2.705 -19.316 1.00 97.47 C +ATOM 2209 C PHE A 301 -10.498 1.662 -20.399 1.00 97.50 C +ATOM 2210 CB PHE A 301 -11.201 2.481 -18.140 1.00 97.23 C +ATOM 2211 O PHE A 301 -9.700 0.740 -20.578 1.00 97.31 O +ATOM 2212 CG PHE A 301 -10.665 2.971 -16.822 1.00 96.49 C +ATOM 2213 CD1 PHE A 301 -10.289 2.073 -15.831 1.00 94.95 C +ATOM 2214 CD2 PHE A 301 -10.537 4.332 -16.574 1.00 95.04 C +ATOM 2215 CE1 PHE A 301 -9.793 2.524 -14.610 1.00 93.74 C +ATOM 2216 CE2 PHE A 301 -10.042 4.790 -15.356 1.00 93.15 C +ATOM 2217 CZ PHE A 301 -9.672 3.884 -14.375 1.00 92.85 C +ATOM 2218 N TYR A 302 -11.526 1.815 -21.171 1.00 97.42 N +ATOM 2219 CA TYR A 302 -11.818 0.913 -22.279 1.00 97.70 C +ATOM 2220 C TYR A 302 -10.655 0.861 -23.262 1.00 97.35 C +ATOM 2221 CB TYR A 302 -13.095 1.348 -23.004 1.00 97.66 C +ATOM 2222 O TYR A 302 -10.238 -0.221 -23.683 1.00 97.10 O +ATOM 2223 CG TYR A 302 -14.362 0.835 -22.363 1.00 97.70 C +ATOM 2224 CD1 TYR A 302 -14.714 -0.510 -22.448 1.00 97.47 C +ATOM 2225 CD2 TYR A 302 -15.210 1.694 -21.672 1.00 97.55 C +ATOM 2226 CE1 TYR A 302 -15.881 -0.987 -21.861 1.00 96.98 C +ATOM 2227 CE2 TYR A 302 -16.379 1.228 -21.080 1.00 96.81 C +ATOM 2228 OH TYR A 302 -17.862 -0.579 -20.596 1.00 95.52 O +ATOM 2229 CZ TYR A 302 -16.706 -0.112 -21.180 1.00 96.44 C +ATOM 2230 N ALA A 303 -10.118 2.006 -23.661 1.00 97.60 N +ATOM 2231 CA ALA A 303 -9.004 2.102 -24.600 1.00 97.57 C +ATOM 2232 C ALA A 303 -7.781 1.354 -24.078 1.00 97.41 C +ATOM 2233 CB ALA A 303 -8.656 3.565 -24.865 1.00 97.14 C +ATOM 2234 O ALA A 303 -7.160 0.580 -24.810 1.00 97.11 O +ATOM 2235 N GLU A 304 -7.445 1.464 -22.782 1.00 97.53 N +ATOM 2236 CA GLU A 304 -6.296 0.812 -22.161 1.00 97.53 C +ATOM 2237 C GLU A 304 -6.529 -0.687 -22.005 1.00 97.81 C +ATOM 2238 CB GLU A 304 -5.991 1.442 -20.800 1.00 96.43 C +ATOM 2239 O GLU A 304 -5.671 -1.496 -22.366 1.00 97.62 O +ATOM 2240 CG GLU A 304 -5.400 2.842 -20.888 1.00 85.81 C +ATOM 2241 CD GLU A 304 -4.095 2.894 -21.665 1.00 78.23 C +ATOM 2242 OE1 GLU A 304 -3.213 2.038 -21.429 1.00 79.74 O +ATOM 2243 OE2 GLU A 304 -3.952 3.799 -22.517 1.00 75.51 O +ATOM 2244 N ILE A 305 -7.682 -1.160 -21.558 1.00 98.17 N +ATOM 2245 CA ILE A 305 -8.006 -2.557 -21.290 1.00 98.28 C +ATOM 2246 C ILE A 305 -8.070 -3.333 -22.603 1.00 98.30 C +ATOM 2247 CB ILE A 305 -9.340 -2.691 -20.523 1.00 98.16 C +ATOM 2248 O ILE A 305 -7.549 -4.447 -22.699 1.00 98.16 O +ATOM 2249 CG1 ILE A 305 -9.226 -2.048 -19.136 1.00 97.37 C +ATOM 2250 CG2 ILE A 305 -9.754 -4.161 -20.412 1.00 97.44 C +ATOM 2251 CD1 ILE A 305 -10.565 -1.680 -18.511 1.00 96.72 C +ATOM 2252 N ARG A 306 -8.544 -2.759 -23.705 1.00 98.23 N +ATOM 2253 CA ARG A 306 -8.750 -3.437 -24.980 1.00 98.27 C +ATOM 2254 C ARG A 306 -7.420 -3.729 -25.666 1.00 98.15 C +ATOM 2255 CB ARG A 306 -9.640 -2.597 -25.899 1.00 98.10 C +ATOM 2256 O ARG A 306 -7.361 -4.525 -26.606 1.00 97.89 O +ATOM 2257 CG ARG A 306 -11.123 -2.702 -25.584 1.00 97.73 C +ATOM 2258 CD ARG A 306 -11.958 -1.819 -26.502 1.00 97.27 C +ATOM 2259 NE ARG A 306 -13.389 -2.032 -26.299 1.00 95.88 N +ATOM 2260 NH1 ARG A 306 -14.047 -0.182 -27.517 1.00 93.04 N +ATOM 2261 NH2 ARG A 306 -15.618 -1.536 -26.540 1.00 92.96 N +ATOM 2262 CZ ARG A 306 -14.348 -1.249 -26.785 1.00 94.99 C +ATOM 2263 N ARG A 307 -6.288 -3.140 -25.222 1.00 98.04 N +ATOM 2264 CA ARG A 307 -4.948 -3.451 -25.710 1.00 98.05 C +ATOM 2265 C ARG A 307 -4.562 -4.888 -25.374 1.00 98.09 C +ATOM 2266 CB ARG A 307 -3.922 -2.482 -25.120 1.00 97.73 C +ATOM 2267 O ARG A 307 -3.828 -5.531 -26.126 1.00 97.88 O +ATOM 2268 CG ARG A 307 -4.125 -1.036 -25.546 1.00 95.80 C +ATOM 2269 CD ARG A 307 -3.174 -0.096 -24.819 1.00 93.39 C +ATOM 2270 NE ARG A 307 -2.113 0.385 -25.700 1.00 91.51 N +ATOM 2271 NH1 ARG A 307 -0.971 1.524 -24.046 1.00 87.34 N +ATOM 2272 NH2 ARG A 307 -0.182 1.525 -26.199 1.00 85.97 N +ATOM 2273 CZ ARG A 307 -1.091 1.144 -25.313 1.00 89.23 C +ATOM 2274 N TYR A 308 -5.020 -5.431 -24.243 1.00 98.38 N +ATOM 2275 CA TYR A 308 -4.667 -6.789 -23.848 1.00 98.47 C +ATOM 2276 C TYR A 308 -5.910 -7.662 -23.725 1.00 98.44 C +ATOM 2277 CB TYR A 308 -3.901 -6.781 -22.521 1.00 98.34 C +ATOM 2278 O TYR A 308 -5.807 -8.885 -23.603 1.00 98.16 O +ATOM 2279 CG TYR A 308 -4.642 -6.100 -21.397 1.00 97.82 C +ATOM 2280 CD1 TYR A 308 -4.366 -4.778 -21.054 1.00 96.55 C +ATOM 2281 CD2 TYR A 308 -5.620 -6.776 -20.674 1.00 96.57 C +ATOM 2282 CE1 TYR A 308 -5.045 -4.147 -20.017 1.00 94.91 C +ATOM 2283 CE2 TYR A 308 -6.305 -6.155 -19.635 1.00 94.65 C +ATOM 2284 OH TYR A 308 -6.687 -4.222 -18.288 1.00 92.79 O +ATOM 2285 CZ TYR A 308 -6.012 -4.842 -19.315 1.00 94.63 C +ATOM 2286 N TRP A 309 -7.118 -7.098 -23.743 1.00 98.12 N +ATOM 2287 CA TRP A 309 -8.391 -7.809 -23.791 1.00 98.28 C +ATOM 2288 C TRP A 309 -9.329 -7.178 -24.816 1.00 98.14 C +ATOM 2289 CB TRP A 309 -9.055 -7.818 -22.412 1.00 98.09 C +ATOM 2290 O TRP A 309 -10.342 -6.577 -24.452 1.00 97.11 O +ATOM 2291 CG TRP A 309 -10.284 -8.673 -22.332 1.00 97.00 C +ATOM 2292 CD1 TRP A 309 -10.603 -9.734 -23.134 1.00 94.69 C +ATOM 2293 CD2 TRP A 309 -11.362 -8.535 -21.402 1.00 94.97 C +ATOM 2294 CE2 TRP A 309 -12.301 -9.548 -21.696 1.00 95.33 C +ATOM 2295 CE3 TRP A 309 -11.625 -7.652 -20.345 1.00 93.77 C +ATOM 2296 NE1 TRP A 309 -11.814 -10.265 -22.756 1.00 93.88 N +ATOM 2297 CH2 TRP A 309 -13.718 -8.826 -19.943 1.00 93.83 C +ATOM 2298 CZ2 TRP A 309 -13.485 -9.702 -20.971 1.00 93.66 C +ATOM 2299 CZ3 TRP A 309 -12.804 -7.808 -19.625 1.00 93.64 C +ATOM 2300 N PRO A 310 -9.169 -7.378 -26.179 1.00 98.43 N +ATOM 2301 CA PRO A 310 -9.926 -6.728 -27.251 1.00 98.43 C +ATOM 2302 C PRO A 310 -11.412 -7.082 -27.222 1.00 98.31 C +ATOM 2303 CB PRO A 310 -9.263 -7.260 -28.524 1.00 98.20 C +ATOM 2304 O PRO A 310 -12.241 -6.321 -27.727 1.00 98.06 O +ATOM 2305 CG PRO A 310 -7.862 -7.585 -28.118 1.00 97.63 C +ATOM 2306 CD PRO A 310 -7.884 -8.122 -26.716 1.00 97.33 C +ATOM 2307 N ALA A 311 -11.818 -8.189 -26.590 1.00 97.55 N +ATOM 2308 CA ALA A 311 -13.185 -8.702 -26.562 1.00 97.52 C +ATOM 2309 C ALA A 311 -13.982 -8.077 -25.420 1.00 97.43 C +ATOM 2310 CB ALA A 311 -13.181 -10.223 -26.434 1.00 97.00 C +ATOM 2311 O ALA A 311 -15.071 -8.548 -25.084 1.00 96.83 O +ATOM 2312 N LEU A 312 -13.429 -7.095 -24.651 1.00 97.88 N +ATOM 2313 CA LEU A 312 -14.184 -6.381 -23.627 1.00 97.95 C +ATOM 2314 C LEU A 312 -15.442 -5.753 -24.219 1.00 97.66 C +ATOM 2315 CB LEU A 312 -13.317 -5.300 -22.978 1.00 97.86 C +ATOM 2316 O LEU A 312 -15.357 -4.879 -25.084 1.00 97.16 O +ATOM 2317 CG LEU A 312 -13.978 -4.472 -21.875 1.00 97.60 C +ATOM 2318 CD1 LEU A 312 -14.254 -5.342 -20.653 1.00 97.05 C +ATOM 2319 CD2 LEU A 312 -13.103 -3.280 -21.502 1.00 97.09 C +ATOM 2320 N PRO A 313 -16.656 -6.221 -23.731 1.00 95.64 N +ATOM 2321 CA PRO A 313 -17.898 -5.667 -24.274 1.00 95.88 C +ATOM 2322 C PRO A 313 -18.027 -4.164 -24.040 1.00 96.05 C +ATOM 2323 CB PRO A 313 -18.986 -6.433 -23.517 1.00 94.92 C +ATOM 2324 O PRO A 313 -17.495 -3.641 -23.057 1.00 96.17 O +ATOM 2325 CG PRO A 313 -18.316 -7.682 -23.044 1.00 93.33 C +ATOM 2326 CD PRO A 313 -16.885 -7.362 -22.719 1.00 94.53 C +ATOM 2327 N ASP A 314 -18.835 -3.473 -24.889 1.00 93.45 N +ATOM 2328 CA ASP A 314 -19.199 -2.079 -24.656 1.00 93.12 C +ATOM 2329 C ASP A 314 -20.112 -1.946 -23.439 1.00 90.70 C +ATOM 2330 CB ASP A 314 -19.879 -1.487 -25.892 1.00 91.61 C +ATOM 2331 O ASP A 314 -20.863 -2.868 -23.116 1.00 88.91 O +ATOM 2332 CG ASP A 314 -18.968 -1.440 -27.105 1.00 91.72 C +ATOM 2333 OD1 ASP A 314 -17.740 -1.276 -26.940 1.00 93.68 O +ATOM 2334 OD2 ASP A 314 -19.483 -1.566 -28.238 1.00 92.25 O +ATOM 2335 N ALA A 315 -19.959 -0.840 -22.687 1.00 94.03 N +ATOM 2336 CA ALA A 315 -20.735 -0.450 -21.512 1.00 95.18 C +ATOM 2337 C ALA A 315 -20.630 -1.502 -20.412 1.00 95.04 C +ATOM 2338 CB ALA A 315 -22.196 -0.224 -21.892 1.00 92.49 C +ATOM 2339 O ALA A 315 -21.514 -1.605 -19.558 1.00 93.42 O +ATOM 2340 N ALA A 316 -19.529 -2.306 -20.307 1.00 96.58 N +ATOM 2341 CA ALA A 316 -19.305 -3.368 -19.330 1.00 97.00 C +ATOM 2342 C ALA A 316 -18.637 -2.824 -18.071 1.00 97.04 C +ATOM 2343 CB ALA A 316 -18.456 -4.481 -19.941 1.00 95.36 C +ATOM 2344 O ALA A 316 -18.402 -3.567 -17.115 1.00 96.50 O +ATOM 2345 N LEU A 317 -18.246 -1.580 -18.040 1.00 97.80 N +ATOM 2346 CA LEU A 317 -17.569 -0.989 -16.891 1.00 97.91 C +ATOM 2347 C LEU A 317 -18.496 -0.036 -16.145 1.00 97.54 C +ATOM 2348 CB LEU A 317 -16.306 -0.248 -17.336 1.00 97.66 C +ATOM 2349 O LEU A 317 -19.097 0.854 -16.751 1.00 97.02 O +ATOM 2350 CG LEU A 317 -15.228 -1.093 -18.018 1.00 97.18 C +ATOM 2351 CD1 LEU A 317 -14.016 -0.232 -18.358 1.00 96.39 C +ATOM 2352 CD2 LEU A 317 -14.825 -2.265 -17.129 1.00 96.42 C +ATOM 2353 N THR A 318 -18.587 -0.162 -14.843 1.00 97.99 N +ATOM 2354 CA THR A 318 -19.270 0.757 -13.939 1.00 98.02 C +ATOM 2355 C THR A 318 -18.290 1.356 -12.934 1.00 98.00 C +ATOM 2356 CB THR A 318 -20.414 0.052 -13.187 1.00 97.48 C +ATOM 2357 O THR A 318 -17.362 0.680 -12.486 1.00 97.82 O +ATOM 2358 CG2 THR A 318 -21.496 -0.423 -14.152 1.00 91.89 C +ATOM 2359 OG1 THR A 318 -19.889 -1.079 -12.481 1.00 93.53 O +ATOM 2360 N PRO A 319 -18.449 2.670 -12.565 1.00 97.90 N +ATOM 2361 CA PRO A 319 -17.649 3.218 -11.467 1.00 97.97 C +ATOM 2362 C PRO A 319 -17.694 2.349 -10.213 1.00 97.89 C +ATOM 2363 CB PRO A 319 -18.292 4.583 -11.210 1.00 97.64 C +ATOM 2364 O PRO A 319 -18.774 1.937 -9.782 1.00 97.70 O +ATOM 2365 CG PRO A 319 -18.917 4.963 -12.513 1.00 96.84 C +ATOM 2366 CD PRO A 319 -19.481 3.725 -13.151 1.00 96.57 C +ATOM 2367 N ALA A 320 -16.528 2.005 -9.602 1.00 97.99 N +ATOM 2368 CA ALA A 320 -16.420 1.172 -8.407 1.00 97.61 C +ATOM 2369 C ALA A 320 -15.988 1.998 -7.199 1.00 97.26 C +ATOM 2370 CB ALA A 320 -15.437 0.027 -8.643 1.00 97.26 C +ATOM 2371 O ALA A 320 -16.821 2.389 -6.378 1.00 94.85 O +ATOM 2372 N TYR A 321 -14.708 2.268 -7.015 1.00 97.24 N +ATOM 2373 CA TYR A 321 -14.176 3.099 -5.941 1.00 97.47 C +ATOM 2374 C TYR A 321 -12.928 3.846 -6.396 1.00 97.49 C +ATOM 2375 CB TYR A 321 -13.854 2.247 -4.710 1.00 97.18 C +ATOM 2376 O TYR A 321 -12.337 3.511 -7.426 1.00 97.23 O +ATOM 2377 CG TYR A 321 -12.710 1.284 -4.921 1.00 96.20 C +ATOM 2378 CD1 TYR A 321 -12.931 0.017 -5.456 1.00 94.50 C +ATOM 2379 CD2 TYR A 321 -11.408 1.638 -4.584 1.00 94.55 C +ATOM 2380 CE1 TYR A 321 -11.881 -0.875 -5.651 1.00 93.08 C +ATOM 2381 CE2 TYR A 321 -10.351 0.755 -4.774 1.00 92.86 C +ATOM 2382 OH TYR A 321 -9.553 -1.376 -5.498 1.00 90.16 O +ATOM 2383 CZ TYR A 321 -10.596 -0.497 -5.308 1.00 92.60 C +ATOM 2384 N ALA A 322 -12.527 4.843 -5.626 1.00 97.33 N +ATOM 2385 CA ALA A 322 -11.234 5.506 -5.770 1.00 97.34 C +ATOM 2386 C ALA A 322 -10.439 5.446 -4.469 1.00 97.07 C +ATOM 2387 CB ALA A 322 -11.425 6.956 -6.207 1.00 96.96 C +ATOM 2388 O ALA A 322 -11.018 5.359 -3.384 1.00 96.61 O +ATOM 2389 N GLY A 323 -9.234 5.435 -4.590 1.00 96.64 N +ATOM 2390 CA GLY A 323 -8.285 5.594 -3.500 1.00 96.62 C +ATOM 2391 C GLY A 323 -7.304 6.729 -3.724 1.00 96.56 C +ATOM 2392 O GLY A 323 -6.890 6.984 -4.858 1.00 96.18 O +ATOM 2393 N ILE A 324 -6.927 7.399 -2.723 1.00 95.58 N +ATOM 2394 CA ILE A 324 -5.899 8.433 -2.768 1.00 95.65 C +ATOM 2395 C ILE A 324 -4.630 7.929 -2.085 1.00 95.51 C +ATOM 2396 CB ILE A 324 -6.383 9.741 -2.101 1.00 95.11 C +ATOM 2397 O ILE A 324 -4.686 7.381 -0.982 1.00 95.03 O +ATOM 2398 CG1 ILE A 324 -7.646 10.260 -2.798 1.00 92.70 C +ATOM 2399 CG2 ILE A 324 -5.275 10.798 -2.118 1.00 92.49 C +ATOM 2400 CD1 ILE A 324 -8.308 11.432 -2.087 1.00 90.23 C +ATOM 2401 N ARG A 325 -3.524 8.076 -2.754 1.00 95.57 N +ATOM 2402 CA ARG A 325 -2.206 7.627 -2.318 1.00 95.67 C +ATOM 2403 C ARG A 325 -1.321 8.810 -1.942 1.00 95.71 C +ATOM 2404 CB ARG A 325 -1.533 6.795 -3.412 1.00 94.99 C +ATOM 2405 O ARG A 325 -1.211 9.776 -2.701 1.00 95.37 O +ATOM 2406 CG ARG A 325 -2.263 5.502 -3.740 1.00 92.43 C +ATOM 2407 CD ARG A 325 -1.765 4.888 -5.041 1.00 90.08 C +ATOM 2408 NE ARG A 325 -2.160 5.684 -6.199 1.00 88.07 N +ATOM 2409 NH1 ARG A 325 -0.969 4.429 -7.730 1.00 81.52 N +ATOM 2410 NH2 ARG A 325 -2.193 6.236 -8.428 1.00 79.53 N +ATOM 2411 CZ ARG A 325 -1.774 5.448 -7.450 1.00 85.92 C +ATOM 2412 N PRO A 326 -0.639 8.739 -0.734 1.00 94.71 N +ATOM 2413 CA PRO A 326 0.393 9.737 -0.445 1.00 94.81 C +ATOM 2414 C PRO A 326 1.630 9.580 -1.327 1.00 94.64 C +ATOM 2415 CB PRO A 326 0.734 9.477 1.025 1.00 94.30 C +ATOM 2416 O PRO A 326 2.158 8.474 -1.463 1.00 94.13 O +ATOM 2417 CG PRO A 326 0.542 8.005 1.206 1.00 93.18 C +ATOM 2418 CD PRO A 326 -0.549 7.549 0.280 1.00 92.60 C +ATOM 2419 N LYS A 327 2.053 10.678 -1.984 1.00 94.58 N +ATOM 2420 CA LYS A 327 3.265 10.737 -2.797 1.00 94.60 C +ATOM 2421 C LYS A 327 4.245 11.769 -2.249 1.00 94.42 C +ATOM 2422 CB LYS A 327 2.920 11.062 -4.251 1.00 93.90 C +ATOM 2423 O LYS A 327 3.850 12.881 -1.892 1.00 93.82 O +ATOM 2424 CG LYS A 327 2.038 10.022 -4.926 1.00 91.57 C +ATOM 2425 CD LYS A 327 2.804 8.733 -5.199 1.00 89.40 C +ATOM 2426 CE LYS A 327 1.986 7.765 -6.044 1.00 87.04 C +ATOM 2427 NZ LYS A 327 2.765 6.538 -6.390 1.00 84.29 N +ATOM 2428 N ILE A 328 5.563 11.368 -2.208 1.00 94.49 N +ATOM 2429 CA ILE A 328 6.568 12.312 -1.733 1.00 94.04 C +ATOM 2430 C ILE A 328 7.271 12.960 -2.924 1.00 93.48 C +ATOM 2431 CB ILE A 328 7.600 11.623 -0.812 1.00 93.04 C +ATOM 2432 O ILE A 328 8.204 13.747 -2.749 1.00 91.82 O +ATOM 2433 CG1 ILE A 328 8.269 10.453 -1.542 1.00 87.92 C +ATOM 2434 CG2 ILE A 328 6.936 11.152 0.485 1.00 87.82 C +ATOM 2435 CD1 ILE A 328 9.453 9.853 -0.794 1.00 85.24 C +ATOM 2436 N VAL A 329 6.896 12.637 -4.177 1.00 94.05 N +ATOM 2437 CA VAL A 329 7.317 13.270 -5.423 1.00 93.88 C +ATOM 2438 C VAL A 329 6.095 13.563 -6.292 1.00 93.69 C +ATOM 2439 CB VAL A 329 8.322 12.387 -6.197 1.00 93.09 C +ATOM 2440 O VAL A 329 5.132 12.793 -6.299 1.00 92.99 O +ATOM 2441 CG1 VAL A 329 9.607 12.201 -5.393 1.00 90.46 C +ATOM 2442 CG2 VAL A 329 7.696 11.035 -6.532 1.00 90.26 C +ATOM 2443 N GLY A 330 6.132 14.719 -7.012 1.00 91.71 N +ATOM 2444 CA GLY A 330 5.022 15.237 -7.796 1.00 91.97 C +ATOM 2445 C GLY A 330 4.936 14.629 -9.183 1.00 92.17 C +ATOM 2446 O GLY A 330 5.702 13.722 -9.518 1.00 91.53 O +ATOM 2447 N PRO A 331 3.999 15.153 -9.993 1.00 92.54 N +ATOM 2448 CA PRO A 331 3.829 14.709 -11.379 1.00 92.69 C +ATOM 2449 C PRO A 331 5.110 14.836 -12.200 1.00 92.46 C +ATOM 2450 CB PRO A 331 2.741 15.642 -11.917 1.00 91.49 C +ATOM 2451 O PRO A 331 5.802 15.854 -12.118 1.00 91.60 O +ATOM 2452 CG PRO A 331 2.118 16.245 -10.699 1.00 88.72 C +ATOM 2453 CD PRO A 331 3.134 16.242 -9.593 1.00 88.15 C +ATOM 2454 N GLY A 332 5.382 13.802 -12.978 1.00 91.82 N +ATOM 2455 CA GLY A 332 6.491 13.781 -13.918 1.00 92.19 C +ATOM 2456 C GLY A 332 7.820 13.449 -13.267 1.00 91.95 C +ATOM 2457 O GLY A 332 8.794 13.138 -13.955 1.00 91.27 O +ATOM 2458 N ALA A 333 7.898 13.400 -11.950 1.00 92.57 N +ATOM 2459 CA ALA A 333 9.107 12.958 -11.259 1.00 92.68 C +ATOM 2460 C ALA A 333 9.229 11.437 -11.287 1.00 92.73 C +ATOM 2461 CB ALA A 333 9.111 13.463 -9.819 1.00 91.88 C +ATOM 2462 O ALA A 333 8.220 10.728 -11.312 1.00 92.01 O +ATOM 2463 N PRO A 334 10.467 10.879 -11.201 1.00 90.42 N +ATOM 2464 CA PRO A 334 10.639 9.434 -11.032 1.00 91.25 C +ATOM 2465 C PRO A 334 9.973 8.905 -9.764 1.00 91.70 C +ATOM 2466 CB PRO A 334 12.159 9.267 -10.961 1.00 90.39 C +ATOM 2467 O PRO A 334 9.877 9.625 -8.766 1.00 91.33 O +ATOM 2468 CG PRO A 334 12.709 10.468 -11.659 1.00 89.79 C +ATOM 2469 CD PRO A 334 11.811 11.638 -11.375 1.00 89.74 C +ATOM 2470 N ALA A 335 9.585 7.648 -9.727 1.00 88.89 N +ATOM 2471 CA ALA A 335 8.977 7.005 -8.566 1.00 90.88 C +ATOM 2472 C ALA A 335 9.919 7.037 -7.365 1.00 91.78 C +ATOM 2473 CB ALA A 335 8.591 5.565 -8.896 1.00 88.41 C +ATOM 2474 O ALA A 335 11.063 6.586 -7.454 1.00 91.51 O +ATOM 2475 N ALA A 336 9.399 7.459 -6.237 1.00 92.66 N +ATOM 2476 CA ALA A 336 10.182 7.544 -5.007 1.00 93.67 C +ATOM 2477 C ALA A 336 10.134 6.230 -4.234 1.00 94.23 C +ATOM 2478 CB ALA A 336 9.678 8.691 -4.134 1.00 92.07 C +ATOM 2479 O ALA A 336 9.177 5.462 -4.361 1.00 93.92 O +ATOM 2480 N ASP A 337 11.136 5.992 -3.377 1.00 94.33 N +ATOM 2481 CA ASP A 337 11.135 4.915 -2.391 1.00 95.07 C +ATOM 2482 C ASP A 337 10.272 5.277 -1.184 1.00 95.13 C +ATOM 2483 CB ASP A 337 12.562 4.598 -1.941 1.00 94.55 C +ATOM 2484 O ASP A 337 9.840 6.423 -1.044 1.00 94.83 O +ATOM 2485 CG ASP A 337 12.752 3.142 -1.554 1.00 93.45 C +ATOM 2486 OD1 ASP A 337 11.746 2.422 -1.376 1.00 92.65 O +ATOM 2487 OD2 ASP A 337 13.918 2.712 -1.422 1.00 92.76 O +ATOM 2488 N PHE A 338 10.012 4.348 -0.320 1.00 96.04 N +ATOM 2489 CA PHE A 338 9.479 4.654 1.001 1.00 96.34 C +ATOM 2490 C PHE A 338 10.432 5.558 1.774 1.00 95.70 C +ATOM 2491 CB PHE A 338 9.220 3.367 1.790 1.00 96.32 C +ATOM 2492 O PHE A 338 11.643 5.325 1.786 1.00 94.88 O +ATOM 2493 CG PHE A 338 8.155 2.490 1.189 1.00 96.43 C +ATOM 2494 CD1 PHE A 338 7.073 3.048 0.518 1.00 95.89 C +ATOM 2495 CD2 PHE A 338 8.235 1.108 1.295 1.00 95.80 C +ATOM 2496 CE1 PHE A 338 6.086 2.238 -0.039 1.00 95.31 C +ATOM 2497 CE2 PHE A 338 7.253 0.293 0.741 1.00 95.14 C +ATOM 2498 CZ PHE A 338 6.178 0.860 0.075 1.00 94.99 C +ATOM 2499 N LEU A 339 9.910 6.562 2.468 1.00 96.41 N +ATOM 2500 CA LEU A 339 10.703 7.382 3.377 1.00 96.64 C +ATOM 2501 C LEU A 339 10.353 7.078 4.830 1.00 96.80 C +ATOM 2502 CB LEU A 339 10.483 8.870 3.087 1.00 96.23 C +ATOM 2503 O LEU A 339 9.345 7.567 5.345 1.00 96.42 O +ATOM 2504 CG LEU A 339 11.291 9.852 3.936 1.00 94.69 C +ATOM 2505 CD1 LEU A 339 12.785 9.595 3.769 1.00 91.94 C +ATOM 2506 CD2 LEU A 339 10.946 11.290 3.564 1.00 91.82 C +ATOM 2507 N ILE A 340 11.178 6.237 5.465 1.00 95.82 N +ATOM 2508 CA ILE A 340 11.137 5.922 6.889 1.00 95.89 C +ATOM 2509 C ILE A 340 12.245 6.679 7.618 1.00 95.37 C +ATOM 2510 CB ILE A 340 11.274 4.403 7.136 1.00 95.71 C +ATOM 2511 O ILE A 340 13.413 6.288 7.562 1.00 94.45 O +ATOM 2512 CG1 ILE A 340 10.199 3.636 6.358 1.00 95.02 C +ATOM 2513 CG2 ILE A 340 11.195 4.090 8.633 1.00 94.91 C +ATOM 2514 CD1 ILE A 340 10.241 2.128 6.565 1.00 94.15 C +ATOM 2515 N GLN A 341 11.894 7.735 8.362 1.00 96.25 N +ATOM 2516 CA GLN A 341 12.829 8.583 9.094 1.00 96.30 C +ATOM 2517 C GLN A 341 12.819 8.254 10.584 1.00 96.29 C +ATOM 2518 CB GLN A 341 12.495 10.060 8.880 1.00 95.73 C +ATOM 2519 O GLN A 341 11.817 8.477 11.268 1.00 95.79 O +ATOM 2520 CG GLN A 341 12.678 10.530 7.444 1.00 92.50 C +ATOM 2521 CD GLN A 341 12.366 12.004 7.264 1.00 88.83 C +ATOM 2522 NE2 GLN A 341 12.834 12.579 6.161 1.00 88.08 N +ATOM 2523 OE1 GLN A 341 11.708 12.620 8.109 1.00 89.55 O +ATOM 2524 N GLY A 342 13.929 7.818 11.111 1.00 94.16 N +ATOM 2525 CA GLY A 342 14.134 7.551 12.526 1.00 94.26 C +ATOM 2526 C GLY A 342 15.093 8.525 13.185 1.00 94.16 C +ATOM 2527 O GLY A 342 15.513 9.505 12.566 1.00 93.40 O +ATOM 2528 N PRO A 343 15.505 8.272 14.371 1.00 92.56 N +ATOM 2529 CA PRO A 343 16.373 9.141 15.169 1.00 92.68 C +ATOM 2530 C PRO A 343 17.684 9.477 14.460 1.00 92.13 C +ATOM 2531 CB PRO A 343 16.632 8.317 16.433 1.00 92.07 C +ATOM 2532 O PRO A 343 18.195 10.592 14.595 1.00 91.08 O +ATOM 2533 CG PRO A 343 15.388 7.512 16.625 1.00 91.60 C +ATOM 2534 CD PRO A 343 14.889 7.077 15.277 1.00 91.46 C +ATOM 2535 N ALA A 344 18.163 8.609 13.573 1.00 89.29 N +ATOM 2536 CA ALA A 344 19.428 8.787 12.866 1.00 89.26 C +ATOM 2537 C ALA A 344 19.328 9.911 11.838 1.00 89.13 C +ATOM 2538 CB ALA A 344 19.847 7.485 12.187 1.00 88.15 C +ATOM 2539 O ALA A 344 20.336 10.524 11.479 1.00 88.26 O +ATOM 2540 N GLN A 345 18.180 10.262 11.366 1.00 92.06 N +ATOM 2541 CA GLN A 345 17.977 11.265 10.326 1.00 92.23 C +ATOM 2542 C GLN A 345 17.646 12.626 10.931 1.00 92.24 C +ATOM 2543 CB GLN A 345 16.865 10.832 9.370 1.00 91.72 C +ATOM 2544 O GLN A 345 18.044 13.663 10.396 1.00 91.32 O +ATOM 2545 CG GLN A 345 17.240 9.650 8.486 1.00 90.11 C +ATOM 2546 CD GLN A 345 17.052 8.314 9.180 1.00 87.24 C +ATOM 2547 NE2 GLN A 345 17.336 7.230 8.467 1.00 87.60 N +ATOM 2548 OE1 GLN A 345 16.654 8.257 10.348 1.00 87.58 O +ATOM 2549 N HIS A 346 16.937 12.642 12.163 1.00 94.00 N +ATOM 2550 CA HIS A 346 16.395 13.911 12.633 1.00 94.44 C +ATOM 2551 C HIS A 346 16.854 14.213 14.056 1.00 92.76 C +ATOM 2552 CB HIS A 346 14.867 13.899 12.566 1.00 93.50 C +ATOM 2553 O HIS A 346 16.547 15.277 14.599 1.00 89.74 O +ATOM 2554 CG HIS A 346 14.246 12.717 13.240 1.00 92.43 C +ATOM 2555 CD2 HIS A 346 13.541 11.676 12.737 1.00 89.52 C +ATOM 2556 ND1 HIS A 346 14.316 12.515 14.601 1.00 89.44 N +ATOM 2557 CE1 HIS A 346 13.680 11.396 14.907 1.00 88.53 C +ATOM 2558 NE2 HIS A 346 13.200 10.869 13.794 1.00 89.37 N +ATOM 2559 N GLY A 347 17.651 13.295 14.773 1.00 91.62 N +ATOM 2560 CA GLY A 347 18.246 13.512 16.083 1.00 91.69 C +ATOM 2561 C GLY A 347 17.247 13.394 17.218 1.00 91.22 C +ATOM 2562 O GLY A 347 17.584 13.648 18.377 1.00 89.83 O +ATOM 2563 N ILE A 348 16.017 12.982 16.996 1.00 92.62 N +ATOM 2564 CA ILE A 348 14.967 12.923 18.008 1.00 93.25 C +ATOM 2565 C ILE A 348 14.746 11.474 18.438 1.00 93.64 C +ATOM 2566 CB ILE A 348 13.647 13.535 17.489 1.00 92.90 C +ATOM 2567 O ILE A 348 14.169 10.680 17.692 1.00 93.09 O +ATOM 2568 CG1 ILE A 348 13.870 14.984 17.041 1.00 90.73 C +ATOM 2569 CG2 ILE A 348 12.556 13.455 18.561 1.00 89.89 C +ATOM 2570 CD1 ILE A 348 12.795 15.514 16.102 1.00 89.46 C +ATOM 2571 N ALA A 349 15.093 11.137 19.646 1.00 92.83 N +ATOM 2572 CA ALA A 349 14.992 9.788 20.197 1.00 93.48 C +ATOM 2573 C ALA A 349 13.538 9.330 20.263 1.00 93.99 C +ATOM 2574 CB ALA A 349 15.629 9.730 21.583 1.00 92.24 C +ATOM 2575 O ALA A 349 12.667 10.074 20.719 1.00 93.77 O +ATOM 2576 N GLY A 350 13.289 8.157 19.711 1.00 94.94 N +ATOM 2577 CA GLY A 350 12.014 7.466 19.820 1.00 95.55 C +ATOM 2578 C GLY A 350 10.993 7.930 18.799 1.00 95.99 C +ATOM 2579 O GLY A 350 9.893 7.380 18.719 1.00 95.74 O +ATOM 2580 N LEU A 351 11.274 8.898 17.976 1.00 96.75 N +ATOM 2581 CA LEU A 351 10.363 9.329 16.921 1.00 97.05 C +ATOM 2582 C LEU A 351 10.689 8.635 15.604 1.00 97.16 C +ATOM 2583 CB LEU A 351 10.432 10.848 16.742 1.00 97.03 C +ATOM 2584 O LEU A 351 11.831 8.677 15.141 1.00 96.96 O +ATOM 2585 CG LEU A 351 9.571 11.439 15.625 1.00 96.92 C +ATOM 2586 CD1 LEU A 351 8.093 11.187 15.906 1.00 96.47 C +ATOM 2587 CD2 LEU A 351 9.844 12.931 15.470 1.00 96.40 C +ATOM 2588 N VAL A 352 9.717 8.056 14.951 1.00 97.59 N +ATOM 2589 CA VAL A 352 9.806 7.526 13.594 1.00 97.70 C +ATOM 2590 C VAL A 352 8.665 8.083 12.745 1.00 97.84 C +ATOM 2591 CB VAL A 352 9.773 5.982 13.585 1.00 97.51 C +ATOM 2592 O VAL A 352 7.499 8.015 13.141 1.00 97.70 O +ATOM 2593 CG1 VAL A 352 9.901 5.448 12.159 1.00 96.53 C +ATOM 2594 CG2 VAL A 352 10.883 5.419 14.471 1.00 96.58 C +ATOM 2595 N ASN A 353 8.948 8.632 11.586 1.00 98.07 N +ATOM 2596 CA ASN A 353 7.983 9.118 10.605 1.00 98.11 C +ATOM 2597 C ASN A 353 7.957 8.235 9.360 1.00 98.17 C +ATOM 2598 CB ASN A 353 8.291 10.567 10.222 1.00 97.95 C +ATOM 2599 O ASN A 353 9.000 7.970 8.760 1.00 98.01 O +ATOM 2600 CG ASN A 353 8.160 11.521 11.393 1.00 96.85 C +ATOM 2601 ND2 ASN A 353 9.281 12.086 11.825 1.00 95.35 N +ATOM 2602 OD1 ASN A 353 7.061 11.747 11.905 1.00 95.31 O +ATOM 2603 N LEU A 354 6.818 7.826 8.950 1.00 98.23 N +ATOM 2604 CA LEU A 354 6.539 7.068 7.735 1.00 98.18 C +ATOM 2605 C LEU A 354 5.848 7.943 6.695 1.00 97.90 C +ATOM 2606 CB LEU A 354 5.669 5.848 8.052 1.00 98.16 C +ATOM 2607 O LEU A 354 4.646 8.202 6.795 1.00 97.27 O +ATOM 2608 CG LEU A 354 6.142 4.960 9.204 1.00 97.90 C +ATOM 2609 CD1 LEU A 354 5.204 3.769 9.374 1.00 97.34 C +ATOM 2610 CD2 LEU A 354 7.573 4.490 8.966 1.00 97.17 C +ATOM 2611 N PHE A 355 6.589 8.382 5.675 1.00 96.96 N +ATOM 2612 CA PHE A 355 6.089 9.251 4.616 1.00 96.99 C +ATOM 2613 C PHE A 355 5.989 8.495 3.297 1.00 96.59 C +ATOM 2614 CB PHE A 355 6.995 10.475 4.452 1.00 97.00 C +ATOM 2615 O PHE A 355 6.849 7.671 2.981 1.00 95.99 O +ATOM 2616 CG PHE A 355 7.112 11.316 5.695 1.00 96.88 C +ATOM 2617 CD1 PHE A 355 6.010 11.999 6.195 1.00 96.35 C +ATOM 2618 CD2 PHE A 355 8.324 11.423 6.363 1.00 96.18 C +ATOM 2619 CE1 PHE A 355 6.115 12.777 7.345 1.00 95.49 C +ATOM 2620 CE2 PHE A 355 8.437 12.199 7.513 1.00 95.56 C +ATOM 2621 CZ PHE A 355 7.331 12.876 8.002 1.00 95.30 C +ATOM 2622 N GLY A 356 4.954 8.752 2.536 1.00 96.08 N +ATOM 2623 CA GLY A 356 4.800 8.233 1.187 1.00 95.97 C +ATOM 2624 C GLY A 356 4.671 6.722 1.140 1.00 95.78 C +ATOM 2625 O GLY A 356 5.079 6.090 0.163 1.00 94.78 O +ATOM 2626 N ILE A 357 4.218 6.086 2.286 1.00 97.74 N +ATOM 2627 CA ILE A 357 3.926 4.657 2.308 1.00 97.55 C +ATOM 2628 C ILE A 357 2.689 4.369 1.460 1.00 96.70 C +ATOM 2629 CB ILE A 357 3.716 4.145 3.751 1.00 97.47 C +ATOM 2630 O ILE A 357 1.565 4.382 1.966 1.00 94.75 O +ATOM 2631 CG1 ILE A 357 4.893 4.563 4.642 1.00 97.16 C +ATOM 2632 CG2 ILE A 357 3.533 2.625 3.764 1.00 97.05 C +ATOM 2633 CD1 ILE A 357 6.251 4.106 4.127 1.00 95.95 C +ATOM 2634 N GLU A 358 2.847 4.073 0.105 1.00 96.90 N +ATOM 2635 CA GLU A 358 1.859 3.669 -0.890 1.00 96.78 C +ATOM 2636 C GLU A 358 2.020 2.198 -1.262 1.00 96.83 C +ATOM 2637 CB GLU A 358 1.968 4.543 -2.142 1.00 95.69 C +ATOM 2638 O GLU A 358 2.665 1.436 -0.539 1.00 96.09 O +ATOM 2639 CG GLU A 358 3.329 4.481 -2.819 1.00 89.39 C +ATOM 2640 CD GLU A 358 3.373 5.218 -4.148 1.00 83.03 C +ATOM 2641 OE1 GLU A 358 2.296 5.498 -4.723 1.00 82.59 O +ATOM 2642 OE2 GLU A 358 4.493 5.518 -4.619 1.00 81.12 O +ATOM 2643 N SER A 359 1.562 1.854 -2.420 1.00 97.09 N +ATOM 2644 CA SER A 359 1.850 0.514 -2.923 1.00 97.13 C +ATOM 2645 C SER A 359 3.352 0.276 -3.031 1.00 97.13 C +ATOM 2646 CB SER A 359 1.192 0.300 -4.286 1.00 96.21 C +ATOM 2647 O SER A 359 4.082 1.112 -3.568 1.00 96.70 O +ATOM 2648 OG SER A 359 1.385 -1.031 -4.734 1.00 86.24 O +ATOM 2649 N PRO A 360 3.720 -0.795 -2.507 1.00 97.46 N +ATOM 2650 CA PRO A 360 3.093 -2.009 -1.979 1.00 97.65 C +ATOM 2651 C PRO A 360 2.910 -1.968 -0.464 1.00 97.72 C +ATOM 2652 CB PRO A 360 4.073 -3.115 -2.381 1.00 97.24 C +ATOM 2653 O PRO A 360 3.111 -2.979 0.214 1.00 97.27 O +ATOM 2654 CG PRO A 360 5.426 -2.493 -2.247 1.00 95.86 C +ATOM 2655 CD PRO A 360 5.333 -1.054 -2.667 1.00 93.19 C +ATOM 2656 N GLY A 361 2.513 -0.875 0.142 1.00 98.51 N +ATOM 2657 CA GLY A 361 2.414 -0.670 1.579 1.00 98.56 C +ATOM 2658 C GLY A 361 1.605 -1.745 2.280 1.00 98.67 C +ATOM 2659 O GLY A 361 1.985 -2.212 3.357 1.00 98.62 O +ATOM 2660 N LEU A 362 0.517 -2.289 1.659 1.00 98.80 N +ATOM 2661 CA LEU A 362 -0.245 -3.433 2.150 1.00 98.81 C +ATOM 2662 C LEU A 362 0.638 -4.673 2.247 1.00 98.84 C +ATOM 2663 CB LEU A 362 -1.439 -3.713 1.234 1.00 98.75 C +ATOM 2664 O LEU A 362 0.763 -5.268 3.320 1.00 98.81 O +ATOM 2665 CG LEU A 362 -2.307 -4.918 1.602 1.00 97.98 C +ATOM 2666 CD1 LEU A 362 -3.186 -4.590 2.805 1.00 95.55 C +ATOM 2667 CD2 LEU A 362 -3.159 -5.346 0.413 1.00 95.60 C +ATOM 2668 N THR A 363 1.371 -5.072 1.224 1.00 98.67 N +ATOM 2669 CA THR A 363 2.259 -6.227 1.158 1.00 98.70 C +ATOM 2670 C THR A 363 3.423 -6.072 2.133 1.00 98.71 C +ATOM 2671 CB THR A 363 2.805 -6.431 -0.268 1.00 98.64 C +ATOM 2672 O THR A 363 3.818 -7.035 2.794 1.00 98.65 O +ATOM 2673 CG2 THR A 363 3.605 -7.726 -0.371 1.00 98.39 C +ATOM 2674 OG1 THR A 363 1.709 -6.485 -1.190 1.00 98.03 O +ATOM 2675 N ALA A 364 3.982 -4.885 2.262 1.00 98.40 N +ATOM 2676 CA ALA A 364 5.197 -4.580 3.013 1.00 98.39 C +ATOM 2677 C ALA A 364 4.871 -4.212 4.458 1.00 98.45 C +ATOM 2678 CB ALA A 364 5.969 -3.448 2.340 1.00 98.23 C +ATOM 2679 O ALA A 364 5.769 -3.897 5.243 1.00 98.31 O +ATOM 2680 N CYS A 365 3.616 -4.191 4.946 1.00 98.84 N +ATOM 2681 CA CYS A 365 3.180 -3.548 6.181 1.00 98.84 C +ATOM 2682 C CYS A 365 3.886 -4.152 7.389 1.00 98.84 C +ATOM 2683 CB CYS A 365 1.666 -3.677 6.347 1.00 98.82 C +ATOM 2684 O CYS A 365 4.368 -3.425 8.259 1.00 98.77 O +ATOM 2685 SG CYS A 365 1.093 -5.384 6.493 1.00 98.58 S +ATOM 2686 N LEU A 366 4.080 -5.507 7.397 1.00 98.48 N +ATOM 2687 CA LEU A 366 4.735 -6.202 8.499 1.00 98.48 C +ATOM 2688 C LEU A 366 6.229 -5.897 8.524 1.00 98.47 C +ATOM 2689 CB LEU A 366 4.513 -7.713 8.389 1.00 98.48 C +ATOM 2690 O LEU A 366 6.773 -5.523 9.565 1.00 98.32 O +ATOM 2691 CG LEU A 366 3.077 -8.203 8.580 1.00 98.28 C +ATOM 2692 CD1 LEU A 366 2.974 -9.687 8.242 1.00 97.86 C +ATOM 2693 CD2 LEU A 366 2.607 -7.941 10.006 1.00 97.80 C +ATOM 2694 N ALA A 367 6.905 -5.875 7.371 1.00 96.83 N +ATOM 2695 CA ALA A 367 8.327 -5.563 7.265 1.00 96.85 C +ATOM 2696 C ALA A 367 8.586 -4.083 7.535 1.00 96.89 C +ATOM 2697 CB ALA A 367 8.855 -5.949 5.885 1.00 96.56 C +ATOM 2698 O ALA A 367 9.613 -3.722 8.115 1.00 96.62 O +ATOM 2699 N ILE A 368 7.667 -3.166 7.150 1.00 97.45 N +ATOM 2700 CA ILE A 368 7.705 -1.753 7.509 1.00 97.49 C +ATOM 2701 C ILE A 368 7.585 -1.602 9.024 1.00 97.57 C +ATOM 2702 CB ILE A 368 6.584 -0.959 6.801 1.00 97.52 C +ATOM 2703 O ILE A 368 8.338 -0.844 9.640 1.00 97.38 O +ATOM 2704 CG1 ILE A 368 6.879 -0.841 5.302 1.00 96.95 C +ATOM 2705 CG2 ILE A 368 6.417 0.423 7.438 1.00 96.98 C +ATOM 2706 CD1 ILE A 368 5.678 -0.420 4.466 1.00 96.30 C +ATOM 2707 N ALA A 369 6.681 -2.363 9.681 1.00 97.92 N +ATOM 2708 CA ALA A 369 6.417 -2.294 11.116 1.00 97.84 C +ATOM 2709 C ALA A 369 7.639 -2.729 11.919 1.00 97.72 C +ATOM 2710 CB ALA A 369 5.211 -3.158 11.478 1.00 97.82 C +ATOM 2711 O ALA A 369 8.062 -2.031 12.844 1.00 97.34 O +ATOM 2712 N GLU A 370 8.330 -3.830 11.522 1.00 95.83 N +ATOM 2713 CA GLU A 370 9.582 -4.280 12.125 1.00 95.69 C +ATOM 2714 C GLU A 370 10.654 -3.198 12.042 1.00 95.53 C +ATOM 2715 CB GLU A 370 10.075 -5.562 11.448 1.00 95.22 C +ATOM 2716 O GLU A 370 11.225 -2.804 13.061 1.00 94.95 O +ATOM 2717 CG GLU A 370 9.267 -6.799 11.813 1.00 92.68 C +ATOM 2718 CD GLU A 370 9.701 -8.044 11.054 1.00 89.38 C +ATOM 2719 OE1 GLU A 370 10.653 -7.960 10.246 1.00 90.30 O +ATOM 2720 OE2 GLU A 370 9.083 -9.110 11.269 1.00 89.57 O +ATOM 2721 N ARG A 371 10.796 -2.640 10.890 1.00 94.71 N +ATOM 2722 CA ARG A 371 11.802 -1.610 10.656 1.00 94.63 C +ATOM 2723 C ARG A 371 11.493 -0.350 11.458 1.00 94.97 C +ATOM 2724 CB ARG A 371 11.891 -1.274 9.166 1.00 93.56 C +ATOM 2725 O ARG A 371 12.401 0.293 11.989 1.00 94.65 O +ATOM 2726 CG ARG A 371 12.931 -0.215 8.834 1.00 87.18 C +ATOM 2727 CD ARG A 371 13.069 -0.012 7.332 1.00 83.34 C +ATOM 2728 NE ARG A 371 14.080 0.994 7.015 1.00 80.58 N +ATOM 2729 NH1 ARG A 371 15.853 -0.487 7.022 1.00 71.66 N +ATOM 2730 NH2 ARG A 371 16.211 1.735 6.585 1.00 67.90 N +ATOM 2731 CZ ARG A 371 15.379 0.745 6.875 1.00 76.56 C +ATOM 2732 N ALA A 372 10.278 0.076 11.521 1.00 96.71 N +ATOM 2733 CA ALA A 372 9.846 1.260 12.259 1.00 96.74 C +ATOM 2734 C ALA A 372 10.014 1.061 13.762 1.00 96.64 C +ATOM 2735 CB ALA A 372 8.393 1.593 11.928 1.00 96.73 C +ATOM 2736 O ALA A 372 10.526 1.942 14.458 1.00 96.25 O +ATOM 2737 N ALA A 373 9.670 -0.155 14.272 1.00 96.72 N +ATOM 2738 CA ALA A 373 9.814 -0.490 15.687 1.00 96.57 C +ATOM 2739 C ALA A 373 11.286 -0.587 16.080 1.00 96.15 C +ATOM 2740 CB ALA A 373 9.096 -1.801 15.999 1.00 96.44 C +ATOM 2741 O ALA A 373 11.692 -0.066 17.122 1.00 95.42 O +ATOM 2742 N ASP A 374 12.191 -1.154 15.197 1.00 94.46 N +ATOM 2743 CA ASP A 374 13.637 -1.190 15.395 1.00 94.46 C +ATOM 2744 C ASP A 374 14.213 0.220 15.494 1.00 94.12 C +ATOM 2745 CB ASP A 374 14.316 -1.957 14.259 1.00 93.80 C +ATOM 2746 O ASP A 374 15.024 0.504 16.378 1.00 93.40 O +ATOM 2747 CG ASP A 374 14.136 -3.461 14.368 1.00 91.53 C +ATOM 2748 OD1 ASP A 374 13.812 -3.959 15.468 1.00 89.92 O +ATOM 2749 OD2 ASP A 374 14.322 -4.156 13.345 1.00 90.61 O +ATOM 2750 N ALA A 375 13.757 1.111 14.630 1.00 93.98 N +ATOM 2751 CA ALA A 375 14.202 2.502 14.606 1.00 94.15 C +ATOM 2752 C ALA A 375 13.708 3.258 15.836 1.00 94.21 C +ATOM 2753 CB ALA A 375 13.720 3.193 13.332 1.00 93.63 C +ATOM 2754 O ALA A 375 14.448 4.049 16.425 1.00 93.76 O +ATOM 2755 N ALA A 376 12.550 2.984 16.347 1.00 95.74 N +ATOM 2756 CA ALA A 376 11.960 3.633 17.515 1.00 95.65 C +ATOM 2757 C ALA A 376 12.623 3.153 18.803 1.00 94.79 C +ATOM 2758 CB ALA A 376 10.456 3.374 17.565 1.00 95.59 C +ATOM 2759 O ALA A 376 12.769 3.921 19.757 1.00 93.51 O +ATOM 2760 N ASP A 377 13.154 1.891 18.764 1.00 94.35 N +ATOM 2761 CA ASP A 377 13.782 1.269 19.926 1.00 93.08 C +ATOM 2762 C ASP A 377 15.279 1.571 19.968 1.00 91.10 C +ATOM 2763 CB ASP A 377 13.551 -0.244 19.915 1.00 91.10 C +ATOM 2764 O ASP A 377 15.896 1.526 21.034 1.00 87.69 O +ATOM 2765 CG ASP A 377 13.921 -0.909 21.229 1.00 81.22 C +ATOM 2766 OD1 ASP A 377 13.837 -0.254 22.290 1.00 74.28 O +ATOM 2767 OD2 ASP A 377 14.304 -2.099 21.203 1.00 81.31 O +ATOM 2768 N GLY A 378 15.841 1.957 18.900 1.00 89.73 N +ATOM 2769 CA GLY A 378 17.265 2.209 18.754 1.00 89.08 C +ATOM 2770 C GLY A 378 18.097 0.941 18.728 1.00 87.38 C +ATOM 2771 O GLY A 378 19.327 0.998 18.775 1.00 84.22 O +ATOM 2772 N THR A 379 17.615 -0.367 18.755 1.00 84.94 N +ATOM 2773 CA THR A 379 18.302 -1.642 18.925 1.00 83.50 C +ATOM 2774 C THR A 379 19.032 -2.038 17.644 1.00 80.08 C +ATOM 2775 CB THR A 379 17.319 -2.758 19.323 1.00 80.05 C +ATOM 2776 O THR A 379 20.091 -2.667 17.697 1.00 74.34 O +ATOM 2777 CG2 THR A 379 16.808 -2.558 20.747 1.00 70.16 C +ATOM 2778 OG1 THR A 379 16.205 -2.750 18.422 1.00 71.07 O +ATOM 2779 N ARG A 380 18.603 -1.779 16.426 1.00 78.09 N +ATOM 2780 CA ARG A 380 19.189 -2.387 15.236 1.00 77.62 C +ATOM 2781 C ARG A 380 19.751 -1.323 14.299 1.00 74.76 C +ATOM 2782 CB ARG A 380 18.152 -3.238 14.500 1.00 72.45 C +ATOM 2783 O ARG A 380 20.397 -1.646 13.300 1.00 67.91 O +ATOM 2784 CG ARG A 380 17.874 -4.578 15.162 1.00 71.54 C +ATOM 2785 CD ARG A 380 17.045 -5.488 14.267 1.00 69.93 C +ATOM 2786 NE ARG A 380 16.869 -6.812 14.858 1.00 62.36 N +ATOM 2787 NH1 ARG A 380 15.767 -7.707 13.036 1.00 55.10 N +ATOM 2788 NH2 ARG A 380 16.161 -8.996 14.890 1.00 51.70 N +ATOM 2789 CZ ARG A 380 16.266 -7.835 14.260 1.00 72.26 C +ATOM 2790 N GLU A 381 19.449 -0.083 14.464 1.00 73.91 N +ATOM 2791 CA GLU A 381 20.015 0.922 13.569 1.00 72.55 C +ATOM 2792 C GLU A 381 21.523 0.742 13.420 1.00 71.59 C +ATOM 2793 CB GLU A 381 19.700 2.332 14.076 1.00 68.96 C +ATOM 2794 O GLU A 381 22.101 1.120 12.399 1.00 68.29 O +ATOM 2795 CG GLU A 381 18.332 2.847 13.652 1.00 65.87 C +ATOM 2796 CD GLU A 381 18.156 4.339 13.881 1.00 65.73 C +ATOM 2797 OE1 GLU A 381 18.933 4.929 14.666 1.00 68.72 O +ATOM 2798 OE2 GLU A 381 17.232 4.924 13.272 1.00 69.42 O +ATOM 2799 N ARG A 382 22.083 -0.049 14.236 1.00 70.60 N +ATOM 2800 CA ARG A 382 23.521 -0.293 14.185 1.00 71.70 C +ATOM 2801 C ARG A 382 23.859 -1.360 13.148 1.00 71.16 C +ATOM 2802 CB ARG A 382 24.045 -0.714 15.559 1.00 68.24 C +ATOM 2803 O ARG A 382 24.945 -1.344 12.565 1.00 69.87 O +ATOM 2804 CG ARG A 382 24.027 0.401 16.593 1.00 68.35 C +ATOM 2805 CD ARG A 382 24.665 -0.036 17.905 1.00 68.56 C +ATOM 2806 NE ARG A 382 24.482 0.965 18.952 1.00 61.31 N +ATOM 2807 NH1 ARG A 382 26.404 0.407 20.107 1.00 55.58 N +ATOM 2808 NH2 ARG A 382 25.050 2.092 20.871 1.00 52.54 N +ATOM 2809 CZ ARG A 382 25.313 1.153 19.974 1.00 68.92 C +ATOM 2810 N GLN A 383 22.902 -2.234 12.861 1.00 74.53 N +ATOM 2811 CA GLN A 383 23.207 -3.354 11.977 1.00 74.38 C +ATOM 2812 C GLN A 383 23.000 -2.972 10.514 1.00 72.02 C +ATOM 2813 CB GLN A 383 22.345 -4.567 12.330 1.00 71.21 C +ATOM 2814 O GLN A 383 23.730 -3.437 9.637 1.00 68.44 O +ATOM 2815 CG GLN A 383 22.711 -5.216 13.657 1.00 70.57 C +ATOM 2816 CD GLN A 383 21.896 -6.463 13.946 1.00 70.45 C +ATOM 2817 NE2 GLN A 383 22.397 -7.305 14.843 1.00 76.64 N +ATOM 2818 OE1 GLN A 383 20.824 -6.667 13.367 1.00 77.56 O +ATOM 2819 N PHE A 384 22.094 -2.081 10.156 1.00 67.22 N +ATOM 2820 CA PHE A 384 21.810 -1.686 8.781 1.00 67.48 C +ATOM 2821 C PHE A 384 22.877 -0.731 8.261 1.00 66.12 C +ATOM 2822 CB PHE A 384 20.427 -1.033 8.683 1.00 64.07 C +ATOM 2823 O PHE A 384 23.112 -0.653 7.053 1.00 63.39 O +ATOM 2824 CG PHE A 384 19.293 -2.019 8.615 1.00 63.65 C +ATOM 2825 CD1 PHE A 384 19.064 -2.757 7.460 1.00 62.08 C +ATOM 2826 CD2 PHE A 384 18.456 -2.209 9.707 1.00 63.36 C +ATOM 2827 CE1 PHE A 384 18.014 -3.671 7.394 1.00 62.80 C +ATOM 2828 CE2 PHE A 384 17.406 -3.121 9.648 1.00 58.41 C +ATOM 2829 CZ PHE A 384 17.186 -3.850 8.491 1.00 64.84 C +ATOM 2830 N ARG A 385 23.629 -0.056 9.038 1.00 66.87 N +ATOM 2831 CA ARG A 385 24.772 0.752 8.625 1.00 66.85 C +ATOM 2832 C ARG A 385 25.936 -0.130 8.184 1.00 67.67 C +ATOM 2833 CB ARG A 385 25.216 1.676 9.761 1.00 64.70 C +ATOM 2834 O ARG A 385 26.895 0.354 7.580 1.00 68.00 O +ATOM 2835 CG ARG A 385 24.264 2.832 10.023 1.00 65.50 C +ATOM 2836 CD ARG A 385 24.839 3.819 11.029 1.00 66.48 C +ATOM 2837 NE ARG A 385 23.930 4.936 11.268 1.00 58.40 N +ATOM 2838 NH1 ARG A 385 25.463 6.203 12.442 1.00 58.06 N +ATOM 2839 NH2 ARG A 385 23.342 6.997 12.093 1.00 54.64 N +ATOM 2840 CZ ARG A 385 24.247 6.043 11.934 1.00 66.83 C +ATOM 2841 N ALA A 386 25.806 -1.441 8.448 1.00 65.90 N +ATOM 2842 CA ALA A 386 26.948 -2.306 8.163 1.00 69.01 C +ATOM 2843 C ALA A 386 26.812 -2.961 6.792 1.00 66.50 C +ATOM 2844 CB ALA A 386 27.092 -3.372 9.247 1.00 63.15 C +ATOM 2845 O ALA A 386 27.736 -3.627 6.320 1.00 64.93 O +ATOM 2846 N HIS A 387 25.646 -2.873 6.148 1.00 64.38 N +ATOM 2847 CA HIS A 387 25.408 -3.653 4.939 1.00 64.08 C +ATOM 2848 C HIS A 387 24.961 -2.759 3.787 1.00 60.00 C +ATOM 2849 CB HIS A 387 24.363 -4.739 5.197 1.00 60.12 C +ATOM 2850 O HIS A 387 24.442 -3.249 2.781 1.00 56.57 O +ATOM 2851 CG HIS A 387 24.836 -5.820 6.116 1.00 58.78 C +ATOM 2852 CD2 HIS A 387 24.928 -7.159 5.940 1.00 60.20 C +ATOM 2853 ND1 HIS A 387 25.282 -5.567 7.395 1.00 67.27 N +ATOM 2854 CE1 HIS A 387 25.631 -6.708 7.967 1.00 63.27 C +ATOM 2855 NE2 HIS A 387 25.426 -7.689 7.105 1.00 62.57 N +ATOM 2856 N GLY A 388 25.104 -1.479 4.168 1.00 55.26 N +ATOM 2857 CA GLY A 388 25.010 -0.443 3.151 1.00 58.09 C +ATOM 2858 C GLY A 388 26.272 0.390 3.030 1.00 54.74 C +ATOM 2859 O GLY A 388 26.773 0.610 1.925 1.00 53.89 O +TER 2860 GLY A 388 +END diff --git a/conf/example/demo/pdb/A0A011QK89.tensor b/conf/example/demo/pdb/A0A011QK89.tensor new file mode 100644 index 0000000000000000000000000000000000000000..d501c4bc0cbeffa2babfd43257bd86f8effb9d32 Binary files /dev/null and b/conf/example/demo/pdb/A0A011QK89.tensor differ diff --git a/conf/example/demo/pred/A0A009IHW8.txt b/conf/example/demo/pred/A0A009IHW8.txt new file mode 100644 index 0000000000000000000000000000000000000000..74b3868e66c69b328ea311224e4c16e9383f76ea --- /dev/null +++ b/conf/example/demo/pred/A0A009IHW8.txt @@ -0,0 +1,270 @@ +No. AA DNA_binding RNA_binding Peptide_binding Protein_binding ATP_binding HEM_binding ZN_binding CA_binding MG_binding MN_binding +1 M 0.003 0.003 0.004 0.121 0.000 0.009 0.002 0.001 0.000 0.001 +2 S 0.004 0.004 0.002 0.030 0.000 0.002 0.000 0.000 0.001 0.001 +3 L 0.022 0.028 0.003 0.065 0.001 0.002 0.000 0.000 0.000 0.001 +4 E 0.013 0.014 0.002 0.055 0.001 0.002 0.001 0.000 0.001 0.001 +5 Q 0.002 0.002 0.002 0.018 0.000 0.003 0.001 0.000 0.001 0.001 +6 K 0.033 0.030 0.003 0.064 0.001 0.002 0.002 0.001 0.002 0.002 +7 K 0.134 0.138 0.006 0.216 0.002 0.004 0.003 0.001 0.002 0.002 +8 G 0.001 0.001 0.001 0.008 0.000 0.002 0.000 0.000 0.000 0.000 +9 A 0.001 0.003 0.001 0.024 0.000 0.001 0.000 0.000 0.000 0.000 +10 D 0.026 0.023 0.001 0.067 0.001 0.001 0.004 0.001 0.002 0.002 +11 I 0.006 0.009 0.001 0.018 0.000 0.002 0.001 0.000 0.000 0.000 +12 I 0.002 0.003 0.001 0.060 0.000 0.002 0.000 0.000 0.000 0.000 +13 S 0.017 0.024 0.001 0.081 0.001 0.001 0.000 0.000 0.001 0.001 +14 K 0.133 0.128 0.002 0.174 0.001 0.003 0.001 0.000 0.001 0.002 +15 I 0.001 0.003 0.001 0.082 0.000 0.002 0.000 0.000 0.000 0.000 +16 L 0.005 0.007 0.002 0.229 0.000 0.001 0.000 0.000 0.000 0.000 +17 Q 0.142 0.121 0.002 0.240 0.001 0.002 0.000 0.001 0.001 0.001 +18 I 0.036 0.055 0.001 0.105 0.000 0.002 0.000 0.000 0.001 0.000 +19 Q 0.008 0.015 0.002 0.313 0.000 0.002 0.001 0.001 0.001 0.001 +20 N 0.040 0.071 0.002 0.346 0.001 0.002 0.000 0.001 0.001 0.001 +21 S 0.075 0.106 0.001 0.183 0.001 0.002 0.000 0.000 0.001 0.000 +22 I 0.005 0.016 0.001 0.191 0.000 0.003 0.000 0.000 0.001 0.000 +23 G 0.020 0.043 0.002 0.252 0.000 0.001 0.000 0.001 0.001 0.001 +24 K 0.253 0.208 0.005 0.428 0.003 0.008 0.000 0.001 0.002 0.001 +25 T 0.194 0.137 0.002 0.351 0.001 0.003 0.000 0.001 0.002 0.001 +26 T 0.321 0.219 0.006 0.478 0.002 0.008 0.000 0.001 0.001 0.001 +27 S 0.345 0.178 0.004 0.365 0.001 0.005 0.001 0.000 0.001 0.001 +28 P 0.110 0.125 0.004 0.340 0.001 0.004 0.000 0.000 0.001 0.000 +29 S 0.268 0.199 0.003 0.376 0.001 0.005 0.000 0.000 0.001 0.001 +30 T 0.203 0.150 0.002 0.239 0.001 0.003 0.001 0.000 0.001 0.001 +31 L 0.007 0.022 0.001 0.138 0.000 0.003 0.000 0.000 0.000 0.000 +32 K 0.198 0.191 0.003 0.378 0.002 0.005 0.000 0.000 0.001 0.001 +33 T 0.172 0.181 0.002 0.304 0.001 0.003 0.000 0.000 0.001 0.001 +34 K 0.108 0.122 0.002 0.211 0.001 0.003 0.000 0.000 0.001 0.001 +35 L 0.007 0.022 0.001 0.149 0.000 0.002 0.000 0.000 0.000 0.000 +36 S 0.065 0.112 0.001 0.200 0.001 0.002 0.000 0.000 0.001 0.001 +37 E 0.043 0.074 0.001 0.140 0.001 0.001 0.002 0.001 0.001 0.001 +38 I 0.001 0.003 0.001 0.097 0.000 0.001 0.001 0.000 0.000 0.000 +39 S 0.006 0.017 0.001 0.078 0.000 0.001 0.001 0.000 0.001 0.001 +40 R 0.226 0.260 0.002 0.321 0.002 0.005 0.001 0.001 0.002 0.001 +41 K 0.038 0.058 0.001 0.071 0.001 0.002 0.001 0.000 0.001 0.001 +42 E 0.002 0.003 0.001 0.134 0.000 0.000 0.007 0.002 0.001 0.002 +43 Q 0.057 0.124 0.002 0.180 0.001 0.002 0.000 0.001 0.001 0.001 +44 E 0.034 0.054 0.001 0.103 0.001 0.001 0.003 0.001 0.001 0.001 +45 N 0.001 0.002 0.001 0.030 0.000 0.001 0.001 0.000 0.001 0.001 +46 A 0.001 0.004 0.001 0.041 0.000 0.000 0.000 0.000 0.000 0.000 +47 R 0.274 0.349 0.004 0.362 0.003 0.006 0.000 0.001 0.001 0.001 +48 I 0.003 0.005 0.001 0.022 0.000 0.002 0.001 0.000 0.000 0.000 +49 Q 0.001 0.002 0.001 0.034 0.000 0.001 0.001 0.000 0.001 0.001 +50 S 0.013 0.051 0.002 0.117 0.000 0.001 0.002 0.001 0.001 0.002 +51 K 0.255 0.320 0.015 0.539 0.003 0.007 0.001 0.001 0.001 0.001 +52 L 0.001 0.002 0.001 0.015 0.000 0.003 0.000 0.000 0.000 0.000 +53 S 0.001 0.005 0.001 0.044 0.000 0.001 0.001 0.000 0.000 0.001 +54 D 0.018 0.073 0.007 0.351 0.001 0.001 0.004 0.001 0.001 0.002 +55 L 0.019 0.035 0.030 0.511 0.001 0.011 0.000 0.000 0.001 0.000 +56 Q 0.002 0.003 0.002 0.073 0.000 0.002 0.002 0.001 0.001 0.001 +57 K 0.048 0.087 0.005 0.284 0.001 0.002 0.002 0.002 0.002 0.002 +58 K 0.198 0.253 0.060 0.676 0.003 0.010 0.001 0.001 0.002 0.001 +59 K 0.006 0.007 0.041 0.423 0.000 0.010 0.006 0.001 0.001 0.001 +60 I 0.001 0.003 0.002 0.078 0.000 0.001 0.001 0.001 0.000 0.001 +61 D 0.030 0.076 0.010 0.416 0.001 0.002 0.005 0.002 0.001 0.002 +62 I 0.010 0.012 0.035 0.590 0.000 0.008 0.001 0.001 0.001 0.001 +63 D 0.001 0.002 0.006 0.258 0.000 0.001 0.009 0.002 0.001 0.002 +64 N 0.009 0.019 0.005 0.198 0.000 0.001 0.002 0.001 0.001 0.001 +65 K 0.144 0.145 0.029 0.618 0.002 0.005 0.002 0.002 0.002 0.002 +66 L 0.002 0.003 0.016 0.494 0.000 0.004 0.002 0.001 0.001 0.001 +67 L 0.002 0.004 0.004 0.177 0.000 0.002 0.001 0.001 0.001 0.001 +68 K 0.164 0.174 0.017 0.501 0.002 0.004 0.002 0.002 0.002 0.001 +69 E 0.002 0.003 0.013 0.448 0.000 0.001 0.043 0.013 0.004 0.011 +70 K 0.005 0.004 0.007 0.363 0.000 0.001 0.003 0.001 0.001 0.001 +71 Q 0.034 0.039 0.008 0.397 0.001 0.002 0.001 0.001 0.001 0.001 +72 N 0.006 0.008 0.006 0.286 0.000 0.001 0.012 0.010 0.004 0.006 +73 L 0.001 0.001 0.007 0.315 0.000 0.001 0.015 0.010 0.004 0.008 +74 I 0.003 0.004 0.005 0.304 0.000 0.002 0.002 0.001 0.001 0.001 +75 K 0.166 0.138 0.013 0.552 0.001 0.003 0.001 0.002 0.002 0.001 +76 E 0.002 0.003 0.008 0.337 0.000 0.001 0.155 0.062 0.020 0.063 +77 E 0.001 0.002 0.007 0.352 0.000 0.001 0.047 0.009 0.004 0.012 +78 I 0.012 0.020 0.007 0.422 0.000 0.002 0.001 0.001 0.001 0.000 +79 L 0.020 0.027 0.008 0.453 0.000 0.002 0.002 0.002 0.001 0.002 +80 E 0.001 0.003 0.012 0.343 0.000 0.001 0.157 0.051 0.016 0.057 +81 R 0.006 0.005 0.009 0.429 0.000 0.002 0.007 0.002 0.002 0.002 +82 K 0.155 0.165 0.012 0.619 0.002 0.005 0.001 0.001 0.001 0.001 +83 K 0.036 0.032 0.011 0.498 0.001 0.002 0.006 0.003 0.002 0.003 +84 L 0.001 0.002 0.010 0.312 0.000 0.003 0.004 0.002 0.001 0.001 +85 E 0.004 0.008 0.004 0.352 0.000 0.001 0.008 0.002 0.001 0.002 +86 V 0.040 0.070 0.008 0.469 0.001 0.004 0.000 0.000 0.000 0.000 +87 L 0.002 0.004 0.007 0.343 0.000 0.002 0.003 0.001 0.001 0.001 +88 T 0.001 0.001 0.004 0.228 0.000 0.001 0.002 0.001 0.001 0.001 +89 K 0.047 0.098 0.006 0.441 0.001 0.005 0.003 0.002 0.001 0.001 +90 K 0.042 0.067 0.007 0.463 0.001 0.003 0.006 0.003 0.002 0.002 +91 Q 0.002 0.003 0.008 0.333 0.000 0.001 0.013 0.006 0.002 0.004 +92 Q 0.002 0.003 0.004 0.256 0.000 0.001 0.004 0.003 0.001 0.002 +93 K 0.088 0.198 0.007 0.457 0.003 0.004 0.002 0.003 0.003 0.002 +94 D 0.002 0.005 0.005 0.313 0.000 0.001 0.060 0.011 0.005 0.015 +95 E 0.002 0.004 0.011 0.496 0.000 0.002 0.125 0.021 0.011 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0.015 0.010 0.003 0.008 0.005 +171 L 0.137 0.169 0.064 0.258 0.139 0.073 0.000 0.003 0.015 0.003 +172 K 0.155 0.239 0.026 0.299 0.076 0.014 0.005 0.003 0.009 0.004 +173 V 0.321 0.271 0.030 0.578 0.050 0.013 0.001 0.006 0.009 0.003 +174 G 0.174 0.221 0.058 0.561 0.074 0.007 0.001 0.011 0.034 0.006 +175 D 0.085 0.084 0.051 0.480 0.050 0.010 0.010 0.009 0.011 0.007 +176 S 0.217 0.162 0.078 0.570 0.043 0.025 0.001 0.009 0.026 0.004 +177 L 0.206 0.206 0.203 0.239 0.251 0.159 0.000 0.002 0.007 0.003 +178 R 0.141 0.138 0.219 0.647 0.034 0.028 0.007 0.014 0.020 0.023 +179 Q 0.058 0.091 0.068 0.331 0.058 0.011 0.001 0.004 0.007 0.003 +180 K 0.032 0.057 0.184 0.056 0.253 0.042 0.000 0.002 0.008 0.003 +181 I 0.004 0.020 0.159 0.027 0.162 0.151 0.000 0.000 0.001 0.001 +182 D 0.008 0.017 0.089 0.357 0.017 0.010 0.028 0.011 0.012 0.014 +183 S 0.009 0.023 0.102 0.052 0.027 0.004 0.000 0.001 0.003 0.001 +184 G 0.001 0.005 0.042 0.003 0.055 0.013 0.000 0.000 0.002 0.001 +185 L 0.001 0.002 0.026 0.022 0.009 0.015 0.000 0.001 0.003 0.001 +186 R 0.024 0.065 0.075 0.270 0.081 0.018 0.001 0.006 0.008 0.004 +187 N 0.006 0.015 0.056 0.028 0.038 0.002 0.002 0.011 0.019 0.006 +188 S 0.000 0.001 0.008 0.002 0.003 0.001 0.000 0.001 0.007 0.001 +189 K 0.001 0.004 0.008 0.006 0.004 0.001 0.004 0.024 0.028 0.015 +190 Y 0.001 0.002 0.005 0.019 0.001 0.001 0.000 0.002 0.005 0.002 +191 G 0.000 0.000 0.001 0.001 0.001 0.002 0.000 0.000 0.001 0.001 +192 T 0.000 0.000 0.001 0.001 0.002 0.003 0.000 0.000 0.002 0.001 +193 V 0.000 0.001 0.001 0.001 0.008 0.006 0.000 0.000 0.001 0.001 +194 V 0.000 0.001 0.001 0.000 0.014 0.010 0.001 0.001 0.008 0.004 +195 L 0.000 0.000 0.001 0.001 0.001 0.003 0.000 0.000 0.002 0.001 +196 S 0.000 0.001 0.000 0.000 0.008 0.002 0.001 0.002 0.021 0.006 +197 T 0.001 0.002 0.001 0.001 0.003 0.000 0.001 0.005 0.017 0.006 +198 D 0.003 0.006 0.004 0.003 0.017 0.001 0.119 0.033 0.062 0.079 +199 F 0.008 0.020 0.025 0.002 0.229 0.168 0.001 0.002 0.017 0.008 +200 I 0.000 0.001 0.002 0.007 0.002 0.001 0.000 0.006 0.021 0.003 +201 K 0.017 0.032 0.013 0.055 0.018 0.002 0.013 0.009 0.014 0.009 +202 K 0.332 0.355 0.148 0.206 0.400 0.157 0.016 0.025 0.054 0.036 +203 D 0.075 0.111 0.092 0.514 0.049 0.007 0.085 0.101 0.081 0.069 +204 W 0.362 0.298 0.226 0.276 0.309 0.191 0.003 0.023 0.054 0.020 +205 T 0.177 0.155 0.145 0.596 0.022 0.014 0.007 0.035 0.060 0.018 +206 N 0.016 0.018 0.059 0.566 0.005 0.003 0.018 0.072 0.058 0.035 +207 Y 0.110 0.101 0.216 0.711 0.013 0.023 0.008 0.017 0.013 0.014 +208 E 0.051 0.076 0.122 0.395 0.078 0.015 0.003 0.006 0.015 0.016 +209 L 0.000 0.001 0.006 0.013 0.001 0.009 0.000 0.000 0.001 0.000 +210 D 0.004 0.007 0.059 0.603 0.003 0.002 0.064 0.067 0.042 0.040 +211 G 0.005 0.010 0.092 0.404 0.004 0.009 0.000 0.002 0.003 0.001 +212 L 0.000 0.002 0.008 0.013 0.005 0.036 0.000 0.000 0.001 0.000 +213 V 0.001 0.001 0.013 0.371 0.000 0.001 0.000 0.001 0.002 0.001 +214 A 0.009 0.022 0.085 0.615 0.005 0.007 0.000 0.002 0.003 0.001 +215 R 0.039 0.069 0.121 0.405 0.040 0.039 0.007 0.011 0.017 0.012 +216 E 0.002 0.002 0.016 0.141 0.002 0.002 0.037 0.014 0.017 0.019 +217 M 0.008 0.014 0.065 0.605 0.006 0.007 0.000 0.005 0.005 0.002 +218 N 0.029 0.056 0.065 0.499 0.018 0.009 0.024 0.017 0.018 0.018 +219 G 0.003 0.006 0.013 0.115 0.008 0.002 0.002 0.007 0.010 0.005 +220 H 0.011 0.025 0.075 0.269 0.030 0.010 0.277 0.032 0.042 0.116 +221 K 0.006 0.014 0.031 0.079 0.018 0.007 0.003 0.013 0.021 0.011 +222 M 0.001 0.002 0.014 0.193 0.001 0.001 0.001 0.004 0.008 0.003 +223 I 0.000 0.000 0.003 0.023 0.000 0.002 0.000 0.000 0.001 0.000 +224 L 0.000 0.001 0.009 0.063 0.000 0.001 0.000 0.001 0.003 0.001 +225 P 0.000 0.000 0.004 0.026 0.000 0.001 0.000 0.001 0.004 0.001 +226 I 0.000 0.000 0.004 0.003 0.001 0.005 0.000 0.000 0.002 0.001 +227 W 0.001 0.002 0.039 0.061 0.001 0.001 0.000 0.002 0.017 0.002 +228 H 0.001 0.002 0.005 0.001 0.039 0.009 0.111 0.006 0.029 0.048 +229 K 0.001 0.003 0.005 0.001 0.009 0.002 0.003 0.004 0.008 0.007 +230 I 0.000 0.001 0.005 0.003 0.003 0.001 0.000 0.002 0.009 0.001 +231 T 0.002 0.003 0.018 0.023 0.003 0.001 0.000 0.005 0.046 0.005 +232 K 0.004 0.004 0.041 0.191 0.001 0.002 0.000 0.004 0.016 0.003 +233 N 0.002 0.004 0.011 0.038 0.002 0.000 0.005 0.013 0.024 0.010 +234 D 0.000 0.001 0.005 0.011 0.001 0.000 0.053 0.030 0.034 0.039 +235 V 0.000 0.000 0.003 0.008 0.000 0.001 0.000 0.001 0.003 0.001 +236 L 0.001 0.002 0.021 0.145 0.001 0.001 0.000 0.003 0.006 0.002 +237 D 0.001 0.002 0.012 0.130 0.001 0.000 0.094 0.064 0.039 0.056 +238 Y 0.003 0.002 0.008 0.078 0.001 0.001 0.000 0.004 0.011 0.003 +239 S 0.000 0.000 0.003 0.034 0.000 0.000 0.001 0.005 0.011 0.004 +240 P 0.001 0.002 0.022 0.299 0.001 0.001 0.000 0.008 0.012 0.002 +241 N 0.003 0.003 0.028 0.578 0.001 0.001 0.007 0.018 0.022 0.011 +242 L 0.000 0.000 0.004 0.039 0.000 0.001 0.000 0.001 0.003 0.001 +243 A 0.001 0.001 0.010 0.100 0.000 0.001 0.000 0.006 0.018 0.003 +244 D 0.002 0.004 0.030 0.468 0.001 0.001 0.012 0.049 0.032 0.014 +245 K 0.003 0.003 0.022 0.456 0.001 0.002 0.001 0.007 0.011 0.004 +246 V 0.001 0.002 0.031 0.230 0.001 0.001 0.000 0.007 0.011 0.002 +247 A 0.001 0.001 0.021 0.119 0.000 0.000 0.000 0.003 0.007 0.001 +248 L 0.001 0.001 0.032 0.116 0.001 0.001 0.000 0.001 0.004 0.001 +249 N 0.001 0.003 0.024 0.011 0.005 0.001 0.000 0.002 0.007 0.001 +250 T 0.000 0.001 0.009 0.001 0.004 0.001 0.001 0.003 0.011 0.003 +251 S 0.001 0.003 0.013 0.005 0.007 0.002 0.000 0.003 0.004 0.001 +252 V 0.001 0.003 0.033 0.045 0.003 0.001 0.000 0.002 0.004 0.001 +253 N 0.000 0.001 0.049 0.055 0.001 0.001 0.000 0.002 0.007 0.002 +254 S 0.001 0.001 0.007 0.001 0.004 0.001 0.000 0.002 0.006 0.002 +255 I 0.000 0.001 0.005 0.000 0.004 0.002 0.000 0.001 0.003 0.002 +256 E 0.000 0.001 0.005 0.002 0.002 0.001 0.121 0.023 0.022 0.065 +257 E 0.000 0.001 0.017 0.013 0.001 0.000 0.071 0.022 0.023 0.041 +258 I 0.000 0.000 0.005 0.003 0.001 0.002 0.000 0.000 0.002 0.001 +259 A 0.000 0.000 0.001 0.000 0.001 0.001 0.001 0.001 0.002 0.002 +260 H 0.001 0.003 0.009 0.007 0.004 0.001 0.388 0.076 0.095 0.293 +261 Q 0.001 0.002 0.046 0.105 0.001 0.000 0.008 0.012 0.015 0.011 +262 L 0.000 0.000 0.004 0.016 0.000 0.001 0.000 0.000 0.001 0.001 +263 A 0.000 0.000 0.002 0.001 0.000 0.000 0.008 0.004 0.006 0.007 +264 D 0.001 0.002 0.006 0.014 0.002 0.001 0.311 0.154 0.117 0.250 +265 V 0.000 0.001 0.006 0.069 0.000 0.000 0.000 0.003 0.005 0.002 +266 I 0.000 0.000 0.002 0.001 0.000 0.000 0.000 0.004 0.006 0.003 +267 L 0.000 0.001 0.006 0.003 0.001 0.000 0.007 0.049 0.034 0.020 +268 N 0.001 0.003 0.003 0.012 0.001 0.000 0.072 0.079 0.046 0.049 +269 R 0.003 0.008 0.008 0.046 0.004 0.002 0.007 0.014 0.015 0.010 diff --git a/conf/example/demo/pred/A0A011QK89.txt b/conf/example/demo/pred/A0A011QK89.txt new file mode 100644 index 0000000000000000000000000000000000000000..53b3765f8134685b59332aaf2d7f5b7f91bec1cd --- /dev/null +++ b/conf/example/demo/pred/A0A011QK89.txt @@ -0,0 +1,389 @@ +No. AA DNA_binding RNA_binding Peptide_binding Protein_binding ATP_binding HEM_binding ZN_binding CA_binding MG_binding MN_binding +1 M 0.041 0.049 0.293 0.723 0.003 0.006 0.001 0.005 0.002 0.001 +2 E 0.053 0.087 0.775 0.977 0.088 0.237 0.003 0.009 0.006 0.004 +3 S 0.044 0.067 0.325 0.726 0.005 0.004 0.001 0.013 0.005 0.003 +4 I 0.023 0.053 0.582 0.874 0.019 0.153 0.000 0.002 0.003 0.002 +5 E 0.006 0.009 0.069 0.397 0.001 0.000 0.015 0.020 0.006 0.006 +6 A 0.001 0.001 0.004 0.024 0.000 0.000 0.000 0.000 0.000 0.000 +7 V 0.001 0.001 0.010 0.066 0.001 0.003 0.000 0.000 0.001 0.000 +8 V 0.000 0.000 0.000 0.002 0.003 0.001 0.000 0.001 0.003 0.001 +9 I 0.001 0.005 0.002 0.004 0.463 0.013 0.000 0.003 0.013 0.003 +10 G 0.001 0.003 0.003 0.002 0.651 0.033 0.001 0.035 0.208 0.048 +11 A 0.002 0.006 0.016 0.015 0.687 0.021 0.000 0.010 0.056 0.015 +12 G 0.001 0.005 0.001 0.001 0.794 0.040 0.000 0.031 0.186 0.039 +13 V 0.001 0.004 0.001 0.001 0.113 0.007 0.000 0.006 0.027 0.003 +14 V 0.001 0.002 0.000 0.000 0.185 0.006 0.000 0.011 0.052 0.007 +15 G 0.000 0.000 0.000 0.000 0.062 0.004 0.000 0.005 0.021 0.005 +16 L 0.001 0.002 0.019 0.143 0.003 0.003 0.000 0.002 0.004 0.001 +17 A 0.000 0.000 0.000 0.001 0.000 0.000 0.001 0.002 0.003 0.001 +18 C 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.002 0.003 0.001 +19 A 0.000 0.000 0.006 0.024 0.000 0.002 0.000 0.000 0.001 0.000 +20 R 0.004 0.004 0.052 0.317 0.001 0.002 0.007 0.004 0.005 0.005 +21 E 0.000 0.000 0.000 0.006 0.000 0.000 0.078 0.039 0.028 0.021 +22 L 0.000 0.000 0.001 0.004 0.000 0.000 0.000 0.001 0.001 0.000 +23 A 0.001 0.001 0.059 0.301 0.000 0.001 0.001 0.003 0.007 0.003 +24 R 0.005 0.011 0.042 0.357 0.001 0.001 0.005 0.005 0.003 0.005 +25 R 0.002 0.003 0.002 0.033 0.000 0.000 0.003 0.006 0.004 0.004 +26 G 0.002 0.006 0.083 0.555 0.001 0.000 0.001 0.047 0.008 0.006 +27 F 0.003 0.004 0.025 0.201 0.001 0.001 0.001 0.004 0.003 0.002 +28 E 0.020 0.045 0.680 0.947 0.049 0.114 0.008 0.022 0.013 0.009 +29 T 0.003 0.003 0.169 0.471 0.002 0.005 0.000 0.004 0.006 0.002 +30 V 0.015 0.037 0.651 0.843 0.057 0.169 0.000 0.003 0.004 0.002 +31 I 0.003 0.005 0.132 0.405 0.053 0.027 0.000 0.003 0.006 0.001 +32 L 0.005 0.018 0.113 0.230 0.570 0.076 0.000 0.002 0.011 0.004 +33 E 0.004 0.017 0.012 0.023 0.774 0.047 0.009 0.003 0.051 0.045 +34 R 0.006 0.033 0.009 0.045 0.766 0.091 0.002 0.003 0.029 0.017 +35 H 0.010 0.037 0.013 0.091 0.456 0.042 0.140 0.005 0.029 0.045 +36 G 0.018 0.033 0.085 0.633 0.013 0.006 0.004 0.002 0.004 0.004 +37 A 0.015 0.034 0.068 0.705 0.028 0.014 0.001 0.004 0.011 0.002 +38 F 0.010 0.018 0.198 0.726 0.095 0.026 0.001 0.004 0.006 0.003 +39 G 0.002 0.004 0.003 0.029 0.179 0.011 0.000 0.006 0.018 0.005 +40 T 0.010 0.014 0.017 0.230 0.191 0.016 0.000 0.004 0.014 0.003 +41 E 0.004 0.011 0.001 0.002 0.484 0.017 0.022 0.009 0.065 0.033 +42 T 0.013 0.071 0.005 0.002 0.554 0.120 0.000 0.011 0.057 0.006 +43 S 0.005 0.028 0.004 0.003 0.454 0.046 0.000 0.014 0.089 0.015 +44 A 0.024 0.067 0.032 0.254 0.019 0.005 0.001 0.016 0.041 0.005 +45 R 0.072 0.112 0.066 0.113 0.066 0.018 0.001 0.010 0.029 0.006 +46 N 0.070 0.181 0.130 0.057 0.097 0.070 0.005 0.097 0.171 0.065 +47 S 0.209 0.326 0.284 0.070 0.046 0.197 0.020 0.099 0.105 0.078 +48 E 0.025 0.043 0.091 0.300 0.006 0.007 0.070 0.142 0.193 0.121 +49 V 0.060 0.135 0.093 0.023 0.021 0.119 0.009 0.043 0.091 0.045 +50 I 0.001 0.002 0.004 0.003 0.002 0.006 0.000 0.001 0.001 0.000 +51 H 0.481 0.494 0.502 0.079 0.112 0.388 0.043 0.057 0.089 0.099 +52 A 0.002 0.003 0.001 0.002 0.001 0.003 0.000 0.001 0.001 0.000 +53 G 0.001 0.002 0.001 0.001 0.000 0.002 0.000 0.000 0.001 0.000 +54 L 0.009 0.012 0.014 0.010 0.008 0.082 0.000 0.001 0.001 0.000 +55 Y 0.290 0.268 0.415 0.139 0.050 0.457 0.001 0.020 0.016 0.008 +56 Y 0.278 0.209 0.312 0.232 0.019 0.249 0.000 0.007 0.010 0.004 +57 P 0.088 0.079 0.030 0.302 0.001 0.003 0.000 0.001 0.002 0.000 +58 T 0.004 0.007 0.002 0.116 0.000 0.000 0.000 0.001 0.001 0.000 +59 D 0.003 0.005 0.002 0.070 0.000 0.000 0.015 0.004 0.003 0.002 +60 S 0.012 0.015 0.002 0.033 0.000 0.000 0.000 0.000 0.001 0.000 +61 L 0.002 0.003 0.001 0.010 0.000 0.001 0.000 0.000 0.000 0.000 +62 K 0.052 0.081 0.034 0.066 0.008 0.014 0.001 0.005 0.009 0.005 +63 A 0.000 0.000 0.000 0.002 0.000 0.000 0.000 0.000 0.000 0.000 +64 R 0.002 0.003 0.001 0.025 0.000 0.000 0.003 0.001 0.001 0.001 +65 L 0.000 0.000 0.000 0.002 0.000 0.001 0.000 0.000 0.000 0.000 +66 C 0.000 0.001 0.001 0.001 0.000 0.003 0.002 0.000 0.001 0.001 +67 V 0.000 0.001 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 +68 A 0.001 0.001 0.001 0.013 0.000 0.000 0.000 0.001 0.001 0.000 +69 G 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.001 0.001 0.000 +70 R 0.001 0.002 0.001 0.007 0.000 0.000 0.000 0.001 0.002 0.000 +71 Q 0.001 0.002 0.001 0.025 0.000 0.000 0.001 0.002 0.002 0.001 +72 Q 0.000 0.001 0.001 0.021 0.000 0.000 0.015 0.007 0.005 0.003 +73 L 0.000 0.000 0.000 0.001 0.000 0.001 0.000 0.000 0.000 0.000 +74 Y 0.001 0.001 0.001 0.012 0.000 0.000 0.000 0.000 0.001 0.000 +75 A 0.002 0.002 0.003 0.120 0.000 0.000 0.000 0.000 0.001 0.000 +76 F 0.002 0.001 0.018 0.319 0.000 0.001 0.004 0.001 0.001 0.002 +77 C 0.000 0.000 0.001 0.013 0.000 0.001 0.005 0.000 0.001 0.001 +78 A 0.001 0.001 0.004 0.245 0.000 0.000 0.001 0.001 0.001 0.001 +79 T 0.004 0.005 0.051 0.483 0.000 0.001 0.003 0.004 0.002 0.003 +80 H 0.014 0.011 0.163 0.735 0.005 0.010 0.229 0.013 0.009 0.027 +81 A 0.007 0.013 0.121 0.736 0.001 0.001 0.000 0.005 0.003 0.001 +82 I 0.002 0.003 0.072 0.679 0.000 0.002 0.001 0.002 0.002 0.001 +83 S 0.005 0.008 0.037 0.772 0.001 0.001 0.001 0.004 0.003 0.001 +84 H 0.001 0.002 0.004 0.220 0.000 0.000 0.019 0.004 0.005 0.003 +85 Q 0.001 0.004 0.004 0.306 0.000 0.000 0.001 0.004 0.005 0.001 +86 R 0.002 0.003 0.001 0.069 0.000 0.000 0.001 0.003 0.004 0.001 +87 C 0.000 0.001 0.001 0.014 0.000 0.000 0.001 0.001 0.001 0.000 +88 G 0.000 0.000 0.000 0.002 0.000 0.000 0.000 0.000 0.001 0.000 +89 K 0.061 0.134 0.150 0.068 0.069 0.331 0.005 0.014 0.031 0.021 +90 L 0.000 0.000 0.000 0.001 0.000 0.001 0.000 0.000 0.000 0.000 +91 V 0.000 0.001 0.001 0.002 0.000 0.005 0.000 0.000 0.001 0.000 +92 V 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.001 0.001 0.000 +93 A 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.001 0.000 +94 T 0.001 0.002 0.000 0.006 0.000 0.000 0.000 0.002 0.005 0.001 +95 S 0.002 0.003 0.000 0.006 0.000 0.000 0.000 0.001 0.002 0.001 +96 P 0.001 0.005 0.000 0.009 0.000 0.000 0.000 0.002 0.001 0.001 +97 A 0.004 0.007 0.000 0.035 0.000 0.000 0.000 0.001 0.001 0.000 +98 Q 0.008 0.007 0.001 0.021 0.000 0.000 0.000 0.001 0.005 0.001 +99 E 0.000 0.001 0.000 0.007 0.000 0.000 0.003 0.002 0.002 0.001 +100 S 0.003 0.008 0.001 0.047 0.000 0.000 0.000 0.001 0.001 0.000 +101 R 0.027 0.036 0.006 0.150 0.000 0.001 0.000 0.002 0.007 0.001 +102 L 0.000 0.000 0.000 0.002 0.000 0.000 0.000 0.000 0.000 0.000 +103 A 0.001 0.002 0.000 0.019 0.000 0.000 0.000 0.000 0.001 0.000 +104 A 0.007 0.023 0.003 0.109 0.000 0.000 0.000 0.000 0.001 0.000 +105 L 0.003 0.005 0.009 0.029 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"default_command": "bash scripts/run_gpu_infer.sh 0 ./conf/example/demo.fa ./results/", + "layout": { + "conf": "Datasets, examples, images, license, and archived dependency source files.", + "model": "GPSite fold checkpoints: fold0.ckpt to fold4.ckpt.", + "scripts": "Prediction, feature extraction, model definition, and run scripts.", + "weight": "External foundation-model weights used by ESMFold." + }, + "paths": { + "gpsite_root": "/public/home/scnb9biwet/jiangqq/GPSite-main", + "prottrans_path": "/public/home/scnb9biwet/jiangqq/UniKP-main/prot_t5_xl_uniref50", + "esmfold_hub_dir": "/public/home/scnb9biwet/jiangqq/GPSite-main/weight", + "esmfold_weight": "/public/home/scnb9biwet/jiangqq/GPSite-main/weight/checkpoints/esmfold_3B_v1.pt", + "esm2_weight": "/public/home/scnb9biwet/jiangqq/GPSite-main/weight/checkpoints/esm2_t36_3B_UR50D.pt", + "esm2_contact_regression_weight": "/public/home/scnb9biwet/jiangqq/GPSite-main/weight/checkpoints/esm2_t36_3B_UR50D-contact-regression.pt" + } +} 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+numpy==1.24.3 +pytorch==1.13.1 +pytorch-scatter==2.1.1 +pytorch-cluster==1.6.1 +pyg==2.3.0 +biopython==1.81 +fair-esm==2.0.0 +dllogger==1.0.0 +openfold==1.0.1 +sentencepiece==0.1.99 +transformers==4.30.1 +fair-esm[esmfold] +dllogger @ git+https://github.com/NVIDIA/dllogger.git +modelcif==0.7 +SentencePiece diff --git a/scripts/feature_extraction/Max_ProtTrans_repr.npy b/scripts/feature_extraction/Max_ProtTrans_repr.npy new file mode 100644 index 0000000000000000000000000000000000000000..d852e5b4ce57e672518a80fc77ed92e95675aba6 --- /dev/null +++ b/scripts/feature_extraction/Max_ProtTrans_repr.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e428e8ffc2f2350653e89a917dfad04ab232e5a328ae68904c403932cc7488f +size 4224 diff --git a/scripts/feature_extraction/Min_ProtTrans_repr.npy b/scripts/feature_extraction/Min_ProtTrans_repr.npy new file mode 100644 index 0000000000000000000000000000000000000000..353ead565b61d358084f736112d22fc79a939c82 --- /dev/null +++ b/scripts/feature_extraction/Min_ProtTrans_repr.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a96245d84e859a5eed13053850bb98a86c8b9b6db51cd5c89967a780055b7b49 +size 4224 diff --git a/scripts/feature_extraction/ProtTrans.py b/scripts/feature_extraction/ProtTrans.py new file mode 100644 index 0000000000000000000000000000000000000000..375453bd6eaca0c128847f9a8d1bde73cec4d98b --- /dev/null +++ b/scripts/feature_extraction/ProtTrans.py @@ -0,0 +1,38 @@ +import gc +from tqdm import tqdm +import torch +from transformers import T5Tokenizer, T5EncoderModel + + +def get_ProtTrans(ID_list, seq_list, Min_protrans, Max_protrans, ProtTrans_path, outpath, gpu): + # Load the vocabulary and ProtT5-XL-UniRef50 Model + tokenizer = T5Tokenizer.from_pretrained(ProtTrans_path, do_lower_case=False) + model = T5EncoderModel.from_pretrained(ProtTrans_path) + gc.collect() + + # Load the model into the GPU if avilabile and switch to inference mode + device = torch.device('cuda:' + gpu if torch.cuda.is_available() and gpu else 'cpu') + model = model.to(device) + model = model.eval() + + print("Extracting ProtTrans embeddings...") + for i in tqdm(range(len(ID_list))): + batch_ID_list = [ID_list[i]] # batch size = 1 + batch_seq_list = [" ".join(list(seq_list[i]))] + + # Tokenize, encode sequences and load it into the GPU if possibile + ids = tokenizer.batch_encode_plus(batch_seq_list, add_special_tokens=True, padding=True) + input_ids = torch.tensor(ids['input_ids']).to(device) + attention_mask = torch.tensor(ids['attention_mask']).to(device) + + # Extracting sequences' features and load it into the CPU if needed + with torch.no_grad(): + embedding = model(input_ids=input_ids,attention_mask=attention_mask) + embedding = embedding.last_hidden_state.cpu() + + # Remove padding (\) and special tokens (\) that is added by ProtT5-XL-UniRef50 model + for seq_num in range(len(embedding)): + seq_len = (attention_mask[seq_num] == 1).sum() + seq_emd = embedding[seq_num][:seq_len-1] + seq_emd = (seq_emd - Min_protrans) / (Max_protrans - Min_protrans) # normalization + torch.save(seq_emd, outpath + "ProtTrans/" + batch_ID_list[seq_num] + '.tensor') diff --git a/scripts/feature_extraction/esmfold.py b/scripts/feature_extraction/esmfold.py new file mode 100644 index 0000000000000000000000000000000000000000..1b6a106cac28da56a8ec6acbe463c1cb494d12b4 --- /dev/null +++ b/scripts/feature_extraction/esmfold.py @@ -0,0 +1,200 @@ +from pathlib import Path +import sys,os +import argparse +import logging +import sys +import typing as T +from pathlib import Path +from timeit import default_timer as timer + +import numpy as np +import torch + +import esm +from esm.data import read_fasta + +logger = logging.getLogger() +logger.setLevel(logging.INFO) + +formatter = logging.Formatter( + "%(asctime)s | %(levelname)s | %(name)s | %(message)s", + datefmt="%y/%m/%d %H:%M:%S", +) + +console_handler = logging.StreamHandler(sys.stdout) +console_handler.setLevel(logging.INFO) +console_handler.setFormatter(formatter) +logger.addHandler(console_handler) + + +PathLike = T.Union[str, Path] + + +def enable_cpu_offloading(model): + from torch.distributed.fsdp import CPUOffload, FullyShardedDataParallel + from torch.distributed.fsdp.wrap import enable_wrap, wrap + + torch.distributed.init_process_group( + backend="nccl", init_method="tcp://localhost:9999", world_size=1, rank=0 + ) + + wrapper_kwargs = dict(cpu_offload=CPUOffload(offload_params=True)) + + with enable_wrap(wrapper_cls=FullyShardedDataParallel, **wrapper_kwargs): + for layer_name, layer in model.layers.named_children(): + wrapped_layer = wrap(layer) + setattr(model.layers, layer_name, wrapped_layer) + model = wrap(model) + + return model + + +def init_model_on_gpu_with_cpu_offloading(model): + model = model.eval() + model_esm = enable_cpu_offloading(model.esm) + del model.esm + model.cuda() + model.esm = model_esm + return model + + +def create_batched_sequence_datasest( + sequences: T.List[T.Tuple[str, str]], max_tokens_per_batch: int = 1024 +) -> T.Generator[T.Tuple[T.List[str], T.List[str]], None, None]: + + batch_headers, batch_sequences, num_tokens = [], [], 0 + for header, seq in sequences: + if (len(seq) + num_tokens > max_tokens_per_batch) and num_tokens > 0: + yield batch_headers, batch_sequences + batch_headers, batch_sequences, num_tokens = [], [], 0 + batch_headers.append(header) + batch_sequences.append(seq) + num_tokens += len(seq) + + yield batch_headers, batch_sequences + + +def create_parser(): + parser = argparse.ArgumentParser() + parser.add_argument( + "-i", + "--fasta", + help="Path to input FASTA file", + type=Path, + required=True, + ) + parser.add_argument( + "-o", "--pdb", help="Path to output PDB directory", type=Path, required=True + ) + parser.add_argument( + "-m", "--model-dir", help="Parent path to Pretrained ESM data directory. ", type=Path, default=None + ) + parser.add_argument( + "--num-recycles", + type=int, + default=None, + help="Number of recycles to run. Defaults to number used in training (4).", + ) + parser.add_argument( + "--max-tokens-per-batch", + type=int, + default=1024, + help="Maximum number of tokens per gpu forward-pass. This will group shorter sequences together " + "for batched prediction. Lowering this can help with out of memory issues, if these occur on " + "short sequences.", + ) + parser.add_argument( + "--chunk-size", + type=int, + default=None, + help="Chunks axial attention computation to reduce memory usage from O(L^2) to O(L). " + "Equivalent to running a for loop over chunks of of each dimension. Lower values will " + "result in lower memory usage at the cost of speed. Recommended values: 128, 64, 32. " + "Default: None.", + ) + parser.add_argument("--cpu-only", help="CPU only", action="store_true") + parser.add_argument("--cpu-offload", help="Enable CPU offloading", action="store_true") + return parser + + +def run(args): + if not args.fasta.exists(): + raise FileNotFoundError(args.fasta) + + args.pdb.mkdir(exist_ok=True) + + # Read fasta and sort sequences by length + logger.info(f"Reading sequences from {args.fasta}") + all_sequences = sorted(read_fasta(args.fasta), key=lambda header_seq: len(header_seq[1])) + logger.info(f"Loaded {len(all_sequences)} sequences from {args.fasta}") + + logger.info("Loading model") + + # Use pre-downloaded ESM weights from model_pth. + if args.model_dir is not None: + # if pretrained model path is available + torch.hub.set_dir(args.model_dir) + + model = esm.pretrained.esmfold_v1() + + + model = model.eval() + model.set_chunk_size(args.chunk_size) + + if args.cpu_only: + model.esm.float() # convert to fp32 as ESM-2 in fp16 is not supported on CPU + model.cpu() + elif args.cpu_offload: + model = init_model_on_gpu_with_cpu_offloading(model) + else: + model.cuda() + logger.info("Starting Predictions") + batched_sequences = create_batched_sequence_datasest(all_sequences, args.max_tokens_per_batch) + + num_completed = 0 + num_sequences = len(all_sequences) + for headers, sequences in batched_sequences: + start = timer() + try: + output = model.infer(sequences, num_recycles=args.num_recycles) + except RuntimeError as e: + if e.args[0].startswith("CUDA out of memory"): + if len(sequences) > 1: + logger.info( + f"Failed (CUDA out of memory) to predict batch of size {len(sequences)}. " + "Try lowering `--max-tokens-per-batch`." + ) + else: + logger.info( + f"Failed (CUDA out of memory) on sequence {headers[0]} of length {len(sequences[0])}." + ) + + continue + raise + + output = {key: value.cpu() for key, value in output.items()} + pdbs = model.output_to_pdb(output) + tottime = timer() - start + time_string = f"{tottime / len(headers):0.1f}s" + if len(sequences) > 1: + time_string = time_string + f" (amortized, batch size {len(sequences)})" + for header, seq, pdb_string, mean_plddt, ptm in zip( + headers, sequences, pdbs, output["mean_plddt"], output["ptm"] + ): + output_file = args.pdb / f"{header}.pdb" + output_file.write_text(pdb_string) + num_completed += 1 + logger.info( + f"Predicted structure for {header} with length {len(seq)}, pLDDT {mean_plddt:0.1f}, " + f"pTM {ptm:0.3f} in {time_string}. " + f"{num_completed} / {num_sequences} completed." + ) + + +def main(): + parser = create_parser() + args = parser.parse_args() + run(args) + +if __name__ == "__main__": + main() diff --git a/scripts/feature_extraction/mkdssp b/scripts/feature_extraction/mkdssp new file mode 100644 index 0000000000000000000000000000000000000000..3c716a100e74c50dca874c4f567b53197388a25d --- /dev/null +++ b/scripts/feature_extraction/mkdssp @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ef5e4ba600ccdf7053a4f296846065181b04d44721927ce97f97c1fc7cd2dab3 +size 877904 diff --git a/scripts/feature_extraction/process_structure.py b/scripts/feature_extraction/process_structure.py new file mode 100644 index 0000000000000000000000000000000000000000..d8e1dc8d964a271d9d547ef7423a97a96f88d0ed --- /dev/null +++ b/scripts/feature_extraction/process_structure.py @@ -0,0 +1,86 @@ +import numpy as np +from Bio import pairwise2 + + +########## Process PDB file ########## +def get_pdb_xyz(pdb_file): + current_pos = -1000 + X = [] + current_aa = {} # N, CA, C, O, R + for line in pdb_file: + if (line[0:4].strip() == "ATOM" and int(line[22:26].strip()) != current_pos) or line[0:4].strip() == "TER": + if current_aa != {}: + R_group = [] + for atom in current_aa: + if atom not in ["N", "CA", "C", "O"]: + R_group.append(current_aa[atom]) + if R_group == []: + R_group = [current_aa["CA"]] + R_group = np.array(R_group).mean(0) + X.append([current_aa["N"], current_aa["CA"], current_aa["C"], current_aa["O"], R_group]) + current_aa = {} + if line[0:4].strip() != "TER": + current_pos = int(line[22:26].strip()) + + if line[0:4].strip() == "ATOM": + atom = line[13:16].strip() + if atom != "H": + xyz = np.array([line[30:38].strip(), line[38:46].strip(), line[46:54].strip()]).astype(np.float32) + current_aa[atom] = xyz + return np.array(X) + + +########## Get DSSP ########## +def process_dssp(dssp_file): + aa_type = "ACDEFGHIKLMNPQRSTVWY" + SS_type = "HBEGITSC" + rASA_std = [115, 135, 150, 190, 210, 75, 195, 175, 200, 170, + 185, 160, 145, 180, 225, 115, 140, 155, 255, 230] + + with open(dssp_file, "r") as f: + lines = f.readlines() + + seq = "" + dssp_feature = [] + + p = 0 + while lines[p].strip()[0] != "#": + p += 1 + for i in range(p + 1, len(lines)): + aa = lines[i][13] + if aa == "!" or aa == "*": + continue + seq += aa + SS = lines[i][16] + if SS == " ": + SS = "C" + SS_vec = np.zeros(8) + SS_vec[SS_type.find(SS)] = 1 + ASA = float(lines[i][34:38].strip()) + RSA = min(1, ASA / rASA_std[aa_type.find(aa)]) # relative solvent accessibility + dssp_feature.append(np.concatenate((np.array([RSA]), SS_vec))) + + return seq, dssp_feature + + +def match_dssp(seq, dssp, ref_seq): + alignments = pairwise2.align.globalxx(ref_seq, seq) + ref_seq = alignments[0].seqA + seq = alignments[0].seqB + + padded_item = np.zeros(9) + + new_dssp = [] + for aa in seq: + if aa == "-": + new_dssp.append(padded_item) + else: + new_dssp.append(dssp.pop(0)) + + matched_dssp = [] + for i in range(len(ref_seq)): + if ref_seq[i] == "-": + continue + matched_dssp.append(new_dssp[i]) + + return matched_dssp diff --git a/scripts/model.py b/scripts/model.py new file mode 100644 index 0000000000000000000000000000000000000000..0fe479b2d8dbc38988b55a6a0d2daafb4c6efd66 --- /dev/null +++ b/scripts/model.py @@ -0,0 +1,317 @@ +import numpy as np +import torch +import torch.nn as nn +import torch.nn.functional as F +import torch.utils.data as data +from torch_scatter import scatter_mean +import torch_geometric +from torch_geometric.nn import radius_graph, TransformerConv + + +############## Model ############## +class GNNLayer(nn.Module): + def __init__(self, num_hidden, dropout=0.2, num_heads=4): + super(GNNLayer, self).__init__() + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([nn.LayerNorm(num_hidden) for _ in range(2)]) + + self.attention = TransformerConv(in_channels=num_hidden, out_channels=int(num_hidden / num_heads), heads=num_heads, dropout = dropout, edge_dim = num_hidden, root_weight=False) + self.PositionWiseFeedForward = nn.Sequential( + nn.Linear(num_hidden, num_hidden*4), + nn.ReLU(), + nn.Linear(num_hidden*4, num_hidden) + ) + self.edge_update = EdgeMLP(num_hidden, dropout) + self.context = Context(num_hidden) + + def forward(self, h_V, edge_index, h_E, batch_id): + dh = self.attention(h_V, edge_index, h_E) + h_V = self.norm[0](h_V + self.dropout(dh)) + + # Position-wise feedforward + dh = self.PositionWiseFeedForward(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + + # update edge + h_E = self.edge_update(h_V, edge_index, h_E) + + # context node update + h_V = self.context(h_V, batch_id) + + return h_V, h_E + + +class EdgeMLP(nn.Module): + def __init__(self, num_hidden, dropout=0.2): + super(EdgeMLP, self).__init__() + self.dropout = nn.Dropout(dropout) + self.norm = nn.BatchNorm1d(num_hidden) + self.W11 = nn.Linear(3*num_hidden, num_hidden, bias=True) + self.W12 = nn.Linear(num_hidden, num_hidden, bias=True) + self.act = torch.nn.GELU() + + def forward(self, h_V, edge_index, h_E): + src_idx = edge_index[0] + dst_idx = edge_index[1] + + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W12(self.act(self.W11(h_EV))) + h_E = self.norm(h_E + self.dropout(h_message)) + return h_E + + +class Context(nn.Module): + def __init__(self, num_hidden): + super(Context, self).__init__() + + self.V_MLP_g = nn.Sequential( + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.Sigmoid() + ) + + def forward(self, h_V, batch_id): + c_V = scatter_mean(h_V, batch_id, dim=0) + h_V = h_V * self.V_MLP_g(c_V[batch_id]) + return h_V + + +class Graph_encoder(nn.Module): + def __init__(self, node_in_dim, edge_in_dim, hidden_dim, num_layers=4, drop_rate=0.2): + super(Graph_encoder, self).__init__() + + self.node_embedding = nn.Linear(node_in_dim, hidden_dim, bias=True) + self.edge_embedding = nn.Linear(edge_in_dim, hidden_dim, bias=True) + self.norm_nodes = nn.BatchNorm1d(hidden_dim) + self.norm_edges = nn.BatchNorm1d(hidden_dim) + + self.W_v = nn.Linear(hidden_dim, hidden_dim, bias=True) + self.W_e = nn.Linear(hidden_dim, hidden_dim, bias=True) + + self.layers = nn.ModuleList( + GNNLayer(num_hidden=hidden_dim, dropout=drop_rate, num_heads=4) + for _ in range(num_layers)) + + def forward(self, h_V, edge_index, h_E, batch_id): + h_V = self.W_v(self.norm_nodes(self.node_embedding(h_V))) + h_E = self.W_e(self.norm_edges(self.edge_embedding(h_E))) + + for layer in self.layers: + h_V, h_E = layer(h_V, edge_index, h_E, batch_id) + + return h_V + + +class GPSite(nn.Module): + def __init__(self, node_input_dim, edge_input_dim, hidden_dim, num_layers, augment_eps, dropout, task_list): + super(GPSite, self).__init__() + self.augment_eps = augment_eps + self.Graph_encoder = Graph_encoder(node_in_dim=node_input_dim, edge_in_dim=edge_input_dim, hidden_dim=hidden_dim, num_layers=num_layers, drop_rate=dropout) + + self.task_list = task_list + for task in self.task_list: + self.add_module("FC_{}1".format(task), nn.Linear(hidden_dim, hidden_dim, bias=True)) + self.add_module("FC_{}2".format(task), nn.Linear(hidden_dim, 1, bias=True)) + + # Initialization + for p in self.parameters(): + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + def forward(self, X, h_V, edge_index, batch_id): + # Data augmentation + if self.training and self.augment_eps > 0: + X = X + self.augment_eps * torch.randn_like(X) + h_V = h_V + self.augment_eps * torch.randn_like(h_V) + + h_V_geo, h_E = get_geo_feat(X, edge_index) + h_V = torch.cat([h_V, h_V_geo], dim=-1) + + h_V = self.Graph_encoder(h_V, edge_index, h_E, batch_id) # [num_residue, hidden_dim] + + output = [] + for task in self.task_list: + emb = F.elu(self._modules["FC_{}1".format(task)](h_V)) + emb = self._modules["FC_{}2".format(task)](emb) + output.append(emb) + + output = torch.cat(output, dim=1) + return output + + +############## DataLoader ############## +class ProteinGraphDataset(data.Dataset): + def __init__(self, ID_list, outpath, radius=15): + super(ProteinGraphDataset, self).__init__() + self.IDs = ID_list + self.path = outpath + self.radius = radius + + def __len__(self): return len(self.IDs) + + def __getitem__(self, idx): return self._featurize_graph(idx) + + def _featurize_graph(self, idx): + name = self.IDs[idx] + with torch.no_grad(): + X = torch.load(self.path + "pdb/" + name + ".tensor") + + prottrans_feat = torch.load(self.path + "ProtTrans/" + name + ".tensor") + dssp_feat = torch.load(self.path + 'DSSP/' + name + ".tensor") + pre_computed_node_feat = torch.cat([prottrans_feat, dssp_feat], dim=-1) + + X_ca = X[:, 1] + edge_index = radius_graph(X_ca, r=self.radius, loop=True, max_num_neighbors = 1000, num_workers = 8) + + graph_data = torch_geometric.data.Data(name=name, X=X, node_feat=pre_computed_node_feat, edge_index=edge_index) + return graph_data + + +############## Geometric Featurizer ############## +def get_geo_feat(X, edge_index): + pos_embeddings = _positional_embeddings(edge_index) + node_angles = _get_angle(X) + node_dist, edge_dist = _get_distance(X, edge_index) + node_direction, edge_direction, edge_orientation = _get_direction_orientation(X, edge_index) + + geo_node_feat = torch.cat([node_angles, node_dist, node_direction], dim=-1) + geo_edge_feat = torch.cat([pos_embeddings, edge_orientation, edge_dist, edge_direction], dim=-1) + + return geo_node_feat, geo_edge_feat + + +def _positional_embeddings(edge_index, num_embeddings=16): + d = edge_index[0] - edge_index[1] + + frequency = torch.exp( + torch.arange(0, num_embeddings, 2, dtype=torch.float32, device=edge_index.device) + * -(np.log(10000.0) / num_embeddings) + ) + angles = d.unsqueeze(-1) * frequency + PE = torch.cat((torch.cos(angles), torch.sin(angles)), -1) + return PE + +def _get_angle(X, eps=1e-7): + # psi, omega, phi + X = torch.reshape(X[:, :3], [3*X.shape[0], 3]) + dX = X[1:] - X[:-1] + U = F.normalize(dX, dim=-1) + u_2 = U[:-2] + u_1 = U[1:-1] + u_0 = U[2:] + + # Backbone normals + n_2 = F.normalize(torch.cross(u_2, u_1), dim=-1) + n_1 = F.normalize(torch.cross(u_1, u_0), dim=-1) + + # Angle between normals + cosD = torch.sum(n_2 * n_1, -1) + cosD = torch.clamp(cosD, -1 + eps, 1 - eps) + D = torch.sign(torch.sum(u_2 * n_1, -1)) * torch.acos(cosD) + D = F.pad(D, [1, 2]) # This scheme will remove phi[0], psi[-1], omega[-1] + D = torch.reshape(D, [-1, 3]) + dihedral = torch.cat([torch.cos(D), torch.sin(D)], 1) + + # alpha, beta, gamma + cosD = (u_2 * u_1).sum(-1) # alpha_{i}, gamma_{i}, beta_{i+1} + cosD = torch.clamp(cosD, -1 + eps, 1 - eps) + D = torch.acos(cosD) + D = F.pad(D, [1, 2]) + D = torch.reshape(D, [-1, 3]) + bond_angles = torch.cat((torch.cos(D), torch.sin(D)), 1) + + node_angles = torch.cat((dihedral, bond_angles), 1) + return node_angles # dim = 12 + +def _rbf(D, D_min=0., D_max=20., D_count=16): + ''' + Returns an RBF embedding of `torch.Tensor` `D` along a new axis=-1. + That is, if `D` has shape [...dims], then the returned tensor will have shape [...dims, D_count]. + ''' + D_mu = torch.linspace(D_min, D_max, D_count, device=D.device) + D_mu = D_mu.view([1, -1]) + D_sigma = (D_max - D_min) / D_count + D_expand = torch.unsqueeze(D, -1) + + RBF = torch.exp(-((D_expand - D_mu) / D_sigma) ** 2) + return RBF + +def _get_distance(X, edge_index): + atom_N = X[:,0] # [L, 3] + atom_Ca = X[:,1] + atom_C = X[:,2] + atom_O = X[:,3] + atom_R = X[:,4] + + node_list = ['Ca-N', 'Ca-C', 'Ca-O', 'N-C', 'N-O', 'O-C', 'R-N', 'R-Ca', "R-C", 'R-O'] + node_dist = [] + for pair in node_list: + atom1, atom2 = pair.split('-') + E_vectors = vars()['atom_' + atom1] - vars()['atom_' + atom2] + rbf = _rbf(E_vectors.norm(dim=-1)) + node_dist.append(rbf) + node_dist = torch.cat(node_dist, dim=-1) # dim = [N, 10 * 16] + + atom_list = ["N", "Ca", "C", "O", "R"] + edge_dist = [] + for atom1 in atom_list: + for atom2 in atom_list: + E_vectors = vars()['atom_' + atom1][edge_index[0]] - vars()['atom_' + atom2][edge_index[1]] + rbf = _rbf(E_vectors.norm(dim=-1)) + edge_dist.append(rbf) + edge_dist = torch.cat(edge_dist, dim=-1) # dim = [E, 25 * 16] + + return node_dist, edge_dist + +def _get_direction_orientation(X, edge_index): # N, CA, C, O, R + X_N = X[:,0] # [L, 3] + X_Ca = X[:,1] + X_C = X[:,2] + u = F.normalize(X_Ca - X_N, dim=-1) + v = F.normalize(X_C - X_Ca, dim=-1) + b = F.normalize(u - v, dim=-1) + n = F.normalize(torch.cross(u, v), dim=-1) + local_frame = torch.stack([b, n, torch.cross(b, n)], dim=-1) # [L, 3, 3] (3 column vectors) + + node_j, node_i = edge_index + + t = F.normalize(X[:, [0,2,3,4]] - X_Ca.unsqueeze(1), dim=-1) # [L, 4, 3] + node_direction = torch.matmul(t, local_frame).reshape(t.shape[0], -1) # [L, 4 * 3] + + t = F.normalize(X[node_j] - X_Ca[node_i].unsqueeze(1), dim=-1) # [E, 5, 3] + edge_direction_ji = torch.matmul(t, local_frame[node_i]).reshape(t.shape[0], -1) # [E, 5 * 3] + t = F.normalize(X[node_i] - X_Ca[node_j].unsqueeze(1), dim=-1) # [E, 5, 3] + edge_direction_ij = torch.matmul(t, local_frame[node_j]).reshape(t.shape[0], -1) # [E, 5 * 3] # slightly improve performance + edge_direction = torch.cat([edge_direction_ji, edge_direction_ij], dim = -1) # [E, 2 * 5 * 3] + + r = torch.matmul(local_frame[node_i].transpose(-1,-2), local_frame[node_j]) # [E, 3, 3] + edge_orientation = _quaternions(r) # [E, 4] + + return node_direction, edge_direction, edge_orientation + +def _quaternions(R): + """ Convert a batch of 3D rotations [R] to quaternions [Q] + R [E,3,3] + Q [E,4] + """ + diag = torch.diagonal(R, dim1=-2, dim2=-1) + Rxx, Ryy, Rzz = diag.unbind(-1) + magnitudes = 0.5 * torch.sqrt(torch.abs(1 + torch.stack([ + Rxx - Ryy - Rzz, + - Rxx + Ryy - Rzz, + - Rxx - Ryy + Rzz + ], -1))) + _R = lambda i,j: R[:,i,j] + signs = torch.sign(torch.stack([ + _R(2,1) - _R(1,2), + _R(0,2) - _R(2,0), + _R(1,0) - _R(0,1) + ], -1)) + xyz = signs * magnitudes + # The relu enforces a non-negative trace + w = torch.sqrt(F.relu(1 + diag.sum(-1, keepdim=True))) / 2. + Q = torch.cat((xyz, w), -1) + Q = F.normalize(Q, dim=-1) + + return Q diff --git a/scripts/predict.py b/scripts/predict.py new file mode 100644 index 0000000000000000000000000000000000000000..291e68e534a49664e7b92a3455638a0aeae24be1 --- /dev/null +++ b/scripts/predict.py @@ -0,0 +1,145 @@ +import numpy as np +from tqdm import tqdm +import os, argparse, datetime + +import torch +import torch_geometric +from torch_geometric.loader import DataLoader + +from feature_extraction.ProtTrans import get_ProtTrans +from feature_extraction.process_structure import get_pdb_xyz, process_dssp, match_dssp +from utils import * +from model import * + + +############ Set to your own path! ############ +ProtTrans_path = os.environ.get("PROTTRANS_PATH", "/data/user/yuanqm/tools/Prot-T5-XL-U50") +############################################### + +script_path = os.path.split(os.path.realpath(__file__))[0] + "/" +model_path = os.path.dirname(script_path[0:-1]) + "/model/" + + +def extract_feat(ID_list, seq_list, outpath, gpu): + max_len = max([len(seq) for seq in seq_list]) + chunk_size = 32 if max_len > 1000 else 64 + + esmfold_cmd = "python {}/feature_extraction/esmfold.py -i {} -o {} --chunk-size {}".format(script_path, outpath + "test_seq.fa", outpath + "pdb/", chunk_size) + esmfold_model_dir = os.environ.get("ESMFOLD_HUB_DIR") + if esmfold_model_dir: + esmfold_cmd += " -m {}".format(esmfold_model_dir) + if not gpu: # slow!! + esmfold_cmd += " --cpu-only" + else: + esmfold_cmd = "CUDA_VISIBLE_DEVICES=" + gpu + " " + esmfold_cmd + os.system(esmfold_cmd + " | tee {}/esmfold_pred.log".format(outpath)) + + Min_protrans = torch.tensor(np.load(script_path + "feature_extraction/Min_ProtTrans_repr.npy"), dtype = torch.float32) + Max_protrans = torch.tensor(np.load(script_path + "feature_extraction/Max_ProtTrans_repr.npy"), dtype = torch.float32) + get_ProtTrans(ID_list, seq_list, Min_protrans, Max_protrans, ProtTrans_path, outpath, gpu) + + print("Processing PDB files...") + for ID in tqdm(ID_list): + with open(outpath + "pdb/" + ID + ".pdb", "r") as f: + X = get_pdb_xyz(f.readlines()) # [L, 5, 3] + torch.save(torch.tensor(X, dtype = torch.float32), outpath + "pdb/" + ID + '.tensor') + + print("Extracting DSSP features...") + for i in tqdm(range(len(ID_list))): + ID = ID_list[i] + seq = seq_list[i] + + os.system("{}/feature_extraction/mkdssp -i {}/pdb/{}.pdb -o {}/DSSP/{}.dssp".format(script_path, outpath, ID, outpath, ID)) + dssp_seq, dssp_matrix = process_dssp("{}/DSSP/{}.dssp".format(outpath, ID)) + if dssp_seq != seq: + dssp_matrix = match_dssp(dssp_seq, dssp_matrix, seq) + + torch.save(torch.tensor(np.array(dssp_matrix), dtype = torch.float32), "{}/DSSP/{}.tensor".format(outpath, ID)) + os.system("rm {}/DSSP/{}.dssp".format(outpath, ID)) + + +def predict(ID_list, outpath, batch, gpu): + device = torch.device('cuda:' + gpu if torch.cuda.is_available() and gpu else 'cpu') + + node_input_dim = nn_config['node_input_dim'] + edge_input_dim = nn_config['edge_input_dim'] + hidden_dim = nn_config['hidden_dim'] + layer = nn_config['layer'] + augment_eps = nn_config['augment_eps'] + dropout = nn_config['dropout'] + + task_list = ["PRO", "PEP", "DNA", "RNA", "ZN", "CA", "MG", "MN", "ATP", "HEME"] + + # Test + test_dataset = ProteinGraphDataset(ID_list, outpath) + test_dataloader = DataLoader(test_dataset, batch_size = batch, shuffle=False, drop_last=False, num_workers=8, prefetch_factor=2) + + models = [] + for fold in range(5): + state_dict = torch.load(model_path + 'fold%s.ckpt'%fold, device) + model = GPSite(node_input_dim, edge_input_dim, hidden_dim, layer, augment_eps, dropout, task_list).to(device) + model.load_state_dict(state_dict) + model.eval() + models.append(model) + + test_pred_dict = {} + for data in tqdm(test_dataloader): + data = data.to(device) + + with torch.no_grad(): + outputs = [model(data.X, data.node_feat, data.edge_index, data.batch).sigmoid() for model in models] + outputs = torch.stack(outputs,0).mean(0) # average the predictions from 5 models + + IDs = data.name + outputs_split = torch_geometric.utils.unbatch(outputs, data.batch) + for i, ID in enumerate(IDs): + test_pred_dict[ID] = [] + for j in range(len(task_list)): + test_pred_dict[ID].append(list(outputs_split[i][:,j].detach().cpu().numpy())) + + return test_pred_dict + + +def main(seq_info, outpath, batch, gpu): + ID_list, seq_list = seq_info + for dir_name in ["pdb", "ProtTrans", "DSSP", "pred"]: + os.makedirs(outpath + dir_name, exist_ok = True) + + print("\n######## Feature extraction begins at {}. ########\n".format(datetime.datetime.now().strftime("%m-%d %H:%M"))) + + extract_feat(ID_list, seq_list, outpath, gpu) + + print("\n######## Feature extraction is done at {}. ########\n".format(datetime.datetime.now().strftime("%m-%d %H:%M"))) + + print("\n######## Prediction begins at {}. ########\n".format(datetime.datetime.now().strftime("%m-%d %H:%M"))) + + predictions = predict(ID_list, outpath, batch, gpu) + + print("\n######## Prediction is done at {}. ########\n".format(datetime.datetime.now().strftime("%m-%d %H:%M"))) + + export_predictions(predictions, seq_list, outpath) + + print("\n######## Results are saved in {} ########\n".format(outpath + "pred/")) + + + +if __name__ == '__main__': + parser = argparse.ArgumentParser() + parser.add_argument("-i", "--fasta", type = str, help = "Input fasta file", required=True) + parser.add_argument("-o", "--outpath", type = str, help = "Output path to save intermediate files and final predictions", required=True) + parser.add_argument("-b", "--batch", type = int, default = 4, help = "Batch size for GPSite prediction") + parser.add_argument("--gpu", type = str, default = None, help = "The GPU id used for feature extraction and binding site prediction") + + args = parser.parse_args() + run_id = args.fasta.split("/")[-1].split(".")[0].replace(" ", "_") + outpath = args.outpath + "/" + run_id + "/" + os.makedirs(outpath, exist_ok = True) + + seq_info = process_fasta(args.fasta, outpath) + + if seq_info == -1: + print("The format of your input fasta file is incorrect! Please check!") + elif seq_info == 1: + print("Too much sequences! Up to {} sequences are supported each time!".format(MAX_INPUT_SEQ)) + else: + main(seq_info, outpath, args.batch, args.gpu) diff --git a/scripts/run_infer.sh b/scripts/run_infer.sh new file mode 100644 index 0000000000000000000000000000000000000000..4972c376a6bd2c09d876f8988cd7419e4a8f5e79 --- /dev/null +++ b/scripts/run_infer.sh @@ -0,0 +1,52 @@ +#!/usr/bin/env bash +set -euo pipefail + +# Run this script inside an already prepared GPU environment/node. +# It does not request a compute node. + +cd /public/home/scnb9biwet/jiangqq/GPSite-main + +GPU_ID="${1:-0}" +INPUT_FASTA="${2:-./conf/example/demo.fa}" +OUT_DIR="${3:-./results/}" + +PROTTRANS_DIR="/path/to/prot_t5_xl_uniref50" +ESMFOLD_HUB_DIR="/path/to/weight" +ESMFOLD_WEIGHT="${ESMFOLD_HUB_DIR}/checkpoints/esmfold_3B_v1.pt" +ESM2_WEIGHT="${ESMFOLD_HUB_DIR}/checkpoints/esm2_t36_3B_UR50D.pt" + +if [ ! -d "${PROTTRANS_DIR}" ]; then + echo "ERROR: ProtTrans directory not found: ${PROTTRANS_DIR}" >&2 + exit 1 +fi + +if [ ! -f "${ESMFOLD_WEIGHT}" ]; then + echo "ERROR: ESMFold weight not found: ${ESMFOLD_WEIGHT}" >&2 + exit 1 +fi + +if [ ! -f "${ESM2_WEIGHT}" ]; then + echo "ERROR: ESM2 weight not found: ${ESM2_WEIGHT}" >&2 + exit 1 +fi + +if [ ! -f "${INPUT_FASTA}" ]; then + echo "ERROR: input FASTA not found: ${INPUT_FASTA}" >&2 + exit 1 +fi + +chmod +x ./scripts/feature_extraction/mkdssp + +export PROTTRANS_PATH="${PROTTRANS_DIR}" +export ESMFOLD_HUB_DIR="${ESMFOLD_HUB_DIR}" + +echo "Using GPU: ${GPU_ID}" +echo "Input FASTA: ${INPUT_FASTA}" +echo "Output directory: ${OUT_DIR}" +echo "ProtTrans: ${PROTTRANS_DIR}" +echo "ESMFold hub dir: ${ESMFOLD_HUB_DIR}" + +python ./scripts/predict.py \ + -i "${INPUT_FASTA}" \ + -o "${OUT_DIR}" \ + --gpu "${GPU_ID}" diff --git a/scripts/utils.py b/scripts/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..a2a1c5560a2da1060742d0bdf805fab8ded721c3 --- /dev/null +++ b/scripts/utils.py @@ -0,0 +1,172 @@ +import string, os +import numpy as np + +MAX_INPUT_SEQ = 1000 +MAX_SEQ_LEN = 2000 + +nn_config = { + 'node_input_dim': 1024 + 9 + 184, + 'edge_input_dim': 450, + 'hidden_dim': 128, + 'layer': 4, + 'augment_eps': 0.1, + 'dropout': 0.2 +} + + +# deal with IDs with different formats: e.g. "sp|P05067|A4_HUMAN Amyloid-beta precursor protein" (UniProt), "7PRW_1|Chains A, B|Glucocorticoid receptor|Homo sapiens" (PDB) +def get_ID(name): + name = name.split("|") + ID = "_".join(name[0:min(2, len(name))]) + ID = ID.replace(" ", "_") + return ID + + +def remove_non_standard_aa(seq): + standard_aa = "ACDEFGHIKLMNPQRSTVWY" + new_seq = "" + for aa in seq: + if aa in standard_aa: + new_seq += aa + return new_seq + + +def process_fasta(fasta_file, outpath): + ID_list = [] + seq_list = [] + + with open(fasta_file, "r") as f: + lines = f.readlines() + for line in lines: + if line[0] == ">": + ID_list.append(get_ID(line[1:-1])) + elif line[0] in string.ascii_letters: + seq = line.strip().upper() + seq = remove_non_standard_aa(seq) + seq_list.append(seq[0:min(MAX_SEQ_LEN, len(seq))]) # trim long sequence + + if len(ID_list) == len(seq_list): + if len(ID_list) > MAX_INPUT_SEQ: + return 1 + else: + new_fasta = "" # with processed IDs and seqs + for i in range(len(ID_list)): + new_fasta += (">" + ID_list[i] + "\n" + seq_list[i] + "\n") + with open(outpath + "test_seq.fa", "w") as f: + f.write(new_fasta) + + return [ID_list, seq_list] + else: + return -1 + + +def export_predictions(predictions, seq_list, outpath): + # original order: ["PRO", "PEP", "DNA", "RNA", "ZN", "CA", "MG", "MN", "ATP", "HEME"] + thresholds = [0.35, 0.47, 0.41, 0.46, 0.73, 0.57, 0.44, 0.65, 0.51, 0.61] # select by maximizing MCC on the cross validation + index = [2, 3, 1, 0, 8, 9, 4, 5, 6, 7] # switch order to ["DNA", "RNA", "PEP", "PRO", "ATP", "HEME", "ZN", "CA", "MG", "MN"] + GPSite_binding_scores = {} + + for i, ID in enumerate(predictions): + seq = seq_list[i] + preds = predictions[ID] + norm_preds = [] + binding_scores = [] # protein-level binding scores + + for lig_idx, pred in enumerate(preds): + threshold = thresholds[lig_idx] + + norm_pred = [] + for score in pred: + if score > threshold: + norm_score = (score - threshold) / (1 - threshold) * 0.5 + 0.5 + else: + norm_score = (score / threshold) * 0.5 + norm_pred.append(norm_score) + norm_preds.append(norm_pred) + + if lig_idx in [4, 5, 6, 7]: # metal ions + k = 5 + else: + k = 10 + k = min(k, len(seq)) + + idx = np.argpartition(norm_pred, -k)[-k:] + topk_norm_sores = np.array(norm_pred)[idx] + binding_scores.append(topk_norm_sores.mean()) + + GPSite_binding_scores[ID] = binding_scores + + + pred_txt = "No.\tAA\tDNA_binding\tRNA_binding\tPeptide_binding\tProtein_binding\tATP_binding\tHEM_binding\tZN_binding\tCA_binding\tMG_binding\tMN_binding\n" + for j in range(len(seq)): + pred_txt += "{}\t{}".format(j+1, seq[j]) # 1-based + + for idx in index: + norm_score = norm_preds[idx][j] + pred_txt += "\t{:.3f}".format(norm_score) + + pred_txt += "\n" + + with open("{}/pred/{}.txt".format(outpath, ID), "w") as f: + f.write(pred_txt) + + + # export the predictions to a pdb file (for the visualization in the server) + ''' + score_lines = [] + for j in range(len(seq)): + score_line = "" + for idx in index: + score = norm_preds[idx][j] + score = "{:.2f}".format(score * 100) + score = " " * (6 - len(score)) + score + score_line += score + score_lines.append(score_line) + + with open("{}/pdb/{}.pdb".format(outpath, ID), "r") as f: + lines = f.readlines() + + current_pos = -1 + new_pdb = "" + for line in lines: + if line[0:4] != "ATOM": + continue + if int(line[22:26].strip()) != current_pos: + current_pos = int(line[22:26].strip()) + score_line = score_lines.pop(0) + new_line = line[0:60] + score_line + " " + line.strip()[-1] + " \n" + new_pdb += new_line + new_pdb += "TER\n" + + with open("{}/pred/{}.pdb".format(outpath, ID), "w") as f: + f.write(new_pdb) + ''' + + + with open(outpath + "esmfold_pred.log", "r") as f: + lines = f.readlines() + + info_dict = {} + for line in lines: + if "pLDDT" in line: + ID_len, pLDDT, pTM = line.strip().split("|")[-1].strip().split(",")[0:3] + ID = ID_len.strip().split()[3] + length = ID_len.strip().split()[6] + pLDDT = float(pLDDT.strip().split()[1]) + pTM = float(pTM.strip().split()[1]) + info_dict[ID] = [length, pLDDT, pTM] + + entry_info = "ID\tLength\tpLDDT\tpTM\tDNA_Binding\tRNA_Binding\tPeptide_Binding\tProtein_Binding\tATP_Binding\tHEM_Binding\tZN_Binding\tCA_Binding\tMG_Binding\tMN_Binding\n" + for ID in predictions: + Length, pLDDT, pTM = info_dict[ID] + binding_scores = GPSite_binding_scores[ID] + binding_scores = np.array(binding_scores)[index] # switch order to DNA, RNA, PEP ... + entry = "{}\t{}\t{}\t{:.3f}".format(ID, Length, pLDDT, pTM) + for score in binding_scores: + entry += "\t{:.3f}".format(score) + entry_info += (entry + "\n") + + with open("{}/pred/overview.txt".format(outpath), "w") as f: + f.write(entry_info) + + os.system("rm {}/esmfold_pred.log".format(outpath)) diff --git a/weight/checkpoints/esm2_t36_3B_UR50D-contact-regression.pt b/weight/checkpoints/esm2_t36_3B_UR50D-contact-regression.pt new file mode 100644 index 0000000000000000000000000000000000000000..042e38b40e9a0e0549e419f2aa2477f97b4d1121 --- /dev/null +++ b/weight/checkpoints/esm2_t36_3B_UR50D-contact-regression.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4da500eab246481dc9c8c95bc7b1d02f2803d761c380b0e95186d4a07d0fc84e +size 6759