diff --git a/LICENSE b/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..fbb83b08d35cfbd2f598fa69f7eda783d74cd849 --- /dev/null +++ b/LICENSE @@ -0,0 +1,21 @@ +MIT License + +Copyright (c) 2022 Justas Dauparas, Simon Duerr + +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/ProteinMPNN/.gitignore b/ProteinMPNN/.gitignore new file mode 100644 index 0000000000000000000000000000000000000000..b6e47617de110dea7ca47e087ff1347cc2646eda --- /dev/null +++ b/ProteinMPNN/.gitignore @@ -0,0 +1,129 @@ +# Byte-compiled / optimized / DLL files +__pycache__/ +*.py[cod] +*$py.class + +# C extensions +*.so + +# Distribution / packaging +.Python +build/ +develop-eggs/ +dist/ +downloads/ +eggs/ +.eggs/ +lib/ +lib64/ +parts/ +sdist/ +var/ +wheels/ +pip-wheel-metadata/ +share/python-wheels/ +*.egg-info/ +.installed.cfg +*.egg +MANIFEST + +# PyInstaller +# Usually these files are written by a python script from a template +# before PyInstaller builds the exe, so as to inject date/other infos into it. +*.manifest +*.spec + +# Installer logs +pip-log.txt +pip-delete-this-directory.txt + +# Unit test / coverage reports +htmlcov/ +.tox/ +.nox/ +.coverage +.coverage.* +.cache +nosetests.xml +coverage.xml +*.cover +*.py,cover +.hypothesis/ +.pytest_cache/ + +# Translations +*.mo +*.pot + +# Django stuff: +*.log +local_settings.py +db.sqlite3 +db.sqlite3-journal + +# Flask stuff: +instance/ +.webassets-cache + +# Scrapy stuff: +.scrapy + +# Sphinx documentation +docs/_build/ + +# PyBuilder +target/ + +# Jupyter Notebook +.ipynb_checkpoints + +# IPython +profile_default/ +ipython_config.py + +# pyenv +.python-version + +# pipenv +# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. +# However, in case of collaboration, if having platform-specific dependencies or dependencies +# having no cross-platform support, pipenv may install dependencies that don't work, or not +# install all needed dependencies. +#Pipfile.lock + +# PEP 582; used by e.g. github.com/David-OConnor/pyflow +__pypackages__/ + +# Celery stuff +celerybeat-schedule +celerybeat.pid + +# SageMath parsed files +*.sage.py + +# Environments +.env +.venv +env/ +venv/ +ENV/ +env.bak/ +venv.bak/ + +# Spyder project settings +.spyderproject +.spyproject + +# Rope project settings +.ropeproject + +# mkdocs documentation +/site + +# mypy +.mypy_cache/ +.dmypy.json +dmypy.json + +# Pyre type checker +.pyre/ diff --git a/ProteinMPNN/LICENSE b/ProteinMPNN/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..553804ee1b65bdebb4f971b1ba226b15e1e2623b --- /dev/null +++ b/ProteinMPNN/LICENSE @@ -0,0 +1,21 @@ +MIT License + +Copyright (c) 2022 Justas Dauparas + +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/ProteinMPNN/README.md b/ProteinMPNN/README.md new file mode 100644 index 0000000000000000000000000000000000000000..71f899f6514e43a6915a52c37f210047be21d8b7 --- /dev/null +++ b/ProteinMPNN/README.md @@ -0,0 +1,151 @@ +# ProteinMPNN +![ProteinMPNN](https://docs.google.com/drawings/d/e/2PACX-1vTtnMBDOq8TpHIctUfGN8Vl32x5ISNcPKlxjcQJF2q70PlaH2uFlj2Ac4s3khnZqG1YxppdMr0iTyk-/pub?w=889&h=358) +Read [ProteinMPNN paper](https://www.biorxiv.org/content/10.1101/2022.06.03.494563v1). + +To run ProteinMPNN clone this github repo and install Python>=3.0, PyTorch, Numpy. + +Full protein backbone models: `vanilla_proteinmpnn`. + +Code organization: +* `vanilla_proteinmpnn/protein_mpnn_run.py` - the main script to initialialize and run the model. +* `vanilla_proteinmpnn/protein_mpnn_utils.py` - utility functions for the main script. +* `vanilla_proteinmpnn/helper_scripts/` - helper functions to parse PDBs, assign which chains to design, which residues to fix, adding AA bias, tying residues etc. +* `vanilla_proteinmpnn/examples/` - simple code examples. +----------------------------------------------------------------------------------------------------- +Input flags: +``` +argparser.add_argument("--path_to_model_weights", type=str, default="", help="Path to model weights folder;") +argparser.add_argument("--model_name", type=str, default="v_48_020", help="ProteinMPNN model name: v_48_002, v_48_010, v_48_020, v_48_030; v_48_010=version with 48 edges 0.10A noise") + +argparser.add_argument("--save_score", type=int, default=0, help="0 for False, 1 for True; save score=-mean[log_probs] to npy files") +argparser.add_argument("--save_probs", type=int, default=0, help="0 for False, 1 for True; save MPNN predicted probabilites per position") +argparser.add_argument("--score_only", type=int, default=0, help="0 for False, 1 for True; score input backbone-sequence pairs") +argparser.add_argument("--conditional_probs_only", type=int, default=0, help="0 for False, 1 for True; output conditional probabilities p(s_i given the rest of the sequence and backbone)") +argparser.add_argument("--conditional_probs_only_backbone", type=int, default=0, help="0 for False, 1 for True; if true output conditional probabilities p(s_i given backbone)") + +argparser.add_argument("--backbone_noise", type=float, default=0.00, help="Standard deviation of Gaussian noise to add to backbone atoms during the inference.") +argparser.add_argument("--num_seq_per_target", type=int, default=1, help="Number of sequences to generate per target.") +argparser.add_argument("--batch_size", type=int, default=1, help="Batch size when using GPUs.") +argparser.add_argument("--max_length", type=int, default=20000, help="Maximum sequence length.") +argparser.add_argument("--sampling_temp", type=str, default="0.1", help="A string of temperatures, 0.1 0.3 0.5. Sampling temperature for amino acids, T=0.0 means taking argmax, T>>1.0 means sampling randomly.") + +argparser.add_argument("--out_folder", type=str, help="Path to a folder to output sequences, e.g. /home/out/") +argparser.add_argument("--pdb_path", type=str, default='', help="Path to a single PDB to be designed.") +argparser.add_argument("--pdb_path_chains", type=str, default='', help="Define which chains need to be designed for a single PDB.") +argparser.add_argument("--jsonl_path", type=str, help="Path to a folder with parsed PDBs into jsonl.") +argparser.add_argument("--chain_id_jsonl",type=str, default='', help="Path to a dictionary specifying which chains need to be designed and which ones are fixed, if not specied all chains will be designed.") +argparser.add_argument("--fixed_positions_jsonl", type=str, default='', help="Path to a dictionary with fixed positions.") +argparser.add_argument("--omit_AAs", type=list, default='X', help="Specify which amino acids should be omitted in the generated sequence, e.g. 'AC' would omit alanine and cystine.") +argparser.add_argument("--bias_AA_jsonl", type=str, default='', help="Path to a dictionary which specifies AA composion bias, e.g. {A: -1.1, F: 0.7} would make A less likely and F more likely.") +argparser.add_argument("--bias_by_res_jsonl", default='', help="Path to dictionary with per position bias.") +argparser.add_argument("--omit_AA_jsonl", type=str, default='', help="Path to a dictionary which specifies which amino acids need to be omited from design at specific chain indices.") +argparser.add_argument("--pssm_jsonl", type=str, default='', help="Path to a dictionary with pssm.") +argparser.add_argument("--pssm_multi", type=float, default=0.0, help="A value between [0.0, 1.0], 0.0 means do not use pssm, 1.0 ignore MPNN predictions.") +argparser.add_argument("--pssm_threshold", type=float, default=0.0, help="A value between -inf + inf to restric per position AAs.") +argparser.add_argument("--pssm_log_odds_flag", type=int, default=0, help="0 for False, 1 for True.") +argparser.add_argument("--pssm_bias_flag", type=int, default=0, help="0 for False, 1 for True.") +argparser.add_argument("--tied_positions_jsonl", type=str, default='', help="Path to a dictionary with tied positions for symmetric design.") +``` +----------------------------------------------------------------------------------------------------- +Example from `vanilla_proteinmpnn/examples/` to design a single PDB file: +``` +path_to_PDB="../PDB_complexes/pdbs/3HTN.pdb" + +output_dir="../PDB_complexes/example_3_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +chains_to_design="A B" #design only chains A and B while using the context of other chains + +python ../protein_mpnn_run.py \ + --pdb_path $path_to_PDB \ + --pdb_path_chains "$chains_to_design" \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 +``` +----------------------------------------------------------------------------------------------------- +Example from `vanilla_proteinmpnn/examples/` to design some monomers: +``` +folder_with_pdbs="../PDB_monomers/pdbs/" + +output_dir="../PDB_monomers/example_1_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 +``` +----------------------------------------------------------------------------------------------------- +Example from `vanilla_proteinmpnn/examples/` to design some homomers: +``` +folder_with_pdbs="../PDB_homooligomers/pdbs/" + +output_dir="../PDB_homooligomers/example_6_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_tied_positions=$output_dir"/tied_pdbs.jsonl" + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../helper_scripts/make_tied_positions_dict.py --input_path=$path_for_parsed_chains --output_path=$path_for_tied_positions --homooligomer 1 + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --tied_positions_jsonl $path_for_tied_positions \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.2" \ + --batch_size 1 +``` +----------------------------------------------------------------------------------------------------- +Example from `vanilla_proteinmpnn/examples/` to design some complexes: +``` +folder_with_pdbs="../PDB_complexes/pdbs/" + +output_dir="../PDB_complexes/example_4_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_assigned_chains=$output_dir"/assigned_pdbs.jsonl" +path_for_fixed_positions=$output_dir"/fixed_pdbs.jsonl" +chains_to_design="A C" +#The first amino acid in the chain corresponds to 1 and not PDB residues index for now. +fixed_positions="1 2 3 4 5 6 7 8 23 25, 10 11 12 13 14 15 16 17 18 19 20 40" #fixing/not designing residues 1 2 3...25 in chain A and residues 10 11 12...40 in chain C + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../helper_scripts/assign_fixed_chains.py --input_path=$path_for_parsed_chains --output_path=$path_for_assigned_chains --chain_list "$chains_to_design" + +python ../helper_scripts/make_fixed_positions_dict.py --input_path=$path_for_parsed_chains --output_path=$path_for_fixed_positions --chain_list "$chains_to_design" --position_list "$fixed_positions" + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --chain_id_jsonl $path_for_assigned_chains \ + --fixed_positions_jsonl $path_for_fixed_positions \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 +``` + diff --git a/ProteinMPNN/colab_notebooks/README.md b/ProteinMPNN/colab_notebooks/README.md new file mode 100644 index 0000000000000000000000000000000000000000..894645f04740b0dc56805ab58ad2df0556fe29a2 --- /dev/null +++ b/ProteinMPNN/colab_notebooks/README.md @@ -0,0 +1 @@ +Open In Colab diff --git a/ProteinMPNN/colab_notebooks/quickdemo.ipynb b/ProteinMPNN/colab_notebooks/quickdemo.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..8016e829dbece7cdc71aa96a6940e16ddd99e606 --- /dev/null +++ b/ProteinMPNN/colab_notebooks/quickdemo.ipynb @@ -0,0 +1,322 @@ +{ + "nbformat": 4, + "nbformat_minor": 0, + "metadata": { + "colab": { + "name": "quickdemo.ipynb", + "provenance": [], + "include_colab_link": true + }, + "kernelspec": { + "name": "python3", + "display_name": "Python 3" + }, + "language_info": { + "name": "python" + } + }, + "cells": [ + { + "cell_type": "markdown", + "metadata": { + "id": "view-in-github", + "colab_type": "text" + }, + "source": [ + "\"Open" + ] + }, + { + "cell_type": "markdown", + "source": [ + "#ProteinMPNN\n", + "This notebook is intended as a quick demo, more features to come!" + ], + "metadata": { + "id": "AYZebfKn8gef" + } + }, + { + "cell_type": "code", + "source": [ + "#@title Setup Model\n", + "import json, time, os, sys, glob\n", + "\n", + "if not os.path.isdir(\"ProteinMPNN\"):\n", + " os.system(\"git clone -q https://github.com/dauparas/ProteinMPNN.git\")\n", + "sys.path.append('/content/ProteinMPNN/vanilla_proteinmpnn')\n", + "\n", + "import matplotlib.pyplot as plt\n", + "import shutil\n", + "import warnings\n", + "import numpy as np\n", + "import torch\n", + "from torch import optim\n", + "from torch.utils.data import DataLoader\n", + "from torch.utils.data.dataset import random_split, Subset\n", + "import copy\n", + "import torch.nn as nn\n", + "import torch.nn.functional as F\n", + "import random\n", + "import os.path\n", + "from protein_mpnn_utils import loss_nll, loss_smoothed, gather_edges, gather_nodes, gather_nodes_t, cat_neighbors_nodes, _scores, _S_to_seq, tied_featurize, parse_PDB\n", + "from protein_mpnn_utils import StructureDataset, StructureDatasetPDB, ProteinMPNN\n", + "\n", + "device = torch.device(\"cuda:0\" if (torch.cuda.is_available()) else \"cpu\")\n", + "model_name=\"v_48_020\" # ProteinMPNN model name: v_48_002, v_48_010, v_48_020, v_48_030, v_32_002, v_32_010; v_32_020, v_32_030; v_48_010=version with 48 edges 0.10A noise\n", + "backbone_noise=0.00 # Standard deviation of Gaussian noise to add to backbone atoms\n", + "\n", + "path_to_model_weights='/content/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights' \n", + "hidden_dim = 128\n", + "num_layers = 3 \n", + "model_folder_path = path_to_model_weights\n", + "if model_folder_path[-1] != '/':\n", + " model_folder_path = model_folder_path + '/'\n", + "checkpoint_path = model_folder_path + f'{model_name}.pt'\n", + "\n", + "checkpoint = torch.load(checkpoint_path, map_location=device) \n", + "print('Number of edges:', checkpoint['num_edges'])\n", + "noise_level_print = checkpoint['noise_level']\n", + "print(f'Training noise level: {noise_level_print}A')\n", + "model = ProteinMPNN(num_letters=21, node_features=hidden_dim, edge_features=hidden_dim, hidden_dim=hidden_dim, num_encoder_layers=num_layers, num_decoder_layers=num_layers, augment_eps=backbone_noise, k_neighbors=checkpoint['num_edges'])\n", + "model.to(device)\n", + "model.load_state_dict(checkpoint['model_state_dict'])\n", + "model.eval()\n", + "print(\"Model loaded\")" + ], + "metadata": { + "id": "iYDU3ftml2k5", + "cellView": "form" + }, + "execution_count": null, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "import re\n", + "from google.colab import files\n", + "import numpy as np\n", + "\n", + "#########################\n", + "def get_pdb(pdb_code=\"\"):\n", + " if pdb_code is None or pdb_code == \"\":\n", + " upload_dict = files.upload()\n", + " pdb_string = upload_dict[list(upload_dict.keys())[0]]\n", + " with open(\"tmp.pdb\",\"wb\") as out: out.write(pdb_string)\n", + " return \"tmp.pdb\"\n", + " else:\n", + " os.system(f\"wget -qnc https://files.rcsb.org/view/{pdb_code}.pdb\")\n", + " return f\"{pdb_code}.pdb\"\n", + "\n", + "#@markdown ### Input Options\n", + "pdb='6MRR' #@param {type:\"string\"}\n", + "pdb_path = get_pdb(pdb)\n", + "#@markdown - pdb code (leave blank to get an upload prompt)\n", + "\n", + "designed_chain = \"A\" #@param {type:\"string\"}\n", + "fixed_chain = \"\" #@param {type:\"string\"}\n", + "\n", + "if designed_chain == \"\":\n", + " designed_chain_list = []\n", + "else:\n", + " designed_chain_list = re.sub(\"[^A-Za-z]+\",\",\", designed_chain).split(\",\")\n", + "\n", + "if fixed_chain == \"\":\n", + " fixed_chain_list = []\n", + "else:\n", + " fixed_chain_list = re.sub(\"[^A-Za-z]+\",\",\", fixed_chain).split(\",\")\n", + "\n", + "chain_list = list(set(designed_chain_list + fixed_chain_list))\n", + "\n", + "#@markdown - specified which chain(s) to design and which chain(s) to keep fixed. \n", + "#@markdown Use comma:`A,B` to specifiy more than one chain\n", + "\n", + "#chain = \"A\" #@param {type:\"string\"}\n", + "#pdb_path_chains = chain\n", + "##@markdown - Define which chain to redesign\n", + "\n", + "#@markdown ### Design Options\n", + "num_seqs = 1 #@param [\"1\", \"2\", \"4\", \"8\", \"16\", \"32\", \"64\"] {type:\"raw\"}\n", + "num_seq_per_target = num_seqs\n", + "sampling_temp = \"0.1\" #@param [\"0.1\", \"0.15\", \"0.2\", \"0.25\", \"0.3\"]\n", + "#@markdown - Sampling temperature for amino acids, T=0.0 means taking \n", + "#@markdown argmax, T>>1.0 means sample randomly. Suggested values \n", + "#@markdown 0.1, 0.15, 0.2, 0.25, 0.3. Higher values will lead to more diversity.\n", + "\n", + "\n", + "save_score=0 # 0 for False, 1 for True; save score=-log_prob to npy files\n", + "save_probs=0 # 0 for False, 1 for True; save MPNN predicted probabilites per position\n", + "score_only=0 # 0 for False, 1 for True; score input backbone-sequence pairs\n", + "conditional_probs_only=0 # 0 for False, 1 for True; output conditional probabilities p(s_i given the rest of the sequence and backbone)\n", + "conditional_probs_only_backbone=0 # 0 for False, 1 for True; if true output conditional probabilities p(s_i given backbone)\n", + " \n", + "batch_size=1 # Batch size; can set higher for titan, quadro GPUs, reduce this if running out of GPU memory\n", + "max_length=20000 # Max sequence length\n", + " \n", + "out_folder='.' # Path to a folder to output sequences, e.g. /home/out/\n", + "jsonl_path='' # Path to a folder with parsed pdb into jsonl\n", + "omit_AAs='X' # Specify which amino acids should be omitted in the generated sequence, e.g. 'AC' would omit alanine and cystine.\n", + " \n", + "pssm_multi=0.0 # A value between [0.0, 1.0], 0.0 means do not use pssm, 1.0 ignore MPNN predictions\n", + "pssm_threshold=0.0 # A value between -inf + inf to restric per position AAs\n", + "pssm_log_odds_flag=0 # 0 for False, 1 for True\n", + "pssm_bias_flag=0 # 0 for False, 1 for True\n", + "\n", + "\n", + "##############################################################\n", + "\n", + "folder_for_outputs = out_folder\n", + "\n", + "NUM_BATCHES = num_seq_per_target//batch_size\n", + "BATCH_COPIES = batch_size\n", + "temperatures = [float(item) for item in sampling_temp.split()]\n", + "omit_AAs_list = omit_AAs\n", + "alphabet = 'ACDEFGHIKLMNPQRSTVWYX'\n", + "\n", + "omit_AAs_np = np.array([AA in omit_AAs_list for AA in alphabet]).astype(np.float32)\n", + "\n", + "chain_id_dict = None\n", + "fixed_positions_dict = None\n", + "pssm_dict = None\n", + "omit_AA_dict = None\n", + "bias_AA_dict = None\n", + "tied_positions_dict = None\n", + "bias_by_res_dict = None\n", + "bias_AAs_np = np.zeros(len(alphabet))\n", + "\n", + "\n", + "###############################################################\n", + "pdb_dict_list = parse_PDB(pdb_path, input_chain_list=chain_list)\n", + "dataset_valid = StructureDatasetPDB(pdb_dict_list, truncate=None, max_length=max_length)\n", + "\n", + "chain_id_dict = {}\n", + "chain_id_dict[pdb_dict_list[0]['name']]= (designed_chain_list, fixed_chain_list)\n", + "\n", + "print(chain_id_dict)" + ], + "metadata": { + "cellView": "form", + "id": "k4o6w2Y23wxO" + }, + "execution_count": null, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "#@title RUN\n", + "with torch.no_grad():\n", + " print('Generating sequences...')\n", + " for ix, protein in enumerate(dataset_valid):\n", + " score_list = []\n", + " all_probs_list = []\n", + " all_log_probs_list = []\n", + " S_sample_list = []\n", + " batch_clones = [copy.deepcopy(protein) for i in range(BATCH_COPIES)]\n", + " X, S, mask, lengths, chain_M, chain_encoding_all, chain_list_list, visible_list_list, masked_list_list, masked_chain_length_list_list, chain_M_pos, omit_AA_mask, residue_idx, dihedral_mask, tied_pos_list_of_lists_list, pssm_coef, pssm_bias, pssm_log_odds_all, bias_by_res_all, tied_beta = tied_featurize(batch_clones, device, chain_id_dict, fixed_positions_dict, omit_AA_dict, tied_positions_dict, pssm_dict, bias_by_res_dict)\n", + " pssm_log_odds_mask = (pssm_log_odds_all > pssm_threshold).float() #1.0 for true, 0.0 for false\n", + " name_ = batch_clones[0]['name']\n", + "\n", + " randn_1 = torch.randn(chain_M.shape, device=X.device)\n", + " log_probs = model(X, S, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_1)\n", + " mask_for_loss = mask*chain_M*chain_M_pos\n", + " scores = _scores(S, log_probs, mask_for_loss)\n", + " native_score = scores.cpu().data.numpy()\n", + "\n", + " for temp in temperatures:\n", + " for j in range(NUM_BATCHES):\n", + " randn_2 = torch.randn(chain_M.shape, device=X.device)\n", + " if tied_positions_dict == None:\n", + " sample_dict = model.sample(X, randn_2, S, chain_M, chain_encoding_all, residue_idx, mask=mask, temperature=temp, omit_AAs_np=omit_AAs_np, bias_AAs_np=bias_AAs_np, chain_M_pos=chain_M_pos, omit_AA_mask=omit_AA_mask, pssm_coef=pssm_coef, pssm_bias=pssm_bias, pssm_multi=pssm_multi, pssm_log_odds_flag=bool(pssm_log_odds_flag), pssm_log_odds_mask=pssm_log_odds_mask, pssm_bias_flag=bool(pssm_bias_flag), bias_by_res=bias_by_res_all)\n", + " S_sample = sample_dict[\"S\"] \n", + " else:\n", + " sample_dict = model.tied_sample(X, randn_2, S, chain_M, chain_encoding_all, residue_idx, mask=mask, temperature=temp, omit_AAs_np=omit_AAs_np, bias_AAs_np=bias_AAs_np, chain_M_pos=chain_M_pos, omit_AA_mask=omit_AA_mask, pssm_coef=pssm_coef, pssm_bias=pssm_bias, pssm_multi=pssm_multi, pssm_log_odds_flag=bool(pssm_log_odds_flag), pssm_log_odds_mask=pssm_log_odds_mask, pssm_bias_flag=bool(pssm_bias_flag), tied_pos=tied_pos_list_of_lists_list[0], tied_beta=tied_beta, bias_by_res=bias_by_res_all)\n", + " # Compute scores\n", + " S_sample = sample_dict[\"S\"]\n", + " log_probs = model(X, S_sample, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_2, use_input_decoding_order=True, decoding_order=sample_dict[\"decoding_order\"])\n", + " mask_for_loss = mask*chain_M*chain_M_pos\n", + " scores = _scores(S_sample, log_probs, mask_for_loss)\n", + " scores = scores.cpu().data.numpy()\n", + " all_probs_list.append(sample_dict[\"probs\"].cpu().data.numpy())\n", + " all_log_probs_list.append(log_probs.cpu().data.numpy())\n", + " S_sample_list.append(S_sample.cpu().data.numpy())\n", + " for b_ix in range(BATCH_COPIES):\n", + " masked_chain_length_list = masked_chain_length_list_list[b_ix]\n", + " masked_list = masked_list_list[b_ix]\n", + " seq_recovery_rate = torch.sum(torch.sum(torch.nn.functional.one_hot(S[b_ix], 21)*torch.nn.functional.one_hot(S_sample[b_ix], 21),axis=-1)*mask_for_loss[b_ix])/torch.sum(mask_for_loss[b_ix])\n", + " seq = _S_to_seq(S_sample[b_ix], chain_M[b_ix])\n", + " score = scores[b_ix]\n", + " score_list.append(score)\n", + " native_seq = _S_to_seq(S[b_ix], chain_M[b_ix])\n", + " if b_ix == 0 and j==0 and temp==temperatures[0]:\n", + " start = 0\n", + " end = 0\n", + " list_of_AAs = []\n", + " for mask_l in masked_chain_length_list:\n", + " end += mask_l\n", + " list_of_AAs.append(native_seq[start:end])\n", + " start = end\n", + " native_seq = \"\".join(list(np.array(list_of_AAs)[np.argsort(masked_list)]))\n", + " l0 = 0\n", + " for mc_length in list(np.array(masked_chain_length_list)[np.argsort(masked_list)])[:-1]:\n", + " l0 += mc_length\n", + " native_seq = native_seq[:l0] + '/' + native_seq[l0:]\n", + " l0 += 1\n", + " sorted_masked_chain_letters = np.argsort(masked_list_list[0])\n", + " print_masked_chains = [masked_list_list[0][i] for i in sorted_masked_chain_letters]\n", + " sorted_visible_chain_letters = np.argsort(visible_list_list[0])\n", + " print_visible_chains = [visible_list_list[0][i] for i in sorted_visible_chain_letters]\n", + " native_score_print = np.format_float_positional(np.float32(native_score.mean()), unique=False, precision=4)\n", + " line = '>{}, score={}, fixed_chains={}, designed_chains={}, model_name={}\\n{}\\n'.format(name_, native_score_print, print_visible_chains, print_masked_chains, model_name, native_seq)\n", + " print(line.rstrip())\n", + " start = 0\n", + " end = 0\n", + " list_of_AAs = []\n", + " for mask_l in masked_chain_length_list:\n", + " end += mask_l\n", + " list_of_AAs.append(seq[start:end])\n", + " start = end\n", + "\n", + " seq = \"\".join(list(np.array(list_of_AAs)[np.argsort(masked_list)]))\n", + " l0 = 0\n", + " for mc_length in list(np.array(masked_chain_length_list)[np.argsort(masked_list)])[:-1]:\n", + " l0 += mc_length\n", + " seq = seq[:l0] + '/' + seq[l0:]\n", + " l0 += 1\n", + " score_print = np.format_float_positional(np.float32(score), unique=False, precision=4)\n", + " seq_rec_print = np.format_float_positional(np.float32(seq_recovery_rate.detach().cpu().numpy()), unique=False, precision=4)\n", + " line = '>T={}, sample={}, score={}, seq_recovery={}\\n{}\\n'.format(temp,b_ix,score_print,seq_rec_print,seq)\n", + " print(line.rstrip())\n", + "\n", + "\n", + "all_probs_concat = np.concatenate(all_probs_list)\n", + "all_log_probs_concat = np.concatenate(all_log_probs_list)\n", + "S_sample_concat = np.concatenate(S_sample_list)" + ], + "metadata": { + "id": "xMVlYh8Fv2of", + "cellView": "form" + }, + "execution_count": null, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "# experimental output\n", + "plt.figure(figsize=(20,5), dpi=100)\n", + "plt.imshow(all_probs_concat.mean(0).T,vmin=0,vmax=1)\n", + "plt.xlabel(\"positions\")\n", + "plt.ylabel(\"amino acids\")\n", + "plt.yticks(range(21),list(alphabet))\n", + "plt.show()" + ], + "metadata": { + "id": "4jSKLU3L17Sf" + }, + "execution_count": null, + "outputs": [] + } + ] +} \ No newline at end of file diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/assigned_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..914e305f4d0485b301cca81829f1a2a6bf4f0b92 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"4YOW": [["A", "B"], ["C", "D", "E", "F"]], "3HTN": [["A", "B"], ["C"]]} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/fixed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/fixed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..8a96ea0427c49dd3128358a3a69d56a903b6deea --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/fixed_pdbs.jsonl @@ -0,0 +1 @@ +{"4YOW": {"A": [1, 2, 3, 4, 5, 6, 7, 8, 23, 25], "C": [10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 40], "B": [], "D": [], "E": [], "F": []}, "3HTN": {"A": [1, 2, 3, 4, 5, 6, 7, 8, 23, 25], "C": [10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 40], "B": []}} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/parsed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..737238e0fc0cdf12168d44509452048e5ed18fee --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS", "coords_chain_A": {"N_chain_A": [[19.438, 46.146, -8.578], [16.845, 44.398, -10.36], [13.735, 43.284, -9.772], [11.124, 40.935, -10.15], [8.11, 40.322, -8.545], [5.39, 38.491, -7.046], [2.137, 38.399, -5.57], [-0.86, 37.162, -3.973], [-3.725, 38.721, -2.697], [-6.166, 40.426, -0.542], [-9.542, 40.162, 0.346], [-12.988, 39.228, 0.062], [-15.3, 39.822, 2.576], [-17.795, 38.475, 4.809], [-20.52, 39.646, 6.941], [-19.717, 38.932, 9.425], [-17.118, 39.216, 9.309], [-15.746, 37.078, 8.27], [-13.674, 35.637, 5.835], [-14.482, 35.147, 2.386], [-13.564, 34.742, -0.249], [-10.482, 35.177, -2.126], [-9.223, 38.101, -3.876], [-7.428, 39.768, -5.68], [-4.642, 38.959, -7.732], [-1.377, 39.932, -8.108], [1.44, 40.859, -10.032], [4.547, 42.435, -9.737], [7.086, 44.707, -10.958], [10.055, 45.604, -9.457], [12.386, 48.117, -8.732], [15.404, 49.891, -7.708], [14.696, 52.806, -5.772], [13.452, 50.65, -4.437], [10.911, 51.004, -3.167], [8.427, 51.143, -4.258], [6.297, 50.324, -7.134], [6.195, 50.826, -10.631], [5.433, 49.393, -12.691], [3.306, 46.8, -13.352], [1.138, 43.876, -13.181], [-2.258, 42.68, -13.061], [-4.465, 40.135, -11.972], [-7.712, 39.089, -11.669], [-9.704, 37.193, -9.371], [-12.667, 35.158, -8.783], [-14.253, 35.835, -5.951], [-16.574, 34.796, -4.862], [-16.824, 32.344, -5.848], [-14.622, 30.86, -4.811], [-11.992, 28.791, -3.564], [-10.841, 28.594, -0.47], [-9.525, 26.726, 1.03], [-8.087, 25.451, -0.908], [-5.049, 25.937, -2.88], [-4.828, 27.74, -5.054], [-4.062, 30.375, -5.404], [-1.139, 30.573, -5.246], [-0.403, 29.346, -7.587], [-1.49, 30.949, -9.523], [0.028, 33.178, -8.955], [2.804, 32.505, -9.602], [2.502, 32.061, -12.301], [1.621, 34.549, -13.319], [3.74, 36.171, -12.597], [5.791, 35.155, -14.166], [4.8, 35.8, -16.699], [5.051, 38.588, -16.676], [7.78, 38.77, -16.221], [8.804, 37.713, -18.539], [8.572, 39.79, -20.169], [9.922, 42.032, -19.156], [12.361, 41.211, -18.305], [13.735, 40.627, -15.583], [16.216, 40.467, -12.872], [15.724, 38.419, -11.131], [13.059, 36.325, -9.838], [10.728, 36.788, -7.26], [8.888, 34.721, -5.214], [5.963, 34.434, -3.166], [6.484, 32.758, -0.62], [7.759, 31.597, 2.302], [10.525, 29.988, 2.315], [13.139, 30.212, 2.771], [14.487, 31.277, 0.63], [15.041, 29.441, -1.374], [15.55, 28.024, -4.607], [12.793, 27.413, -6.677], [12.915, 25.607, -8.788], [14.579, 23.672, -7.836], [13.122, 22.218, -6.114], [12.293, 19.302, -4.862], [10.847, 16.398, -3.24], [12.902, 15.426, -1.607], [14.511, 17.676, -0.907], [12.587, 19.333, 0.1], [11.608, 18.057, 2.467], [13.829, 18.46, 3.934], [13.762, 21.035, 4.555], [13.295, 23.776, 6.86], [10.498, 24.022, 7.593], [6.951, 23.905, 8.482], [5.148, 20.794, 9.157], [2.876, 20.692, 7.717], [3.37, 22.572, 5.783], [5.391, 21.258, 4.296], [3.956, 19.089, 3.184], [2.063, 20.443, 1.526], [3.77, 21.74, -0.343], [5.082, 19.608, -1.456], [3.165, 18.621, -3.057], [2.667, 20.752, -4.716], [5.079, 20.885, -6.048], [4.987, 19.031, -8.095], [3.868, 20.215, -10.352], [4.895, 22.868, -10.353], [7.693, 22.794, -10.05], [8.787, 21.552, -12.447], [7.947, 23.596, -14.171], [9.375, 25.812, -13.248], [11.938, 24.936, -13.741], [11.938, 24.763, -16.485], [11.527, 27.452, -17.219], [13.831, 28.593, -16.218], [15.851, 27.415, -17.739], [15.334, 28.526, -20.142], [15.487, 31.433, -19.755], [17.323, 31.92, -17.77], [16.645, 32.981, -15.417], [16.147, 32.77, -11.995], [13.59, 31.453, -9.842], [12.795, 32.201, -6.748], [11.779, 31.07, -3.517], [11.127, 33.188, -1.229], [9.46, 34.8, 0.222], [8.325, 36.277, 3.171], [10.656, 37.641, 3.683], [11.229, 39.18, 1.538], [11.15, 42.397, 0.016], [10.12, 43.333, -2.54], [7.994, 41.444, -2.783], [6.312, 42.25, -0.683], [5.613, 44.759, -1.647], [4.153, 43.935, -3.869], [2.121, 42.765, -2.453], [0.944, 44.998, -1.296], [-0.07, 46.307, -3.586], [-1.87, 44.386, -4.351], [-3.72, 44.774, -2.395], [-4.553, 47.329, -3.116], [-5.709, 46.847, -5.641], [-7.75, 45.228, -4.901], [-9.409, 46.968, -3.59], [-9.94, 48.526, -5.82], [-11.268, 46.585, -7.376], [-13.509, 46.326, -5.762], [-14.533, 48.911, -5.992], [-15.265, 48.883, -8.706], [-17.221, 46.978, -8.702], [-19.176, 47.603, -6.858], [-21.776, 48.808, -7.141], [-23.403, 46.982, -8.264], [-23.397, 45.074, -6.404], [-24.126, 46.362, -4.205], [-22.945, 46.918, -1.644], [-20.058, 46.189, 0.129], [-17.616, 44.385, 1.973], [-14.239, 44.534, 2.22], [-11.474, 42.73, 3.062], [-8.332, 43.775, 3.722], [-4.779, 43.163, 2.993], [-2.11, 42.606, 5.484], [-1.734, 45.221, 7.849], [-1.994, 47.622, 6.066], [-3.034, 50.659, 4.466], [-5.526, 52.444, 2.532], [-5.949, 55.177, 0.213], [-8.29, 57.146, -1.473], [-8.299, 59.008, -4.28], [-9.295, 61.488, -6.753], [-8.816, 60.222, -9.18], [-7.255, 58.046, -8.698], [-6.119, 55.229, -6.66], [-4.405, 55.101, -3.627], [-2.091, 53.158, -1.955], [-0.631, 52.356, 1.159], [1.851, 51.041, 3.331], [1.393, 50.46, 6.807], [3.376, 50.062, 8.544], [6.131, 51.592, 9.684], [8.649, 50.569, 9.875], [9.226, 49.272, 7.56], [10.116, 51.059, 5.783], [8.752, 52.899, 4.196], [6.958, 51.828, 2.167], [4.896, 51.74, -0.677], [2.09, 52.138, -3.007], [0.467, 52.869, -6.196], [-2.361, 53.301, -8.229], [-4.04, 54.183, -11.107], [-7.475, 54.81, -11.674], [-10.975, 54.853, -12.642], [-13.225, 56.452, -10.593], [-16.256, 55.566, -9.271], [-19.296, 57.448, -8.671], [-21.523, 58.573, -5.985], [-21.003, 56.867, -3.963], [-19.958, 55.724, -0.725], [-17.151, 55.331, 1.389], [-15.299, 53.596, 3.954], [-12.63, 53.118, 6.281], [-11.391, 50.811, 8.56], [-10.23, 48.916, 11.49], [-10.154, 45.316, 11.297], [-11.983, 43.661, 13.598], [-11.601, 41.08, 14.453], [-9.213, 40.263, 13.525], [-6.295, 41.381, 14.363], [-4.26, 44.155, 13.357], [-5.009, 43.975, 10.75], [-6.755, 45.686, 8.262], [-10.1, 46.82, 7.304], [-11.895, 47.443, 4.343], [-14.761, 49.146, 3.559], [-17.537, 49.666, 1.447], [-20.399, 51.366, 0.119], [-23.611, 52.173, -1.472]], "CA_chain_A": [[18.657, 44.947, -8.861], [15.501, 44.492, -10.907], [13.058, 42.095, -9.274], [9.7, 40.715, -10.332], [7.51, 39.587, -7.442], [3.952, 38.304, -7.169], [1.38, 37.981, -4.398], [-2.316, 37.209, -3.979], [-4.223, 39.35, -1.487], [-7.476, 41.05, 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39.164, 19.147], [-10.317, 40.527, 16.061], [-8.26, 41.518, 13.561], [-7.712, 43.534, 10.819], [-5.963, 44.065, 8.028], [-5.12, 46.277, 5.479], [-2.189, 44.788, 3.869], [0.547, 43.33, 3.484], [1.94, 40.012, 3.801], [3.44, 37.27, 4.93], [4.188, 34.368, 5.663], [6.048, 32.514, 7.362], [3.21, 30.669, 8.703], [1.46, 27.807, 9.036], [-0.02, 25.709, 11.55], [-1.873, 22.559, 11.618], [-4.794, 20.508, 11.74], [-6.773, 17.663, 11.804], [-10.122, 16.651, 12.726], [-13.099, 16.127, 14.621], [-16.611, 16.124, 14.933], [-18.304, 14.289, 13.335], [-16.597, 14.867, 10.665], [-15.105, 17.731, 10.656], [-13.033, 19.775, 10.558], [-10.176, 21.17, 11.995], [-8.352, 23.882, 12.652], [-5.263, 25.208, 13.443], [-3.76, 28.383, 13.032], [-0.958, 30.264, 12.505], [1.074, 33.252, 12.145], [3.11, 35.331, 10.279], [4.001, 38.628, 9.32], [4.553, 41.486, 7.526], [4.982, 44.502, 6.596], [6.719, 46.904, 5.678], [8.721, 46.303, 8.298], [8.662, 43.459, 9.765], [6.564, 42.664, 11.721], [4.621, 40.607, 13.574], [2.139, 38.287, 13.927], [0.175, 36.024, 16.01], [-2.352, 33.305, 15.901], [-5.231, 32.763, 14.798], [-7.169, 32.183, 12.299], [-9.648, 33.104, 10.179], [-8.031, 35.068, 7.533], [-7.174, 35.72, 4.051], [-6.134, 37.057, 1.16], [-4.594, 37.22, -1.435], [-1.66, 38.579, -2.979], [-0.318, 35.645, -4.455], [0.261, 32.904, -2.654], [-0.082, 29.408, -1.702], [1.723, 26.94, -0.011], [0.95, 23.661, 1.029], [0.666, 21.002, 3.039], [-0.769, 17.987, 3.47], [-1.225, 15.442, 5.378], [-2.205, 12.308, 5.937], [-3.065, 9.863, 7.871], [-5.507, 8.086, 8.224], [-6.715, 9.342, 11.243], [-8.254, 10.147, 13.794], [-9.192, 13.019, 15.702], [-10.49, 14.561, 18.523], [-12.508, 16.349, 20.727], [-13.54, 18.253, 23.494], [-14.586, 20.057, 25.645], [-14.228, 22.246, 28.08], [-15.452, 24.102, 30.272], [-12.853, 25.405, 31.256], [-12.178, 26.601, 28.238], [-13.198, 26.34, 25.303], [-11.832, 23.397, 23.742], [-10.318, 21.165, 21.9], [-8.702, 18.241, 22.422], [-7.771, 15.48, 22.355], [-8.579, 12.066, 21.852], [-7.641, 9.053, 21.585], [-10.448, 7.674, 22.633], [-12.413, 8.319, 20.122]], "O_chain_C": [[-11.856, 28.724, -7.139], [-8.345, 28.406, -4.163], [-7.949, 24.626, -7.2], [-3.782, 23.604, -5.679], [-2.86, 19.577, -8.093], [-0.057, 17.611, -4.607], [0.901, 13.835, -6.145], [2.931, 13.033, -1.642], [0.055, 11.037, -1.24], [0.013, 13.244, 2.653], [0.309, 14.993, -1.501], [-0.096, 19.544, -0.196], [-0.76, 21.183, -4.23], [-0.863, 25.303, -2.125], [-4.015, 26.835, -5.354], [-3.833, 30.314, -4.803], [-6.329, 32.533, -4.146], [-7.938, 34.72, -5.728], [-10.255, 36.295, -3.073], [-7.936, 34.034, -0.091], [-9.982, 31.029, 1.762], [-7.809, 28.675, 3.398], [-10.297, 27.4, 5.304], [-12.249, 26.645, 2.748], [-9.743, 24.943, 1.012], [-9.02, 22.835, 3.737], [-12.207, 21.833, 3.883], [-12.48, 20.982, 0.618], [-9.929, 18.919, 0.67], [-11.201, 17.014, 3.355], [-14.156, 16.537, 1.512], [-12.567, 15.583, -1.784], [-9.895, 13.23, 0.992], [-10.52, 12.268, 4.244], [-9.919, 15.076, 6.931], [-8.962, 14.192, 10.459], [-4.724, 13.933, 8.323], [-2.803, 17.678, 10.648], [-1.104, 19.422, 6.74], [0.408, 23.611, 8.539], [1.817, 24.742, 4.237], [3.303, 29.163, 5.352], [2.238, 30.579, 1.007], [2.754, 35.238, 1.992], [-1.265, 36.563, -0.028], [-1.57, 40.722, 2.13], [-5.583, 43.105, 3.177], [-5.793, 38.774, 5.28], [-6.811, 40.367, 9.768], [-7.367, 36.05, 11.749], [-7.957, 37.959, 15.704], [-6.321, 34.879, 18.662], [-8.599, 36.907, 22.382], [-6.714, 34.247, 25.278], [-10.079, 34.181, 28.442], [-10.019, 31.739, 31.23], [-11.598, 33.939, 33.278], [-14.47, 35.444, 30.334], [-14.263, 34.507, 26.321], [-11.288, 36.099, 25.41], [-12.998, 38.727, 21.848], [-9.308, 38.455, 18.973], [-11.115, 41.455, 15.869], [-7.588, 40.56, 13.199], [-7.931, 44.712, 11.11], [-6.239, 43.039, 7.418], [-5.048, 47.518, 5.451], [-2.619, 43.647, 4.025], [1.258, 44.043, 4.19], [1.318, 39.477, 2.896], [3.731, 37.522, 6.09], [4.62, 33.699, 4.738], [6.917, 31.711, 7.049], [2.708, 31.435, 9.46], [2.038, 27.017, 8.291], [-0.649, 26.427, 12.323], [-1.032, 21.857, 11.067], [-5.625, 21.437, 11.774], [-5.952, 16.795, 12.134], [-10.533, 17.25, 11.726], [-12.591, 15.743, 15.676], [-17.086, 16.802, 14.021], [-19.209, 14.653, 12.595], [-16.282, 14.795, 9.477], [-14.526, 17.692, 11.745], [-13.945, 20.583, 10.777], [-9.249, 20.363, 12.109], [-9.194, 24.585, 13.238], [-4.266, 24.507, 13.284], [-4.55, 29.215, 13.49], [-0.682, 29.599, 11.487], [0.865, 33.823, 13.219], [3.275, 34.722, 9.214], [4.279, 39.043, 10.461], [3.914, 41.282, 6.492], [6.123, 44.03, 6.404], [7.692, 47.154, 4.959], [9.62, 46.505, 9.099], [9.062, 42.373, 10.185], [5.832, 42.551, 10.758], [4.708, 41.122, 14.706], [2.554, 37.57, 13.001], [-0.169, 36.772, 16.911], [-1.951, 32.676, 14.937], [-5.862, 33.826, 14.9], [-7.566, 31.032, 12.351], [-10.482, 32.353, 9.626], [-7.366, 35.802, 8.277], [-7.482, 34.648, 3.522], [-5.356, 38.002, 1.345], [-5.583, 37.654, -2.02], [-0.716, 39.222, -2.533], [-1.333, 35.095, -4.947], [0.146, 33.592, -1.651], [-0.743, 28.702, -2.479], [2.451, 27.273, 0.924], [0.688, 23.153, -0.064], [0.672, 21.372, 4.228], [-0.792, 17.312, 2.434], [-1.821, 15.885, 6.336], [-1.511, 11.465, 5.386], [-2.691, 8.821, 8.387], [-5.676, 6.865, 8.217], [-6.497, 10.54, 11.21], [-7.561, 9.434, 14.525], [-9.566, 13.908, 14.915], [-9.403, 14.505, 19.087], [-13.551, 15.901, 20.239], [-12.509, 18.752, 23.907], [-15.131, 19.171, 26.301], [-13.837, 23.364, 27.785], [-15.78, 25.291, 30.304], [-12.695, 26.548, 31.709], [-11.76, 27.69, 27.86], [-13.322, 27.108, 24.348], [-12.128, 22.563, 24.57], [-9.457, 21.609, 21.151], [-9.668, 17.471, 22.419], [-7.543, 15.591, 23.549], [-9.337, 11.639, 20.973], [-7.581, 8.143, 20.746], [-11.068, 6.615, 22.75], [-11.388, 8.347, 19.435]]}, "name": "3HTN", "num_of_chains": 3, "seq": "NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPK----DDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER"} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/seqs/3HTN.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..8234fc0247c08c0f01da52af8adcd28a99223e4c --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1538, fixed_chains=['C'], designed_chains=['A', 'B'], model_name=v_48_020 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKXXXXDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=0, score=0.7465, seq_recovery=0.5426 +KMYEYKKIGNDYIVSIKNNTDLVTAIKEFCKEKKIKSGTINGIGQVKQVTLRFYNFETKEYEEKTFNENLDISNLTGIISTHNNEIFLHLHGTFGKENFSALAGHLISAIVNGKGILKVEDFKEEISTKYDEKLGLYLLDFNK/SMYKYKKIGNDYIVKINNGKNLVESLLEFVKDKNIKSGTINGTGSVSKVTLEFFDPEXXXXKTKTFNDNFDISNLTGFISTKDGKPLIDLHITIGDSDFSALAGHLIDAIVNGEANIKVEDYNVEINVRYDEELGLWLLDFNL +>T=0.1, sample=0, score=0.7500, seq_recovery=0.5851 +NMYTYEKIGNKYIVSINNNTELITAIKNFCKEKKIKSGTINGIGQVSSVTLRFYNYETKTYENKTFNAQFTISNLTGIISTYNNEIFLHLHITIGDSNFSALAGHLLSAVVNGTCILIVEDFKEKISRKYNEELGLYLLDFNK/NMYKYKKIGNKYIVSINNGKELYEALLDFVKDKNIKSGSVNGTGMISKLTLSFFDPNXXXXTTKTFNMNMDISNLTGFISTKNGEPLLDLHVTVGDSDFSALAGHLVSAVVNGEADVIIENFNKEINVKYNEELGLWLLDFNL diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/seqs/4YOW.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..45ed04cd664e44cb032feee3ba1f801599f80627 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_2_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.1024, fixed_chains=['C', 'D', 'E', 'F'], designed_chains=['A', 'B'], model_name=v_48_020 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/XXXX +>T=0.1, sample=0, score=0.7444, seq_recovery=0.5903 +MKIVAADTGGALADENYNPIGKIATVAVLVTKPYRTSDTFLVEYLDPTKYDLSSHEGIKRELELAIELAEQVKPDLIHLDINLGGVPVAELNPEVIDKLQISEETKKILKELAKTLTPLAQAYLAKTGIPILATGDDSVPVHIAHIYASGAAVKWALENVKELKGLRVLLEEATSVEIKEDSIVVRSLDPRDGGLYGEIKTEIPEGITTELYPNPLRSNHMIFEVKT/XXXX +>T=0.1, sample=0, score=0.7336, seq_recovery=0.5551 +MKIVAADTGGYLLDENYRPIGRIATVAVLVEKPYRTSDVFLVEYLDPTNYDLSSHEGILREFRLAVELAERVKPDLIHLDIDLGGVPVAELTPEVIEALQISEETKATLKELAKTLTPAAQAFLARTGIPVLAMGSRSVPVRIADIAASVAAVKYALENVKKRKGLRVGLEEAVSVEIEEKSIVGRSLDPRDGGLYFRIETEIPEGVTYELYPNPLRTNHLVFEVKV/XXXX diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_3_outputs/seqs/3HTN.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_3_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..2ce25e88d148a07ab68c40bb9139a7bc19d50fce --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_3_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1501, fixed_chains=['C'], designed_chains=['A', 'B'], model_name=v_48_020 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKXXXXDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=0, score=0.7254, seq_recovery=0.5355 +HMYEYKEIGNKYIVSINNNTDIVEAIKKFCEEKNIKSGTINGIGQVKSVTLRFYNFETKESKEVTINDNLTISNLTGIISTYNNEIFLDLHITIGDSNFSALAGHLLSAIVNGDCILIIEDYKENISKKYDKELGLWLLDFNK/KMYSYKKIGNKYIVNINNGKDLVTSILKFCEDKKIKSGTINGTGMISKLTLEFFDPEXXXXTTKTFNDILDISNLTGFISTKDGKVFVKLYITAGKKDFSALAGKLVSAIVNGEMNLTIEDFNVEINVEYNEELGLYLLNFNK +>T=0.1, sample=0, score=0.7494, seq_recovery=0.5745 +SMYEYKKIGNSYIVSVNNNTELVEALTAFCTEKGIKSGTVNGIGQVKSVTLRFYNFETKEYKEKTFEENLEISNLTGIISTYNNKVFLDIHGTFGKSDFSALAGHLVSAIVNGKAILKVEDYKEEISRTYNEETGLWLLDFNK/KMYKYKKIGNDYIVSIKNGKNLVEAIKKFCEDKNIKSGSVNGTGQISKVTLRFFDPEXXXXTTKTFNENMDISNLTGFISTKNGEVLVDLHITVGKSNFSALAGHLVDAIVNGEADLKIEDYNVEINVEYDEKTGLWLLNFNK diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/assigned_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..7dad85f0f9962df2a376e5f5fa38033edb2bb325 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"4YOW": [["A", "C"], ["B", "D", "E", "F"]], "3HTN": [["A", "C"], ["B"]]} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/fixed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/fixed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..8a96ea0427c49dd3128358a3a69d56a903b6deea --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/fixed_pdbs.jsonl @@ -0,0 +1 @@ +{"4YOW": {"A": [1, 2, 3, 4, 5, 6, 7, 8, 23, 25], "C": [10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 40], "B": [], "D": [], "E": [], "F": []}, "3HTN": {"A": [1, 2, 3, 4, 5, 6, 7, 8, 23, 25], "C": [10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 40], "B": []}} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/parsed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..737238e0fc0cdf12168d44509452048e5ed18fee --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS", "coords_chain_A": {"N_chain_A": [[19.438, 46.146, -8.578], [16.845, 44.398, -10.36], [13.735, 43.284, -9.772], [11.124, 40.935, -10.15], [8.11, 40.322, -8.545], [5.39, 38.491, -7.046], [2.137, 38.399, 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"NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPK----DDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER"} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/seqs/3HTN.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..80a9f691bf7ba6123a0bd3be61fc0463d23b3d77 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1682, fixed_chains=['B'], designed_chains=['A', 'C'], model_name=v_48_020 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=0, score=0.7425, seq_recovery=0.5606 +NMYSYKKIGNKYIVNINNNTELVEAIKKFCKDENIKSGSINGTGQVSKVTLRFYNPETKEYKETTFNDNFDISNLTGFISTYNNEVFLDLHITIGKSNFSALAGHLLSAVVNGEMTLVVEDYNELLSMKYNEELGLYLLDFNK/NLYSYKKIGNKYIVSINNHTDIVTALKTFCEDKNIKSGTINGIGQVSSVTLRFFNIETKEVKEVTFNENLEISNLTGIISEKDGKVFLHLHGTFGKSDFSALAGHLLSAVVNGKALFEIEDFKEKVNVEYDEELGLWLLNFNK +>T=0.1, sample=0, score=0.7474, seq_recovery=0.5644 +NMYSYKKIGNKYIVSINNNTNLVTAIKKFCEDKNIKSGTINGTGQVSKVTLRFYNPETKTYTDKTFNDNFDISNLTGFISTYNGKIFLHLHITIGDSNFSALAGHLIDAIVNGTADLVIEDYNENISMKYDEELGLYLLDFNK/NLYSYKKIGNKYIVSINNHTDIVEALKTFCEEKNIKSGTINGIGTVSSLTLAFRNIETGEVDRKTFNQNLEISNLTGIISTKNGKVFLDLHVTFGDSNFSALAGHLESAIVNGTALVVVEDYNEEVNVEYDEKLGLNLLNFNK diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/seqs/4YOW.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..ffbc0b5c76e20f0a49c480cd2bd47c6506349c31 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_4_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.1328, fixed_chains=['B', 'D', 'E', 'F'], designed_chains=['A', 'C'], model_name=v_48_020 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS +>T=0.1, sample=0, score=0.7592, seq_recovery=0.6088 +MRIVAADTGGALLNENYEPIGKIATVAVLVEKPYRTSKEFLVKYHDPLNYDLSSNQGIRDEVLLAIELARKVRPDMIHLDIDLGGVPLAELTPEVIEALQISEETKATLKELAKELTPLAQAFLAETGIPILCIGSRSVPVHIADIYASAEAVRWALENVKKLKGLLVGLEYATRVEIGKDSIKATSLDPRDGGLYAEVKTKIPEGITYELYPDPLRTGHMVFKITT/MKIVAADTGGAVLDESFQPVGRIATVAVVVEEPYRTSKEFLVKYLDPFKYDLSSHEGILEELELAIELAEKVKPDLIHLDLDLGGVELGELDPEVIDALQISPETRATLKELAKTLAPKARAFKEKTGIPILLTGEASVPVRIAEIYASIASVAWALEHVKELKGLRVLLEEAVSVEIEADKIVGRSLDPRDGGLYQELPTAVPEGITWELFPNPLRANHLVFEVTV +>T=0.1, sample=0, score=0.7365, seq_recovery=0.5972 +MRIVAADTGGYLLDENYRPIGPIATVAVLVEKPYRTSKEFLVRYHDPENYDLTGNQGLYDEFELAIELAEKVKPDLIHLDIDLGGVPVAELTPEVINKLPISEETKKTLIELSKTLTPKAQAFYKKTGIPILAIGDRSVPVKIADIYASIAAVKWALENVKERKGLRVLLEEGVRVEIKENSIVGTSLDPRDGGLYGEIETEVPEGVTYKLYPNPLRLGHLVFEIST/MKIVAADTGGAVLDESFQPVGRIATVAVVVEEPYTTSKEFLVRYLDPFAYDLSSHEGLREEVELAIELARKVKPDLIHLDIDLGGVDVADLDEAVIDALQISPETKAVLKELAKELAPLAKAFKAETGIPILATGHRSVPVHIAHIAASGAAVKWALEHVKELKGLRVLLEEATAVEIKENKIVVTSLDPRHGGLHFEIETEVPEGIEYELFPNPLDAGHMVFEVTV diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/assigned_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..7dad85f0f9962df2a376e5f5fa38033edb2bb325 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"4YOW": [["A", "C"], ["B", "D", "E", "F"]], "3HTN": [["A", "C"], ["B"]]} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/fixed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/fixed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..a93725eded02f1260c37c16ac08241a39dc4958c --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/fixed_pdbs.jsonl @@ -0,0 +1 @@ +{"4YOW": {"A": [9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23], "C": [10, 11, 18, 19, 20, 22], "B": [], "D": [], "E": [], "F": []}, "3HTN": {"A": [9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23], "C": [10, 11, 18, 19, 20, 22], "B": []}} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/parsed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..737238e0fc0cdf12168d44509452048e5ed18fee --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS", "coords_chain_A": {"N_chain_A": [[19.438, 46.146, -8.578], [16.845, 44.398, -10.36], [13.735, 43.284, -9.772], [11.124, 40.935, -10.15], [8.11, 40.322, -8.545], [5.39, 38.491, -7.046], [2.137, 38.399, 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0.924], [0.688, 23.153, -0.064], [0.672, 21.372, 4.228], [-0.792, 17.312, 2.434], [-1.821, 15.885, 6.336], [-1.511, 11.465, 5.386], [-2.691, 8.821, 8.387], [-5.676, 6.865, 8.217], [-6.497, 10.54, 11.21], [-7.561, 9.434, 14.525], [-9.566, 13.908, 14.915], [-9.403, 14.505, 19.087], [-13.551, 15.901, 20.239], [-12.509, 18.752, 23.907], [-15.131, 19.171, 26.301], [-13.837, 23.364, 27.785], [-15.78, 25.291, 30.304], [-12.695, 26.548, 31.709], [-11.76, 27.69, 27.86], [-13.322, 27.108, 24.348], [-12.128, 22.563, 24.57], [-9.457, 21.609, 21.151], [-9.668, 17.471, 22.419], [-7.543, 15.591, 23.549], [-9.337, 11.639, 20.973], [-7.581, 8.143, 20.746], [-11.068, 6.615, 22.75], [-11.388, 8.347, 19.435]]}, "name": "3HTN", "num_of_chains": 3, "seq": "NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPK----DDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER"} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/seqs/3HTN.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..fb00c793f823fd09a2385d8fa7f5a2ca958cf9c0 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1439, fixed_chains=['B'], designed_chains=['A', 'C'], model_name=v_48_020 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=0, score=0.7451, seq_recovery=0.5849 +NMYKYKKIGNKYIVSINNHTEIVKAIKEFCKEKNIKSGTVNGTGQISKLTLRFYNMETKTSTDTTFNQNLDISNLTGFISEHENEVFLDLHITAGDSNFSALAGHLISAISNGTCELVVEDFKEKLSTKYDEETGLYLLDFEK/NMYKYKKIGNKYIVSINNHTEIVKAIKKFCEDKNIKSGTINGIGTISSLTLEFYDIKTKKKKLKTFNAQLEISNLTGIISTKNGEVFLDLHVTVGDSNFSALAGHLVSAVVNGTAKLVVEDYKEEVNVKYDEELGLYLLDFNL +>T=0.1, sample=0, score=0.7454, seq_recovery=0.5887 +NMYKYKKIGNKYIVSINNHTEIVKAIKEFCKEKNIKSGTVNGIGQVSSVTLKFYNPETKESTLKTFNKLLDISNLTGFISTYNNEVFLDLHITFGDSDFSALAGHLVSAIVDGYAELIVEDYNENISMKYDEELGLWKLDFEK/NMYKYKKIGNKYIVSINNHTNIVKAIKKFCEDKKIKSGTINGIGQISKLTLAFRNIETGEVDLKTFNDNYTISNLTGFISTINGKVFLDLHITVGNSNFSALAGHLIDAISNGTVNLVIEDYKEEINKKYNEELGLWLLDFNL diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/seqs/4YOW.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..a33e1c6d5b212c1f65417a17a8d08fb211f549b6 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.1085, fixed_chains=['B', 'D', 'E', 'F'], designed_chains=['A', 'C'], model_name=v_48_020 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS +>T=0.1, sample=0, score=0.7336, seq_recovery=0.6074 +MKIVAADTGGAVLDESFQPVGLIATVAVVVEKPYRTSERYKVEYLDPFNYDLTGHEGIYREIRLAIELAREVKPDLIHLDIDLGGVNVAELTPEVIDALQISAETKEVLKELAKELTPLAQEFLAETGIPILAIGDRSVPVHIADIAASGAAVKWALEHVKERKGLRVGLVYATEVEIKEDKIIVRSLDPRDGGLYFEIETEIPEGITWELYPNPLELNHMVFEVTV/MKIVAADTGGALLDENYQPVGLIATVAVVVTYPYRTSDVFKVRYLDPLAYDLASDEHLRLELELAIELAKEVKPDEIHLDLDLGGVDVASLTPEVINALQISPETKARLLELAKELAPLAAAFRKETGIPIKAVGERSVAVRIAEIYASAEAVRWALEHVKERGGLRVLLEEAVSVEIGEDSITARSLDPRHGGLYQEVPVEVPEGVTWELYPNPLRANHMIFEVTV +>T=0.1, sample=0, score=0.7137, seq_recovery=0.6143 +MKIVAADTGGAVLDESFQPVGLIATVAVLVEKPYRTSDEYLVRYHDPYKYDLTGHQDLRDEVELAIELAEKVKPDLIHLDVDLGGVELATLTPEVIDALPISAETKATLKELAKTLTPLAQKFLAKTGIPIRLIGDRSVPVHIADIAASVYAVKWALENVKKHKGLRVRLVEATEVEIGENEIIGRSLDPRDGGLYFRVETKIPEGIEYKLYPDPLRRHHMVFEVTV/MKIVAADTGGALLDENYQPVGLIATVAVVVTYPYTTSDVFKVRYLDPTAYDLSSDEHLRHEVELAIELAKEVNPDEIHLDLDLGGVDVADLTPEVIDALQISPETRARLKELAKELAPLAAAFKAETGIPIKAIGERSVAVHIAEIYASIYSVKWALEHVKERKGLRVGLEEAVSVEIKEDRIIGRSLDPRDGGLYGEVEVEVPEGIEWELYPNPLRSGHMVFEVTV diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/tied_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/tied_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..3cc26db2403d10a9a03bcac627ebbbcb7f9da7a8 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_5_outputs/tied_pdbs.jsonl @@ -0,0 +1 @@ +{"4YOW": [{"A": [1], "C": [1]}, {"A": [2], "C": [2]}, {"A": [3], "C": [3]}, {"A": [4], "C": [4]}, {"A": [5], "C": [5]}, {"A": [6], "C": [6]}, {"A": [7], "C": [7]}, {"A": [8], "C": [8]}], "3HTN": [{"A": [1], "C": [1]}, {"A": [2], "C": [2]}, {"A": [3], "C": [3]}, {"A": [4], "C": [4]}, {"A": [5], "C": [5]}, {"A": [6], "C": [6]}, {"A": [7], "C": [7]}, {"A": [8], "C": [8]}]} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/bias_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/bias_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..c3e44cdfbdf30772978127cdaf4072baca63c020 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/bias_pdbs.jsonl @@ -0,0 +1 @@ +{"G": 40.1, "P": 0.3, "A": -0.05} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/parsed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..737238e0fc0cdf12168d44509452048e5ed18fee --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS", "coords_chain_A": {"N_chain_A": [[19.438, 46.146, -8.578], [16.845, 44.398, -10.36], [13.735, 43.284, -9.772], 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0.924], [0.688, 23.153, -0.064], [0.672, 21.372, 4.228], [-0.792, 17.312, 2.434], [-1.821, 15.885, 6.336], [-1.511, 11.465, 5.386], [-2.691, 8.821, 8.387], [-5.676, 6.865, 8.217], [-6.497, 10.54, 11.21], [-7.561, 9.434, 14.525], [-9.566, 13.908, 14.915], [-9.403, 14.505, 19.087], [-13.551, 15.901, 20.239], [-12.509, 18.752, 23.907], [-15.131, 19.171, 26.301], [-13.837, 23.364, 27.785], [-15.78, 25.291, 30.304], [-12.695, 26.548, 31.709], [-11.76, 27.69, 27.86], [-13.322, 27.108, 24.348], [-12.128, 22.563, 24.57], [-9.457, 21.609, 21.151], [-9.668, 17.471, 22.419], [-7.543, 15.591, 23.549], [-9.337, 11.639, 20.973], [-7.581, 8.143, 20.746], [-11.068, 6.615, 22.75], [-11.388, 8.347, 19.435]]}, "name": "3HTN", "num_of_chains": 3, "seq": "NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPK----DDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFERNMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER"} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/seqs/3HTN.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..58745a6d9875d788f481fd49e3fbf3b37296dca9 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.2048, fixed_chains=[], designed_chains=['A', 'B', 'C'], model_name=v_48_020 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKXXXXDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=0, score=2.4061, seq_recovery=0.0847 +GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGXXXXGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG +>T=0.1, sample=0, score=2.4041, seq_recovery=0.0847 +GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGXXXXGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/seqs/4YOW.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..1c0120d16d66e42ce797cefc7b9b58819d9beb06 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/example_7_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.1322, fixed_chains=[], designed_chains=['A', 'B', 'C', 'D', 'E', 'F'], model_name=v_48_020 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/XXXX/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/XXXX/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/XXXX +>T=0.1, sample=0, score=2.7441, seq_recovery=0.0793 +GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/XXXX/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/XXXX/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/XXXX +>T=0.1, sample=0, score=2.6962, seq_recovery=0.0793 +GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/XXXX/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/XXXX/GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG/XXXX diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/pdbs/3HTN.pdb b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/pdbs/3HTN.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b303f9a5084319e4911d8b84e9493007f2640e66 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/pdbs/3HTN.pdb @@ -0,0 +1,5240 @@ +HEADER METAL BINDING PROTEIN 12-JUN-09 3HTN +TITLE CRYSTAL STRUCTURE OF A PUTATIVE DNA BINDING PROTEIN (BT_1116) FROM +TITLE 2 BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 1.50 A RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PUTATIVE DNA BINDING PROTEIN; +COMPND 3 CHAIN: A, B, C; +COMPND 4 FRAGMENT: RESIDUES 38-185; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; +SOURCE 3 ORGANISM_TAXID: 226186; +SOURCE 4 GENE: BT_1116, NP_810029.1; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; +SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET +KEYWDS DUF269 FAMILY PROTEIN, STRUCTURAL GENOMICS, JOINT CENTER FOR +KEYWDS 2 STRUCTURAL GENOMICS, JCSG, PROTEIN STRUCTURE INITIATIVE, PSI-2, +KEYWDS 3 METAL BINDING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) +REVDAT 6 24-JUL-19 3HTN 1 REMARK LINK +REVDAT 5 25-OCT-17 3HTN 1 REMARK +REVDAT 4 13-JUL-11 3HTN 1 VERSN +REVDAT 3 23-MAR-11 3HTN 1 HEADER TITLE KEYWDS +REVDAT 2 24-NOV-09 3HTN 1 JRNL TITLE SOURCE +REVDAT 1 30-JUN-09 3HTN 0 +JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) +JRNL TITL CRYSTAL STRUCTURE OF PUTATIVE DNA BINDING PROTEIN +JRNL TITL 2 (NP_810029.1) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT +JRNL TITL 3 1.50 A RESOLUTION +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.2.0019 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.68 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 +REMARK 3 NUMBER OF REFLECTIONS : 79234 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.145 +REMARK 3 R VALUE (WORKING SET) : 0.143 +REMARK 3 FREE R VALUE : 0.167 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 3974 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.50 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.54 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 5515 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.85 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2190 +REMARK 3 BIN FREE R VALUE SET COUNT : 309 +REMARK 3 BIN FREE R VALUE : 0.2350 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3342 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 96 +REMARK 3 SOLVENT ATOMS : 553 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 B VALUE TYPE : LIKELY RESIDUAL +REMARK 3 FROM WILSON PLOT (A**2) : 16.81 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.75 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.02000 +REMARK 3 B22 (A**2) : 0.02000 +REMARK 3 B33 (A**2) : -0.04000 +REMARK 3 B12 (A**2) : 0.01000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.059 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.061 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.266 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.977 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.969 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3811 ; 0.013 ; 0.022 +REMARK 3 BOND LENGTHS OTHERS (A): 2544 ; 0.004 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 5176 ; 1.584 ; 1.967 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 6236 ; 1.134 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 493 ; 5.308 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 177 ;40.897 ;24.463 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 659 ; 9.688 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 20 ;13.132 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 554 ; 0.080 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 4383 ; 0.007 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 789 ; 0.003 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 643 ; 0.200 ; 0.300 +REMARK 3 NON-BONDED CONTACTS OTHERS (A): 2827 ; 0.177 ; 0.300 +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1869 ; 0.175 ; 0.500 +REMARK 3 NON-BONDED TORSION OTHERS (A): 2230 ; 0.088 ; 0.500 +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 867 ; 0.170 ; 0.500 +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 2 ; 0.153 ; 0.500 +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 11 ; 0.211 ; 0.300 +REMARK 3 SYMMETRY VDW OTHERS (A): 61 ; 0.240 ; 0.300 +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 55 ; 0.164 ; 0.500 +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 2491 ; 1.702 ; 3.000 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 951 ; 0.418 ; 3.000 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 3766 ; 2.354 ; 5.000 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1618 ; 3.678 ; 7.000 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1410 ; 5.051 ; 9.000 +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 3 +REMARK 3 +REMARK 3 TLS GROUP : 1 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : A 43 A 185 +REMARK 3 ORIGIN FOR THE GROUP (A): 14.8005 29.9020 1.0218 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0142 T22: -0.0051 +REMARK 3 T33: -0.0228 T12: 0.0464 +REMARK 3 T13: 0.0115 T23: 0.0062 +REMARK 3 L TENSOR +REMARK 3 L11: 0.6651 L22: 0.4066 +REMARK 3 L33: 0.6363 L12: -0.1160 +REMARK 3 L13: 0.3944 L23: -0.3913 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0630 S12: 0.1431 S13: -0.0207 +REMARK 3 S21: -0.0942 S22: -0.1062 S23: -0.1167 +REMARK 3 S31: 0.1455 S32: 0.1821 S33: 0.0432 +REMARK 3 +REMARK 3 TLS GROUP : 2 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : B 43 B 185 +REMARK 3 ORIGIN FOR THE GROUP (A): 11.9268 22.2079 21.8894 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0255 T22: -0.0366 +REMARK 3 T33: -0.0177 T12: 0.0116 +REMARK 3 T13: -0.0189 T23: 0.0149 +REMARK 3 L TENSOR +REMARK 3 L11: 0.9358 L22: 0.6127 +REMARK 3 L33: 0.2298 L12: -0.5208 +REMARK 3 L13: 0.0602 L23: -0.2007 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0109 S12: -0.0879 S13: -0.0706 +REMARK 3 S21: 0.0992 S22: -0.0283 S23: -0.0347 +REMARK 3 S31: 0.0671 S32: 0.0257 S33: 0.0174 +REMARK 3 +REMARK 3 TLS GROUP : 3 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : C 43 C 185 +REMARK 3 ORIGIN FOR THE GROUP (A): -5.7822 26.9582 9.4922 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0029 T22: -0.0314 +REMARK 3 T33: -0.0072 T12: -0.0204 +REMARK 3 T13: -0.0064 T23: -0.0229 +REMARK 3 L TENSOR +REMARK 3 L11: 0.3396 L22: 0.5234 +REMARK 3 L33: 0.4251 L12: -0.0970 +REMARK 3 L13: -0.0165 L23: -0.4114 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0313 S12: 0.0351 S13: -0.0545 +REMARK 3 S21: -0.0567 S22: -0.0024 S23: 0.1057 +REMARK 3 S31: 0.0601 S32: -0.0813 S33: -0.0289 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : BABINET MODEL WITH MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 1.HYDROGENS HAVE BEEN ADDED IN THE +REMARK 3 RIDING POSITIONS. 2.ATOM RECORD CONTAINS RESIDUAL B FACTORS +REMARK 3 ONLY. 3.A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE +REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE +REMARK 3 ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 TO ACCOUNT FOR THE +REMARK 3 REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. +REMARK 3 4.SULPHATE ANIONS AND PEG MOLECULES FROM CRYSTALLIZATION ARE +REMARK 3 MODELED IN THE STRUCTURE, RESPECTIVELY. 5.NI AND FE METAL IONS +REMARK 3 FROM PROTEIN EXPRESSION AND PURIFICATION ARE MODELED IN THE +REMARK 3 STRUCTURE. THE PRESENCE OF NI AND FE ARE SUPPORTED BY X-RAY +REMARK 3 FLUORESCENCE, BINDING GEOMETRY AND ANOMALOUS DIFFERENCE FOURIERS +REMARK 3 ABOVE AND BELOW THE NI AND FE ABSORPTION EDGE, RESPECTIVELY. +REMARK 4 +REMARK 4 3HTN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUN-09. +REMARK 100 THE DEPOSITION ID IS D_1000053568. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 18-FEB-09 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 8.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SSRL +REMARK 200 BEAMLINE : BL11-1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.91837,0.97908,0.97840 +REMARK 200 MONOCHROMATOR : SINGLE CRYSTAL SI(111) BENT +REMARK 200 MONOCHROMATOR (HORIZONTAL +REMARK 200 FOCUSING) +REMARK 200 OPTICS : FLAT MIRROR (VERTICAL FOCUSING) +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XSCALE +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 79258 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 29.683 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 97.1 +REMARK 200 DATA REDUNDANCY : 3.770 +REMARK 200 R MERGE (I) : 0.04800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 10.5600 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.55 +REMARK 200 COMPLETENESS FOR SHELL (%) : 95.2 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.55200 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.600 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD +REMARK 200 SOFTWARE USED: SHELX, SHELXD, AUTOSHARP +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 51.31 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.53 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 34.0000% POLYETHYLENE GLYCOL 400, +REMARK 280 0.2000M LITHIUM SULFATE, 0.1M TRIS PH 8.0, NANODROP, VAPOR +REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 35.92533 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 17.96267 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 300 REMARK: THE RESULTS FROM SIZE EXCLUSION CHROMATOGRAPHY SUPPORTS +REMARK 300 THE ASSIGNMENT OF A TRIMER AS A SIGNIFICANT OLIGOMERIZATION +REMARK 300 STATE. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 11030 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 16900 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -200.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 0 +REMARK 465 ALA A 38 +REMARK 465 GLN A 39 +REMARK 465 ASN A 40 +REMARK 465 GLU A 41 +REMARK 465 LYS A 42 +REMARK 465 GLY B 0 +REMARK 465 ALA B 38 +REMARK 465 GLN B 39 +REMARK 465 ASN B 40 +REMARK 465 GLU B 41 +REMARK 465 LYS B 42 +REMARK 465 THR B 100 +REMARK 465 LYS B 101 +REMARK 465 ALA B 102 +REMARK 465 TYR B 103 +REMARK 465 GLY C 0 +REMARK 465 ALA C 38 +REMARK 465 GLN C 39 +REMARK 465 ASN C 40 +REMARK 465 GLU C 41 +REMARK 465 LYS C 42 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 LYS A 99 CD CE NZ +REMARK 470 ASN A 125 CG OD1 ND2 +REMARK 470 GLU A 126 CG CD OE1 OE2 +REMARK 470 GLN A 127 CD OE1 NE2 +REMARK 470 LYS B 99 CG CD CE NZ +REMARK 470 ASP B 104 CG OD1 OD2 +REMARK 470 LYS C 75 NZ +REMARK 470 LYS C 99 CG CD CE NZ +REMARK 470 GLU C 184 OE1 OE2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 OH TYR B 45 OE2 GLU B 74 2.11 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 TYR B 141 -2.73 72.61 +REMARK 500 TYR C 141 -0.87 71.11 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 1PE A 206 +REMARK 610 1PE B 212 +REMARK 610 1PE C 216 +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NI A 201 NI +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 131 NE2 +REMARK 620 2 HIS A 133 NE2 93.9 +REMARK 620 3 HIS A 147 ND1 108.7 97.7 +REMARK 620 4 HOH A 410 O 102.8 161.7 84.2 +REMARK 620 5 HOH A 410 O 152.2 102.7 91.3 59.0 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 FE B 207 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 131 NE2 +REMARK 620 2 HIS B 133 NE2 97.2 +REMARK 620 3 HIS B 147 ND1 106.0 97.8 +REMARK 620 4 HOH B 528 O 86.2 172.8 87.4 +REMARK 620 5 HOH B 519 O 155.4 103.9 83.8 71.5 +REMARK 620 N 1 2 3 4 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 203 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 204 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE A 205 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE A 206 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE B 207 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI B 208 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 209 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 210 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 211 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE B 212 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 C 213 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 C 214 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE C 215 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE C 216 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 393032 RELATED DB: TARGETDB +REMARK 999 +REMARK 999 SEQUENCE +REMARK 999 THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG +REMARK 999 MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING +REMARK 999 ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. THE CLONED +REMARK 999 CONSTRUCT CONTAINS RESIDUES 38-185 OF THE FULL LENGTH PROTEIN. +DBREF 3HTN A 38 185 UNP Q8A8Q1 Q8A8Q1_BACTN 38 185 +DBREF 3HTN B 38 185 UNP Q8A8Q1 Q8A8Q1_BACTN 38 185 +DBREF 3HTN C 38 185 UNP Q8A8Q1 Q8A8Q1_BACTN 38 185 +SEQADV 3HTN GLY A 0 UNP Q8A8Q1 LEADER SEQUENCE +SEQADV 3HTN GLY B 0 UNP Q8A8Q1 LEADER SEQUENCE +SEQADV 3HTN GLY C 0 UNP Q8A8Q1 LEADER SEQUENCE +SEQRES 1 A 149 GLY ALA GLN ASN GLU LYS ASN MSE TYR SER TYR LYS LYS +SEQRES 2 A 149 ILE GLY ASN LYS TYR ILE VAL SER ILE ASN ASN HIS THR +SEQRES 3 A 149 GLU ILE VAL LYS ALA LEU ASN ALA PHE CYS LYS GLU LYS +SEQRES 4 A 149 GLY ILE LEU SER GLY SER ILE ASN GLY ILE GLY ALA ILE +SEQRES 5 A 149 GLY GLU LEU THR LEU ARG PHE PHE ASN PRO LYS THR LYS +SEQRES 6 A 149 ALA TYR ASP ASP LYS THR PHE ARG GLU GLN MSE GLU ILE +SEQRES 7 A 149 SER ASN LEU THR GLY ASN ILE SER SER MSE ASN GLU GLN +SEQRES 8 A 149 VAL TYR LEU HIS LEU HIS ILE THR VAL GLY ARG SER ASP +SEQRES 9 A 149 TYR SER ALA LEU ALA GLY HIS LEU LEU SER ALA ILE GLN +SEQRES 10 A 149 ASN GLY ALA GLY GLU PHE VAL VAL GLU ASP TYR SER GLU +SEQRES 11 A 149 ARG ILE SER ARG THR TYR ASN PRO ASP LEU GLY LEU ASN +SEQRES 12 A 149 ILE TYR ASP PHE GLU ARG +SEQRES 1 B 149 GLY ALA GLN ASN GLU LYS ASN MSE TYR SER TYR LYS LYS +SEQRES 2 B 149 ILE GLY ASN LYS TYR ILE VAL SER ILE ASN ASN HIS THR +SEQRES 3 B 149 GLU ILE VAL LYS ALA LEU ASN ALA PHE CYS LYS GLU LYS +SEQRES 4 B 149 GLY ILE LEU SER GLY SER ILE ASN GLY ILE GLY ALA ILE +SEQRES 5 B 149 GLY GLU LEU THR LEU ARG PHE PHE ASN PRO LYS THR LYS +SEQRES 6 B 149 ALA TYR ASP ASP LYS THR PHE ARG GLU GLN MSE GLU ILE +SEQRES 7 B 149 SER ASN LEU THR GLY ASN ILE SER SER MSE ASN GLU GLN +SEQRES 8 B 149 VAL TYR LEU HIS LEU HIS ILE THR VAL GLY ARG SER ASP +SEQRES 9 B 149 TYR SER ALA LEU ALA GLY HIS LEU LEU SER ALA ILE GLN +SEQRES 10 B 149 ASN GLY ALA GLY GLU PHE VAL VAL GLU ASP TYR SER GLU +SEQRES 11 B 149 ARG ILE SER ARG THR TYR ASN PRO ASP LEU GLY LEU ASN +SEQRES 12 B 149 ILE TYR ASP PHE GLU ARG +SEQRES 1 C 149 GLY ALA GLN ASN GLU LYS ASN MSE TYR SER TYR LYS LYS +SEQRES 2 C 149 ILE GLY ASN LYS TYR ILE VAL SER ILE ASN ASN HIS THR +SEQRES 3 C 149 GLU ILE VAL LYS ALA LEU ASN ALA PHE CYS LYS GLU LYS +SEQRES 4 C 149 GLY ILE LEU SER GLY SER ILE ASN GLY ILE GLY ALA ILE +SEQRES 5 C 149 GLY GLU LEU THR LEU ARG PHE PHE ASN PRO LYS THR LYS +SEQRES 6 C 149 ALA TYR ASP ASP LYS THR PHE ARG GLU GLN MSE GLU ILE +SEQRES 7 C 149 SER ASN LEU THR GLY ASN ILE SER SER MSE ASN GLU GLN +SEQRES 8 C 149 VAL TYR LEU HIS LEU HIS ILE THR VAL GLY ARG SER ASP +SEQRES 9 C 149 TYR SER ALA LEU ALA GLY HIS LEU LEU SER ALA ILE GLN +SEQRES 10 C 149 ASN GLY ALA GLY GLU PHE VAL VAL GLU ASP TYR SER GLU +SEQRES 11 C 149 ARG ILE SER ARG THR TYR ASN PRO ASP LEU GLY LEU ASN +SEQRES 12 C 149 ILE TYR ASP PHE GLU ARG +MODRES 3HTN MSE A 44 MET SELENOMETHIONINE +MODRES 3HTN MSE A 112 MET SELENOMETHIONINE +MODRES 3HTN MSE A 124 MET SELENOMETHIONINE +MODRES 3HTN MSE B 44 MET SELENOMETHIONINE +MODRES 3HTN MSE B 112 MET SELENOMETHIONINE +MODRES 3HTN MSE B 124 MET SELENOMETHIONINE +MODRES 3HTN MSE C 44 MET SELENOMETHIONINE +MODRES 3HTN MSE C 112 MET SELENOMETHIONINE +MODRES 3HTN MSE C 124 MET SELENOMETHIONINE +HET MSE A 44 16 +HET MSE A 112 8 +HET MSE A 124 8 +HET MSE B 44 16 +HET MSE B 112 8 +HET MSE B 124 8 +HET MSE C 44 16 +HET MSE C 112 8 +HET MSE C 124 8 +HET NI A 201 1 +HET SO4 A 202 5 +HET SO4 A 203 5 +HET SO4 A 204 5 +HET 1PE A 205 16 +HET 1PE A 206 7 +HET FE B 207 1 +HET NI B 208 1 +HET SO4 B 209 5 +HET SO4 B 210 5 +HET SO4 B 211 5 +HET 1PE B 212 7 +HET SO4 C 213 5 +HET SO4 C 214 5 +HET 1PE C 215 16 +HET 1PE C 216 7 +HETNAM MSE SELENOMETHIONINE +HETNAM NI NICKEL (II) ION +HETNAM SO4 SULFATE ION +HETNAM 1PE PENTAETHYLENE GLYCOL +HETNAM FE FE (III) ION +HETSYN 1PE PEG400 +FORMUL 1 MSE 9(C5 H11 N O2 SE) +FORMUL 4 NI 2(NI 2+) +FORMUL 5 SO4 8(O4 S 2-) +FORMUL 8 1PE 5(C10 H22 O6) +FORMUL 10 FE FE 3+ +FORMUL 20 HOH *553(H2 O) +HELIX 1 1 GLU A 63 GLY A 76 1 14 +HELIX 2 2 GLU B 63 LYS B 75 1 13 +HELIX 3 3 GLU C 63 GLY C 76 1 14 +SHEET 1 A 5 TYR A 45 ILE A 50 0 +SHEET 2 A 5 LYS A 53 ILE A 58 -1 O SER A 57 N SER A 46 +SHEET 3 A 5 ALA A 143 ASP A 163 -1 O PHE A 159 N VAL A 56 +SHEET 4 A 5 GLY A 80 PHE A 96 -1 N ASN A 83 O VAL A 160 +SHEET 5 A 5 TYR A 103 PHE A 108 -1 O PHE A 108 N LEU A 91 +SHEET 1 B 7 TYR A 45 ILE A 50 0 +SHEET 2 B 7 LYS A 53 ILE A 58 -1 O SER A 57 N SER A 46 +SHEET 3 B 7 ALA A 143 ASP A 163 -1 O PHE A 159 N VAL A 56 +SHEET 4 B 7 GLN A 127 GLY A 137 -1 N VAL A 136 O LEU A 144 +SHEET 5 B 7 MSE A 112 MSE A 124 -1 N THR A 118 O HIS A 133 +SHEET 6 B 7 GLY A 80 PHE A 96 -1 N GLY A 86 O ILE A 114 +SHEET 7 B 7 TYR A 103 PHE A 108 -1 O PHE A 108 N LEU A 91 +SHEET 1 C 2 SER A 169 ASN A 173 0 +SHEET 2 C 2 LEU A 178 ASP A 182 -1 O LEU A 178 N ASN A 173 +SHEET 1 D 5 TYR B 45 ILE B 50 0 +SHEET 2 D 5 LYS B 53 ILE B 58 -1 O SER B 57 N SER B 46 +SHEET 3 D 5 ALA B 143 ASP B 163 -1 O PHE B 159 N VAL B 56 +SHEET 4 D 5 GLY B 80 ARG B 94 -1 N ASN B 83 O VAL B 160 +SHEET 5 D 5 ASP B 105 PHE B 108 -1 O PHE B 108 N LEU B 91 +SHEET 1 E 7 TYR B 45 ILE B 50 0 +SHEET 2 E 7 LYS B 53 ILE B 58 -1 O SER B 57 N SER B 46 +SHEET 3 E 7 ALA B 143 ASP B 163 -1 O PHE B 159 N VAL B 56 +SHEET 4 E 7 GLN B 127 GLY B 137 -1 N LEU B 132 O LEU B 148 +SHEET 5 E 7 MSE B 112 MSE B 124 -1 N THR B 118 O HIS B 133 +SHEET 6 E 7 GLY B 80 ARG B 94 -1 N GLY B 86 O ILE B 114 +SHEET 7 E 7 ASP B 105 PHE B 108 -1 O PHE B 108 N LEU B 91 +SHEET 1 F 2 SER B 169 ASN B 173 0 +SHEET 2 F 2 LEU B 178 ASP B 182 -1 O LEU B 178 N ASN B 173 +SHEET 1 G 5 TYR C 45 ILE C 50 0 +SHEET 2 G 5 LYS C 53 ILE C 58 -1 O LYS C 53 N ILE C 50 +SHEET 3 G 5 ALA C 143 ASP C 163 -1 O PHE C 159 N VAL C 56 +SHEET 4 G 5 GLY C 80 PHE C 96 -1 N THR C 92 O SER C 150 +SHEET 5 G 5 TYR C 103 PHE C 108 -1 O PHE C 108 N LEU C 91 +SHEET 1 H 7 TYR C 45 ILE C 50 0 +SHEET 2 H 7 LYS C 53 ILE C 58 -1 O LYS C 53 N ILE C 50 +SHEET 3 H 7 ALA C 143 ASP C 163 -1 O PHE C 159 N VAL C 56 +SHEET 4 H 7 GLN C 127 GLY C 137 -1 N VAL C 136 O LEU C 144 +SHEET 5 H 7 MSE C 112 MSE C 124 -1 N THR C 118 O HIS C 133 +SHEET 6 H 7 GLY C 80 PHE C 96 -1 N GLY C 86 O ILE C 114 +SHEET 7 H 7 TYR C 103 PHE C 108 -1 O PHE C 108 N LEU C 91 +SHEET 1 I 2 SER C 169 ASN C 173 0 +SHEET 2 I 2 LEU C 178 ASP C 182 -1 O LEU C 178 N ASN C 173 +LINK C ASN A 43 N AMSE A 44 1555 1555 1.33 +LINK C ASN A 43 N BMSE A 44 1555 1555 1.33 +LINK C AMSE A 44 N TYR A 45 1555 1555 1.33 +LINK C BMSE A 44 N TYR A 45 1555 1555 1.33 +LINK C GLN A 111 N MSE A 112 1555 1555 1.32 +LINK C MSE A 112 N GLU A 113 1555 1555 1.33 +LINK C SER A 123 N MSE A 124 1555 1555 1.33 +LINK C MSE A 124 N ASN A 125 1555 1555 1.33 +LINK C ASN B 43 N AMSE B 44 1555 1555 1.33 +LINK C ASN B 43 N BMSE B 44 1555 1555 1.33 +LINK C AMSE B 44 N TYR B 45 1555 1555 1.33 +LINK C BMSE B 44 N TYR B 45 1555 1555 1.33 +LINK C GLN B 111 N MSE B 112 1555 1555 1.33 +LINK C MSE B 112 N GLU B 113 1555 1555 1.32 +LINK C SER B 123 N MSE B 124 1555 1555 1.32 +LINK C MSE B 124 N ASN B 125 1555 1555 1.34 +LINK C ASN C 43 N AMSE C 44 1555 1555 1.33 +LINK C ASN C 43 N BMSE C 44 1555 1555 1.33 +LINK C AMSE C 44 N TYR C 45 1555 1555 1.33 +LINK C BMSE C 44 N TYR C 45 1555 1555 1.33 +LINK C GLN C 111 N MSE C 112 1555 1555 1.33 +LINK C MSE C 112 N GLU C 113 1555 1555 1.32 +LINK C SER C 123 N MSE C 124 1555 1555 1.32 +LINK C MSE C 124 N ASN C 125 1555 1555 1.33 +LINK NE2 HIS A 131 NI NI A 201 1555 1555 2.18 +LINK NE2 HIS A 133 NI NI A 201 1555 1555 2.26 +LINK ND1BHIS A 147 NI NI A 201 1555 1555 2.23 +LINK NE2 HIS B 61 NI NI B 208 1555 1555 2.18 +LINK NE2 HIS B 131 FE FE B 207 1555 1555 2.10 +LINK NE2 HIS B 133 FE FE B 207 1555 1555 2.19 +LINK ND1AHIS B 147 FE FE B 207 1555 1555 2.36 +LINK NI NI A 201 O AHOH A 410 1555 1555 1.71 +LINK NI NI A 201 O BHOH A 410 1555 1555 1.83 +LINK FE FE B 207 O HOH B 528 1555 1555 2.06 +LINK FE FE B 207 O HOH B 519 1555 1555 1.87 +SITE 1 AC1 5 HIS A 131 HIS A 133 HIS A 147 HOH A 410 +SITE 2 AC1 5 HOH C 619 +SITE 1 AC2 11 LYS A 106 PHE A 108 ARG A 138 HOH A 294 +SITE 2 AC2 11 HOH A 304 HOH A 398 HOH B 524 ASN C 97 +SITE 3 AC2 11 THR C 100 ALA C 102 HOH C 737 +SITE 1 AC3 7 ASN A 52 LYS A 53 GLU A 162 ASN B 52 +SITE 2 AC3 7 LYS B 53 ASN C 52 LYS C 53 +SITE 1 AC4 8 SER A 123 MSE A 124 ASN A 125 GLU A 126 +SITE 2 AC4 8 ARG A 167 SER A 169 HOH A 271 HOH A 335 +SITE 1 AC5 5 ARG A 94 TYR A 103 TYR A 129 HIS A 147 +SITE 2 AC5 5 HOH A 287 +SITE 1 AC6 4 ASN A 60 HIS A 61 HOH A 352 LEU B 176 +SITE 1 AC7 6 HOH A 269 HIS B 131 HIS B 133 HIS B 147 +SITE 2 AC7 6 HOH B 519 HOH B 528 +SITE 1 AC8 2 HIS B 61 HOH B 500 +SITE 1 AC9 6 LYS B 106 PHE B 108 ARG B 138 1PE B 212 +SITE 2 AC9 6 HOH B 531 HOH B 567 +SITE 1 BC1 7 ASN B 125 ARG B 167 SER B 169 ARG B 185 +SITE 2 BC1 7 HOH B 473 HOH B 494 HOH B 571 +SITE 1 BC2 4 LYS B 49 TYR B 54 LYS B 75 HOH B 573 +SITE 1 BC3 6 GLU B 110 ARG B 138 SER B 139 ASP B 140 +SITE 2 BC3 6 SO4 B 209 HOH B 584 +SITE 1 BC4 7 MSE C 124 ASN C 125 ARG C 167 SER C 169 +SITE 2 BC4 7 ARG C 185 HOH C 622 HOH C 673 +SITE 1 BC5 11 ASN A 97 THR A 100 ALA A 102 HOH A 353 +SITE 2 BC5 11 LYS C 106 ARG C 138 HOH C 655 HOH C 671 +SITE 3 BC5 11 HOH C 697 HOH C 743 HOH C 758 +SITE 1 BC6 6 ARG A 109 ARG C 94 PHE C 96 TYR C 103 +SITE 2 BC6 6 TYR C 129 HIS C 147 +SITE 1 BC7 5 TYR C 47 LYS C 49 TYR C 54 LYS C 75 +SITE 2 BC7 5 HOH C 677 +CRYST1 90.688 90.688 53.888 90.00 90.00 120.00 P 32 9 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.011027 0.006366 0.000000 0.00000 +SCALE2 0.000000 0.012733 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.018557 0.00000 +ATOM 1 N ASN A 43 33.214 24.542 0.024 1.00 42.24 N +ATOM 2 CA ASN A 43 32.335 23.730 0.916 1.00 39.35 C +ATOM 3 C ASN A 43 31.423 24.664 1.708 1.00 33.60 C +ATOM 4 O ASN A 43 31.909 25.592 2.367 1.00 37.53 O +ATOM 5 CB ASN A 43 33.151 22.863 1.871 1.00 42.41 C +ATOM 6 CG ASN A 43 32.305 21.780 2.551 1.00 46.71 C +ATOM 7 OD1 ASN A 43 31.613 21.008 1.879 1.00 55.82 O +ATOM 8 ND2 ASN A 43 32.373 21.710 3.885 1.00 53.84 N +HETATM 9 N AMSE A 44 30.113 24.433 1.633 0.50 27.70 N +HETATM 10 N BMSE A 44 30.116 24.415 1.631 0.50 27.82 N +HETATM 11 CA AMSE A 44 29.138 25.284 2.317 0.50 22.82 C +HETATM 12 CA BMSE A 44 29.112 25.269 2.259 0.50 23.09 C +HETATM 13 C AMSE A 44 28.268 24.581 3.360 0.50 20.80 C +HETATM 14 C BMSE A 44 28.268 24.581 3.340 0.50 20.92 C +HETATM 15 O AMSE A 44 27.575 25.251 4.118 0.50 18.80 O +HETATM 16 O BMSE A 44 27.590 25.264 4.100 0.50 18.86 O +HETATM 17 CB AMSE A 44 28.260 25.969 1.270 0.50 23.14 C +HETATM 18 CB BMSE A 44 28.200 25.826 1.164 0.50 23.05 C +HETATM 19 CG AMSE A 44 28.983 27.087 0.547 0.50 21.03 C +HETATM 20 CG BMSE A 44 28.955 26.568 0.065 0.50 21.47 C +HETATM 21 SE AMSE A 44 27.806 28.022 -0.640 0.38 19.08 SE +HETATM 22 SE BMSE A 44 27.777 27.306 -1.240 0.37 20.86 SE +HETATM 23 CE AMSE A 44 27.692 26.660 -2.041 0.50 26.50 C +HETATM 24 CE BMSE A 44 27.000 28.730 -0.109 0.50 30.68 C +ATOM 25 N TYR A 45 28.310 23.252 3.427 1.00 18.51 N +ATOM 26 CA TYR A 45 27.440 22.526 4.340 1.00 19.49 C +ATOM 27 C TYR A 45 27.897 21.095 4.516 1.00 18.48 C +ATOM 28 O TYR A 45 28.710 20.582 3.728 1.00 18.04 O +ATOM 29 CB TYR A 45 25.997 22.502 3.778 1.00 18.51 C +ATOM 30 CG TYR A 45 25.935 22.050 2.347 1.00 16.97 C +ATOM 31 CD1 TYR A 45 26.057 20.697 2.002 1.00 17.25 C +ATOM 32 CD2 TYR A 45 25.819 22.981 1.315 1.00 17.98 C +ATOM 33 CE1 TYR A 45 26.070 20.301 0.674 1.00 21.58 C +ATOM 34 CE2 TYR A 45 25.820 22.588 -0.014 1.00 20.44 C +ATOM 35 CZ TYR A 45 25.931 21.252 -0.324 1.00 17.76 C +ATOM 36 OH TYR A 45 25.935 20.880 -1.651 1.00 24.06 O +ATOM 37 N ASER A 46 27.385 20.463 5.570 0.50 18.60 N +ATOM 38 N BSER A 46 27.358 20.483 5.569 0.50 18.55 N +ATOM 39 CA ASER A 46 27.505 19.024 5.792 0.50 17.90 C +ATOM 40 CA BSER A 46 27.456 19.062 5.854 0.50 18.06 C +ATOM 41 C ASER A 46 26.072 18.535 5.975 0.50 17.41 C +ATOM 42 C BSER A 46 26.019 18.571 5.828 0.50 17.46 C +ATOM 43 O ASER A 46 25.198 19.297 6.413 0.50 16.06 O +ATOM 44 O BSER A 46 25.076 19.372 5.948 0.50 17.34 O +ATOM 45 CB ASER A 46 28.375 18.700 7.005 0.50 19.77 C +ATOM 46 CB BSER A 46 28.062 18.824 7.230 0.50 18.72 C +ATOM 47 OG ASER A 46 27.838 19.229 8.201 0.50 20.70 O +ATOM 48 OG BSER A 46 29.320 19.462 7.336 0.50 24.48 O +ATOM 49 N TYR A 47 25.823 17.270 5.660 1.00 18.46 N +ATOM 50 CA TYR A 47 24.475 16.734 5.692 1.00 16.87 C +ATOM 51 C TYR A 47 24.415 15.260 6.067 1.00 16.83 C +ATOM 52 O TYR A 47 25.424 14.564 6.031 1.00 17.56 O +ATOM 53 CB TYR A 47 23.791 16.948 4.341 1.00 19.13 C +ATOM 54 CG TYR A 47 24.418 16.139 3.256 1.00 21.43 C +ATOM 55 CD1 TYR A 47 25.497 16.637 2.543 1.00 18.71 C +ATOM 56 CD2 TYR A 47 23.936 14.877 2.937 1.00 20.25 C +ATOM 57 CE1 TYR A 47 26.097 15.900 1.555 1.00 24.58 C +ATOM 58 CE2 TYR A 47 24.535 14.122 1.944 1.00 26.07 C +ATOM 59 CZ TYR A 47 25.617 14.648 1.260 1.00 24.83 C +ATOM 60 OH TYR A 47 26.214 13.926 0.263 1.00 30.28 O +ATOM 61 N LYS A 48 23.210 14.816 6.423 1.00 17.09 N +ATOM 62 CA LYS A 48 22.918 13.417 6.670 1.00 16.23 C +ATOM 63 C LYS A 48 21.617 13.049 5.979 1.00 16.18 C +ATOM 64 O LYS A 48 20.601 13.673 6.206 1.00 19.56 O +ATOM 65 CB LYS A 48 22.805 13.136 8.170 1.00 16.94 C +ATOM 66 CG LYS A 48 22.543 11.687 8.525 1.00 20.50 C +ATOM 67 CD LYS A 48 22.481 11.541 10.035 1.00 22.62 C +ATOM 68 CE LYS A 48 22.219 10.105 10.427 1.00 23.99 C +ATOM 69 NZ LYS A 48 23.297 9.193 9.941 1.00 26.77 N +ATOM 70 N ALYS A 49 21.653 12.016 5.150 0.70 15.80 N +ATOM 71 N BLYS A 49 21.669 12.024 5.136 0.30 16.72 N +ATOM 72 CA ALYS A 49 20.454 11.548 4.479 0.70 18.42 C +ATOM 73 CA BLYS A 49 20.479 11.506 4.484 0.30 17.94 C +ATOM 74 C ALYS A 49 19.695 10.584 5.364 0.70 19.38 C +ATOM 75 C BLYS A 49 19.714 10.639 5.464 0.30 19.01 C +ATOM 76 O ALYS A 49 20.271 9.605 5.852 0.70 18.93 O +ATOM 77 O BLYS A 49 20.312 9.831 6.177 0.30 19.37 O +ATOM 78 CB ALYS A 49 20.808 10.841 3.174 0.70 18.49 C +ATOM 79 CB BLYS A 49 20.850 10.672 3.255 0.30 17.94 C +ATOM 80 CG ALYS A 49 19.608 10.501 2.311 0.70 19.27 C +ATOM 81 CG BLYS A 49 19.662 10.027 2.547 0.30 18.86 C +ATOM 82 CD ALYS A 49 20.071 9.935 0.970 0.70 22.07 C +ATOM 83 CD BLYS A 49 20.083 9.417 1.226 0.30 18.41 C +ATOM 84 CE ALYS A 49 18.890 9.574 0.078 0.70 23.75 C +ATOM 85 CE BLYS A 49 18.913 8.731 0.544 0.30 20.22 C +ATOM 86 NZ ALYS A 49 18.074 8.467 0.671 0.70 26.87 N +ATOM 87 NZ BLYS A 49 19.171 8.509 -0.902 0.30 20.43 N +ATOM 88 N ILE A 50 18.400 10.831 5.533 1.00 19.26 N +ATOM 89 CA ILE A 50 17.526 9.953 6.328 1.00 22.23 C +ATOM 90 C ILE A 50 16.247 9.744 5.533 1.00 20.15 C +ATOM 91 O ILE A 50 15.350 10.574 5.571 1.00 20.71 O +ATOM 92 CB ILE A 50 17.169 10.499 7.708 1.00 21.93 C +ATOM 93 CG1 ILE A 50 18.426 10.838 8.519 1.00 27.04 C +ATOM 94 CG2 ILE A 50 16.346 9.418 8.455 1.00 25.49 C +ATOM 95 CD1 ILE A 50 18.141 11.441 9.869 1.00 26.24 C +ATOM 96 N GLY A 51 16.191 8.640 4.801 1.00 21.29 N +ATOM 97 CA GLY A 51 15.052 8.347 3.962 1.00 22.14 C +ATOM 98 C GLY A 51 14.876 9.411 2.895 1.00 22.04 C +ATOM 99 O GLY A 51 15.823 9.718 2.176 1.00 22.56 O +ATOM 100 N ASN A 52 13.687 10.015 2.867 1.00 23.49 N +ATOM 101 CA ASN A 52 13.332 11.042 1.888 1.00 23.02 C +ATOM 102 C ASN A 52 13.752 12.455 2.315 1.00 22.14 C +ATOM 103 O ASN A 52 13.433 13.417 1.619 1.00 22.45 O +ATOM 104 CB ASN A 52 11.811 11.001 1.600 1.00 25.92 C +ATOM 105 CG ASN A 52 10.941 11.338 2.840 1.00 32.72 C +ATOM 106 OD1 ASN A 52 11.393 11.253 3.982 1.00 42.51 O +ATOM 107 ND2 ASN A 52 9.684 11.705 2.600 1.00 39.67 N +ATOM 108 N LYS A 53 14.463 12.566 3.440 1.00 19.48 N +ATOM 109 CA LYS A 53 14.902 13.838 3.966 1.00 19.68 C +ATOM 110 C LYS A 53 16.408 13.903 4.110 1.00 16.98 C +ATOM 111 O LYS A 53 17.103 12.881 4.122 1.00 17.82 O +ATOM 112 CB LYS A 53 14.263 14.063 5.336 1.00 20.76 C +ATOM 113 CG LYS A 53 12.763 14.221 5.241 1.00 25.68 C +ATOM 114 CD LYS A 53 12.129 14.523 6.573 1.00 27.87 C +ATOM 115 CE LYS A 53 10.626 14.333 6.495 1.00 35.31 C +ATOM 116 NZ LYS A 53 10.310 12.875 6.561 1.00 37.15 N +ATOM 117 N TYR A 54 16.893 15.129 4.225 1.00 16.74 N +ATOM 118 CA TYR A 54 18.272 15.405 4.524 1.00 16.09 C +ATOM 119 C TYR A 54 18.314 16.400 5.662 1.00 16.69 C +ATOM 120 O TYR A 54 17.581 17.368 5.661 1.00 16.98 O +ATOM 121 CB TYR A 54 18.998 16.018 3.342 1.00 18.15 C +ATOM 122 CG TYR A 54 19.057 15.178 2.101 1.00 19.02 C +ATOM 123 CD1 TYR A 54 20.120 14.330 1.882 1.00 19.13 C +ATOM 124 CD2 TYR A 54 18.077 15.280 1.108 1.00 19.60 C +ATOM 125 CE1 TYR A 54 20.194 13.574 0.719 1.00 17.84 C +ATOM 126 CE2 TYR A 54 18.151 14.538 -0.044 1.00 21.51 C +ATOM 127 CZ TYR A 54 19.207 13.692 -0.233 1.00 17.65 C +ATOM 128 OH TYR A 54 19.270 12.934 -1.384 1.00 20.42 O +ATOM 129 N ILE A 55 19.177 16.146 6.628 1.00 16.49 N +ATOM 130 CA ILE A 55 19.447 17.099 7.680 1.00 15.86 C +ATOM 131 C ILE A 55 20.670 17.847 7.193 1.00 16.35 C +ATOM 132 O ILE A 55 21.727 17.234 7.007 1.00 17.96 O +ATOM 133 CB ILE A 55 19.729 16.420 9.043 1.00 17.28 C +ATOM 134 CG1 ILE A 55 18.589 15.463 9.409 1.00 21.88 C +ATOM 135 CG2 ILE A 55 19.953 17.441 10.113 1.00 20.00 C +ATOM 136 CD1 ILE A 55 17.197 15.970 9.174 1.00 26.59 C +ATOM 137 N VAL A 56 20.525 19.155 6.997 1.00 17.05 N +ATOM 138 CA VAL A 56 21.598 19.975 6.455 1.00 16.23 C +ATOM 139 C VAL A 56 22.087 20.945 7.509 1.00 16.33 C +ATOM 140 O VAL A 56 21.292 21.686 8.082 1.00 20.65 O +ATOM 141 CB VAL A 56 21.139 20.726 5.215 1.00 17.58 C +ATOM 142 CG1 VAL A 56 22.270 21.558 4.620 1.00 21.21 C +ATOM 143 CG2 VAL A 56 20.580 19.727 4.208 1.00 18.96 C +ATOM 144 N SER A 57 23.392 20.890 7.776 1.00 16.01 N +ATOM 145 CA SER A 57 24.069 21.788 8.683 1.00 16.63 C +ATOM 146 C SER A 57 24.929 22.726 7.864 1.00 17.46 C +ATOM 147 O SER A 57 25.945 22.326 7.315 1.00 17.12 O +ATOM 148 CB SER A 57 24.882 20.998 9.694 1.00 17.11 C +ATOM 149 OG SER A 57 25.491 21.875 10.601 1.00 18.02 O +ATOM 150 N ILE A 58 24.502 23.974 7.760 1.00 16.82 N +ATOM 151 CA ILE A 58 25.206 24.933 6.926 1.00 18.13 C +ATOM 152 C ILE A 58 26.442 25.413 7.686 1.00 17.09 C +ATOM 153 O ILE A 58 26.431 25.508 8.925 1.00 17.09 O +ATOM 154 CB ILE A 58 24.249 26.091 6.520 1.00 18.29 C +ATOM 155 CG1 ILE A 58 23.070 25.528 5.693 1.00 20.28 C +ATOM 156 CG2 ILE A 58 25.012 27.152 5.751 1.00 16.47 C +ATOM 157 CD1 ILE A 58 22.145 26.525 5.117 1.00 23.06 C +ATOM 158 N ASN A 59 27.540 25.651 6.951 1.00 16.70 N +ATOM 159 CA ASN A 59 28.777 26.128 7.548 1.00 18.64 C +ATOM 160 C ASN A 59 28.579 27.517 8.116 1.00 16.54 C +ATOM 161 O ASN A 59 27.811 28.317 7.581 1.00 16.23 O +ATOM 162 CB ASN A 59 29.926 26.184 6.518 1.00 18.53 C +ATOM 163 CG ASN A 59 30.374 24.820 6.044 1.00 23.38 C +ATOM 164 OD1 ASN A 59 29.910 23.799 6.521 1.00 22.75 O +ATOM 165 ND2 ASN A 59 31.265 24.810 5.049 1.00 23.92 N +ATOM 166 N ASN A 60 29.302 27.840 9.171 1.00 15.84 N +ATOM 167 CA ASN A 60 29.205 29.155 9.743 1.00 16.08 C +ATOM 168 C ASN A 60 29.717 30.191 8.738 1.00 16.65 C +ATOM 169 O ASN A 60 30.517 29.882 7.831 1.00 18.07 O +ATOM 170 CB ASN A 60 30.026 29.229 11.020 1.00 17.22 C +ATOM 171 CG ASN A 60 29.593 30.350 11.938 1.00 18.18 C +ATOM 172 OD1 ASN A 60 28.587 31.017 11.693 1.00 18.97 O +ATOM 173 ND2 ASN A 60 30.366 30.576 13.007 1.00 17.44 N +ATOM 174 N HIS A 61 29.242 31.421 8.881 1.00 17.09 N +ATOM 175 CA HIS A 61 29.664 32.546 8.043 1.00 17.18 C +ATOM 176 C HIS A 61 29.355 32.363 6.565 1.00 18.35 C +ATOM 177 O HIS A 61 30.011 32.958 5.706 1.00 22.68 O +ATOM 178 CB HIS A 61 31.167 32.826 8.218 1.00 19.36 C +ATOM 179 CG HIS A 61 31.593 32.896 9.640 1.00 20.99 C +ATOM 180 ND1 HIS A 61 31.030 33.776 10.534 1.00 24.01 N +ATOM 181 CD2 HIS A 61 32.530 32.205 10.324 1.00 27.66 C +ATOM 182 CE1 HIS A 61 31.610 33.633 11.710 1.00 27.45 C +ATOM 183 NE2 HIS A 61 32.511 32.672 11.613 1.00 25.80 N +ATOM 184 N THR A 62 28.344 31.559 6.270 1.00 16.79 N +ATOM 185 CA THR A 62 27.961 31.228 4.919 1.00 16.51 C +ATOM 186 C THR A 62 26.578 31.783 4.647 1.00 16.22 C +ATOM 187 O THR A 62 25.744 31.810 5.558 1.00 15.50 O +ATOM 188 CB THR A 62 27.964 29.707 4.790 1.00 18.11 C +ATOM 189 OG1 THR A 62 29.286 29.234 5.114 1.00 19.12 O +ATOM 190 CG2 THR A 62 27.611 29.242 3.404 1.00 18.03 C +ATOM 191 N GLU A 63 26.339 32.234 3.417 1.00 15.75 N +ATOM 192 CA GLU A 63 25.045 32.754 3.019 1.00 15.98 C +ATOM 193 C GLU A 63 24.122 31.546 2.804 1.00 16.48 C +ATOM 194 O GLU A 63 24.369 30.693 1.939 1.00 15.80 O +ATOM 195 CB GLU A 63 25.159 33.675 1.795 1.00 16.04 C +ATOM 196 CG GLU A 63 23.964 34.609 1.673 1.00 18.27 C +ATOM 197 CD GLU A 63 22.763 33.916 1.130 1.00 16.48 C +ATOM 198 OE1 GLU A 63 22.834 33.483 -0.037 1.00 18.32 O +ATOM 199 OE2 GLU A 63 21.792 33.780 1.874 1.00 17.67 O +ATOM 200 N AILE A 64 23.059 31.513 3.596 0.70 15.01 N +ATOM 201 N BILE A 64 23.077 31.449 3.627 0.30 14.59 N +ATOM 202 CA AILE A 64 22.195 30.323 3.716 0.70 17.55 C +ATOM 203 CA BILE A 64 22.246 30.222 3.657 0.30 14.58 C +ATOM 204 C AILE A 64 21.406 29.975 2.452 0.70 16.34 C +ATOM 205 C BILE A 64 21.412 29.950 2.413 0.30 14.89 C +ATOM 206 O AILE A 64 21.218 28.794 2.121 0.70 16.76 O +ATOM 207 O BILE A 64 21.180 28.785 2.074 0.30 15.19 O +ATOM 208 CB AILE A 64 21.257 30.506 4.924 0.70 17.25 C +ATOM 209 CB BILE A 64 21.308 30.150 4.898 0.30 13.33 C +ATOM 210 CG1AILE A 64 22.075 30.487 6.218 0.70 16.75 C +ATOM 211 CG1BILE A 64 20.237 31.261 4.907 0.30 11.14 C +ATOM 212 CG2AILE A 64 20.157 29.432 4.974 0.70 22.67 C +ATOM 213 CG2BILE A 64 22.126 30.181 6.165 0.30 11.07 C +ATOM 214 CD1AILE A 64 21.304 30.947 7.455 0.70 18.75 C +ATOM 215 CD1BILE A 64 19.302 31.207 6.104 0.30 14.79 C +ATOM 216 N VAL A 65 20.937 30.998 1.743 1.00 15.54 N +ATOM 217 CA VAL A 65 20.118 30.779 0.557 1.00 15.42 C +ATOM 218 C VAL A 65 20.966 30.183 -0.565 1.00 15.67 C +ATOM 219 O VAL A 65 20.578 29.185 -1.169 1.00 17.64 O +ATOM 220 CB VAL A 65 19.374 32.065 0.131 1.00 16.32 C +ATOM 221 CG1 VAL A 65 18.611 31.814 -1.168 1.00 16.47 C +ATOM 222 CG2 VAL A 65 18.455 32.549 1.245 1.00 17.03 C +ATOM 223 N LYS A 66 22.158 30.744 -0.774 1.00 15.10 N +ATOM 224 CA LYS A 66 23.129 30.213 -1.718 1.00 17.66 C +ATOM 225 C LYS A 66 23.456 28.752 -1.377 1.00 15.01 C +ATOM 226 O LYS A 66 23.503 27.897 -2.254 1.00 17.56 O +ATOM 227 CB LYS A 66 24.409 31.049 -1.667 1.00 18.42 C +ATOM 228 CG LYS A 66 25.508 30.681 -2.687 1.00 22.46 C +ATOM 229 CD LYS A 66 26.773 31.479 -2.436 1.00 25.47 C +ATOM 230 CE LYS A 66 27.943 30.958 -3.281 1.00 30.53 C +ATOM 231 NZ LYS A 66 29.226 31.686 -2.981 1.00 35.55 N +ATOM 232 N ALA A 67 23.697 28.483 -0.101 1.00 15.34 N +ATOM 233 CA ALA A 67 24.033 27.139 0.336 1.00 14.05 C +ATOM 234 C ALA A 67 22.894 26.159 0.097 1.00 16.55 C +ATOM 235 O ALA A 67 23.103 25.047 -0.387 1.00 15.77 O +ATOM 236 CB ALA A 67 24.460 27.127 1.807 1.00 16.88 C +ATOM 237 N LEU A 68 21.684 26.555 0.448 1.00 15.88 N +ATOM 238 CA LEU A 68 20.533 25.663 0.223 1.00 15.76 C +ATOM 239 C LEU A 68 20.307 25.401 -1.247 1.00 16.09 C +ATOM 240 O LEU A 68 19.975 24.267 -1.631 1.00 16.92 O +ATOM 241 CB LEU A 68 19.273 26.203 0.888 1.00 15.37 C +ATOM 242 CG LEU A 68 19.283 26.184 2.414 1.00 17.05 C +ATOM 243 CD1 LEU A 68 18.178 27.071 2.983 1.00 18.57 C +ATOM 244 CD2 LEU A 68 19.147 24.762 3.008 1.00 17.65 C +ATOM 245 N AASN A 69 20.465 26.427 -2.080 0.50 16.84 N +ATOM 246 N BASN A 69 20.507 26.414 -2.075 0.50 17.26 N +ATOM 247 CA AASN A 69 20.359 26.246 -3.530 0.50 16.88 C +ATOM 248 CA BASN A 69 20.333 26.252 -3.508 0.50 17.92 C +ATOM 249 C AASN A 69 21.366 25.212 -3.994 0.50 15.54 C +ATOM 250 C BASN A 69 21.387 25.290 -4.073 0.50 17.20 C +ATOM 251 O AASN A 69 21.011 24.241 -4.669 0.50 13.86 O +ATOM 252 O BASN A 69 21.090 24.473 -4.944 0.50 19.34 O +ATOM 253 CB AASN A 69 20.582 27.569 -4.288 0.50 18.02 C +ATOM 254 CB BASN A 69 20.376 27.625 -4.192 0.50 18.41 C +ATOM 255 CG AASN A 69 19.325 28.409 -4.389 0.50 18.57 C +ATOM 256 CG BASN A 69 19.882 27.580 -5.613 0.50 20.46 C +ATOM 257 OD1AASN A 69 18.428 28.110 -5.174 0.50 22.97 O +ATOM 258 OD1BASN A 69 18.781 28.042 -5.913 0.50 25.21 O +ATOM 259 ND2AASN A 69 19.267 29.477 -3.618 0.50 21.60 N +ATOM 260 ND2BASN A 69 20.676 27.001 -6.496 0.50 23.45 N +ATOM 261 N ALA A 70 22.611 25.395 -3.566 1.00 15.36 N +ATOM 262 CA ALA A 70 23.712 24.508 -3.950 1.00 15.35 C +ATOM 263 C ALA A 70 23.462 23.061 -3.500 1.00 17.53 C +ATOM 264 O ALA A 70 23.746 22.111 -4.250 1.00 17.04 O +ATOM 265 CB ALA A 70 25.016 25.028 -3.368 1.00 17.41 C +ATOM 266 N PHE A 71 22.910 22.902 -2.297 1.00 15.37 N +ATOM 267 CA PHE A 71 22.563 21.593 -1.799 1.00 14.74 C +ATOM 268 C PHE A 71 21.537 20.887 -2.680 1.00 14.01 C +ATOM 269 O PHE A 71 21.714 19.748 -3.055 1.00 16.39 O +ATOM 270 CB PHE A 71 22.006 21.692 -0.383 1.00 16.84 C +ATOM 271 CG PHE A 71 21.654 20.371 0.160 1.00 16.97 C +ATOM 272 CD1 PHE A 71 22.645 19.548 0.607 1.00 18.35 C +ATOM 273 CD2 PHE A 71 20.345 19.908 0.138 1.00 15.92 C +ATOM 274 CE1 PHE A 71 22.357 18.283 1.053 1.00 19.39 C +ATOM 275 CE2 PHE A 71 20.059 18.649 0.557 1.00 17.40 C +ATOM 276 CZ PHE A 71 21.061 17.842 1.037 1.00 16.50 C +ATOM 277 N CYS A 72 20.449 21.581 -2.976 1.00 15.03 N +ATOM 278 CA CYS A 72 19.390 21.028 -3.797 1.00 16.30 C +ATOM 279 C CYS A 72 19.899 20.693 -5.189 1.00 16.11 C +ATOM 280 O CYS A 72 19.514 19.677 -5.770 1.00 16.78 O +ATOM 281 CB CYS A 72 18.209 21.993 -3.895 1.00 17.27 C +ATOM 282 SG CYS A 72 17.348 22.253 -2.340 1.00 19.27 S +ATOM 283 N LYS A 73 20.748 21.560 -5.724 1.00 18.26 N +ATOM 284 CA LYS A 73 21.346 21.306 -7.026 1.00 19.53 C +ATOM 285 C LYS A 73 22.215 20.046 -6.962 1.00 20.80 C +ATOM 286 O LYS A 73 22.095 19.154 -7.810 1.00 21.26 O +ATOM 287 CB LYS A 73 22.167 22.510 -7.481 1.00 19.96 C +ATOM 288 CG LYS A 73 22.820 22.314 -8.848 1.00 23.25 C +ATOM 289 CD LYS A 73 23.472 23.577 -9.376 1.00 24.35 C +ATOM 290 CE LYS A 73 24.269 23.268 -10.653 1.00 31.78 C +ATOM 291 NZ LYS A 73 24.857 24.504 -11.241 1.00 38.09 N +ATOM 292 N GLU A 74 23.085 19.962 -5.955 1.00 19.88 N +ATOM 293 CA GLU A 74 23.964 18.799 -5.791 1.00 18.54 C +ATOM 294 C GLU A 74 23.170 17.493 -5.721 1.00 19.43 C +ATOM 295 O GLU A 74 23.573 16.479 -6.313 1.00 20.52 O +ATOM 296 CB GLU A 74 24.816 18.919 -4.516 1.00 19.33 C +ATOM 297 CG GLU A 74 25.725 17.700 -4.291 1.00 20.25 C +ATOM 298 CD GLU A 74 26.488 17.659 -2.951 1.00 25.87 C +ATOM 299 OE1 GLU A 74 26.414 18.607 -2.140 1.00 34.74 O +ATOM 300 OE2 GLU A 74 27.196 16.637 -2.733 1.00 35.66 O +ATOM 301 N LYS A 75 22.060 17.514 -4.994 1.00 18.33 N +ATOM 302 CA LYS A 75 21.249 16.319 -4.778 1.00 16.82 C +ATOM 303 C LYS A 75 20.158 16.124 -5.823 1.00 18.43 C +ATOM 304 O LYS A 75 19.435 15.131 -5.765 1.00 20.90 O +ATOM 305 CB LYS A 75 20.668 16.309 -3.361 1.00 16.73 C +ATOM 306 CG LYS A 75 21.731 16.281 -2.261 1.00 19.09 C +ATOM 307 CD LYS A 75 22.582 15.011 -2.362 1.00 23.55 C +ATOM 308 CE LYS A 75 23.585 14.866 -1.279 1.00 24.41 C +ATOM 309 NZ LYS A 75 24.377 13.604 -1.491 1.00 25.17 N +ATOM 310 N GLY A 76 20.091 17.006 -6.814 1.00 17.44 N +ATOM 311 CA GLY A 76 19.120 16.884 -7.897 1.00 18.94 C +ATOM 312 C GLY A 76 17.684 16.936 -7.422 1.00 20.05 C +ATOM 313 O GLY A 76 16.829 16.252 -7.978 1.00 20.22 O +ATOM 314 N ILE A 77 17.409 17.758 -6.406 1.00 17.31 N +ATOM 315 CA ILE A 77 16.076 17.799 -5.819 1.00 17.56 C +ATOM 316 C ILE A 77 15.185 18.642 -6.725 1.00 18.93 C +ATOM 317 O ILE A 77 15.463 19.804 -6.975 1.00 19.72 O +ATOM 318 CB ILE A 77 16.087 18.358 -4.412 1.00 16.60 C +ATOM 319 CG1 ILE A 77 16.928 17.455 -3.510 1.00 17.95 C +ATOM 320 CG2 ILE A 77 14.675 18.429 -3.896 1.00 18.12 C +ATOM 321 CD1 ILE A 77 17.089 17.944 -2.091 1.00 18.96 C +ATOM 322 N LEU A 78 14.130 18.020 -7.226 1.00 19.66 N +ATOM 323 CA LEU A 78 13.230 18.666 -8.177 1.00 18.22 C +ATOM 324 C LEU A 78 12.146 19.480 -7.490 1.00 16.61 C +ATOM 325 O LEU A 78 11.713 20.508 -8.012 1.00 16.88 O +ATOM 326 CB LEU A 78 12.594 17.587 -9.059 1.00 18.76 C +ATOM 327 CG LEU A 78 13.551 16.673 -9.826 1.00 18.90 C +ATOM 328 CD1 LEU A 78 12.762 15.614 -10.556 1.00 19.50 C +ATOM 329 CD2 LEU A 78 14.381 17.519 -10.775 1.00 20.90 C +ATOM 330 N SER A 79 11.675 18.967 -6.355 1.00 16.89 N +ATOM 331 CA SER A 79 10.702 19.648 -5.525 1.00 18.11 C +ATOM 332 C SER A 79 10.813 19.097 -4.120 1.00 18.45 C +ATOM 333 O SER A 79 11.403 18.024 -3.898 1.00 16.56 O +ATOM 334 CB SER A 79 9.274 19.504 -6.061 1.00 16.20 C +ATOM 335 OG SER A 79 8.802 18.180 -5.913 1.00 18.59 O +ATOM 336 N GLY A 80 10.272 19.855 -3.169 1.00 17.31 N +ATOM 337 CA GLY A 80 10.426 19.489 -1.779 1.00 16.63 C +ATOM 338 C GLY A 80 10.148 20.640 -0.859 1.00 16.01 C +ATOM 339 O GLY A 80 9.610 21.654 -1.263 1.00 15.19 O +ATOM 340 N SER A 81 10.568 20.491 0.388 1.00 15.07 N +ATOM 341 CA SER A 81 10.360 21.512 1.397 1.00 16.47 C +ATOM 342 C SER A 81 11.623 21.727 2.176 1.00 18.00 C +ATOM 343 O SER A 81 12.495 20.863 2.216 1.00 16.77 O +ATOM 344 CB SER A 81 9.251 21.085 2.338 1.00 19.18 C +ATOM 345 OG SER A 81 9.672 19.963 3.076 1.00 24.65 O +ATOM 346 N ILE A 82 11.731 22.910 2.780 1.00 16.48 N +ATOM 347 CA ILE A 82 12.870 23.255 3.611 1.00 15.34 C +ATOM 348 C ILE A 82 12.317 23.931 4.847 1.00 17.15 C +ATOM 349 O ILE A 82 11.450 24.785 4.738 1.00 16.94 O +ATOM 350 CB ILE A 82 13.850 24.223 2.886 1.00 16.35 C +ATOM 351 CG1 ILE A 82 14.379 23.635 1.579 1.00 16.98 C +ATOM 352 CG2 ILE A 82 15.013 24.630 3.844 1.00 17.23 C +ATOM 353 CD1 ILE A 82 15.318 24.548 0.769 1.00 16.73 C +ATOM 354 N ASN A 83 12.828 23.545 6.006 1.00 16.81 N +ATOM 355 CA ASN A 83 12.414 24.085 7.284 1.00 17.31 C +ATOM 356 C ASN A 83 13.596 24.050 8.215 1.00 17.58 C +ATOM 357 O ASN A 83 14.332 23.085 8.232 1.00 21.12 O +ATOM 358 CB ASN A 83 11.332 23.227 7.877 1.00 20.86 C +ATOM 359 CG ASN A 83 10.059 23.314 7.114 1.00 27.21 C +ATOM 360 OD1 ASN A 83 9.319 24.300 7.257 1.00 28.39 O +ATOM 361 ND2 ASN A 83 9.768 22.295 6.278 1.00 27.73 N +ATOM 362 N GLY A 84 13.791 25.092 9.005 1.00 17.09 N +ATOM 363 CA GLY A 84 14.794 25.034 10.031 1.00 17.23 C +ATOM 364 C GLY A 84 15.006 26.264 10.864 1.00 17.43 C +ATOM 365 O GLY A 84 14.173 27.185 10.864 1.00 16.11 O +ATOM 366 N ILE A 85 16.116 26.241 11.602 1.00 15.94 N +ATOM 367 CA ILE A 85 16.442 27.239 12.613 1.00 16.31 C +ATOM 368 C ILE A 85 17.943 27.471 12.606 1.00 15.97 C +ATOM 369 O ILE A 85 18.727 26.694 12.023 1.00 17.03 O +ATOM 370 CB ILE A 85 15.938 26.798 14.036 1.00 14.33 C +ATOM 371 CG1 ILE A 85 16.548 25.449 14.469 1.00 15.13 C +ATOM 372 CG2 ILE A 85 14.425 26.729 14.083 1.00 15.94 C +ATOM 373 CD1 ILE A 85 16.318 25.109 15.948 1.00 17.42 C +ATOM 374 N GLY A 86 18.375 28.537 13.278 1.00 14.98 N +ATOM 375 CA GLY A 86 19.770 28.880 13.324 1.00 17.29 C +ATOM 376 C GLY A 86 19.909 30.327 13.769 1.00 15.98 C +ATOM 377 O GLY A 86 18.954 30.914 14.274 1.00 17.95 O +ATOM 378 N ALA A 87 21.111 30.859 13.619 1.00 15.32 N +ATOM 379 CA ALA A 87 21.428 32.235 13.980 1.00 15.47 C +ATOM 380 C ALA A 87 22.243 32.860 12.870 1.00 15.22 C +ATOM 381 O ALA A 87 22.997 32.177 12.145 1.00 15.75 O +ATOM 382 CB ALA A 87 22.164 32.294 15.312 1.00 17.92 C +ATOM 383 N ILE A 88 22.032 34.166 12.707 1.00 14.90 N +ATOM 384 CA ILE A 88 22.566 34.929 11.589 1.00 14.26 C +ATOM 385 C ILE A 88 23.057 36.299 12.038 1.00 14.65 C +ATOM 386 O ILE A 88 22.672 36.810 13.080 1.00 15.88 O +ATOM 387 CB ILE A 88 21.528 35.118 10.465 1.00 14.70 C +ATOM 388 CG1 ILE A 88 20.300 35.874 10.965 1.00 15.15 C +ATOM 389 CG2 ILE A 88 21.112 33.768 9.880 1.00 15.49 C +ATOM 390 CD1 ILE A 88 19.276 36.175 9.910 1.00 14.67 C +ATOM 391 N GLY A 89 23.951 36.857 11.234 1.00 13.72 N +ATOM 392 CA GLY A 89 24.496 38.203 11.428 1.00 15.55 C +ATOM 393 C GLY A 89 24.120 39.228 10.386 1.00 14.70 C +ATOM 394 O GLY A 89 24.479 40.417 10.516 1.00 16.70 O +ATOM 395 N AGLU A 90 23.375 38.789 9.370 0.70 16.88 N +ATOM 396 N BGLU A 90 23.430 38.778 9.334 0.30 15.15 N +ATOM 397 CA AGLU A 90 22.900 39.670 8.312 0.70 17.31 C +ATOM 398 CA BGLU A 90 22.925 39.644 8.271 0.30 14.80 C +ATOM 399 C AGLU A 90 21.694 38.999 7.669 0.70 15.81 C +ATOM 400 C BGLU A 90 21.665 38.982 7.714 0.30 14.40 C +ATOM 401 O AGLU A 90 21.671 37.782 7.520 0.70 15.99 O +ATOM 402 O BGLU A 90 21.576 37.753 7.674 0.30 14.55 O +ATOM 403 CB AGLU A 90 24.004 39.953 7.291 0.70 17.65 C +ATOM 404 CB BGLU A 90 23.969 39.851 7.165 0.30 14.76 C +ATOM 405 CG AGLU A 90 23.669 41.079 6.329 0.70 17.19 C +ATOM 406 CG BGLU A 90 23.568 40.875 6.096 0.30 13.89 C +ATOM 407 CD AGLU A 90 24.897 41.684 5.678 0.70 19.58 C +ATOM 408 CD BGLU A 90 24.501 40.876 4.900 0.30 14.45 C +ATOM 409 OE1AGLU A 90 25.893 41.958 6.400 0.70 26.63 O +ATOM 410 OE1BGLU A 90 25.595 41.491 4.976 0.30 17.53 O +ATOM 411 OE2AGLU A 90 24.858 41.902 4.445 0.70 27.20 O +ATOM 412 OE2BGLU A 90 24.128 40.281 3.867 0.30 15.14 O +ATOM 413 N LEU A 91 20.689 39.796 7.315 1.00 13.74 N +ATOM 414 CA LEU A 91 19.454 39.310 6.719 1.00 13.89 C +ATOM 415 C LEU A 91 18.968 40.267 5.677 1.00 15.62 C +ATOM 416 O LEU A 91 18.971 41.465 5.929 1.00 15.67 O +ATOM 417 CB LEU A 91 18.368 39.266 7.793 1.00 15.07 C +ATOM 418 CG LEU A 91 16.961 38.841 7.378 1.00 14.74 C +ATOM 419 CD1 LEU A 91 16.920 37.385 6.884 1.00 15.65 C +ATOM 420 CD2 LEU A 91 15.974 39.069 8.505 1.00 15.59 C +ATOM 421 N THR A 92 18.522 39.747 4.540 1.00 13.57 N +ATOM 422 CA THR A 92 17.866 40.584 3.547 1.00 12.67 C +ATOM 423 C THR A 92 16.484 39.996 3.276 1.00 13.89 C +ATOM 424 O THR A 92 16.360 38.828 2.885 1.00 14.88 O +ATOM 425 CB THR A 92 18.635 40.705 2.244 1.00 13.80 C +ATOM 426 OG1 THR A 92 19.959 41.166 2.534 1.00 15.75 O +ATOM 427 CG2 THR A 92 17.942 41.715 1.306 1.00 13.90 C +ATOM 428 N LEU A 93 15.464 40.839 3.455 1.00 15.47 N +ATOM 429 CA LEU A 93 14.071 40.525 3.151 1.00 14.90 C +ATOM 430 C LEU A 93 13.582 41.377 2.019 1.00 15.85 C +ATOM 431 O LEU A 93 14.086 42.481 1.823 1.00 15.77 O +ATOM 432 CB LEU A 93 13.188 40.769 4.371 1.00 14.90 C +ATOM 433 CG LEU A 93 13.556 40.041 5.661 1.00 14.87 C +ATOM 434 CD1 LEU A 93 12.661 40.512 6.819 1.00 14.47 C +ATOM 435 CD2 LEU A 93 13.529 38.499 5.474 1.00 16.12 C +ATOM 436 N ARG A 94 12.609 40.875 1.264 1.00 13.95 N +ATOM 437 CA ARG A 94 11.953 41.633 0.203 1.00 14.90 C +ATOM 438 C ARG A 94 10.493 41.841 0.523 1.00 14.58 C +ATOM 439 O ARG A 94 9.796 40.883 0.873 1.00 15.79 O +ATOM 440 CB ARG A 94 12.046 40.908 -1.127 1.00 15.10 C +ATOM 441 CG ARG A 94 11.334 41.634 -2.259 1.00 15.41 C +ATOM 442 CD ARG A 94 11.703 41.131 -3.607 1.00 15.53 C +ATOM 443 NE ARG A 94 13.074 41.469 -3.942 1.00 14.99 N +ATOM 444 CZ ARG A 94 13.731 41.071 -5.034 1.00 17.75 C +ATOM 445 NH1 ARG A 94 13.193 40.230 -5.880 1.00 21.06 N +ATOM 446 NH2 ARG A 94 14.961 41.468 -5.243 1.00 18.64 N +ATOM 447 N PHE A 95 10.021 43.071 0.329 1.00 14.92 N +ATOM 448 CA PHE A 95 8.587 43.374 0.397 1.00 15.37 C +ATOM 449 C PHE A 95 8.143 43.870 -0.977 1.00 14.31 C +ATOM 450 O PHE A 95 8.615 44.857 -1.478 1.00 16.17 O +ATOM 451 CB PHE A 95 8.237 44.383 1.483 1.00 15.44 C +ATOM 452 CG PHE A 95 6.777 44.414 1.804 1.00 14.75 C +ATOM 453 CD1 PHE A 95 6.255 43.511 2.702 1.00 18.27 C +ATOM 454 CD2 PHE A 95 5.929 45.339 1.206 1.00 18.27 C +ATOM 455 CE1 PHE A 95 4.889 43.517 3.006 1.00 19.01 C +ATOM 456 CE2 PHE A 95 4.573 45.312 1.509 1.00 20.63 C +ATOM 457 CZ PHE A 95 4.088 44.407 2.395 1.00 20.01 C +ATOM 458 N PHE A 96 7.216 43.126 -1.572 1.00 15.76 N +ATOM 459 CA PHE A 96 6.664 43.425 -2.889 1.00 15.80 C +ATOM 460 C PHE A 96 5.314 44.115 -2.771 1.00 19.49 C +ATOM 461 O PHE A 96 4.455 43.642 -2.046 1.00 18.80 O +ATOM 462 CB PHE A 96 6.553 42.125 -3.646 1.00 16.62 C +ATOM 463 CG PHE A 96 5.906 42.238 -4.970 1.00 19.09 C +ATOM 464 CD1 PHE A 96 6.541 42.847 -6.008 1.00 20.36 C +ATOM 465 CD2 PHE A 96 4.641 41.716 -5.172 1.00 19.97 C +ATOM 466 CE1 PHE A 96 5.927 42.941 -7.274 1.00 21.32 C +ATOM 467 CE2 PHE A 96 4.038 41.785 -6.421 1.00 20.42 C +ATOM 468 CZ PHE A 96 4.693 42.394 -7.470 1.00 19.37 C +ATOM 469 N ASN A 97 5.155 45.241 -3.477 1.00 17.08 N +ATOM 470 CA ASN A 97 3.910 45.977 -3.488 1.00 18.45 C +ATOM 471 C ASN A 97 3.156 45.571 -4.734 1.00 19.03 C +ATOM 472 O ASN A 97 3.537 45.970 -5.835 1.00 18.91 O +ATOM 473 CB ASN A 97 4.221 47.466 -3.505 1.00 18.70 C +ATOM 474 CG ASN A 97 2.984 48.326 -3.427 1.00 24.30 C +ATOM 475 OD1 ASN A 97 1.917 47.966 -3.948 1.00 24.81 O +ATOM 476 ND2 ASN A 97 3.124 49.492 -2.800 1.00 25.61 N +ATOM 477 N PRO A 98 2.080 44.788 -4.591 1.00 17.60 N +ATOM 478 CA PRO A 98 1.330 44.331 -5.770 1.00 19.66 C +ATOM 479 C PRO A 98 0.625 45.414 -6.533 1.00 21.49 C +ATOM 480 O PRO A 98 0.340 45.209 -7.699 1.00 25.14 O +ATOM 481 CB PRO A 98 0.277 43.381 -5.191 1.00 21.35 C +ATOM 482 CG PRO A 98 0.196 43.708 -3.735 1.00 21.76 C +ATOM 483 CD PRO A 98 1.504 44.286 -3.331 1.00 20.73 C +ATOM 484 N LYS A 99 0.313 46.521 -5.888 1.00 20.61 N +ATOM 485 CA LYS A 99 -0.416 47.595 -6.539 1.00 24.02 C +ATOM 486 C LYS A 99 0.483 48.357 -7.502 1.00 24.15 C +ATOM 487 O LYS A 99 0.126 48.541 -8.662 1.00 26.26 O +ATOM 488 CB LYS A 99 -1.003 48.524 -5.489 1.00 24.60 C +ATOM 489 CG LYS A 99 -1.938 49.592 -6.053 1.00 34.86 C +ATOM 490 N THR A 100 1.670 48.739 -7.054 1.00 21.15 N +ATOM 491 CA THR A 100 2.568 49.541 -7.903 1.00 19.46 C +ATOM 492 C THR A 100 3.698 48.753 -8.574 1.00 17.93 C +ATOM 493 O THR A 100 4.407 49.289 -9.430 1.00 18.89 O +ATOM 494 CB THR A 100 3.255 50.613 -7.053 1.00 19.22 C +ATOM 495 OG1 THR A 100 4.044 49.989 -6.050 1.00 19.16 O +ATOM 496 CG2 THR A 100 2.196 51.543 -6.395 1.00 23.69 C +ATOM 497 N ALYS A 101 3.848 47.498 -8.174 0.50 19.22 N +ATOM 498 N BLYS A 101 3.862 47.495 -8.167 0.50 18.60 N +ATOM 499 CA ALYS A 101 4.936 46.653 -8.616 0.50 19.92 C +ATOM 500 CA BLYS A 101 4.967 46.625 -8.583 0.50 18.81 C +ATOM 501 C ALYS A 101 6.303 47.180 -8.182 0.50 17.47 C +ATOM 502 C BLYS A 101 6.324 47.065 -8.045 0.50 15.80 C +ATOM 503 O ALYS A 101 7.290 46.789 -8.763 0.50 16.66 O +ATOM 504 O BLYS A 101 7.340 46.451 -8.344 0.50 11.73 O +ATOM 505 CB ALYS A 101 4.905 46.435 -10.146 0.50 21.39 C +ATOM 506 CB BLYS A 101 5.031 46.451 -10.114 0.50 20.35 C +ATOM 507 CG ALYS A 101 3.517 46.113 -10.715 0.50 24.70 C +ATOM 508 CG BLYS A 101 3.711 46.016 -10.741 0.50 24.62 C +ATOM 509 CD ALYS A 101 2.880 44.894 -10.045 0.50 23.37 C +ATOM 510 CD BLYS A 101 3.267 44.624 -10.276 0.50 24.43 C +ATOM 511 CE ALYS A 101 1.540 44.531 -10.689 0.50 26.65 C +ATOM 512 CE BLYS A 101 1.895 44.257 -10.808 0.50 27.82 C +ATOM 513 NZ ALYS A 101 0.548 45.635 -10.660 0.50 28.31 N +ATOM 514 NZ BLYS A 101 1.807 44.401 -12.277 0.50 27.79 N +ATOM 515 N ALA A 102 6.351 48.094 -7.206 1.00 16.10 N +ATOM 516 CA ALA A 102 7.586 48.440 -6.518 1.00 14.38 C +ATOM 517 C ALA A 102 7.942 47.293 -5.581 1.00 15.59 C +ATOM 518 O ALA A 102 7.066 46.528 -5.153 1.00 16.21 O +ATOM 519 CB ALA A 102 7.423 49.724 -5.717 1.00 15.48 C +ATOM 520 N TYR A 103 9.222 47.152 -5.278 1.00 14.37 N +ATOM 521 CA TYR A 103 9.654 46.200 -4.285 1.00 14.66 C +ATOM 522 C TYR A 103 10.801 46.797 -3.525 1.00 14.87 C +ATOM 523 O TYR A 103 11.534 47.621 -4.051 1.00 15.55 O +ATOM 524 CB TYR A 103 10.053 44.864 -4.903 1.00 14.07 C +ATOM 525 CG TYR A 103 11.191 44.897 -5.860 1.00 14.55 C +ATOM 526 CD1 TYR A 103 10.985 45.214 -7.189 1.00 14.92 C +ATOM 527 CD2 TYR A 103 12.492 44.676 -5.443 1.00 14.91 C +ATOM 528 CE1 TYR A 103 12.055 45.264 -8.101 1.00 15.05 C +ATOM 529 CE2 TYR A 103 13.555 44.713 -6.339 1.00 14.80 C +ATOM 530 CZ TYR A 103 13.325 45.004 -7.663 1.00 15.71 C +ATOM 531 OH TYR A 103 14.377 45.046 -8.567 1.00 18.49 O +ATOM 532 N ASP A 104 10.959 46.410 -2.272 1.00 14.23 N +ATOM 533 CA ASP A 104 12.113 46.861 -1.540 1.00 14.91 C +ATOM 534 C ASP A 104 12.772 45.725 -0.832 1.00 14.05 C +ATOM 535 O ASP A 104 12.118 44.805 -0.342 1.00 15.24 O +ATOM 536 CB ASP A 104 11.810 47.986 -0.585 1.00 16.89 C +ATOM 537 CG ASP A 104 11.068 47.555 0.604 1.00 17.53 C +ATOM 538 OD1 ASP A 104 11.692 47.396 1.707 1.00 19.96 O +ATOM 539 OD2 ASP A 104 9.851 47.353 0.441 1.00 19.79 O +ATOM 540 N ASP A 105 14.089 45.830 -0.792 1.00 12.95 N +ATOM 541 CA ASP A 105 14.938 44.856 -0.174 1.00 13.54 C +ATOM 542 C ASP A 105 15.607 45.501 1.021 1.00 14.08 C +ATOM 543 O ASP A 105 16.394 46.442 0.866 1.00 14.66 O +ATOM 544 CB ASP A 105 15.989 44.385 -1.172 1.00 13.19 C +ATOM 545 CG ASP A 105 15.397 43.636 -2.357 1.00 15.46 C +ATOM 546 OD1 ASP A 105 14.202 43.339 -2.356 1.00 16.20 O +ATOM 547 OD2 ASP A 105 16.208 43.327 -3.279 1.00 16.62 O +ATOM 548 N LYS A 106 15.284 45.003 2.213 1.00 14.61 N +ATOM 549 CA LYS A 106 15.861 45.567 3.426 1.00 14.68 C +ATOM 550 C LYS A 106 16.869 44.613 4.053 1.00 13.46 C +ATOM 551 O LYS A 106 16.546 43.448 4.310 1.00 14.26 O +ATOM 552 CB LYS A 106 14.786 45.930 4.451 1.00 15.50 C +ATOM 553 CG LYS A 106 15.362 46.763 5.617 1.00 17.21 C +ATOM 554 CD LYS A 106 14.289 47.436 6.424 1.00 17.61 C +ATOM 555 CE LYS A 106 14.900 48.261 7.535 1.00 18.68 C +ATOM 556 NZ LYS A 106 13.899 49.080 8.237 1.00 17.56 N +ATOM 557 N THR A 107 18.065 45.133 4.305 1.00 13.84 N +ATOM 558 CA THR A 107 19.156 44.374 4.877 1.00 14.36 C +ATOM 559 C THR A 107 19.374 44.835 6.293 1.00 16.58 C +ATOM 560 O THR A 107 19.611 45.999 6.550 1.00 16.10 O +ATOM 561 CB THR A 107 20.441 44.517 4.067 1.00 15.58 C +ATOM 562 OG1 THR A 107 20.217 43.989 2.754 1.00 15.40 O +ATOM 563 CG2 THR A 107 21.630 43.782 4.745 1.00 14.84 C +ATOM 564 N PHE A 108 19.280 43.883 7.216 1.00 15.77 N +ATOM 565 CA PHE A 108 19.568 44.103 8.629 1.00 16.52 C +ATOM 566 C PHE A 108 20.941 43.577 8.927 1.00 17.25 C +ATOM 567 O PHE A 108 21.295 42.502 8.469 1.00 17.07 O +ATOM 568 CB PHE A 108 18.522 43.372 9.466 1.00 15.77 C +ATOM 569 CG PHE A 108 17.122 43.822 9.202 1.00 16.33 C +ATOM 570 CD1 PHE A 108 16.381 43.250 8.157 1.00 18.16 C +ATOM 571 CD2 PHE A 108 16.537 44.793 9.991 1.00 17.77 C +ATOM 572 CE1 PHE A 108 15.101 43.662 7.880 1.00 18.58 C +ATOM 573 CE2 PHE A 108 15.226 45.217 9.721 1.00 18.53 C +ATOM 574 CZ PHE A 108 14.525 44.629 8.652 1.00 17.89 C +ATOM 575 N ARG A 109 21.732 44.343 9.675 1.00 14.37 N +ATOM 576 CA ARG A 109 23.101 44.004 9.998 1.00 15.72 C +ATOM 577 C ARG A 109 23.267 44.010 11.502 1.00 15.87 C +ATOM 578 O ARG A 109 23.637 45.003 12.111 1.00 16.50 O +ATOM 579 CB ARG A 109 24.019 45.004 9.319 1.00 16.76 C +ATOM 580 CG ARG A 109 23.916 44.860 7.809 1.00 17.90 C +ATOM 581 CD ARG A 109 24.947 45.674 7.116 1.00 16.70 C +ATOM 582 NE ARG A 109 24.609 47.091 7.179 1.00 17.12 N +ATOM 583 CZ ARG A 109 25.400 48.066 6.743 1.00 16.69 C +ATOM 584 NH1 ARG A 109 26.555 47.801 6.157 1.00 17.38 N +ATOM 585 NH2 ARG A 109 25.022 49.320 6.863 1.00 16.00 N +ATOM 586 N GLU A 110 22.930 42.868 12.081 1.00 16.10 N +ATOM 587 CA GLU A 110 22.874 42.657 13.519 1.00 14.18 C +ATOM 588 C GLU A 110 22.728 41.170 13.781 1.00 15.12 C +ATOM 589 O GLU A 110 22.391 40.413 12.868 1.00 15.36 O +ATOM 590 CB GLU A 110 21.661 43.412 14.086 1.00 16.04 C +ATOM 591 CG GLU A 110 20.329 42.909 13.579 1.00 15.47 C +ATOM 592 CD GLU A 110 19.214 43.807 13.945 1.00 18.09 C +ATOM 593 OE1 GLU A 110 19.020 44.803 13.232 1.00 18.67 O +ATOM 594 OE2 GLU A 110 18.519 43.545 14.944 1.00 19.39 O +ATOM 595 N GLN A 111 22.894 40.764 15.024 1.00 15.84 N +ATOM 596 CA GLN A 111 22.746 39.372 15.384 1.00 14.56 C +ATOM 597 C GLN A 111 21.251 39.065 15.507 1.00 14.06 C +ATOM 598 O GLN A 111 20.492 39.838 16.110 1.00 16.22 O +ATOM 599 CB GLN A 111 23.471 39.050 16.689 1.00 16.04 C +ATOM 600 CG GLN A 111 23.485 37.606 17.036 1.00 14.72 C +ATOM 601 CD GLN A 111 24.290 36.749 16.070 1.00 15.06 C +ATOM 602 OE1 GLN A 111 25.131 37.259 15.328 1.00 17.22 O +ATOM 603 NE2 GLN A 111 24.094 35.440 16.124 1.00 15.97 N +HETATM 604 N MSE A 112 20.815 37.979 14.892 1.00 15.03 N +HETATM 605 CA MSE A 112 19.425 37.571 14.956 1.00 14.77 C +HETATM 606 C MSE A 112 19.331 36.065 15.077 1.00 15.59 C +HETATM 607 O MSE A 112 20.171 35.345 14.536 1.00 16.38 O +HETATM 608 CB MSE A 112 18.659 37.994 13.670 1.00 16.08 C +HETATM 609 CG MSE A 112 18.530 39.493 13.523 1.00 14.22 C +HETATM 610 SE MSE A 112 18.073 40.089 11.756 0.75 13.94 SE +HETATM 611 CE MSE A 112 19.907 39.918 10.979 1.00 18.92 C +ATOM 612 N GLU A 113 18.271 35.597 15.724 1.00 15.47 N +ATOM 613 CA GLU A 113 17.936 34.179 15.767 1.00 16.67 C +ATOM 614 C GLU A 113 16.886 33.884 14.722 1.00 16.78 C +ATOM 615 O GLU A 113 15.908 34.639 14.626 1.00 17.61 O +ATOM 616 CB GLU A 113 17.368 33.826 17.128 1.00 17.85 C +ATOM 617 CG GLU A 113 18.439 33.803 18.252 1.00 22.75 C +ATOM 618 CD GLU A 113 19.511 32.707 18.119 1.00 30.83 C +ATOM 619 OE1 GLU A 113 19.411 31.798 17.248 1.00 26.99 O +ATOM 620 OE2 GLU A 113 20.504 32.764 18.892 1.00 28.71 O +ATOM 621 N ILE A 114 17.064 32.850 13.914 1.00 15.27 N +ATOM 622 CA ILE A 114 16.029 32.414 13.013 1.00 15.55 C +ATOM 623 C ILE A 114 15.050 31.565 13.813 1.00 14.99 C +ATOM 624 O ILE A 114 15.376 30.414 14.197 1.00 14.63 O +ATOM 625 CB ILE A 114 16.580 31.557 11.863 1.00 15.60 C +ATOM 626 CG1 ILE A 114 17.657 32.298 11.056 1.00 15.08 C +ATOM 627 CG2 ILE A 114 15.411 31.108 10.956 1.00 16.48 C +ATOM 628 CD1 ILE A 114 18.346 31.458 9.991 1.00 16.82 C +ATOM 629 N SER A 115 13.861 32.079 14.111 1.00 16.10 N +ATOM 630 CA SER A 115 12.890 31.272 14.858 1.00 14.58 C +ATOM 631 C SER A 115 12.208 30.275 13.944 1.00 14.22 C +ATOM 632 O SER A 115 11.843 29.182 14.395 1.00 15.48 O +ATOM 633 CB SER A 115 11.878 32.124 15.592 1.00 15.98 C +ATOM 634 OG SER A 115 11.085 32.886 14.695 1.00 14.80 O +ATOM 635 N ASN A 116 12.133 30.579 12.653 1.00 14.56 N +ATOM 636 CA ASN A 116 11.591 29.659 11.687 1.00 13.88 C +ATOM 637 C ASN A 116 11.981 30.104 10.306 1.00 14.67 C +ATOM 638 O ASN A 116 11.833 31.267 9.978 1.00 16.39 O +ATOM 639 CB ASN A 116 10.062 29.600 11.773 1.00 16.33 C +ATOM 640 CG ASN A 116 9.476 28.752 10.734 1.00 20.04 C +ATOM 641 OD1 ASN A 116 9.290 29.191 9.614 1.00 20.97 O +ATOM 642 ND2 ASN A 116 9.257 27.481 11.048 1.00 23.19 N +ATOM 643 N LEU A 117 12.513 29.190 9.525 1.00 15.92 N +ATOM 644 CA LEU A 117 12.695 29.391 8.096 1.00 15.31 C +ATOM 645 C LEU A 117 11.802 28.321 7.487 1.00 17.25 C +ATOM 646 O LEU A 117 11.895 27.139 7.870 1.00 18.47 O +ATOM 647 CB LEU A 117 14.146 29.223 7.678 1.00 17.20 C +ATOM 648 CG LEU A 117 14.479 29.357 6.171 1.00 19.00 C +ATOM 649 CD1 LEU A 117 15.896 29.843 6.011 1.00 19.54 C +ATOM 650 CD2 LEU A 117 14.222 28.046 5.432 1.00 21.62 C +ATOM 651 N ATHR A 118 10.879 28.731 6.602 0.34 16.62 N +ATOM 652 N BTHR A 118 10.903 28.725 6.585 0.33 18.94 N +ATOM 653 N CTHR A 118 11.032 28.681 6.485 0.33 14.67 N +ATOM 654 CA ATHR A 118 9.894 27.864 5.930 0.34 16.45 C +ATOM 655 CA BTHR A 118 9.955 27.835 5.909 0.33 20.30 C +ATOM 656 CA CTHR A 118 10.215 27.689 5.872 0.33 13.36 C +ATOM 657 C ATHR A 118 9.963 28.093 4.425 0.34 15.82 C +ATOM 658 C BTHR A 118 9.972 28.091 4.420 0.33 17.82 C +ATOM 659 C CTHR A 118 9.912 28.059 4.442 0.33 13.54 C +ATOM 660 O ATHR A 118 10.029 29.236 3.981 0.34 18.19 O +ATOM 661 O BTHR A 118 10.001 29.240 3.984 0.33 19.57 O +ATOM 662 O CTHR A 118 9.660 29.212 4.086 0.33 14.25 O +ATOM 663 CB ATHR A 118 8.411 28.224 6.294 0.34 17.28 C +ATOM 664 CB BTHR A 118 8.484 28.089 6.328 0.33 21.75 C +ATOM 665 CB CTHR A 118 8.934 27.453 6.663 0.33 12.08 C +ATOM 666 OG1ATHR A 118 8.221 28.262 7.706 0.34 14.40 O +ATOM 667 OG1BTHR A 118 8.294 29.479 6.603 0.33 28.02 O +ATOM 668 OG1CTHR A 118 8.304 26.267 6.173 0.33 11.10 O +ATOM 669 CG2ATHR A 118 7.436 27.219 5.709 0.34 14.53 C +ATOM 670 CG2BTHR A 118 8.130 27.327 7.543 0.33 24.41 C +ATOM 671 CG2CTHR A 118 7.978 28.648 6.539 0.33 8.73 C +ATOM 672 N GLY A 119 9.909 27.032 3.629 1.00 15.46 N +ATOM 673 CA GLY A 119 9.825 27.228 2.231 1.00 18.29 C +ATOM 674 C GLY A 119 9.735 25.980 1.439 1.00 16.42 C +ATOM 675 O GLY A 119 9.613 24.878 1.971 1.00 16.91 O +ATOM 676 N ASN A 120 9.784 26.196 0.135 1.00 16.03 N +ATOM 677 CA ASN A 120 9.602 25.101 -0.785 1.00 15.30 C +ATOM 678 C ASN A 120 10.598 25.115 -1.932 1.00 17.32 C +ATOM 679 O ASN A 120 11.261 26.117 -2.177 1.00 16.26 O +ATOM 680 CB ASN A 120 8.131 25.040 -1.223 1.00 16.40 C +ATOM 681 CG ASN A 120 7.661 26.301 -1.877 1.00 18.12 C +ATOM 682 OD1 ASN A 120 8.288 26.750 -2.807 1.00 16.65 O +ATOM 683 ND2 ASN A 120 6.545 26.880 -1.394 1.00 16.02 N +ATOM 684 N ILE A 121 10.693 23.971 -2.609 1.00 15.59 N +ATOM 685 CA ILE A 121 11.625 23.746 -3.674 1.00 15.62 C +ATOM 686 C ILE A 121 10.796 23.364 -4.869 1.00 15.57 C +ATOM 687 O ILE A 121 9.819 22.603 -4.761 1.00 16.86 O +ATOM 688 CB ILE A 121 12.570 22.542 -3.374 1.00 14.66 C +ATOM 689 CG1 ILE A 121 13.310 22.735 -2.036 1.00 17.82 C +ATOM 690 CG2 ILE A 121 13.542 22.308 -4.528 1.00 16.78 C +ATOM 691 CD1 ILE A 121 13.840 21.439 -1.435 1.00 15.89 C +ATOM 692 N SER A 122 11.200 23.888 -6.022 1.00 14.18 N +ATOM 693 CA SER A 122 10.573 23.576 -7.297 1.00 17.01 C +ATOM 694 C SER A 122 11.645 23.814 -8.350 1.00 16.54 C +ATOM 695 O SER A 122 12.820 23.977 -8.000 1.00 17.39 O +ATOM 696 CB SER A 122 9.308 24.444 -7.488 1.00 18.09 C +ATOM 697 OG SER A 122 9.568 25.827 -7.339 1.00 16.53 O +ATOM 698 N SER A 123 11.275 23.827 -9.630 1.00 19.57 N +ATOM 699 CA SER A 123 12.225 24.193 -10.676 1.00 18.45 C +ATOM 700 C SER A 123 11.666 25.318 -11.536 1.00 20.49 C +ATOM 701 O SER A 123 10.450 25.484 -11.668 1.00 19.51 O +ATOM 702 CB SER A 123 12.585 23.005 -11.578 1.00 19.35 C +ATOM 703 OG SER A 123 11.421 22.481 -12.185 1.00 18.32 O +HETATM 704 N MSE A 124 12.585 26.110 -12.076 1.00 18.65 N +HETATM 705 CA MSE A 124 12.255 27.147 -13.034 1.00 22.95 C +HETATM 706 C MSE A 124 13.452 27.389 -13.948 1.00 26.21 C +HETATM 707 O MSE A 124 14.588 27.446 -13.478 1.00 26.29 O +HETATM 708 CB MSE A 124 11.872 28.413 -12.280 1.00 25.54 C +HETATM 709 CG MSE A 124 11.338 29.506 -13.116 1.00 27.19 C +HETATM 710 SE MSE A 124 10.382 30.819 -12.039 0.75 22.09 SE +HETATM 711 CE MSE A 124 9.278 31.199 -13.502 1.00 23.42 C +ATOM 712 N ASN A 125 13.190 27.532 -15.248 1.00 30.91 N +ATOM 713 CA ASN A 125 14.237 27.847 -16.241 1.00 33.86 C +ATOM 714 C ASN A 125 15.496 26.995 -16.075 1.00 34.60 C +ATOM 715 O ASN A 125 16.608 27.531 -15.953 1.00 36.48 O +ATOM 716 CB ASN A 125 14.595 29.339 -16.159 1.00 35.64 C +ATOM 717 N GLU A 126 15.288 25.676 -16.009 1.00 31.58 N +ATOM 718 CA GLU A 126 16.347 24.688 -15.860 1.00 31.40 C +ATOM 719 C GLU A 126 17.197 24.804 -14.565 1.00 30.20 C +ATOM 720 O GLU A 126 18.330 24.314 -14.521 1.00 31.08 O +ATOM 721 CB GLU A 126 17.261 24.730 -17.100 1.00 32.51 C +ATOM 722 N GLN A 127 16.663 25.424 -13.511 1.00 26.08 N +ATOM 723 CA GLN A 127 17.437 25.621 -12.307 1.00 22.64 C +ATOM 724 C GLN A 127 16.548 25.345 -11.106 1.00 22.37 C +ATOM 725 O GLN A 127 15.314 25.359 -11.223 1.00 19.49 O +ATOM 726 CB GLN A 127 17.978 27.052 -12.250 1.00 26.26 C +ATOM 727 CG GLN A 127 18.885 27.439 -13.450 1.00 28.22 C +ATOM 728 N VAL A 128 17.189 25.051 -9.981 1.00 20.73 N +ATOM 729 CA VAL A 128 16.481 24.951 -8.713 1.00 19.33 C +ATOM 730 C VAL A 128 15.816 26.302 -8.454 1.00 20.72 C +ATOM 731 O VAL A 128 16.422 27.352 -8.681 1.00 21.00 O +ATOM 732 CB VAL A 128 17.450 24.590 -7.543 1.00 19.16 C +ATOM 733 CG1 VAL A 128 16.782 24.804 -6.171 1.00 21.82 C +ATOM 734 CG2 VAL A 128 17.957 23.161 -7.684 1.00 19.39 C +ATOM 735 N TYR A 129 14.576 26.280 -7.948 1.00 18.44 N +ATOM 736 CA TYR A 129 13.871 27.487 -7.546 1.00 17.66 C +ATOM 737 C TYR A 129 13.465 27.311 -6.090 1.00 16.73 C +ATOM 738 O TYR A 129 12.733 26.385 -5.765 1.00 16.21 O +ATOM 739 CB TYR A 129 12.637 27.713 -8.408 1.00 16.87 C +ATOM 740 CG TYR A 129 12.025 29.061 -8.142 1.00 17.90 C +ATOM 741 CD1 TYR A 129 11.042 29.236 -7.186 1.00 19.56 C +ATOM 742 CD2 TYR A 129 12.435 30.170 -8.847 1.00 19.94 C +ATOM 743 CE1 TYR A 129 10.473 30.465 -6.948 1.00 18.19 C +ATOM 744 CE2 TYR A 129 11.869 31.430 -8.608 1.00 22.17 C +ATOM 745 CZ TYR A 129 10.888 31.567 -7.655 1.00 18.63 C +ATOM 746 OH TYR A 129 10.326 32.800 -7.403 1.00 21.52 O +ATOM 747 N LEU A 130 14.000 28.163 -5.220 1.00 17.87 N +ATOM 748 CA LEU A 130 13.645 28.157 -3.819 1.00 17.79 C +ATOM 749 C LEU A 130 12.733 29.333 -3.516 1.00 16.25 C +ATOM 750 O LEU A 130 12.976 30.430 -3.971 1.00 17.92 O +ATOM 751 CB LEU A 130 14.881 28.286 -2.944 1.00 19.95 C +ATOM 752 CG LEU A 130 15.902 27.180 -3.067 1.00 20.21 C +ATOM 753 CD1 LEU A 130 16.990 27.374 -2.004 1.00 23.04 C +ATOM 754 CD2 LEU A 130 15.228 25.851 -2.930 1.00 18.55 C +ATOM 755 N HIS A 131 11.667 29.093 -2.752 1.00 17.16 N +ATOM 756 CA HIS A 131 10.799 30.130 -2.245 1.00 16.67 C +ATOM 757 C HIS A 131 10.795 29.969 -0.736 1.00 15.63 C +ATOM 758 O HIS A 131 10.234 29.016 -0.234 1.00 16.66 O +ATOM 759 CB HIS A 131 9.404 29.999 -2.848 1.00 15.70 C +ATOM 760 CG HIS A 131 8.485 31.119 -2.505 1.00 16.03 C +ATOM 761 ND1 HIS A 131 7.119 31.000 -2.597 1.00 17.10 N +ATOM 762 CD2 HIS A 131 8.727 32.358 -2.001 1.00 17.16 C +ATOM 763 CE1 HIS A 131 6.559 32.136 -2.202 1.00 20.50 C +ATOM 764 NE2 HIS A 131 7.515 32.984 -1.857 1.00 17.92 N +ATOM 765 N LEU A 132 11.470 30.891 -0.059 1.00 14.80 N +ATOM 766 CA LEU A 132 11.733 30.798 1.362 1.00 16.46 C +ATOM 767 C LEU A 132 11.261 32.046 2.055 1.00 15.42 C +ATOM 768 O LEU A 132 11.549 33.151 1.614 1.00 14.37 O +ATOM 769 CB LEU A 132 13.250 30.652 1.602 1.00 15.93 C +ATOM 770 CG LEU A 132 13.976 29.529 0.856 1.00 17.90 C +ATOM 771 CD1 LEU A 132 15.475 29.547 1.180 1.00 18.45 C +ATOM 772 CD2 LEU A 132 13.330 28.171 1.172 1.00 21.68 C +ATOM 773 N HIS A 133 10.511 31.867 3.132 1.00 15.55 N +ATOM 774 CA HIS A 133 10.166 32.932 4.032 1.00 14.96 C +ATOM 775 C HIS A 133 10.812 32.670 5.392 1.00 15.19 C +ATOM 776 O HIS A 133 11.295 31.568 5.671 1.00 14.96 O +ATOM 777 CB HIS A 133 8.647 33.050 4.166 1.00 15.65 C +ATOM 778 CG HIS A 133 7.959 33.624 2.968 1.00 15.17 C +ATOM 779 ND1 HIS A 133 6.677 34.122 3.027 1.00 16.35 N +ATOM 780 CD2 HIS A 133 8.383 33.824 1.697 1.00 14.94 C +ATOM 781 CE1 HIS A 133 6.339 34.576 1.826 1.00 15.72 C +ATOM 782 NE2 HIS A 133 7.380 34.466 1.022 1.00 15.06 N +ATOM 783 N ILE A 134 10.845 33.677 6.245 1.00 14.46 N +ATOM 784 CA ILE A 134 11.577 33.557 7.474 1.00 13.96 C +ATOM 785 C ILE A 134 10.982 34.457 8.527 1.00 14.46 C +ATOM 786 O ILE A 134 10.392 35.494 8.211 1.00 14.75 O +ATOM 787 CB ILE A 134 13.071 33.910 7.217 1.00 14.10 C +ATOM 788 CG1 ILE A 134 14.031 33.413 8.302 1.00 12.54 C +ATOM 789 CG2 ILE A 134 13.278 35.449 6.954 1.00 16.39 C +ATOM 790 CD1 ILE A 134 15.499 33.608 7.960 1.00 14.17 C +ATOM 791 N THR A 135 11.193 34.049 9.785 1.00 14.27 N +ATOM 792 CA THR A 135 10.863 34.777 10.965 1.00 13.95 C +ATOM 793 C THR A 135 12.114 34.787 11.802 1.00 14.50 C +ATOM 794 O THR A 135 12.732 33.716 12.023 1.00 14.47 O +ATOM 795 CB THR A 135 9.720 34.152 11.756 1.00 13.11 C +ATOM 796 OG1 THR A 135 8.644 33.831 10.860 1.00 15.37 O +ATOM 797 CG2 THR A 135 9.275 35.077 12.883 1.00 16.13 C +ATOM 798 N VAL A 136 12.516 35.972 12.221 1.00 14.88 N +ATOM 799 CA VAL A 136 13.691 36.144 13.049 1.00 14.12 C +ATOM 800 C VAL A 136 13.388 36.936 14.320 1.00 13.47 C +ATOM 801 O VAL A 136 12.452 37.716 14.352 1.00 14.36 O +ATOM 802 CB VAL A 136 14.856 36.823 12.291 1.00 16.11 C +ATOM 803 CG1 VAL A 136 15.215 36.010 11.031 1.00 15.96 C +ATOM 804 CG2 VAL A 136 14.518 38.285 11.964 1.00 16.42 C +ATOM 805 N GLY A 137 14.180 36.682 15.366 1.00 14.25 N +ATOM 806 CA GLY A 137 14.196 37.454 16.600 1.00 14.38 C +ATOM 807 C GLY A 137 15.411 38.325 16.685 1.00 14.03 C +ATOM 808 O GLY A 137 16.531 37.894 16.389 1.00 15.02 O +ATOM 809 N ARG A 138 15.195 39.552 17.123 1.00 14.62 N +ATOM 810 CA ARG A 138 16.284 40.505 17.356 1.00 14.72 C +ATOM 811 C ARG A 138 16.738 40.395 18.796 1.00 14.90 C +ATOM 812 O ARG A 138 16.188 39.613 19.574 1.00 15.50 O +ATOM 813 CB ARG A 138 15.826 41.923 17.019 1.00 15.51 C +ATOM 814 CG ARG A 138 15.193 42.007 15.646 1.00 17.63 C +ATOM 815 CD ARG A 138 14.679 43.434 15.354 1.00 15.29 C +ATOM 816 NE ARG A 138 15.702 44.288 14.742 1.00 15.23 N +ATOM 817 CZ ARG A 138 15.455 45.416 14.091 1.00 17.59 C +ATOM 818 NH1 ARG A 138 14.250 45.920 14.041 1.00 16.95 N +ATOM 819 NH2 ARG A 138 16.427 46.060 13.507 1.00 17.02 N +ATOM 820 N SER A 139 17.750 41.173 19.170 1.00 14.54 N +ATOM 821 CA SER A 139 18.303 41.092 20.520 1.00 15.54 C +ATOM 822 C SER A 139 17.318 41.538 21.596 1.00 16.07 C +ATOM 823 O SER A 139 17.509 41.217 22.762 1.00 17.71 O +ATOM 824 CB SER A 139 19.593 41.904 20.636 1.00 17.89 C +ATOM 825 OG SER A 139 19.319 43.263 20.475 1.00 17.18 O +ATOM 826 N ASP A 140 16.271 42.265 21.209 1.00 16.33 N +ATOM 827 CA ASP A 140 15.204 42.661 22.143 1.00 15.80 C +ATOM 828 C ASP A 140 14.000 41.729 22.090 1.00 15.60 C +ATOM 829 O ASP A 140 12.952 42.034 22.659 1.00 17.85 O +ATOM 830 CB ASP A 140 14.763 44.114 21.901 1.00 17.14 C +ATOM 831 CG ASP A 140 14.093 44.337 20.570 1.00 20.35 C +ATOM 832 OD1 ASP A 140 14.018 43.404 19.740 1.00 16.43 O +ATOM 833 OD2 ASP A 140 13.638 45.482 20.336 1.00 21.85 O +ATOM 834 N TYR A 141 14.165 40.626 21.354 1.00 14.89 N +ATOM 835 CA TYR A 141 13.182 39.533 21.207 1.00 16.15 C +ATOM 836 C TYR A 141 12.038 39.919 20.288 1.00 15.81 C +ATOM 837 O TYR A 141 11.194 39.071 19.988 1.00 15.71 O +ATOM 838 CB TYR A 141 12.660 38.979 22.555 1.00 16.80 C +ATOM 839 CG TYR A 141 13.800 38.634 23.475 1.00 17.59 C +ATOM 840 CD1 TYR A 141 14.523 37.472 23.301 1.00 20.29 C +ATOM 841 CD2 TYR A 141 14.203 39.528 24.461 1.00 18.54 C +ATOM 842 CE1 TYR A 141 15.604 37.172 24.138 1.00 18.45 C +ATOM 843 CE2 TYR A 141 15.291 39.256 25.264 1.00 21.75 C +ATOM 844 CZ TYR A 141 15.967 38.065 25.103 1.00 20.20 C +ATOM 845 OH TYR A 141 17.042 37.812 25.936 1.00 23.13 O +ATOM 846 N SER A 142 12.057 41.132 19.731 1.00 16.28 N +ATOM 847 CA SER A 142 11.058 41.495 18.746 1.00 14.76 C +ATOM 848 C SER A 142 11.289 40.678 17.488 1.00 14.99 C +ATOM 849 O SER A 142 12.418 40.275 17.210 1.00 15.12 O +ATOM 850 CB SER A 142 11.070 42.988 18.438 1.00 15.52 C +ATOM 851 OG SER A 142 12.274 43.392 17.789 1.00 17.04 O +ATOM 852 N ALA A 143 10.215 40.382 16.764 1.00 15.14 N +ATOM 853 CA ALA A 143 10.289 39.570 15.593 1.00 14.64 C +ATOM 854 C ALA A 143 10.155 40.365 14.305 1.00 16.58 C +ATOM 855 O ALA A 143 9.329 41.278 14.231 1.00 16.29 O +ATOM 856 CB ALA A 143 9.225 38.471 15.639 1.00 16.25 C +ATOM 857 N LEU A 144 10.930 39.958 13.299 1.00 15.36 N +ATOM 858 CA LEU A 144 10.796 40.433 11.922 1.00 14.94 C +ATOM 859 C LEU A 144 10.394 39.234 11.068 1.00 15.20 C +ATOM 860 O LEU A 144 10.746 38.085 11.380 1.00 15.37 O +ATOM 861 CB LEU A 144 12.094 41.023 11.405 1.00 15.66 C +ATOM 862 CG LEU A 144 12.720 42.145 12.227 1.00 15.52 C +ATOM 863 CD1 LEU A 144 14.151 42.354 11.704 1.00 16.63 C +ATOM 864 CD2 LEU A 144 11.921 43.423 12.165 1.00 17.82 C +ATOM 865 N ALA A 145 9.704 39.478 9.976 1.00 13.77 N +ATOM 866 CA ALA A 145 9.205 38.402 9.145 1.00 14.88 C +ATOM 867 C ALA A 145 9.041 38.861 7.719 1.00 13.70 C +ATOM 868 O ALA A 145 8.673 40.014 7.456 1.00 15.65 O +ATOM 869 CB ALA A 145 7.853 37.910 9.667 1.00 15.06 C +ATOM 870 N GLY A 146 9.261 37.928 6.796 1.00 14.32 N +ATOM 871 CA GLY A 146 9.048 38.207 5.408 1.00 14.28 C +ATOM 872 C GLY A 146 9.653 37.226 4.447 1.00 15.89 C +ATOM 873 O GLY A 146 10.087 36.161 4.824 1.00 16.02 O +ATOM 874 N AHIS A 147 9.696 37.633 3.181 0.50 14.27 N +ATOM 875 N BHIS A 147 9.683 37.637 3.186 0.50 14.53 N +ATOM 876 CA AHIS A 147 10.267 36.845 2.098 0.50 13.76 C +ATOM 877 CA BHIS A 147 10.246 36.862 2.106 0.50 14.07 C +ATOM 878 C AHIS A 147 11.775 36.980 2.140 0.50 14.49 C +ATOM 879 C BHIS A 147 11.765 36.982 2.164 0.50 14.69 C +ATOM 880 O AHIS A 147 12.304 38.072 2.075 0.50 15.86 O +ATOM 881 O BHIS A 147 12.292 38.075 2.126 0.50 15.48 O +ATOM 882 CB AHIS A 147 9.702 37.333 0.778 0.50 14.15 C +ATOM 883 CB BHIS A 147 9.716 37.408 0.797 0.50 14.91 C +ATOM 884 CG AHIS A 147 10.413 36.848 -0.445 0.50 13.74 C +ATOM 885 CG BHIS A 147 10.279 36.751 -0.413 0.50 14.82 C +ATOM 886 ND1AHIS A 147 10.999 35.607 -0.561 0.50 14.97 N +ATOM 887 ND1BHIS A 147 9.584 35.817 -1.149 0.50 17.81 N +ATOM 888 CD2AHIS A 147 10.534 37.433 -1.657 0.50 12.69 C +ATOM 889 CD2BHIS A 147 11.463 36.919 -1.036 0.50 14.14 C +ATOM 890 CE1AHIS A 147 11.478 35.471 -1.790 0.50 13.12 C +ATOM 891 CE1BHIS A 147 10.331 35.424 -2.165 0.50 19.11 C +ATOM 892 NE2AHIS A 147 11.223 36.573 -2.462 0.50 16.38 N +ATOM 893 NE2BHIS A 147 11.473 36.079 -2.121 0.50 14.83 N +ATOM 894 N LEU A 148 12.452 35.845 2.290 1.00 14.36 N +ATOM 895 CA LEU A 148 13.887 35.797 2.441 1.00 15.35 C +ATOM 896 C LEU A 148 14.637 35.853 1.128 1.00 14.42 C +ATOM 897 O LEU A 148 14.395 35.031 0.237 1.00 15.13 O +ATOM 898 CB LEU A 148 14.271 34.488 3.141 1.00 15.41 C +ATOM 899 CG LEU A 148 15.749 34.194 3.313 1.00 14.07 C +ATOM 900 CD1 LEU A 148 16.443 35.234 4.234 1.00 16.83 C +ATOM 901 CD2 LEU A 148 15.928 32.764 3.834 1.00 14.72 C +ATOM 902 N LEU A 149 15.561 36.802 1.007 1.00 13.11 N +ATOM 903 CA LEU A 149 16.510 36.836 -0.120 1.00 14.15 C +ATOM 904 C LEU A 149 17.870 36.265 0.221 1.00 15.37 C +ATOM 905 O LEU A 149 18.474 35.570 -0.591 1.00 16.30 O +ATOM 906 CB LEU A 149 16.717 38.263 -0.635 1.00 15.32 C +ATOM 907 CG LEU A 149 15.486 38.959 -1.230 1.00 17.83 C +ATOM 908 CD1 LEU A 149 15.934 40.277 -1.854 1.00 16.51 C +ATOM 909 CD2 LEU A 149 14.768 38.059 -2.270 1.00 16.39 C +ATOM 910 N ASER A 150 18.350 36.572 1.415 0.50 14.75 N +ATOM 911 N BSER A 150 18.357 36.569 1.419 0.50 14.27 N +ATOM 912 CA ASER A 150 19.646 36.095 1.854 0.50 15.13 C +ATOM 913 CA BSER A 150 19.730 36.260 1.808 0.50 14.42 C +ATOM 914 C ASER A 150 19.805 36.256 3.343 0.50 15.66 C +ATOM 915 C BSER A 150 19.898 36.353 3.314 0.50 14.98 C +ATOM 916 O ASER A 150 19.095 37.032 3.976 0.50 15.76 O +ATOM 917 O BSER A 150 19.266 37.194 3.939 0.50 14.45 O +ATOM 918 CB ASER A 150 20.754 36.876 1.159 0.50 15.82 C +ATOM 919 CB BSER A 150 20.651 37.278 1.124 0.50 14.10 C +ATOM 920 OG ASER A 150 20.724 38.245 1.514 0.50 17.44 O +ATOM 921 OG BSER A 150 22.030 37.108 1.444 0.50 16.50 O +ATOM 922 N ALA A 151 20.733 35.493 3.901 1.00 15.47 N +ATOM 923 CA ALA A 151 21.056 35.582 5.313 1.00 15.25 C +ATOM 924 C ALA A 151 22.422 34.960 5.520 1.00 15.89 C +ATOM 925 O ALA A 151 22.664 33.882 5.008 1.00 17.66 O +ATOM 926 CB ALA A 151 20.032 34.888 6.175 1.00 17.13 C +ATOM 927 N ILE A 152 23.284 35.620 6.283 1.00 17.75 N +ATOM 928 CA ILE A 152 24.629 35.115 6.568 1.00 16.60 C +ATOM 929 C ILE A 152 24.649 34.503 7.959 1.00 15.59 C +ATOM 930 O ILE A 152 24.431 35.203 8.952 1.00 14.60 O +ATOM 931 CB ILE A 152 25.691 36.228 6.475 1.00 15.24 C +ATOM 932 CG1 ILE A 152 25.683 36.850 5.067 1.00 18.50 C +ATOM 933 CG2 ILE A 152 27.087 35.670 6.828 1.00 16.56 C +ATOM 934 CD1 ILE A 152 26.600 38.096 4.925 1.00 20.80 C +ATOM 935 N GLN A 153 24.917 33.201 8.027 1.00 14.68 N +ATOM 936 CA GLN A 153 24.981 32.509 9.289 1.00 15.06 C +ATOM 937 C GLN A 153 26.061 33.050 10.215 1.00 16.02 C +ATOM 938 O GLN A 153 27.154 33.402 9.789 1.00 15.35 O +ATOM 939 CB GLN A 153 25.180 31.031 9.023 1.00 14.81 C +ATOM 940 CG GLN A 153 25.114 30.123 10.240 1.00 15.57 C +ATOM 941 CD GLN A 153 25.027 28.711 9.849 1.00 19.70 C +ATOM 942 OE1 GLN A 153 24.276 28.364 8.940 1.00 18.70 O +ATOM 943 NE2 GLN A 153 25.771 27.868 10.531 1.00 19.54 N +ATOM 944 N ASN A 154 25.720 33.105 11.489 1.00 16.99 N +ATOM 945 CA ASN A 154 26.650 33.470 12.552 1.00 15.01 C +ATOM 946 C ASN A 154 26.245 32.674 13.790 1.00 15.43 C +ATOM 947 O ASN A 154 25.571 33.170 14.699 1.00 16.91 O +ATOM 948 CB ASN A 154 26.653 34.976 12.800 1.00 15.73 C +ATOM 949 CG ASN A 154 27.852 35.399 13.600 1.00 20.62 C +ATOM 950 OD1 ASN A 154 28.941 34.860 13.398 1.00 20.61 O +ATOM 951 ND2 ASN A 154 27.668 36.325 14.532 1.00 19.57 N +ATOM 952 N GLY A 155 26.673 31.414 13.799 1.00 16.05 N +ATOM 953 CA GLY A 155 26.267 30.426 14.801 1.00 16.41 C +ATOM 954 C GLY A 155 25.950 29.146 14.046 1.00 16.88 C +ATOM 955 O GLY A 155 26.705 28.751 13.148 1.00 18.49 O +ATOM 956 N ALA A 156 24.825 28.521 14.382 1.00 16.48 N +ATOM 957 CA ALA A 156 24.374 27.266 13.804 1.00 17.78 C +ATOM 958 C ALA A 156 23.386 27.506 12.701 1.00 16.68 C +ATOM 959 O ALA A 156 22.774 28.585 12.609 1.00 17.70 O +ATOM 960 CB ALA A 156 23.719 26.415 14.901 1.00 18.84 C +ATOM 961 N GLY A 157 23.191 26.486 11.880 1.00 16.69 N +ATOM 962 CA GLY A 157 22.237 26.523 10.784 1.00 15.51 C +ATOM 963 C GLY A 157 21.767 25.115 10.497 1.00 16.14 C +ATOM 964 O GLY A 157 22.505 24.325 9.894 1.00 16.29 O +ATOM 965 N GLU A 158 20.563 24.796 10.958 1.00 16.07 N +ATOM 966 CA GLU A 158 20.076 23.411 11.067 1.00 16.24 C +ATOM 967 C GLU A 158 18.776 23.299 10.319 1.00 14.33 C +ATOM 968 O GLU A 158 17.769 23.824 10.763 1.00 14.56 O +ATOM 969 CB GLU A 158 19.899 23.083 12.546 1.00 16.11 C +ATOM 970 CG GLU A 158 21.222 23.160 13.310 1.00 16.21 C +ATOM 971 CD GLU A 158 21.101 23.013 14.809 1.00 17.28 C +ATOM 972 OE1 GLU A 158 20.024 22.606 15.296 1.00 18.18 O +ATOM 973 OE2 GLU A 158 22.119 23.282 15.488 1.00 16.95 O +ATOM 974 N PHE A 159 18.809 22.656 9.155 1.00 16.80 N +ATOM 975 CA PHE A 159 17.682 22.633 8.238 1.00 16.41 C +ATOM 976 C PHE A 159 17.320 21.230 7.837 1.00 20.02 C +ATOM 977 O PHE A 159 18.196 20.366 7.773 1.00 23.54 O +ATOM 978 CB PHE A 159 17.997 23.487 6.999 1.00 17.74 C +ATOM 979 CG PHE A 159 18.318 24.889 7.362 1.00 16.48 C +ATOM 980 CD1 PHE A 159 17.294 25.779 7.630 1.00 19.61 C +ATOM 981 CD2 PHE A 159 19.615 25.306 7.536 1.00 19.39 C +ATOM 982 CE1 PHE A 159 17.567 27.056 8.042 1.00 20.24 C +ATOM 983 CE2 PHE A 159 19.889 26.590 7.935 1.00 19.56 C +ATOM 984 CZ PHE A 159 18.872 27.461 8.208 1.00 18.10 C +ATOM 985 N VAL A 160 16.030 20.988 7.659 1.00 15.74 N +ATOM 986 CA VAL A 160 15.533 19.711 7.174 1.00 17.18 C +ATOM 987 C VAL A 160 15.037 19.956 5.748 1.00 17.15 C +ATOM 988 O VAL A 160 14.176 20.831 5.523 1.00 16.62 O +ATOM 989 CB VAL A 160 14.408 19.145 8.046 1.00 16.47 C +ATOM 990 CG1 VAL A 160 13.931 17.794 7.487 1.00 18.19 C +ATOM 991 CG2 VAL A 160 14.896 18.977 9.502 1.00 19.65 C +ATOM 992 N VAL A 161 15.595 19.217 4.798 1.00 15.66 N +ATOM 993 CA VAL A 161 15.218 19.329 3.374 1.00 15.95 C +ATOM 994 C VAL A 161 14.545 18.029 2.990 1.00 16.56 C +ATOM 995 O VAL A 161 15.184 16.976 3.093 1.00 17.61 O +ATOM 996 CB VAL A 161 16.411 19.566 2.477 1.00 15.51 C +ATOM 997 CG1 VAL A 161 15.982 19.631 0.982 1.00 20.06 C +ATOM 998 CG2 VAL A 161 17.148 20.820 2.879 1.00 16.31 C +ATOM 999 N GLU A 162 13.267 18.083 2.632 1.00 16.70 N +ATOM 1000 CA GLU A 162 12.549 16.911 2.164 1.00 18.22 C +ATOM 1001 C GLU A 162 12.557 16.920 0.650 1.00 18.22 C +ATOM 1002 O GLU A 162 12.278 17.941 0.038 1.00 16.81 O +ATOM 1003 CB GLU A 162 11.111 16.879 2.637 1.00 18.93 C +ATOM 1004 CG GLU A 162 10.403 15.587 2.225 1.00 26.03 C +ATOM 1005 CD GLU A 162 9.004 15.447 2.780 1.00 30.38 C +ATOM 1006 OE1 GLU A 162 8.603 16.272 3.633 1.00 38.91 O +ATOM 1007 OE2 GLU A 162 8.302 14.506 2.347 1.00 37.54 O +ATOM 1008 N ASP A 163 12.839 15.761 0.080 1.00 16.86 N +ATOM 1009 CA ASP A 163 12.871 15.550 -1.360 1.00 16.61 C +ATOM 1010 C ASP A 163 11.593 14.809 -1.762 1.00 16.96 C +ATOM 1011 O ASP A 163 11.354 13.694 -1.308 1.00 18.80 O +ATOM 1012 CB ASP A 163 14.099 14.725 -1.697 1.00 16.26 C +ATOM 1013 CG ASP A 163 14.256 14.460 -3.164 1.00 16.24 C +ATOM 1014 OD1 ASP A 163 13.484 14.940 -4.009 1.00 17.83 O +ATOM 1015 OD2 ASP A 163 15.205 13.699 -3.479 1.00 18.84 O +ATOM 1016 N TYR A 164 10.755 15.462 -2.569 1.00 16.23 N +ATOM 1017 CA TYR A 164 9.530 14.846 -3.060 1.00 16.42 C +ATOM 1018 C TYR A 164 9.743 13.888 -4.224 1.00 18.31 C +ATOM 1019 O TYR A 164 8.834 13.144 -4.535 1.00 19.75 O +ATOM 1020 CB TYR A 164 8.513 15.890 -3.496 1.00 17.80 C +ATOM 1021 CG TYR A 164 8.042 16.849 -2.427 1.00 15.75 C +ATOM 1022 CD1 TYR A 164 8.031 16.517 -1.079 1.00 17.41 C +ATOM 1023 CD2 TYR A 164 7.516 18.087 -2.785 1.00 20.58 C +ATOM 1024 CE1 TYR A 164 7.567 17.413 -0.123 1.00 17.74 C +ATOM 1025 CE2 TYR A 164 7.053 18.967 -1.847 1.00 19.36 C +ATOM 1026 CZ TYR A 164 7.081 18.628 -0.526 1.00 18.13 C +ATOM 1027 OH TYR A 164 6.613 19.510 0.401 1.00 18.75 O +ATOM 1028 N SER A 165 10.907 13.922 -4.871 1.00 19.14 N +ATOM 1029 CA SER A 165 11.182 13.060 -6.023 1.00 18.13 C +ATOM 1030 C SER A 165 10.168 13.226 -7.154 1.00 19.42 C +ATOM 1031 O SER A 165 9.860 12.262 -7.859 1.00 20.41 O +ATOM 1032 CB SER A 165 11.266 11.573 -5.591 1.00 18.34 C +ATOM 1033 OG SER A 165 12.290 11.381 -4.654 1.00 24.25 O +ATOM 1034 N AGLU A 166 9.652 14.433 -7.328 0.80 20.37 N +ATOM 1035 N BGLU A 166 9.677 14.448 -7.336 0.20 19.88 N +ATOM 1036 CA AGLU A 166 8.672 14.733 -8.374 0.80 21.91 C +ATOM 1037 CA BGLU A 166 8.660 14.767 -8.334 0.20 20.46 C +ATOM 1038 C AGLU A 166 8.924 16.137 -8.895 0.80 21.83 C +ATOM 1039 C BGLU A 166 8.909 16.162 -8.885 0.20 20.31 C +ATOM 1040 O AGLU A 166 9.360 17.006 -8.157 0.80 21.19 O +ATOM 1041 O BGLU A 166 9.370 17.041 -8.160 0.20 20.18 O +ATOM 1042 CB AGLU A 166 7.254 14.725 -7.822 0.80 24.92 C +ATOM 1043 CB BGLU A 166 7.271 14.718 -7.700 0.20 21.52 C +ATOM 1044 CG AGLU A 166 6.751 13.430 -7.257 0.80 31.65 C +ATOM 1045 CG BGLU A 166 6.583 13.369 -7.767 0.20 23.68 C +ATOM 1046 CD AGLU A 166 6.315 12.438 -8.296 0.80 39.86 C +ATOM 1047 CD BGLU A 166 5.902 13.120 -9.099 0.20 26.79 C +ATOM 1048 OE1AGLU A 166 6.480 12.709 -9.506 0.80 49.68 O +ATOM 1049 OE1BGLU A 166 6.211 12.092 -9.744 0.20 31.50 O +ATOM 1050 OE2AGLU A 166 5.793 11.377 -7.889 0.80 44.50 O +ATOM 1051 OE2BGLU A 166 5.062 13.951 -9.503 0.20 27.78 O +ATOM 1052 N ARG A 167 8.596 16.366 -10.161 1.00 19.35 N +ATOM 1053 CA ARG A 167 8.750 17.685 -10.778 1.00 19.21 C +ATOM 1054 C ARG A 167 7.633 18.619 -10.338 1.00 19.72 C +ATOM 1055 O ARG A 167 6.482 18.214 -10.297 1.00 19.63 O +ATOM 1056 CB ARG A 167 8.717 17.564 -12.305 1.00 18.33 C +ATOM 1057 CG ARG A 167 8.593 18.875 -13.096 1.00 18.95 C +ATOM 1058 CD ARG A 167 8.604 18.595 -14.581 1.00 19.28 C +ATOM 1059 NE ARG A 167 8.435 19.819 -15.368 1.00 20.51 N +ATOM 1060 CZ ARG A 167 9.402 20.699 -15.625 1.00 26.35 C +ATOM 1061 NH1 ARG A 167 10.624 20.514 -15.137 1.00 26.20 N +ATOM 1062 NH2 ARG A 167 9.151 21.770 -16.380 1.00 21.49 N +ATOM 1063 N ILE A 168 7.987 19.849 -9.971 1.00 19.54 N +ATOM 1064 CA ILE A 168 7.008 20.940 -9.768 1.00 18.72 C +ATOM 1065 C ILE A 168 7.681 22.166 -10.343 1.00 19.17 C +ATOM 1066 O ILE A 168 8.767 22.537 -9.909 1.00 17.83 O +ATOM 1067 CB ILE A 168 6.625 21.221 -8.310 1.00 20.37 C +ATOM 1068 CG1 ILE A 168 6.009 19.982 -7.654 1.00 20.51 C +ATOM 1069 CG2 ILE A 168 5.631 22.382 -8.252 1.00 20.67 C +ATOM 1070 CD1 ILE A 168 5.661 20.189 -6.177 1.00 18.70 C +ATOM 1071 N SER A 169 7.066 22.765 -11.353 1.00 18.92 N +ATOM 1072 CA SER A 169 7.611 23.932 -12.029 1.00 19.92 C +ATOM 1073 C SER A 169 6.811 25.164 -11.659 1.00 20.00 C +ATOM 1074 O SER A 169 5.953 25.146 -10.759 1.00 20.70 O +ATOM 1075 CB SER A 169 7.613 23.720 -13.552 1.00 19.38 C +ATOM 1076 OG SER A 169 8.308 24.756 -14.267 1.00 20.66 O +ATOM 1077 N ARG A 170 7.152 26.256 -12.326 1.00 19.86 N +ATOM 1078 CA ARG A 170 6.529 27.530 -12.104 1.00 21.62 C +ATOM 1079 C ARG A 170 6.460 28.315 -13.373 1.00 19.90 C +ATOM 1080 O ARG A 170 7.261 28.123 -14.284 1.00 18.98 O +ATOM 1081 CB ARG A 170 7.354 28.324 -11.126 1.00 23.16 C +ATOM 1082 CG ARG A 170 7.183 27.817 -9.740 1.00 25.98 C +ATOM 1083 CD ARG A 170 7.783 28.742 -8.832 1.00 19.83 C +ATOM 1084 NE ARG A 170 7.862 28.201 -7.498 1.00 17.88 N +ATOM 1085 CZ ARG A 170 7.061 28.508 -6.495 1.00 18.10 C +ATOM 1086 NH1 ARG A 170 6.061 29.312 -6.663 1.00 17.32 N +ATOM 1087 NH2 ARG A 170 7.298 27.988 -5.301 1.00 18.12 N +ATOM 1088 N THR A 171 5.520 29.249 -13.395 1.00 18.43 N +ATOM 1089 CA THR A 171 5.336 30.127 -14.531 1.00 17.60 C +ATOM 1090 C THR A 171 5.178 31.530 -14.016 1.00 16.42 C +ATOM 1091 O THR A 171 4.371 31.779 -13.099 1.00 17.75 O +ATOM 1092 CB THR A 171 4.095 29.729 -15.316 1.00 17.37 C +ATOM 1093 OG1 THR A 171 4.336 28.449 -15.878 1.00 20.26 O +ATOM 1094 CG2 THR A 171 3.763 30.734 -16.439 1.00 20.01 C +ATOM 1095 N TYR A 172 5.938 32.456 -14.583 1.00 15.98 N +ATOM 1096 CA TYR A 172 5.832 33.863 -14.220 1.00 15.90 C +ATOM 1097 C TYR A 172 4.514 34.395 -14.762 1.00 17.77 C +ATOM 1098 O TYR A 172 4.227 34.284 -15.948 1.00 18.38 O +ATOM 1099 CB TYR A 172 7.018 34.648 -14.776 1.00 17.85 C +ATOM 1100 CG TYR A 172 7.011 36.133 -14.500 1.00 18.73 C +ATOM 1101 CD1 TYR A 172 7.482 36.650 -13.303 1.00 20.70 C +ATOM 1102 CD2 TYR A 172 6.554 37.018 -15.436 1.00 23.60 C +ATOM 1103 CE1 TYR A 172 7.479 38.024 -13.057 1.00 22.97 C +ATOM 1104 CE2 TYR A 172 6.568 38.377 -15.212 1.00 20.62 C +ATOM 1105 CZ TYR A 172 7.036 38.868 -14.006 1.00 23.44 C +ATOM 1106 OH TYR A 172 7.057 40.226 -13.776 1.00 26.85 O +ATOM 1107 N ASN A 173 3.699 34.928 -13.872 1.00 18.08 N +ATOM 1108 CA ASN A 173 2.439 35.568 -14.195 1.00 19.54 C +ATOM 1109 C ASN A 173 2.742 37.044 -14.406 1.00 20.03 C +ATOM 1110 O ASN A 173 3.010 37.748 -13.438 1.00 19.80 O +ATOM 1111 CB ASN A 173 1.439 35.352 -13.073 1.00 18.37 C +ATOM 1112 CG ASN A 173 0.116 35.992 -13.359 1.00 20.53 C +ATOM 1113 OD1 ASN A 173 0.052 37.031 -13.992 1.00 24.84 O +ATOM 1114 ND2 ASN A 173 -0.960 35.354 -12.923 1.00 23.55 N +ATOM 1115 N PRO A 174 2.710 37.536 -15.659 1.00 20.12 N +ATOM 1116 CA PRO A 174 3.109 38.907 -15.902 1.00 22.21 C +ATOM 1117 C PRO A 174 2.143 39.937 -15.346 1.00 23.91 C +ATOM 1118 O PRO A 174 2.552 41.081 -15.110 1.00 28.78 O +ATOM 1119 CB PRO A 174 3.191 38.985 -17.429 1.00 21.95 C +ATOM 1120 CG PRO A 174 2.303 37.975 -17.912 1.00 20.09 C +ATOM 1121 CD PRO A 174 2.320 36.859 -16.904 1.00 18.53 C +ATOM 1122 N ASP A 175 0.903 39.542 -15.107 1.00 22.03 N +ATOM 1123 CA ASP A 175 -0.067 40.456 -14.498 1.00 25.63 C +ATOM 1124 C ASP A 175 0.223 40.684 -13.020 1.00 25.58 C +ATOM 1125 O ASP A 175 0.063 41.791 -12.547 1.00 27.40 O +ATOM 1126 CB ASP A 175 -1.480 39.923 -14.634 1.00 27.91 C +ATOM 1127 CG ASP A 175 -1.893 39.732 -16.092 1.00 39.23 C +ATOM 1128 OD1 ASP A 175 -1.511 40.577 -16.939 1.00 43.53 O +ATOM 1129 OD2 ASP A 175 -2.575 38.723 -16.377 1.00 48.35 O +ATOM 1130 N LEU A 176 0.635 39.646 -12.300 1.00 21.87 N +ATOM 1131 CA LEU A 176 1.017 39.793 -10.904 1.00 20.94 C +ATOM 1132 C LEU A 176 2.477 40.179 -10.699 1.00 21.96 C +ATOM 1133 O LEU A 176 2.820 40.828 -9.710 1.00 22.60 O +ATOM 1134 CB LEU A 176 0.793 38.487 -10.148 1.00 21.27 C +ATOM 1135 CG LEU A 176 -0.623 37.946 -10.123 1.00 24.44 C +ATOM 1136 CD1 LEU A 176 -0.640 36.684 -9.246 1.00 23.69 C +ATOM 1137 CD2 LEU A 176 -1.600 39.009 -9.616 1.00 25.19 C +ATOM 1138 N GLY A 177 3.350 39.735 -11.580 1.00 19.53 N +ATOM 1139 CA GLY A 177 4.778 39.908 -11.386 1.00 19.91 C +ATOM 1140 C GLY A 177 5.386 38.887 -10.453 1.00 19.94 C +ATOM 1141 O GLY A 177 6.390 39.183 -9.801 1.00 21.72 O +ATOM 1142 N LEU A 178 4.761 37.704 -10.364 1.00 17.23 N +ATOM 1143 CA LEU A 178 5.180 36.637 -9.471 1.00 17.70 C +ATOM 1144 C LEU A 178 5.310 35.297 -10.188 1.00 17.38 C +ATOM 1145 O LEU A 178 4.615 35.020 -11.164 1.00 16.99 O +ATOM 1146 CB LEU A 178 4.162 36.481 -8.364 1.00 18.17 C +ATOM 1147 CG LEU A 178 3.949 37.711 -7.482 1.00 18.92 C +ATOM 1148 CD1 LEU A 178 2.842 37.443 -6.471 1.00 21.23 C +ATOM 1149 CD2 LEU A 178 5.247 38.122 -6.793 1.00 21.84 C +ATOM 1150 N ASN A 179 6.200 34.467 -9.671 1.00 17.31 N +ATOM 1151 CA ASN A 179 6.408 33.123 -10.169 1.00 16.55 C +ATOM 1152 C ASN A 179 5.482 32.175 -9.414 1.00 17.93 C +ATOM 1153 O ASN A 179 5.711 31.854 -8.258 1.00 17.99 O +ATOM 1154 CB ASN A 179 7.856 32.728 -9.948 1.00 16.18 C +ATOM 1155 CG ASN A 179 8.803 33.619 -10.692 1.00 19.90 C +ATOM 1156 OD1 ASN A 179 8.602 33.880 -11.867 1.00 21.73 O +ATOM 1157 ND2 ASN A 179 9.850 34.054 -10.027 1.00 20.86 N +ATOM 1158 N ILE A 180 4.456 31.701 -10.102 1.00 15.50 N +ATOM 1159 CA ILE A 180 3.380 30.921 -9.488 1.00 17.44 C +ATOM 1160 C ILE A 180 3.513 29.445 -9.820 1.00 17.38 C +ATOM 1161 O ILE A 180 3.884 29.085 -10.933 1.00 17.86 O +ATOM 1162 CB ILE A 180 1.990 31.479 -9.980 1.00 19.39 C +ATOM 1163 CG1 ILE A 180 1.810 32.953 -9.579 1.00 21.48 C +ATOM 1164 CG2 ILE A 180 0.792 30.673 -9.468 1.00 19.75 C +ATOM 1165 CD1 ILE A 180 1.897 33.237 -8.104 1.00 20.52 C +ATOM 1166 N TYR A 181 3.254 28.576 -8.852 1.00 16.46 N +ATOM 1167 CA TYR A 181 3.273 27.150 -9.100 1.00 18.37 C +ATOM 1168 C TYR A 181 2.540 26.811 -10.401 1.00 18.58 C +ATOM 1169 O TYR A 181 1.446 27.315 -10.663 1.00 16.74 O +ATOM 1170 CB TYR A 181 2.609 26.400 -7.952 1.00 16.85 C +ATOM 1171 CG TYR A 181 3.442 26.014 -6.769 1.00 16.74 C +ATOM 1172 CD1 TYR A 181 4.759 25.557 -6.904 1.00 18.47 C +ATOM 1173 CD2 TYR A 181 2.843 25.931 -5.521 1.00 17.63 C +ATOM 1174 CE1 TYR A 181 5.475 25.118 -5.801 1.00 17.84 C +ATOM 1175 CE2 TYR A 181 3.536 25.476 -4.433 1.00 16.40 C +ATOM 1176 CZ TYR A 181 4.853 25.062 -4.590 1.00 17.04 C +ATOM 1177 OH TYR A 181 5.575 24.553 -3.546 1.00 17.74 O +ATOM 1178 N ASP A 182 3.149 25.939 -11.195 1.00 19.09 N +ATOM 1179 CA ASP A 182 2.552 25.446 -12.430 1.00 21.01 C +ATOM 1180 C ASP A 182 2.706 23.933 -12.402 1.00 21.86 C +ATOM 1181 O ASP A 182 3.825 23.416 -12.559 1.00 23.54 O +ATOM 1182 CB ASP A 182 3.244 26.076 -13.621 1.00 18.93 C +ATOM 1183 CG ASP A 182 2.559 25.755 -14.922 1.00 22.67 C +ATOM 1184 OD1 ASP A 182 2.021 24.642 -15.043 1.00 26.07 O +ATOM 1185 OD2 ASP A 182 2.545 26.617 -15.820 1.00 21.79 O +ATOM 1186 N PHE A 183 1.601 23.238 -12.137 1.00 20.57 N +ATOM 1187 CA PHE A 183 1.626 21.792 -12.000 1.00 20.93 C +ATOM 1188 C PHE A 183 1.516 21.089 -13.361 1.00 20.48 C +ATOM 1189 O PHE A 183 1.614 19.875 -13.428 1.00 21.18 O +ATOM 1190 CB PHE A 183 0.497 21.314 -11.072 1.00 20.53 C +ATOM 1191 CG PHE A 183 0.534 21.926 -9.663 1.00 18.66 C +ATOM 1192 CD1 PHE A 183 1.697 21.915 -8.895 1.00 20.84 C +ATOM 1193 CD2 PHE A 183 -0.603 22.503 -9.124 1.00 22.38 C +ATOM 1194 CE1 PHE A 183 1.715 22.472 -7.610 1.00 20.85 C +ATOM 1195 CE2 PHE A 183 -0.602 23.048 -7.851 1.00 21.52 C +ATOM 1196 CZ PHE A 183 0.560 23.040 -7.085 1.00 19.21 C +ATOM 1197 N GLU A 184 1.342 21.844 -14.441 1.00 20.44 N +ATOM 1198 CA GLU A 184 1.231 21.285 -15.793 1.00 19.71 C +ATOM 1199 C GLU A 184 2.520 21.244 -16.587 1.00 23.26 C +ATOM 1200 O GLU A 184 2.745 20.290 -17.351 1.00 23.92 O +ATOM 1201 CB GLU A 184 0.245 22.106 -16.600 1.00 22.14 C +ATOM 1202 CG GLU A 184 -1.127 22.275 -15.986 1.00 27.94 C +ATOM 1203 CD GLU A 184 -1.856 20.983 -15.820 1.00 35.84 C +ATOM 1204 OE1 GLU A 184 -1.807 20.144 -16.754 1.00 43.61 O +ATOM 1205 OE2 GLU A 184 -2.479 20.801 -14.753 1.00 47.52 O +ATOM 1206 N ARG A 185 3.349 22.276 -16.470 1.00 21.79 N +ATOM 1207 CA ARG A 185 4.506 22.374 -17.351 1.00 24.30 C +ATOM 1208 C ARG A 185 5.650 21.456 -16.906 1.00 24.90 C +ATOM 1209 O ARG A 185 5.729 20.937 -15.787 1.00 25.76 O +ATOM 1210 CB ARG A 185 4.974 23.835 -17.532 1.00 26.61 C +ATOM 1211 CG ARG A 185 5.748 24.408 -16.399 1.00 22.73 C +ATOM 1212 CD ARG A 185 6.038 25.892 -16.607 1.00 22.89 C +ATOM 1213 NE ARG A 185 7.136 26.182 -17.545 1.00 17.67 N +ATOM 1214 CZ ARG A 185 7.362 27.395 -18.069 1.00 24.11 C +ATOM 1215 NH1 ARG A 185 6.569 28.413 -17.812 1.00 19.44 N +ATOM 1216 NH2 ARG A 185 8.370 27.582 -18.915 1.00 23.93 N +ATOM 1217 OXT ARG A 185 6.540 21.240 -17.725 1.00 25.26 O +TER 1218 ARG A 185 +ATOM 1219 N ASN B 43 2.782 12.515 34.985 1.00 40.49 N +ATOM 1220 CA ASN B 43 2.078 12.657 33.671 1.00 38.72 C +ATOM 1221 C ASN B 43 2.102 14.094 33.133 1.00 33.44 C +ATOM 1222 O ASN B 43 1.606 15.019 33.790 1.00 36.87 O +ATOM 1223 CB ASN B 43 0.624 12.210 33.754 1.00 41.36 C +ATOM 1224 CG ASN B 43 -0.046 12.202 32.384 1.00 44.02 C +ATOM 1225 OD1 ASN B 43 -0.916 13.023 32.101 1.00 42.27 O +ATOM 1226 ND2 ASN B 43 0.393 11.290 31.514 1.00 50.67 N +HETATM 1227 N AMSE B 44 2.692 14.287 31.955 0.50 28.47 N +HETATM 1228 N BMSE B 44 2.671 14.256 31.943 0.50 28.70 N +HETATM 1229 CA AMSE B 44 2.772 15.615 31.336 0.50 23.15 C +HETATM 1230 CA BMSE B 44 2.836 15.563 31.326 0.50 23.53 C +HETATM 1231 C AMSE B 44 2.157 15.712 29.940 0.50 20.18 C +HETATM 1232 C BMSE B 44 2.179 15.699 29.950 0.50 20.34 C +HETATM 1233 O AMSE B 44 2.060 16.815 29.409 0.50 18.69 O +HETATM 1234 O BMSE B 44 2.077 16.813 29.448 0.50 18.55 O +HETATM 1235 CB AMSE B 44 4.235 16.077 31.287 0.50 22.50 C +HETATM 1236 CB BMSE B 44 4.335 15.858 31.206 0.50 23.39 C +HETATM 1237 CG AMSE B 44 4.757 16.567 32.632 0.50 19.36 C +HETATM 1238 CG BMSE B 44 5.120 15.594 32.511 0.50 22.09 C +HETATM 1239 SE AMSE B 44 6.632 17.052 32.513 0.38 22.56 SE +HETATM 1240 SE BMSE B 44 6.975 16.039 32.341 0.37 21.93 SE +HETATM 1241 CE AMSE B 44 7.323 15.168 32.346 0.50 28.38 C +HETATM 1242 CE BMSE B 44 6.674 17.935 32.209 0.50 19.21 C +ATOM 1243 N TYR B 45 1.704 14.598 29.366 1.00 16.95 N +ATOM 1244 CA TYR B 45 1.167 14.615 28.016 1.00 16.60 C +ATOM 1245 C TYR B 45 0.389 13.362 27.685 1.00 16.80 C +ATOM 1246 O TYR B 45 0.409 12.371 28.434 1.00 16.58 O +ATOM 1247 CB TYR B 45 2.325 14.731 26.987 1.00 18.19 C +ATOM 1248 CG TYR B 45 3.443 13.743 27.256 1.00 19.13 C +ATOM 1249 CD1 TYR B 45 3.330 12.394 26.904 1.00 20.02 C +ATOM 1250 CD2 TYR B 45 4.595 14.151 27.908 1.00 19.28 C +ATOM 1251 CE1 TYR B 45 4.329 11.503 27.209 1.00 21.00 C +ATOM 1252 CE2 TYR B 45 5.598 13.261 28.203 1.00 21.37 C +ATOM 1253 CZ TYR B 45 5.460 11.961 27.858 1.00 20.52 C +ATOM 1254 OH TYR B 45 6.469 11.080 28.174 1.00 24.83 O +ATOM 1255 N ASER B 46 -0.307 13.421 26.555 0.50 16.87 N +ATOM 1256 N BSER B 46 -0.287 13.441 26.543 0.50 17.36 N +ATOM 1257 CA ASER B 46 -0.942 12.265 25.932 0.50 17.61 C +ATOM 1258 CA BSER B 46 -0.949 12.325 25.893 0.50 18.54 C +ATOM 1259 C ASER B 46 -0.507 12.318 24.475 0.50 17.44 C +ATOM 1260 C BSER B 46 -0.385 12.304 24.481 0.50 17.66 C +ATOM 1261 O ASER B 46 -0.177 13.386 23.957 0.50 16.66 O +ATOM 1262 O BSER B 46 0.183 13.301 23.993 0.50 16.26 O +ATOM 1263 CB ASER B 46 -2.466 12.302 26.055 0.50 18.56 C +ATOM 1264 CB BSER B 46 -2.463 12.521 25.836 0.50 20.14 C +ATOM 1265 OG ASER B 46 -3.018 13.449 25.420 0.50 19.09 O +ATOM 1266 OG BSER B 46 -2.975 12.991 27.069 0.50 23.32 O +ATOM 1267 N TYR B 47 -0.525 11.172 23.807 1.00 17.00 N +ATOM 1268 CA TYR B 47 -0.030 11.078 22.443 1.00 16.51 C +ATOM 1269 C TYR B 47 -0.715 9.996 21.635 1.00 19.65 C +ATOM 1270 O TYR B 47 -1.401 9.097 22.163 1.00 19.00 O +ATOM 1271 CB TYR B 47 1.487 10.859 22.433 1.00 16.80 C +ATOM 1272 CG TYR B 47 1.900 9.509 22.955 1.00 21.77 C +ATOM 1273 CD1 TYR B 47 2.072 9.303 24.310 1.00 25.46 C +ATOM 1274 CD2 TYR B 47 2.133 8.443 22.080 1.00 23.05 C +ATOM 1275 CE1 TYR B 47 2.437 8.066 24.798 1.00 24.93 C +ATOM 1276 CE2 TYR B 47 2.488 7.189 22.558 1.00 22.89 C +ATOM 1277 CZ TYR B 47 2.638 7.019 23.913 1.00 26.07 C +ATOM 1278 OH TYR B 47 3.017 5.787 24.392 1.00 29.16 O +ATOM 1279 N LYS B 48 -0.502 10.106 20.332 1.00 19.56 N +ATOM 1280 CA LYS B 48 -0.994 9.160 19.369 1.00 17.25 C +ATOM 1281 C LYS B 48 0.121 8.952 18.359 1.00 17.08 C +ATOM 1282 O LYS B 48 0.636 9.906 17.784 1.00 17.99 O +ATOM 1283 CB LYS B 48 -2.227 9.689 18.677 1.00 18.17 C +ATOM 1284 CG LYS B 48 -2.757 8.710 17.625 1.00 20.00 C +ATOM 1285 CD LYS B 48 -3.976 9.237 16.943 1.00 22.64 C +ATOM 1286 CE LYS B 48 -4.466 8.271 15.907 1.00 26.76 C +ATOM 1287 NZ LYS B 48 -4.963 7.026 16.548 1.00 24.88 N +ATOM 1288 N LYS B 49 0.491 7.698 18.165 1.00 16.73 N +ATOM 1289 CA LYS B 49 1.517 7.324 17.203 1.00 17.98 C +ATOM 1290 C LYS B 49 0.879 7.130 15.837 1.00 19.52 C +ATOM 1291 O LYS B 49 -0.108 6.377 15.708 1.00 21.15 O +ATOM 1292 CB LYS B 49 2.191 6.027 17.641 1.00 20.02 C +ATOM 1293 CG LYS B 49 3.423 5.646 16.806 1.00 21.66 C +ATOM 1294 CD LYS B 49 3.923 4.272 17.182 1.00 23.74 C +ATOM 1295 CE LYS B 49 5.179 3.869 16.395 1.00 28.81 C +ATOM 1296 NZ LYS B 49 4.856 3.569 14.969 1.00 33.75 N +ATOM 1297 N ILE B 50 1.417 7.799 14.826 1.00 19.01 N +ATOM 1298 CA ILE B 50 0.988 7.607 13.451 1.00 20.82 C +ATOM 1299 C ILE B 50 2.236 7.379 12.614 1.00 19.48 C +ATOM 1300 O ILE B 50 2.910 8.320 12.216 1.00 20.48 O +ATOM 1301 CB ILE B 50 0.183 8.776 12.910 1.00 22.14 C +ATOM 1302 CG1 ILE B 50 -1.029 9.043 13.805 1.00 26.34 C +ATOM 1303 CG2 ILE B 50 -0.267 8.453 11.463 1.00 25.87 C +ATOM 1304 CD1 ILE B 50 -1.838 10.223 13.368 1.00 25.77 C +ATOM 1305 N GLY B 51 2.535 6.114 12.352 1.00 21.42 N +ATOM 1306 CA GLY B 51 3.708 5.761 11.588 1.00 21.47 C +ATOM 1307 C GLY B 51 4.949 6.268 12.288 1.00 21.08 C +ATOM 1308 O GLY B 51 5.148 5.970 13.462 1.00 22.03 O +ATOM 1309 N ASN B 52 5.743 7.058 11.566 1.00 22.58 N +ATOM 1310 CA ASN B 52 6.993 7.640 12.072 1.00 24.09 C +ATOM 1311 C ASN B 52 6.807 8.927 12.869 1.00 22.83 C +ATOM 1312 O ASN B 52 7.786 9.549 13.240 1.00 22.09 O +ATOM 1313 CB ASN B 52 7.968 7.919 10.901 1.00 26.73 C +ATOM 1314 CG ASN B 52 7.442 8.989 9.899 1.00 32.16 C +ATOM 1315 OD1 ASN B 52 6.276 9.380 9.930 1.00 37.76 O +ATOM 1316 ND2 ASN B 52 8.312 9.430 8.991 1.00 39.97 N +ATOM 1317 N LYS B 53 5.567 9.319 13.126 1.00 19.33 N +ATOM 1318 CA LYS B 53 5.271 10.553 13.831 1.00 20.45 C +ATOM 1319 C LYS B 53 4.488 10.269 15.091 1.00 19.77 C +ATOM 1320 O LYS B 53 3.841 9.231 15.218 1.00 18.86 O +ATOM 1321 CB LYS B 53 4.442 11.471 12.943 1.00 20.92 C +ATOM 1322 CG LYS B 53 5.203 11.993 11.774 1.00 26.23 C +ATOM 1323 CD LYS B 53 4.337 12.933 10.947 1.00 28.81 C +ATOM 1324 CE LYS B 53 4.999 13.233 9.625 1.00 35.87 C +ATOM 1325 NZ LYS B 53 4.950 12.030 8.740 1.00 36.95 N +ATOM 1326 N TYR B 54 4.577 11.194 16.031 1.00 15.55 N +ATOM 1327 CA TYR B 54 3.749 11.197 17.220 1.00 16.12 C +ATOM 1328 C TYR B 54 3.034 12.530 17.296 1.00 16.51 C +ATOM 1329 O TYR B 54 3.660 13.578 17.143 1.00 18.40 O +ATOM 1330 CB TYR B 54 4.554 11.017 18.490 1.00 17.51 C +ATOM 1331 CG TYR B 54 5.273 9.689 18.644 1.00 17.24 C +ATOM 1332 CD1 TYR B 54 4.621 8.584 19.170 1.00 17.38 C +ATOM 1333 CD2 TYR B 54 6.622 9.570 18.309 1.00 19.17 C +ATOM 1334 CE1 TYR B 54 5.287 7.399 19.345 1.00 18.81 C +ATOM 1335 CE2 TYR B 54 7.289 8.383 18.473 1.00 19.44 C +ATOM 1336 CZ TYR B 54 6.629 7.312 18.998 1.00 20.35 C +ATOM 1337 OH TYR B 54 7.331 6.121 19.162 1.00 22.79 O +ATOM 1338 N ILE B 55 1.736 12.489 17.530 1.00 16.56 N +ATOM 1339 CA ILE B 55 0.974 13.686 17.776 1.00 16.24 C +ATOM 1340 C ILE B 55 0.935 13.778 19.306 1.00 16.92 C +ATOM 1341 O ILE B 55 0.429 12.863 19.969 1.00 18.12 O +ATOM 1342 CB ILE B 55 -0.437 13.601 17.166 1.00 18.53 C +ATOM 1343 CG1 ILE B 55 -0.388 13.188 15.680 1.00 21.86 C +ATOM 1344 CG2 ILE B 55 -1.144 14.902 17.343 1.00 21.10 C +ATOM 1345 CD1 ILE B 55 0.612 13.927 14.814 1.00 25.95 C +ATOM 1346 N VAL B 56 1.500 14.856 19.855 1.00 17.55 N +ATOM 1347 CA VAL B 56 1.662 15.010 21.290 1.00 16.27 C +ATOM 1348 C VAL B 56 0.825 16.170 21.791 1.00 16.24 C +ATOM 1349 O VAL B 56 0.979 17.289 21.311 1.00 18.18 O +ATOM 1350 CB VAL B 56 3.154 15.236 21.636 1.00 17.36 C +ATOM 1351 CG1 VAL B 56 3.391 15.342 23.164 1.00 17.10 C +ATOM 1352 CG2 VAL B 56 4.049 14.115 21.051 1.00 18.72 C +ATOM 1353 N SER B 57 -0.042 15.905 22.752 1.00 14.89 N +ATOM 1354 CA SER B 57 -0.873 16.892 23.360 1.00 16.02 C +ATOM 1355 C SER B 57 -0.362 17.074 24.770 1.00 15.92 C +ATOM 1356 O SER B 57 -0.493 16.214 25.616 1.00 16.40 O +ATOM 1357 CB SER B 57 -2.289 16.404 23.361 1.00 16.27 C +ATOM 1358 OG SER B 57 -3.118 17.396 23.913 1.00 19.93 O +ATOM 1359 N ILE B 58 0.280 18.200 25.016 1.00 14.81 N +ATOM 1360 CA ILE B 58 0.880 18.447 26.322 1.00 16.70 C +ATOM 1361 C ILE B 58 -0.213 18.860 27.280 1.00 15.02 C +ATOM 1362 O ILE B 58 -1.192 19.503 26.862 1.00 15.89 O +ATOM 1363 CB ILE B 58 1.993 19.510 26.178 1.00 15.87 C +ATOM 1364 CG1 ILE B 58 3.095 18.971 25.243 1.00 16.75 C +ATOM 1365 CG2 ILE B 58 2.562 19.909 27.551 1.00 15.25 C +ATOM 1366 CD1 ILE B 58 4.263 19.845 25.013 1.00 19.57 C +ATOM 1367 N ASN B 59 -0.107 18.421 28.536 1.00 15.97 N +ATOM 1368 CA ASN B 59 -1.093 18.773 29.537 1.00 16.33 C +ATOM 1369 C ASN B 59 -1.092 20.240 29.808 1.00 16.11 C +ATOM 1370 O ASN B 59 -0.058 20.886 29.759 1.00 14.71 O +ATOM 1371 CB ASN B 59 -0.790 18.073 30.865 1.00 17.64 C +ATOM 1372 CG ASN B 59 -1.018 16.565 30.819 1.00 20.45 C +ATOM 1373 OD1 ASN B 59 -1.450 16.015 29.811 1.00 19.94 O +ATOM 1374 ND2 ASN B 59 -0.721 15.895 31.920 1.00 21.45 N +ATOM 1375 N ASN B 60 -2.246 20.792 30.149 1.00 15.36 N +ATOM 1376 CA ASN B 60 -2.300 22.189 30.511 1.00 15.02 C +ATOM 1377 C ASN B 60 -1.453 22.447 31.753 1.00 14.17 C +ATOM 1378 O ASN B 60 -1.192 21.545 32.551 1.00 15.58 O +ATOM 1379 CB ASN B 60 -3.745 22.623 30.740 1.00 14.31 C +ATOM 1380 CG ASN B 60 -3.949 24.081 30.585 1.00 15.33 C +ATOM 1381 OD1 ASN B 60 -3.046 24.803 30.175 1.00 17.24 O +ATOM 1382 ND2 ASN B 60 -5.144 24.538 30.903 1.00 18.33 N +ATOM 1383 N HIS B 61 -0.976 23.690 31.866 1.00 15.49 N +ATOM 1384 CA HIS B 61 -0.205 24.163 33.028 1.00 14.26 C +ATOM 1385 C HIS B 61 1.159 23.509 33.215 1.00 17.31 C +ATOM 1386 O HIS B 61 1.754 23.597 34.270 1.00 19.96 O +ATOM 1387 CB HIS B 61 -1.020 23.985 34.319 1.00 16.58 C +ATOM 1388 CG HIS B 61 -2.436 24.436 34.211 1.00 16.68 C +ATOM 1389 ND1 HIS B 61 -2.777 25.735 33.929 1.00 23.09 N +ATOM 1390 CD2 HIS B 61 -3.596 23.775 34.422 1.00 20.74 C +ATOM 1391 CE1 HIS B 61 -4.094 25.848 33.916 1.00 25.59 C +ATOM 1392 NE2 HIS B 61 -4.613 24.671 34.212 1.00 22.96 N +ATOM 1393 N THR B 62 1.664 22.894 32.167 1.00 15.27 N +ATOM 1394 CA THR B 62 2.908 22.161 32.147 1.00 15.23 C +ATOM 1395 C THR B 62 3.963 22.958 31.417 1.00 14.79 C +ATOM 1396 O THR B 62 3.645 23.691 30.491 1.00 16.07 O +ATOM 1397 CB THR B 62 2.634 20.815 31.390 1.00 17.31 C +ATOM 1398 OG1 THR B 62 1.663 20.107 32.167 1.00 22.59 O +ATOM 1399 CG2 THR B 62 3.858 19.950 31.215 1.00 21.58 C +ATOM 1400 N GLU B 63 5.222 22.749 31.796 1.00 14.49 N +ATOM 1401 CA GLU B 63 6.328 23.386 31.129 1.00 16.05 C +ATOM 1402 C GLU B 63 6.633 22.527 29.907 1.00 15.86 C +ATOM 1403 O GLU B 63 7.020 21.362 30.009 1.00 17.19 O +ATOM 1404 CB GLU B 63 7.511 23.587 32.074 1.00 16.60 C +ATOM 1405 CG GLU B 63 8.445 24.690 31.622 1.00 17.94 C +ATOM 1406 CD GLU B 63 9.326 24.207 30.514 1.00 16.55 C +ATOM 1407 OE1 GLU B 63 10.152 23.304 30.780 1.00 18.07 O +ATOM 1408 OE2 GLU B 63 9.171 24.682 29.368 1.00 15.53 O +ATOM 1409 N AILE B 64 6.487 23.143 28.748 0.70 15.13 N +ATOM 1410 N BILE B 64 6.457 23.117 28.730 0.30 14.58 N +ATOM 1411 CA AILE B 64 6.537 22.456 27.470 0.70 15.44 C +ATOM 1412 CA BILE B 64 6.521 22.352 27.480 0.30 13.63 C +ATOM 1413 C AILE B 64 7.886 21.860 27.112 0.70 15.84 C +ATOM 1414 C BILE B 64 7.903 21.825 27.105 0.30 14.87 C +ATOM 1415 O AILE B 64 7.935 20.781 26.536 0.70 16.14 O +ATOM 1416 O BILE B 64 7.987 20.762 26.500 0.30 15.16 O +ATOM 1417 CB AILE B 64 6.070 23.438 26.348 0.70 16.48 C +ATOM 1418 CB BILE B 64 5.927 23.137 26.264 0.30 13.60 C +ATOM 1419 CG1AILE B 64 4.568 23.705 26.494 0.70 18.06 C +ATOM 1420 CG1BILE B 64 6.827 24.319 25.860 0.30 13.17 C +ATOM 1421 CG2AILE B 64 6.389 22.915 24.946 0.70 17.96 C +ATOM 1422 CG2BILE B 64 4.497 23.578 26.569 0.30 14.41 C +ATOM 1423 CD1AILE B 64 4.090 24.926 25.720 0.70 19.18 C +ATOM 1424 CD1BILE B 64 6.272 25.197 24.780 0.30 11.77 C +ATOM 1425 N VAL B 65 8.972 22.564 27.409 1.00 15.79 N +ATOM 1426 CA VAL B 65 10.331 22.052 27.099 1.00 15.20 C +ATOM 1427 C VAL B 65 10.625 20.812 27.945 1.00 16.32 C +ATOM 1428 O VAL B 65 11.037 19.801 27.417 1.00 15.76 O +ATOM 1429 CB VAL B 65 11.389 23.126 27.280 1.00 16.72 C +ATOM 1430 CG1 VAL B 65 12.793 22.549 27.027 1.00 16.27 C +ATOM 1431 CG2 VAL B 65 11.092 24.283 26.313 1.00 17.82 C +ATOM 1432 N LYS B 66 10.340 20.891 29.237 1.00 14.81 N +ATOM 1433 CA LYS B 66 10.478 19.727 30.102 1.00 15.20 C +ATOM 1434 C LYS B 66 9.606 18.560 29.591 1.00 16.32 C +ATOM 1435 O LYS B 66 10.043 17.423 29.570 1.00 16.20 O +ATOM 1436 CB LYS B 66 10.083 20.098 31.535 1.00 16.39 C +ATOM 1437 CG LYS B 66 10.273 19.008 32.546 1.00 19.60 C +ATOM 1438 CD LYS B 66 9.813 19.468 33.927 1.00 23.55 C +ATOM 1439 CE LYS B 66 10.036 18.363 34.964 1.00 32.56 C +ATOM 1440 NZ LYS B 66 8.967 18.323 35.978 1.00 42.10 N +ATOM 1441 N ALA B 67 8.357 18.838 29.201 1.00 14.90 N +ATOM 1442 CA ALA B 67 7.474 17.803 28.679 1.00 14.38 C +ATOM 1443 C ALA B 67 8.007 17.150 27.394 1.00 15.06 C +ATOM 1444 O ALA B 67 7.943 15.937 27.249 1.00 15.81 O +ATOM 1445 CB ALA B 67 6.094 18.375 28.413 1.00 16.76 C +ATOM 1446 N LEU B 68 8.458 17.971 26.457 1.00 14.50 N +ATOM 1447 CA LEU B 68 8.994 17.464 25.202 1.00 13.97 C +ATOM 1448 C LEU B 68 10.257 16.626 25.433 1.00 17.20 C +ATOM 1449 O LEU B 68 10.397 15.565 24.845 1.00 16.15 O +ATOM 1450 CB LEU B 68 9.229 18.600 24.190 1.00 15.75 C +ATOM 1451 CG LEU B 68 7.950 19.251 23.634 1.00 16.02 C +ATOM 1452 CD1 LEU B 68 8.291 20.525 22.887 1.00 17.06 C +ATOM 1453 CD2 LEU B 68 7.152 18.310 22.722 1.00 16.47 C +ATOM 1454 N ASN B 69 11.140 17.084 26.319 1.00 16.29 N +ATOM 1455 CA ASN B 69 12.318 16.305 26.685 1.00 18.66 C +ATOM 1456 C ASN B 69 11.877 14.983 27.295 1.00 16.88 C +ATOM 1457 O ASN B 69 12.395 13.932 26.947 1.00 17.12 O +ATOM 1458 CB ASN B 69 13.200 17.099 27.656 1.00 16.93 C +ATOM 1459 CG ASN B 69 14.194 17.991 26.951 1.00 26.54 C +ATOM 1460 OD1 ASN B 69 15.277 17.535 26.574 1.00 25.88 O +ATOM 1461 ND2 ASN B 69 13.849 19.276 26.781 1.00 23.70 N +ATOM 1462 N ALA B 70 10.870 15.015 28.171 1.00 16.78 N +ATOM 1463 CA ALA B 70 10.393 13.793 28.833 1.00 15.56 C +ATOM 1464 C ALA B 70 9.809 12.831 27.802 1.00 16.42 C +ATOM 1465 O ALA B 70 10.026 11.623 27.871 1.00 17.14 O +ATOM 1466 CB ALA B 70 9.353 14.120 29.911 1.00 16.85 C +ATOM 1467 N PHE B 71 9.039 13.358 26.856 1.00 15.65 N +ATOM 1468 CA PHE B 71 8.472 12.540 25.793 1.00 15.57 C +ATOM 1469 C PHE B 71 9.555 11.837 24.994 1.00 15.06 C +ATOM 1470 O PHE B 71 9.465 10.634 24.756 1.00 15.66 O +ATOM 1471 CB PHE B 71 7.630 13.373 24.823 1.00 15.09 C +ATOM 1472 CG PHE B 71 7.028 12.549 23.739 1.00 17.02 C +ATOM 1473 CD1 PHE B 71 5.896 11.814 23.991 1.00 17.21 C +ATOM 1474 CD2 PHE B 71 7.588 12.480 22.471 1.00 17.65 C +ATOM 1475 CE1 PHE B 71 5.341 11.003 23.029 1.00 18.52 C +ATOM 1476 CE2 PHE B 71 7.019 11.681 21.500 1.00 18.57 C +ATOM 1477 CZ PHE B 71 5.910 10.930 21.798 1.00 17.59 C +ATOM 1478 N CYS B 72 10.562 12.589 24.581 1.00 16.28 N +ATOM 1479 CA CYS B 72 11.655 12.021 23.781 1.00 17.56 C +ATOM 1480 C CYS B 72 12.452 10.963 24.547 1.00 18.26 C +ATOM 1481 O CYS B 72 12.855 9.946 23.973 1.00 19.91 O +ATOM 1482 CB CYS B 72 12.585 13.114 23.249 1.00 18.68 C +ATOM 1483 SG CYS B 72 11.764 14.156 22.033 1.00 19.48 S +ATOM 1484 N LYS B 73 12.682 11.190 25.831 1.00 17.14 N +ATOM 1485 CA LYS B 73 13.321 10.172 26.664 1.00 17.23 C +ATOM 1486 C LYS B 73 12.420 8.941 26.816 1.00 18.34 C +ATOM 1487 O LYS B 73 12.914 7.798 26.794 1.00 18.74 O +ATOM 1488 CB LYS B 73 13.616 10.718 28.045 1.00 18.97 C +ATOM 1489 CG LYS B 73 14.665 11.744 28.128 1.00 20.00 C +ATOM 1490 CD LYS B 73 14.907 12.074 29.595 1.00 29.60 C +ATOM 1491 CE LYS B 73 15.485 13.439 29.779 1.00 37.78 C +ATOM 1492 NZ LYS B 73 15.689 13.717 31.237 1.00 43.04 N +ATOM 1493 N GLU B 74 11.120 9.119 27.079 1.00 17.29 N +ATOM 1494 CA GLU B 74 10.215 7.969 27.269 1.00 17.42 C +ATOM 1495 C GLU B 74 10.121 7.074 26.041 1.00 15.24 C +ATOM 1496 O GLU B 74 9.966 5.837 26.172 1.00 15.99 O +ATOM 1497 CB GLU B 74 8.799 8.446 27.660 1.00 20.43 C +ATOM 1498 CG GLU B 74 7.678 7.366 27.732 1.00 23.54 C +ATOM 1499 CD GLU B 74 6.246 7.949 27.898 1.00 28.43 C +ATOM 1500 OE1 GLU B 74 5.276 7.315 27.431 1.00 40.63 O +ATOM 1501 OE2 GLU B 74 6.106 9.026 28.505 1.00 35.54 O +ATOM 1502 N LYS B 75 10.133 7.704 24.869 1.00 14.98 N +ATOM 1503 CA LYS B 75 9.987 7.002 23.593 1.00 16.56 C +ATOM 1504 C LYS B 75 11.320 6.634 22.988 1.00 18.65 C +ATOM 1505 O LYS B 75 11.368 6.006 21.938 1.00 20.56 O +ATOM 1506 CB LYS B 75 9.153 7.828 22.615 1.00 16.23 C +ATOM 1507 CG LYS B 75 7.703 7.986 23.022 1.00 20.30 C +ATOM 1508 CD LYS B 75 7.096 6.626 23.200 1.00 23.01 C +ATOM 1509 CE LYS B 75 5.672 6.626 23.301 1.00 33.24 C +ATOM 1510 NZ LYS B 75 5.260 5.194 23.472 1.00 30.83 N +ATOM 1511 N GLY B 76 12.397 6.991 23.662 1.00 16.95 N +ATOM 1512 CA GLY B 76 13.725 6.660 23.164 1.00 18.37 C +ATOM 1513 C GLY B 76 14.025 7.223 21.802 1.00 17.88 C +ATOM 1514 O GLY B 76 14.647 6.572 20.989 1.00 18.30 O +ATOM 1515 N ILE B 77 13.622 8.462 21.543 1.00 15.89 N +ATOM 1516 CA ILE B 77 13.808 9.043 20.222 1.00 16.72 C +ATOM 1517 C ILE B 77 15.250 9.502 20.080 1.00 17.57 C +ATOM 1518 O ILE B 77 15.732 10.286 20.885 1.00 19.82 O +ATOM 1519 CB ILE B 77 12.851 10.190 19.965 1.00 16.19 C +ATOM 1520 CG1 ILE B 77 11.425 9.646 20.021 1.00 19.29 C +ATOM 1521 CG2 ILE B 77 13.146 10.835 18.613 1.00 15.60 C +ATOM 1522 CD1 ILE B 77 10.310 10.669 19.802 1.00 18.83 C +ATOM 1523 N LEU B 78 15.928 9.002 19.044 1.00 16.45 N +ATOM 1524 CA LEU B 78 17.311 9.335 18.776 1.00 15.58 C +ATOM 1525 C LEU B 78 17.490 10.700 18.113 1.00 16.73 C +ATOM 1526 O LEU B 78 18.371 11.503 18.497 1.00 15.81 O +ATOM 1527 CB LEU B 78 17.901 8.240 17.874 1.00 17.28 C +ATOM 1528 CG LEU B 78 17.964 6.847 18.503 1.00 19.63 C +ATOM 1529 CD1 LEU B 78 18.173 5.802 17.431 1.00 17.67 C +ATOM 1530 CD2 LEU B 78 19.058 6.790 19.541 1.00 21.13 C +ATOM 1531 N SER B 79 16.642 10.955 17.121 1.00 15.18 N +ATOM 1532 CA SER B 79 16.637 12.206 16.407 1.00 15.58 C +ATOM 1533 C SER B 79 15.304 12.373 15.728 1.00 15.26 C +ATOM 1534 O SER B 79 14.512 11.428 15.609 1.00 15.27 O +ATOM 1535 CB SER B 79 17.762 12.274 15.370 1.00 16.05 C +ATOM 1536 OG SER B 79 17.547 11.349 14.341 1.00 17.16 O +ATOM 1537 N GLY B 80 15.060 13.590 15.298 1.00 14.93 N +ATOM 1538 CA GLY B 80 13.768 13.946 14.764 1.00 15.29 C +ATOM 1539 C GLY B 80 13.514 15.430 14.775 1.00 15.86 C +ATOM 1540 O GLY B 80 14.418 16.233 15.000 1.00 15.33 O +ATOM 1541 N SER B 81 12.257 15.755 14.515 1.00 17.10 N +ATOM 1542 CA SER B 81 11.817 17.130 14.476 1.00 15.37 C +ATOM 1543 C SER B 81 10.620 17.323 15.370 1.00 16.64 C +ATOM 1544 O SER B 81 9.888 16.380 15.651 1.00 15.73 O +ATOM 1545 CB SER B 81 11.442 17.520 13.050 1.00 18.70 C +ATOM 1546 OG SER B 81 10.331 16.761 12.642 1.00 21.15 O +ATOM 1547 N ILE B 82 10.452 18.551 15.834 1.00 15.86 N +ATOM 1548 CA ILE B 82 9.314 18.921 16.650 1.00 15.21 C +ATOM 1549 C ILE B 82 8.733 20.193 16.054 1.00 16.33 C +ATOM 1550 O ILE B 82 9.454 21.147 15.785 1.00 16.62 O +ATOM 1551 CB ILE B 82 9.700 19.177 18.112 1.00 16.52 C +ATOM 1552 CG1 ILE B 82 10.386 17.928 18.717 1.00 16.44 C +ATOM 1553 CG2 ILE B 82 8.444 19.580 18.924 1.00 18.15 C +ATOM 1554 CD1 ILE B 82 10.874 18.074 20.168 1.00 16.50 C +ATOM 1555 N ASN B 83 7.422 20.196 15.855 1.00 17.27 N +ATOM 1556 CA ASN B 83 6.724 21.375 15.342 1.00 16.47 C +ATOM 1557 C ASN B 83 5.371 21.463 15.984 1.00 19.04 C +ATOM 1558 O ASN B 83 4.697 20.469 16.109 1.00 21.51 O +ATOM 1559 CB ASN B 83 6.556 21.271 13.833 1.00 17.95 C +ATOM 1560 CG ASN B 83 7.842 21.363 13.129 1.00 20.72 C +ATOM 1561 OD1 ASN B 83 8.334 22.469 12.907 1.00 25.28 O +ATOM 1562 ND2 ASN B 83 8.445 20.215 12.784 1.00 23.02 N +ATOM 1563 N GLY B 84 4.941 22.650 16.371 1.00 15.83 N +ATOM 1564 CA GLY B 84 3.553 22.770 16.814 1.00 16.76 C +ATOM 1565 C GLY B 84 3.124 24.127 17.244 1.00 16.73 C +ATOM 1566 O GLY B 84 3.829 25.106 17.044 1.00 16.71 O +ATOM 1567 N ILE B 85 1.965 24.160 17.889 1.00 15.83 N +ATOM 1568 CA ILE B 85 1.264 25.389 18.241 1.00 16.43 C +ATOM 1569 C ILE B 85 0.575 25.176 19.598 1.00 16.69 C +ATOM 1570 O ILE B 85 0.440 24.033 20.080 1.00 16.08 O +ATOM 1571 CB ILE B 85 0.220 25.765 17.159 1.00 15.71 C +ATOM 1572 CG1 ILE B 85 -0.823 24.655 16.926 1.00 15.42 C +ATOM 1573 CG2 ILE B 85 0.882 26.070 15.819 1.00 15.60 C +ATOM 1574 CD1 ILE B 85 -2.009 25.104 16.032 1.00 16.71 C +ATOM 1575 N GLY B 86 0.100 26.252 20.201 1.00 15.00 N +ATOM 1576 CA GLY B 86 -0.573 26.187 21.492 1.00 15.44 C +ATOM 1577 C GLY B 86 -0.592 27.550 22.119 1.00 15.76 C +ATOM 1578 O GLY B 86 -0.252 28.506 21.460 1.00 16.95 O +ATOM 1579 N ALA B 87 -1.001 27.618 23.376 1.00 14.27 N +ATOM 1580 CA ALA B 87 -1.113 28.857 24.108 1.00 14.27 C +ATOM 1581 C ALA B 87 -0.392 28.699 25.422 1.00 15.07 C +ATOM 1582 O ALA B 87 -0.380 27.609 26.021 1.00 14.69 O +ATOM 1583 CB ALA B 87 -2.593 29.206 24.361 1.00 16.71 C +ATOM 1584 N ILE B 88 0.231 29.799 25.860 1.00 14.36 N +ATOM 1585 CA ILE B 88 1.092 29.824 27.024 1.00 13.46 C +ATOM 1586 C ILE B 88 0.864 31.035 27.898 1.00 14.66 C +ATOM 1587 O ILE B 88 0.288 32.028 27.440 1.00 15.43 O +ATOM 1588 CB ILE B 88 2.589 29.758 26.656 1.00 14.68 C +ATOM 1589 CG1 ILE B 88 2.985 30.952 25.761 1.00 15.26 C +ATOM 1590 CG2 ILE B 88 2.903 28.436 25.969 1.00 14.60 C +ATOM 1591 CD1 ILE B 88 4.472 31.005 25.407 1.00 14.18 C +ATOM 1592 N GLY B 89 1.302 30.941 29.166 1.00 14.80 N +ATOM 1593 CA GLY B 89 1.213 32.041 30.137 1.00 14.46 C +ATOM 1594 C GLY B 89 2.538 32.574 30.663 1.00 15.69 C +ATOM 1595 O GLY B 89 2.564 33.528 31.443 1.00 14.64 O +ATOM 1596 N GLU B 90 3.630 31.949 30.221 1.00 14.08 N +ATOM 1597 CA GLU B 90 4.998 32.303 30.607 1.00 14.89 C +ATOM 1598 C GLU B 90 5.920 31.780 29.509 1.00 15.13 C +ATOM 1599 O GLU B 90 5.688 30.695 28.971 1.00 14.67 O +ATOM 1600 CB GLU B 90 5.362 31.693 31.963 1.00 16.33 C +ATOM 1601 CG GLU B 90 6.665 32.215 32.585 1.00 15.61 C +ATOM 1602 CD GLU B 90 7.104 31.350 33.729 1.00 18.84 C +ATOM 1603 OE1 GLU B 90 6.505 31.504 34.804 1.00 20.98 O +ATOM 1604 OE2 GLU B 90 8.019 30.511 33.562 1.00 17.45 O +ATOM 1605 N LEU B 91 6.949 32.559 29.182 1.00 13.79 N +ATOM 1606 CA LEU B 91 7.903 32.233 28.142 1.00 14.82 C +ATOM 1607 C LEU B 91 9.253 32.754 28.543 1.00 13.61 C +ATOM 1608 O LEU B 91 9.382 33.917 28.937 1.00 14.22 O +ATOM 1609 CB LEU B 91 7.522 32.937 26.851 1.00 15.77 C +ATOM 1610 CG LEU B 91 8.465 32.760 25.652 1.00 15.42 C +ATOM 1611 CD1 LEU B 91 8.475 31.329 25.162 1.00 16.93 C +ATOM 1612 CD2 LEU B 91 8.058 33.742 24.523 1.00 15.80 C +ATOM 1613 N THR B 92 10.284 31.920 28.430 1.00 14.75 N +ATOM 1614 CA THR B 92 11.674 32.351 28.614 1.00 13.84 C +ATOM 1615 C THR B 92 12.437 32.114 27.316 1.00 15.22 C +ATOM 1616 O THR B 92 12.477 30.991 26.799 1.00 14.54 O +ATOM 1617 CB THR B 92 12.332 31.627 29.766 1.00 16.22 C +ATOM 1618 OG1 THR B 92 11.522 31.841 30.941 1.00 16.96 O +ATOM 1619 CG2 THR B 92 13.716 32.214 30.003 1.00 14.97 C +ATOM 1620 N LEU B 93 12.986 33.205 26.784 1.00 15.99 N +ATOM 1621 CA LEU B 93 13.783 33.202 25.552 1.00 16.31 C +ATOM 1622 C LEU B 93 15.218 33.529 25.890 1.00 17.86 C +ATOM 1623 O LEU B 93 15.469 34.245 26.845 1.00 17.11 O +ATOM 1624 CB LEU B 93 13.275 34.279 24.585 1.00 16.50 C +ATOM 1625 CG LEU B 93 11.847 34.147 24.019 1.00 17.18 C +ATOM 1626 CD1 LEU B 93 11.393 35.326 23.104 1.00 15.61 C +ATOM 1627 CD2 LEU B 93 11.694 32.749 23.303 1.00 17.67 C +ATOM 1628 N ARG B 94 16.155 33.019 25.083 1.00 19.25 N +ATOM 1629 CA ARG B 94 17.572 33.300 25.251 1.00 21.20 C +ATOM 1630 C ARG B 94 18.107 33.961 23.994 1.00 20.70 C +ATOM 1631 O ARG B 94 17.712 33.611 22.915 1.00 23.25 O +ATOM 1632 CB ARG B 94 18.388 32.025 25.537 1.00 21.35 C +ATOM 1633 CG ARG B 94 19.932 32.272 25.611 1.00 25.38 C +ATOM 1634 CD ARG B 94 20.685 31.072 26.155 1.00 28.87 C +ATOM 1635 NE ARG B 94 20.485 30.971 27.595 1.00 33.06 N +ATOM 1636 CZ ARG B 94 20.602 29.860 28.322 1.00 31.47 C +ATOM 1637 NH1 ARG B 94 20.898 28.678 27.792 1.00 34.74 N +ATOM 1638 NH2 ARG B 94 20.402 29.948 29.614 1.00 27.76 N +ATOM 1639 N PHE B 95 18.963 34.954 24.191 1.00 21.39 N +ATOM 1640 CA PHE B 95 19.658 35.592 23.089 1.00 22.37 C +ATOM 1641 C PHE B 95 21.154 35.472 23.339 1.00 17.54 C +ATOM 1642 O PHE B 95 21.692 36.057 24.291 1.00 25.48 O +ATOM 1643 CB PHE B 95 19.244 37.039 22.889 1.00 21.03 C +ATOM 1644 CG PHE B 95 19.691 37.597 21.570 1.00 18.67 C +ATOM 1645 CD1 PHE B 95 18.930 37.417 20.423 1.00 17.91 C +ATOM 1646 CD2 PHE B 95 20.900 38.271 21.477 1.00 17.29 C +ATOM 1647 CE1 PHE B 95 19.343 37.935 19.237 1.00 18.75 C +ATOM 1648 CE2 PHE B 95 21.330 38.790 20.268 1.00 18.68 C +ATOM 1649 CZ PHE B 95 20.540 38.615 19.152 1.00 19.37 C +ATOM 1650 N PHE B 96 21.782 34.735 22.442 1.00 25.12 N +ATOM 1651 CA PHE B 96 23.201 34.427 22.500 1.00 25.95 C +ATOM 1652 C PHE B 96 23.956 35.453 21.712 1.00 23.41 C +ATOM 1653 O PHE B 96 23.677 35.653 20.513 1.00 21.87 O +ATOM 1654 CB PHE B 96 23.450 33.058 21.889 1.00 26.85 C +ATOM 1655 CG PHE B 96 24.872 32.584 21.996 1.00 27.44 C +ATOM 1656 CD1 PHE B 96 25.380 32.152 23.211 1.00 34.79 C +ATOM 1657 CD2 PHE B 96 25.689 32.553 20.882 1.00 23.05 C +ATOM 1658 CE1 PHE B 96 26.688 31.698 23.306 1.00 32.77 C +ATOM 1659 CE2 PHE B 96 26.993 32.093 20.971 1.00 25.34 C +ATOM 1660 CZ PHE B 96 27.487 31.668 22.186 1.00 30.08 C +ATOM 1661 N ASN B 97 24.872 36.112 22.408 1.00 27.17 N +ATOM 1662 CA ASN B 97 25.792 37.078 21.858 1.00 30.70 C +ATOM 1663 C ASN B 97 27.082 36.328 21.476 1.00 30.10 C +ATOM 1664 O ASN B 97 27.785 35.822 22.353 1.00 29.62 O +ATOM 1665 CB ASN B 97 26.066 38.166 22.907 1.00 35.45 C +ATOM 1666 CG ASN B 97 26.955 39.284 22.393 1.00 42.53 C +ATOM 1667 OD1 ASN B 97 27.563 39.197 21.317 1.00 58.66 O +ATOM 1668 ND2 ASN B 97 27.041 40.359 23.178 1.00 56.37 N +ATOM 1669 N PRO B 98 27.383 36.207 20.173 1.00 29.88 N +ATOM 1670 CA PRO B 98 28.613 35.517 19.790 1.00 33.47 C +ATOM 1671 C PRO B 98 29.912 36.227 20.212 1.00 36.45 C +ATOM 1672 O PRO B 98 30.953 35.584 20.220 1.00 38.23 O +ATOM 1673 CB PRO B 98 28.528 35.460 18.262 1.00 33.69 C +ATOM 1674 CG PRO B 98 27.111 35.726 17.947 1.00 33.27 C +ATOM 1675 CD PRO B 98 26.620 36.631 18.990 1.00 29.78 C +ATOM 1676 N LYS B 99 29.844 37.521 20.524 1.00 38.34 N +ATOM 1677 CA LYS B 99 30.982 38.271 21.080 1.00 38.77 C +ATOM 1678 C LYS B 99 30.757 38.517 22.576 1.00 39.58 C +ATOM 1679 O LYS B 99 31.150 37.703 23.424 1.00 39.92 O +ATOM 1680 CB LYS B 99 31.144 39.594 20.343 1.00 39.44 C +ATOM 1681 N ASP B 104 21.772 36.406 27.090 1.00 31.31 N +ATOM 1682 CA ASP B 104 20.797 37.066 27.910 1.00 29.76 C +ATOM 1683 C ASP B 104 19.476 36.323 27.759 1.00 25.72 C +ATOM 1684 O ASP B 104 19.052 36.026 26.643 1.00 26.43 O +ATOM 1685 CB ASP B 104 20.614 38.524 27.488 1.00 31.90 C +ATOM 1686 N ASP B 105 18.849 36.066 28.899 1.00 24.38 N +ATOM 1687 CA ASP B 105 17.542 35.445 28.978 1.00 23.32 C +ATOM 1688 C ASP B 105 16.534 36.484 29.387 1.00 23.18 C +ATOM 1689 O ASP B 105 16.860 37.438 30.097 1.00 24.27 O +ATOM 1690 CB ASP B 105 17.546 34.334 30.008 1.00 22.40 C +ATOM 1691 CG ASP B 105 18.486 33.192 29.648 1.00 23.15 C +ATOM 1692 OD1 ASP B 105 18.741 32.343 30.524 1.00 26.51 O +ATOM 1693 OD2 ASP B 105 18.915 33.119 28.488 1.00 27.57 O +ATOM 1694 N LYS B 106 15.307 36.324 28.915 1.00 18.65 N +ATOM 1695 CA LYS B 106 14.222 37.174 29.337 1.00 17.07 C +ATOM 1696 C LYS B 106 12.968 36.344 29.456 1.00 16.24 C +ATOM 1697 O LYS B 106 12.665 35.540 28.561 1.00 15.48 O +ATOM 1698 CB LYS B 106 13.968 38.324 28.354 1.00 18.94 C +ATOM 1699 CG LYS B 106 12.851 39.241 28.809 1.00 19.23 C +ATOM 1700 CD LYS B 106 12.832 40.567 28.060 1.00 21.72 C +ATOM 1701 CE LYS B 106 11.637 41.415 28.470 1.00 26.45 C +ATOM 1702 NZ LYS B 106 11.626 42.699 27.727 1.00 30.95 N +ATOM 1703 N THR B 107 12.223 36.595 30.529 1.00 16.58 N +ATOM 1704 CA THR B 107 10.978 35.921 30.774 1.00 14.68 C +ATOM 1705 C THR B 107 9.810 36.893 30.609 1.00 16.93 C +ATOM 1706 O THR B 107 9.813 37.989 31.184 1.00 19.25 O +ATOM 1707 CB THR B 107 10.972 35.242 32.166 1.00 16.39 C +ATOM 1708 OG1 THR B 107 12.031 34.279 32.229 1.00 17.84 O +ATOM 1709 CG2 THR B 107 9.650 34.511 32.440 1.00 16.76 C +ATOM 1710 N PHE B 108 8.840 36.469 29.814 1.00 14.79 N +ATOM 1711 CA PHE B 108 7.593 37.185 29.560 1.00 14.75 C +ATOM 1712 C PHE B 108 6.498 36.453 30.343 1.00 15.88 C +ATOM 1713 O PHE B 108 6.414 35.229 30.314 1.00 16.11 O +ATOM 1714 CB PHE B 108 7.280 37.202 28.071 1.00 16.26 C +ATOM 1715 CG PHE B 108 8.297 37.936 27.282 1.00 16.40 C +ATOM 1716 CD1 PHE B 108 9.433 37.294 26.828 1.00 16.14 C +ATOM 1717 CD2 PHE B 108 8.137 39.294 27.027 1.00 15.95 C +ATOM 1718 CE1 PHE B 108 10.387 38.013 26.103 1.00 18.54 C +ATOM 1719 CE2 PHE B 108 9.082 39.996 26.293 1.00 17.62 C +ATOM 1720 CZ PHE B 108 10.206 39.357 25.857 1.00 17.40 C +ATOM 1721 N AARG B 109 5.660 37.239 31.019 0.50 17.53 N +ATOM 1722 N BARG B 109 5.685 37.209 31.076 0.50 17.47 N +ATOM 1723 CA AARG B 109 4.696 36.749 31.996 0.50 17.22 C +ATOM 1724 CA BARG B 109 4.660 36.640 31.954 0.50 16.91 C +ATOM 1725 C AARG B 109 3.313 37.320 31.633 0.50 16.97 C +ATOM 1726 C BARG B 109 3.332 37.300 31.618 0.50 17.03 C +ATOM 1727 O AARG B 109 2.880 38.342 32.169 0.50 17.33 O +ATOM 1728 O BARG B 109 2.971 38.356 32.138 0.50 17.53 O +ATOM 1729 CB AARG B 109 5.195 37.176 33.393 0.50 18.71 C +ATOM 1730 CB BARG B 109 5.067 36.848 33.402 0.50 18.76 C +ATOM 1731 CG AARG B 109 6.732 36.898 33.628 0.50 17.50 C +ATOM 1732 CG BARG B 109 6.417 36.193 33.721 0.50 17.62 C +ATOM 1733 CD AARG B 109 7.242 37.215 35.036 0.50 19.53 C +ATOM 1734 CD BARG B 109 6.831 36.387 35.154 0.50 18.64 C +ATOM 1735 NE AARG B 109 8.543 36.602 35.385 0.50 20.47 N +ATOM 1736 NE BARG B 109 8.244 36.087 35.414 0.50 25.23 N +ATOM 1737 CZ AARG B 109 8.734 35.311 35.676 0.50 18.01 C +ATOM 1738 CZ BARG B 109 9.262 36.952 35.336 0.50 23.37 C +ATOM 1739 NH1AARG B 109 7.733 34.460 35.617 0.50 19.06 N +ATOM 1740 NH1BARG B 109 9.089 38.230 34.979 0.50 30.68 N +ATOM 1741 NH2AARG B 109 9.934 34.846 35.985 0.50 24.92 N +ATOM 1742 NH2BARG B 109 10.490 36.528 35.603 0.50 23.04 N +ATOM 1743 N GLU B 110 2.637 36.651 30.690 1.00 17.25 N +ATOM 1744 CA GLU B 110 1.422 37.157 30.086 1.00 16.58 C +ATOM 1745 C GLU B 110 0.863 36.079 29.183 1.00 14.81 C +ATOM 1746 O GLU B 110 1.545 35.113 28.873 1.00 16.17 O +ATOM 1747 CB GLU B 110 1.747 38.384 29.234 1.00 17.31 C +ATOM 1748 CG GLU B 110 2.756 38.092 28.113 1.00 16.35 C +ATOM 1749 CD GLU B 110 3.249 39.353 27.445 1.00 19.99 C +ATOM 1750 OE1 GLU B 110 4.143 39.990 28.030 1.00 19.89 O +ATOM 1751 OE2 GLU B 110 2.717 39.702 26.367 1.00 18.81 O +ATOM 1752 N GLN B 111 -0.365 36.234 28.741 1.00 16.35 N +ATOM 1753 CA GLN B 111 -0.937 35.244 27.859 1.00 14.59 C +ATOM 1754 C GLN B 111 -0.384 35.445 26.443 1.00 15.39 C +ATOM 1755 O GLN B 111 -0.355 36.564 25.938 1.00 14.41 O +ATOM 1756 CB GLN B 111 -2.471 35.359 27.845 1.00 14.15 C +ATOM 1757 CG GLN B 111 -3.193 34.277 27.070 1.00 15.64 C +ATOM 1758 CD GLN B 111 -3.068 32.920 27.686 1.00 16.78 C +ATOM 1759 OE1 GLN B 111 -2.683 32.786 28.857 1.00 16.38 O +ATOM 1760 NE2 GLN B 111 -3.378 31.891 26.895 1.00 17.23 N +HETATM 1761 N MSE B 112 0.071 34.357 25.821 1.00 12.96 N +HETATM 1762 CA MSE B 112 0.612 34.392 24.456 1.00 13.21 C +HETATM 1763 C MSE B 112 0.153 33.166 23.671 1.00 14.27 C +HETATM 1764 O MSE B 112 -0.101 32.100 24.242 1.00 15.68 O +HETATM 1765 CB MSE B 112 2.133 34.413 24.460 1.00 14.62 C +HETATM 1766 CG MSE B 112 2.686 35.616 25.134 1.00 14.69 C +HETATM 1767 SE MSE B 112 4.581 35.525 25.652 0.75 13.45 SE +HETATM 1768 CE MSE B 112 4.357 34.498 27.327 1.00 15.62 C +ATOM 1769 N GLU B 113 0.055 33.353 22.364 1.00 15.59 N +ATOM 1770 CA GLU B 113 -0.191 32.235 21.457 1.00 15.25 C +ATOM 1771 C GLU B 113 1.101 31.817 20.791 1.00 14.44 C +ATOM 1772 O GLU B 113 1.827 32.672 20.244 1.00 16.47 O +ATOM 1773 CB GLU B 113 -1.213 32.598 20.385 1.00 16.36 C +ATOM 1774 CG GLU B 113 -2.636 32.735 20.939 1.00 20.16 C +ATOM 1775 CD GLU B 113 -3.271 31.409 21.360 1.00 20.21 C +ATOM 1776 OE1 GLU B 113 -2.684 30.317 21.153 1.00 18.91 O +ATOM 1777 OE2 GLU B 113 -4.385 31.460 21.963 1.00 22.44 O +ATOM 1778 N ILE B 114 1.408 30.534 20.799 1.00 14.91 N +ATOM 1779 CA ILE B 114 2.579 30.043 20.098 1.00 13.56 C +ATOM 1780 C ILE B 114 2.193 29.932 18.629 1.00 13.64 C +ATOM 1781 O ILE B 114 1.410 29.052 18.257 1.00 15.20 O +ATOM 1782 CB ILE B 114 3.017 28.662 20.560 1.00 13.55 C +ATOM 1783 CG1 ILE B 114 3.390 28.665 22.049 1.00 17.32 C +ATOM 1784 CG2 ILE B 114 4.210 28.180 19.698 1.00 16.41 C +ATOM 1785 CD1 ILE B 114 3.662 27.225 22.616 1.00 16.88 C +ATOM 1786 N SER B 115 2.686 30.828 17.787 1.00 13.97 N +ATOM 1787 CA SER B 115 2.352 30.745 16.373 1.00 13.89 C +ATOM 1788 C SER B 115 3.151 29.667 15.664 1.00 14.97 C +ATOM 1789 O SER B 115 2.686 29.077 14.694 1.00 15.11 O +ATOM 1790 CB SER B 115 2.516 32.109 15.675 1.00 16.39 C +ATOM 1791 OG SER B 115 3.852 32.568 15.657 1.00 15.96 O +ATOM 1792 N ASN B 116 4.346 29.395 16.149 1.00 13.47 N +ATOM 1793 CA ASN B 116 5.138 28.313 15.684 1.00 15.09 C +ATOM 1794 C ASN B 116 6.203 27.962 16.705 1.00 15.25 C +ATOM 1795 O ASN B 116 6.887 28.843 17.225 1.00 15.45 O +ATOM 1796 CB ASN B 116 5.796 28.669 14.364 1.00 16.05 C +ATOM 1797 CG ASN B 116 6.656 27.590 13.863 1.00 22.30 C +ATOM 1798 OD1 ASN B 116 6.193 26.713 13.117 1.00 29.40 O +ATOM 1799 ND2 ASN B 116 7.929 27.613 14.243 1.00 20.64 N +ATOM 1800 N LEU B 117 6.381 26.670 16.931 1.00 16.58 N +ATOM 1801 CA LEU B 117 7.506 26.131 17.697 1.00 16.74 C +ATOM 1802 C LEU B 117 8.168 25.193 16.753 1.00 17.83 C +ATOM 1803 O LEU B 117 7.491 24.311 16.218 1.00 19.02 O +ATOM 1804 CB LEU B 117 7.056 25.422 18.972 1.00 16.48 C +ATOM 1805 CG LEU B 117 8.165 24.834 19.874 1.00 20.36 C +ATOM 1806 CD1 LEU B 117 7.701 24.760 21.344 1.00 21.35 C +ATOM 1807 CD2 LEU B 117 8.629 23.478 19.338 1.00 24.81 C +ATOM 1808 N ATHR B 118 9.458 25.430 16.443 0.50 15.80 N +ATOM 1809 N BTHR B 118 9.460 25.348 16.532 0.50 19.22 N +ATOM 1810 CA ATHR B 118 10.259 24.660 15.457 0.50 14.32 C +ATOM 1811 CA BTHR B 118 10.116 24.437 15.631 0.50 19.57 C +ATOM 1812 C ATHR B 118 11.519 24.143 16.153 0.50 15.29 C +ATOM 1813 C BTHR B 118 11.510 24.129 16.128 0.50 18.25 C +ATOM 1814 O ATHR B 118 12.205 24.917 16.799 0.50 14.59 O +ATOM 1815 O BTHR B 118 12.255 24.997 16.586 0.50 17.69 O +ATOM 1816 CB ATHR B 118 10.730 25.551 14.274 0.50 13.58 C +ATOM 1817 CB BTHR B 118 10.102 24.935 14.190 0.50 22.21 C +ATOM 1818 OG1ATHR B 118 9.623 26.241 13.696 0.50 15.93 O +ATOM 1819 OG1BTHR B 118 10.430 23.829 13.337 0.50 21.25 O +ATOM 1820 CG2ATHR B 118 11.452 24.724 13.166 0.50 13.21 C +ATOM 1821 CG2BTHR B 118 11.062 26.093 13.972 0.50 20.82 C +ATOM 1822 N GLY B 119 11.836 22.866 16.036 1.00 15.76 N +ATOM 1823 CA GLY B 119 13.068 22.411 16.558 1.00 18.13 C +ATOM 1824 C GLY B 119 13.433 21.029 16.129 1.00 15.25 C +ATOM 1825 O GLY B 119 12.762 20.397 15.311 1.00 15.74 O +ATOM 1826 N ASN B 120 14.534 20.588 16.688 1.00 15.80 N +ATOM 1827 CA ASN B 120 15.028 19.287 16.345 1.00 15.58 C +ATOM 1828 C ASN B 120 15.498 18.542 17.562 1.00 15.84 C +ATOM 1829 O ASN B 120 15.664 19.083 18.652 1.00 16.19 O +ATOM 1830 CB ASN B 120 16.121 19.413 15.286 1.00 15.04 C +ATOM 1831 CG ASN B 120 17.223 20.351 15.679 1.00 15.75 C +ATOM 1832 OD1 ASN B 120 17.864 20.170 16.711 1.00 16.13 O +ATOM 1833 ND2 ASN B 120 17.480 21.362 14.838 1.00 16.18 N +ATOM 1834 N ILE B 121 15.673 17.234 17.363 1.00 13.87 N +ATOM 1835 CA ILE B 121 16.077 16.285 18.394 1.00 14.10 C +ATOM 1836 C ILE B 121 17.353 15.605 17.905 1.00 14.66 C +ATOM 1837 O ILE B 121 17.442 15.218 16.736 1.00 15.44 O +ATOM 1838 CB ILE B 121 15.015 15.188 18.591 1.00 14.04 C +ATOM 1839 CG1 ILE B 121 13.638 15.801 18.866 1.00 15.77 C +ATOM 1840 CG2 ILE B 121 15.422 14.195 19.727 1.00 13.87 C +ATOM 1841 CD1 ILE B 121 12.501 14.816 18.555 1.00 15.78 C +ATOM 1842 N SER B 122 18.304 15.432 18.814 1.00 14.67 N +ATOM 1843 CA SER B 122 19.578 14.753 18.568 1.00 14.96 C +ATOM 1844 C SER B 122 20.055 14.231 19.921 1.00 13.54 C +ATOM 1845 O SER B 122 19.260 14.107 20.843 1.00 16.24 O +ATOM 1846 CB SER B 122 20.556 15.703 17.903 1.00 14.92 C +ATOM 1847 OG SER B 122 20.739 16.885 18.676 1.00 16.31 O +ATOM 1848 N SER B 123 21.327 13.879 20.050 1.00 15.30 N +ATOM 1849 CA SER B 123 21.842 13.424 21.330 1.00 14.26 C +ATOM 1850 C SER B 123 23.256 13.882 21.511 1.00 15.00 C +ATOM 1851 O SER B 123 23.950 14.199 20.528 1.00 17.21 O +ATOM 1852 CB SER B 123 21.781 11.897 21.438 1.00 17.62 C +ATOM 1853 OG SER B 123 22.630 11.313 20.445 1.00 18.85 O +HETATM 1854 N MSE B 124 23.681 13.945 22.759 1.00 15.75 N +HETATM 1855 CA MSE B 124 25.108 14.097 23.074 1.00 17.02 C +HETATM 1856 C MSE B 124 25.389 13.108 24.190 1.00 16.77 C +HETATM 1857 O MSE B 124 24.733 13.145 25.222 1.00 17.19 O +HETATM 1858 CB MSE B 124 25.448 15.510 23.534 1.00 19.63 C +HETATM 1859 CG MSE B 124 25.211 16.538 22.481 1.00 16.21 C +HETATM 1860 SE MSE B 124 25.857 18.317 22.991 0.75 18.08 SE +HETATM 1861 CE MSE B 124 27.728 18.024 22.774 1.00 20.40 C +ATOM 1862 N ASN B 125 26.351 12.202 23.995 1.00 18.15 N +ATOM 1863 CA ASN B 125 26.645 11.171 24.987 1.00 19.40 C +ATOM 1864 C ASN B 125 25.380 10.368 25.350 1.00 18.60 C +ATOM 1865 O ASN B 125 25.134 10.045 26.525 1.00 18.94 O +ATOM 1866 CB ASN B 125 27.282 11.782 26.236 1.00 21.70 C +ATOM 1867 CG ASN B 125 28.400 12.748 25.909 1.00 31.05 C +ATOM 1868 OD1 ASN B 125 28.301 13.947 26.209 1.00 45.15 O +ATOM 1869 ND2 ASN B 125 29.449 12.249 25.250 1.00 34.64 N +ATOM 1870 N GLU B 126 24.607 10.063 24.313 1.00 17.12 N +ATOM 1871 CA GLU B 126 23.328 9.330 24.383 1.00 17.94 C +ATOM 1872 C GLU B 126 22.164 10.051 25.053 1.00 19.48 C +ATOM 1873 O GLU B 126 21.057 9.488 25.129 1.00 19.24 O +ATOM 1874 CB GLU B 126 23.493 7.965 25.055 1.00 19.66 C +ATOM 1875 CG GLU B 126 24.518 7.058 24.423 1.00 20.10 C +ATOM 1876 CD GLU B 126 24.600 5.735 25.127 1.00 18.97 C +ATOM 1877 OE1 GLU B 126 23.585 5.002 25.144 1.00 16.09 O +ATOM 1878 OE2 GLU B 126 25.664 5.411 25.684 1.00 19.06 O +ATOM 1879 N GLN B 127 22.377 11.278 25.511 1.00 17.20 N +ATOM 1880 CA GLN B 127 21.347 12.036 26.199 1.00 16.26 C +ATOM 1881 C GLN B 127 20.579 12.872 25.211 1.00 14.90 C +ATOM 1882 O GLN B 127 21.173 13.549 24.400 1.00 15.83 O +ATOM 1883 CB GLN B 127 21.972 12.911 27.264 1.00 18.20 C +ATOM 1884 CG GLN B 127 22.730 12.059 28.266 1.00 21.61 C +ATOM 1885 CD GLN B 127 23.162 12.825 29.442 1.00 32.10 C +ATOM 1886 OE1 GLN B 127 23.768 13.873 29.309 1.00 32.48 O +ATOM 1887 NE2 GLN B 127 22.881 12.301 30.622 1.00 39.00 N +ATOM 1888 N VAL B 128 19.253 12.816 25.317 1.00 15.21 N +ATOM 1889 CA VAL B 128 18.379 13.595 24.463 1.00 16.39 C +ATOM 1890 C VAL B 128 18.806 15.064 24.455 1.00 14.96 C +ATOM 1891 O VAL B 128 19.095 15.636 25.519 1.00 18.43 O +ATOM 1892 CB VAL B 128 16.893 13.492 24.944 1.00 15.99 C +ATOM 1893 CG1 VAL B 128 16.035 14.561 24.270 1.00 23.80 C +ATOM 1894 CG2 VAL B 128 16.364 12.122 24.681 1.00 19.64 C +ATOM 1895 N TYR B 129 18.879 15.646 23.256 1.00 14.93 N +ATOM 1896 CA TYR B 129 19.247 17.050 23.077 1.00 15.54 C +ATOM 1897 C TYR B 129 18.216 17.704 22.207 1.00 16.32 C +ATOM 1898 O TYR B 129 18.090 17.347 21.059 1.00 16.47 O +ATOM 1899 CB TYR B 129 20.647 17.172 22.469 1.00 16.61 C +ATOM 1900 CG TYR B 129 21.215 18.571 22.468 1.00 16.72 C +ATOM 1901 CD1 TYR B 129 20.832 19.510 21.523 1.00 20.07 C +ATOM 1902 CD2 TYR B 129 22.149 18.946 23.415 1.00 20.25 C +ATOM 1903 CE1 TYR B 129 21.377 20.785 21.533 1.00 20.02 C +ATOM 1904 CE2 TYR B 129 22.685 20.209 23.439 1.00 22.48 C +ATOM 1905 CZ TYR B 129 22.304 21.128 22.487 1.00 21.82 C +ATOM 1906 OH TYR B 129 22.859 22.400 22.496 1.00 21.61 O +ATOM 1907 N ALEU B 130 17.442 18.640 22.765 0.60 17.28 N +ATOM 1908 N BLEU B 130 17.495 18.665 22.783 0.40 15.48 N +ATOM 1909 CA ALEU B 130 16.388 19.333 22.015 0.60 16.91 C +ATOM 1910 CA BLEU B 130 16.525 19.429 22.038 0.40 14.15 C +ATOM 1911 C ALEU B 130 16.821 20.775 21.769 0.60 17.12 C +ATOM 1912 C BLEU B 130 17.114 20.774 21.715 0.40 14.41 C +ATOM 1913 O ALEU B 130 17.128 21.480 22.716 0.60 20.32 O +ATOM 1914 O BLEU B 130 17.858 21.385 22.497 0.40 12.74 O +ATOM 1915 CB ALEU B 130 15.042 19.293 22.770 0.60 18.19 C +ATOM 1916 CB BLEU B 130 15.228 19.621 22.821 0.40 15.30 C +ATOM 1917 CG ALEU B 130 14.077 18.123 22.498 0.60 18.93 C +ATOM 1918 CG BLEU B 130 14.509 18.342 23.233 0.40 12.59 C +ATOM 1919 CD1ALEU B 130 14.690 16.795 22.820 0.60 21.39 C +ATOM 1920 CD1BLEU B 130 13.171 18.690 23.833 0.40 16.53 C +ATOM 1921 CD2ALEU B 130 12.765 18.293 23.273 0.60 18.40 C +ATOM 1922 CD2BLEU B 130 14.349 17.400 22.051 0.40 12.62 C +ATOM 1923 N HIS B 131 16.837 21.195 20.499 1.00 15.67 N +ATOM 1924 CA HIS B 131 17.130 22.554 20.100 1.00 16.11 C +ATOM 1925 C HIS B 131 15.822 23.134 19.557 1.00 15.33 C +ATOM 1926 O HIS B 131 15.372 22.718 18.498 1.00 15.12 O +ATOM 1927 CB HIS B 131 18.233 22.579 19.053 1.00 16.22 C +ATOM 1928 CG HIS B 131 18.696 23.952 18.703 1.00 17.21 C +ATOM 1929 ND1 HIS B 131 19.432 24.211 17.573 1.00 18.32 N +ATOM 1930 CD2 HIS B 131 18.529 25.143 19.328 1.00 20.66 C +ATOM 1931 CE1 HIS B 131 19.702 25.506 17.516 1.00 23.39 C +ATOM 1932 NE2 HIS B 131 19.157 26.092 18.564 1.00 20.61 N +ATOM 1933 N LEU B 132 15.199 24.031 20.307 1.00 15.56 N +ATOM 1934 CA LEU B 132 13.878 24.542 20.003 1.00 14.94 C +ATOM 1935 C LEU B 132 13.876 26.060 19.928 1.00 13.48 C +ATOM 1936 O LEU B 132 14.426 26.749 20.800 1.00 14.38 O +ATOM 1937 CB LEU B 132 12.910 24.131 21.110 1.00 15.07 C +ATOM 1938 CG LEU B 132 12.880 22.656 21.517 1.00 16.41 C +ATOM 1939 CD1 LEU B 132 11.989 22.477 22.758 1.00 16.40 C +ATOM 1940 CD2 LEU B 132 12.424 21.840 20.356 1.00 18.40 C +ATOM 1941 N HIS B 133 13.298 26.572 18.855 1.00 13.70 N +ATOM 1942 CA HIS B 133 13.039 28.010 18.683 1.00 15.03 C +ATOM 1943 C HIS B 133 11.525 28.191 18.646 1.00 14.87 C +ATOM 1944 O HIS B 133 10.767 27.233 18.481 1.00 14.59 O +ATOM 1945 CB HIS B 133 13.703 28.551 17.431 1.00 14.39 C +ATOM 1946 CG HIS B 133 15.186 28.700 17.521 1.00 14.82 C +ATOM 1947 ND1 HIS B 133 15.891 29.480 16.638 1.00 15.95 N +ATOM 1948 CD2 HIS B 133 16.096 28.202 18.389 1.00 14.44 C +ATOM 1949 CE1 HIS B 133 17.178 29.438 16.941 1.00 16.75 C +ATOM 1950 NE2 HIS B 133 17.332 28.689 18.014 1.00 16.11 N +ATOM 1951 N ILE B 134 11.084 29.427 18.805 1.00 13.11 N +ATOM 1952 CA ILE B 134 9.679 29.716 18.947 1.00 13.46 C +ATOM 1953 C ILE B 134 9.353 31.104 18.464 1.00 14.10 C +ATOM 1954 O ILE B 134 10.189 32.016 18.536 1.00 13.43 O +ATOM 1955 CB ILE B 134 9.258 29.534 20.431 1.00 14.06 C +ATOM 1956 CG1 ILE B 134 7.741 29.370 20.575 1.00 14.41 C +ATOM 1957 CG2 ILE B 134 9.836 30.631 21.306 1.00 14.26 C +ATOM 1958 CD1 ILE B 134 7.277 28.945 21.972 1.00 15.57 C +ATOM 1959 N THR B 135 8.128 31.250 17.986 1.00 14.56 N +ATOM 1960 CA THR B 135 7.538 32.539 17.649 1.00 12.85 C +ATOM 1961 C THR B 135 6.195 32.589 18.375 1.00 13.84 C +ATOM 1962 O THR B 135 5.423 31.646 18.313 1.00 13.18 O +ATOM 1963 CB THR B 135 7.291 32.689 16.145 1.00 13.47 C +ATOM 1964 OG1 THR B 135 8.478 32.333 15.425 1.00 15.64 O +ATOM 1965 CG2 THR B 135 6.824 34.109 15.768 1.00 13.68 C +ATOM 1966 N VAL B 136 5.941 33.663 19.108 1.00 13.63 N +ATOM 1967 CA VAL B 136 4.705 33.829 19.827 1.00 12.55 C +ATOM 1968 C VAL B 136 4.040 35.161 19.472 1.00 13.87 C +ATOM 1969 O VAL B 136 4.727 36.114 19.053 1.00 15.05 O +ATOM 1970 CB VAL B 136 4.894 33.768 21.365 1.00 14.15 C +ATOM 1971 CG1 VAL B 136 5.532 32.411 21.816 1.00 15.17 C +ATOM 1972 CG2 VAL B 136 5.702 34.931 21.877 1.00 14.82 C +ATOM 1973 N GLY B 137 2.721 35.220 19.672 1.00 14.07 N +ATOM 1974 CA GLY B 137 1.946 36.449 19.557 1.00 14.01 C +ATOM 1975 C GLY B 137 1.432 36.876 20.917 1.00 14.48 C +ATOM 1976 O GLY B 137 1.015 36.062 21.731 1.00 15.21 O +ATOM 1977 N ARG B 138 1.499 38.179 21.159 1.00 14.24 N +ATOM 1978 CA ARG B 138 1.052 38.793 22.394 1.00 13.66 C +ATOM 1979 C ARG B 138 -0.389 39.249 22.241 1.00 14.88 C +ATOM 1980 O ARG B 138 -0.994 39.120 21.162 1.00 14.66 O +ATOM 1981 CB ARG B 138 1.969 39.979 22.730 1.00 14.80 C +ATOM 1982 CG ARG B 138 3.455 39.625 22.788 1.00 15.12 C +ATOM 1983 CD ARG B 138 4.321 40.830 23.089 1.00 14.35 C +ATOM 1984 NE ARG B 138 4.435 41.031 24.511 1.00 15.17 N +ATOM 1985 CZ ARG B 138 5.326 41.841 25.054 1.00 17.15 C +ATOM 1986 NH1 ARG B 138 6.140 42.576 24.297 1.00 17.66 N +ATOM 1987 NH2 ARG B 138 5.410 41.935 26.383 1.00 18.08 N +ATOM 1988 N SER B 139 -0.972 39.806 23.313 1.00 15.02 N +ATOM 1989 CA SER B 139 -2.337 40.257 23.269 1.00 14.81 C +ATOM 1990 C SER B 139 -2.559 41.424 22.320 1.00 14.53 C +ATOM 1991 O SER B 139 -3.720 41.688 21.973 1.00 17.29 O +ATOM 1992 CB SER B 139 -2.789 40.642 24.660 1.00 16.19 C +ATOM 1993 OG SER B 139 -2.067 41.771 25.117 1.00 17.11 O +ATOM 1994 N ASP B 140 -1.491 42.122 21.922 1.00 15.54 N +ATOM 1995 CA ASP B 140 -1.577 43.155 20.879 1.00 15.07 C +ATOM 1996 C ASP B 140 -1.176 42.645 19.500 1.00 15.13 C +ATOM 1997 O ASP B 140 -1.027 43.421 18.563 1.00 15.64 O +ATOM 1998 CB ASP B 140 -0.747 44.379 21.255 1.00 15.43 C +ATOM 1999 CG ASP B 140 0.768 44.126 21.212 1.00 16.73 C +ATOM 2000 OD1 ASP B 140 1.198 42.974 21.029 1.00 15.15 O +ATOM 2001 OD2 ASP B 140 1.558 45.101 21.376 1.00 20.69 O +ATOM 2002 N TYR B 141 -1.050 41.336 19.410 1.00 14.68 N +ATOM 2003 CA TYR B 141 -0.751 40.623 18.170 1.00 14.65 C +ATOM 2004 C TYR B 141 0.677 40.786 17.688 1.00 15.45 C +ATOM 2005 O TYR B 141 1.035 40.204 16.686 1.00 15.77 O +ATOM 2006 CB TYR B 141 -1.776 40.928 17.044 1.00 16.48 C +ATOM 2007 CG TYR B 141 -3.220 40.735 17.519 1.00 14.78 C +ATOM 2008 CD1 TYR B 141 -3.814 39.466 17.507 1.00 18.28 C +ATOM 2009 CD2 TYR B 141 -3.930 41.784 17.994 1.00 17.45 C +ATOM 2010 CE1 TYR B 141 -5.089 39.304 17.970 1.00 18.43 C +ATOM 2011 CE2 TYR B 141 -5.204 41.619 18.443 1.00 19.27 C +ATOM 2012 CZ TYR B 141 -5.772 40.392 18.421 1.00 19.67 C +ATOM 2013 OH TYR B 141 -7.082 40.343 18.891 1.00 22.91 O +ATOM 2014 N SER B 142 1.496 41.579 18.373 1.00 14.87 N +ATOM 2015 CA SER B 142 2.902 41.648 18.032 1.00 13.18 C +ATOM 2016 C SER B 142 3.574 40.334 18.337 1.00 14.94 C +ATOM 2017 O SER B 142 3.119 39.582 19.209 1.00 15.48 O +ATOM 2018 CB SER B 142 3.586 42.787 18.807 1.00 13.85 C +ATOM 2019 OG SER B 142 3.656 42.512 20.198 1.00 15.60 O +ATOM 2020 N ALA B 143 4.624 40.029 17.580 1.00 14.71 N +ATOM 2021 CA ALA B 143 5.332 38.772 17.707 1.00 13.69 C +ATOM 2022 C ALA B 143 6.653 38.939 18.420 1.00 14.69 C +ATOM 2023 O ALA B 143 7.376 39.941 18.202 1.00 16.29 O +ATOM 2024 CB ALA B 143 5.547 38.132 16.306 1.00 14.68 C +ATOM 2025 N LEU B 144 6.971 37.946 19.252 1.00 14.01 N +ATOM 2026 CA LEU B 144 8.283 37.760 19.847 1.00 13.84 C +ATOM 2027 C LEU B 144 8.865 36.478 19.284 1.00 13.49 C +ATOM 2028 O LEU B 144 8.140 35.569 18.929 1.00 14.59 O +ATOM 2029 CB LEU B 144 8.218 37.670 21.367 1.00 15.56 C +ATOM 2030 CG LEU B 144 7.542 38.820 22.095 1.00 15.59 C +ATOM 2031 CD1 LEU B 144 7.268 38.450 23.568 1.00 17.11 C +ATOM 2032 CD2 LEU B 144 8.358 40.139 21.947 1.00 15.86 C +ATOM 2033 N ALA B 145 10.178 36.397 19.168 1.00 13.63 N +ATOM 2034 CA ALA B 145 10.811 35.222 18.590 1.00 14.59 C +ATOM 2035 C ALA B 145 12.190 35.014 19.145 1.00 14.78 C +ATOM 2036 O ALA B 145 12.918 35.975 19.443 1.00 14.48 O +ATOM 2037 CB ALA B 145 10.895 35.342 17.055 1.00 15.26 C +ATOM 2038 N GLY B 146 12.580 33.762 19.250 1.00 14.13 N +ATOM 2039 CA GLY B 146 13.920 33.448 19.661 1.00 15.74 C +ATOM 2040 C GLY B 146 14.157 32.022 20.028 1.00 14.10 C +ATOM 2041 O GLY B 146 13.371 31.145 19.712 1.00 14.38 O +ATOM 2042 N AHIS B 147 15.295 31.793 20.665 0.50 14.20 N +ATOM 2043 N BHIS B 147 15.269 31.792 20.709 0.50 15.33 N +ATOM 2044 CA AHIS B 147 15.654 30.485 21.188 0.50 13.97 C +ATOM 2045 CA BHIS B 147 15.641 30.454 21.166 0.50 15.89 C +ATOM 2046 C AHIS B 147 14.788 30.250 22.416 0.50 12.01 C +ATOM 2047 C BHIS B 147 14.930 30.153 22.480 0.50 15.63 C +ATOM 2048 O AHIS B 147 14.723 31.112 23.304 0.50 11.73 O +ATOM 2049 O BHIS B 147 15.151 30.830 23.490 0.50 17.39 O +ATOM 2050 CB AHIS B 147 17.140 30.490 21.515 0.50 15.84 C +ATOM 2051 CB BHIS B 147 17.163 30.365 21.235 0.50 17.08 C +ATOM 2052 CG AHIS B 147 17.682 29.186 22.006 0.50 17.02 C +ATOM 2053 CG BHIS B 147 17.703 29.283 22.114 0.50 18.53 C +ATOM 2054 ND1AHIS B 147 18.482 28.363 21.232 0.50 16.54 N +ATOM 2055 ND1BHIS B 147 17.251 27.978 22.101 0.50 19.94 N +ATOM 2056 CD2AHIS B 147 17.576 28.582 23.214 0.50 17.15 C +ATOM 2057 CD2BHIS B 147 18.751 29.306 22.967 0.50 17.13 C +ATOM 2058 CE1AHIS B 147 18.847 27.313 21.955 0.50 12.24 C +ATOM 2059 CE1BHIS B 147 17.979 27.263 22.946 0.50 20.05 C +ATOM 2060 NE2AHIS B 147 18.300 27.414 23.152 0.50 16.78 N +ATOM 2061 NE2BHIS B 147 18.888 28.051 23.486 0.50 17.52 N +ATOM 2062 N LEU B 148 14.118 29.098 22.452 1.00 15.43 N +ATOM 2063 CA LEU B 148 13.243 28.719 23.576 1.00 14.69 C +ATOM 2064 C LEU B 148 13.953 28.000 24.695 1.00 15.48 C +ATOM 2065 O LEU B 148 14.580 26.968 24.466 1.00 16.11 O +ATOM 2066 CB LEU B 148 12.133 27.808 23.074 1.00 15.45 C +ATOM 2067 CG LEU B 148 11.129 27.264 24.105 1.00 13.83 C +ATOM 2068 CD1 LEU B 148 10.317 28.388 24.726 1.00 16.90 C +ATOM 2069 CD2 LEU B 148 10.219 26.195 23.459 1.00 14.75 C +ATOM 2070 N ALEU B 149 13.924 28.559 25.893 0.60 16.24 N +ATOM 2071 N BLEU B 149 13.767 28.539 25.909 0.40 13.52 N +ATOM 2072 CA ALEU B 149 14.462 27.854 27.060 0.60 15.72 C +ATOM 2073 CA BLEU B 149 14.206 27.897 27.159 0.40 11.88 C +ATOM 2074 C ALEU B 149 13.345 27.014 27.698 0.60 16.27 C +ATOM 2075 C BLEU B 149 13.029 27.311 27.958 0.40 13.28 C +ATOM 2076 O ALEU B 149 13.517 25.858 28.070 0.60 18.65 O +ATOM 2077 O BLEU B 149 13.165 26.206 28.473 0.40 10.75 O +ATOM 2078 CB ALEU B 149 15.018 28.853 28.070 0.60 16.93 C +ATOM 2079 CB BLEU B 149 14.994 28.846 28.065 0.40 13.08 C +ATOM 2080 CG ALEU B 149 15.560 28.342 29.395 0.60 18.13 C +ATOM 2081 CG BLEU B 149 16.262 29.525 27.553 0.40 11.02 C +ATOM 2082 CD1ALEU B 149 16.636 27.278 29.161 0.60 19.94 C +ATOM 2083 CD1BLEU B 149 16.917 30.218 28.757 0.40 11.84 C +ATOM 2084 CD2ALEU B 149 16.101 29.535 30.157 0.60 19.10 C +ATOM 2085 CD2BLEU B 149 17.241 28.583 26.862 0.40 11.64 C +ATOM 2086 N ASER B 150 12.191 27.691 27.888 0.50 14.72 N +ATOM 2087 N BSER B 150 11.912 28.028 28.127 0.50 13.88 N +ATOM 2088 CA ASER B 150 10.984 27.181 28.591 0.50 15.11 C +ATOM 2089 CA BSER B 150 10.855 27.476 28.915 0.50 13.36 C +ATOM 2090 C ASER B 150 9.679 27.980 28.315 0.50 14.38 C +ATOM 2091 C BSER B 150 9.596 28.107 28.450 0.50 13.13 C +ATOM 2092 O ASER B 150 9.730 29.131 27.918 0.50 15.26 O +ATOM 2093 O BSER B 150 9.590 29.245 27.985 0.50 13.63 O +ATOM 2094 CB ASER B 150 11.217 27.168 30.109 0.50 16.64 C +ATOM 2095 CB BSER B 150 11.104 27.802 30.378 0.50 14.33 C +ATOM 2096 OG ASER B 150 11.300 28.474 30.674 0.50 18.28 O +ATOM 2097 OG BSER B 150 10.001 27.438 31.162 0.50 16.92 O +ATOM 2098 N ALA B 151 8.516 27.357 28.541 1.00 15.54 N +ATOM 2099 CA ALA B 151 7.228 27.993 28.350 1.00 15.72 C +ATOM 2100 C ALA B 151 6.191 27.196 29.098 1.00 16.26 C +ATOM 2101 O ALA B 151 6.206 25.974 29.054 1.00 16.47 O +ATOM 2102 CB ALA B 151 6.884 28.096 26.864 1.00 15.04 C +ATOM 2103 N ILE B 152 5.267 27.877 29.757 1.00 15.90 N +ATOM 2104 CA ILE B 152 4.198 27.226 30.528 1.00 14.70 C +ATOM 2105 C ILE B 152 2.895 27.276 29.764 1.00 15.07 C +ATOM 2106 O ILE B 152 2.407 28.364 29.471 1.00 15.26 O +ATOM 2107 CB ILE B 152 3.999 27.865 31.906 1.00 16.87 C +ATOM 2108 CG1 ILE B 152 5.281 27.748 32.729 1.00 16.26 C +ATOM 2109 CG2 ILE B 152 2.844 27.155 32.623 1.00 18.61 C +ATOM 2110 CD1 ILE B 152 5.514 26.347 33.262 1.00 22.22 C +ATOM 2111 N GLN B 153 2.326 26.108 29.450 1.00 14.63 N +ATOM 2112 CA GLN B 153 1.102 26.032 28.699 1.00 14.84 C +ATOM 2113 C GLN B 153 -0.061 26.596 29.503 1.00 14.21 C +ATOM 2114 O GLN B 153 -0.126 26.393 30.715 1.00 14.40 O +ATOM 2115 CB GLN B 153 0.828 24.588 28.358 1.00 15.58 C +ATOM 2116 CG GLN B 153 -0.375 24.383 27.478 1.00 14.73 C +ATOM 2117 CD GLN B 153 -0.372 22.991 26.876 1.00 16.42 C +ATOM 2118 OE1 GLN B 153 0.675 22.523 26.395 1.00 16.62 O +ATOM 2119 NE2 GLN B 153 -1.537 22.354 26.848 1.00 17.10 N +ATOM 2120 N ASN B 154 -0.937 27.336 28.826 1.00 13.95 N +ATOM 2121 CA ASN B 154 -2.184 27.882 29.374 1.00 14.53 C +ATOM 2122 C ASN B 154 -3.223 27.854 28.251 1.00 15.10 C +ATOM 2123 O ASN B 154 -3.542 28.855 27.635 1.00 16.07 O +ATOM 2124 CB ASN B 154 -2.016 29.278 29.959 1.00 15.62 C +ATOM 2125 CG ASN B 154 -3.167 29.660 30.840 1.00 16.05 C +ATOM 2126 OD1 ASN B 154 -3.669 28.844 31.603 1.00 19.73 O +ATOM 2127 ND2 ASN B 154 -3.541 30.906 30.794 1.00 18.20 N +ATOM 2128 N GLY B 155 -3.702 26.652 27.986 1.00 14.12 N +ATOM 2129 CA GLY B 155 -4.592 26.332 26.885 1.00 15.23 C +ATOM 2130 C GLY B 155 -4.171 24.997 26.309 1.00 16.30 C +ATOM 2131 O GLY B 155 -3.927 24.032 27.065 1.00 17.05 O +ATOM 2132 N ALA B 156 -4.099 24.929 24.985 1.00 17.00 N +ATOM 2133 CA ALA B 156 -3.720 23.718 24.272 1.00 15.22 C +ATOM 2134 C ALA B 156 -2.230 23.718 23.975 1.00 16.20 C +ATOM 2135 O ALA B 156 -1.537 24.740 24.045 1.00 16.52 O +ATOM 2136 CB ALA B 156 -4.502 23.591 22.953 1.00 19.86 C +ATOM 2137 N GLY B 157 -1.718 22.551 23.625 1.00 16.81 N +ATOM 2138 CA GLY B 157 -0.313 22.335 23.278 1.00 17.24 C +ATOM 2139 C GLY B 157 -0.302 21.149 22.365 1.00 16.97 C +ATOM 2140 O GLY B 157 -0.429 20.015 22.807 1.00 17.04 O +ATOM 2141 N GLU B 158 -0.159 21.426 21.080 1.00 14.77 N +ATOM 2142 CA GLU B 158 -0.371 20.451 20.014 1.00 14.88 C +ATOM 2143 C GLU B 158 0.875 20.387 19.176 1.00 14.85 C +ATOM 2144 O GLU B 158 1.154 21.295 18.392 1.00 15.65 O +ATOM 2145 CB GLU B 158 -1.581 20.893 19.187 1.00 14.99 C +ATOM 2146 CG GLU B 158 -2.860 20.878 20.028 1.00 15.85 C +ATOM 2147 CD GLU B 158 -4.082 21.469 19.378 1.00 16.55 C +ATOM 2148 OE1 GLU B 158 -4.062 21.702 18.143 1.00 18.61 O +ATOM 2149 OE2 GLU B 158 -5.082 21.671 20.115 1.00 16.75 O +ATOM 2150 N PHE B 159 1.632 19.305 19.328 1.00 16.66 N +ATOM 2151 CA PHE B 159 2.935 19.157 18.690 1.00 15.89 C +ATOM 2152 C PHE B 159 3.083 17.869 17.914 1.00 20.10 C +ATOM 2153 O PHE B 159 2.593 16.838 18.340 1.00 22.04 O +ATOM 2154 CB PHE B 159 4.052 19.261 19.751 1.00 19.09 C +ATOM 2155 CG PHE B 159 4.001 20.533 20.533 1.00 18.53 C +ATOM 2156 CD1 PHE B 159 4.555 21.683 20.022 1.00 22.67 C +ATOM 2157 CD2 PHE B 159 3.290 20.623 21.710 1.00 17.43 C +ATOM 2158 CE1 PHE B 159 4.442 22.868 20.690 1.00 21.39 C +ATOM 2159 CE2 PHE B 159 3.195 21.814 22.388 1.00 18.55 C +ATOM 2160 CZ PHE B 159 3.766 22.929 21.883 1.00 19.31 C +ATOM 2161 N VAL B 160 3.767 17.945 16.785 1.00 16.89 N +ATOM 2162 CA VAL B 160 4.069 16.788 15.969 1.00 16.46 C +ATOM 2163 C VAL B 160 5.548 16.499 16.138 1.00 16.66 C +ATOM 2164 O VAL B 160 6.369 17.376 15.928 1.00 16.18 O +ATOM 2165 CB VAL B 160 3.777 16.989 14.477 1.00 18.64 C +ATOM 2166 CG1 VAL B 160 4.080 15.697 13.726 1.00 19.82 C +ATOM 2167 CG2 VAL B 160 2.332 17.341 14.263 1.00 19.84 C +ATOM 2168 N VAL B 161 5.859 15.290 16.578 1.00 16.80 N +ATOM 2169 CA VAL B 161 7.228 14.860 16.784 1.00 17.25 C +ATOM 2170 C VAL B 161 7.500 13.780 15.753 1.00 18.90 C +ATOM 2171 O VAL B 161 6.865 12.708 15.789 1.00 22.06 O +ATOM 2172 CB VAL B 161 7.434 14.308 18.186 1.00 17.68 C +ATOM 2173 CG1 VAL B 161 8.863 13.752 18.347 1.00 22.61 C +ATOM 2174 CG2 VAL B 161 7.107 15.369 19.227 1.00 18.07 C +ATOM 2175 N GLU B 162 8.402 14.045 14.816 1.00 18.66 N +ATOM 2176 CA GLU B 162 8.805 13.046 13.835 1.00 19.69 C +ATOM 2177 C GLU B 162 10.024 12.338 14.369 1.00 16.38 C +ATOM 2178 O GLU B 162 10.962 12.986 14.768 1.00 18.57 O +ATOM 2179 CB GLU B 162 9.139 13.649 12.476 1.00 20.11 C +ATOM 2180 CG GLU B 162 9.511 12.560 11.453 1.00 23.04 C +ATOM 2181 CD GLU B 162 9.758 13.057 10.014 1.00 28.60 C +ATOM 2182 OE1 GLU B 162 9.504 14.248 9.697 1.00 33.49 O +ATOM 2183 OE2 GLU B 162 10.224 12.213 9.194 1.00 31.71 O +ATOM 2184 N ASP B 163 9.980 11.017 14.380 1.00 16.89 N +ATOM 2185 CA ASP B 163 11.081 10.162 14.826 1.00 16.75 C +ATOM 2186 C ASP B 163 11.838 9.682 13.606 1.00 16.81 C +ATOM 2187 O ASP B 163 11.261 8.977 12.769 1.00 18.28 O +ATOM 2188 CB ASP B 163 10.479 8.998 15.605 1.00 16.20 C +ATOM 2189 CG ASP B 163 11.499 8.036 16.156 1.00 17.53 C +ATOM 2190 OD1 ASP B 163 12.728 8.217 15.989 1.00 16.63 O +ATOM 2191 OD2 ASP B 163 11.035 7.033 16.764 1.00 18.46 O +ATOM 2192 N TYR B 164 13.112 10.059 13.502 1.00 15.83 N +ATOM 2193 CA TYR B 164 13.944 9.619 12.383 1.00 15.89 C +ATOM 2194 C TYR B 164 14.569 8.233 12.568 1.00 17.65 C +ATOM 2195 O TYR B 164 15.119 7.704 11.605 1.00 18.39 O +ATOM 2196 CB TYR B 164 15.098 10.587 12.141 1.00 16.41 C +ATOM 2197 CG TYR B 164 14.745 12.016 11.810 1.00 18.32 C +ATOM 2198 CD1 TYR B 164 13.547 12.370 11.203 1.00 17.69 C +ATOM 2199 CD2 TYR B 164 15.664 13.018 12.082 1.00 18.54 C +ATOM 2200 CE1 TYR B 164 13.274 13.678 10.881 1.00 16.74 C +ATOM 2201 CE2 TYR B 164 15.396 14.331 11.773 1.00 18.35 C +ATOM 2202 CZ TYR B 164 14.202 14.651 11.190 1.00 15.78 C +ATOM 2203 OH TYR B 164 13.915 15.961 10.873 1.00 20.67 O +ATOM 2204 N SER B 165 14.554 7.686 13.793 1.00 16.77 N +ATOM 2205 CA SER B 165 15.128 6.357 14.075 1.00 15.85 C +ATOM 2206 C SER B 165 16.617 6.251 13.699 1.00 17.67 C +ATOM 2207 O SER B 165 17.094 5.189 13.293 1.00 18.62 O +ATOM 2208 CB SER B 165 14.325 5.243 13.398 1.00 17.53 C +ATOM 2209 OG SER B 165 12.982 5.280 13.792 1.00 21.59 O +ATOM 2210 N GLU B 166 17.342 7.341 13.851 1.00 15.37 N +ATOM 2211 CA GLU B 166 18.761 7.434 13.520 1.00 19.37 C +ATOM 2212 C GLU B 166 19.498 8.242 14.557 1.00 16.55 C +ATOM 2213 O GLU B 166 19.064 9.322 14.950 1.00 16.97 O +ATOM 2214 CB GLU B 166 18.938 8.187 12.214 1.00 20.38 C +ATOM 2215 CG GLU B 166 18.509 7.422 11.002 1.00 29.95 C +ATOM 2216 CD GLU B 166 19.556 6.491 10.471 1.00 37.39 C +ATOM 2217 OE1 GLU B 166 20.622 6.309 11.107 1.00 45.01 O +ATOM 2218 OE2 GLU B 166 19.302 5.941 9.383 1.00 52.16 O +ATOM 2219 N ARG B 167 20.646 7.759 14.969 1.00 16.02 N +ATOM 2220 CA ARG B 167 21.519 8.502 15.841 1.00 20.01 C +ATOM 2221 C ARG B 167 22.098 9.725 15.102 1.00 21.76 C +ATOM 2222 O ARG B 167 22.606 9.607 13.964 1.00 22.32 O +ATOM 2223 CB ARG B 167 22.635 7.585 16.307 1.00 23.09 C +ATOM 2224 CG ARG B 167 23.486 8.145 17.381 1.00 27.29 C +ATOM 2225 CD ARG B 167 24.467 7.091 17.908 1.00 30.47 C +ATOM 2226 NE ARG B 167 25.657 7.801 18.348 1.00 42.42 N +ATOM 2227 CZ ARG B 167 26.609 8.249 17.534 1.00 41.05 C +ATOM 2228 NH1 ARG B 167 26.547 8.069 16.209 1.00 46.29 N +ATOM 2229 NH2 ARG B 167 27.613 8.915 18.067 1.00 39.30 N +ATOM 2230 N ILE B 168 21.997 10.898 15.735 1.00 18.85 N +ATOM 2231 CA ILE B 168 22.584 12.152 15.249 1.00 19.51 C +ATOM 2232 C ILE B 168 23.190 12.819 16.475 1.00 20.99 C +ATOM 2233 O ILE B 168 22.483 13.111 17.427 1.00 17.84 O +ATOM 2234 CB ILE B 168 21.583 13.117 14.621 1.00 19.14 C +ATOM 2235 CG1 ILE B 168 20.954 12.504 13.372 1.00 21.34 C +ATOM 2236 CG2 ILE B 168 22.304 14.436 14.245 1.00 18.95 C +ATOM 2237 CD1 ILE B 168 20.003 13.453 12.639 1.00 21.71 C +ATOM 2238 N ASER B 169 24.502 13.021 16.460 0.50 19.85 N +ATOM 2239 N BSER B 169 24.506 13.002 16.460 0.50 21.58 N +ATOM 2240 CA ASER B 169 25.211 13.603 17.582 0.50 18.96 C +ATOM 2241 CA BSER B 169 25.235 13.584 17.575 0.50 22.38 C +ATOM 2242 C ASER B 169 25.636 15.024 17.274 0.50 18.30 C +ATOM 2243 C BSER B 169 25.681 14.999 17.265 0.50 20.14 C +ATOM 2244 O ASER B 169 25.461 15.529 16.153 0.50 18.60 O +ATOM 2245 O BSER B 169 25.580 15.467 16.127 0.50 21.39 O +ATOM 2246 CB ASER B 169 26.443 12.762 17.927 0.50 18.32 C +ATOM 2247 CB BSER B 169 26.458 12.730 17.922 0.50 22.61 C +ATOM 2248 OG ASER B 169 27.041 13.148 19.160 0.50 15.65 O +ATOM 2249 OG BSER B 169 26.073 11.475 18.458 0.50 31.13 O +ATOM 2250 N ARG B 170 26.138 15.675 18.315 1.00 19.51 N +ATOM 2251 CA ARG B 170 26.708 17.014 18.233 1.00 20.77 C +ATOM 2252 C ARG B 170 28.045 17.052 18.933 1.00 20.79 C +ATOM 2253 O ARG B 170 28.347 16.202 19.771 1.00 22.02 O +ATOM 2254 CB ARG B 170 25.799 18.024 18.926 1.00 20.96 C +ATOM 2255 CG ARG B 170 24.508 18.333 18.221 1.00 22.53 C +ATOM 2256 CD ARG B 170 23.588 19.112 19.126 1.00 20.60 C +ATOM 2257 NE ARG B 170 22.291 19.334 18.489 1.00 18.82 N +ATOM 2258 CZ ARG B 170 22.025 20.316 17.641 1.00 18.46 C +ATOM 2259 NH1 ARG B 170 22.943 21.211 17.342 1.00 20.35 N +ATOM 2260 NH2 ARG B 170 20.828 20.394 17.110 1.00 19.21 N +ATOM 2261 N THR B 171 28.854 18.034 18.587 1.00 20.92 N +ATOM 2262 CA THR B 171 30.157 18.241 19.224 1.00 22.18 C +ATOM 2263 C THR B 171 30.254 19.686 19.634 1.00 21.49 C +ATOM 2264 O THR B 171 29.967 20.579 18.821 1.00 20.43 O +ATOM 2265 CB THR B 171 31.288 17.928 18.276 1.00 24.53 C +ATOM 2266 OG1 THR B 171 31.226 16.542 17.938 1.00 27.84 O +ATOM 2267 CG2 THR B 171 32.648 18.232 18.907 1.00 25.73 C +ATOM 2268 N TYR B 172 30.638 19.905 20.887 1.00 21.81 N +ATOM 2269 CA TYR B 172 30.852 21.237 21.408 1.00 20.77 C +ATOM 2270 C TYR B 172 32.006 21.886 20.663 1.00 21.97 C +ATOM 2271 O TYR B 172 33.081 21.317 20.558 1.00 23.08 O +ATOM 2272 CB TYR B 172 31.167 21.180 22.902 1.00 22.48 C +ATOM 2273 CG TYR B 172 31.395 22.534 23.513 1.00 23.54 C +ATOM 2274 CD1 TYR B 172 30.350 23.423 23.682 1.00 20.16 C +ATOM 2275 CD2 TYR B 172 32.657 22.929 23.920 1.00 23.89 C +ATOM 2276 CE1 TYR B 172 30.547 24.668 24.232 1.00 20.80 C +ATOM 2277 CE2 TYR B 172 32.861 24.178 24.472 1.00 22.94 C +ATOM 2278 CZ TYR B 172 31.805 25.028 24.632 1.00 22.62 C +ATOM 2279 OH TYR B 172 32.007 26.262 25.191 1.00 26.46 O +ATOM 2280 N ASN B 173 31.755 23.059 20.105 1.00 20.90 N +ATOM 2281 CA ASN B 173 32.779 23.838 19.445 1.00 22.51 C +ATOM 2282 C ASN B 173 33.193 24.935 20.420 1.00 23.28 C +ATOM 2283 O ASN B 173 32.438 25.864 20.664 1.00 21.54 O +ATOM 2284 CB ASN B 173 32.238 24.403 18.135 1.00 21.76 C +ATOM 2285 CG ASN B 173 33.246 25.253 17.388 1.00 28.40 C +ATOM 2286 OD1 ASN B 173 34.097 25.894 17.988 1.00 28.76 O +ATOM 2287 ND2 ASN B 173 33.130 25.281 16.062 1.00 28.57 N +ATOM 2288 N PRO B 174 34.394 24.823 21.005 1.00 25.63 N +ATOM 2289 CA PRO B 174 34.796 25.810 22.006 1.00 26.18 C +ATOM 2290 C PRO B 174 35.087 27.196 21.452 1.00 25.77 C +ATOM 2291 O PRO B 174 35.004 28.153 22.209 1.00 28.70 O +ATOM 2292 CB PRO B 174 36.051 25.184 22.621 1.00 27.33 C +ATOM 2293 CG PRO B 174 36.601 24.335 21.555 1.00 27.89 C +ATOM 2294 CD PRO B 174 35.435 23.803 20.795 1.00 26.55 C +ATOM 2295 N ASP B 175 35.389 27.319 20.162 1.00 25.02 N +ATOM 2296 CA ASP B 175 35.538 28.637 19.542 1.00 27.19 C +ATOM 2297 C ASP B 175 34.214 29.404 19.526 1.00 25.96 C +ATOM 2298 O ASP B 175 34.198 30.619 19.701 1.00 26.14 O +ATOM 2299 CB ASP B 175 36.057 28.540 18.104 1.00 29.33 C +ATOM 2300 CG ASP B 175 37.422 27.896 18.012 1.00 39.69 C +ATOM 2301 OD1 ASP B 175 38.103 27.746 19.055 1.00 45.53 O +ATOM 2302 OD2 ASP B 175 37.813 27.539 16.877 1.00 52.12 O +ATOM 2303 N LEU B 176 33.108 28.700 19.303 1.00 22.72 N +ATOM 2304 CA LEU B 176 31.793 29.330 19.285 1.00 21.19 C +ATOM 2305 C LEU B 176 31.039 29.271 20.595 1.00 19.74 C +ATOM 2306 O LEU B 176 30.166 30.103 20.820 1.00 21.02 O +ATOM 2307 CB LEU B 176 30.920 28.680 18.218 1.00 23.23 C +ATOM 2308 CG LEU B 176 31.449 28.734 16.792 1.00 24.66 C +ATOM 2309 CD1 LEU B 176 30.422 28.092 15.863 1.00 25.44 C +ATOM 2310 CD2 LEU B 176 31.759 30.160 16.364 1.00 24.28 C +ATOM 2311 N GLY B 177 31.312 28.279 21.425 1.00 20.65 N +ATOM 2312 CA GLY B 177 30.519 28.063 22.632 1.00 20.88 C +ATOM 2313 C GLY B 177 29.167 27.420 22.344 1.00 20.04 C +ATOM 2314 O GLY B 177 28.235 27.565 23.125 1.00 21.49 O +ATOM 2315 N LEU B 178 29.099 26.658 21.249 1.00 20.14 N +ATOM 2316 CA LEU B 178 27.879 26.035 20.780 1.00 18.97 C +ATOM 2317 C LEU B 178 28.069 24.560 20.441 1.00 17.75 C +ATOM 2318 O LEU B 178 29.140 24.126 20.048 1.00 20.21 O +ATOM 2319 CB LEU B 178 27.401 26.750 19.519 1.00 19.75 C +ATOM 2320 CG LEU B 178 27.008 28.228 19.644 1.00 20.33 C +ATOM 2321 CD1 LEU B 178 26.712 28.814 18.272 1.00 21.41 C +ATOM 2322 CD2 LEU B 178 25.818 28.446 20.597 1.00 22.14 C +ATOM 2323 N ASN B 179 26.995 23.792 20.595 1.00 18.81 N +ATOM 2324 CA ASN B 179 26.977 22.365 20.269 1.00 18.12 C +ATOM 2325 C ASN B 179 26.468 22.239 18.852 1.00 19.66 C +ATOM 2326 O ASN B 179 25.303 22.511 18.572 1.00 20.30 O +ATOM 2327 CB ASN B 179 26.067 21.636 21.230 1.00 18.03 C +ATOM 2328 CG ASN B 179 26.536 21.773 22.632 1.00 19.14 C +ATOM 2329 OD1 ASN B 179 27.684 21.493 22.914 1.00 20.95 O +ATOM 2330 ND2 ASN B 179 25.668 22.247 23.516 1.00 18.05 N +ATOM 2331 N ILE B 180 27.357 21.841 17.964 1.00 19.35 N +ATOM 2332 CA ILE B 180 27.092 21.846 16.534 1.00 19.33 C +ATOM 2333 C ILE B 180 26.916 20.416 16.055 1.00 20.80 C +ATOM 2334 O ILE B 180 27.603 19.524 16.519 1.00 19.88 O +ATOM 2335 CB ILE B 180 28.277 22.539 15.783 1.00 19.64 C +ATOM 2336 CG1 ILE B 180 28.436 24.013 16.216 1.00 20.87 C +ATOM 2337 CG2 ILE B 180 28.152 22.447 14.237 1.00 19.92 C +ATOM 2338 CD1 ILE B 180 27.279 24.931 15.928 1.00 22.24 C +ATOM 2339 N TYR B 181 25.990 20.193 15.128 1.00 18.79 N +ATOM 2340 CA TYR B 181 25.802 18.863 14.549 1.00 18.24 C +ATOM 2341 C TYR B 181 27.140 18.270 14.069 1.00 18.36 C +ATOM 2342 O TYR B 181 27.952 18.975 13.472 1.00 21.05 O +ATOM 2343 CB TYR B 181 24.896 18.927 13.341 1.00 19.08 C +ATOM 2344 CG TYR B 181 23.387 18.912 13.536 1.00 16.81 C +ATOM 2345 CD1 TYR B 181 22.777 18.067 14.431 1.00 20.85 C +ATOM 2346 CD2 TYR B 181 22.562 19.641 12.689 1.00 17.94 C +ATOM 2347 CE1 TYR B 181 21.383 18.004 14.540 1.00 20.29 C +ATOM 2348 CE2 TYR B 181 21.184 19.562 12.768 1.00 18.22 C +ATOM 2349 CZ TYR B 181 20.596 18.751 13.692 1.00 19.48 C +ATOM 2350 OH TYR B 181 19.236 18.619 13.779 1.00 18.58 O +ATOM 2351 N ASP B 182 27.355 16.997 14.358 1.00 19.11 N +ATOM 2352 CA ASP B 182 28.567 16.289 13.965 1.00 19.48 C +ATOM 2353 C ASP B 182 28.097 14.947 13.406 1.00 21.85 C +ATOM 2354 O ASP B 182 27.888 13.985 14.134 1.00 23.57 O +ATOM 2355 CB ASP B 182 29.491 16.123 15.158 1.00 20.69 C +ATOM 2356 CG ASP B 182 30.861 15.572 14.774 1.00 23.62 C +ATOM 2357 OD1 ASP B 182 31.019 15.079 13.633 1.00 26.42 O +ATOM 2358 OD2 ASP B 182 31.766 15.642 15.630 1.00 28.30 O +ATOM 2359 N PHE B 183 27.910 14.904 12.100 1.00 24.17 N +ATOM 2360 CA PHE B 183 27.341 13.723 11.470 1.00 25.02 C +ATOM 2361 C PHE B 183 28.325 12.565 11.341 1.00 27.85 C +ATOM 2362 O PHE B 183 27.894 11.446 11.085 1.00 29.83 O +ATOM 2363 CB PHE B 183 26.775 14.065 10.083 1.00 23.51 C +ATOM 2364 CG PHE B 183 25.695 15.118 10.102 1.00 21.28 C +ATOM 2365 CD1 PHE B 183 24.584 15.004 10.938 1.00 23.43 C +ATOM 2366 CD2 PHE B 183 25.781 16.223 9.279 1.00 23.17 C +ATOM 2367 CE1 PHE B 183 23.602 15.963 10.950 1.00 21.71 C +ATOM 2368 CE2 PHE B 183 24.804 17.189 9.294 1.00 23.24 C +ATOM 2369 CZ PHE B 183 23.715 17.064 10.130 1.00 21.91 C +ATOM 2370 N GLU B 184 29.616 12.819 11.543 1.00 30.62 N +ATOM 2371 CA GLU B 184 30.632 11.766 11.462 1.00 35.06 C +ATOM 2372 C GLU B 184 30.919 11.070 12.786 1.00 37.04 C +ATOM 2373 O GLU B 184 31.504 9.985 12.780 1.00 38.01 O +ATOM 2374 CB GLU B 184 31.932 12.342 10.881 1.00 36.24 C +ATOM 2375 CG GLU B 184 31.731 13.077 9.542 1.00 42.79 C +ATOM 2376 CD GLU B 184 30.964 12.240 8.516 1.00 50.89 C +ATOM 2377 OE1 GLU B 184 31.263 11.031 8.396 1.00 61.18 O +ATOM 2378 OE2 GLU B 184 30.059 12.775 7.838 1.00 59.23 O +ATOM 2379 N ARG B 185 30.522 11.644 13.917 1.00 37.22 N +ATOM 2380 CA ARG B 185 30.829 10.987 15.181 1.00 39.51 C +ATOM 2381 C ARG B 185 29.749 9.974 15.539 1.00 40.43 C +ATOM 2382 O ARG B 185 28.595 10.026 15.090 1.00 38.04 O +ATOM 2383 CB ARG B 185 31.043 11.997 16.305 1.00 40.40 C +ATOM 2384 CG ARG B 185 29.806 12.530 16.954 1.00 41.02 C +ATOM 2385 CD ARG B 185 30.172 13.495 18.058 1.00 38.66 C +ATOM 2386 NE ARG B 185 30.641 12.806 19.256 1.00 36.30 N +ATOM 2387 CZ ARG B 185 31.254 13.399 20.283 1.00 36.42 C +ATOM 2388 NH1 ARG B 185 31.547 14.703 20.272 1.00 36.01 N +ATOM 2389 NH2 ARG B 185 31.627 12.670 21.326 1.00 37.70 N +ATOM 2390 OXT ARG B 185 30.048 9.070 16.322 1.00 41.29 O +TER 2391 ARG B 185 +ATOM 2392 N ASN C 43 -14.200 26.777 -7.456 1.00 41.97 N +ATOM 2393 CA ASN C 43 -12.734 26.535 -7.582 1.00 38.50 C +ATOM 2394 C ASN C 43 -11.944 27.554 -6.770 1.00 32.92 C +ATOM 2395 O ASN C 43 -11.856 28.724 -7.139 1.00 36.80 O +ATOM 2396 CB ASN C 43 -12.284 26.599 -9.033 1.00 42.35 C +ATOM 2397 CG ASN C 43 -10.830 26.180 -9.204 1.00 46.46 C +ATOM 2398 OD1 ASN C 43 -10.496 24.993 -9.059 1.00 56.29 O +ATOM 2399 ND2 ASN C 43 -9.962 27.143 -9.529 1.00 48.47 N +HETATM 2400 N AMSE C 44 -11.394 27.111 -5.649 0.50 28.74 N +HETATM 2401 N BMSE C 44 -11.387 27.090 -5.661 0.50 27.73 N +HETATM 2402 CA AMSE C 44 -10.609 27.976 -4.771 0.50 23.49 C +HETATM 2403 CA BMSE C 44 -10.634 27.927 -4.742 0.50 21.39 C +HETATM 2404 C AMSE C 44 -9.118 27.654 -4.752 0.50 21.62 C +HETATM 2405 C BMSE C 44 -9.133 27.657 -4.761 0.50 20.42 C +HETATM 2406 O AMSE C 44 -8.345 28.406 -4.163 0.50 19.72 O +HETATM 2407 O BMSE C 44 -8.372 28.446 -4.210 0.50 17.71 O +HETATM 2408 CB AMSE C 44 -11.168 27.901 -3.353 0.50 22.55 C +HETATM 2409 CB BMSE C 44 -11.161 27.695 -3.332 0.50 20.09 C +HETATM 2410 CG AMSE C 44 -12.373 28.793 -3.136 0.50 19.88 C +HETATM 2411 CG BMSE C 44 -12.664 27.885 -3.220 0.50 18.48 C +HETATM 2412 SE AMSE C 44 -13.086 28.539 -1.354 0.38 22.89 SE +HETATM 2413 SE BMSE C 44 -13.297 27.772 -1.419 0.37 17.30 SE +HETATM 2414 CE AMSE C 44 -13.912 26.800 -1.829 0.50 19.43 C +HETATM 2415 CE BMSE C 44 -12.536 29.473 -0.739 0.50 23.75 C +ATOM 2416 N TYR C 45 -8.718 26.568 -5.404 1.00 18.92 N +ATOM 2417 CA TYR C 45 -7.334 26.134 -5.402 1.00 17.41 C +ATOM 2418 C TYR C 45 -7.034 25.154 -6.521 1.00 16.03 C +ATOM 2419 O TYR C 45 -7.949 24.626 -7.200 1.00 17.70 O +ATOM 2420 CB TYR C 45 -7.023 25.420 -4.060 1.00 17.58 C +ATOM 2421 CG TYR C 45 -8.049 24.347 -3.733 1.00 18.81 C +ATOM 2422 CD1 TYR C 45 -8.052 23.120 -4.393 1.00 17.44 C +ATOM 2423 CD2 TYR C 45 -9.062 24.590 -2.821 1.00 19.48 C +ATOM 2424 CE1 TYR C 45 -9.038 22.157 -4.134 1.00 19.24 C +ATOM 2425 CE2 TYR C 45 -10.040 23.648 -2.569 1.00 17.88 C +ATOM 2426 CZ TYR C 45 -10.018 22.447 -3.207 1.00 21.60 C +ATOM 2427 OH TYR C 45 -10.974 21.517 -2.951 1.00 25.48 O +ATOM 2428 N ASER C 46 -5.746 24.916 -6.732 0.50 16.20 N +ATOM 2429 N BSER C 46 -5.734 24.942 -6.725 0.50 16.98 N +ATOM 2430 CA ASER C 46 -5.272 23.803 -7.554 0.50 14.87 C +ATOM 2431 CA BSER C 46 -5.181 23.884 -7.573 0.50 16.86 C +ATOM 2432 C ASER C 46 -4.273 23.060 -6.683 0.50 14.23 C +ATOM 2433 C BSER C 46 -4.303 23.049 -6.652 0.50 15.29 C +ATOM 2434 O ASER C 46 -3.782 23.604 -5.679 0.50 15.64 O +ATOM 2435 O BSER C 46 -3.924 23.524 -5.567 0.50 16.53 O +ATOM 2436 CB ASER C 46 -4.613 24.279 -8.840 0.50 16.66 C +ATOM 2437 CB BSER C 46 -4.310 24.462 -8.683 0.50 18.09 C +ATOM 2438 OG ASER C 46 -3.592 25.221 -8.574 0.50 16.29 O +ATOM 2439 OG BSER C 46 -5.033 25.361 -9.503 0.50 24.73 O +ATOM 2440 N TYR C 47 -3.961 21.827 -7.047 1.00 15.68 N +ATOM 2441 CA TYR C 47 -3.113 21.018 -6.211 1.00 16.22 C +ATOM 2442 C TYR C 47 -2.455 19.899 -6.974 1.00 15.57 C +ATOM 2443 O TYR C 47 -2.860 19.577 -8.093 1.00 16.46 O +ATOM 2444 CB TYR C 47 -3.923 20.443 -5.035 1.00 16.24 C +ATOM 2445 CG TYR C 47 -4.897 19.366 -5.437 1.00 18.30 C +ATOM 2446 CD1 TYR C 47 -6.180 19.670 -5.863 1.00 22.71 C +ATOM 2447 CD2 TYR C 47 -4.517 18.027 -5.384 1.00 20.63 C +ATOM 2448 CE1 TYR C 47 -7.071 18.650 -6.244 1.00 24.54 C +ATOM 2449 CE2 TYR C 47 -5.394 17.030 -5.742 1.00 22.31 C +ATOM 2450 CZ TYR C 47 -6.656 17.345 -6.158 1.00 24.81 C +ATOM 2451 OH TYR C 47 -7.491 16.303 -6.493 1.00 28.59 O +ATOM 2452 N LYS C 48 -1.429 19.344 -6.343 1.00 17.84 N +ATOM 2453 CA LYS C 48 -0.710 18.178 -6.833 1.00 17.82 C +ATOM 2454 C LYS C 48 -0.535 17.227 -5.666 1.00 17.66 C +ATOM 2455 O LYS C 48 -0.057 17.611 -4.607 1.00 17.16 O +ATOM 2456 CB LYS C 48 0.653 18.574 -7.392 1.00 17.61 C +ATOM 2457 CG LYS C 48 1.472 17.399 -7.962 1.00 21.99 C +ATOM 2458 CD LYS C 48 2.813 17.893 -8.496 1.00 26.07 C +ATOM 2459 CE LYS C 48 3.678 16.756 -9.012 1.00 29.45 C +ATOM 2460 NZ LYS C 48 3.110 16.120 -10.233 1.00 30.80 N +ATOM 2461 N LYS C 49 -0.921 15.977 -5.865 1.00 18.12 N +ATOM 2462 CA LYS C 49 -0.775 14.939 -4.862 1.00 17.35 C +ATOM 2463 C LYS C 49 0.584 14.280 -5.033 1.00 19.24 C +ATOM 2464 O LYS C 49 0.901 13.835 -6.145 1.00 20.08 O +ATOM 2465 CB LYS C 49 -1.866 13.889 -5.039 1.00 19.00 C +ATOM 2466 CG LYS C 49 -1.886 12.809 -3.958 1.00 22.85 C +ATOM 2467 CD LYS C 49 -3.026 11.815 -4.209 1.00 22.98 C +ATOM 2468 CE LYS C 49 -3.095 10.786 -3.090 1.00 26.61 C +ATOM 2469 NZ LYS C 49 -1.849 9.934 -3.092 1.00 34.67 N +ATOM 2470 N ILE C 50 1.361 14.195 -3.953 1.00 19.49 N +ATOM 2471 CA ILE C 50 2.637 13.489 -3.968 1.00 21.12 C +ATOM 2472 C ILE C 50 2.640 12.594 -2.749 1.00 21.86 C +ATOM 2473 O ILE C 50 2.931 13.033 -1.642 1.00 20.43 O +ATOM 2474 CB ILE C 50 3.862 14.418 -3.952 1.00 23.29 C +ATOM 2475 CG1 ILE C 50 3.815 15.389 -5.132 1.00 22.44 C +ATOM 2476 CG2 ILE C 50 5.157 13.587 -4.018 1.00 24.89 C +ATOM 2477 CD1 ILE C 50 4.897 16.432 -5.116 1.00 23.44 C +ATOM 2478 N GLY C 51 2.314 11.321 -2.970 1.00 23.61 N +ATOM 2479 CA GLY C 51 2.253 10.365 -1.892 1.00 23.34 C +ATOM 2480 C GLY C 51 1.211 10.797 -0.879 1.00 23.17 C +ATOM 2481 O GLY C 51 0.055 11.037 -1.240 1.00 25.07 O +ATOM 2482 N ASN C 52 1.658 10.976 0.366 1.00 21.97 N +ATOM 2483 CA ASN C 52 0.796 11.323 1.490 1.00 25.55 C +ATOM 2484 C ASN C 52 0.602 12.818 1.675 1.00 22.79 C +ATOM 2485 O ASN C 52 0.013 13.244 2.653 1.00 23.69 O +ATOM 2486 CB ASN C 52 1.342 10.702 2.796 1.00 26.38 C +ATOM 2487 CG ASN C 52 2.740 11.218 3.194 1.00 32.35 C +ATOM 2488 OD1 ASN C 52 3.451 11.830 2.397 1.00 42.75 O +ATOM 2489 ND2 ASN C 52 3.150 10.920 4.424 1.00 35.04 N +ATOM 2490 N LYS C 53 1.099 13.597 0.737 1.00 20.27 N +ATOM 2491 CA LYS C 53 1.009 15.043 0.803 1.00 19.84 C +ATOM 2492 C LYS C 53 0.321 15.595 -0.424 1.00 18.92 C +ATOM 2493 O LYS C 53 0.309 14.993 -1.501 1.00 18.47 O +ATOM 2494 CB LYS C 53 2.406 15.631 0.910 1.00 21.49 C +ATOM 2495 CG LYS C 53 3.107 15.224 2.167 1.00 26.82 C +ATOM 2496 CD LYS C 53 4.435 15.909 2.285 1.00 31.14 C +ATOM 2497 CE LYS C 53 5.154 15.484 3.559 1.00 33.48 C +ATOM 2498 NZ LYS C 53 5.655 14.072 3.409 1.00 34.73 N +ATOM 2499 N TYR C 54 -0.283 16.759 -0.220 1.00 16.35 N +ATOM 2500 CA TYR C 54 -0.841 17.556 -1.281 1.00 16.57 C +ATOM 2501 C TYR C 54 -0.148 18.906 -1.259 1.00 15.99 C +ATOM 2502 O TYR C 54 -0.096 19.544 -0.196 1.00 15.49 O +ATOM 2503 CB TYR C 54 -2.310 17.780 -1.049 1.00 16.67 C +ATOM 2504 CG TYR C 54 -3.152 16.536 -1.116 1.00 18.05 C +ATOM 2505 CD1 TYR C 54 -3.612 16.061 -2.320 1.00 21.40 C +ATOM 2506 CD2 TYR C 54 -3.527 15.873 0.039 1.00 18.35 C +ATOM 2507 CE1 TYR C 54 -4.431 14.928 -2.379 1.00 21.70 C +ATOM 2508 CE2 TYR C 54 -4.341 14.738 -0.005 1.00 21.84 C +ATOM 2509 CZ TYR C 54 -4.781 14.272 -1.215 1.00 19.26 C +ATOM 2510 OH TYR C 54 -5.583 13.149 -1.237 1.00 23.27 O +ATOM 2511 N ILE C 55 0.338 19.344 -2.425 1.00 14.88 N +ATOM 2512 CA ILE C 55 0.916 20.651 -2.590 1.00 15.31 C +ATOM 2513 C ILE C 55 -0.261 21.463 -3.115 1.00 15.94 C +ATOM 2514 O ILE C 55 -0.760 21.183 -4.230 1.00 16.80 O +ATOM 2515 CB ILE C 55 2.093 20.674 -3.562 1.00 15.97 C +ATOM 2516 CG1 ILE C 55 3.155 19.647 -3.155 1.00 20.17 C +ATOM 2517 CG2 ILE C 55 2.649 22.090 -3.659 1.00 16.92 C +ATOM 2518 CD1 ILE C 55 3.543 19.662 -1.708 1.00 23.31 C +ATOM 2519 N VAL C 56 -0.703 22.434 -2.321 1.00 16.30 N +ATOM 2520 CA VAL C 56 -1.911 23.195 -2.597 1.00 14.46 C +ATOM 2521 C VAL C 56 -1.550 24.630 -2.917 1.00 15.10 C +ATOM 2522 O VAL C 56 -0.863 25.303 -2.125 1.00 16.34 O +ATOM 2523 CB VAL C 56 -2.877 23.142 -1.415 1.00 14.40 C +ATOM 2524 CG1 VAL C 56 -4.152 23.893 -1.740 1.00 16.66 C +ATOM 2525 CG2 VAL C 56 -3.182 21.679 -1.036 1.00 16.10 C +ATOM 2526 N SER C 57 -1.963 25.080 -4.094 1.00 14.68 N +ATOM 2527 CA SER C 57 -1.790 26.432 -4.555 1.00 16.25 C +ATOM 2528 C SER C 57 -3.169 27.108 -4.518 1.00 16.18 C +ATOM 2529 O SER C 57 -4.015 26.835 -5.354 1.00 16.25 O +ATOM 2530 CB SER C 57 -1.200 26.445 -5.950 1.00 16.63 C +ATOM 2531 OG SER C 57 -0.950 27.769 -6.363 1.00 18.09 O +ATOM 2532 N ILE C 58 -3.384 27.976 -3.533 1.00 14.36 N +ATOM 2533 CA ILE C 58 -4.685 28.615 -3.357 1.00 14.52 C +ATOM 2534 C ILE C 58 -4.819 29.708 -4.405 1.00 15.00 C +ATOM 2535 O ILE C 58 -3.833 30.314 -4.803 1.00 15.41 O +ATOM 2536 CB ILE C 58 -4.874 29.137 -1.902 1.00 13.87 C +ATOM 2537 CG1 ILE C 58 -4.839 27.943 -0.929 1.00 16.96 C +ATOM 2538 CG2 ILE C 58 -6.153 29.963 -1.786 1.00 15.38 C +ATOM 2539 CD1 ILE C 58 -5.092 28.246 0.518 1.00 19.30 C +ATOM 2540 N ASN C 59 -6.027 29.916 -4.922 1.00 15.24 N +ATOM 2541 CA ASN C 59 -6.238 30.917 -5.947 1.00 15.96 C +ATOM 2542 C ASN C 59 -6.060 32.303 -5.335 1.00 15.35 C +ATOM 2543 O ASN C 59 -6.329 32.533 -4.146 1.00 16.62 O +ATOM 2544 CB ASN C 59 -7.655 30.851 -6.514 1.00 17.09 C +ATOM 2545 CG ASN C 59 -7.941 29.604 -7.332 1.00 18.45 C +ATOM 2546 OD1 ASN C 59 -7.067 28.799 -7.622 1.00 21.55 O +ATOM 2547 ND2 ASN C 59 -9.213 29.449 -7.708 1.00 21.61 N +ATOM 2548 N ASN C 60 -5.651 33.256 -6.154 1.00 15.73 N +ATOM 2549 CA ASN C 60 -5.517 34.599 -5.657 1.00 15.35 C +ATOM 2550 C ASN C 60 -6.880 35.172 -5.247 1.00 13.69 C +ATOM 2551 O ASN C 60 -7.938 34.720 -5.728 1.00 15.76 O +ATOM 2552 CB ASN C 60 -4.867 35.473 -6.720 1.00 15.66 C +ATOM 2553 CG ASN C 60 -4.213 36.713 -6.137 1.00 16.52 C +ATOM 2554 OD1 ASN C 60 -4.079 36.867 -4.910 1.00 14.93 O +ATOM 2555 ND2 ASN C 60 -3.790 37.599 -7.015 1.00 18.89 N +ATOM 2556 N HIS C 61 -6.851 36.159 -4.346 1.00 14.62 N +ATOM 2557 CA HIS C 61 -8.067 36.865 -3.887 1.00 15.86 C +ATOM 2558 C HIS C 61 -9.082 35.959 -3.179 1.00 16.88 C +ATOM 2559 O HIS C 61 -10.255 36.295 -3.073 1.00 21.15 O +ATOM 2560 CB HIS C 61 -8.745 37.618 -5.052 1.00 15.03 C +ATOM 2561 CG HIS C 61 -7.790 38.407 -5.892 1.00 19.38 C +ATOM 2562 ND1 HIS C 61 -6.940 39.347 -5.359 1.00 21.28 N +ATOM 2563 CD2 HIS C 61 -7.540 38.379 -7.223 1.00 22.26 C +ATOM 2564 CE1 HIS C 61 -6.229 39.893 -6.330 1.00 24.16 C +ATOM 2565 NE2 HIS C 61 -6.562 39.310 -7.468 1.00 22.80 N +ATOM 2566 N THR C 62 -8.606 34.842 -2.648 1.00 15.15 N +ATOM 2567 CA THR C 62 -9.421 33.842 -1.980 1.00 14.39 C +ATOM 2568 C THR C 62 -9.098 33.823 -0.494 1.00 15.13 C +ATOM 2569 O THR C 62 -7.936 34.034 -0.091 1.00 14.52 O +ATOM 2570 CB THR C 62 -9.131 32.469 -2.604 1.00 14.51 C +ATOM 2571 OG1 THR C 62 -9.369 32.574 -4.023 1.00 16.59 O +ATOM 2572 CG2 THR C 62 -9.983 31.379 -2.012 1.00 16.47 C +ATOM 2573 N GLU C 63 -10.131 33.574 0.306 1.00 14.06 N +ATOM 2574 CA GLU C 63 -9.959 33.481 1.745 1.00 14.42 C +ATOM 2575 C GLU C 63 -9.364 32.079 2.039 1.00 14.66 C +ATOM 2576 O GLU C 63 -9.982 31.029 1.762 1.00 13.81 O +ATOM 2577 CB GLU C 63 -11.264 33.760 2.477 1.00 14.28 C +ATOM 2578 CG GLU C 63 -11.103 34.192 3.926 1.00 16.22 C +ATOM 2579 CD GLU C 63 -10.747 33.007 4.805 1.00 14.82 C +ATOM 2580 OE1 GLU C 63 -11.644 32.138 4.964 1.00 16.87 O +ATOM 2581 OE2 GLU C 63 -9.591 32.921 5.261 1.00 14.67 O +ATOM 2582 N AILE C 64 -8.162 32.091 2.581 0.70 14.07 N +ATOM 2583 N BILE C 64 -8.153 32.073 2.583 0.30 12.85 N +ATOM 2584 CA AILE C 64 -7.338 30.907 2.732 0.70 15.50 C +ATOM 2585 CA BILE C 64 -7.354 30.849 2.671 0.30 12.28 C +ATOM 2586 C AILE C 64 -7.903 29.877 3.673 0.70 14.62 C +ATOM 2587 C BILE C 64 -7.850 29.853 3.708 0.30 13.34 C +ATOM 2588 O AILE C 64 -7.809 28.675 3.398 0.70 15.58 O +ATOM 2589 O BILE C 64 -7.626 28.653 3.552 0.30 13.48 O +ATOM 2590 CB AILE C 64 -5.899 31.326 3.158 0.70 15.76 C +ATOM 2591 CB BILE C 64 -5.828 31.161 2.880 0.30 10.90 C +ATOM 2592 CG1AILE C 64 -5.176 31.955 1.965 0.70 17.36 C +ATOM 2593 CG1BILE C 64 -5.527 31.622 4.315 0.30 6.86 C +ATOM 2594 CG2AILE C 64 -5.107 30.144 3.701 0.70 17.56 C +ATOM 2595 CG2BILE C 64 -5.352 32.190 1.843 0.30 10.54 C +ATOM 2596 CD1AILE C 64 -3.981 32.766 2.367 0.70 19.48 C +ATOM 2597 CD1BILE C 64 -4.059 31.953 4.542 0.30 13.05 C +ATOM 2598 N VAL C 65 -8.491 30.327 4.773 1.00 14.81 N +ATOM 2599 CA VAL C 65 -9.027 29.399 5.777 1.00 13.85 C +ATOM 2600 C VAL C 65 -10.232 28.636 5.187 1.00 13.63 C +ATOM 2601 O VAL C 65 -10.297 27.400 5.304 1.00 15.34 O +ATOM 2602 CB VAL C 65 -9.337 30.094 7.103 1.00 13.51 C +ATOM 2603 CG1 VAL C 65 -9.986 29.085 8.070 1.00 15.33 C +ATOM 2604 CG2 VAL C 65 -8.068 30.689 7.702 1.00 14.18 C +ATOM 2605 N ALYS C 66 -11.141 29.364 4.549 0.50 14.42 N +ATOM 2606 N BLYS C 66 -11.159 29.330 4.532 0.50 14.14 N +ATOM 2607 CA ALYS C 66 -12.253 28.785 3.811 0.50 15.98 C +ATOM 2608 CA BLYS C 66 -12.272 28.641 3.884 0.50 15.05 C +ATOM 2609 C ALYS C 66 -11.742 27.761 2.808 0.50 16.18 C +ATOM 2610 C BLYS C 66 -11.745 27.716 2.789 0.50 15.67 C +ATOM 2611 O ALYS C 66 -12.249 26.645 2.748 0.50 15.25 O +ATOM 2612 O BLYS C 66 -12.263 26.617 2.632 0.50 14.87 O +ATOM 2613 CB ALYS C 66 -13.018 29.902 3.096 0.50 17.45 C +ATOM 2614 CB BLYS C 66 -13.299 29.616 3.310 0.50 14.05 C +ATOM 2615 CG ALYS C 66 -14.098 29.472 2.133 0.50 19.19 C +ATOM 2616 CG BLYS C 66 -14.538 28.943 2.712 0.50 16.44 C +ATOM 2617 CD ALYS C 66 -14.773 30.689 1.512 0.50 19.25 C +ATOM 2618 CD BLYS C 66 -15.442 29.944 2.004 0.50 18.40 C +ATOM 2619 CE ALYS C 66 -15.999 30.295 0.696 0.50 22.43 C +ATOM 2620 CE BLYS C 66 -16.466 29.251 1.096 0.50 24.15 C +ATOM 2621 NZ ALYS C 66 -17.108 29.720 1.546 0.50 27.33 N +ATOM 2622 NZ BLYS C 66 -17.230 30.266 0.305 0.50 26.86 N +ATOM 2623 N ALA C 67 -10.732 28.145 2.033 1.00 14.86 N +ATOM 2624 CA ALA C 67 -10.159 27.281 0.989 1.00 14.59 C +ATOM 2625 C ALA C 67 -9.509 26.020 1.548 1.00 13.31 C +ATOM 2626 O ALA C 67 -9.743 24.943 1.012 1.00 14.34 O +ATOM 2627 CB ALA C 67 -9.167 28.063 0.121 1.00 16.66 C +ATOM 2628 N LEU C 68 -8.780 26.154 2.652 1.00 14.13 N +ATOM 2629 CA LEU C 68 -8.123 24.988 3.256 1.00 14.76 C +ATOM 2630 C LEU C 68 -9.162 24.047 3.840 1.00 15.89 C +ATOM 2631 O LEU C 68 -9.020 22.835 3.737 1.00 14.50 O +ATOM 2632 CB LEU C 68 -7.107 25.404 4.313 1.00 13.90 C +ATOM 2633 CG LEU C 68 -5.833 26.041 3.762 1.00 13.99 C +ATOM 2634 CD1 LEU C 68 -5.015 26.786 4.858 1.00 13.60 C +ATOM 2635 CD2 LEU C 68 -4.941 25.008 3.018 1.00 16.04 C +ATOM 2636 N ASN C 69 -10.199 24.597 4.456 1.00 14.77 N +ATOM 2637 CA ASN C 69 -11.295 23.777 4.947 1.00 14.90 C +ATOM 2638 C ASN C 69 -11.959 23.043 3.793 1.00 15.30 C +ATOM 2639 O ASN C 69 -12.207 21.833 3.883 1.00 16.23 O +ATOM 2640 CB ASN C 69 -12.340 24.588 5.685 1.00 13.26 C +ATOM 2641 CG ASN C 69 -12.020 24.761 7.137 1.00 19.86 C +ATOM 2642 OD1 ASN C 69 -12.386 23.914 7.973 1.00 22.03 O +ATOM 2643 ND2 ASN C 69 -11.361 25.883 7.477 1.00 20.94 N +ATOM 2644 N ALA C 70 -12.225 23.767 2.713 1.00 15.24 N +ATOM 2645 CA ALA C 70 -12.838 23.178 1.513 1.00 14.68 C +ATOM 2646 C ALA C 70 -11.970 22.062 0.976 1.00 15.66 C +ATOM 2647 O ALA C 70 -12.480 20.982 0.618 1.00 14.59 O +ATOM 2648 CB ALA C 70 -13.075 24.272 0.438 1.00 15.72 C +ATOM 2649 N PHE C 71 -10.668 22.287 0.916 1.00 15.68 N +ATOM 2650 CA PHE C 71 -9.759 21.284 0.402 1.00 14.53 C +ATOM 2651 C PHE C 71 -9.815 20.007 1.225 1.00 14.49 C +ATOM 2652 O PHE C 71 -9.929 18.919 0.670 1.00 13.87 O +ATOM 2653 CB PHE C 71 -8.322 21.814 0.382 1.00 15.06 C +ATOM 2654 CG PHE C 71 -7.355 20.845 -0.159 1.00 14.79 C +ATOM 2655 CD1 PHE C 71 -7.200 20.721 -1.519 1.00 16.21 C +ATOM 2656 CD2 PHE C 71 -6.645 19.988 0.667 1.00 17.08 C +ATOM 2657 CE1 PHE C 71 -6.350 19.761 -2.058 1.00 18.87 C +ATOM 2658 CE2 PHE C 71 -5.800 19.031 0.112 1.00 16.55 C +ATOM 2659 CZ PHE C 71 -5.663 18.940 -1.252 1.00 17.25 C +ATOM 2660 N CYS C 72 -9.755 20.145 2.540 1.00 15.76 N +ATOM 2661 CA CYS C 72 -9.823 18.995 3.414 1.00 15.32 C +ATOM 2662 C CYS C 72 -11.160 18.261 3.314 1.00 15.20 C +ATOM 2663 O CYS C 72 -11.201 17.014 3.355 1.00 14.97 O +ATOM 2664 CB CYS C 72 -9.557 19.381 4.860 1.00 14.36 C +ATOM 2665 SG CYS C 72 -7.858 19.944 5.124 1.00 17.49 S +ATOM 2666 N LYS C 73 -12.253 19.008 3.154 1.00 14.66 N +ATOM 2667 CA LYS C 73 -13.560 18.387 2.957 1.00 16.80 C +ATOM 2668 C LYS C 73 -13.630 17.656 1.602 1.00 15.33 C +ATOM 2669 O LYS C 73 -14.156 16.537 1.512 1.00 17.45 O +ATOM 2670 CB LYS C 73 -14.695 19.412 3.056 1.00 15.52 C +ATOM 2671 CG LYS C 73 -14.935 19.900 4.447 1.00 16.54 C +ATOM 2672 CD LYS C 73 -16.168 20.826 4.554 1.00 21.70 C +ATOM 2673 CE LYS C 73 -16.025 22.172 3.911 1.00 32.44 C +ATOM 2674 NZ LYS C 73 -17.392 22.818 3.900 1.00 37.88 N +ATOM 2675 N AGLU C 74 -13.106 18.277 0.550 0.50 14.88 N +ATOM 2676 N BGLU C 74 -13.113 18.301 0.546 0.50 15.94 N +ATOM 2677 CA AGLU C 74 -13.182 17.674 -0.776 0.50 14.52 C +ATOM 2678 CA BGLU C 74 -13.093 17.714 -0.808 0.50 16.27 C +ATOM 2679 C AGLU C 74 -12.256 16.452 -0.959 0.50 13.49 C +ATOM 2680 C BGLU C 74 -12.287 16.422 -0.892 0.50 14.34 C +ATOM 2681 O AGLU C 74 -12.567 15.583 -1.784 0.50 13.28 O +ATOM 2682 O BGLU C 74 -12.697 15.487 -1.584 0.50 14.32 O +ATOM 2683 CB AGLU C 74 -12.961 18.736 -1.860 0.50 15.84 C +ATOM 2684 CB BGLU C 74 -12.577 18.714 -1.872 0.50 18.14 C +ATOM 2685 CG AGLU C 74 -14.036 19.845 -1.883 0.50 18.37 C +ATOM 2686 CG BGLU C 74 -12.177 18.060 -3.236 0.50 16.68 C +ATOM 2687 CD AGLU C 74 -15.412 19.402 -2.358 0.50 19.02 C +ATOM 2688 CD BGLU C 74 -12.202 18.996 -4.426 0.50 21.49 C +ATOM 2689 OE1AGLU C 74 -16.403 20.016 -1.918 0.50 28.31 O +ATOM 2690 OE1BGLU C 74 -13.281 19.146 -5.046 0.50 32.63 O +ATOM 2691 OE2AGLU C 74 -15.525 18.448 -3.147 0.50 15.89 O +ATOM 2692 OE2BGLU C 74 -11.141 19.537 -4.783 0.50 20.84 O +ATOM 2693 N LYS C 75 -11.145 16.393 -0.217 1.00 15.39 N +ATOM 2694 CA LYS C 75 -10.256 15.231 -0.225 1.00 15.56 C +ATOM 2695 C LYS C 75 -10.550 14.261 0.911 1.00 17.72 C +ATOM 2696 O LYS C 75 -9.895 13.230 0.992 1.00 20.76 O +ATOM 2697 CB LYS C 75 -8.781 15.642 -0.181 1.00 16.93 C +ATOM 2698 CG LYS C 75 -8.344 16.559 -1.313 1.00 20.86 C +ATOM 2699 CD LYS C 75 -8.673 16.081 -2.746 1.00 26.16 C +ATOM 2700 CE LYS C 75 -7.845 14.902 -3.119 1.00 33.17 C +ATOM 2701 N GLY C 76 -11.515 14.573 1.773 1.00 16.23 N +ATOM 2702 CA GLY C 76 -11.872 13.684 2.873 1.00 17.24 C +ATOM 2703 C GLY C 76 -10.733 13.413 3.826 1.00 18.31 C +ATOM 2704 O GLY C 76 -10.520 12.268 4.244 1.00 19.80 O +ATOM 2705 N ILE C 77 -9.973 14.446 4.172 1.00 16.72 N +ATOM 2706 CA ILE C 77 -8.794 14.261 4.997 1.00 15.73 C +ATOM 2707 C ILE C 77 -9.251 14.183 6.437 1.00 18.07 C +ATOM 2708 O ILE C 77 -9.919 15.076 6.931 1.00 18.04 O +ATOM 2709 CB ILE C 77 -7.761 15.376 4.820 1.00 15.44 C +ATOM 2710 CG1 ILE C 77 -7.237 15.383 3.373 1.00 17.92 C +ATOM 2711 CG2 ILE C 77 -6.594 15.211 5.850 1.00 16.19 C +ATOM 2712 CD1 ILE C 77 -6.275 16.474 3.068 1.00 18.35 C +ATOM 2713 N LEU C 78 -8.880 13.081 7.085 1.00 15.56 N +ATOM 2714 CA LEU C 78 -9.255 12.813 8.467 1.00 16.29 C +ATOM 2715 C LEU C 78 -8.446 13.641 9.481 1.00 17.03 C +ATOM 2716 O LEU C 78 -8.962 14.192 10.459 1.00 17.11 O +ATOM 2717 CB LEU C 78 -9.055 11.306 8.722 1.00 16.37 C +ATOM 2718 CG LEU C 78 -9.967 10.347 7.940 1.00 18.86 C +ATOM 2719 CD1 LEU C 78 -9.456 8.904 7.974 1.00 18.58 C +ATOM 2720 CD2 LEU C 78 -11.358 10.480 8.499 1.00 19.97 C +ATOM 2721 N SER C 79 -7.145 13.662 9.262 1.00 16.16 N +ATOM 2722 CA SER C 79 -6.202 14.339 10.128 1.00 16.21 C +ATOM 2723 C SER C 79 -4.943 14.554 9.346 1.00 16.37 C +ATOM 2724 O SER C 79 -4.724 13.933 8.323 1.00 15.26 O +ATOM 2725 CB SER C 79 -5.898 13.552 11.414 1.00 17.44 C +ATOM 2726 OG SER C 79 -5.152 12.371 11.138 1.00 18.84 O +ATOM 2727 N GLY C 80 -4.118 15.467 9.837 1.00 14.94 N +ATOM 2728 CA GLY C 80 -2.915 15.840 9.129 1.00 15.03 C +ATOM 2729 C GLY C 80 -2.397 17.170 9.597 1.00 13.83 C +ATOM 2730 O GLY C 80 -2.803 17.678 10.648 1.00 15.11 O +ATOM 2731 N SER C 81 -1.484 17.686 8.813 1.00 14.40 N +ATOM 2732 CA SER C 81 -0.845 18.978 9.092 1.00 15.01 C +ATOM 2733 C SER C 81 -0.961 19.880 7.876 1.00 15.94 C +ATOM 2734 O SER C 81 -1.104 19.422 6.740 1.00 15.40 O +ATOM 2735 CB SER C 81 0.623 18.779 9.397 1.00 17.85 C +ATOM 2736 OG SER C 81 1.322 18.305 8.273 1.00 21.85 O +ATOM 2737 N ILE C 82 -0.855 21.180 8.140 1.00 14.90 N +ATOM 2738 CA ILE C 82 -0.866 22.193 7.099 1.00 16.18 C +ATOM 2739 C ILE C 82 0.258 23.155 7.406 1.00 14.93 C +ATOM 2740 O ILE C 82 0.408 23.611 8.539 1.00 15.48 O +ATOM 2741 CB ILE C 82 -2.195 22.975 7.036 1.00 16.92 C +ATOM 2742 CG1 ILE C 82 -3.369 22.043 6.800 1.00 17.15 C +ATOM 2743 CG2 ILE C 82 -2.168 23.984 5.886 1.00 17.38 C +ATOM 2744 CD1 ILE C 82 -4.776 22.692 6.826 1.00 17.05 C +ATOM 2745 N AASN C 83 1.057 23.444 6.394 0.60 14.96 N +ATOM 2746 N BASN C 83 1.070 23.449 6.404 0.40 16.28 N +ATOM 2747 CA AASN C 83 2.162 24.384 6.529 0.60 15.25 C +ATOM 2748 CA BASN C 83 2.077 24.486 6.576 0.40 17.44 C +ATOM 2749 C AASN C 83 2.230 25.202 5.262 0.60 13.99 C +ATOM 2750 C BASN C 83 2.460 25.142 5.260 0.40 15.03 C +ATOM 2751 O AASN C 83 1.817 24.742 4.237 0.60 15.82 O +ATOM 2752 O BASN C 83 2.633 24.487 4.211 0.40 11.53 O +ATOM 2753 CB AASN C 83 3.449 23.624 6.781 0.60 15.44 C +ATOM 2754 CB BASN C 83 3.303 23.968 7.332 0.40 19.54 C +ATOM 2755 CG AASN C 83 3.483 23.001 8.179 0.60 14.54 C +ATOM 2756 CG BASN C 83 3.994 22.857 6.614 0.40 28.11 C +ATOM 2757 OD1AASN C 83 3.725 23.696 9.158 0.60 16.86 O +ATOM 2758 OD1BASN C 83 3.961 21.706 7.053 0.40 38.17 O +ATOM 2759 ND2AASN C 83 3.224 21.707 8.278 0.60 17.37 N +ATOM 2760 ND2BASN C 83 4.636 23.185 5.501 0.40 32.72 N +ATOM 2761 N GLY C 84 2.657 26.445 5.335 1.00 14.61 N +ATOM 2762 CA GLY C 84 2.910 27.182 4.114 1.00 16.46 C +ATOM 2763 C GLY C 84 3.180 28.652 4.247 1.00 14.77 C +ATOM 2764 O GLY C 84 3.303 29.163 5.352 1.00 15.68 O +ATOM 2765 N ILE C 85 3.260 29.281 3.080 1.00 15.57 N +ATOM 2766 CA ILE C 85 3.666 30.647 2.923 1.00 14.15 C +ATOM 2767 C ILE C 85 2.864 31.270 1.820 1.00 14.92 C +ATOM 2768 O ILE C 85 2.238 30.579 1.007 1.00 15.41 O +ATOM 2769 CB ILE C 85 5.205 30.746 2.618 1.00 15.04 C +ATOM 2770 CG1 ILE C 85 5.615 30.024 1.325 1.00 15.55 C +ATOM 2771 CG2 ILE C 85 6.030 30.243 3.810 1.00 16.40 C +ATOM 2772 CD1 ILE C 85 7.105 30.224 0.900 1.00 16.19 C +ATOM 2773 N GLY C 86 2.910 32.572 1.751 1.00 14.86 N +ATOM 2774 CA GLY C 86 2.191 33.319 0.738 1.00 14.91 C +ATOM 2775 C GLY C 86 2.047 34.761 1.108 1.00 14.61 C +ATOM 2776 O GLY C 86 2.754 35.238 1.992 1.00 16.45 O +ATOM 2777 N ALA C 87 1.207 35.492 0.379 1.00 12.95 N +ATOM 2778 CA ALA C 87 0.981 36.919 0.637 1.00 14.05 C +ATOM 2779 C ALA C 87 -0.491 37.187 0.683 1.00 13.82 C +ATOM 2780 O ALA C 87 -1.265 36.563 -0.028 1.00 15.10 O +ATOM 2781 CB ALA C 87 1.633 37.805 -0.435 1.00 17.24 C +ATOM 2782 N ILE C 88 -0.856 38.135 1.537 1.00 13.55 N +ATOM 2783 CA ILE C 88 -2.249 38.439 1.856 1.00 12.56 C +ATOM 2784 C ILE C 88 -2.489 39.937 1.914 1.00 12.94 C +ATOM 2785 O ILE C 88 -1.570 40.722 2.130 1.00 13.10 O +ATOM 2786 CB ILE C 88 -2.677 37.739 3.183 1.00 12.73 C +ATOM 2787 CG1 ILE C 88 -1.808 38.247 4.332 1.00 14.06 C +ATOM 2788 CG2 ILE C 88 -2.629 36.211 3.029 1.00 13.51 C +ATOM 2789 CD1 ILE C 88 -2.232 37.706 5.711 1.00 14.82 C +ATOM 2790 N GLY C 89 -3.746 40.327 1.702 1.00 12.61 N +ATOM 2791 CA GLY C 89 -4.198 41.700 1.828 1.00 13.57 C +ATOM 2792 C GLY C 89 -5.166 41.967 2.974 1.00 13.54 C +ATOM 2793 O GLY C 89 -5.583 43.105 3.177 1.00 14.10 O +ATOM 2794 N AGLU C 90 -5.518 40.936 3.740 0.70 13.49 N +ATOM 2795 N BGLU C 90 -5.504 40.924 3.727 0.30 13.00 N +ATOM 2796 CA AGLU C 90 -6.389 41.041 4.884 0.70 13.91 C +ATOM 2797 CA BGLU C 90 -6.350 41.039 4.888 0.30 12.26 C +ATOM 2798 C AGLU C 90 -6.087 39.843 5.791 0.70 13.13 C +ATOM 2799 C BGLU C 90 -6.056 39.843 5.794 0.30 12.56 C +ATOM 2800 O AGLU C 90 -5.793 38.774 5.280 0.70 13.55 O +ATOM 2801 O BGLU C 90 -5.713 38.774 5.299 0.30 12.69 O +ATOM 2802 CB AGLU C 90 -7.871 41.034 4.494 0.70 14.75 C +ATOM 2803 CB BGLU C 90 -7.828 41.099 4.493 0.30 12.75 C +ATOM 2804 CG AGLU C 90 -8.810 41.327 5.667 0.70 17.72 C +ATOM 2805 CG BGLU C 90 -8.734 41.617 5.610 0.30 12.15 C +ATOM 2806 CD AGLU C 90 -10.279 41.142 5.332 0.70 19.90 C +ATOM 2807 CD BGLU C 90 -10.035 42.223 5.121 0.30 12.25 C +ATOM 2808 OE1AGLU C 90 -10.830 42.001 4.612 0.70 24.91 O +ATOM 2809 OE1BGLU C 90 -11.076 41.967 5.761 0.30 14.07 O +ATOM 2810 OE2AGLU C 90 -10.885 40.141 5.768 0.70 26.07 O +ATOM 2811 OE2BGLU C 90 -10.033 42.954 4.113 0.30 12.50 O +ATOM 2812 N LEU C 91 -6.135 40.052 7.106 1.00 13.32 N +ATOM 2813 CA LEU C 91 -5.854 39.018 8.093 1.00 12.04 C +ATOM 2814 C LEU C 91 -6.725 39.240 9.297 1.00 14.60 C +ATOM 2815 O LEU C 91 -6.811 40.367 9.768 1.00 14.43 O +ATOM 2816 CB LEU C 91 -4.415 39.138 8.600 1.00 12.63 C +ATOM 2817 CG LEU C 91 -3.934 38.199 9.697 1.00 12.93 C +ATOM 2818 CD1 LEU C 91 -3.928 36.781 9.204 1.00 14.65 C +ATOM 2819 CD2 LEU C 91 -2.542 38.653 10.203 1.00 14.07 C +ATOM 2820 N THR C 92 -7.285 38.159 9.823 1.00 13.45 N +ATOM 2821 CA THR C 92 -8.010 38.227 11.078 1.00 13.18 C +ATOM 2822 C THR C 92 -7.428 37.220 12.055 1.00 13.74 C +ATOM 2823 O THR C 92 -7.367 36.050 11.749 1.00 13.44 O +ATOM 2824 CB THR C 92 -9.501 37.981 10.916 1.00 13.14 C +ATOM 2825 OG1 THR C 92 -10.041 38.932 9.983 1.00 14.87 O +ATOM 2826 CG2 THR C 92 -10.226 38.160 12.242 1.00 14.34 C +ATOM 2827 N LEU C 93 -6.979 37.705 13.217 1.00 13.15 N +ATOM 2828 CA LEU C 93 -6.436 36.889 14.257 1.00 12.39 C +ATOM 2829 C LEU C 93 -7.339 36.940 15.476 1.00 13.12 C +ATOM 2830 O LEU C 93 -7.957 37.959 15.704 1.00 14.84 O +ATOM 2831 CB LEU C 93 -5.053 37.425 14.679 1.00 12.90 C +ATOM 2832 CG LEU C 93 -3.961 37.448 13.606 1.00 14.57 C +ATOM 2833 CD1 LEU C 93 -2.698 38.073 14.161 1.00 15.05 C +ATOM 2834 CD2 LEU C 93 -3.688 36.042 13.084 1.00 14.36 C +ATOM 2835 N ARG C 94 -7.368 35.862 16.248 1.00 13.25 N +ATOM 2836 CA ARG C 94 -8.129 35.827 17.477 1.00 13.05 C +ATOM 2837 C ARG C 94 -7.212 35.711 18.668 1.00 14.02 C +ATOM 2838 O ARG C 94 -6.321 34.879 18.662 1.00 14.97 O +ATOM 2839 CB ARG C 94 -9.107 34.659 17.476 1.00 14.13 C +ATOM 2840 CG ARG C 94 -9.863 34.480 18.805 1.00 14.27 C +ATOM 2841 CD ARG C 94 -10.969 33.488 18.694 1.00 14.88 C +ATOM 2842 NE ARG C 94 -12.052 34.060 17.936 1.00 14.59 N +ATOM 2843 CZ ARG C 94 -13.115 33.421 17.485 1.00 16.72 C +ATOM 2844 NH1 ARG C 94 -13.263 32.138 17.685 1.00 19.97 N +ATOM 2845 NH2 ARG C 94 -14.002 34.099 16.803 1.00 16.35 N +ATOM 2846 N PHE C 95 -7.461 36.523 19.695 1.00 13.62 N +ATOM 2847 CA PHE C 95 -6.722 36.445 20.943 1.00 14.58 C +ATOM 2848 C PHE C 95 -7.727 36.114 22.043 1.00 15.42 C +ATOM 2849 O PHE C 95 -8.599 36.907 22.382 1.00 16.66 O +ATOM 2850 CB PHE C 95 -5.944 37.726 21.274 1.00 16.51 C +ATOM 2851 CG PHE C 95 -4.991 37.519 22.394 1.00 14.40 C +ATOM 2852 CD1 PHE C 95 -3.750 36.967 22.136 1.00 16.62 C +ATOM 2853 CD2 PHE C 95 -5.362 37.776 23.697 1.00 18.90 C +ATOM 2854 CE1 PHE C 95 -2.875 36.716 23.192 1.00 16.96 C +ATOM 2855 CE2 PHE C 95 -4.488 37.527 24.751 1.00 18.75 C +ATOM 2856 CZ PHE C 95 -3.270 36.986 24.482 1.00 17.41 C +ATOM 2857 N PHE C 96 -7.531 34.949 22.638 1.00 15.85 N +ATOM 2858 CA PHE C 96 -8.444 34.393 23.659 1.00 15.04 C +ATOM 2859 C PHE C 96 -7.859 34.577 25.038 1.00 15.26 C +ATOM 2860 O PHE C 96 -6.714 34.247 25.278 1.00 17.56 O +ATOM 2861 CB PHE C 96 -8.685 32.909 23.377 1.00 16.01 C +ATOM 2862 CG PHE C 96 -9.480 32.185 24.433 1.00 17.41 C +ATOM 2863 CD1 PHE C 96 -10.807 32.435 24.598 1.00 19.09 C +ATOM 2864 CD2 PHE C 96 -8.908 31.205 25.214 1.00 17.24 C +ATOM 2865 CE1 PHE C 96 -11.557 31.741 25.521 1.00 23.21 C +ATOM 2866 CE2 PHE C 96 -9.657 30.510 26.128 1.00 16.54 C +ATOM 2867 CZ PHE C 96 -10.973 30.778 26.287 1.00 19.73 C +ATOM 2868 N ASN C 97 -8.675 35.104 25.946 1.00 14.85 N +ATOM 2869 CA ASN C 97 -8.289 35.319 27.335 1.00 16.95 C +ATOM 2870 C ASN C 97 -8.876 34.195 28.176 1.00 17.48 C +ATOM 2871 O ASN C 97 -10.079 34.181 28.442 1.00 18.02 O +ATOM 2872 CB ASN C 97 -8.826 36.652 27.817 1.00 18.95 C +ATOM 2873 CG ASN C 97 -8.380 36.992 29.230 1.00 24.49 C +ATOM 2874 OD1 ASN C 97 -8.116 36.102 30.053 1.00 28.71 O +ATOM 2875 ND2 ASN C 97 -8.328 38.298 29.539 1.00 23.75 N +ATOM 2876 N PRO C 98 -8.050 33.226 28.596 1.00 17.48 N +ATOM 2877 CA PRO C 98 -8.597 32.114 29.373 1.00 19.24 C +ATOM 2878 C PRO C 98 -9.187 32.490 30.724 1.00 20.35 C +ATOM 2879 O PRO C 98 -10.019 31.739 31.230 1.00 24.12 O +ATOM 2880 CB PRO C 98 -7.396 31.182 29.597 1.00 20.03 C +ATOM 2881 CG PRO C 98 -6.245 31.834 29.065 1.00 22.29 C +ATOM 2882 CD PRO C 98 -6.601 33.101 28.376 1.00 19.56 C +ATOM 2883 N LYS C 99 -8.783 33.612 31.300 1.00 19.09 N +ATOM 2884 CA LYS C 99 -9.297 33.999 32.618 1.00 22.86 C +ATOM 2885 C LYS C 99 -10.755 34.415 32.521 1.00 23.69 C +ATOM 2886 O LYS C 99 -11.598 33.939 33.278 1.00 26.68 O +ATOM 2887 CB LYS C 99 -8.466 35.128 33.231 1.00 23.97 C +ATOM 2888 N THR C 100 -11.052 35.304 31.591 1.00 20.94 N +ATOM 2889 CA THR C 100 -12.399 35.859 31.482 1.00 18.25 C +ATOM 2890 C THR C 100 -13.255 35.200 30.397 1.00 17.42 C +ATOM 2891 O THR C 100 -14.470 35.444 30.334 1.00 18.45 O +ATOM 2892 CB THR C 100 -12.309 37.336 31.153 1.00 18.09 C +ATOM 2893 OG1 THR C 100 -11.706 37.477 29.868 1.00 16.38 O +ATOM 2894 CG2 THR C 100 -11.484 38.089 32.198 1.00 18.01 C +ATOM 2895 N LYS C 101 -12.615 34.429 29.512 1.00 16.37 N +ATOM 2896 CA LYS C 101 -13.238 33.832 28.340 1.00 17.34 C +ATOM 2897 C LYS C 101 -13.606 34.853 27.280 1.00 15.45 C +ATOM 2898 O LYS C 101 -14.263 34.507 26.321 1.00 16.88 O +ATOM 2899 CB LYS C 101 -14.471 32.969 28.675 1.00 20.55 C +ATOM 2900 CG LYS C 101 -14.274 31.989 29.830 1.00 24.42 C +ATOM 2901 CD LYS C 101 -13.177 30.983 29.569 1.00 26.45 C +ATOM 2902 CE LYS C 101 -13.023 30.047 30.780 1.00 30.54 C +ATOM 2903 NZ LYS C 101 -12.603 30.789 32.040 1.00 36.43 N +ATOM 2904 N ALA C 102 -13.142 36.096 27.413 1.00 15.17 N +ATOM 2905 CA ALA C 102 -13.260 37.076 26.355 1.00 13.47 C +ATOM 2906 C ALA C 102 -12.348 36.707 25.214 1.00 15.29 C +ATOM 2907 O ALA C 102 -11.288 36.099 25.410 1.00 17.97 O +ATOM 2908 CB ALA C 102 -12.828 38.446 26.883 1.00 12.72 C +ATOM 2909 N TYR C 103 -12.736 37.092 24.010 1.00 13.79 N +ATOM 2910 CA TYR C 103 -11.913 36.848 22.846 1.00 14.39 C +ATOM 2911 C TYR C 103 -11.975 38.062 21.954 1.00 14.81 C +ATOM 2912 O TYR C 103 -12.998 38.727 21.848 1.00 15.63 O +ATOM 2913 CB TYR C 103 -12.310 35.561 22.130 1.00 15.75 C +ATOM 2914 CG TYR C 103 -13.705 35.502 21.584 1.00 15.21 C +ATOM 2915 CD1 TYR C 103 -14.762 35.065 22.353 1.00 15.26 C +ATOM 2916 CD2 TYR C 103 -13.973 35.889 20.272 1.00 16.63 C +ATOM 2917 CE1 TYR C 103 -16.034 35.012 21.827 1.00 16.82 C +ATOM 2918 CE2 TYR C 103 -15.241 35.811 19.731 1.00 17.48 C +ATOM 2919 CZ TYR C 103 -16.268 35.375 20.522 1.00 17.06 C +ATOM 2920 OH TYR C 103 -17.548 35.301 20.026 1.00 20.07 O +ATOM 2921 N ASP C 104 -10.842 38.363 21.337 1.00 13.35 N +ATOM 2922 CA ASP C 104 -10.664 39.593 20.551 1.00 15.86 C +ATOM 2923 C ASP C 104 -10.294 39.164 19.147 1.00 15.97 C +ATOM 2924 O ASP C 104 -9.308 38.455 18.973 1.00 16.18 O +ATOM 2925 CB ASP C 104 -9.518 40.413 21.195 1.00 16.73 C +ATOM 2926 CG ASP C 104 -9.432 41.819 20.733 1.00 24.89 C +ATOM 2927 OD1 ASP C 104 -10.321 42.285 20.017 1.00 16.81 O +ATOM 2928 OD2 ASP C 104 -8.502 42.547 21.192 1.00 25.52 O +ATOM 2929 N ASP C 105 -11.045 39.605 18.142 1.00 13.68 N +ATOM 2930 CA ASP C 105 -10.777 39.255 16.745 1.00 14.93 C +ATOM 2931 C ASP C 105 -10.317 40.527 16.061 1.00 14.41 C +ATOM 2932 O ASP C 105 -11.115 41.455 15.869 1.00 14.48 O +ATOM 2933 CB ASP C 105 -12.018 38.710 16.051 1.00 15.84 C +ATOM 2934 CG ASP C 105 -12.470 37.371 16.592 1.00 16.45 C +ATOM 2935 OD1 ASP C 105 -11.739 36.764 17.389 1.00 14.87 O +ATOM 2936 OD2 ASP C 105 -13.561 36.911 16.174 1.00 16.98 O +ATOM 2937 N LYS C 106 -9.042 40.584 15.672 1.00 13.26 N +ATOM 2938 CA LYS C 106 -8.514 41.780 15.037 1.00 14.84 C +ATOM 2939 C LYS C 106 -8.260 41.518 13.561 1.00 13.24 C +ATOM 2940 O LYS C 106 -7.588 40.560 13.199 1.00 13.80 O +ATOM 2941 CB LYS C 106 -7.228 42.247 15.716 1.00 15.31 C +ATOM 2942 CG LYS C 106 -6.750 43.593 15.169 1.00 14.74 C +ATOM 2943 CD LYS C 106 -5.743 44.264 16.075 1.00 15.70 C +ATOM 2944 CE LYS C 106 -5.406 45.602 15.506 1.00 16.77 C +ATOM 2945 NZ LYS C 106 -4.397 46.394 16.367 1.00 20.34 N +ATOM 2946 N THR C 107 -8.769 42.430 12.735 1.00 12.15 N +ATOM 2947 CA THR C 107 -8.638 42.419 11.281 1.00 13.28 C +ATOM 2948 C THR C 107 -7.712 43.534 10.819 1.00 14.18 C +ATOM 2949 O THR C 107 -7.931 44.712 11.110 1.00 14.59 O +ATOM 2950 CB THR C 107 -9.988 42.524 10.602 1.00 14.63 C +ATOM 2951 OG1 THR C 107 -10.786 41.399 10.981 1.00 14.79 O +ATOM 2952 CG2 THR C 107 -9.830 42.546 9.067 1.00 13.48 C +ATOM 2953 N PHE C 108 -6.652 43.120 10.126 1.00 13.58 N +ATOM 2954 CA PHE C 108 -5.654 43.978 9.528 1.00 14.72 C +ATOM 2955 C PHE C 108 -5.963 44.065 8.028 1.00 14.59 C +ATOM 2956 O PHE C 108 -6.239 43.039 7.418 1.00 14.36 O +ATOM 2957 CB PHE C 108 -4.266 43.387 9.770 1.00 15.00 C +ATOM 2958 CG PHE C 108 -3.901 43.250 11.221 1.00 13.92 C +ATOM 2959 CD1 PHE C 108 -4.207 42.117 11.913 1.00 13.67 C +ATOM 2960 CD2 PHE C 108 -3.248 44.277 11.873 1.00 15.29 C +ATOM 2961 CE1 PHE C 108 -3.858 41.987 13.247 1.00 15.80 C +ATOM 2962 CE2 PHE C 108 -2.899 44.160 13.215 1.00 16.83 C +ATOM 2963 CZ PHE C 108 -3.230 43.010 13.894 1.00 15.19 C +ATOM 2964 N ARG C 109 -5.922 45.279 7.470 1.00 13.62 N +ATOM 2965 CA ARG C 109 -6.297 45.551 6.092 1.00 12.99 C +ATOM 2966 C ARG C 109 -5.120 46.277 5.479 1.00 13.75 C +ATOM 2967 O ARG C 109 -5.048 47.518 5.451 1.00 16.03 O +ATOM 2968 CB ARG C 109 -7.598 46.375 6.065 1.00 13.84 C +ATOM 2969 CG ARG C 109 -8.772 45.571 6.642 1.00 15.97 C +ATOM 2970 CD ARG C 109 -10.083 46.275 6.468 1.00 15.87 C +ATOM 2971 NE ARG C 109 -10.165 47.436 7.330 1.00 15.92 N +ATOM 2972 CZ ARG C 109 -11.187 48.283 7.330 1.00 15.43 C +ATOM 2973 NH1 ARG C 109 -12.208 48.119 6.504 1.00 19.58 N +ATOM 2974 NH2 ARG C 109 -11.185 49.307 8.159 1.00 14.23 N +ATOM 2975 N GLU C 110 -4.164 45.480 5.010 1.00 14.30 N +ATOM 2976 CA GLU C 110 -2.895 45.963 4.498 1.00 14.92 C +ATOM 2977 C GLU C 110 -2.189 44.788 3.869 1.00 13.71 C +ATOM 2978 O GLU C 110 -2.619 43.647 4.025 1.00 14.02 O +ATOM 2979 CB GLU C 110 -2.057 46.490 5.656 1.00 14.82 C +ATOM 2980 CG GLU C 110 -1.727 45.406 6.686 1.00 13.98 C +ATOM 2981 CD GLU C 110 -1.105 45.992 7.926 1.00 19.24 C +ATOM 2982 OE1 GLU C 110 -1.856 46.478 8.796 1.00 18.69 O +ATOM 2983 OE2 GLU C 110 0.138 45.987 8.007 1.00 15.96 O +ATOM 2984 N GLN C 111 -1.131 45.040 3.111 1.00 14.31 N +ATOM 2985 CA GLN C 111 -0.399 43.952 2.490 1.00 13.57 C +ATOM 2986 C GLN C 111 0.547 43.330 3.484 1.00 11.95 C +ATOM 2987 O GLN C 111 1.258 44.043 4.190 1.00 13.67 O +ATOM 2988 CB GLN C 111 0.389 44.490 1.288 1.00 13.28 C +ATOM 2989 CG GLN C 111 1.052 43.454 0.401 1.00 14.89 C +ATOM 2990 CD GLN C 111 0.061 42.518 -0.290 1.00 14.91 C +ATOM 2991 OE1 GLN C 111 -1.134 42.836 -0.405 1.00 16.30 O +ATOM 2992 NE2 GLN C 111 0.554 41.386 -0.774 1.00 15.00 N +HETATM 2993 N MSE C 112 0.573 42.005 3.548 1.00 12.45 N +HETATM 2994 CA MSE C 112 1.405 41.258 4.473 1.00 14.01 C +HETATM 2995 C MSE C 112 1.940 40.012 3.801 1.00 13.67 C +HETATM 2996 O MSE C 112 1.318 39.477 2.896 1.00 14.34 O +HETATM 2997 CB MSE C 112 0.607 40.856 5.720 1.00 14.25 C +HETATM 2998 CG MSE C 112 0.168 42.001 6.580 1.00 13.67 C +HETATM 2999 SE MSE C 112 -1.267 41.618 7.808 0.75 12.21 SE +HETATM 3000 CE MSE C 112 -2.720 41.548 6.486 1.00 16.11 C +ATOM 3001 N GLU C 113 3.106 39.578 4.241 1.00 13.75 N +ATOM 3002 CA GLU C 113 3.655 38.310 3.833 1.00 13.09 C +ATOM 3003 C GLU C 113 3.440 37.270 4.930 1.00 13.12 C +ATOM 3004 O GLU C 113 3.731 37.522 6.090 1.00 14.57 O +ATOM 3005 CB GLU C 113 5.152 38.420 3.550 1.00 15.98 C +ATOM 3006 CG GLU C 113 5.457 39.190 2.289 1.00 17.30 C +ATOM 3007 CD GLU C 113 5.089 38.483 0.991 1.00 20.42 C +ATOM 3008 OE1 GLU C 113 4.725 37.284 1.015 1.00 20.16 O +ATOM 3009 OE2 GLU C 113 5.113 39.163 -0.082 1.00 21.02 O +ATOM 3010 N ILE C 114 2.914 36.095 4.594 1.00 13.62 N +ATOM 3011 CA ILE C 114 2.822 35.018 5.530 1.00 13.14 C +ATOM 3012 C ILE C 114 4.188 34.368 5.663 1.00 14.17 C +ATOM 3013 O ILE C 114 4.620 33.699 4.738 1.00 14.25 O +ATOM 3014 CB ILE C 114 1.822 33.953 5.058 1.00 14.45 C +ATOM 3015 CG1 ILE C 114 0.427 34.545 4.858 1.00 14.71 C +ATOM 3016 CG2 ILE C 114 1.794 32.813 6.086 1.00 15.26 C +ATOM 3017 CD1 ILE C 114 -0.542 33.520 4.169 1.00 15.68 C +ATOM 3018 N SER C 115 4.869 34.585 6.786 1.00 13.95 N +ATOM 3019 CA SER C 115 6.178 33.954 6.943 1.00 12.72 C +ATOM 3020 C SER C 115 6.048 32.514 7.362 1.00 13.05 C +ATOM 3021 O SER C 115 6.917 31.711 7.049 1.00 14.20 O +ATOM 3022 CB SER C 115 7.050 34.718 7.910 1.00 15.03 C +ATOM 3023 OG SER C 115 6.527 34.762 9.223 1.00 15.01 O +ATOM 3024 N ASN C 116 4.952 32.168 8.024 1.00 14.68 N +ATOM 3025 CA ASN C 116 4.670 30.798 8.337 1.00 13.78 C +ATOM 3026 C ASN C 116 3.210 30.669 8.703 1.00 14.52 C +ATOM 3027 O ASN C 116 2.708 31.435 9.460 1.00 15.23 O +ATOM 3028 CB ASN C 116 5.536 30.356 9.534 1.00 15.14 C +ATOM 3029 CG ASN C 116 5.209 29.006 10.027 1.00 20.15 C +ATOM 3030 OD1 ASN C 116 4.239 28.824 10.753 1.00 23.32 O +ATOM 3031 ND2 ASN C 116 5.990 28.030 9.626 1.00 28.86 N +ATOM 3032 N LEU C 117 2.546 29.675 8.122 1.00 16.29 N +ATOM 3033 CA LEU C 117 1.220 29.237 8.584 1.00 15.55 C +ATOM 3034 C LEU C 117 1.460 27.807 9.036 1.00 16.99 C +ATOM 3035 O LEU C 117 2.038 27.017 8.291 1.00 19.03 O +ATOM 3036 CB LEU C 117 0.207 29.313 7.483 1.00 16.43 C +ATOM 3037 CG LEU C 117 -1.241 28.913 7.822 1.00 18.84 C +ATOM 3038 CD1 LEU C 117 -2.180 29.638 6.883 1.00 19.18 C +ATOM 3039 CD2 LEU C 117 -1.423 27.385 7.726 1.00 24.21 C +ATOM 3040 N ATHR C 118 1.124 27.512 10.306 0.34 15.50 N +ATOM 3041 N BTHR C 118 1.101 27.512 10.284 0.33 18.99 N +ATOM 3042 N CTHR C 118 0.972 27.469 10.200 0.33 15.40 N +ATOM 3043 CA ATHR C 118 1.318 26.193 10.978 0.34 14.84 C +ATOM 3044 CA BTHR C 118 1.221 26.176 10.871 0.33 19.85 C +ATOM 3045 CA CTHR C 118 1.134 26.111 10.593 0.33 14.02 C +ATOM 3046 C ATHR C 118 -0.020 25.709 11.550 0.34 14.90 C +ATOM 3047 C BTHR C 118 -0.131 25.764 11.377 0.33 17.85 C +ATOM 3048 C CTHR C 118 0.002 25.691 11.500 0.33 14.50 C +ATOM 3049 O ATHR C 118 -0.649 26.427 12.323 0.34 13.78 O +ATOM 3050 O BTHR C 118 -0.875 26.583 11.902 0.33 16.60 O +ATOM 3051 O CTHR C 118 -0.434 26.404 12.404 0.33 13.89 O +ATOM 3052 CB ATHR C 118 2.328 26.260 12.182 0.34 15.26 C +ATOM 3053 CB BTHR C 118 2.123 26.142 12.105 0.33 20.95 C +ATOM 3054 CB CTHR C 118 2.494 25.872 11.195 0.33 11.68 C +ATOM 3055 OG1ATHR C 118 3.587 26.822 11.775 0.34 12.98 O +ATOM 3056 OG1BTHR C 118 1.799 27.235 12.963 0.33 27.44 O +ATOM 3057 OG1CTHR C 118 2.644 24.473 11.385 0.33 12.45 O +ATOM 3058 CG2ATHR C 118 2.587 24.844 12.803 0.34 10.78 C +ATOM 3059 CG2BTHR C 118 3.571 26.223 11.723 0.33 24.02 C +ATOM 3060 CG2CTHR C 118 2.650 26.586 12.529 0.33 10.05 C +ATOM 3061 N GLY C 119 -0.471 24.496 11.212 1.00 15.19 N +ATOM 3062 CA GLY C 119 -1.668 24.013 11.793 1.00 18.41 C +ATOM 3063 C GLY C 119 -1.873 22.559 11.618 1.00 15.50 C +ATOM 3064 O GLY C 119 -1.032 21.857 11.067 1.00 15.67 O +ATOM 3065 N ASN C 120 -3.015 22.139 12.124 1.00 13.64 N +ATOM 3066 CA ASN C 120 -3.349 20.726 12.111 1.00 13.79 C +ATOM 3067 C ASN C 120 -4.794 20.508 11.740 1.00 14.47 C +ATOM 3068 O ASN C 120 -5.625 21.437 11.774 1.00 14.29 O +ATOM 3069 CB ASN C 120 -2.941 20.094 13.452 1.00 15.01 C +ATOM 3070 CG ASN C 120 -3.569 20.741 14.643 1.00 16.25 C +ATOM 3071 OD1 ASN C 120 -4.792 20.842 14.707 1.00 16.58 O +ATOM 3072 ND2 ASN C 120 -2.747 21.155 15.637 1.00 16.37 N +ATOM 3073 N ILE C 121 -5.064 19.269 11.346 1.00 15.81 N +ATOM 3074 CA ILE C 121 -6.360 18.800 10.890 1.00 14.51 C +ATOM 3075 C ILE C 121 -6.773 17.663 11.804 1.00 14.83 C +ATOM 3076 O ILE C 121 -5.952 16.795 12.134 1.00 15.57 O +ATOM 3077 CB ILE C 121 -6.280 18.286 9.447 1.00 15.56 C +ATOM 3078 CG1 ILE C 121 -5.654 19.304 8.494 1.00 15.93 C +ATOM 3079 CG2 ILE C 121 -7.677 17.849 8.921 1.00 15.36 C +ATOM 3080 CD1 ILE C 121 -5.149 18.735 7.208 1.00 16.00 C +ATOM 3081 N SER C 122 -8.039 17.660 12.191 1.00 15.40 N +ATOM 3082 CA SER C 122 -8.627 16.627 13.021 1.00 16.22 C +ATOM 3083 C SER C 122 -10.122 16.651 12.726 1.00 16.65 C +ATOM 3084 O SER C 122 -10.533 17.250 11.726 1.00 15.68 O +ATOM 3085 CB SER C 122 -8.293 16.894 14.478 1.00 17.30 C +ATOM 3086 OG SER C 122 -8.726 18.176 14.906 1.00 16.91 O +ATOM 3087 N SER C 123 -10.931 15.990 13.539 1.00 16.24 N +ATOM 3088 CA SER C 123 -12.347 16.075 13.322 1.00 14.54 C +ATOM 3089 C SER C 123 -13.099 16.127 14.621 1.00 15.48 C +ATOM 3090 O SER C 123 -12.591 15.743 15.676 1.00 17.64 O +ATOM 3091 CB SER C 123 -12.830 14.874 12.507 1.00 17.74 C +ATOM 3092 OG SER C 123 -12.616 13.677 13.217 1.00 21.57 O +HETATM 3093 N MSE C 124 -14.314 16.637 14.505 1.00 16.11 N +HETATM 3094 CA MSE C 124 -15.310 16.545 15.579 1.00 19.07 C +HETATM 3095 C MSE C 124 -16.611 16.124 14.933 1.00 18.29 C +HETATM 3096 O MSE C 124 -17.086 16.802 14.021 1.00 18.32 O +HETATM 3097 CB MSE C 124 -15.486 17.869 16.281 1.00 20.31 C +HETATM 3098 CG MSE C 124 -14.230 18.281 16.989 1.00 17.03 C +HETATM 3099 SE MSE C 124 -14.477 19.828 18.190 0.75 18.46 SE +HETATM 3100 CE MSE C 124 -15.385 19.006 19.510 1.00 20.17 C +ATOM 3101 N ASN C 125 -17.157 15.002 15.386 1.00 20.99 N +ATOM 3102 CA ASN C 125 -18.413 14.458 14.834 1.00 21.87 C +ATOM 3103 C ASN C 125 -18.304 14.289 13.335 1.00 20.33 C +ATOM 3104 O ASN C 125 -19.209 14.653 12.595 1.00 19.62 O +ATOM 3105 CB ASN C 125 -19.594 15.369 15.191 1.00 25.63 C +ATOM 3106 CG ASN C 125 -19.684 15.631 16.681 1.00 33.83 C +ATOM 3107 OD1 ASN C 125 -19.706 16.787 17.118 1.00 46.52 O +ATOM 3108 ND2 ASN C 125 -19.675 14.555 17.476 1.00 35.06 N +ATOM 3109 N GLU C 126 -17.151 13.776 12.902 1.00 17.07 N +ATOM 3110 CA GLU C 126 -16.801 13.589 11.483 1.00 16.23 C +ATOM 3111 C GLU C 126 -16.597 14.867 10.665 1.00 17.87 C +ATOM 3112 O GLU C 126 -16.282 14.795 9.477 1.00 19.00 O +ATOM 3113 CB GLU C 126 -17.814 12.684 10.741 1.00 15.95 C +ATOM 3114 CG GLU C 126 -17.997 11.321 11.300 1.00 17.92 C +ATOM 3115 CD GLU C 126 -18.973 10.551 10.464 1.00 17.33 C +ATOM 3116 OE1 GLU C 126 -18.680 10.233 9.280 1.00 15.93 O +ATOM 3117 OE2 GLU C 126 -20.071 10.264 10.964 1.00 18.01 O +ATOM 3118 N GLN C 127 -16.710 16.042 11.278 1.00 15.72 N +ATOM 3119 CA GLN C 127 -16.551 17.267 10.552 1.00 16.37 C +ATOM 3120 C GLN C 127 -15.105 17.731 10.656 1.00 15.91 C +ATOM 3121 O GLN C 127 -14.526 17.692 11.745 1.00 16.31 O +ATOM 3122 CB GLN C 127 -17.525 18.306 11.094 1.00 18.93 C +ATOM 3123 CG GLN C 127 -18.964 17.798 11.056 1.00 23.09 C +ATOM 3124 CD GLN C 127 -19.968 18.852 11.399 1.00 25.19 C +ATOM 3125 OE1 GLN C 127 -19.751 19.650 12.308 1.00 27.97 O +ATOM 3126 NE2 GLN C 127 -21.097 18.853 10.687 1.00 29.83 N +ATOM 3127 N AVAL C 128 -14.535 18.135 9.525 0.60 14.64 N +ATOM 3128 N BVAL C 128 -14.523 18.148 9.540 0.40 16.01 N +ATOM 3129 CA AVAL C 128 -13.184 18.720 9.465 0.60 15.37 C +ATOM 3130 CA BVAL C 128 -13.127 18.574 9.548 0.40 16.89 C +ATOM 3131 C AVAL C 128 -13.033 19.775 10.558 0.60 14.95 C +ATOM 3132 C BVAL C 128 -12.939 19.814 10.435 0.40 16.26 C +ATOM 3133 O AVAL C 128 -13.945 20.583 10.777 0.60 14.73 O +ATOM 3134 O BVAL C 128 -13.699 20.795 10.357 0.40 15.73 O +ATOM 3135 CB AVAL C 128 -12.887 19.364 8.083 0.60 14.22 C +ATOM 3136 CB BVAL C 128 -12.567 18.808 8.129 0.40 17.19 C +ATOM 3137 CG1AVAL C 128 -11.580 20.214 8.116 0.60 18.07 C +ATOM 3138 CG1BVAL C 128 -13.087 20.104 7.527 0.40 16.48 C +ATOM 3139 CG2AVAL C 128 -12.841 18.283 6.974 0.60 16.04 C +ATOM 3140 CG2BVAL C 128 -11.053 18.798 8.179 0.40 18.86 C +ATOM 3141 N TYR C 129 -11.911 19.733 11.274 1.00 15.87 N +ATOM 3142 CA TYR C 129 -11.589 20.730 12.273 1.00 15.54 C +ATOM 3143 C TYR C 129 -10.176 21.170 11.995 1.00 15.62 C +ATOM 3144 O TYR C 129 -9.249 20.363 12.109 1.00 15.24 O +ATOM 3145 CB TYR C 129 -11.695 20.137 13.686 1.00 16.84 C +ATOM 3146 CG TYR C 129 -11.629 21.160 14.776 1.00 18.89 C +ATOM 3147 CD1 TYR C 129 -10.413 21.689 15.185 1.00 20.51 C +ATOM 3148 CD2 TYR C 129 -12.779 21.597 15.402 1.00 20.43 C +ATOM 3149 CE1 TYR C 129 -10.338 22.634 16.198 1.00 19.00 C +ATOM 3150 CE2 TYR C 129 -12.734 22.549 16.420 1.00 23.17 C +ATOM 3151 CZ TYR C 129 -11.511 23.070 16.817 1.00 21.13 C +ATOM 3152 OH TYR C 129 -11.440 24.019 17.821 1.00 23.54 O +ATOM 3153 N ALEU C 130 -10.023 22.445 11.646 0.60 14.89 N +ATOM 3154 N BLEU C 130 -9.992 22.433 11.608 0.40 14.62 N +ATOM 3155 CA ALEU C 130 -8.713 23.039 11.449 0.60 15.66 C +ATOM 3156 CA BLEU C 130 -8.654 22.981 11.331 0.40 14.82 C +ATOM 3157 C ALEU C 130 -8.352 23.882 12.652 0.60 15.05 C +ATOM 3158 C BLEU C 130 -8.249 23.995 12.411 0.40 14.98 C +ATOM 3159 O ALEU C 130 -9.194 24.585 13.238 0.60 15.19 O +ATOM 3160 O BLEU C 130 -8.955 24.974 12.632 0.40 15.25 O +ATOM 3161 CB ALEU C 130 -8.675 23.898 10.196 0.60 16.04 C +ATOM 3162 CB BLEU C 130 -8.591 23.616 9.933 0.40 13.98 C +ATOM 3163 CG ALEU C 130 -9.059 23.199 8.908 0.60 14.40 C +ATOM 3164 CG BLEU C 130 -8.299 22.692 8.748 0.40 14.30 C +ATOM 3165 CD1ALEU C 130 -8.777 24.163 7.753 0.60 17.96 C +ATOM 3166 CD1BLEU C 130 -9.372 21.619 8.576 0.40 15.53 C +ATOM 3167 CD2ALEU C 130 -8.316 21.895 8.694 0.60 16.82 C +ATOM 3168 CD2BLEU C 130 -8.156 23.519 7.462 0.40 15.17 C +ATOM 3169 N HIS C 131 -7.095 23.766 13.047 1.00 14.02 N +ATOM 3170 CA HIS C 131 -6.523 24.632 14.069 1.00 14.84 C +ATOM 3171 C HIS C 131 -5.263 25.208 13.443 1.00 14.56 C +ATOM 3172 O HIS C 131 -4.266 24.507 13.284 1.00 13.66 O +ATOM 3173 CB HIS C 131 -6.223 23.843 15.340 1.00 15.57 C +ATOM 3174 CG HIS C 131 -5.799 24.688 16.490 1.00 17.48 C +ATOM 3175 ND1 HIS C 131 -5.190 24.152 17.602 1.00 17.43 N +ATOM 3176 CD2 HIS C 131 -5.852 26.026 16.692 1.00 16.81 C +ATOM 3177 CE1 HIS C 131 -4.910 25.125 18.456 1.00 22.09 C +ATOM 3178 NE2 HIS C 131 -5.336 26.268 17.945 1.00 19.50 N +ATOM 3179 N LEU C 132 -5.321 26.492 13.085 1.00 13.66 N +ATOM 3180 CA LEU C 132 -4.272 27.140 12.311 1.00 12.90 C +ATOM 3181 C LEU C 132 -3.760 28.383 13.032 1.00 12.70 C +ATOM 3182 O LEU C 132 -4.550 29.215 13.490 1.00 13.48 O +ATOM 3183 CB LEU C 132 -4.796 27.579 10.959 1.00 14.97 C +ATOM 3184 CG LEU C 132 -5.553 26.523 10.129 1.00 13.72 C +ATOM 3185 CD1 LEU C 132 -5.992 27.184 8.830 1.00 18.88 C +ATOM 3186 CD2 LEU C 132 -4.714 25.300 9.858 1.00 18.72 C +ATOM 3187 N HIS C 133 -2.451 28.479 13.136 1.00 13.40 N +ATOM 3188 CA HIS C 133 -1.802 29.691 13.637 1.00 13.88 C +ATOM 3189 C HIS C 133 -0.958 30.264 12.505 1.00 14.35 C +ATOM 3190 O HIS C 133 -0.682 29.599 11.487 1.00 14.08 O +ATOM 3191 CB HIS C 133 -0.948 29.426 14.865 1.00 13.96 C +ATOM 3192 CG HIS C 133 -1.738 29.186 16.125 1.00 14.05 C +ATOM 3193 ND1 HIS C 133 -1.135 29.220 17.364 1.00 15.14 N +ATOM 3194 CD2 HIS C 133 -3.039 28.895 16.350 1.00 15.03 C +ATOM 3195 CE1 HIS C 133 -2.038 28.977 18.300 1.00 15.85 C +ATOM 3196 NE2 HIS C 133 -3.207 28.792 17.718 1.00 14.83 N +ATOM 3197 N ILE C 134 -0.529 31.499 12.690 1.00 13.60 N +ATOM 3198 CA ILE C 134 0.139 32.193 11.620 1.00 13.88 C +ATOM 3199 C ILE C 134 1.074 33.252 12.145 1.00 14.73 C +ATOM 3200 O ILE C 134 0.865 33.823 13.219 1.00 13.76 O +ATOM 3201 CB ILE C 134 -0.904 32.814 10.627 1.00 13.47 C +ATOM 3202 CG1 ILE C 134 -0.308 33.175 9.252 1.00 13.93 C +ATOM 3203 CG2 ILE C 134 -1.608 34.043 11.269 1.00 14.16 C +ATOM 3204 CD1 ILE C 134 -1.406 33.609 8.242 1.00 14.38 C +ATOM 3205 N THR C 135 2.127 33.480 11.369 1.00 13.47 N +ATOM 3206 CA THR C 135 3.056 34.574 11.590 1.00 13.28 C +ATOM 3207 C THR C 135 3.110 35.331 10.279 1.00 13.77 C +ATOM 3208 O THR C 135 3.275 34.722 9.214 1.00 13.03 O +ATOM 3209 CB THR C 135 4.456 34.085 11.911 1.00 12.62 C +ATOM 3210 OG1 THR C 135 4.394 33.115 12.986 1.00 14.87 O +ATOM 3211 CG2 THR C 135 5.358 35.218 12.302 1.00 14.38 C +ATOM 3212 N VAL C 136 2.971 36.648 10.319 1.00 12.84 N +ATOM 3213 CA VAL C 136 3.051 37.462 9.118 1.00 13.86 C +ATOM 3214 C VAL C 136 4.001 38.628 9.320 1.00 12.99 C +ATOM 3215 O VAL C 136 4.279 39.043 10.461 1.00 14.28 O +ATOM 3216 CB VAL C 136 1.670 38.036 8.684 1.00 15.22 C +ATOM 3217 CG1 VAL C 136 0.646 36.908 8.471 1.00 14.06 C +ATOM 3218 CG2 VAL C 136 1.148 39.071 9.700 1.00 15.97 C +ATOM 3219 N GLY C 137 4.524 39.132 8.208 1.00 12.63 N +ATOM 3220 CA GLY C 137 5.295 40.361 8.200 1.00 11.60 C +ATOM 3221 C GLY C 137 4.553 41.486 7.526 1.00 13.52 C +ATOM 3222 O GLY C 137 3.914 41.282 6.492 1.00 14.24 O +ATOM 3223 N ARG C 138 4.611 42.662 8.125 1.00 12.76 N +ATOM 3224 CA ARG C 138 4.001 43.842 7.549 1.00 13.23 C +ATOM 3225 C ARG C 138 4.982 44.502 6.596 1.00 13.65 C +ATOM 3226 O ARG C 138 6.123 44.030 6.404 1.00 13.43 O +ATOM 3227 CB ARG C 138 3.650 44.781 8.700 1.00 13.39 C +ATOM 3228 CG ARG C 138 2.751 44.126 9.755 1.00 14.74 C +ATOM 3229 CD ARG C 138 2.437 45.033 10.900 1.00 14.69 C +ATOM 3230 NE ARG C 138 1.218 45.802 10.660 1.00 14.29 N +ATOM 3231 CZ ARG C 138 0.508 46.382 11.622 1.00 15.28 C +ATOM 3232 NH1 ARG C 138 0.928 46.428 12.863 1.00 16.23 N +ATOM 3233 NH2 ARG C 138 -0.624 46.994 11.323 1.00 16.08 N +ATOM 3234 N SER C 139 4.606 45.650 6.015 1.00 14.49 N +ATOM 3235 CA SER C 139 5.464 46.344 5.066 1.00 14.63 C +ATOM 3236 C SER C 139 6.719 46.904 5.678 1.00 15.41 C +ATOM 3237 O SER C 139 7.692 47.154 4.959 1.00 17.26 O +ATOM 3238 CB SER C 139 4.673 47.462 4.375 1.00 17.25 C +ATOM 3239 OG SER C 139 4.335 48.469 5.312 1.00 16.39 O +ATOM 3240 N ASP C 140 6.731 47.065 6.995 1.00 14.63 N +ATOM 3241 CA ASP C 140 7.933 47.494 7.709 1.00 13.98 C +ATOM 3242 C ASP C 140 8.721 46.303 8.298 1.00 13.36 C +ATOM 3243 O ASP C 140 9.620 46.505 9.099 1.00 15.11 O +ATOM 3244 CB ASP C 140 7.583 48.501 8.806 1.00 15.71 C +ATOM 3245 CG ASP C 140 6.807 47.911 9.957 1.00 19.38 C +ATOM 3246 OD1 ASP C 140 6.380 46.740 9.895 1.00 15.38 O +ATOM 3247 OD2 ASP C 140 6.593 48.628 10.967 1.00 20.59 O +ATOM 3248 N TYR C 141 8.334 45.103 7.900 1.00 12.88 N +ATOM 3249 CA TYR C 141 8.944 43.840 8.336 1.00 12.38 C +ATOM 3250 C TYR C 141 8.662 43.459 9.765 1.00 13.59 C +ATOM 3251 O TYR C 141 9.062 42.373 10.185 1.00 13.90 O +ATOM 3252 CB TYR C 141 10.453 43.813 8.023 1.00 13.36 C +ATOM 3253 CG TYR C 141 10.730 44.127 6.570 1.00 14.40 C +ATOM 3254 CD1 TYR C 141 10.525 43.154 5.610 1.00 15.37 C +ATOM 3255 CD2 TYR C 141 11.093 45.384 6.166 1.00 16.51 C +ATOM 3256 CE1 TYR C 141 10.761 43.406 4.251 1.00 15.58 C +ATOM 3257 CE2 TYR C 141 11.325 45.652 4.819 1.00 14.85 C +ATOM 3258 CZ TYR C 141 11.154 44.651 3.887 1.00 15.89 C +ATOM 3259 OH TYR C 141 11.408 44.939 2.573 1.00 18.48 O +ATOM 3260 N SER C 142 7.917 44.275 10.521 1.00 13.60 N +ATOM 3261 CA SER C 142 7.510 43.849 11.837 1.00 13.90 C +ATOM 3262 C SER C 142 6.564 42.664 11.721 1.00 13.90 C +ATOM 3263 O SER C 142 5.832 42.551 10.758 1.00 14.31 O +ATOM 3264 CB SER C 142 6.839 44.978 12.630 1.00 14.74 C +ATOM 3265 OG SER C 142 5.630 45.409 12.029 1.00 15.68 O +ATOM 3266 N ALA C 143 6.651 41.761 12.693 1.00 13.74 N +ATOM 3267 CA ALA C 143 5.852 40.551 12.668 1.00 12.77 C +ATOM 3268 C ALA C 143 4.621 40.607 13.574 1.00 14.13 C +ATOM 3269 O ALA C 143 4.708 41.122 14.706 1.00 14.93 O +ATOM 3270 CB ALA C 143 6.713 39.329 12.998 1.00 15.86 C +ATOM 3271 N LEU C 144 3.523 40.016 13.093 1.00 12.90 N +ATOM 3272 CA LEU C 144 2.326 39.794 13.856 1.00 13.38 C +ATOM 3273 C LEU C 144 2.139 38.287 13.927 1.00 14.34 C +ATOM 3274 O LEU C 144 2.554 37.570 13.001 1.00 15.04 O +ATOM 3275 CB LEU C 144 1.122 40.408 13.171 1.00 14.89 C +ATOM 3276 CG LEU C 144 1.160 41.915 12.890 1.00 14.83 C +ATOM 3277 CD1 LEU C 144 -0.024 42.258 11.998 1.00 18.14 C +ATOM 3278 CD2 LEU C 144 1.140 42.714 14.176 1.00 17.12 C +ATOM 3279 N ALA C 145 1.509 37.799 14.990 1.00 13.17 N +ATOM 3280 CA ALA C 145 1.370 36.361 15.164 1.00 13.19 C +ATOM 3281 C ALA C 145 0.175 36.024 16.010 1.00 12.74 C +ATOM 3282 O ALA C 145 -0.169 36.772 16.911 1.00 14.19 O +ATOM 3283 CB ALA C 145 2.637 35.767 15.805 1.00 14.77 C +ATOM 3284 N GLY C 146 -0.446 34.880 15.709 1.00 13.51 N +ATOM 3285 CA GLY C 146 -1.521 34.398 16.526 1.00 14.44 C +ATOM 3286 C GLY C 146 -2.352 33.305 15.901 1.00 13.35 C +ATOM 3287 O GLY C 146 -1.951 32.676 14.937 1.00 15.20 O +ATOM 3288 N HIS C 147 -3.526 33.100 16.488 1.00 13.66 N +ATOM 3289 CA HIS C 147 -4.521 32.155 15.996 1.00 13.32 C +ATOM 3290 C HIS C 147 -5.231 32.763 14.798 1.00 13.98 C +ATOM 3291 O HIS C 147 -5.862 33.826 14.900 1.00 13.60 O +ATOM 3292 CB HIS C 147 -5.490 31.842 17.150 1.00 14.45 C +ATOM 3293 CG HIS C 147 -6.682 31.023 16.793 1.00 15.10 C +ATOM 3294 ND1 HIS C 147 -6.697 30.057 15.807 1.00 24.94 N +ATOM 3295 CD2 HIS C 147 -7.903 30.980 17.370 1.00 20.19 C +ATOM 3296 CE1 HIS C 147 -7.890 29.475 15.790 1.00 19.09 C +ATOM 3297 NE2 HIS C 147 -8.646 30.046 16.694 1.00 23.70 N +ATOM 3298 N LEU C 148 -5.151 32.054 13.670 1.00 14.14 N +ATOM 3299 CA LEU C 148 -5.692 32.506 12.425 1.00 14.75 C +ATOM 3300 C LEU C 148 -7.169 32.183 12.299 1.00 14.47 C +ATOM 3301 O LEU C 148 -7.566 31.032 12.351 1.00 14.92 O +ATOM 3302 CB LEU C 148 -4.937 31.824 11.281 1.00 13.29 C +ATOM 3303 CG LEU C 148 -5.455 32.054 9.863 1.00 11.62 C +ATOM 3304 CD1 LEU C 148 -5.312 33.532 9.481 1.00 15.22 C +ATOM 3305 CD2 LEU C 148 -4.751 31.133 8.862 1.00 14.19 C +ATOM 3306 N LEU C 149 -7.972 33.213 12.038 1.00 13.00 N +ATOM 3307 CA LEU C 149 -9.367 33.002 11.683 1.00 13.34 C +ATOM 3308 C LEU C 149 -9.648 33.104 10.179 1.00 13.96 C +ATOM 3309 O LEU C 149 -10.482 32.353 9.626 1.00 15.70 O +ATOM 3310 CB LEU C 149 -10.272 34.033 12.364 1.00 14.60 C +ATOM 3311 CG LEU C 149 -10.347 34.038 13.892 1.00 15.00 C +ATOM 3312 CD1 LEU C 149 -11.457 34.972 14.339 1.00 16.22 C +ATOM 3313 CD2 LEU C 149 -10.570 32.628 14.468 1.00 16.89 C +ATOM 3314 N ASER C 150 -9.010 34.064 9.523 0.50 14.24 N +ATOM 3315 N BSER C 150 -8.991 34.060 9.527 0.50 13.13 N +ATOM 3316 CA ASER C 150 -9.178 34.240 8.092 0.50 14.39 C +ATOM 3317 CA BSER C 150 -9.254 34.379 8.135 0.50 12.47 C +ATOM 3318 C ASER C 150 -8.031 35.068 7.533 0.50 13.44 C +ATOM 3319 C BSER C 150 -8.072 35.144 7.526 0.50 12.97 C +ATOM 3320 O ASER C 150 -7.366 35.802 8.277 0.50 13.79 O +ATOM 3321 O BSER C 150 -7.403 35.906 8.240 0.50 13.16 O +ATOM 3322 CB ASER C 150 -10.521 34.917 7.780 0.50 16.03 C +ATOM 3323 CB BSER C 150 -10.523 35.242 8.066 0.50 11.60 C +ATOM 3324 OG ASER C 150 -10.602 36.200 8.359 0.50 16.84 O +ATOM 3325 OG BSER C 150 -10.800 35.699 6.752 0.50 16.36 O +ATOM 3326 N ALA C 151 -7.823 34.957 6.224 1.00 13.79 N +ATOM 3327 CA ALA C 151 -6.848 35.771 5.527 1.00 16.28 C +ATOM 3328 C ALA C 151 -7.174 35.720 4.051 1.00 15.06 C +ATOM 3329 O ALA C 151 -7.482 34.648 3.522 1.00 16.69 O +ATOM 3330 CB ALA C 151 -5.445 35.297 5.763 1.00 14.94 C +ATOM 3331 N ILE C 152 -7.106 36.869 3.382 1.00 14.94 N +ATOM 3332 CA ILE C 152 -7.433 36.958 1.969 1.00 12.90 C +ATOM 3333 C ILE C 152 -6.134 37.057 1.160 1.00 13.98 C +ATOM 3334 O ILE C 152 -5.356 38.002 1.345 1.00 13.35 O +ATOM 3335 CB ILE C 152 -8.339 38.127 1.643 1.00 12.65 C +ATOM 3336 CG1 ILE C 152 -9.624 38.087 2.485 1.00 16.27 C +ATOM 3337 CG2 ILE C 152 -8.666 38.088 0.145 1.00 14.22 C +ATOM 3338 CD1 ILE C 152 -10.520 39.285 2.318 1.00 18.07 C +ATOM 3339 N GLN C 153 -5.899 36.067 0.312 1.00 13.43 N +ATOM 3340 CA GLN C 153 -4.685 36.018 -0.475 1.00 12.80 C +ATOM 3341 C GLN C 153 -4.594 37.220 -1.435 1.00 13.60 C +ATOM 3342 O GLN C 153 -5.583 37.654 -2.020 1.00 14.24 O +ATOM 3343 CB GLN C 153 -4.657 34.731 -1.257 1.00 12.71 C +ATOM 3344 CG GLN C 153 -3.338 34.474 -1.979 1.00 14.56 C +ATOM 3345 CD GLN C 153 -3.233 33.057 -2.457 1.00 15.51 C +ATOM 3346 OE1 GLN C 153 -3.459 32.140 -1.671 1.00 15.70 O +ATOM 3347 NE2 GLN C 153 -2.845 32.866 -3.728 1.00 15.88 N +ATOM 3348 N ASN C 154 -3.386 37.753 -1.562 1.00 12.99 N +ATOM 3349 CA ASN C 154 -3.092 38.811 -2.518 1.00 14.10 C +ATOM 3350 C ASN C 154 -1.660 38.579 -2.979 1.00 14.29 C +ATOM 3351 O ASN C 154 -0.716 39.222 -2.533 1.00 15.50 O +ATOM 3352 CB ASN C 154 -3.284 40.192 -1.920 1.00 13.29 C +ATOM 3353 CG ASN C 154 -3.311 41.272 -2.971 1.00 16.66 C +ATOM 3354 OD1 ASN C 154 -3.876 41.076 -4.053 1.00 17.84 O +ATOM 3355 ND2 ASN C 154 -2.749 42.441 -2.649 1.00 16.77 N +ATOM 3356 N GLY C 155 -1.520 37.610 -3.863 1.00 13.04 N +ATOM 3357 CA GLY C 155 -0.225 37.149 -4.339 1.00 14.16 C +ATOM 3358 C GLY C 155 -0.318 35.645 -4.455 1.00 15.12 C +ATOM 3359 O GLY C 155 -1.333 35.095 -4.947 1.00 16.22 O +ATOM 3360 N ALA C 156 0.725 34.965 -3.980 1.00 15.93 N +ATOM 3361 CA ALA C 156 0.781 33.502 -3.963 1.00 14.01 C +ATOM 3362 C ALA C 156 0.261 32.904 -2.654 1.00 14.84 C +ATOM 3363 O ALA C 156 0.146 33.592 -1.651 1.00 15.64 O +ATOM 3364 CB ALA C 156 2.220 33.060 -4.187 1.00 18.70 C +ATOM 3365 N GLY C 157 -0.012 31.594 -2.668 1.00 14.42 N +ATOM 3366 CA GLY C 157 -0.469 30.861 -1.502 1.00 14.75 C +ATOM 3367 C GLY C 157 -0.082 29.408 -1.702 1.00 15.52 C +ATOM 3368 O GLY C 157 -0.743 28.702 -2.479 1.00 16.73 O +ATOM 3369 N GLU C 158 0.993 28.995 -1.043 1.00 15.57 N +ATOM 3370 CA GLU C 158 1.671 27.745 -1.297 1.00 14.26 C +ATOM 3371 C GLU C 158 1.723 26.940 -0.011 1.00 13.71 C +ATOM 3372 O GLU C 158 2.451 27.273 0.924 1.00 14.29 O +ATOM 3373 CB GLU C 158 3.076 28.049 -1.837 1.00 14.27 C +ATOM 3374 CG GLU C 158 3.032 28.864 -3.128 1.00 14.93 C +ATOM 3375 CD GLU C 158 4.362 29.326 -3.620 1.00 15.29 C +ATOM 3376 OE1 GLU C 158 5.407 28.917 -3.086 1.00 15.74 O +ATOM 3377 OE2 GLU C 158 4.366 30.176 -4.551 1.00 15.13 O +ATOM 3378 N PHE C 159 0.900 25.893 0.057 1.00 15.21 N +ATOM 3379 CA PHE C 159 0.718 25.132 1.264 1.00 16.08 C +ATOM 3380 C PHE C 159 0.950 23.661 1.029 1.00 17.77 C +ATOM 3381 O PHE C 159 0.688 23.153 -0.064 1.00 20.47 O +ATOM 3382 CB PHE C 159 -0.677 25.373 1.827 1.00 16.48 C +ATOM 3383 CG PHE C 159 -0.940 26.824 2.095 1.00 17.40 C +ATOM 3384 CD1 PHE C 159 -0.520 27.404 3.263 1.00 18.96 C +ATOM 3385 CD2 PHE C 159 -1.517 27.628 1.130 1.00 18.18 C +ATOM 3386 CE1 PHE C 159 -0.666 28.759 3.473 1.00 18.80 C +ATOM 3387 CE2 PHE C 159 -1.688 28.977 1.341 1.00 18.36 C +ATOM 3388 CZ PHE C 159 -1.274 29.533 2.534 1.00 19.91 C +ATOM 3389 N VAL C 160 1.501 22.988 2.033 1.00 14.83 N +ATOM 3390 CA VAL C 160 1.663 21.552 2.031 1.00 17.11 C +ATOM 3391 C VAL C 160 0.666 21.002 3.039 1.00 15.56 C +ATOM 3392 O VAL C 160 0.672 21.372 4.228 1.00 15.72 O +ATOM 3393 CB VAL C 160 3.061 21.111 2.458 1.00 17.94 C +ATOM 3394 CG1 VAL C 160 3.135 19.595 2.445 1.00 17.94 C +ATOM 3395 CG2 VAL C 160 4.114 21.672 1.535 1.00 18.13 C +ATOM 3396 N VAL C 161 -0.212 20.127 2.573 1.00 17.73 N +ATOM 3397 CA VAL C 161 -1.176 19.448 3.420 1.00 18.10 C +ATOM 3398 C VAL C 161 -0.769 17.987 3.470 1.00 20.08 C +ATOM 3399 O VAL C 161 -0.792 17.312 2.434 1.00 18.84 O +ATOM 3400 CB VAL C 161 -2.580 19.564 2.870 1.00 18.73 C +ATOM 3401 CG1 VAL C 161 -3.566 18.762 3.737 1.00 19.77 C +ATOM 3402 CG2 VAL C 161 -3.009 21.050 2.759 1.00 17.96 C +ATOM 3403 N GLU C 162 -0.349 17.526 4.639 1.00 17.21 N +ATOM 3404 CA GLU C 162 0.001 16.124 4.842 1.00 18.90 C +ATOM 3405 C GLU C 162 -1.225 15.442 5.378 1.00 18.00 C +ATOM 3406 O GLU C 162 -1.821 15.885 6.336 1.00 17.66 O +ATOM 3407 CB GLU C 162 1.149 15.917 5.814 1.00 20.01 C +ATOM 3408 CG GLU C 162 1.499 14.439 5.946 1.00 24.30 C +ATOM 3409 CD GLU C 162 2.699 14.150 6.819 1.00 26.96 C +ATOM 3410 OE1 GLU C 162 3.503 15.068 7.081 1.00 36.85 O +ATOM 3411 OE2 GLU C 162 2.840 12.966 7.227 1.00 33.75 O +ATOM 3412 N ASP C 163 -1.581 14.324 4.746 1.00 17.02 N +ATOM 3413 CA ASP C 163 -2.715 13.504 5.135 1.00 18.11 C +ATOM 3414 C ASP C 163 -2.205 12.308 5.937 1.00 16.39 C +ATOM 3415 O ASP C 163 -1.511 11.465 5.386 1.00 18.73 O +ATOM 3416 CB ASP C 163 -3.403 13.043 3.850 1.00 18.93 C +ATOM 3417 CG ASP C 163 -4.622 12.190 4.080 1.00 19.30 C +ATOM 3418 OD1 ASP C 163 -5.033 11.947 5.237 1.00 18.18 O +ATOM 3419 OD2 ASP C 163 -5.185 11.738 3.043 1.00 19.84 O +ATOM 3420 N TYR C 164 -2.599 12.229 7.199 1.00 16.66 N +ATOM 3421 CA TYR C 164 -2.216 11.106 8.058 1.00 17.21 C +ATOM 3422 C TYR C 164 -3.065 9.863 7.871 1.00 18.61 C +ATOM 3423 O TYR C 164 -2.691 8.821 8.387 1.00 18.62 O +ATOM 3424 CB TYR C 164 -2.299 11.476 9.539 1.00 15.70 C +ATOM 3425 CG TYR C 164 -1.449 12.618 10.028 1.00 15.85 C +ATOM 3426 CD1 TYR C 164 -0.285 13.019 9.382 1.00 16.15 C +ATOM 3427 CD2 TYR C 164 -1.785 13.266 11.193 1.00 18.06 C +ATOM 3428 CE1 TYR C 164 0.472 14.067 9.870 1.00 15.27 C +ATOM 3429 CE2 TYR C 164 -1.043 14.281 11.688 1.00 17.59 C +ATOM 3430 CZ TYR C 164 0.074 14.692 11.028 1.00 16.96 C +ATOM 3431 OH TYR C 164 0.812 15.737 11.559 1.00 17.50 O +ATOM 3432 N SER C 165 -4.210 9.958 7.193 1.00 17.86 N +ATOM 3433 CA SER C 165 -5.069 8.795 6.954 1.00 17.47 C +ATOM 3434 C SER C 165 -5.507 8.086 8.224 1.00 19.06 C +ATOM 3435 O SER C 165 -5.676 6.865 8.217 1.00 22.57 O +ATOM 3436 CB SER C 165 -4.355 7.804 6.029 1.00 17.89 C +ATOM 3437 OG SER C 165 -4.144 8.365 4.758 1.00 24.45 O +ATOM 3438 N AGLU C 166 -5.573 8.839 9.298 0.60 21.06 N +ATOM 3439 N BGLU C 166 -5.843 8.839 9.270 0.40 17.27 N +ATOM 3440 CA AGLU C 166 -5.807 8.342 10.618 0.60 23.95 C +ATOM 3441 CA BGLU C 166 -6.367 8.283 10.545 0.40 19.17 C +ATOM 3442 C AGLU C 166 -6.715 9.342 11.243 0.60 24.28 C +ATOM 3443 C BGLU C 166 -7.343 9.227 11.278 0.40 15.95 C +ATOM 3444 O AGLU C 166 -6.497 10.540 11.210 0.60 26.00 O +ATOM 3445 O BGLU C 166 -7.138 10.446 11.282 0.40 10.45 O +ATOM 3446 CB AGLU C 166 -4.528 8.263 11.446 0.60 24.96 C +ATOM 3447 CB BGLU C 166 -5.221 7.910 11.501 0.40 20.14 C +ATOM 3448 CG AGLU C 166 -3.621 7.119 11.102 0.60 27.14 C +ATOM 3449 CG BGLU C 166 -4.468 6.652 11.110 0.40 25.72 C +ATOM 3450 CD AGLU C 166 -4.196 5.756 11.442 0.60 30.70 C +ATOM 3451 CD BGLU C 166 -3.503 6.156 12.180 0.40 22.90 C +ATOM 3452 OE1AGLU C 166 -5.175 5.675 12.219 0.60 30.88 O +ATOM 3453 OE1BGLU C 166 -3.846 6.188 13.383 0.40 29.73 O +ATOM 3454 OE2AGLU C 166 -3.647 4.765 10.926 0.60 35.02 O +ATOM 3455 OE2BGLU C 166 -2.401 5.709 11.800 0.40 30.67 O +ATOM 3456 N AARG C 167 -7.785 8.810 11.831 0.40 23.45 N +ATOM 3457 N BARG C 167 -8.394 8.682 11.907 0.60 16.75 N +ATOM 3458 CA AARG C 167 -8.811 9.607 12.495 0.40 23.19 C +ATOM 3459 CA BARG C 167 -9.272 9.507 12.717 0.60 18.28 C +ATOM 3460 C AARG C 167 -8.254 10.147 13.794 0.40 22.71 C +ATOM 3461 C BARG C 167 -8.493 10.092 13.894 0.60 20.00 C +ATOM 3462 O AARG C 167 -7.561 9.434 14.525 0.40 22.33 O +ATOM 3463 O BARG C 167 -7.833 9.341 14.613 0.60 20.43 O +ATOM 3464 CB AARG C 167 -10.061 8.754 12.767 0.40 24.51 C +ATOM 3465 CB BARG C 167 -10.432 8.632 13.221 0.60 18.63 C +ATOM 3466 CG AARG C 167 -11.248 9.464 13.458 0.40 25.64 C +ATOM 3467 CG BARG C 167 -11.543 9.333 13.994 0.60 20.88 C +ATOM 3468 CD AARG C 167 -12.307 8.419 13.867 0.40 25.50 C +ATOM 3469 CD BARG C 167 -12.330 10.292 13.099 0.60 18.79 C +ATOM 3470 NE AARG C 167 -13.314 8.830 14.844 0.40 29.34 N +ATOM 3471 NE BARG C 167 -13.040 9.668 11.977 0.60 24.43 N +ATOM 3472 CZ AARG C 167 -13.077 9.142 16.121 0.40 26.54 C +ATOM 3473 CZ BARG C 167 -13.589 10.337 10.955 0.60 19.07 C +ATOM 3474 NH1AARG C 167 -14.096 9.478 16.899 0.40 26.13 N +ATOM 3475 NH1BARG C 167 -14.236 9.664 9.989 0.60 11.90 N +ATOM 3476 NH2AARG C 167 -11.852 9.126 16.636 0.40 34.01 N +ATOM 3477 NH2BARG C 167 -13.504 11.679 10.883 0.60 17.16 N +ATOM 3478 N ILE C 168 -8.522 11.422 14.058 1.00 20.26 N +ATOM 3479 CA ILE C 168 -8.067 12.087 15.304 1.00 18.78 C +ATOM 3480 C ILE C 168 -9.192 13.019 15.702 1.00 19.31 C +ATOM 3481 O ILE C 168 -9.566 13.908 14.915 1.00 18.46 O +ATOM 3482 CB ILE C 168 -6.787 12.931 15.196 1.00 20.99 C +ATOM 3483 CG1 ILE C 168 -5.594 12.071 14.785 1.00 24.52 C +ATOM 3484 CG2 ILE C 168 -6.491 13.620 16.536 1.00 23.27 C +ATOM 3485 CD1 ILE C 168 -4.325 12.855 14.639 1.00 21.88 C +ATOM 3486 N SER C 169 -9.720 12.836 16.906 1.00 21.10 N +ATOM 3487 CA SER C 169 -10.854 13.618 17.386 1.00 21.91 C +ATOM 3488 C SER C 169 -10.490 14.561 18.523 1.00 21.01 C +ATOM 3489 O SER C 169 -9.403 14.505 19.087 1.00 21.82 O +ATOM 3490 CB SER C 169 -11.973 12.673 17.807 1.00 23.55 C +ATOM 3491 OG SER C 169 -13.183 13.385 18.011 1.00 31.65 O +ATOM 3492 N ARG C 170 -11.400 15.494 18.794 1.00 20.86 N +ATOM 3493 CA ARG C 170 -11.275 16.440 19.895 1.00 18.80 C +ATOM 3494 C ARG C 170 -12.508 16.349 20.727 1.00 22.04 C +ATOM 3495 O ARG C 170 -13.551 15.901 20.239 1.00 22.51 O +ATOM 3496 CB ARG C 170 -11.157 17.864 19.375 1.00 18.59 C +ATOM 3497 CG ARG C 170 -9.910 18.112 18.604 1.00 19.88 C +ATOM 3498 CD ARG C 170 -9.907 19.464 18.022 1.00 18.83 C +ATOM 3499 NE ARG C 170 -8.671 19.721 17.310 1.00 17.55 N +ATOM 3500 CZ ARG C 170 -7.576 20.261 17.830 1.00 21.25 C +ATOM 3501 NH1 ARG C 170 -7.514 20.629 19.104 1.00 22.91 N +ATOM 3502 NH2 ARG C 170 -6.532 20.423 17.055 1.00 20.77 N +ATOM 3503 N THR C 171 -12.399 16.797 21.970 1.00 20.65 N +ATOM 3504 CA THR C 171 -13.540 16.869 22.894 1.00 22.16 C +ATOM 3505 C THR C 171 -13.540 18.253 23.494 1.00 22.20 C +ATOM 3506 O THR C 171 -12.509 18.752 23.907 1.00 20.74 O +ATOM 3507 CB THR C 171 -13.423 15.818 24.003 1.00 24.96 C +ATOM 3508 OG1 THR C 171 -13.496 14.514 23.424 1.00 26.37 O +ATOM 3509 CG2 THR C 171 -14.520 15.971 25.068 1.00 24.19 C +ATOM 3510 N TYR C 172 -14.705 18.887 23.534 1.00 21.09 N +ATOM 3511 CA TYR C 172 -14.835 20.176 24.143 1.00 21.78 C +ATOM 3512 C TYR C 172 -14.586 20.057 25.645 1.00 23.97 C +ATOM 3513 O TYR C 172 -15.131 19.171 26.301 1.00 26.05 O +ATOM 3514 CB TYR C 172 -16.221 20.738 23.840 1.00 24.62 C +ATOM 3515 CG TYR C 172 -16.506 22.057 24.489 1.00 23.94 C +ATOM 3516 CD1 TYR C 172 -15.948 23.221 23.998 1.00 24.43 C +ATOM 3517 CD2 TYR C 172 -17.371 22.141 25.584 1.00 27.47 C +ATOM 3518 CE1 TYR C 172 -16.208 24.437 24.581 1.00 25.95 C +ATOM 3519 CE2 TYR C 172 -17.645 23.366 26.165 1.00 27.68 C +ATOM 3520 CZ TYR C 172 -17.059 24.496 25.660 1.00 28.29 C +ATOM 3521 OH TYR C 172 -17.309 25.726 26.209 1.00 32.03 O +ATOM 3522 N ASN C 173 -13.735 20.936 26.166 1.00 22.91 N +ATOM 3523 CA ASN C 173 -13.464 21.034 27.587 1.00 22.26 C +ATOM 3524 C ASN C 173 -14.228 22.246 28.080 1.00 23.60 C +ATOM 3525 O ASN C 173 -13.837 23.364 27.785 1.00 24.92 O +ATOM 3526 CB ASN C 173 -11.965 21.177 27.838 1.00 24.47 C +ATOM 3527 CG ASN C 173 -11.621 21.222 29.320 1.00 24.66 C +ATOM 3528 OD1 ASN C 173 -12.353 21.787 30.119 1.00 28.50 O +ATOM 3529 ND2 ASN C 173 -10.488 20.630 29.681 1.00 27.75 N +ATOM 3530 N PRO C 174 -15.328 22.029 28.830 1.00 25.86 N +ATOM 3531 CA PRO C 174 -16.144 23.161 29.266 1.00 26.40 C +ATOM 3532 C PRO C 174 -15.452 24.102 30.272 1.00 27.45 C +ATOM 3533 O PRO C 174 -15.780 25.291 30.304 1.00 30.09 O +ATOM 3534 CB PRO C 174 -17.394 22.491 29.861 1.00 26.91 C +ATOM 3535 CG PRO C 174 -16.947 21.150 30.273 1.00 24.56 C +ATOM 3536 CD PRO C 174 -15.850 20.748 29.336 1.00 26.63 C +ATOM 3537 N AASP C 175 -14.501 23.581 31.042 0.70 27.55 N +ATOM 3538 N BASP C 175 -14.521 23.593 31.074 0.30 26.85 N +ATOM 3539 CA AASP C 175 -13.727 24.394 31.985 0.70 28.36 C +ATOM 3540 CA BASP C 175 -13.761 24.458 31.974 0.30 26.64 C +ATOM 3541 C AASP C 175 -12.853 25.405 31.256 0.70 26.81 C +ATOM 3542 C BASP C 175 -12.958 25.465 31.168 0.30 25.62 C +ATOM 3543 O AASP C 175 -12.695 26.548 31.709 0.70 26.17 O +ATOM 3544 O BASP C 175 -12.988 26.667 31.454 0.30 25.01 O +ATOM 3545 CB AASP C 175 -12.839 23.515 32.879 0.70 30.07 C +ATOM 3546 CB BASP C 175 -12.805 23.659 32.862 0.30 27.04 C +ATOM 3547 CG AASP C 175 -13.644 22.549 33.761 0.70 36.26 C +ATOM 3548 CG BASP C 175 -12.049 24.542 33.853 0.30 28.70 C +ATOM 3549 OD1AASP C 175 -14.724 22.940 34.273 0.70 37.07 O +ATOM 3550 OD1BASP C 175 -12.667 25.450 34.456 0.30 26.46 O +ATOM 3551 OD2AASP C 175 -13.182 21.394 33.934 0.70 42.39 O +ATOM 3552 OD2BASP C 175 -10.833 24.321 34.031 0.30 30.09 O +ATOM 3553 N LEU C 176 -12.274 24.974 30.136 1.00 24.26 N +ATOM 3554 CA LEU C 176 -11.429 25.828 29.313 1.00 23.03 C +ATOM 3555 C LEU C 176 -12.178 26.601 28.238 1.00 20.27 C +ATOM 3556 O LEU C 176 -11.760 27.690 27.860 1.00 21.97 O +ATOM 3557 CB LEU C 176 -10.337 24.988 28.649 1.00 23.14 C +ATOM 3558 CG LEU C 176 -9.371 24.266 29.586 1.00 22.76 C +ATOM 3559 CD1 LEU C 176 -8.265 23.561 28.766 1.00 25.50 C +ATOM 3560 CD2 LEU C 176 -8.758 25.195 30.661 1.00 20.21 C +ATOM 3561 N GLY C 177 -13.273 26.051 27.758 1.00 21.33 N +ATOM 3562 CA GLY C 177 -13.959 26.606 26.595 1.00 23.63 C +ATOM 3563 C GLY C 177 -13.198 26.340 25.303 1.00 23.59 C +ATOM 3564 O GLY C 177 -13.322 27.108 24.348 1.00 24.99 O +ATOM 3565 N LEU C 178 -12.442 25.235 25.278 1.00 21.76 N +ATOM 3566 CA LEU C 178 -11.621 24.846 24.132 1.00 19.95 C +ATOM 3567 C LEU C 178 -11.832 23.397 23.742 1.00 19.08 C +ATOM 3568 O LEU C 178 -12.128 22.563 24.570 1.00 20.28 O +ATOM 3569 CB LEU C 178 -10.136 25.073 24.439 1.00 21.16 C +ATOM 3570 CG LEU C 178 -9.706 26.494 24.821 1.00 23.56 C +ATOM 3571 CD1 LEU C 178 -8.224 26.506 25.209 1.00 23.13 C +ATOM 3572 CD2 LEU C 178 -10.002 27.471 23.683 1.00 21.98 C +ATOM 3573 N ASN C 179 -11.619 23.116 22.458 1.00 19.69 N +ATOM 3574 CA ASN C 179 -11.702 21.768 21.917 1.00 18.44 C +ATOM 3575 C ASN C 179 -10.318 21.165 21.900 1.00 19.47 C +ATOM 3576 O ASN C 179 -9.457 21.609 21.151 1.00 21.65 O +ATOM 3577 CB ASN C 179 -12.221 21.839 20.489 1.00 17.24 C +ATOM 3578 CG ASN C 179 -13.570 22.418 20.435 1.00 18.15 C +ATOM 3579 OD1 ASN C 179 -14.479 21.936 21.114 1.00 19.69 O +ATOM 3580 ND2 ASN C 179 -13.723 23.468 19.664 1.00 19.80 N +ATOM 3581 N ILE C 180 -10.109 20.171 22.740 1.00 19.40 N +ATOM 3582 CA ILE C 180 -8.800 19.635 23.022 1.00 19.98 C +ATOM 3583 C ILE C 180 -8.702 18.241 22.422 1.00 20.50 C +ATOM 3584 O ILE C 180 -9.668 17.471 22.419 1.00 19.64 O +ATOM 3585 CB ILE C 180 -8.574 19.578 24.575 1.00 22.07 C +ATOM 3586 CG1 ILE C 180 -8.628 20.978 25.206 1.00 23.25 C +ATOM 3587 CG2 ILE C 180 -7.267 18.835 24.922 1.00 22.69 C +ATOM 3588 CD1 ILE C 180 -7.585 21.913 24.707 1.00 20.29 C +ATOM 3589 N TYR C 181 -7.530 17.901 21.895 1.00 19.05 N +ATOM 3590 CA TYR C 181 -7.324 16.567 21.377 1.00 19.36 C +ATOM 3591 C TYR C 181 -7.771 15.480 22.355 1.00 22.28 C +ATOM 3592 O TYR C 181 -7.543 15.591 23.549 1.00 21.45 O +ATOM 3593 CB TYR C 181 -5.857 16.340 21.086 1.00 20.93 C +ATOM 3594 CG TYR C 181 -5.275 16.835 19.782 1.00 18.32 C +ATOM 3595 CD1 TYR C 181 -5.942 16.699 18.583 1.00 20.12 C +ATOM 3596 CD2 TYR C 181 -3.956 17.257 19.739 1.00 17.75 C +ATOM 3597 CE1 TYR C 181 -5.354 17.079 17.385 1.00 20.00 C +ATOM 3598 CE2 TYR C 181 -3.347 17.610 18.547 1.00 18.48 C +ATOM 3599 CZ TYR C 181 -4.055 17.516 17.373 1.00 19.22 C +ATOM 3600 OH TYR C 181 -3.489 17.831 16.150 1.00 18.36 O +ATOM 3601 N ASP C 182 -8.396 14.435 21.826 1.00 20.52 N +ATOM 3602 CA ASP C 182 -8.892 13.323 22.633 1.00 21.67 C +ATOM 3603 C ASP C 182 -8.579 12.066 21.852 1.00 21.96 C +ATOM 3604 O ASP C 182 -9.337 11.639 20.973 1.00 25.40 O +ATOM 3605 CB ASP C 182 -10.386 13.478 22.872 1.00 21.71 C +ATOM 3606 CG ASP C 182 -10.934 12.434 23.830 1.00 28.10 C +ATOM 3607 OD1 ASP C 182 -10.199 11.480 24.161 1.00 26.90 O +ATOM 3608 OD2 ASP C 182 -12.096 12.582 24.248 1.00 28.54 O +ATOM 3609 N PHE C 183 -7.440 11.484 22.147 1.00 25.93 N +ATOM 3610 CA PHE C 183 -6.945 10.386 21.323 1.00 28.75 C +ATOM 3611 C PHE C 183 -7.641 9.053 21.585 1.00 32.87 C +ATOM 3612 O PHE C 183 -7.581 8.143 20.746 1.00 32.12 O +ATOM 3613 CB PHE C 183 -5.442 10.237 21.519 1.00 27.84 C +ATOM 3614 CG PHE C 183 -4.646 11.464 21.130 1.00 22.88 C +ATOM 3615 CD1 PHE C 183 -4.775 12.026 19.869 1.00 24.10 C +ATOM 3616 CD2 PHE C 183 -3.719 12.011 21.992 1.00 25.90 C +ATOM 3617 CE1 PHE C 183 -4.027 13.132 19.511 1.00 21.95 C +ATOM 3618 CE2 PHE C 183 -2.973 13.109 21.628 1.00 23.42 C +ATOM 3619 CZ PHE C 183 -3.111 13.664 20.391 1.00 22.77 C +ATOM 3620 N GLU C 184 -8.292 8.943 22.734 1.00 37.52 N +ATOM 3621 CA GLU C 184 -8.993 7.720 23.102 1.00 42.74 C +ATOM 3622 C GLU C 184 -10.448 7.674 22.633 1.00 44.83 C +ATOM 3623 O GLU C 184 -11.068 6.615 22.750 1.00 46.57 O +ATOM 3624 CB GLU C 184 -8.918 7.514 24.626 1.00 43.19 C +ATOM 3625 CG GLU C 184 -7.490 7.522 25.202 1.00 46.80 C +ATOM 3626 CD GLU C 184 -6.544 6.555 24.496 1.00 47.31 C +ATOM 3627 N ARG C 185 -11.000 8.771 22.100 1.00 45.94 N +ATOM 3628 CA ARG C 185 -12.387 8.728 21.598 1.00 47.30 C +ATOM 3629 C ARG C 185 -12.413 8.319 20.122 1.00 50.04 C +ATOM 3630 O ARG C 185 -11.388 8.347 19.435 1.00 50.66 O +ATOM 3631 CB ARG C 185 -13.143 10.044 21.846 1.00 47.73 C +ATOM 3632 CG ARG C 185 -12.969 11.164 20.841 1.00 46.93 C +ATOM 3633 CD ARG C 185 -13.901 12.328 21.185 1.00 46.49 C +ATOM 3634 NE ARG C 185 -15.288 12.083 20.785 1.00 46.40 N +ATOM 3635 CZ ARG C 185 -16.335 12.854 21.109 1.00 46.90 C +ATOM 3636 NH1 ARG C 185 -16.208 13.933 21.886 1.00 46.36 N +ATOM 3637 NH2 ARG C 185 -17.549 12.530 20.668 1.00 47.82 N +ATOM 3638 OXT ARG C 185 -13.464 7.940 19.598 1.00 51.41 O +TER 3639 ARG C 185 +HETATM 3640 NI NI A 201 7.496 35.046 -1.157 0.40 23.35 NI +HETATM 3641 S SO4 A 202 15.024 49.074 11.749 1.00 28.21 S +HETATM 3642 O1 SO4 A 202 16.312 48.451 11.661 1.00 23.78 O +HETATM 3643 O2 SO4 A 202 14.820 49.876 12.967 1.00 32.30 O +HETATM 3644 O3 SO4 A 202 13.961 48.052 11.686 1.00 34.81 O +HETATM 3645 O4 SO4 A 202 14.890 49.985 10.579 1.00 26.82 O +HETATM 3646 S SO4 A 203 7.044 11.791 5.742 1.00 68.29 S +HETATM 3647 O1 SO4 A 203 8.033 12.122 4.720 1.00 74.70 O +HETATM 3648 O2 SO4 A 203 7.646 10.907 6.734 1.00 75.59 O +HETATM 3649 O3 SO4 A 203 5.905 11.118 5.125 1.00 74.93 O +HETATM 3650 O4 SO4 A 203 6.594 13.028 6.395 1.00 75.56 O +HETATM 3651 S SO4 A 204 11.827 24.164 -15.566 1.00 36.57 S +HETATM 3652 O1 SO4 A 204 11.391 25.405 -16.265 1.00 36.68 O +HETATM 3653 O2 SO4 A 204 13.218 24.354 -15.081 1.00 40.25 O +HETATM 3654 O3 SO4 A 204 11.819 23.032 -16.492 1.00 38.96 O +HETATM 3655 O4 SO4 A 204 10.855 23.776 -14.543 1.00 32.33 O +HETATM 3656 OH2 1PE A 205 15.889 38.502 -6.936 1.00 51.75 O +HETATM 3657 C12 1PE A 205 16.191 39.307 -8.073 1.00 49.53 C +HETATM 3658 C22 1PE A 205 14.938 39.462 -8.932 1.00 47.68 C +HETATM 3659 OH3 1PE A 205 14.394 40.755 -8.701 1.00 44.73 O +HETATM 3660 C13 1PE A 205 12.289 41.872 -8.796 1.00 33.70 C +HETATM 3661 C23 1PE A 205 13.398 41.222 -9.599 1.00 37.03 C +HETATM 3662 OH4 1PE A 205 11.352 40.870 -8.505 1.00 28.34 O +HETATM 3663 C14 1PE A 205 9.857 40.489 -6.563 1.00 25.80 C +HETATM 3664 C24 1PE A 205 10.081 41.202 -7.897 1.00 23.49 C +HETATM 3665 OH5 1PE A 205 9.253 39.199 -6.504 1.00 38.13 O +HETATM 3666 C15 1PE A 205 11.088 37.739 -5.767 1.00 34.96 C +HETATM 3667 C25 1PE A 205 9.688 38.276 -5.483 1.00 31.48 C +HETATM 3668 OH6 1PE A 205 11.177 36.467 -6.397 1.00 43.91 O +HETATM 3669 C16 1PE A 205 13.470 35.733 -5.576 1.00 52.58 C +HETATM 3670 C26 1PE A 205 11.971 35.481 -5.721 1.00 47.34 C +HETATM 3671 OH7 1PE A 205 14.002 34.939 -4.492 1.00 59.20 O +HETATM 3672 OH5 1PE A 206 33.227 27.860 13.379 1.00 49.12 O +HETATM 3673 C15 1PE A 206 34.449 29.935 12.791 1.00 46.39 C +HETATM 3674 C25 1PE A 206 33.114 29.241 13.020 1.00 38.56 C +HETATM 3675 OH6 1PE A 206 34.246 31.351 12.709 1.00 33.55 O +HETATM 3676 C16 1PE A 206 34.741 31.681 15.183 1.00 48.40 C +HETATM 3677 C26 1PE A 206 33.998 32.108 13.921 1.00 41.97 C +HETATM 3678 OH7 1PE A 206 34.379 32.616 16.211 1.00 53.08 O +HETATM 3679 FE FE B 207 19.215 28.148 18.996 0.40 15.35 FE +HETATM 3680 NI NI B 208 -6.541 23.789 34.699 0.40 34.35 NI +HETATM 3681 S SO4 B 209 8.122 44.290 27.371 1.00 63.56 S +HETATM 3682 O1 SO4 B 209 8.459 44.136 25.953 1.00 67.14 O +HETATM 3683 O2 SO4 B 209 8.120 43.011 28.063 1.00 66.58 O +HETATM 3684 O3 SO4 B 209 6.805 44.904 27.512 1.00 67.57 O +HETATM 3685 O4 SO4 B 209 9.149 45.125 27.989 1.00 71.43 O +HETATM 3686 S SO4 B 210 28.257 10.630 21.362 1.00 53.00 S +HETATM 3687 O1 SO4 B 210 28.115 12.029 21.780 1.00 44.16 O +HETATM 3688 O2 SO4 B 210 28.548 9.732 22.491 1.00 56.70 O +HETATM 3689 O3 SO4 B 210 29.339 10.448 20.400 1.00 51.33 O +HETATM 3690 O4 SO4 B 210 26.971 10.293 20.747 1.00 54.82 O +HETATM 3691 S SO4 B 211 5.729 3.417 20.475 1.00 86.58 S +HETATM 3692 O1 SO4 B 211 6.456 3.922 19.315 1.00 86.69 O +HETATM 3693 O2 SO4 B 211 6.662 3.260 21.593 1.00 89.96 O +HETATM 3694 O3 SO4 B 211 5.160 2.123 20.112 1.00 90.10 O +HETATM 3695 O4 SO4 B 211 4.639 4.314 20.864 1.00 83.99 O +HETATM 3696 OH5 1PE B 212 4.164 47.011 25.496 1.00 58.09 O +HETATM 3697 C15 1PE B 212 3.491 45.187 24.086 1.00 49.82 C +HETATM 3698 C25 1PE B 212 4.669 45.938 24.691 1.00 52.31 C +HETATM 3699 OH6 1PE B 212 2.759 44.590 25.150 1.00 46.99 O +HETATM 3700 C16 1PE B 212 0.964 43.171 25.870 1.00 45.05 C +HETATM 3701 C26 1PE B 212 1.731 43.725 24.688 1.00 46.43 C +HETATM 3702 OH7 1PE B 212 1.873 42.815 26.908 1.00 49.36 O +HETATM 3703 S SO4 C 213 -16.134 12.070 16.961 1.00 76.96 S +HETATM 3704 O1 SO4 C 213 -16.426 13.449 17.324 1.00 69.94 O +HETATM 3705 O2 SO4 C 213 -16.068 11.236 18.153 1.00 77.20 O +HETATM 3706 O3 SO4 C 213 -14.848 12.046 16.260 1.00 78.49 O +HETATM 3707 O4 SO4 C 213 -17.183 11.502 16.111 1.00 79.14 O +HETATM 3708 S SO4 C 214 -2.092 48.272 14.653 1.00 34.86 S +HETATM 3709 O1 SO4 C 214 -2.688 48.053 13.454 1.00 16.42 O +HETATM 3710 O2 SO4 C 214 -1.249 47.090 15.019 1.00 36.87 O +HETATM 3711 O3 SO4 C 214 -3.242 48.457 15.564 1.00 35.80 O +HETATM 3712 O4 SO4 C 214 -1.256 49.481 14.653 1.00 38.75 O +HETATM 3713 OH2 1PE C 215 -13.101 29.714 14.884 1.00 56.99 O +HETATM 3714 C12 1PE C 215 -14.368 29.593 15.550 1.00 55.22 C +HETATM 3715 C22 1PE C 215 -15.346 30.752 15.322 1.00 49.33 C +HETATM 3716 OH3 1PE C 215 -16.322 30.605 16.365 1.00 51.27 O +HETATM 3717 C13 1PE C 215 -17.130 31.289 18.549 1.00 41.86 C +HETATM 3718 C23 1PE C 215 -16.787 31.721 17.126 1.00 44.23 C +HETATM 3719 OH4 1PE C 215 -16.341 31.993 19.517 1.00 36.86 O +HETATM 3720 C14 1PE C 215 -14.575 31.831 21.151 1.00 28.37 C +HETATM 3721 C24 1PE C 215 -15.388 31.136 20.109 1.00 22.22 C +HETATM 3722 OH5 1PE C 215 -13.871 30.761 21.729 1.00 38.71 O +HETATM 3723 C15 1PE C 215 -11.722 30.783 20.728 1.00 39.07 C +HETATM 3724 C25 1PE C 215 -12.508 30.955 22.000 1.00 41.86 C +HETATM 3725 OH6 1PE C 215 -11.165 29.491 20.553 1.00 45.99 O +HETATM 3726 C16 1PE C 215 -11.863 28.876 18.301 1.00 42.55 C +HETATM 3727 C26 1PE C 215 -10.733 29.346 19.198 1.00 37.48 C +HETATM 3728 OH7 1PE C 215 -11.583 27.539 17.869 1.00 49.59 O +HETATM 3729 OH5 1PE C 216 -6.528 11.728 -3.149 1.00 61.25 O +HETATM 3730 C15 1PE C 216 -7.399 12.297 -5.254 1.00 62.60 C +HETATM 3731 C25 1PE C 216 -6.799 11.181 -4.430 1.00 61.78 C +HETATM 3732 OH6 1PE C 216 -6.352 13.216 -5.602 1.00 61.99 O +HETATM 3733 C16 1PE C 216 -4.859 13.959 -7.406 1.00 66.52 C +HETATM 3734 C26 1PE C 216 -6.032 13.083 -6.995 1.00 65.94 C +HETATM 3735 OH7 1PE C 216 -4.014 13.261 -8.326 1.00 69.81 O +HETATM 3736 O HOH A 217 7.392 41.432 5.414 1.00 13.82 O +HETATM 3737 O HOH A 218 10.077 26.709 -4.841 1.00 15.96 O +HETATM 3738 O HOH A 219 19.493 42.181 16.994 1.00 16.25 O +HETATM 3739 O HOH A 220 20.345 46.165 11.285 1.00 17.16 O +HETATM 3740 O HOH A 221 9.004 31.860 8.901 1.00 17.20 O +HETATM 3741 O HOH A 222 8.517 40.284 3.136 1.00 17.24 O +HETATM 3742 O HOH A 223 4.391 23.977 -1.194 1.00 17.52 O +HETATM 3743 O HOH A 224 16.203 21.868 12.201 1.00 17.61 O +HETATM 3744 O HOH A 225 13.099 33.013 -1.210 1.00 17.66 O +HETATM 3745 O HOH A 226 21.502 43.688 18.072 1.00 27.34 O +HETATM 3746 O HOH A 227 24.557 22.535 14.356 1.00 17.94 O +HETATM 3747 O HOH A 228 13.712 15.264 -6.537 1.00 27.45 O +HETATM 3748 O HOH A 229 6.515 22.077 -0.684 1.00 18.61 O +HETATM 3749 O HOH A 230 12.016 45.325 15.927 1.00 18.80 O +HETATM 3750 O HOH A 231 8.322 48.085 2.516 1.00 18.84 O +HETATM 3751 O HOH A 232 25.065 24.158 12.094 1.00 18.99 O +HETATM 3752 O HOH A 233 23.975 28.301 -4.976 1.00 27.81 O +HETATM 3753 O HOH A 234 6.766 18.902 2.923 1.00 28.08 O +HETATM 3754 O HOH A 235 7.304 22.368 -3.481 1.00 20.01 O +HETATM 3755 O HOH A 236 31.259 25.897 10.128 1.00 28.29 O +HETATM 3756 O HOH A 237 7.892 47.622 -1.584 1.00 20.02 O +HETATM 3757 O HOH A 238 5.616 32.501 -5.536 1.00 20.45 O +HETATM 3758 O HOH A 239 27.590 24.828 11.351 1.00 20.50 O +HETATM 3759 O HOH A 240 4.954 21.094 -13.161 1.00 28.60 O +HETATM 3760 O HOH A 241 10.421 43.174 22.279 1.00 20.99 O +HETATM 3761 O HOH A 242 8.693 43.486 15.538 1.00 21.16 O +HETATM 3762 O HOH A 243 -0.686 27.602 -9.108 1.00 21.26 O +HETATM 3763 O HOH A 244 19.004 45.645 1.028 1.00 22.06 O +HETATM 3764 O HOH A 245 28.685 26.706 13.116 1.00 22.24 O +HETATM 3765 O HOH A 246 12.004 19.181 -12.902 1.00 28.96 O +HETATM 3766 O HOH A 247 7.596 41.541 -10.445 1.00 22.47 O +HETATM 3767 O HOH A 248 11.451 20.146 5.402 1.00 22.56 O +HETATM 3768 O HOH A 249 0.279 40.019 -6.270 1.00 22.59 O +HETATM 3769 O HOH A 250 1.700 47.684 0.432 1.00 29.26 O +HETATM 3770 O HOH A 251 6.232 49.565 1.676 1.00 29.34 O +HETATM 3771 O HOH A 252 20.934 34.751 -1.613 1.00 22.80 O +HETATM 3772 O HOH A 253 17.227 45.453 -4.843 1.00 23.38 O +HETATM 3773 O HOH A 254 9.714 40.915 -12.120 1.00 29.39 O +HETATM 3774 O HOH A 255 22.495 34.344 18.289 1.00 23.46 O +HETATM 3775 O HOH A 256 7.272 23.414 1.825 1.00 29.43 O +HETATM 3776 O HOH A 257 27.250 51.160 6.697 1.00 29.44 O +HETATM 3777 O HOH A 258 28.526 32.449 1.539 1.00 23.76 O +HETATM 3778 O HOH A 259 21.811 39.233 3.703 1.00 24.16 O +HETATM 3779 O HOH A 260 5.327 34.951 -4.713 1.00 24.23 O +HETATM 3780 O HOH A 261 23.227 24.412 17.827 1.00 29.64 O +HETATM 3781 O HOH A 262 -0.913 24.392 -12.294 1.00 24.53 O +HETATM 3782 O HOH A 263 25.446 44.412 3.563 1.00 24.53 O +HETATM 3783 O HOH A 264 1.554 31.695 -13.534 1.00 29.68 O +HETATM 3784 O HOH A 265 1.714 25.943 -18.138 1.00 29.80 O +HETATM 3785 O HOH A 266 28.960 35.421 10.053 1.00 29.84 O +HETATM 3786 O HOH A 267 7.836 35.437 -7.532 1.00 24.55 O +HETATM 3787 O HOH A 268 25.875 41.261 12.771 1.00 24.59 O +HETATM 3788 O HOH A 269 20.498 28.990 16.808 1.00 24.75 O +HETATM 3789 O HOH A 270 14.727 21.902 -8.580 1.00 24.79 O +HETATM 3790 O HOH A 271 9.672 27.465 -15.504 1.00 24.82 O +HETATM 3791 O HOH A 272 23.322 29.300 16.784 1.00 25.00 O +HETATM 3792 O HOH A 273 26.476 39.517 14.659 1.00 25.03 O +HETATM 3793 O HOH A 274 23.889 42.686 16.967 1.00 25.15 O +HETATM 3794 O HOH A 275 29.803 32.740 14.923 1.00 25.33 O +HETATM 3795 O HOH A 276 26.075 42.204 9.151 1.00 25.36 O +HETATM 3796 O HOH A 277 24.697 34.723 -1.637 1.00 26.03 O +HETATM 3797 O HOH A 278 25.689 22.270 -5.992 1.00 30.73 O +HETATM 3798 O HOH A 279 17.910 13.656 -3.537 1.00 30.76 O +HETATM 3799 O HOH A 280 29.336 22.898 10.953 1.00 26.15 O +HETATM 3800 O HOH A 281 10.831 20.318 -10.609 1.00 26.39 O +HETATM 3801 O HOH A 282 28.555 22.279 8.225 1.00 26.40 O +HETATM 3802 O HOH A 283 8.633 37.568 -9.307 1.00 26.53 O +HETATM 3803 O HOH A 284 0.816 41.902 -8.161 1.00 26.60 O +HETATM 3804 O HOH A 285 19.174 40.211 24.566 1.00 31.08 O +HETATM 3805 O HOH A 286 16.585 12.071 0.934 1.00 31.24 O +HETATM 3806 O HOH A 287 11.620 32.979 -4.171 1.00 26.78 O +HETATM 3807 O HOH A 288 8.622 33.004 -5.347 1.00 26.81 O +HETATM 3808 O HOH A 289 23.403 31.281 18.432 1.00 31.43 O +HETATM 3809 O HOH A 290 8.330 25.432 9.482 1.00 31.47 O +HETATM 3810 O HOH A 291 20.165 45.577 -1.386 1.00 26.87 O +HETATM 3811 O HOH A 292 12.943 43.023 25.231 1.00 31.52 O +HETATM 3812 O HOH A 293 7.022 21.624 9.219 1.00 31.75 O +HETATM 3813 O HOH A 294 14.720 49.224 15.456 1.00 32.09 O +HETATM 3814 O HOH A 295 20.244 33.035 21.262 1.00 32.33 O +HETATM 3815 O HOH A 296 21.139 30.855 22.764 1.00 32.33 O +HETATM 3816 O HOH A 297 17.810 35.639 -3.204 1.00 32.82 O +HETATM 3817 O HOH A 298 11.617 46.606 18.964 1.00 33.01 O +HETATM 3818 O HOH A 299 7.035 45.575 -13.079 1.00 33.12 O +HETATM 3819 O HOH A 300 14.348 20.261 -13.082 1.00 33.19 O +HETATM 3820 O HOH A 301 15.994 11.683 -1.648 1.00 33.20 O +HETATM 3821 O HOH A 302 25.995 46.533 11.930 1.00 33.24 O +HETATM 3822 O HOH A 303 27.009 47.304 9.710 1.00 33.33 O +HETATM 3823 O HOH A 304 12.361 47.138 9.683 1.00 33.58 O +HETATM 3824 O HOH A 305 15.049 12.104 -5.607 1.00 33.58 O +HETATM 3825 O HOH A 306 23.211 27.012 18.308 1.00 33.70 O +HETATM 3826 O HOH A 307 18.241 45.941 16.788 1.00 33.93 O +HETATM 3827 O HOH A 308 15.797 21.193 -10.830 1.00 34.62 O +HETATM 3828 O HOH A 309 6.726 38.177 -3.155 1.00 34.65 O +HETATM 3829 O HOH A 310 17.496 44.786 19.070 1.00 34.68 O +HETATM 3830 O HOH A 311 13.862 51.712 7.035 1.00 34.70 O +HETATM 3831 O HOH A 312 18.805 42.628 -2.775 1.00 34.75 O +HETATM 3832 O HOH A 313 0.179 47.693 -1.959 1.00 35.01 O +HETATM 3833 O HOH A 314 30.145 37.453 15.809 1.00 35.09 O +HETATM 3834 O HOH A 315 25.614 32.459 17.411 1.00 35.42 O +HETATM 3835 O HOH A 316 10.133 49.823 3.712 1.00 35.56 O +HETATM 3836 O HOH A 317 24.154 10.614 4.711 1.00 35.64 O +HETATM 3837 O HOH A 318 16.163 47.436 16.862 1.00 35.67 O +HETATM 3838 O HOH A 319 19.966 24.414 -10.403 1.00 35.76 O +HETATM 3839 O HOH A 320 5.989 43.280 -12.372 1.00 35.80 O +HETATM 3840 O HOH A 321 0.752 29.178 -12.944 1.00 35.93 O +HETATM 3841 O HOH A 322 27.611 45.483 4.759 1.00 36.04 O +HETATM 3842 O HOH A 323 28.368 15.914 4.893 1.00 36.32 O +HETATM 3843 O HOH A 324 4.084 19.033 -11.544 1.00 36.58 O +HETATM 3844 O HOH A 325 23.516 26.500 -6.808 1.00 36.59 O +HETATM 3845 O HOH A 326 24.760 45.048 15.253 1.00 36.89 O +HETATM 3846 O HOH A 327 9.974 30.033 -16.596 1.00 37.14 O +HETATM 3847 O HOH A 328 16.288 29.516 -6.228 1.00 37.17 O +HETATM 3848 O HOH A 329 11.783 11.231 -2.111 1.00 37.21 O +HETATM 3849 O HOH A 330 12.151 16.717 -14.060 1.00 37.21 O +HETATM 3850 O HOH A 331 26.549 43.692 13.366 1.00 37.43 O +HETATM 3851 O HOH A 332 16.828 44.629 -7.531 1.00 37.69 O +HETATM 3852 O HOH A 333 14.584 13.315 -8.028 1.00 37.85 O +HETATM 3853 O HOH A 334 5.894 47.903 -13.396 1.00 38.15 O +HETATM 3854 O HOH A 335 9.534 24.560 -18.121 1.00 38.21 O +HETATM 3855 O HOH A 336 28.779 49.496 4.650 1.00 38.23 O +HETATM 3856 O HOH A 337 9.557 50.104 6.231 1.00 38.32 O +HETATM 3857 O HOH A 338 28.033 49.721 9.211 1.00 38.33 O +HETATM 3858 O HOH A 339 9.126 13.053 0.143 1.00 38.42 O +HETATM 3859 O HOH A 340 20.734 46.784 16.396 1.00 38.52 O +HETATM 3860 O HOH A 341 -0.191 29.860 -16.927 1.00 38.70 O +HETATM 3861 O HOH A 342 17.070 30.941 -4.208 1.00 39.36 O +HETATM 3862 O HOH A 343 22.158 42.548 0.843 1.00 39.57 O +HETATM 3863 O HOH A 344 17.581 19.704 -9.119 1.00 39.69 O +HETATM 3864 O HOH A 345 3.692 50.729 -11.691 1.00 40.20 O +HETATM 3865 O HOH A 346 15.197 28.738 -10.823 1.00 40.43 O +HETATM 3866 O HOH A 347 25.999 24.928 -6.857 1.00 41.45 O +HETATM 3867 O HOH A 348 12.710 10.523 6.547 1.00 41.66 O +HETATM 3868 O HOH A 349 -2.751 22.310 -12.551 1.00 41.78 O +HETATM 3869 O HOH A 350 19.802 40.098 -2.023 1.00 42.21 O +HETATM 3870 O HOH A 351 0.587 32.907 -15.957 1.00 42.65 O +HETATM 3871 O HOH A 352 31.301 25.958 12.968 1.00 42.81 O +HETATM 3872 O HOH A 353 0.723 51.480 -3.013 1.00 43.03 O +HETATM 3873 O HOH A 354 18.445 33.131 -4.844 1.00 43.22 O +HETATM 3874 O HOH A 355 21.694 40.415 23.963 1.00 43.27 O +HETATM 3875 O HOH A 356 27.323 34.734 -0.700 1.00 43.43 O +HETATM 3876 O HOH A 357 26.767 48.218 13.952 1.00 43.62 O +HETATM 3877 O HOH A 358 32.820 28.587 7.769 1.00 43.83 O +HETATM 3878 O HOH A 359 19.000 28.094 -8.652 1.00 43.89 O +HETATM 3879 O HOH A 360 8.281 13.997 -11.757 1.00 44.16 O +HETATM 3880 O HOH A 361 28.656 18.110 2.244 1.00 44.40 O +HETATM 3881 O HOH A 362 14.118 46.498 17.909 1.00 44.46 O +HETATM 3882 O HOH A 363 31.108 28.339 3.515 1.00 44.61 O +HETATM 3883 O HOH A 364 6.764 23.430 7.258 1.00 44.77 O +HETATM 3884 O HOH A 365 26.035 20.543 -8.035 1.00 44.78 O +HETATM 3885 O HOH A 366 -0.929 32.717 -12.124 1.00 44.82 O +HETATM 3886 O HOH A 367 14.087 9.820 -1.273 1.00 44.86 O +HETATM 3887 O HOH A 368 21.284 40.216 -0.305 1.00 44.96 O +HETATM 3888 O HOH A 369 28.854 18.370 -0.501 1.00 45.02 O +HETATM 3889 O HOH A 370 23.072 41.618 22.211 1.00 45.27 O +HETATM 3890 O HOH A 371 22.498 30.520 -5.924 1.00 45.67 O +HETATM 3891 O HOH A 372 18.500 44.703 22.915 1.00 46.50 O +HETATM 3892 O HOH A 373 14.866 31.364 -5.930 1.00 46.86 O +HETATM 3893 O HOH A 374 3.203 47.529 -13.798 1.00 47.30 O +HETATM 3894 O HOH A 375 25.053 38.308 1.572 1.00 47.35 O +HETATM 3895 O HOH A 376 23.754 37.560 -0.804 1.00 47.37 O +HETATM 3896 O HOH A 377 33.187 27.436 5.211 1.00 47.45 O +HETATM 3897 O HOH A 378 12.471 45.852 25.035 1.00 47.52 O +HETATM 3898 O HOH A 379 1.149 17.795 -11.623 1.00 47.63 O +HETATM 3899 O HOH A 380 14.770 47.579 21.523 1.00 47.65 O +HETATM 3900 O HOH A 381 26.262 14.301 -4.084 1.00 48.05 O +HETATM 3901 O HOH A 382 22.150 44.088 20.828 1.00 48.11 O +HETATM 3902 O HOH A 383 17.485 46.909 20.853 1.00 48.24 O +HETATM 3903 O HOH A 384 29.510 21.905 0.511 1.00 48.78 O +HETATM 3904 O HOH A 385 3.612 42.935 -13.428 1.00 48.83 O +HETATM 3905 O HOH A 386 20.572 19.579 -9.956 1.00 49.20 O +HETATM 3906 O HOH A 387 27.783 41.106 3.218 1.00 49.37 O +HETATM 3907 O HOH A 388 20.994 32.669 -3.850 1.00 49.71 O +HETATM 3908 O HOH A 389 27.275 36.961 1.382 1.00 49.74 O +HETATM 3909 O HOH A 390 32.808 31.692 4.493 1.00 49.94 O +HETATM 3910 O HOH A 391 28.558 15.425 -0.900 1.00 50.03 O +HETATM 3911 O HOH A 392 17.848 39.572 27.272 1.00 50.23 O +HETATM 3912 O HOH A 393 15.524 32.224 -7.994 1.00 51.10 O +HETATM 3913 O HOH A 394 29.853 49.572 6.919 1.00 51.19 O +HETATM 3914 O HOH A 395 17.653 9.934 -2.947 1.00 51.77 O +HETATM 3915 O HOH A 396 27.505 21.915 -3.701 1.00 52.02 O +HETATM 3916 O HOH A 397 21.087 25.957 -8.594 1.00 52.03 O +HETATM 3917 O HOH A 398 11.495 48.611 12.702 1.00 52.13 O +HETATM 3918 O HOH A 399 27.832 40.093 16.780 1.00 52.47 O +HETATM 3919 O HOH A 400 11.570 8.599 4.457 1.00 52.54 O +HETATM 3920 O HOH A 401 19.413 38.068 -3.743 1.00 52.69 O +HETATM 3921 O HOH A 402 24.060 10.227 1.921 1.00 53.12 O +HETATM 3922 O HOH A 403 25.800 10.304 9.582 1.00 53.78 O +HETATM 3923 O HOH A 404 21.695 37.090 -2.828 1.00 54.08 O +HETATM 3924 O HOH A 405 33.907 28.248 10.122 1.00 54.11 O +HETATM 3925 O HOH A 406 10.966 45.714 22.501 1.00 54.77 O +HETATM 3926 O HOH A 407 0.678 41.344 -18.438 1.00 57.78 O +HETATM 3927 O HOH A 408 27.206 24.686 -9.604 1.00 58.40 O +HETATM 3928 O HOH A 409 16.239 18.111 -14.073 1.00 58.90 O +HETATM 3929 O AHOH A 410 7.356 35.940 -2.610 0.70 25.82 O +HETATM 3930 O BHOH A 410 6.824 36.749 -1.155 0.30 21.59 O +HETATM 3931 O HOH B 411 0.228 39.215 25.878 1.00 15.33 O +HETATM 3932 O HOH B 412 15.587 36.706 19.774 1.00 15.94 O +HETATM 3933 O HOH B 413 -3.460 20.156 24.052 1.00 16.47 O +HETATM 3934 O HOH B 414 18.705 18.669 18.695 1.00 17.09 O +HETATM 3935 O HOH B 415 0.176 20.702 15.754 1.00 17.17 O +HETATM 3936 O HOH B 416 5.819 43.493 21.494 1.00 17.42 O +HETATM 3937 O HOH B 417 20.878 10.528 18.476 1.00 18.55 O +HETATM 3938 O HOH B 418 19.383 9.204 22.658 1.00 27.29 O +HETATM 3939 O HOH B 419 9.703 4.681 28.860 1.00 27.32 O +HETATM 3940 O HOH B 420 8.312 43.589 20.501 1.00 18.88 O +HETATM 3941 O HOH B 421 -6.108 33.105 20.983 1.00 19.12 O +HETATM 3942 O HOH B 422 -5.042 27.009 23.190 1.00 19.27 O +HETATM 3943 O HOH B 423 -7.291 23.356 20.641 1.00 27.50 O +HETATM 3944 O HOH B 424 5.025 33.585 35.483 1.00 27.51 O +HETATM 3945 O HOH B 425 6.417 7.205 15.581 1.00 27.63 O +HETATM 3946 O HOH B 426 30.036 32.267 19.235 1.00 27.64 O +HETATM 3947 O HOH B 427 -5.517 19.878 22.161 1.00 19.37 O +HETATM 3948 O HOH B 428 -3.961 19.723 26.720 1.00 19.45 O +HETATM 3949 O HOH B 429 8.704 5.807 15.965 1.00 28.23 O +HETATM 3950 O HOH B 430 17.623 16.347 14.139 1.00 19.62 O +HETATM 3951 O HOH B 431 21.653 8.577 21.168 1.00 28.40 O +HETATM 3952 O HOH B 432 12.790 24.128 30.460 1.00 28.44 O +HETATM 3953 O HOH B 433 -4.937 17.271 27.242 1.00 28.50 O +HETATM 3954 O HOH B 434 17.670 19.525 11.802 1.00 19.77 O +HETATM 3955 O HOH B 435 7.265 42.585 18.214 1.00 19.81 O +HETATM 3956 O HOH B 436 9.938 6.156 19.192 1.00 28.71 O +HETATM 3957 O HOH B 437 -2.036 34.017 31.257 1.00 28.75 O +HETATM 3958 O HOH B 438 28.430 31.769 17.118 1.00 28.77 O +HETATM 3959 O HOH B 439 -6.823 20.537 29.628 1.00 28.92 O +HETATM 3960 O HOH B 440 21.264 5.419 23.811 1.00 20.29 O +HETATM 3961 O HOH B 441 18.076 11.413 21.624 1.00 20.40 O +HETATM 3962 O HOH B 442 -6.349 41.178 22.563 1.00 20.60 O +HETATM 3963 O HOH B 443 15.637 17.597 12.429 1.00 20.92 O +HETATM 3964 O HOH B 444 -5.871 27.364 30.766 1.00 21.07 O +HETATM 3965 O HOH B 445 9.363 29.536 15.535 1.00 21.37 O +HETATM 3966 O HOH B 446 12.386 4.597 16.314 1.00 29.36 O +HETATM 3967 O HOH B 447 19.221 24.011 22.843 1.00 29.36 O +HETATM 3968 O HOH B 448 16.044 24.965 22.876 1.00 21.46 O +HETATM 3969 O HOH B 449 7.620 17.503 13.419 1.00 21.77 O +HETATM 3970 O HOH B 450 -5.933 29.562 23.443 1.00 21.84 O +HETATM 3971 O HOH B 451 -4.649 32.490 24.476 1.00 21.88 O +HETATM 3972 O HOH B 452 6.028 21.005 33.831 1.00 29.48 O +HETATM 3973 O HOH B 453 12.181 16.403 31.121 1.00 29.51 O +HETATM 3974 O HOH B 454 14.763 7.155 17.380 1.00 21.95 O +HETATM 3975 O HOH B 455 5.607 40.029 30.224 1.00 21.96 O +HETATM 3976 O HOH B 456 8.898 46.006 19.380 1.00 21.99 O +HETATM 3977 O HOH B 457 3.469 45.062 16.265 1.00 22.12 O +HETATM 3978 O HOH B 458 -3.734 27.714 20.805 1.00 22.27 O +HETATM 3979 O HOH B 459 7.190 45.644 17.321 1.00 22.30 O +HETATM 3980 O HOH B 460 -5.366 21.736 27.731 1.00 22.36 O +HETATM 3981 O HOH B 461 -8.245 31.795 20.127 1.00 22.88 O +HETATM 3982 O HOH B 462 4.781 46.427 18.204 1.00 23.44 O +HETATM 3983 O HOH B 463 15.705 21.168 25.998 1.00 30.21 O +HETATM 3984 O HOH B 464 14.710 34.813 32.315 1.00 30.32 O +HETATM 3985 O HOH B 465 -0.225 30.431 32.900 1.00 30.33 O +HETATM 3986 O HOH B 466 17.475 18.909 25.626 1.00 23.58 O +HETATM 3987 O HOH B 467 7.740 31.614 37.125 1.00 23.70 O +HETATM 3988 O HOH B 468 28.449 20.833 25.411 1.00 30.64 O +HETATM 3989 O HOH B 469 -2.052 38.451 29.516 1.00 30.65 O +HETATM 3990 O HOH B 470 -4.776 44.450 21.227 1.00 30.66 O +HETATM 3991 O HOH B 471 18.768 14.777 28.074 1.00 23.70 O +HETATM 3992 O HOH B 472 -5.935 29.421 26.245 1.00 23.87 O +HETATM 3993 O HOH B 473 24.797 10.430 21.458 1.00 24.26 O +HETATM 3994 O HOH B 474 11.403 16.367 9.968 1.00 24.32 O +HETATM 3995 O HOH B 475 31.317 17.595 22.544 1.00 30.91 O +HETATM 3996 O HOH B 476 -4.466 18.998 30.606 1.00 24.49 O +HETATM 3997 O HOH B 477 22.812 7.522 12.228 1.00 30.95 O +HETATM 3998 O HOH B 478 9.219 30.282 31.191 1.00 24.53 O +HETATM 3999 O HOH B 479 -2.668 15.888 27.351 1.00 25.30 O +HETATM 4000 O HOH B 480 -5.170 15.962 24.804 1.00 25.33 O +HETATM 4001 O HOH B 481 19.507 7.135 25.076 1.00 25.33 O +HETATM 4002 O HOH B 482 11.149 6.420 12.203 1.00 31.31 O +HETATM 4003 O HOH B 483 27.751 20.504 11.349 1.00 25.34 O +HETATM 4004 O HOH B 484 -1.214 40.558 27.885 1.00 25.74 O +HETATM 4005 O HOH B 485 24.612 24.986 21.645 1.00 25.85 O +HETATM 4006 O HOH B 486 13.290 38.472 32.586 1.00 26.02 O +HETATM 4007 O HOH B 487 -1.000 27.664 32.941 1.00 26.04 O +HETATM 4008 O HOH B 488 16.681 34.335 20.917 1.00 26.43 O +HETATM 4009 O HOH B 489 0.927 44.881 17.079 1.00 26.50 O +HETATM 4010 O HOH B 490 -1.292 8.928 25.607 1.00 31.92 O +HETATM 4011 O HOH B 491 10.762 23.289 33.436 1.00 26.68 O +HETATM 4012 O HOH B 492 26.232 11.879 14.444 1.00 26.82 O +HETATM 4013 O HOH B 493 -7.029 25.777 21.717 1.00 26.85 O +HETATM 4014 O HOH B 494 28.308 14.414 21.910 1.00 26.88 O +HETATM 4015 O HOH B 495 -5.770 40.378 27.353 1.00 32.18 O +HETATM 4016 O HOH B 496 -5.273 32.168 32.872 1.00 27.14 O +HETATM 4017 O HOH B 497 4.172 45.780 20.909 1.00 27.23 O +HETATM 4018 O HOH B 498 21.830 24.084 20.511 1.00 32.48 O +HETATM 4019 O HOH B 499 1.853 30.683 33.835 1.00 32.77 O +HETATM 4020 O HOH B 500 -6.906 22.409 32.215 1.00 33.34 O +HETATM 4021 O HOH B 501 24.687 10.717 12.518 1.00 33.51 O +HETATM 4022 O HOH B 502 31.477 21.046 16.518 1.00 34.07 O +HETATM 4023 O HOH B 503 2.236 21.046 13.976 1.00 34.25 O +HETATM 4024 O HOH B 504 14.865 4.504 17.819 1.00 34.43 O +HETATM 4025 O HOH B 505 -4.660 38.042 28.406 1.00 34.45 O +HETATM 4026 O HOH B 506 -0.844 5.550 19.608 1.00 34.74 O +HETATM 4027 O HOH B 507 10.459 10.482 30.371 1.00 34.99 O +HETATM 4028 O HOH B 508 11.063 9.771 9.923 1.00 35.14 O +HETATM 4029 O HOH B 509 28.558 29.073 25.374 1.00 35.20 O +HETATM 4030 O HOH B 510 13.568 19.818 12.660 1.00 35.43 O +HETATM 4031 O HOH B 511 24.844 7.500 21.076 1.00 35.55 O +HETATM 4032 O HOH B 512 0.725 39.613 32.848 1.00 35.79 O +HETATM 4033 O HOH B 513 7.385 24.666 12.153 1.00 36.10 O +HETATM 4034 O HOH B 514 9.124 5.049 13.365 1.00 36.54 O +HETATM 4035 O HOH B 515 -2.725 44.362 24.429 1.00 36.83 O +HETATM 4036 O HOH B 516 -3.477 42.031 27.597 1.00 36.94 O +HETATM 4037 O HOH B 517 11.056 20.569 10.959 1.00 37.05 O +HETATM 4038 O HOH B 518 1.100 9.658 27.917 1.00 37.22 O +HETATM 4039 O HOH B 519 20.043 29.797 19.324 1.00 37.49 O +HETATM 4040 O HOH B 520 16.434 16.062 28.540 1.00 37.77 O +HETATM 4041 O HOH B 521 13.584 21.951 11.566 1.00 38.02 O +HETATM 4042 O HOH B 522 9.653 6.916 30.848 1.00 38.60 O +HETATM 4043 O HOH B 523 4.140 40.618 33.101 1.00 38.61 O +HETATM 4044 O HOH B 524 -7.068 41.608 29.691 1.00 38.79 O +HETATM 4045 O HOH B 525 0.509 28.123 35.074 1.00 38.90 O +HETATM 4046 O HOH B 526 10.967 26.607 33.620 1.00 39.42 O +HETATM 4047 O HOH B 527 27.857 6.715 25.285 1.00 39.56 O +HETATM 4048 O HOH B 528 21.102 27.796 19.749 1.00 39.64 O +HETATM 4049 O HOH B 529 30.737 19.620 14.332 1.00 39.77 O +HETATM 4050 O HOH B 530 9.294 22.707 10.387 1.00 39.80 O +HETATM 4051 O HOH B 531 7.751 41.695 29.991 1.00 40.00 O +HETATM 4052 O HOH B 532 1.444 24.785 24.725 1.00 40.09 O +HETATM 4053 O HOH B 533 22.025 16.262 25.685 1.00 40.69 O +HETATM 4054 O HOH B 534 0.270 34.839 32.105 1.00 40.95 O +HETATM 4055 O HOH B 535 0.576 47.316 22.538 1.00 41.31 O +HETATM 4056 O HOH B 536 -2.189 19.824 34.332 1.00 41.41 O +HETATM 4057 O HOH B 537 10.649 30.919 34.647 1.00 41.48 O +HETATM 4058 O HOH B 538 4.837 49.149 17.826 1.00 42.29 O +HETATM 4059 O HOH B 539 5.120 24.949 14.521 1.00 42.63 O +HETATM 4060 O HOH B 540 34.576 19.834 21.974 1.00 42.92 O +HETATM 4061 O HOH B 541 20.201 36.715 31.364 1.00 43.27 O +HETATM 4062 O HOH B 542 29.981 15.329 23.662 1.00 43.48 O +HETATM 4063 O HOH B 543 31.779 23.376 14.269 1.00 43.56 O +HETATM 4064 O HOH B 544 22.998 38.864 25.593 1.00 44.39 O +HETATM 4065 O HOH B 545 -4.127 29.198 34.281 1.00 44.45 O +HETATM 4066 O HOH B 546 29.803 27.277 26.612 1.00 44.46 O +HETATM 4067 O HOH B 547 24.771 15.277 27.125 1.00 44.47 O +HETATM 4068 O HOH B 548 19.420 26.003 25.618 1.00 44.49 O +HETATM 4069 O HOH B 549 10.800 18.905 8.928 1.00 44.57 O +HETATM 4070 O HOH B 550 25.183 40.033 19.696 1.00 45.43 O +HETATM 4071 O HOH B 551 9.450 40.552 31.253 1.00 45.73 O +HETATM 4072 O HOH B 552 3.124 8.364 28.769 1.00 46.19 O +HETATM 4073 O HOH B 553 3.322 9.607 9.794 1.00 46.65 O +HETATM 4074 O HOH B 554 11.706 12.194 32.146 1.00 47.18 O +HETATM 4075 O HOH B 555 29.849 15.448 8.010 1.00 47.32 O +HETATM 4076 O HOH B 556 32.207 13.600 24.517 1.00 47.38 O +HETATM 4077 O HOH B 557 8.921 3.238 16.926 1.00 47.49 O +HETATM 4078 O HOH B 558 -1.472 32.528 33.319 1.00 47.53 O +HETATM 4079 O HOH B 559 -3.288 7.082 21.620 1.00 48.03 O +HETATM 4080 O HOH B 560 13.667 20.807 30.154 1.00 48.25 O +HETATM 4081 O HOH B 561 -4.644 36.161 34.447 1.00 48.35 O +HETATM 4082 O HOH B 562 9.408 3.651 24.091 1.00 48.66 O +HETATM 4083 O HOH B 563 6.274 40.353 34.874 1.00 49.40 O +HETATM 4084 O HOH B 564 14.520 26.067 32.334 1.00 49.50 O +HETATM 4085 O HOH B 565 2.875 11.745 30.603 1.00 49.58 O +HETATM 4086 O HOH B 566 11.693 8.244 30.359 1.00 49.90 O +HETATM 4087 O HOH B 567 8.013 46.179 23.889 1.00 50.29 O +HETATM 4088 O HOH B 568 16.395 32.315 32.697 1.00 50.77 O +HETATM 4089 O HOH B 569 15.933 21.542 28.657 1.00 50.93 O +HETATM 4090 O HOH B 570 25.696 25.969 24.028 1.00 51.11 O +HETATM 4091 O HOH B 571 27.609 7.132 22.122 1.00 51.43 O +HETATM 4092 O HOH B 572 10.447 16.114 37.531 1.00 51.64 O +HETATM 4093 O HOH B 573 1.903 3.788 20.531 1.00 51.75 O +HETATM 4094 O HOH B 574 28.829 17.333 10.517 1.00 51.85 O +HETATM 4095 O HOH B 575 2.977 34.318 34.091 1.00 52.29 O +HETATM 4096 O HOH B 576 12.531 8.136 8.349 1.00 52.53 O +HETATM 4097 O HOH B 577 -4.468 34.366 31.703 1.00 53.64 O +HETATM 4098 O HOH B 578 4.197 9.505 30.746 1.00 54.56 O +HETATM 4099 O HOH B 579 -0.655 46.050 24.871 1.00 54.70 O +HETATM 4100 O HOH B 580 21.191 11.865 33.234 1.00 54.74 O +HETATM 4101 O HOH B 581 14.114 18.231 31.202 1.00 55.40 O +HETATM 4102 O HOH B 582 1.448 3.401 13.504 1.00 55.59 O +HETATM 4103 O HOH B 583 32.209 33.689 18.852 1.00 55.93 O +HETATM 4104 O HOH B 584 2.813 42.616 29.411 1.00 57.26 O +HETATM 4105 O HOH B 585 14.081 43.716 28.995 1.00 57.84 O +HETATM 4106 O HOH B 586 7.867 47.741 21.153 1.00 58.53 O +HETATM 4107 O HOH B 587 34.228 21.145 17.269 1.00 60.48 O +HETATM 4108 O HOH B 588 20.794 28.296 32.305 1.00 60.69 O +HETATM 4109 O HOH B 589 18.720 29.064 33.439 1.00 66.50 O +HETATM 4110 O HOH C 590 1.728 46.092 5.886 1.00 13.83 O +HETATM 4111 O HOH C 591 -1.673 36.869 19.267 1.00 14.16 O +HETATM 4112 O HOH C 592 -0.109 30.266 -5.353 1.00 15.07 O +HETATM 4113 O HOH C 593 -4.435 47.229 8.994 1.00 15.46 O +HETATM 4114 O HOH C 594 -7.285 20.330 14.085 1.00 15.88 O +HETATM 4115 O HOH C 595 4.798 25.791 0.845 1.00 16.19 O +HETATM 4116 O HOH C 596 2.420 29.820 -6.409 1.00 16.49 O +HETATM 4117 O HOH C 597 3.714 46.147 13.781 1.00 16.86 O +HETATM 4118 O HOH C 598 8.683 39.516 -2.264 1.00 27.25 O +HETATM 4119 O HOH C 599 -3.649 35.072 18.669 1.00 17.44 O +HETATM 4120 O HOH C 600 -2.253 31.229 -6.827 1.00 17.51 O +HETATM 4121 O HOH C 601 -0.824 18.156 15.914 1.00 17.99 O +HETATM 4122 O HOH C 602 2.926 16.423 10.165 1.00 27.42 O +HETATM 4123 O HOH C 603 5.559 43.406 15.729 1.00 18.85 O +HETATM 4124 O HOH C 604 -1.802 33.905 -7.424 1.00 18.90 O +HETATM 4125 O HOH C 605 -9.500 38.383 7.191 1.00 18.91 O +HETATM 4126 O HOH C 606 -0.801 17.352 13.166 1.00 19.20 O +HETATM 4127 O HOH C 607 3.105 30.593 12.384 1.00 19.23 O +HETATM 4128 O HOH C 608 -3.549 16.571 13.612 1.00 19.54 O +HETATM 4129 O HOH C 609 -2.520 40.170 -6.232 1.00 19.80 O +HETATM 4130 O HOH C 610 3.450 41.255 -0.917 1.00 19.88 O +HETATM 4131 O HOH C 611 3.280 36.071 -3.118 1.00 20.53 O +HETATM 4132 O HOH C 612 -12.133 41.467 13.261 1.00 20.54 O +HETATM 4133 O HOH C 613 -7.254 27.938 28.375 1.00 20.57 O +HETATM 4134 O HOH C 614 -0.382 47.761 2.595 1.00 20.90 O +HETATM 4135 O HOH C 615 -12.849 33.529 -0.753 1.00 20.95 O +HETATM 4136 O HOH C 616 -6.148 9.180 3.087 1.00 28.71 O +HETATM 4137 O HOH C 617 -14.875 15.840 -3.346 1.00 21.24 O +HETATM 4138 O HOH C 618 2.168 19.976 6.144 1.00 21.35 O +HETATM 4139 O HOH C 619 4.773 35.304 -0.898 1.00 21.36 O +HETATM 4140 O HOH C 620 -4.336 27.976 -7.804 1.00 21.41 O +HETATM 4141 O HOH C 621 9.793 45.674 14.313 1.00 21.46 O +HETATM 4142 O HOH C 622 -14.877 12.687 14.054 1.00 29.09 O +HETATM 4143 O HOH C 623 0.422 19.878 12.349 1.00 29.14 O +HETATM 4144 O HOH C 624 6.172 48.436 13.656 1.00 29.20 O +HETATM 4145 O HOH C 625 -11.433 15.577 9.106 1.00 21.50 O +HETATM 4146 O HOH C 626 4.143 38.707 -2.772 1.00 21.58 O +HETATM 4147 O HOH C 627 -10.320 12.628 12.148 1.00 21.66 O +HETATM 4148 O HOH C 628 -16.323 16.056 3.238 1.00 21.67 O +HETATM 4149 O HOH C 629 -9.236 38.648 24.510 1.00 21.69 O +HETATM 4150 O HOH C 630 -2.094 25.925 -10.659 1.00 29.39 O +HETATM 4151 O HOH C 631 -12.357 31.867 7.642 1.00 21.90 O +HETATM 4152 O HOH C 632 7.949 47.514 15.313 1.00 22.92 O +HETATM 4153 O HOH C 633 10.218 46.590 11.836 1.00 22.97 O +HETATM 4154 O HOH C 634 1.199 48.527 4.768 1.00 23.03 O +HETATM 4155 O HOH C 635 -14.805 25.832 3.459 1.00 29.62 O +HETATM 4156 O HOH C 636 1.767 40.015 -3.825 1.00 23.12 O +HETATM 4157 O HOH C 637 -3.602 11.029 0.821 1.00 29.65 O +HETATM 4158 O HOH C 638 -8.836 24.714 18.463 1.00 29.67 O +HETATM 4159 O HOH C 639 -14.181 33.040 4.480 1.00 23.17 O +HETATM 4160 O HOH C 640 -2.601 29.703 -9.087 1.00 23.28 O +HETATM 4161 O HOH C 641 -3.085 44.808 -0.237 1.00 23.62 O +HETATM 4162 O HOH C 642 -11.110 26.513 10.289 1.00 30.16 O +HETATM 4163 O HOH C 643 -13.376 13.712 8.811 1.00 30.16 O +HETATM 4164 O HOH C 644 -6.838 39.980 -2.739 1.00 23.63 O +HETATM 4165 O HOH C 645 -4.634 45.306 1.695 1.00 24.03 O +HETATM 4166 O HOH C 646 -11.136 25.369 20.690 1.00 24.09 O +HETATM 4167 O HOH C 647 11.102 48.742 8.303 1.00 30.55 O +HETATM 4168 O HOH C 648 -7.801 29.281 21.413 1.00 30.56 O +HETATM 4169 O HOH C 649 -16.043 21.181 9.133 1.00 24.15 O +HETATM 4170 O HOH C 650 -16.383 10.794 8.131 1.00 24.29 O +HETATM 4171 O HOH C 651 -12.218 23.969 10.747 1.00 24.46 O +HETATM 4172 O HOH C 652 -9.174 10.487 18.450 1.00 30.69 O +HETATM 4173 O HOH C 653 -7.480 11.027 5.794 1.00 24.80 O +HETATM 4174 O HOH C 654 -12.900 43.661 6.747 1.00 25.02 O +HETATM 4175 O HOH C 655 -5.550 48.783 16.943 1.00 30.88 O +HETATM 4176 O HOH C 656 7.405 40.381 -0.565 1.00 25.28 O +HETATM 4177 O HOH C 657 -3.022 34.016 -9.774 1.00 30.94 O +HETATM 4178 O HOH C 658 -3.265 44.910 -4.327 1.00 26.07 O +HETATM 4179 O HOH C 659 -5.807 20.990 -9.314 1.00 30.97 O +HETATM 4180 O HOH C 660 -5.444 32.605 -8.961 1.00 26.29 O +HETATM 4181 O HOH C 661 -12.121 30.927 11.169 1.00 26.43 O +HETATM 4182 O HOH C 662 -17.174 17.553 22.630 1.00 31.30 O +HETATM 4183 O HOH C 663 5.408 24.728 3.271 1.00 26.52 O +HETATM 4184 O HOH C 664 -7.940 44.520 3.239 1.00 26.68 O +HETATM 4185 O HOH C 665 -9.753 28.726 29.125 1.00 27.06 O +HETATM 4186 O HOH C 666 -16.093 35.301 32.537 1.00 31.48 O +HETATM 4187 O HOH C 667 -10.620 10.217 2.586 1.00 27.19 O +HETATM 4188 O HOH C 668 6.511 50.412 5.876 1.00 31.86 O +HETATM 4189 O HOH C 669 -6.837 12.409 0.905 1.00 31.91 O +HETATM 4190 O HOH C 670 -13.169 45.708 5.041 1.00 31.98 O +HETATM 4191 O HOH C 671 -1.885 44.928 16.450 1.00 32.05 O +HETATM 4192 O HOH C 672 -1.803 12.813 -0.331 1.00 32.16 O +HETATM 4193 O HOH C 673 -15.836 15.294 18.880 1.00 32.19 O +HETATM 4194 O HOH C 674 -4.277 50.633 19.195 1.00 32.25 O +HETATM 4195 O HOH C 675 -11.163 17.731 26.387 1.00 32.50 O +HETATM 4196 O HOH C 676 -8.791 34.064 -8.110 1.00 32.67 O +HETATM 4197 O HOH C 677 -2.027 15.281 -8.395 1.00 32.95 O +HETATM 4198 O HOH C 678 -17.196 22.358 20.581 1.00 33.19 O +HETATM 4199 O HOH C 679 -6.679 41.800 -0.803 1.00 33.22 O +HETATM 4200 O HOH C 680 -9.395 26.441 15.601 1.00 33.27 O +HETATM 4201 O HOH C 681 5.614 25.260 9.956 1.00 33.57 O +HETATM 4202 O HOH C 682 1.143 10.862 6.508 1.00 33.67 O +HETATM 4203 O HOH C 683 -1.660 47.562 19.155 1.00 33.86 O +HETATM 4204 O HOH C 684 -5.622 28.577 18.853 1.00 34.92 O +HETATM 4205 O HOH C 685 -8.442 9.077 4.384 1.00 35.02 O +HETATM 4206 O HOH C 686 -2.225 46.378 -2.209 1.00 35.26 O +HETATM 4207 O HOH C 687 -13.036 40.199 9.437 1.00 35.37 O +HETATM 4208 O HOH C 688 -1.741 9.147 4.388 1.00 35.39 O +HETATM 4209 O HOH C 689 -1.913 32.965 0.659 1.00 35.54 O +HETATM 4210 O HOH C 690 10.789 50.430 10.316 1.00 35.56 O +HETATM 4211 O HOH C 691 -15.002 23.099 7.540 1.00 35.56 O +HETATM 4212 O HOH C 692 -9.532 40.521 -2.632 1.00 35.61 O +HETATM 4213 O HOH C 693 -1.863 48.234 21.761 1.00 35.78 O +HETATM 4214 O HOH C 694 -6.990 6.658 14.339 1.00 35.81 O +HETATM 4215 O HOH C 695 -13.217 28.360 10.039 1.00 36.11 O +HETATM 4216 O HOH C 696 -7.754 28.070 32.476 1.00 36.14 O +HETATM 4217 O HOH C 697 -2.132 49.843 17.673 1.00 36.23 O +HETATM 4218 O HOH C 698 -13.323 26.836 21.538 1.00 36.28 O +HETATM 4219 O HOH C 699 -13.087 37.861 9.266 1.00 37.36 O +HETATM 4220 O HOH C 700 3.701 48.574 7.936 1.00 38.15 O +HETATM 4221 O HOH C 701 4.758 27.165 7.520 1.00 38.78 O +HETATM 4222 O HOH C 702 -9.573 15.719 25.812 1.00 39.37 O +HETATM 4223 O HOH C 703 -16.176 31.524 5.179 1.00 39.47 O +HETATM 4224 O HOH C 704 -13.507 36.909 2.364 1.00 39.47 O +HETATM 4225 O HOH C 705 -13.567 29.247 7.467 1.00 39.87 O +HETATM 4226 O HOH C 706 -8.332 21.790 -7.942 1.00 39.88 O +HETATM 4227 O HOH C 707 -14.172 37.359 13.434 1.00 39.91 O +HETATM 4228 O HOH C 708 -14.690 33.882 1.798 1.00 39.95 O +HETATM 4229 O HOH C 709 -7.681 30.870 33.415 1.00 40.23 O +HETATM 4230 O HOH C 710 2.933 50.441 3.870 1.00 41.04 O +HETATM 4231 O HOH C 711 -12.471 15.644 5.535 1.00 41.09 O +HETATM 4232 O HOH C 712 -1.783 9.084 1.670 1.00 41.99 O +HETATM 4233 O HOH C 713 -8.671 42.373 0.704 1.00 42.51 O +HETATM 4234 O HOH C 714 4.655 18.458 11.023 1.00 42.56 O +HETATM 4235 O HOH C 715 -10.612 32.085 -8.036 1.00 42.59 O +HETATM 4236 O HOH C 716 -3.035 44.674 -6.724 1.00 42.82 O +HETATM 4237 O HOH C 717 -18.052 19.559 14.426 1.00 42.90 O +HETATM 4238 O HOH C 718 -11.134 13.175 -3.030 1.00 42.98 O +HETATM 4239 O HOH C 719 -5.546 36.330 30.461 1.00 43.00 O +HETATM 4240 O HOH C 720 -15.402 20.407 13.364 1.00 43.37 O +HETATM 4241 O HOH C 721 -20.784 10.446 13.513 1.00 43.97 O +HETATM 4242 O HOH C 722 3.370 20.468 11.410 1.00 44.06 O +HETATM 4243 O HOH C 723 -7.353 8.990 17.515 1.00 44.14 O +HETATM 4244 O HOH C 724 -11.501 38.759 -2.357 1.00 44.42 O +HETATM 4245 O HOH C 725 -3.800 45.617 18.911 1.00 44.65 O +HETATM 4246 O HOH C 726 -15.563 10.010 13.289 1.00 44.88 O +HETATM 4247 O HOH C 727 1.380 9.995 -5.506 1.00 46.04 O +HETATM 4248 O HOH C 728 -3.429 49.301 3.998 1.00 46.34 O +HETATM 4249 O HOH C 729 -7.251 26.893 -9.739 1.00 46.88 O +HETATM 4250 O HOH C 730 -5.667 43.014 -5.050 1.00 47.00 O +HETATM 4251 O HOH C 731 -5.477 44.073 -1.435 1.00 47.28 O +HETATM 4252 O HOH C 732 -18.683 25.551 28.481 1.00 47.44 O +HETATM 4253 O HOH C 733 -8.741 18.840 28.564 1.00 47.47 O +HETATM 4254 O HOH C 734 -13.862 35.693 6.424 1.00 47.78 O +HETATM 4255 O HOH C 735 5.122 12.909 0.083 1.00 48.12 O +HETATM 4256 O HOH C 736 -13.219 41.517 3.303 1.00 48.46 O +HETATM 4257 O HOH C 737 -7.776 39.065 32.272 1.00 49.16 O +HETATM 4258 O HOH C 738 -12.419 36.491 -0.978 1.00 49.18 O +HETATM 4259 O HOH C 739 -17.932 36.286 17.592 1.00 49.22 O +HETATM 4260 O HOH C 740 -12.597 37.463 4.885 1.00 49.26 O +HETATM 4261 O HOH C 741 -5.387 9.319 -0.743 1.00 49.37 O +HETATM 4262 O HOH C 742 4.600 19.074 5.289 1.00 49.42 O +HETATM 4263 O HOH C 743 0.993 50.181 13.594 1.00 49.53 O +HETATM 4264 O HOH C 744 -5.932 12.541 24.438 1.00 49.59 O +HETATM 4265 O HOH C 745 9.159 49.417 12.044 1.00 50.15 O +HETATM 4266 O HOH C 746 6.533 22.069 4.529 1.00 50.19 O +HETATM 4267 O HOH C 747 -13.329 36.127 11.217 1.00 50.36 O +HETATM 4268 O HOH C 748 -17.437 18.016 26.528 1.00 50.73 O +HETATM 4269 O HOH C 749 -2.369 49.002 1.747 1.00 51.21 O +HETATM 4270 O HOH C 750 -12.137 35.300 -5.523 1.00 51.37 O +HETATM 4271 O HOH C 751 -17.912 16.320 19.829 1.00 51.68 O +HETATM 4272 O HOH C 752 -5.429 7.000 19.778 1.00 52.48 O +HETATM 4273 O HOH C 753 7.269 51.299 10.835 1.00 52.81 O +HETATM 4274 O HOH C 754 -13.840 31.899 -3.014 1.00 52.99 O +HETATM 4275 O HOH C 755 -9.809 29.023 31.716 1.00 53.53 O +HETATM 4276 O HOH C 756 -15.881 28.169 29.534 1.00 54.51 O +HETATM 4277 O HOH C 757 -12.696 17.256 28.500 1.00 54.68 O +HETATM 4278 O HOH C 758 0.567 47.220 17.134 1.00 54.75 O +HETATM 4279 O HOH C 759 -11.527 44.844 3.192 1.00 54.80 O +HETATM 4280 O HOH C 760 -13.957 33.710 9.263 1.00 55.21 O +HETATM 4281 O HOH C 761 -18.262 22.177 10.796 1.00 55.46 O +HETATM 4282 O HOH C 762 -1.760 18.761 -10.578 1.00 55.98 O +HETATM 4283 O HOH C 763 -5.319 47.934 2.133 1.00 56.15 O +HETATM 4284 O HOH C 764 -11.362 31.416 -5.463 1.00 56.90 O +HETATM 4285 O HOH C 765 -12.366 25.258 13.713 1.00 56.97 O +HETATM 4286 O HOH C 766 4.438 9.920 0.911 1.00 57.33 O +HETATM 4287 O HOH C 767 -15.586 27.238 5.692 1.00 58.98 O +HETATM 4288 O HOH C 768 -9.078 42.388 -4.616 1.00 60.40 O +HETATM 4289 O HOH C 769 -18.425 32.109 2.659 1.00 69.90 O +CONECT 3 9 10 +CONECT 9 3 11 +CONECT 10 3 12 +CONECT 11 9 13 17 +CONECT 12 10 14 18 +CONECT 13 11 15 25 +CONECT 14 12 16 25 +CONECT 15 13 +CONECT 16 14 +CONECT 17 11 19 +CONECT 18 12 20 +CONECT 19 17 21 +CONECT 20 18 22 +CONECT 21 19 23 +CONECT 22 20 24 +CONECT 23 21 +CONECT 24 22 +CONECT 25 13 14 +CONECT 597 604 +CONECT 604 597 605 +CONECT 605 604 606 608 +CONECT 606 605 607 612 +CONECT 607 606 +CONECT 608 605 609 +CONECT 609 608 610 +CONECT 610 609 611 +CONECT 611 610 +CONECT 612 606 +CONECT 700 704 +CONECT 704 700 705 +CONECT 705 704 706 708 +CONECT 706 705 707 712 +CONECT 707 706 +CONECT 708 705 709 +CONECT 709 708 710 +CONECT 710 709 711 +CONECT 711 710 +CONECT 712 706 +CONECT 764 3640 +CONECT 782 3640 +CONECT 887 3640 +CONECT 1221 1227 1228 +CONECT 1227 1221 1229 +CONECT 1228 1221 1230 +CONECT 1229 1227 1231 1235 +CONECT 1230 1228 1232 1236 +CONECT 1231 1229 1233 1243 +CONECT 1232 1230 1234 1243 +CONECT 1233 1231 +CONECT 1234 1232 +CONECT 1235 1229 1237 +CONECT 1236 1230 1238 +CONECT 1237 1235 1239 +CONECT 1238 1236 1240 +CONECT 1239 1237 1241 +CONECT 1240 1238 1242 +CONECT 1241 1239 +CONECT 1242 1240 +CONECT 1243 1231 1232 +CONECT 1392 3680 +CONECT 1754 1761 +CONECT 1761 1754 1762 +CONECT 1762 1761 1763 1765 +CONECT 1763 1762 1764 1769 +CONECT 1764 1763 +CONECT 1765 1762 1766 +CONECT 1766 1765 1767 +CONECT 1767 1766 1768 +CONECT 1768 1767 +CONECT 1769 1763 +CONECT 1850 1854 +CONECT 1854 1850 1855 +CONECT 1855 1854 1856 1858 +CONECT 1856 1855 1857 1862 +CONECT 1857 1856 +CONECT 1858 1855 1859 +CONECT 1859 1858 1860 +CONECT 1860 1859 1861 +CONECT 1861 1860 +CONECT 1862 1856 +CONECT 1932 3679 +CONECT 1950 3679 +CONECT 2054 3679 +CONECT 2394 2400 2401 +CONECT 2400 2394 2402 +CONECT 2401 2394 2403 +CONECT 2402 2400 2404 2408 +CONECT 2403 2401 2405 2409 +CONECT 2404 2402 2406 2416 +CONECT 2405 2403 2407 2416 +CONECT 2406 2404 +CONECT 2407 2405 +CONECT 2408 2402 2410 +CONECT 2409 2403 2411 +CONECT 2410 2408 2412 +CONECT 2411 2409 2413 +CONECT 2412 2410 2414 +CONECT 2413 2411 2415 +CONECT 2414 2412 +CONECT 2415 2413 +CONECT 2416 2404 2405 +CONECT 2986 2993 +CONECT 2993 2986 2994 +CONECT 2994 2993 2995 2997 +CONECT 2995 2994 2996 3001 +CONECT 2996 2995 +CONECT 2997 2994 2998 +CONECT 2998 2997 2999 +CONECT 2999 2998 3000 +CONECT 3000 2999 +CONECT 3001 2995 +CONECT 3089 3093 +CONECT 3093 3089 3094 +CONECT 3094 3093 3095 3097 +CONECT 3095 3094 3096 3101 +CONECT 3096 3095 +CONECT 3097 3094 3098 +CONECT 3098 3097 3099 +CONECT 3099 3098 3100 +CONECT 3100 3099 +CONECT 3101 3095 +CONECT 3640 764 782 887 3929 +CONECT 3640 3930 +CONECT 3641 3642 3643 3644 3645 +CONECT 3642 3641 +CONECT 3643 3641 +CONECT 3644 3641 +CONECT 3645 3641 +CONECT 3646 3647 3648 3649 3650 +CONECT 3647 3646 +CONECT 3648 3646 +CONECT 3649 3646 +CONECT 3650 3646 +CONECT 3651 3652 3653 3654 3655 +CONECT 3652 3651 +CONECT 3653 3651 +CONECT 3654 3651 +CONECT 3655 3651 +CONECT 3656 3657 +CONECT 3657 3656 3658 +CONECT 3658 3657 3659 +CONECT 3659 3658 3661 +CONECT 3660 3661 3662 +CONECT 3661 3659 3660 +CONECT 3662 3660 3664 +CONECT 3663 3664 3665 +CONECT 3664 3662 3663 +CONECT 3665 3663 3667 +CONECT 3666 3667 3668 +CONECT 3667 3665 3666 +CONECT 3668 3666 3670 +CONECT 3669 3670 3671 +CONECT 3670 3668 3669 +CONECT 3671 3669 +CONECT 3672 3674 +CONECT 3673 3674 3675 +CONECT 3674 3672 3673 +CONECT 3675 3673 3677 +CONECT 3676 3677 3678 +CONECT 3677 3675 3676 +CONECT 3678 3676 +CONECT 3679 1932 1950 2054 4039 +CONECT 3679 4048 +CONECT 3680 1392 +CONECT 3681 3682 3683 3684 3685 +CONECT 3682 3681 +CONECT 3683 3681 +CONECT 3684 3681 +CONECT 3685 3681 +CONECT 3686 3687 3688 3689 3690 +CONECT 3687 3686 +CONECT 3688 3686 +CONECT 3689 3686 +CONECT 3690 3686 +CONECT 3691 3692 3693 3694 3695 +CONECT 3692 3691 +CONECT 3693 3691 +CONECT 3694 3691 +CONECT 3695 3691 +CONECT 3696 3698 +CONECT 3697 3698 3699 +CONECT 3698 3696 3697 +CONECT 3699 3697 3701 +CONECT 3700 3701 3702 +CONECT 3701 3699 3700 +CONECT 3702 3700 +CONECT 3703 3704 3705 3706 3707 +CONECT 3704 3703 +CONECT 3705 3703 +CONECT 3706 3703 +CONECT 3707 3703 +CONECT 3708 3709 3710 3711 3712 +CONECT 3709 3708 +CONECT 3710 3708 +CONECT 3711 3708 +CONECT 3712 3708 +CONECT 3713 3714 +CONECT 3714 3713 3715 +CONECT 3715 3714 3716 +CONECT 3716 3715 3718 +CONECT 3717 3718 3719 +CONECT 3718 3716 3717 +CONECT 3719 3717 3721 +CONECT 3720 3721 3722 +CONECT 3721 3719 3720 +CONECT 3722 3720 3724 +CONECT 3723 3724 3725 +CONECT 3724 3722 3723 +CONECT 3725 3723 3727 +CONECT 3726 3727 3728 +CONECT 3727 3725 3726 +CONECT 3728 3726 +CONECT 3729 3731 +CONECT 3730 3731 3732 +CONECT 3731 3729 3730 +CONECT 3732 3730 3734 +CONECT 3733 3734 3735 +CONECT 3734 3732 3733 +CONECT 3735 3733 +CONECT 3929 3640 +CONECT 3930 3640 +CONECT 4039 3679 +CONECT 4048 3679 +MASTER 486 0 25 3 42 0 31 6 3991 3 223 36 +END diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/pdbs/4YOW.pdb b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/pdbs/4YOW.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cb4b88cc84ce01e76e23fcf9c43749e35494b4cb --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_complexes/pdbs/4YOW.pdb @@ -0,0 +1,11924 @@ +HEADER HYDROLASE/DNA 12-MAR-15 4YOW +TITLE CRYSTAL STRUCTURE OF A TRIMERIC EXONUCLEASE PHOEXO I FROM PYROCOCCUS +TITLE 2 HORIKOSHII OT3 IN COMPLEX WITH POLY-DC +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: 3-5 EXONUCLEASE PHOEXO I; +COMPND 3 CHAIN: A, C, E; +COMPND 4 ENGINEERED: YES; +COMPND 5 MUTATION: YES; +COMPND 6 MOL_ID: 2; +COMPND 7 MOLECULE: 5'-D(*CP*CP*CP*CP*CP*CP*C)-3'; +COMPND 8 CHAIN: B, D, F; +COMPND 9 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; +SOURCE 3 ORGANISM_TAXID: 53953; +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 6 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3); +SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET26B; +SOURCE 9 MOL_ID: 2; +SOURCE 10 SYNTHETIC: YES; +SOURCE 11 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; +SOURCE 12 ORGANISM_TAXID: 32630 +KEYWDS EXONUCLEASE, HYDROLASE-DNA COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR K.MIYAZONO,T.ITO,M.TANOKURA +REVDAT 3 05-FEB-20 4YOW 1 SOURCE JRNL REMARK +REVDAT 2 16-SEP-15 4YOW 1 JRNL +REVDAT 1 15-JUL-15 4YOW 0 +JRNL AUTH K.MIYAZONO,S.ISHINO,K.TSUTSUMI,T.ITO,Y.ISHINO,M.TANOKURA +JRNL TITL STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION AND PROCESSIVE +JRNL TITL 2 CLEAVAGE MECHANISMS OF THE TRIMERIC EXONUCLEASE PHOEXO I +JRNL REF NUCLEIC ACIDS RES. V. 43 7122 2015 +JRNL REFN ESSN 1362-4962 +JRNL PMID 26138487 +JRNL DOI 10.1093/NAR/GKV654 +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : ML +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.98 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.360 +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.3 +REMARK 3 NUMBER OF REFLECTIONS : 32486 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.204 +REMARK 3 R VALUE (WORKING SET) : 0.202 +REMARK 3 FREE R VALUE : 0.240 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.090 +REMARK 3 FREE R VALUE TEST SET COUNT : 1653 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 19.9838 - 5.6833 1.00 2761 136 0.1546 0.1816 +REMARK 3 2 5.6833 - 4.5283 1.00 2630 132 0.1559 0.2101 +REMARK 3 3 4.5283 - 3.9609 1.00 2608 148 0.1746 0.2141 +REMARK 3 4 3.9609 - 3.6011 1.00 2561 143 0.1834 0.2406 +REMARK 3 5 3.6011 - 3.3442 1.00 2588 138 0.2281 0.2537 +REMARK 3 6 3.3442 - 3.1479 1.00 2579 127 0.2382 0.2468 +REMARK 3 7 3.1479 - 2.9908 1.00 2565 141 0.2509 0.2754 +REMARK 3 8 2.9908 - 2.8610 1.00 2564 121 0.2656 0.2748 +REMARK 3 9 2.8610 - 2.7511 1.00 2539 145 0.2745 0.3211 +REMARK 3 10 2.7511 - 2.6564 0.99 2527 144 0.2904 0.2837 +REMARK 3 11 2.6564 - 2.5735 0.98 2487 126 0.3159 0.3796 +REMARK 3 12 2.5735 - 2.5001 0.96 2424 152 0.3459 0.3980 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : NULL +REMARK 3 B_SOL : NULL +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.370 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.520 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 52.40 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 69.59 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.003 5727 +REMARK 3 ANGLE : 0.718 7776 +REMARK 3 CHIRALITY : 0.028 891 +REMARK 3 PLANARITY : 0.004 948 +REMARK 3 DIHEDRAL : 11.744 2205 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 12 +REMARK 3 TLS GROUP : 1 +REMARK 3 SELECTION: CHAIN 'A' AND (RESID 1 THROUGH 55 ) +REMARK 3 ORIGIN FOR THE GROUP (A): -2.7936 40.2648 -4.7467 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4897 T22: 0.6633 +REMARK 3 T33: 0.4167 T12: -0.2400 +REMARK 3 T13: -0.0332 T23: -0.0041 +REMARK 3 L TENSOR +REMARK 3 L11: 5.1145 L22: 1.7520 +REMARK 3 L33: 1.5083 L12: 0.5839 +REMARK 3 L13: -0.2890 L23: 0.3229 +REMARK 3 S TENSOR +REMARK 3 S11: -0.2933 S12: 0.2031 S13: -0.1260 +REMARK 3 S21: -0.1879 S22: 0.1351 S23: 0.5734 +REMARK 3 S31: 0.5643 S32: -0.7330 S33: 0.1249 +REMARK 3 TLS GROUP : 2 +REMARK 3 SELECTION: CHAIN 'A' AND (RESID 56 THROUGH 173 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 4.0023 33.2847 -5.6856 +REMARK 3 T TENSOR +REMARK 3 T11: 0.5807 T22: 0.5299 +REMARK 3 T33: 0.4834 T12: -0.2637 +REMARK 3 T13: 0.0451 T23: -0.0427 +REMARK 3 L TENSOR +REMARK 3 L11: 2.4971 L22: 2.5385 +REMARK 3 L33: 3.9927 L12: 0.1083 +REMARK 3 L13: -1.0513 L23: 0.6663 +REMARK 3 S TENSOR +REMARK 3 S11: -0.3557 S12: 0.3259 S13: -0.6278 +REMARK 3 S21: -0.2759 S22: 0.1381 S23: 0.3120 +REMARK 3 S31: 0.8429 S32: -0.4965 S33: 0.1681 +REMARK 3 TLS GROUP : 3 +REMARK 3 SELECTION: CHAIN 'A' AND (RESID 174 THROUGH 227 ) +REMARK 3 ORIGIN FOR THE GROUP (A): -7.0270 51.7843 1.8099 +REMARK 3 T TENSOR +REMARK 3 T11: 0.3873 T22: 0.7154 +REMARK 3 T33: 0.6124 T12: -0.0155 +REMARK 3 T13: -0.0916 T23: 0.0358 +REMARK 3 L TENSOR +REMARK 3 L11: 2.3318 L22: 2.2450 +REMARK 3 L33: 2.9723 L12: 0.0912 +REMARK 3 L13: -1.2123 L23: 0.1704 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0745 S12: 0.5213 S13: 0.2010 +REMARK 3 S21: -0.3260 S22: 0.1646 S23: 0.8161 +REMARK 3 S31: -0.1054 S32: -1.1749 S33: -0.0922 +REMARK 3 TLS GROUP : 4 +REMARK 3 SELECTION: CHAIN 'B' AND (RESID 8 THROUGH 11 ) +REMARK 3 ORIGIN FOR THE GROUP (A): -1.5030 32.7923 4.5648 +REMARK 3 T TENSOR +REMARK 3 T11: 0.6928 T22: 0.6356 +REMARK 3 T33: 0.7995 T12: -0.1647 +REMARK 3 T13: 0.1698 T23: -0.0732 +REMARK 3 L TENSOR +REMARK 3 L11: 8.6455 L22: 6.2907 +REMARK 3 L33: 6.9354 L12: -0.3639 +REMARK 3 L13: 3.3230 L23: 2.2271 +REMARK 3 S TENSOR +REMARK 3 S11: -0.7484 S12: 0.8416 S13: -0.0937 +REMARK 3 S21: 0.5930 S22: -1.0173 S23: -0.3180 +REMARK 3 S31: 0.6274 S32: -0.3986 S33: 1.3517 +REMARK 3 TLS GROUP : 5 +REMARK 3 SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 55 ) +REMARK 3 ORIGIN FOR THE GROUP (A): -6.3648 45.4988 32.7615 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4452 T22: 0.4046 +REMARK 3 T33: 0.4869 T12: -0.0317 +REMARK 3 T13: 0.1249 T23: -0.0510 +REMARK 3 L TENSOR +REMARK 3 L11: 5.8544 L22: 1.1197 +REMARK 3 L33: 5.8934 L12: 0.3791 +REMARK 3 L13: 2.4304 L23: 0.1836 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0426 S12: -0.5648 S13: -0.0795 +REMARK 3 S21: 0.3306 S22: -0.0142 S23: 0.3276 +REMARK 3 S31: -0.1128 S32: -0.6767 S33: -0.0840 +REMARK 3 TLS GROUP : 6 +REMARK 3 SELECTION: CHAIN 'C' AND (RESID 56 THROUGH 138 ) +REMARK 3 ORIGIN FOR THE GROUP (A): -12.8764 30.6590 28.3349 +REMARK 3 T TENSOR +REMARK 3 T11: 0.5051 T22: 0.5957 +REMARK 3 T33: 0.6933 T12: -0.1875 +REMARK 3 T13: 0.0424 T23: 0.0176 +REMARK 3 L TENSOR +REMARK 3 L11: 4.7369 L22: 5.1497 +REMARK 3 L33: 3.6215 L12: -0.3267 +REMARK 3 L13: -0.2649 L23: 0.0653 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0963 S12: -0.2659 S13: -0.8321 +REMARK 3 S21: 0.4880 S22: -0.1068 S23: 0.5864 +REMARK 3 S31: 0.6089 S32: -0.6031 S33: -0.0099 +REMARK 3 TLS GROUP : 7 +REMARK 3 SELECTION: CHAIN 'C' AND (RESID 139 THROUGH 227 ) +REMARK 3 ORIGIN FOR THE GROUP (A): -0.4981 55.0102 31.1144 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4235 T22: 0.3916 +REMARK 3 T33: 0.5635 T12: 0.0094 +REMARK 3 T13: 0.0804 T23: -0.0993 +REMARK 3 L TENSOR +REMARK 3 L11: 3.8149 L22: 2.3743 +REMARK 3 L33: 2.0901 L12: 0.5536 +REMARK 3 L13: 0.8231 L23: 0.5703 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1227 S12: -0.3454 S13: 0.7004 +REMARK 3 S21: 0.4003 S22: -0.1000 S23: 0.4004 +REMARK 3 S31: -0.3137 S32: -0.5000 S33: 0.1731 +REMARK 3 TLS GROUP : 8 +REMARK 3 SELECTION: CHAIN 'D' AND (RESID 8 THROUGH 11 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 1.7833 37.0305 29.9572 +REMARK 3 T TENSOR +REMARK 3 T11: 0.9678 T22: 0.7087 +REMARK 3 T33: 1.0537 T12: -0.0804 +REMARK 3 T13: 0.1251 T23: -0.1154 +REMARK 3 L TENSOR +REMARK 3 L11: 1.3128 L22: 4.0857 +REMARK 3 L33: 6.5087 L12: -1.8991 +REMARK 3 L13: -2.3804 L23: 5.1790 +REMARK 3 S TENSOR +REMARK 3 S11: 0.5225 S12: -0.2555 S13: -1.1028 +REMARK 3 S21: 0.1490 S22: -1.5719 S23: 1.6240 +REMARK 3 S31: 0.6810 S32: -0.5622 S33: 1.1910 +REMARK 3 TLS GROUP : 9 +REMARK 3 SELECTION: CHAIN 'E' AND (RESID 1 THROUGH 55 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 28.0026 47.7775 16.5848 +REMARK 3 T TENSOR +REMARK 3 T11: 0.3579 T22: 0.5078 +REMARK 3 T33: 0.4363 T12: 0.0128 +REMARK 3 T13: 0.0104 T23: -0.0725 +REMARK 3 L TENSOR +REMARK 3 L11: 1.7624 L22: 1.8966 +REMARK 3 L33: 8.3842 L12: 0.9145 +REMARK 3 L13: -0.0168 L23: 1.4986 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0079 S12: 0.2530 S13: -0.1285 +REMARK 3 S21: -0.1381 S22: 0.2443 S23: -0.4085 +REMARK 3 S31: 0.2843 S32: 1.5356 S33: -0.2274 +REMARK 3 TLS GROUP : 10 +REMARK 3 SELECTION: CHAIN 'E' AND (RESID 56 THROUGH 138 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 28.5699 36.7023 29.3421 +REMARK 3 T TENSOR +REMARK 3 T11: 0.8058 T22: 0.5447 +REMARK 3 T33: 0.6822 T12: 0.1583 +REMARK 3 T13: -0.1375 T23: -0.0872 +REMARK 3 L TENSOR +REMARK 3 L11: 4.0948 L22: 2.3877 +REMARK 3 L33: 5.0008 L12: -1.8095 +REMARK 3 L13: -0.7505 L23: -0.9521 +REMARK 3 S TENSOR +REMARK 3 S11: 0.2734 S12: 0.2284 S13: -1.0592 +REMARK 3 S21: 0.0498 S22: 0.0334 S23: -0.2566 +REMARK 3 S31: 1.5166 S32: 0.9044 S33: -0.1794 +REMARK 3 TLS GROUP : 11 +REMARK 3 SELECTION: CHAIN 'E' AND (RESID 139 THROUGH 227 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 23.1294 54.9010 9.2483 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4138 T22: 0.4746 +REMARK 3 T33: 0.4025 T12: -0.1144 +REMARK 3 T13: 0.0142 T23: 0.0087 +REMARK 3 L TENSOR +REMARK 3 L11: 2.8221 L22: 1.6127 +REMARK 3 L33: 5.3257 L12: 0.8568 +REMARK 3 L13: 0.1087 L23: -0.4120 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1886 S12: 0.5065 S13: 0.3598 +REMARK 3 S21: -0.2328 S22: 0.1952 S23: -0.1755 +REMARK 3 S31: -0.6645 S32: 0.7269 S33: -0.0355 +REMARK 3 TLS GROUP : 12 +REMARK 3 SELECTION: CHAIN 'F' AND (RESID 8 THROUGH 11 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 22.4154 37.4843 14.1990 +REMARK 3 T TENSOR +REMARK 3 T11: 1.0127 T22: 1.1257 +REMARK 3 T33: 1.2077 T12: 0.2089 +REMARK 3 T13: 0.0558 T23: 0.1487 +REMARK 3 L TENSOR +REMARK 3 L11: 4.1805 L22: 0.8411 +REMARK 3 L33: 2.9361 L12: -0.2874 +REMARK 3 L13: 0.2942 L23: 1.4722 +REMARK 3 S TENSOR +REMARK 3 S11: -0.2420 S12: -0.5247 S13: -1.4953 +REMARK 3 S21: 0.1568 S22: 0.1428 S23: 1.0681 +REMARK 3 S31: 1.5960 S32: 1.7609 S33: 0.0238 +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 4YOW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-MAR-15. +REMARK 100 THE DEPOSITION ID IS D_1000207861. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 25-JAN-14 +REMARK 200 TEMPERATURE (KELVIN) : 95 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : PHOTON FACTORY +REMARK 200 BEAMLINE : BL-5A +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : SCALA 3.3.20 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32549 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 75.051 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 +REMARK 200 DATA REDUNDANCY : 6.800 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.08100 +REMARK 200 FOR THE DATA SET : 15.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.64 +REMARK 200 COMPLETENESS FOR SHELL (%) : 97.2 +REMARK 200 DATA REDUNDANCY IN SHELL : 6.00 +REMARK 200 R MERGE FOR SHELL (I) : 0.95800 +REMARK 200 R SYM FOR SHELL (I) : 0.95800 +REMARK 200 FOR SHELL : 0.800 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: MOLREP +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 55.92 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: MES, PEG6000, LICL, PH 5.6, VAPOR +REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 293K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 40.78450 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 56.59050 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 50.13250 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 56.59050 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 40.78450 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 50.13250 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 8870 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 28250 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -42.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 LYS A 228 +REMARK 465 SER A 229 +REMARK 465 HIS A 230 +REMARK 465 HIS A 231 +REMARK 465 HIS A 232 +REMARK 465 HIS A 233 +REMARK 465 DC B 8 +REMARK 465 DC B 9 +REMARK 465 DC B 10 +REMARK 465 LYS C 228 +REMARK 465 SER C 229 +REMARK 465 HIS C 230 +REMARK 465 HIS C 231 +REMARK 465 HIS C 232 +REMARK 465 HIS C 233 +REMARK 465 DC D 8 +REMARK 465 DC D 9 +REMARK 465 DC D 10 +REMARK 465 LYS E 228 +REMARK 465 SER E 229 +REMARK 465 HIS E 230 +REMARK 465 HIS E 231 +REMARK 465 HIS E 232 +REMARK 465 HIS E 233 +REMARK 465 DC F 8 +REMARK 465 DC F 9 +REMARK 465 DC F 10 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 SER A 73 70.06 48.56 +REMARK 500 TYR A 173 57.48 37.98 +REMARK 500 SER C 73 70.21 48.64 +REMARK 500 TYR C 173 57.02 37.85 +REMARK 500 SER E 73 70.01 47.31 +REMARK 500 TYR E 173 57.38 37.48 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4YOR RELATED DB: PDB +REMARK 900 RELATED ID: 4YOT RELATED DB: PDB +REMARK 900 RELATED ID: 4YOU RELATED DB: PDB +REMARK 900 RELATED ID: 4YOV RELATED DB: PDB +REMARK 900 RELATED ID: 4YOX RELATED DB: PDB +REMARK 900 RELATED ID: 4YOY RELATED DB: PDB +DBREF1 4YOW A 1 229 UNP A0A060P168_PYRHR +DBREF2 4YOW A A0A060P168 1 229 +DBREF 4YOW B 4 10 PDB 4YOW 4YOW 4 10 +DBREF1 4YOW C 1 229 UNP A0A060P168_PYRHR +DBREF2 4YOW C A0A060P168 1 229 +DBREF 4YOW D 4 10 PDB 4YOW 4YOW 4 10 +DBREF1 4YOW E 1 229 UNP A0A060P168_PYRHR +DBREF2 4YOW E A0A060P168 1 229 +DBREF 4YOW F 4 10 PDB 4YOW 4YOW 4 10 +SEQADV 4YOW ASN A 80 UNP A0A060P16 ASP 80 ENGINEERED MUTATION +SEQADV 4YOW HIS A 230 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS A 231 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS A 232 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS A 233 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW ASN C 80 UNP A0A060P16 ASP 80 ENGINEERED MUTATION +SEQADV 4YOW HIS C 230 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS C 231 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS C 232 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS C 233 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW ASN E 80 UNP A0A060P16 ASP 80 ENGINEERED MUTATION +SEQADV 4YOW HIS E 230 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS E 231 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS E 232 UNP A0A060P16 EXPRESSION TAG +SEQADV 4YOW HIS E 233 UNP A0A060P16 EXPRESSION TAG +SEQRES 1 A 233 MET ARG ILE VAL ALA ALA ASP THR GLY GLY ALA VAL LEU +SEQRES 2 A 233 ASP GLU SER PHE GLN PRO VAL GLY LEU ILE ALA THR VAL +SEQRES 3 A 233 ALA VAL LEU VAL GLU LYS PRO TYR LYS THR SER LYS ARG +SEQRES 4 A 233 PHE LEU VAL LYS TYR ALA ASP PRO TYR ASN TYR ASP LEU +SEQRES 5 A 233 SER GLY ARG GLN ALA ILE ARG ASP GLU ILE GLU LEU ALA +SEQRES 6 A 233 ILE GLU LEU ALA ARG GLU VAL SER PRO ASP VAL ILE HIS +SEQRES 7 A 233 LEU ASN SER THR LEU GLY GLY ILE GLU VAL ARG LYS LEU +SEQRES 8 A 233 ASP GLU SER THR ILE ASP ALA LEU GLN ILE SER ASP ARG +SEQRES 9 A 233 GLY LYS GLU ILE TRP LYS GLU LEU SER LYS ASP LEU GLN +SEQRES 10 A 233 PRO LEU ALA LYS LYS PHE TRP GLU GLU THR GLY ILE GLU +SEQRES 11 A 233 ILE ILE ALA ILE GLY LYS SER SER VAL PRO VAL ARG ILE +SEQRES 12 A 233 ALA GLU ILE TYR ALA GLY ILE PHE SER VAL LYS TRP ALA +SEQRES 13 A 233 LEU ASP ASN VAL LYS GLU LYS GLY GLY LEU LEU VAL GLY +SEQRES 14 A 233 LEU PRO ARG TYR MET GLU VAL GLU ILE LYS LYS ASP LYS +SEQRES 15 A 233 ILE ILE GLY LYS SER LEU ASP PRO ARG GLU GLY GLY LEU +SEQRES 16 A 233 TYR GLY GLU VAL LYS THR GLU VAL PRO GLN GLY ILE LYS +SEQRES 17 A 233 TRP GLU LEU TYR PRO ASN PRO LEU VAL ARG ARG PHE MET +SEQRES 18 A 233 VAL PHE GLU ILE THR SER LYS SER HIS HIS HIS HIS +SEQRES 1 B 7 DC DC DC DC DC DC DC +SEQRES 1 C 233 MET ARG ILE VAL ALA ALA ASP THR GLY GLY ALA VAL LEU +SEQRES 2 C 233 ASP GLU SER PHE GLN PRO VAL GLY LEU ILE ALA THR VAL +SEQRES 3 C 233 ALA VAL LEU VAL GLU LYS PRO TYR LYS THR SER LYS ARG +SEQRES 4 C 233 PHE LEU VAL LYS TYR ALA ASP PRO TYR ASN TYR ASP LEU +SEQRES 5 C 233 SER GLY ARG GLN ALA ILE ARG ASP GLU ILE GLU LEU ALA +SEQRES 6 C 233 ILE GLU LEU ALA ARG GLU VAL SER PRO ASP VAL ILE HIS +SEQRES 7 C 233 LEU ASN SER THR LEU GLY GLY ILE GLU VAL ARG LYS LEU +SEQRES 8 C 233 ASP GLU SER THR ILE ASP ALA LEU GLN ILE SER ASP ARG +SEQRES 9 C 233 GLY LYS GLU ILE TRP LYS GLU LEU SER LYS ASP LEU GLN +SEQRES 10 C 233 PRO LEU ALA LYS LYS PHE TRP GLU GLU THR GLY ILE GLU +SEQRES 11 C 233 ILE ILE ALA ILE GLY LYS SER SER VAL PRO VAL ARG ILE +SEQRES 12 C 233 ALA GLU ILE TYR ALA GLY ILE PHE SER VAL LYS TRP ALA +SEQRES 13 C 233 LEU ASP ASN VAL LYS GLU LYS GLY GLY LEU LEU VAL GLY +SEQRES 14 C 233 LEU PRO ARG TYR MET GLU VAL GLU ILE LYS LYS ASP LYS +SEQRES 15 C 233 ILE ILE GLY LYS SER LEU ASP PRO ARG GLU GLY GLY LEU +SEQRES 16 C 233 TYR GLY GLU VAL LYS THR GLU VAL PRO GLN GLY ILE LYS +SEQRES 17 C 233 TRP GLU LEU TYR PRO ASN PRO LEU VAL ARG ARG PHE MET +SEQRES 18 C 233 VAL PHE GLU ILE THR SER LYS SER HIS HIS HIS HIS +SEQRES 1 D 7 DC DC DC DC DC DC DC +SEQRES 1 E 233 MET ARG ILE VAL ALA ALA ASP THR GLY GLY ALA VAL LEU +SEQRES 2 E 233 ASP GLU SER PHE GLN PRO VAL GLY LEU ILE ALA THR VAL +SEQRES 3 E 233 ALA VAL LEU VAL GLU LYS PRO TYR LYS THR SER LYS ARG +SEQRES 4 E 233 PHE LEU VAL LYS TYR ALA ASP PRO TYR ASN TYR ASP LEU +SEQRES 5 E 233 SER GLY ARG GLN ALA ILE ARG ASP GLU ILE GLU LEU ALA +SEQRES 6 E 233 ILE GLU LEU ALA ARG GLU VAL SER PRO ASP VAL ILE HIS +SEQRES 7 E 233 LEU ASN SER THR LEU GLY GLY ILE GLU VAL ARG LYS LEU +SEQRES 8 E 233 ASP GLU SER THR ILE ASP ALA LEU GLN ILE SER ASP ARG +SEQRES 9 E 233 GLY LYS GLU ILE TRP LYS GLU LEU SER LYS ASP LEU GLN +SEQRES 10 E 233 PRO LEU ALA LYS LYS PHE TRP GLU GLU THR GLY ILE GLU +SEQRES 11 E 233 ILE ILE ALA ILE GLY LYS SER SER VAL PRO VAL ARG ILE +SEQRES 12 E 233 ALA GLU ILE TYR ALA GLY ILE PHE SER VAL LYS TRP ALA +SEQRES 13 E 233 LEU ASP ASN VAL LYS GLU LYS GLY GLY LEU LEU VAL GLY +SEQRES 14 E 233 LEU PRO ARG TYR MET GLU VAL GLU ILE LYS LYS ASP LYS +SEQRES 15 E 233 ILE ILE GLY LYS SER LEU ASP PRO ARG GLU GLY GLY LEU +SEQRES 16 E 233 TYR GLY GLU VAL LYS THR GLU VAL PRO GLN GLY ILE LYS +SEQRES 17 E 233 TRP GLU LEU TYR PRO ASN PRO LEU VAL ARG ARG PHE MET +SEQRES 18 E 233 VAL PHE GLU ILE THR SER LYS SER HIS HIS HIS HIS +SEQRES 1 F 7 DC DC DC DC DC DC DC +FORMUL 7 HOH *59(H2 O) +HELIX 1 AA1 ASP A 46 TYR A 50 5 5 +HELIX 2 AA2 ARG A 55 SER A 73 1 19 +HELIX 3 AA3 GLU A 87 LEU A 91 5 5 +HELIX 4 AA4 ASP A 92 ASP A 97 1 6 +HELIX 5 AA5 SER A 102 GLY A 128 1 27 +HELIX 6 AA6 ILE A 134 SER A 137 5 4 +HELIX 7 AA7 SER A 138 GLY A 164 1 27 +HELIX 8 AA8 ASP A 189 GLY A 193 5 5 +HELIX 9 AA9 ASP C 46 TYR C 50 5 5 +HELIX 10 AB1 ARG C 55 SER C 73 1 19 +HELIX 11 AB2 GLU C 87 LEU C 91 5 5 +HELIX 12 AB3 ASP C 92 ALA C 98 1 7 +HELIX 13 AB4 SER C 102 GLY C 128 1 27 +HELIX 14 AB5 ILE C 134 SER C 137 5 4 +HELIX 15 AB6 SER C 138 GLY C 164 1 27 +HELIX 16 AB7 ASP C 189 GLY C 193 5 5 +HELIX 17 AB8 ASP E 46 TYR E 50 5 5 +HELIX 18 AB9 ARG E 55 SER E 73 1 19 +HELIX 19 AC1 GLU E 87 LEU E 91 5 5 +HELIX 20 AC2 ASP E 92 ASP E 97 1 6 +HELIX 21 AC3 SER E 102 GLY E 128 1 27 +HELIX 22 AC4 ILE E 134 SER E 137 5 4 +HELIX 23 AC5 SER E 138 GLY E 164 1 27 +HELIX 24 AC6 ASP E 189 GLY E 193 5 5 +SHEET 1 AA1 5 ARG A 39 TYR A 44 0 +SHEET 2 AA1 5 PRO A 19 GLU A 31 -1 N THR A 25 O LYS A 43 +SHEET 3 AA1 5 ARG A 2 LEU A 13 -1 N ILE A 3 O VAL A 30 +SHEET 4 AA1 5 VAL A 76 LEU A 79 1 O HIS A 78 N VAL A 4 +SHEET 5 AA1 5 ILE A 131 ILE A 132 1 O ILE A 132 N LEU A 79 +SHEET 1 AA2 6 ARG A 39 TYR A 44 0 +SHEET 2 AA2 6 PRO A 19 GLU A 31 -1 N THR A 25 O LYS A 43 +SHEET 3 AA2 6 ARG A 2 LEU A 13 -1 N ILE A 3 O VAL A 30 +SHEET 4 AA2 6 LEU A 166 ARG A 172 -1 O GLY A 169 N ALA A 11 +SHEET 5 AA2 6 PHE A 220 THR A 226 -1 O PHE A 223 N VAL A 168 +SHEET 6 AA2 6 LYS A 208 PRO A 213 -1 N TYR A 212 O VAL A 222 +SHEET 1 AA3 3 MET A 174 ILE A 178 0 +SHEET 2 AA3 3 LYS A 182 SER A 187 -1 O ILE A 184 N GLU A 177 +SHEET 3 AA3 3 TYR A 196 LYS A 200 -1 O GLY A 197 N GLY A 185 +SHEET 1 AA4 5 ARG C 39 TYR C 44 0 +SHEET 2 AA4 5 PRO C 19 GLU C 31 -1 N THR C 25 O LYS C 43 +SHEET 3 AA4 5 ARG C 2 LEU C 13 -1 N VAL C 12 O VAL C 20 +SHEET 4 AA4 5 VAL C 76 LEU C 79 1 O HIS C 78 N VAL C 4 +SHEET 5 AA4 5 ILE C 131 ILE C 132 1 O ILE C 132 N LEU C 79 +SHEET 1 AA5 6 ARG C 39 TYR C 44 0 +SHEET 2 AA5 6 PRO C 19 GLU C 31 -1 N THR C 25 O LYS C 43 +SHEET 3 AA5 6 ARG C 2 LEU C 13 -1 N VAL C 12 O VAL C 20 +SHEET 4 AA5 6 LEU C 166 ARG C 172 -1 O GLY C 169 N ALA C 11 +SHEET 5 AA5 6 PHE C 220 THR C 226 -1 O PHE C 223 N VAL C 168 +SHEET 6 AA5 6 LYS C 208 PRO C 213 -1 N TYR C 212 O VAL C 222 +SHEET 1 AA6 3 MET C 174 ILE C 178 0 +SHEET 2 AA6 3 LYS C 182 SER C 187 -1 O ILE C 184 N GLU C 177 +SHEET 3 AA6 3 TYR C 196 LYS C 200 -1 O VAL C 199 N ILE C 183 +SHEET 1 AA7 5 ARG E 39 TYR E 44 0 +SHEET 2 AA7 5 PRO E 19 VAL E 30 -1 N LEU E 29 O ARG E 39 +SHEET 3 AA7 5 ILE E 3 LEU E 13 -1 N VAL E 12 O VAL E 20 +SHEET 4 AA7 5 VAL E 76 LEU E 79 1 O HIS E 78 N VAL E 4 +SHEET 5 AA7 5 GLU E 130 ILE E 132 1 O ILE E 132 N LEU E 79 +SHEET 1 AA8 6 ARG E 39 TYR E 44 0 +SHEET 2 AA8 6 PRO E 19 VAL E 30 -1 N LEU E 29 O ARG E 39 +SHEET 3 AA8 6 ILE E 3 LEU E 13 -1 N VAL E 12 O VAL E 20 +SHEET 4 AA8 6 LEU E 166 ARG E 172 -1 O GLY E 169 N ALA E 11 +SHEET 5 AA8 6 PHE E 220 THR E 226 -1 O PHE E 223 N VAL E 168 +SHEET 6 AA8 6 LYS E 208 PRO E 213 -1 N TYR E 212 O VAL E 222 +SHEET 1 AA9 3 MET E 174 ILE E 178 0 +SHEET 2 AA9 3 LYS E 182 SER E 187 -1 O ILE E 184 N GLU E 177 +SHEET 3 AA9 3 TYR E 196 LYS E 200 -1 O GLY E 197 N GLY E 185 +CISPEP 1 LYS A 32 PRO A 33 0 5.66 +CISPEP 2 LYS C 32 PRO C 33 0 5.65 +CISPEP 3 LYS E 32 PRO E 33 0 5.16 +CRYST1 81.569 100.265 113.181 90.00 90.00 90.00 P 21 21 21 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.012260 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.009974 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.008835 0.00000 +ATOM 1 N MET A 1 19.438 46.146 -8.578 1.00 60.59 N +ANISOU 1 N MET A 1 8610 7904 6508 -435 124 -229 N +ATOM 2 CA MET A 1 18.657 44.947 -8.861 1.00 58.11 C +ANISOU 2 CA MET A 1 8420 7605 6054 -557 146 -277 C +ATOM 3 C MET A 1 17.304 45.274 -9.475 1.00 56.67 C +ANISOU 3 C MET A 1 8187 7548 5797 -708 46 -173 C +ATOM 4 O MET A 1 16.693 46.294 -9.158 1.00 59.73 O +ANISOU 4 O MET A 1 8436 7970 6290 -674 -50 -61 O +ATOM 5 CB MET A 1 18.442 44.127 -7.588 1.00 60.74 C +ANISOU 5 CB MET A 1 8801 7837 6439 -467 172 -333 C +ATOM 6 CG MET A 1 19.463 43.033 -7.347 1.00 61.37 C +ANISOU 6 CG MET A 1 8999 7793 6525 -394 283 -443 C +ATOM 7 SD MET A 1 18.899 41.900 -6.062 1.00 72.37 S +ANISOU 7 SD MET A 1 10460 9087 7952 -345 305 -436 S +ATOM 8 CE MET A 1 20.445 41.160 -5.551 1.00 95.90 C +ANISOU 8 CE MET A 1 13501 11922 11016 -171 399 -505 C +ATOM 9 N ARG A 2 16.845 44.398 -10.360 1.00 52.97 N +ANISOU 9 N ARG A 2 7816 7147 5162 -873 67 -224 N +ATOM 10 CA ARG A 2 15.501 44.492 -10.907 1.00 54.30 C +ANISOU 10 CA ARG A 2 7937 7452 5242 -1028 -34 -145 C +ATOM 11 C ARG A 2 14.775 43.193 -10.592 1.00 55.22 C +ANISOU 11 C ARG A 2 8153 7516 5313 -1115 5 -260 C +ATOM 12 O ARG A 2 15.154 42.127 -11.078 1.00 57.67 O +ANISOU 12 O ARG A 2 8590 7785 5538 -1193 98 -407 O +ATOM 13 CB ARG A 2 15.535 44.751 -12.413 1.00 55.09 C +ANISOU 13 CB ARG A 2 8033 7741 5157 -1184 -64 -94 C +ATOM 14 CG ARG A 2 16.314 45.997 -12.804 1.00 51.04 C +ANISOU 14 CG ARG A 2 7422 7271 4699 -1116 -87 52 C +ATOM 15 CD ARG A 2 16.477 46.111 -14.312 1.00 48.80 C +ANISOU 15 CD ARG A 2 7149 7208 4186 -1281 -92 112 C +ATOM 16 NE ARG A 2 15.217 46.423 -14.978 1.00 50.26 N +ANISOU 16 NE ARG A 2 7252 7587 4258 -1424 -236 262 N +ATOM 17 CZ ARG A 2 14.473 45.534 -15.628 1.00 55.11 C +ANISOU 17 CZ ARG A 2 7927 8352 4661 -1601 -255 162 C +ATOM 18 NH1 ARG A 2 13.340 45.911 -16.204 1.00 64.01 N +ANISOU 18 NH1 ARG A 2 8953 9675 5693 -1722 -405 315 N +ATOM 19 NH2 ARG A 2 14.863 44.269 -15.706 1.00 49.91 N +ANISOU 19 NH2 ARG A 2 7416 7643 3906 -1658 -127 -99 N +ATOM 20 N ILE A 3 13.735 43.284 -9.772 1.00 48.65 N +ANISOU 20 N ILE A 3 7250 6674 4559 -1104 -57 -202 N +ATOM 21 CA ILE A 3 13.058 42.095 -9.274 1.00 50.66 C +ANISOU 21 CA ILE A 3 7583 6854 4812 -1176 -9 -283 C +ATOM 22 C ILE A 3 11.586 42.079 -9.660 1.00 51.07 C +ANISOU 22 C ILE A 3 7559 7040 4807 -1343 -105 -240 C +ATOM 23 O ILE A 3 10.884 43.081 -9.520 1.00 46.91 O +ANISOU 23 O ILE A 3 6881 6612 4331 -1319 -213 -116 O +ATOM 24 CB ILE A 3 13.171 41.990 -7.735 1.00 48.18 C +ANISOU 24 CB ILE A 3 7255 6416 4634 -1015 32 -261 C +ATOM 25 CG1 ILE A 3 14.635 42.034 -7.297 1.00 43.68 C +ANISOU 25 CG1 ILE A 3 6737 5736 4124 -840 108 -299 C +ATOM 26 CG2 ILE A 3 12.496 40.724 -7.225 1.00 44.86 C +ANISOU 26 CG2 ILE A 3 6914 5909 4221 -1100 93 -304 C +ATOM 27 CD1 ILE A 3 14.843 42.680 -5.947 1.00 38.20 C +ANISOU 27 CD1 ILE A 3 5948 5028 3538 -660 91 -247 C +ATOM 28 N VAL A 4 11.124 40.935 -10.150 1.00 53.02 N +ANISOU 28 N VAL A 4 7896 7279 4970 -1513 -64 -356 N +ATOM 29 CA VAL A 4 9.700 40.715 -10.332 1.00 52.95 C +ANISOU 29 CA VAL A 4 7813 7379 4928 -1677 -143 -341 C +ATOM 30 C VAL A 4 9.178 39.860 -9.185 1.00 54.57 C +ANISOU 30 C VAL A 4 8049 7435 5252 -1671 -69 -364 C +ATOM 31 O VAL A 4 9.736 38.809 -8.878 1.00 55.74 O +ANISOU 31 O VAL A 4 8330 7402 5445 -1663 51 -457 O +ATOM 32 CB VAL A 4 9.391 40.041 -11.685 1.00 48.13 C +ANISOU 32 CB VAL A 4 7253 6893 4143 -1904 -157 -471 C +ATOM 33 CG1 VAL A 4 8.061 39.302 -11.633 1.00 48.36 C +ANISOU 33 CG1 VAL A 4 7243 6953 4177 -2084 -188 -526 C +ATOM 34 CG2 VAL A 4 9.388 41.078 -12.800 1.00 40.12 C +ANISOU 34 CG2 VAL A 4 6144 6123 2977 -1949 -280 -368 C +ATOM 35 N ALA A 5 8.110 40.322 -8.545 1.00 52.24 N +ANISOU 35 N ALA A 5 7617 7215 5018 -1671 -137 -267 N +ATOM 36 CA ALA A 5 7.510 39.587 -7.442 1.00 47.42 C +ANISOU 36 CA ALA A 5 7012 6507 4500 -1683 -65 -259 C +ATOM 37 C ALA A 5 6.003 39.521 -7.618 1.00 48.61 C +ANISOU 37 C ALA A 5 7036 6788 4646 -1854 -139 -244 C +ATOM 38 O ALA A 5 5.407 40.386 -8.257 1.00 46.26 O +ANISOU 38 O ALA A 5 6602 6666 4308 -1893 -270 -193 O +ATOM 39 CB ALA A 5 7.865 40.228 -6.116 1.00 41.78 C +ANISOU 39 CB ALA A 5 6238 5762 3876 -1473 -39 -168 C +ATOM 40 N ALA A 6 5.390 38.491 -7.046 1.00 50.15 N +ANISOU 40 N ALA A 6 7265 6892 4898 -1957 -57 -272 N +ATOM 41 CA ALA A 6 3.952 38.304 -7.169 1.00 50.47 C +ANISOU 41 CA ALA A 6 7179 7047 4949 -2137 -112 -273 C +ATOM 42 C ALA A 6 3.326 37.875 -5.851 1.00 53.65 C +ANISOU 42 C ALA A 6 7535 7393 5456 -2129 -22 -203 C +ATOM 43 O ALA A 6 3.909 37.094 -5.100 1.00 57.55 O +ANISOU 43 O ALA A 6 8154 7712 6001 -2078 105 -182 O +ATOM 44 CB ALA A 6 3.646 37.284 -8.253 1.00 48.66 C +ANISOU 44 CB ALA A 6 7025 6801 4662 -2374 -108 -425 C +ATOM 45 N ASP A 7 2.137 38.399 -5.570 1.00 53.53 N +ANISOU 45 N ASP A 7 7329 7539 5472 -2178 -87 -153 N +ATOM 46 CA ASP A 7 1.380 37.981 -4.398 1.00 58.41 C +ANISOU 46 CA ASP A 7 7876 8151 6166 -2209 6 -92 C +ATOM 47 C ASP A 7 -0.122 38.025 -4.664 1.00 58.59 C +ANISOU 47 C ASP A 7 7710 8331 6222 -2389 -62 -107 C +ATOM 48 O ASP A 7 -0.598 38.817 -5.478 1.00 54.17 O +ANISOU 48 O ASP A 7 7018 7928 5638 -2412 -209 -121 O +ATOM 49 CB ASP A 7 1.721 38.856 -3.191 1.00 63.67 C +ANISOU 49 CB ASP A 7 8464 8876 6852 -1985 37 -7 C +ATOM 50 CG ASP A 7 1.054 38.373 -1.917 1.00 73.50 C +ANISOU 50 CG ASP A 7 9645 10151 8132 -2017 155 64 C +ATOM 51 OD1 ASP A 7 0.923 37.143 -1.745 1.00 76.60 O +ANISOU 51 OD1 ASP A 7 10146 10412 8546 -2152 258 91 O +ATOM 52 OD2 ASP A 7 0.652 39.219 -1.092 1.00 75.80 O +ANISOU 52 OD2 ASP A 7 9767 10597 8436 -1912 153 89 O +ATOM 53 N THR A 8 -0.860 37.162 -3.973 1.00 60.63 N +ANISOU 53 N THR A 8 7946 8548 6543 -2518 44 -85 N +ATOM 54 CA THR A 8 -2.316 37.209 -3.979 1.00 57.56 C +ANISOU 54 CA THR A 8 7349 8316 6207 -2678 2 -93 C +ATOM 55 C THR A 8 -2.805 37.763 -2.646 1.00 56.39 C +ANISOU 55 C THR A 8 7041 8282 6102 -2567 72 -2 C +ATOM 56 O THR A 8 -2.351 37.332 -1.586 1.00 59.10 O +ANISOU 56 O THR A 8 7471 8547 6439 -2497 213 74 O +ATOM 57 CB THR A 8 -2.927 35.816 -4.222 1.00 58.53 C +ANISOU 57 CB THR A 8 7527 8326 6387 -2944 81 -153 C +ATOM 58 OG1 THR A 8 -2.443 35.289 -5.464 1.00 59.59 O +ANISOU 58 OG1 THR A 8 7800 8368 6474 -3052 28 -287 O +ATOM 59 CG2 THR A 8 -4.446 35.895 -4.264 1.00 63.48 C +ANISOU 59 CG2 THR A 8 7915 9132 7072 -3118 31 -170 C +ATOM 60 N GLY A 9 -3.725 38.721 -2.697 1.00 53.19 N +ANISOU 60 N GLY A 9 6390 8076 5742 -2549 -27 -11 N +ATOM 61 CA GLY A 9 -4.223 39.350 -1.487 1.00 54.99 C +ANISOU 61 CA GLY A 9 6435 8440 6018 -2441 42 27 C +ATOM 62 C GLY A 9 -5.559 40.044 -1.661 1.00 57.40 C +ANISOU 62 C GLY A 9 6444 8943 6422 -2497 -51 -5 C +ATOM 63 O GLY A 9 -6.034 40.232 -2.781 1.00 60.79 O +ANISOU 63 O GLY A 9 6798 9423 6875 -2590 -204 -33 O +ATOM 64 N GLY A 10 -6.166 40.426 -0.542 1.00 53.79 N +ANISOU 64 N GLY A 10 5801 8619 6016 -2440 42 -3 N +ATOM 65 CA GLY A 10 -7.476 41.050 -0.555 1.00 57.04 C +ANISOU 65 CA GLY A 10 5902 9218 6554 -2483 -20 -45 C +ATOM 66 C GLY A 10 -8.576 40.008 -0.553 1.00 57.79 C +ANISOU 66 C GLY A 10 5929 9360 6670 -2749 48 -42 C +ATOM 67 O GLY A 10 -8.554 39.075 -1.354 1.00 60.69 O +ANISOU 67 O GLY A 10 6439 9618 7001 -2933 18 -43 O +ATOM 68 N ALA A 11 -9.542 40.162 0.346 1.00 53.48 N +ANISOU 68 N ALA A 11 5151 8979 6191 -2779 148 -59 N +ATOM 69 CA ALA A 11 -10.603 39.172 0.479 1.00 60.10 C +ANISOU 69 CA ALA A 11 5905 9867 7064 -3041 239 -48 C +ATOM 70 C ALA A 11 -11.974 39.801 0.702 1.00 65.35 C +ANISOU 70 C ALA A 11 6201 10762 7868 -3075 216 -111 C +ATOM 71 O ALA A 11 -12.109 40.781 1.433 1.00 71.53 O +ANISOU 71 O ALA A 11 6797 11679 8702 -2894 249 -158 O +ATOM 72 CB ALA A 11 -10.279 38.214 1.616 1.00 61.23 C +ANISOU 72 CB ALA A 11 6196 9953 7117 -3101 471 45 C +ATOM 73 N VAL A 12 -12.988 39.228 0.062 1.00 63.79 N +ANISOU 73 N VAL A 12 5883 10610 7745 -3310 161 -135 N +ATOM 74 CA VAL A 12 -14.371 39.585 0.347 1.00 63.21 C +ANISOU 74 CA VAL A 12 5449 10755 7813 -3383 169 -190 C +ATOM 75 C VAL A 12 -14.789 38.981 1.682 1.00 59.88 C +ANISOU 75 C VAL A 12 4973 10416 7363 -3477 433 -158 C +ATOM 76 O VAL A 12 -14.644 37.779 1.900 1.00 68.12 O +ANISOU 76 O VAL A 12 6200 11341 8341 -3665 566 -78 O +ATOM 77 CB VAL A 12 -15.324 39.107 -0.767 1.00 60.37 C +ANISOU 77 CB VAL A 12 4964 10438 7534 -3624 21 -230 C +ATOM 78 CG1 VAL A 12 -16.773 39.157 -0.298 1.00 64.09 C +ANISOU 78 CG1 VAL A 12 5101 11099 8152 -3719 81 -277 C +ATOM 79 CG2 VAL A 12 -15.132 39.945 -2.021 1.00 59.55 C +ANISOU 79 CG2 VAL A 12 4824 10353 7451 -3516 -256 -242 C +ATOM 80 N LEU A 13 -15.300 39.822 2.576 1.00 60.57 N +ANISOU 80 N LEU A 13 4798 10707 7508 -3349 515 -218 N +ATOM 81 CA LEU A 13 -15.731 39.371 3.893 1.00 62.25 C +ANISOU 81 CA LEU A 13 4924 11066 7661 -3431 774 -189 C +ATOM 82 C LEU A 13 -17.248 39.406 4.033 1.00 75.61 C +ANISOU 82 C LEU A 13 6267 12953 9507 -3568 813 -261 C +ATOM 83 O LEU A 13 -17.913 40.260 3.446 1.00 71.18 O +ANISOU 83 O LEU A 13 5483 12446 9118 -3460 643 -361 O +ATOM 84 CB LEU A 13 -15.105 40.239 4.987 1.00 66.86 C +ANISOU 84 CB LEU A 13 5483 11767 8153 -3175 880 -237 C +ATOM 85 CG LEU A 13 -13.598 40.502 4.937 1.00 58.40 C +ANISOU 85 CG LEU A 13 4712 10525 6952 -2969 825 -198 C +ATOM 86 CD1 LEU A 13 -13.196 41.448 6.059 1.00 58.03 C +ANISOU 86 CD1 LEU A 13 4560 10647 6840 -2738 927 -299 C +ATOM 87 CD2 LEU A 13 -12.807 39.210 5.014 1.00 57.93 C +ANISOU 87 CD2 LEU A 13 4999 10277 6733 -3096 915 -26 C +ATOM 88 N ASP A 14 -17.795 38.475 4.809 1.00 76.64 N +ANISOU 88 N ASP A 14 6411 13118 9592 -3730 1018 -186 N +ATOM 89 CA ASP A 14 -19.194 38.562 5.205 1.00 78.69 C +ANISOU 89 CA ASP A 14 6387 13529 9983 -3771 1084 -253 C +ATOM 90 C ASP A 14 -19.312 39.495 6.409 1.00 83.49 C +ANISOU 90 C ASP A 14 6802 14370 10550 -3571 1226 -346 C +ATOM 91 O ASP A 14 -18.317 40.068 6.850 1.00 83.64 O +ANISOU 91 O ASP A 14 6904 14428 10447 -3404 1254 -369 O +ATOM 92 CB ASP A 14 -19.779 37.174 5.503 1.00 82.79 C +ANISOU 92 CB ASP A 14 6986 13978 10493 -4034 1242 -130 C +ATOM 93 CG ASP A 14 -18.981 36.397 6.540 1.00 89.37 C +ANISOU 93 CG ASP A 14 8052 14779 11126 -4081 1467 45 C +ATOM 94 OD1 ASP A 14 -18.374 37.010 7.442 1.00 90.51 O +ANISOU 94 OD1 ASP A 14 8199 15076 11115 -3909 1564 43 O +ATOM 95 OD2 ASP A 14 -18.972 35.151 6.453 1.00 94.31 O +ANISOU 95 OD2 ASP A 14 8855 15218 11762 -4284 1542 189 O +ATOM 96 N GLU A 15 -20.520 39.646 6.941 1.00 88.27 N +ANISOU 96 N GLU A 15 7146 15132 11259 -3588 1318 -420 N +ATOM 97 CA GLU A 15 -20.755 40.618 8.005 1.00 90.64 C +ANISOU 97 CA GLU A 15 7236 15654 11549 -3390 1440 -562 C +ATOM 98 C GLU A 15 -20.208 40.166 9.360 1.00 88.84 C +ANISOU 98 C GLU A 15 7143 15567 11045 -3404 1693 -482 C +ATOM 99 O GLU A 15 -20.229 40.926 10.328 1.00 92.28 O +ANISOU 99 O GLU A 15 7446 16202 11414 -3240 1803 -617 O +ATOM 100 CB GLU A 15 -22.250 40.919 8.118 1.00102.38 C +ANISOU 100 CB GLU A 15 8396 17260 13242 -3405 1458 -672 C +ATOM 101 CG GLU A 15 -22.882 41.351 6.804 1.00108.56 C +ANISOU 101 CG GLU A 15 9030 17924 14294 -3382 1195 -720 C +ATOM 102 CD GLU A 15 -24.318 41.807 6.966 1.00115.52 C +ANISOU 102 CD GLU A 15 9562 18927 15402 -3355 1206 -832 C +ATOM 103 OE1 GLU A 15 -24.738 42.056 8.115 1.00119.24 O +ANISOU 103 OE1 GLU A 15 9890 19581 15833 -3304 1412 -919 O +ATOM 104 OE2 GLU A 15 -25.025 41.920 5.942 1.00117.19 O +ANISOU 104 OE2 GLU A 15 9641 19062 15823 -3384 1006 -832 O +ATOM 105 N SER A 16 -19.717 38.932 9.425 1.00 85.36 N +ANISOU 105 N SER A 16 6970 15010 10453 -3593 1775 -261 N +ATOM 106 CA SER A 16 -19.011 38.455 10.608 1.00 83.26 C +ANISOU 106 CA SER A 16 6879 14844 9912 -3587 1976 -121 C +ATOM 107 C SER A 16 -17.506 38.492 10.358 1.00 81.74 C +ANISOU 107 C SER A 16 6961 14520 9577 -3490 1903 -47 C +ATOM 108 O SER A 16 -16.730 37.869 11.084 1.00 71.91 O +ANISOU 108 O SER A 16 5935 13277 8112 -3501 2025 133 O +ATOM 109 CB SER A 16 -19.462 37.042 10.985 1.00 82.78 C +ANISOU 109 CB SER A 16 6930 14717 9805 -3835 2132 116 C +ATOM 110 OG SER A 16 -19.201 36.124 9.939 1.00 84.09 O +ANISOU 110 OG SER A 16 7298 14575 10079 -4004 2026 245 O +ATOM 111 N PHE A 17 -17.118 39.216 9.309 1.00 69.42 N +ANISOU 111 N PHE A 17 5384 12840 8154 -3391 1695 -168 N +ATOM 112 CA PHE A 17 -15.716 39.420 8.935 1.00 72.42 C +ANISOU 112 CA PHE A 17 5986 13097 8433 -3286 1605 -131 C +ATOM 113 C PHE A 17 -14.990 38.132 8.552 1.00 71.90 C +ANISOU 113 C PHE A 17 6270 12769 8279 -3448 1612 110 C +ATOM 114 O PHE A 17 -13.761 38.098 8.512 1.00 70.09 O +ANISOU 114 O PHE A 17 6317 12381 7934 -3305 1559 179 O +ATOM 115 CB PHE A 17 -14.960 40.125 10.065 1.00 65.79 C +ANISOU 115 CB PHE A 17 5143 12460 7395 -3069 1715 -205 C +ATOM 116 CG PHE A 17 -15.476 41.500 10.367 1.00 66.35 C +ANISOU 116 CG PHE A 17 4905 12708 7596 -2860 1683 -488 C +ATOM 117 CD1 PHE A 17 -15.200 42.557 9.516 1.00 64.41 C +ANISOU 117 CD1 PHE A 17 4558 12360 7554 -2695 1487 -647 C +ATOM 118 CD2 PHE A 17 -16.247 41.735 11.492 1.00 73.18 C +ANISOU 118 CD2 PHE A 17 5587 13815 8402 -2823 1844 -591 C +ATOM 119 CE1 PHE A 17 -15.674 43.825 9.786 1.00 65.23 C +ANISOU 119 CE1 PHE A 17 4391 12556 7836 -2482 1452 -898 C +ATOM 120 CE2 PHE A 17 -16.728 43.001 11.766 1.00 75.50 C +ANISOU 120 CE2 PHE A 17 5609 14228 8851 -2624 1818 -871 C +ATOM 121 CZ PHE A 17 -16.439 44.047 10.912 1.00 72.95 C +ANISOU 121 CZ PHE A 17 5194 13756 8767 -2447 1623 -1023 C +ATOM 122 N GLN A 18 -15.746 37.078 8.270 1.00 74.35 N +ANISOU 122 N GLN A 18 6603 12967 8680 -3690 1654 221 N +ATOM 123 CA GLN A 18 -15.149 35.847 7.770 1.00 74.36 C +ANISOU 123 CA GLN A 18 6909 12668 8675 -3854 1651 412 C +ATOM 124 C GLN A 18 -14.906 35.944 6.267 1.00 72.52 C +ANISOU 124 C GLN A 18 6770 12198 8586 -3867 1409 312 C +ATOM 125 O GLN A 18 -15.812 36.292 5.508 1.00 72.67 O +ANISOU 125 O GLN A 18 6574 12272 8767 -3943 1286 176 O +ATOM 126 CB GLN A 18 -16.036 34.645 8.094 1.00 81.16 C +ANISOU 126 CB GLN A 18 7773 13451 9615 -4074 1787 555 C +ATOM 127 CG GLN A 18 -16.069 34.299 9.573 1.00 90.11 C +ANISOU 127 CG GLN A 18 8910 14752 10576 -4044 2013 725 C +ATOM 128 CD GLN A 18 -14.696 33.960 10.120 1.00 94.85 C +ANISOU 128 CD GLN A 18 9795 15268 10976 -3936 2068 918 C +ATOM 129 OE1 GLN A 18 -13.903 33.284 9.464 1.00 97.82 O +ANISOU 129 OE1 GLN A 18 10424 15341 11402 -3987 2004 1024 O +ATOM 130 NE2 GLN A 18 -14.406 34.437 11.325 1.00 95.19 N +ANISOU 130 NE2 GLN A 18 9794 15581 10794 -3774 2177 948 N +ATOM 131 N PRO A 19 -13.674 35.637 5.835 1.00 70.43 N +ANISOU 131 N PRO A 19 6830 11675 8257 -3773 1331 380 N +ATOM 132 CA PRO A 19 -13.276 35.695 4.423 1.00 68.42 C +ANISOU 132 CA PRO A 19 6708 11196 8092 -3759 1107 287 C +ATOM 133 C PRO A 19 -14.029 34.694 3.551 1.00 70.21 C +ANISOU 133 C PRO A 19 6925 11282 8469 -4060 1074 273 C +ATOM 134 O PRO A 19 -14.193 33.538 3.938 1.00 67.52 O +ANISOU 134 O PRO A 19 6670 10824 8162 -4266 1234 404 O +ATOM 135 CB PRO A 19 -11.779 35.364 4.462 1.00 59.39 C +ANISOU 135 CB PRO A 19 5910 9826 6830 -3618 1107 389 C +ATOM 136 CG PRO A 19 -11.570 34.655 5.754 1.00 67.31 C +ANISOU 136 CG PRO A 19 6986 10867 7720 -3658 1337 590 C +ATOM 137 CD PRO A 19 -12.557 35.244 6.710 1.00 68.90 C +ANISOU 137 CD PRO A 19 6878 11418 7882 -3665 1456 553 C +ATOM 138 N VAL A 20 -14.482 35.147 2.386 1.00 75.44 N +ANISOU 138 N VAL A 20 7473 11963 9228 -4088 864 120 N +ATOM 139 CA VAL A 20 -15.221 34.295 1.461 1.00 80.28 C +ANISOU 139 CA VAL A 20 8047 12484 9970 -4374 802 56 C +ATOM 140 C VAL A 20 -14.317 33.813 0.330 1.00 76.22 C +ANISOU 140 C VAL A 20 7813 11715 9434 -4397 671 5 C +ATOM 141 O VAL A 20 -14.298 32.628 -0.005 1.00 73.99 O +ANISOU 141 O VAL A 20 7675 11212 9225 -4600 729 5 O +ATOM 142 CB VAL A 20 -16.434 35.031 0.861 1.00 66.17 C +ANISOU 142 CB VAL A 20 5953 10895 8294 -4354 635 -82 C +ATOM 143 CG1 VAL A 20 -17.145 34.150 -0.154 1.00 68.32 C +ANISOU 143 CG1 VAL A 20 6233 11047 8678 -4559 540 -168 C +ATOM 144 CG2 VAL A 20 -17.387 35.467 1.963 1.00 67.79 C +ANISOU 144 CG2 VAL A 20 5885 11325 8547 -4302 773 -65 C +ATOM 145 N GLY A 21 -13.564 34.742 -0.249 1.00 61.24 N +ANISOU 145 N GLY A 21 5987 9833 7449 -4166 500 -48 N +ATOM 146 CA GLY A 21 -12.626 34.418 -1.306 1.00 61.15 C +ANISOU 146 CA GLY A 21 6230 9621 7383 -4160 383 -105 C +ATOM 147 C GLY A 21 -11.622 35.528 -1.542 1.00 58.50 C +ANISOU 147 C GLY A 21 5984 9309 6935 -3860 258 -102 C +ATOM 148 O GLY A 21 -11.874 36.685 -1.206 1.00 56.35 O +ANISOU 148 O GLY A 21 5521 9223 6666 -3679 199 -97 O +ATOM 149 N LEU A 22 -10.482 35.177 -2.126 1.00 59.10 N +ANISOU 149 N LEU A 22 6336 9184 6936 -3812 225 -116 N +ATOM 150 CA LEU A 22 -9.450 36.159 -2.435 1.00 59.68 C +ANISOU 150 CA LEU A 22 6507 9260 6910 -3549 112 -110 C +ATOM 151 C LEU A 22 -9.795 36.913 -3.715 1.00 61.32 C +ANISOU 151 C LEU A 22 6586 9613 7101 -3555 -128 -194 C +ATOM 152 O LEU A 22 -10.563 36.425 -4.544 1.00 70.21 O +ANISOU 152 O LEU A 22 7626 10799 8253 -3779 -214 -281 O +ATOM 153 CB LEU A 22 -8.086 35.481 -2.561 1.00 65.47 C +ANISOU 153 CB LEU A 22 7568 9735 7573 -3496 179 -92 C +ATOM 154 CG LEU A 22 -7.594 34.793 -1.285 1.00 70.54 C +ANISOU 154 CG LEU A 22 8344 10237 8222 -3455 396 41 C +ATOM 155 CD1 LEU A 22 -6.219 34.177 -1.492 1.00 71.16 C +ANISOU 155 CD1 LEU A 22 8724 10053 8261 -3381 439 59 C +ATOM 156 CD2 LEU A 22 -7.582 35.769 -0.118 1.00 71.33 C +ANISOU 156 CD2 LEU A 22 8315 10518 8271 -3241 449 125 C +ATOM 157 N ILE A 23 -9.223 38.101 -3.876 1.00 55.04 N +ANISOU 157 N ILE A 23 5767 8880 6265 -3314 -240 -159 N +ATOM 158 CA ILE A 23 -9.617 38.988 -4.964 1.00 56.83 C +ANISOU 158 CA ILE A 23 5829 9271 6491 -3290 -474 -174 C +ATOM 159 C ILE A 23 -8.549 39.154 -6.041 1.00 59.62 C +ANISOU 159 C ILE A 23 6382 9559 6711 -3232 -592 -180 C +ATOM 160 O ILE A 23 -8.740 38.734 -7.182 1.00 64.92 O +ANISOU 160 O ILE A 23 7076 10291 7300 -3405 -709 -248 O +ATOM 161 CB ILE A 23 -9.981 40.385 -4.430 1.00 58.32 C +ANISOU 161 CB ILE A 23 5767 9599 6793 -3067 -534 -114 C +ATOM 162 CG1 ILE A 23 -11.081 40.282 -3.372 1.00 60.46 C +ANISOU 162 CG1 ILE A 23 5809 9976 7187 -3125 -406 -132 C +ATOM 163 CG2 ILE A 23 -10.418 41.291 -5.567 1.00 51.83 C +ANISOU 163 CG2 ILE A 23 4759 8931 6003 -3039 -786 -80 C +ATOM 164 CD1 ILE A 23 -11.364 41.585 -2.660 1.00 52.27 C +ANISOU 164 CD1 ILE A 23 4526 9052 6284 -2895 -417 -120 C +ATOM 165 N ALA A 24 -7.428 39.768 -5.680 1.00 60.20 N +ANISOU 165 N ALA A 24 6588 9532 6753 -2998 -557 -121 N +ATOM 166 CA ALA A 24 -6.443 40.171 -6.676 1.00 59.33 C +ANISOU 166 CA ALA A 24 6620 9393 6530 -2917 -674 -106 C +ATOM 167 C ALA A 24 -5.128 39.407 -6.579 1.00 55.24 C +ANISOU 167 C ALA A 24 6415 8656 5916 -2889 -541 -146 C +ATOM 168 O ALA A 24 -4.572 39.228 -5.495 1.00 53.59 O +ANISOU 168 O ALA A 24 6305 8315 5743 -2772 -386 -116 O +ATOM 169 CB ALA A 24 -6.179 41.666 -6.564 1.00 58.15 C +ANISOU 169 CB ALA A 24 6335 9306 6455 -2665 -775 -2 C +ATOM 170 N THR A 25 -4.642 38.959 -7.732 1.00 59.34 N +ANISOU 170 N THR A 25 7076 9160 6309 -2997 -607 -217 N +ATOM 171 CA THR A 25 -3.284 38.452 -7.855 1.00 57.07 C +ANISOU 171 CA THR A 25 7061 8681 5941 -2937 -510 -262 C +ATOM 172 C THR A 25 -2.484 39.459 -8.670 1.00 56.01 C +ANISOU 172 C THR A 25 6948 8626 5708 -2796 -638 -206 C +ATOM 173 O THR A 25 -2.867 39.805 -9.788 1.00 51.12 O +ANISOU 173 O THR A 25 6237 8193 4992 -2890 -800 -204 O +ATOM 174 CB THR A 25 -3.240 37.069 -8.532 1.00 57.93 C +ANISOU 174 CB THR A 25 7322 8690 5999 -3176 -450 -427 C +ATOM 175 OG1 THR A 25 -3.855 36.096 -7.678 1.00 62.26 O +ANISOU 175 OG1 THR A 25 7866 9111 6678 -3300 -307 -448 O +ATOM 176 CG2 THR A 25 -1.803 36.655 -8.811 1.00 56.75 C +ANISOU 176 CG2 THR A 25 7426 8355 5780 -3097 -366 -488 C +ATOM 177 N VAL A 26 -1.377 39.932 -8.108 1.00 58.76 N +ANISOU 177 N VAL A 26 7404 8848 6074 -2578 -568 -149 N +ATOM 178 CA VAL A 26 -0.605 40.999 -8.735 1.00 56.74 C +ANISOU 178 CA VAL A 26 7146 8649 5763 -2430 -673 -70 C +ATOM 179 C VAL A 26 0.872 40.641 -8.850 1.00 59.18 C +ANISOU 179 C VAL A 26 7696 8794 5996 -2347 -573 -121 C +ATOM 180 O VAL A 26 1.483 40.180 -7.889 1.00 59.25 O +ANISOU 180 O VAL A 26 7823 8626 6064 -2254 -427 -142 O +ATOM 181 CB VAL A 26 -0.745 42.323 -7.945 1.00 54.56 C +ANISOU 181 CB VAL A 26 6689 8403 5640 -2212 -715 53 C +ATOM 182 CG1 VAL A 26 0.149 43.406 -8.533 1.00 54.45 C +ANISOU 182 CG1 VAL A 26 6678 8399 5613 -2059 -805 147 C +ATOM 183 CG2 VAL A 26 -2.198 42.779 -7.918 1.00 55.66 C +ANISOU 183 CG2 VAL A 26 6558 8710 5882 -2276 -825 100 C +ATOM 184 N ALA A 27 1.440 40.859 -10.032 1.00 61.83 N +ANISOU 184 N ALA A 27 8090 9209 6192 -2382 -652 -130 N +ATOM 185 CA ALA A 27 2.879 40.737 -10.226 1.00 56.69 C +ANISOU 185 CA ALA A 27 7631 8432 5477 -2284 -567 -171 C +ATOM 186 C ALA A 27 3.471 42.119 -10.452 1.00 53.42 C +ANISOU 186 C ALA A 27 7139 8082 5075 -2109 -657 -23 C +ATOM 187 O ALA A 27 2.960 42.889 -11.262 1.00 51.92 O +ANISOU 187 O ALA A 27 6809 8080 4840 -2151 -811 85 O +ATOM 188 CB ALA A 27 3.191 39.821 -11.396 1.00 57.48 C +ANISOU 188 CB ALA A 27 7864 8570 5405 -2472 -551 -329 C +ATOM 189 N VAL A 28 4.547 42.435 -9.737 1.00 50.95 N +ANISOU 189 N VAL A 28 6906 7613 4839 -1916 -565 -8 N +ATOM 190 CA VAL A 28 5.160 43.754 -9.846 1.00 49.51 C +ANISOU 190 CA VAL A 28 6642 7452 4718 -1749 -633 121 C +ATOM 191 C VAL A 28 6.629 43.683 -10.244 1.00 55.06 C +ANISOU 191 C VAL A 28 7507 8071 5343 -1681 -557 82 C +ATOM 192 O VAL A 28 7.327 42.725 -9.922 1.00 55.04 O +ANISOU 192 O VAL A 28 7673 7931 5310 -1677 -425 -45 O +ATOM 193 CB VAL A 28 5.051 44.539 -8.521 1.00 42.40 C +ANISOU 193 CB VAL A 28 5617 6469 4025 -1557 -611 167 C +ATOM 194 CG1 VAL A 28 3.595 44.822 -8.186 1.00 48.56 C +ANISOU 194 CG1 VAL A 28 6193 7354 4904 -1607 -689 210 C +ATOM 195 CG2 VAL A 28 5.727 43.779 -7.390 1.00 38.87 C +ANISOU 195 CG2 VAL A 28 5309 5862 3599 -1472 -450 66 C +ATOM 196 N LEU A 29 7.086 44.707 -10.958 1.00 55.26 N +ANISOU 196 N LEU A 29 7469 8175 5354 -1629 -640 205 N +ATOM 197 CA LEU A 29 8.509 44.907 -11.193 1.00 47.27 C +ANISOU 197 CA LEU A 29 6565 7084 4311 -1535 -566 192 C +ATOM 198 C LEU A 29 9.027 45.957 -10.221 1.00 48.02 C +ANISOU 198 C LEU A 29 6567 7054 4624 -1315 -556 261 C +ATOM 199 O LEU A 29 8.505 47.070 -10.166 1.00 49.54 O +ANISOU 199 O LEU A 29 6578 7287 4959 -1255 -662 399 O +ATOM 200 CB LEU A 29 8.772 45.333 -12.638 1.00 42.67 C +ANISOU 200 CB LEU A 29 5971 6683 3560 -1637 -645 289 C +ATOM 201 CG LEU A 29 10.150 45.926 -12.940 1.00 43.58 C +ANISOU 201 CG LEU A 29 6133 6748 3677 -1533 -590 336 C +ATOM 202 CD1 LEU A 29 11.235 44.873 -12.783 1.00 44.47 C +ANISOU 202 CD1 LEU A 29 6442 6736 3718 -1519 -421 128 C +ATOM 203 CD2 LEU A 29 10.180 46.530 -14.337 1.00 42.16 C +ANISOU 203 CD2 LEU A 29 5895 6794 3329 -1644 -688 500 C +ATOM 204 N VAL A 30 10.055 45.604 -9.457 1.00 42.83 N +ANISOU 204 N VAL A 30 6021 6245 4009 -1195 -431 158 N +ATOM 205 CA VAL A 30 10.596 46.515 -8.456 1.00 40.05 C +ANISOU 205 CA VAL A 30 5577 5790 3849 -996 -416 176 C +ATOM 206 C VAL A 30 12.072 46.827 -8.689 1.00 53.63 C +ANISOU 206 C VAL A 30 7365 7434 5577 -901 -355 160 C +ATOM 207 O VAL A 30 12.900 45.925 -8.831 1.00 52.90 O +ANISOU 207 O VAL A 30 7435 7289 5377 -916 -255 59 O +ATOM 208 CB VAL A 30 10.426 45.945 -7.035 1.00 38.82 C +ANISOU 208 CB VAL A 30 5442 5556 3751 -915 -334 74 C +ATOM 209 CG1 VAL A 30 11.070 46.867 -6.010 1.00 37.74 C +ANISOU 209 CG1 VAL A 30 5205 5353 3781 -717 -317 50 C +ATOM 210 CG2 VAL A 30 8.950 45.742 -6.721 1.00 41.73 C +ANISOU 210 CG2 VAL A 30 5713 6007 4135 -1006 -381 92 C +ATOM 211 N GLU A 31 12.386 48.117 -8.732 1.00 55.29 N +ANISOU 211 N GLU A 31 7437 7627 5945 -806 -413 259 N +ATOM 212 CA GLU A 31 13.756 48.580 -8.910 1.00 44.95 C +ANISOU 212 CA GLU A 31 6153 6244 4681 -717 -358 255 C +ATOM 213 C GLU A 31 14.123 49.545 -7.789 1.00 45.94 C +ANISOU 213 C GLU A 31 6141 6260 5054 -537 -358 218 C +ATOM 214 O GLU A 31 13.263 49.948 -7.007 1.00 48.71 O +ANISOU 214 O GLU A 31 6364 6610 5535 -488 -404 203 O +ATOM 215 CB GLU A 31 13.932 49.262 -10.269 1.00 45.29 C +ANISOU 215 CB GLU A 31 6154 6377 4676 -807 -421 426 C +ATOM 216 CG GLU A 31 13.553 48.402 -11.463 1.00 56.89 C +ANISOU 216 CG GLU A 31 7735 8011 5869 -1002 -431 442 C +ATOM 217 CD GLU A 31 13.796 49.108 -12.783 1.00 69.41 C +ANISOU 217 CD GLU A 31 9270 9738 7366 -1093 -490 633 C +ATOM 218 OE1 GLU A 31 13.292 48.627 -13.820 1.00 78.31 O +ANISOU 218 OE1 GLU A 31 10439 11059 8255 -1265 -533 670 O +ATOM 219 OE2 GLU A 31 14.494 50.144 -12.784 1.00 69.95 O +ANISOU 219 OE2 GLU A 31 9247 9733 7599 -1000 -493 748 O +ATOM 220 N LYS A 32 15.404 49.891 -7.708 1.00 48.78 N +ANISOU 220 N LYS A 32 6514 6541 5480 -446 -299 177 N +ATOM 221 CA LYS A 32 15.891 50.892 -6.762 1.00 44.68 C +ANISOU 221 CA LYS A 32 5847 5925 5204 -288 -300 115 C +ATOM 222 C LYS A 32 15.072 52.176 -6.900 1.00 40.88 C +ANISOU 222 C LYS A 32 5153 5420 4958 -278 -406 236 C +ATOM 223 O LYS A 32 14.779 52.600 -8.017 1.00 47.20 O +ANISOU 223 O LYS A 32 5920 6256 5758 -371 -473 427 O +ATOM 224 CB LYS A 32 17.383 51.152 -7.008 1.00 48.30 C +ANISOU 224 CB LYS A 32 6335 6314 5701 -230 -234 85 C +ATOM 225 CG LYS A 32 18.006 52.271 -6.192 1.00 52.02 C +ANISOU 225 CG LYS A 32 6638 6684 6445 -88 -238 8 C +ATOM 226 CD LYS A 32 19.514 52.298 -6.382 1.00 54.43 C +ANISOU 226 CD LYS A 32 6984 6937 6761 -42 -161 -45 C +ATOM 227 CE LYS A 32 20.145 53.500 -5.698 1.00 61.08 C +ANISOU 227 CE LYS A 32 7636 7673 7899 75 -171 -128 C +ATOM 228 NZ LYS A 32 21.631 53.464 -5.793 1.00 65.29 N +ANISOU 228 NZ LYS A 32 8195 8167 8444 120 -93 -199 N +ATOM 229 N PRO A 33 14.696 52.806 -5.772 1.00 35.90 N +ANISOU 229 N PRO A 33 4366 4739 4535 -165 -422 126 N +ATOM 230 CA PRO A 33 15.052 52.503 -4.380 1.00 33.83 C +ANISOU 230 CA PRO A 33 4103 4479 4273 -50 -354 -91 C +ATOM 231 C PRO A 33 14.134 51.501 -3.675 1.00 32.42 C +ANISOU 231 C PRO A 33 3992 4408 3920 -84 -332 -156 C +ATOM 232 O PRO A 33 14.057 51.526 -2.446 1.00 30.72 O +ANISOU 232 O PRO A 33 3707 4232 3733 7 -299 -305 O +ATOM 233 CB PRO A 33 14.954 53.871 -3.708 1.00 33.36 C +ANISOU 233 CB PRO A 33 3797 4335 4542 61 -390 -174 C +ATOM 234 CG PRO A 33 13.838 54.539 -4.439 1.00 40.81 C +ANISOU 234 CG PRO A 33 4614 5257 5636 -2 -487 -2 C +ATOM 235 CD PRO A 33 13.900 54.044 -5.867 1.00 36.96 C +ANISOU 235 CD PRO A 33 4273 4815 4954 -140 -516 221 C +ATOM 236 N TYR A 34 13.452 50.650 -4.437 1.00 34.71 N +ANISOU 236 N TYR A 34 4402 4758 4028 -221 -346 -50 N +ATOM 237 CA TYR A 34 12.709 49.517 -3.880 1.00 43.83 C +ANISOU 237 CA TYR A 34 5649 5994 5012 -279 -306 -95 C +ATOM 238 C TYR A 34 11.618 49.914 -2.885 1.00 42.03 C +ANISOU 238 C TYR A 34 5249 5833 4886 -241 -325 -159 C +ATOM 239 O TYR A 34 11.423 49.240 -1.874 1.00 41.92 O +ANISOU 239 O TYR A 34 5270 5887 4772 -220 -261 -243 O +ATOM 240 CB TYR A 34 13.680 48.541 -3.207 1.00 43.69 C +ANISOU 240 CB TYR A 34 5788 5957 4856 -220 -208 -188 C +ATOM 241 CG TYR A 34 14.921 48.270 -4.024 1.00 48.39 C +ANISOU 241 CG TYR A 34 6515 6478 5394 -222 -171 -171 C +ATOM 242 CD1 TYR A 34 14.867 47.479 -5.163 1.00 51.06 C +ANISOU 242 CD1 TYR A 34 6999 6816 5587 -359 -158 -109 C +ATOM 243 CD2 TYR A 34 16.147 48.814 -3.661 1.00 48.22 C +ANISOU 243 CD2 TYR A 34 6455 6402 5466 -93 -145 -241 C +ATOM 244 CE1 TYR A 34 16.000 47.233 -5.916 1.00 52.01 C +ANISOU 244 CE1 TYR A 34 7224 6889 5650 -363 -107 -119 C +ATOM 245 CE2 TYR A 34 17.284 48.573 -4.407 1.00 46.26 C +ANISOU 245 CE2 TYR A 34 6308 6095 5173 -96 -100 -234 C +ATOM 246 CZ TYR A 34 17.205 47.783 -5.533 1.00 49.12 C +ANISOU 246 CZ TYR A 34 6814 6463 5385 -229 -76 -173 C +ATOM 247 OH TYR A 34 18.336 47.542 -6.278 1.00 50.75 O +ANISOU 247 OH TYR A 34 7108 6632 5544 -235 -15 -190 O +ATOM 248 N LYS A 35 10.911 51.004 -3.167 1.00 43.27 N +ANISOU 248 N LYS A 35 5212 5979 5251 -232 -409 -111 N +ATOM 249 CA LYS A 35 9.825 51.444 -2.296 1.00 47.04 C +ANISOU 249 CA LYS A 35 5498 6521 5855 -196 -421 -193 C +ATOM 250 C LYS A 35 8.455 51.228 -2.932 1.00 50.37 C +ANISOU 250 C LYS A 35 5867 7013 6260 -323 -491 -74 C +ATOM 251 O LYS A 35 7.444 51.141 -2.234 1.00 52.10 O +ANISOU 251 O LYS A 35 5972 7319 6504 -334 -476 -140 O +ATOM 252 CB LYS A 35 9.992 52.920 -1.931 1.00 50.33 C +ANISOU 252 CB LYS A 35 5679 6851 6594 -64 -456 -274 C +ATOM 253 CG LYS A 35 11.220 53.224 -1.092 1.00 58.32 C +ANISOU 253 CG LYS A 35 6690 7824 7646 62 -390 -445 C +ATOM 254 CD LYS A 35 11.349 54.716 -0.844 1.00 62.55 C +ANISOU 254 CD LYS A 35 6977 8244 8547 172 -425 -543 C +ATOM 255 CE LYS A 35 12.555 55.032 0.020 1.00 60.52 C +ANISOU 255 CE LYS A 35 6696 7969 8330 286 -365 -749 C +ATOM 256 NZ LYS A 35 12.687 56.494 0.266 1.00 67.03 N +ANISOU 256 NZ LYS A 35 7264 8654 9552 382 -391 -880 N +ATOM 257 N THR A 36 8.427 51.143 -4.258 1.00 50.47 N +ANISOU 257 N THR A 36 5949 7012 6216 -427 -567 96 N +ATOM 258 CA THR A 36 7.169 51.026 -4.985 1.00 50.69 C +ANISOU 258 CA THR A 36 5905 7129 6227 -552 -661 219 C +ATOM 259 C THR A 36 7.351 50.321 -6.324 1.00 52.88 C +ANISOU 259 C THR A 36 6354 7457 6280 -707 -703 349 C +ATOM 260 O THR A 36 8.420 49.782 -6.613 1.00 53.58 O +ANISOU 260 O THR A 36 6630 7507 6222 -719 -636 322 O +ATOM 261 CB THR A 36 6.534 52.408 -5.229 1.00 48.27 C +ANISOU 261 CB THR A 36 5332 6781 6229 -484 -776 314 C +ATOM 262 OG1 THR A 36 5.245 52.246 -5.833 1.00 47.28 O +ANISOU 262 OG1 THR A 36 5114 6767 6083 -598 -876 431 O +ATOM 263 CG2 THR A 36 7.418 53.247 -6.140 1.00 44.21 C +ANISOU 263 CG2 THR A 36 4812 6164 5823 -448 -836 467 C +ATOM 264 N SER A 37 6.297 50.324 -7.134 1.00 50.77 N +ANISOU 264 N SER A 37 6005 7297 5988 -826 -813 473 N +ATOM 265 CA SER A 37 6.347 49.735 -8.466 1.00 45.06 C +ANISOU 265 CA SER A 37 5410 6677 5035 -991 -867 579 C +ATOM 266 C SER A 37 5.577 50.581 -9.479 1.00 49.85 C +ANISOU 266 C SER A 37 5836 7384 5719 -1042 -1040 799 C +ATOM 267 O SER A 37 4.448 51.001 -9.221 1.00 58.22 O +ANISOU 267 O SER A 37 6699 8486 6937 -1030 -1122 841 O +ATOM 268 CB SER A 37 5.794 48.308 -8.437 1.00 45.94 C +ANISOU 268 CB SER A 37 5660 6870 4927 -1147 -812 470 C +ATOM 269 OG SER A 37 5.773 47.737 -9.734 1.00 44.88 O +ANISOU 269 OG SER A 37 5627 6856 4569 -1320 -865 525 O +ATOM 270 N LYS A 38 6.195 50.826 -10.631 1.00 47.55 N +ANISOU 270 N LYS A 38 5603 7149 5315 -1098 -1095 951 N +ATOM 271 CA LYS A 38 5.565 51.597 -11.698 1.00 49.46 C +ANISOU 271 CA LYS A 38 5683 7518 5591 -1155 -1270 1213 C +ATOM 272 C LYS A 38 5.117 50.676 -12.828 1.00 49.12 C +ANISOU 272 C LYS A 38 5737 7723 5204 -1376 -1333 1245 C +ATOM 273 O LYS A 38 4.495 51.117 -13.794 1.00 57.42 O +ANISOU 273 O LYS A 38 6661 8950 6205 -1457 -1494 1464 O +ATOM 274 CB LYS A 38 6.524 52.660 -12.245 1.00 53.43 C +ANISOU 274 CB LYS A 38 6146 7942 6213 -1074 -1297 1407 C +ATOM 275 CG LYS A 38 7.006 53.698 -11.238 1.00 53.41 C +ANISOU 275 CG LYS A 38 6019 7689 6587 -867 -1246 1367 C +ATOM 276 CD LYS A 38 5.883 54.634 -10.814 1.00 58.29 C +ANISOU 276 CD LYS A 38 6355 8244 7547 -774 -1356 1450 C +ATOM 277 CE LYS A 38 6.436 55.931 -10.239 1.00 63.77 C +ANISOU 277 CE LYS A 38 6887 8690 8652 -589 -1337 1470 C +ATOM 278 NZ LYS A 38 5.522 56.544 -9.238 1.00 64.76 N +ANISOU 278 NZ LYS A 38 6773 8709 9122 -464 -1355 1356 N +ATOM 279 N ARG A 39 5.433 49.393 -12.691 1.00 44.51 N +ANISOU 279 N ARG A 39 5365 7154 4394 -1473 -1209 1022 N +ATOM 280 CA ARG A 39 5.089 48.399 -13.700 1.00 49.34 C +ANISOU 280 CA ARG A 39 6078 7982 4686 -1694 -1242 973 C +ATOM 281 C ARG A 39 4.557 47.130 -13.051 1.00 48.18 C +ANISOU 281 C ARG A 39 6029 7799 4479 -1783 -1147 731 C +ATOM 282 O ARG A 39 5.265 46.462 -12.297 1.00 46.88 O +ANISOU 282 O ARG A 39 6022 7463 4326 -1727 -987 558 O +ATOM 283 CB ARG A 39 6.292 48.066 -14.581 1.00 51.06 C +ANISOU 283 CB ARG A 39 6476 8258 4666 -1760 -1169 948 C +ATOM 284 CG ARG A 39 5.977 47.007 -15.620 1.00 50.59 C +ANISOU 284 CG ARG A 39 6514 8435 4271 -1997 -1187 839 C +ATOM 285 CD ARG A 39 4.965 47.513 -16.633 1.00 56.61 C +ANISOU 285 CD ARG A 39 7098 9491 4919 -2121 -1397 1055 C +ATOM 286 NE ARG A 39 4.497 46.445 -17.512 1.00 66.32 N +ANISOU 286 NE ARG A 39 8396 10970 5833 -2364 -1423 898 N +ATOM 287 CZ ARG A 39 5.153 46.013 -18.582 1.00 69.90 C +ANISOU 287 CZ ARG A 39 8948 11539 6070 -2451 -1335 816 C +ATOM 288 NH1 ARG A 39 4.647 45.034 -19.320 1.00 71.60 N +ANISOU 288 NH1 ARG A 39 9185 11897 6121 -2618 -1304 625 N +ATOM 289 NH2 ARG A 39 6.316 46.556 -18.914 1.00 73.22 N +ANISOU 289 NH2 ARG A 39 9427 11935 6458 -2372 -1273 913 N +ATOM 290 N PHE A 40 3.306 46.800 -13.352 1.00 44.30 N +ANISOU 290 N PHE A 40 5429 7468 3934 -1923 -1251 737 N +ATOM 291 CA PHE A 40 2.636 45.701 -12.674 1.00 45.43 C +ANISOU 291 CA PHE A 40 5622 7565 4074 -2014 -1167 539 C +ATOM 292 C PHE A 40 1.484 45.121 -13.487 1.00 50.84 C +ANISOU 292 C PHE A 40 6230 8483 4604 -2241 -1283 514 C +ATOM 293 O PHE A 40 0.926 45.782 -14.364 1.00 50.88 O +ANISOU 293 O PHE A 40 6077 8703 4553 -2294 -1463 689 O +ATOM 294 CB PHE A 40 2.125 46.167 -11.309 1.00 45.26 C +ANISOU 294 CB PHE A 40 5467 7401 4327 -1858 -1129 540 C +ATOM 295 CG PHE A 40 1.517 47.542 -11.328 1.00 48.80 C +ANISOU 295 CG PHE A 40 5656 7899 4988 -1743 -1279 739 C +ATOM 296 CD1 PHE A 40 0.204 47.728 -11.727 1.00 50.04 C +ANISOU 296 CD1 PHE A 40 5607 8228 5179 -1835 -1430 828 C +ATOM 297 CD2 PHE A 40 2.261 48.648 -10.950 1.00 50.80 C +ANISOU 297 CD2 PHE A 40 5854 8012 5437 -1541 -1269 832 C +ATOM 298 CE1 PHE A 40 -0.356 48.993 -11.747 1.00 49.17 C +ANISOU 298 CE1 PHE A 40 5238 8136 5308 -1714 -1570 1021 C +ATOM 299 CE2 PHE A 40 1.707 49.915 -10.968 1.00 51.04 C +ANISOU 299 CE2 PHE A 40 5630 8042 5719 -1430 -1400 1009 C +ATOM 300 CZ PHE A 40 0.396 50.087 -11.366 1.00 49.75 C +ANISOU 300 CZ PHE A 40 5262 8039 5603 -1509 -1551 1112 C +ATOM 301 N LEU A 41 1.138 43.876 -13.181 1.00 54.08 N +ANISOU 301 N LEU A 41 6741 8848 4958 -2378 -1183 305 N +ATOM 302 CA LEU A 41 -0.009 43.218 -13.789 1.00 57.36 C +ANISOU 302 CA LEU A 41 7072 9462 5262 -2608 -1275 232 C +ATOM 303 C LEU A 41 -0.989 42.817 -12.698 1.00 59.85 C +ANISOU 303 C LEU A 41 7294 9681 5767 -2620 -1219 165 C +ATOM 304 O LEU A 41 -0.600 42.634 -11.546 1.00 62.79 O +ANISOU 304 O LEU A 41 7743 9833 6281 -2495 -1066 117 O +ATOM 305 CB LEU A 41 0.419 41.983 -14.586 1.00 56.98 C +ANISOU 305 CB LEU A 41 7215 9456 4977 -2813 -1200 8 C +ATOM 306 CG LEU A 41 1.514 42.127 -15.644 1.00 56.02 C +ANISOU 306 CG LEU A 41 7217 9439 4630 -2828 -1202 10 C +ATOM 307 CD1 LEU A 41 1.815 40.773 -16.273 1.00 55.11 C +ANISOU 307 CD1 LEU A 41 7266 9315 4360 -3007 -1078 -275 C +ATOM 308 CD2 LEU A 41 1.114 43.137 -16.707 1.00 57.72 C +ANISOU 308 CD2 LEU A 41 7256 9934 4740 -2830 -1391 244 C +ATOM 309 N VAL A 42 -2.258 42.680 -13.061 1.00 60.80 N +ANISOU 309 N VAL A 42 7236 9990 5876 -2775 -1342 167 N +ATOM 310 CA VAL A 42 -3.262 42.231 -12.108 1.00 58.59 C +ANISOU 310 CA VAL A 42 6851 9649 5762 -2820 -1280 97 C +ATOM 311 C VAL A 42 -4.157 41.171 -12.745 1.00 64.73 C +ANISOU 311 C VAL A 42 7600 10570 6424 -3107 -1320 -59 C +ATOM 312 O VAL A 42 -4.532 41.272 -13.914 1.00 68.14 O +ANISOU 312 O VAL A 42 7949 11252 6688 -3241 -1485 -43 O +ATOM 313 CB VAL A 42 -4.117 43.415 -11.583 1.00 66.46 C +ANISOU 313 CB VAL A 42 7565 10711 6975 -2674 -1389 268 C +ATOM 314 CG1 VAL A 42 -4.873 44.094 -12.720 1.00 66.46 C +ANISOU 314 CG1 VAL A 42 7350 10988 6912 -2744 -1637 419 C +ATOM 315 CG2 VAL A 42 -5.071 42.953 -10.489 1.00 69.02 C +ANISOU 315 CG2 VAL A 42 7781 10981 7463 -2713 -1290 182 C +ATOM 316 N LYS A 43 -4.465 40.135 -11.972 1.00 66.37 N +ANISOU 316 N LYS A 43 7874 10621 6722 -3204 -1162 -208 N +ATOM 317 CA LYS A 43 -5.401 39.103 -12.391 1.00 64.54 C +ANISOU 317 CA LYS A 43 7591 10482 6449 -3483 -1177 -374 C +ATOM 318 C LYS A 43 -6.447 38.904 -11.309 1.00 64.28 C +ANISOU 318 C LYS A 43 7402 10394 6626 -3508 -1106 -363 C +ATOM 319 O LYS A 43 -6.115 38.593 -10.166 1.00 67.99 O +ANISOU 319 O LYS A 43 7969 10643 7223 -3414 -923 -358 O +ATOM 320 CB LYS A 43 -4.659 37.800 -12.690 1.00 65.43 C +ANISOU 320 CB LYS A 43 7959 10428 6474 -3629 -1028 -597 C +ATOM 321 CG LYS A 43 -5.537 36.643 -13.126 1.00 71.16 C +ANISOU 321 CG LYS A 43 8652 11177 7210 -3875 -997 -794 C +ATOM 322 CD LYS A 43 -4.822 35.327 -12.892 1.00 74.26 C +ANISOU 322 CD LYS A 43 9280 11282 7653 -3984 -796 -1000 C +ATOM 323 CE LYS A 43 -5.500 34.191 -13.631 1.00 78.88 C +ANISOU 323 CE LYS A 43 9848 11873 8248 -4182 -760 -1219 C +ATOM 324 NZ LYS A 43 -4.537 33.097 -13.933 1.00 81.88 N +ANISOU 324 NZ LYS A 43 10458 12016 8637 -4240 -600 -1436 N +ATOM 325 N TYR A 44 -7.712 39.089 -11.669 1.00 64.18 N +ANISOU 325 N TYR A 44 7139 10603 6643 -3630 -1250 -349 N +ATOM 326 CA TYR A 44 -8.796 38.996 -10.700 1.00 60.96 C +ANISOU 326 CA TYR A 44 6538 10191 6433 -3668 -1193 -338 C +ATOM 327 C TYR A 44 -9.366 37.589 -10.593 1.00 60.48 C +ANISOU 327 C TYR A 44 6536 10031 6414 -3899 -1059 -516 C +ATOM 328 O TYR A 44 -9.493 36.877 -11.590 1.00 62.38 O +ANISOU 328 O TYR A 44 6845 10306 6549 -4030 -1090 -652 O +ATOM 329 CB TYR A 44 -9.915 39.975 -11.063 1.00 56.02 C +ANISOU 329 CB TYR A 44 5612 9789 5884 -3579 -1376 -211 C +ATOM 330 CG TYR A 44 -9.508 41.429 -11.001 1.00 57.91 C +ANISOU 330 CG TYR A 44 5744 10083 6176 -3337 -1497 -12 C +ATOM 331 CD1 TYR A 44 -9.169 42.123 -12.154 1.00 60.29 C +ANISOU 331 CD1 TYR A 44 6051 10506 6350 -3254 -1667 109 C +ATOM 332 CD2 TYR A 44 -9.455 42.105 -9.789 1.00 58.90 C +ANISOU 332 CD2 TYR A 44 5780 10100 6498 -3145 -1404 58 C +ATOM 333 CE1 TYR A 44 -8.795 43.453 -12.105 1.00 59.97 C +ANISOU 333 CE1 TYR A 44 5905 10479 6402 -3033 -1772 311 C +ATOM 334 CE2 TYR A 44 -9.082 43.436 -9.729 1.00 56.02 C +ANISOU 334 CE2 TYR A 44 5319 9730 6235 -2893 -1492 217 C +ATOM 335 CZ TYR A 44 -8.754 44.105 -10.890 1.00 60.40 C +ANISOU 335 CZ TYR A 44 5856 10406 6688 -2860 -1691 353 C +ATOM 336 OH TYR A 44 -8.382 45.428 -10.838 1.00 65.22 O +ANISOU 336 OH TYR A 44 6362 10977 7443 -2617 -1774 530 O +ATOM 337 N ALA A 45 -9.704 37.193 -9.371 1.00 60.13 N +ANISOU 337 N ALA A 45 6456 9859 6532 -3935 -895 -510 N +ATOM 338 CA ALA A 45 -10.391 35.933 -9.140 1.00 68.48 C +ANISOU 338 CA ALA A 45 7524 10813 7684 -4157 -764 -637 C +ATOM 339 C ALA A 45 -11.858 36.210 -8.841 1.00 74.53 C +ANISOU 339 C ALA A 45 7992 11743 8583 -4183 -810 -599 C +ATOM 340 O ALA A 45 -12.253 37.363 -8.673 1.00 80.50 O +ANISOU 340 O ALA A 45 8542 12664 9379 -4023 -922 -478 O +ATOM 341 CB ALA A 45 -9.742 35.170 -7.997 1.00 64.31 C +ANISOU 341 CB ALA A 45 7187 9998 7248 -4153 -517 -618 C +ATOM 342 N ASP A 46 -12.667 35.158 -8.783 1.00 73.00 N +ANISOU 342 N ASP A 46 7765 11488 8485 -4377 -722 -707 N +ATOM 343 CA ASP A 46 -14.044 35.297 -8.327 1.00 77.41 C +ANISOU 343 CA ASP A 46 8046 12173 9192 -4416 -726 -679 C +ATOM 344 C ASP A 46 -14.144 34.861 -6.868 1.00 78.54 C +ANISOU 344 C ASP A 46 8187 12176 9477 -4456 -488 -615 C +ATOM 345 O ASP A 46 -14.121 33.667 -6.571 1.00 83.79 O +ANISOU 345 O ASP A 46 8981 12643 10214 -4625 -324 -673 O +ATOM 346 CB ASP A 46 -14.995 34.481 -9.205 1.00 81.69 C +ANISOU 346 CB ASP A 46 8510 12770 9757 -4609 -791 -832 C +ATOM 347 CG ASP A 46 -16.445 34.626 -8.785 1.00 91.47 C +ANISOU 347 CG ASP A 46 9451 14143 11159 -4652 -803 -810 C +ATOM 348 OD1 ASP A 46 -16.810 35.701 -8.265 1.00 91.49 O +ANISOU 348 OD1 ASP A 46 9260 14282 11220 -4486 -853 -683 O +ATOM 349 OD2 ASP A 46 -17.223 33.668 -8.981 1.00 97.11 O +ANISOU 349 OD2 ASP A 46 10115 14821 11963 -4849 -760 -932 O +ATOM 350 N PRO A 47 -14.253 35.835 -5.951 1.00 72.97 N +ANISOU 350 N PRO A 47 7329 11577 8820 -4293 -461 -489 N +ATOM 351 CA PRO A 47 -14.301 35.579 -4.507 1.00 70.29 C +ANISOU 351 CA PRO A 47 6970 11169 8567 -4304 -227 -408 C +ATOM 352 C PRO A 47 -15.495 34.724 -4.091 1.00 75.44 C +ANISOU 352 C PRO A 47 7490 11814 9361 -4484 -107 -439 C +ATOM 353 O PRO A 47 -15.428 34.014 -3.087 1.00 82.71 O +ANISOU 353 O PRO A 47 8480 12612 10335 -4564 115 -369 O +ATOM 354 CB PRO A 47 -14.411 36.983 -3.902 1.00 60.79 C +ANISOU 354 CB PRO A 47 5552 10155 7389 -4076 -274 -326 C +ATOM 355 CG PRO A 47 -13.930 37.910 -4.968 1.00 62.02 C +ANISOU 355 CG PRO A 47 5714 10383 7466 -3929 -514 -323 C +ATOM 356 CD PRO A 47 -14.334 37.273 -6.257 1.00 61.42 C +ANISOU 356 CD PRO A 47 5688 10310 7340 -4076 -650 -416 C +ATOM 357 N TYR A 48 -16.574 34.796 -4.862 1.00 76.64 N +ANISOU 357 N TYR A 48 7447 12099 9572 -4545 -255 -523 N +ATOM 358 CA TYR A 48 -17.813 34.109 -4.515 1.00 78.49 C +ANISOU 358 CA TYR A 48 7511 12353 9960 -4709 -163 -559 C +ATOM 359 C TYR A 48 -17.810 32.668 -5.018 1.00 79.03 C +ANISOU 359 C TYR A 48 7746 12209 10073 -4946 -99 -664 C +ATOM 360 O TYR A 48 -18.679 31.873 -4.664 1.00 82.96 O +ANISOU 360 O TYR A 48 8146 12655 10720 -5112 12 -685 O +ATOM 361 CB TYR A 48 -19.006 34.881 -5.075 1.00 80.11 C +ANISOU 361 CB TYR A 48 7406 12799 10235 -4657 -354 -600 C +ATOM 362 CG TYR A 48 -19.029 36.321 -4.613 1.00 78.85 C +ANISOU 362 CG TYR A 48 7062 12808 10091 -4405 -418 -511 C +ATOM 363 CD1 TYR A 48 -19.517 36.661 -3.358 1.00 81.10 C +ANISOU 363 CD1 TYR A 48 7171 13163 10480 -4341 -253 -459 C +ATOM 364 CD2 TYR A 48 -18.535 37.337 -5.421 1.00 73.99 C +ANISOU 364 CD2 TYR A 48 6444 12272 9396 -4225 -634 -480 C +ATOM 365 CE1 TYR A 48 -19.528 37.975 -2.928 1.00 78.33 C +ANISOU 365 CE1 TYR A 48 6638 12947 10177 -4099 -301 -417 C +ATOM 366 CE2 TYR A 48 -18.541 38.652 -5.000 1.00 67.73 C +ANISOU 366 CE2 TYR A 48 5473 11589 8672 -3984 -690 -404 C +ATOM 367 CZ TYR A 48 -19.039 38.966 -3.753 1.00 73.81 C +ANISOU 367 CZ TYR A 48 6062 12414 9569 -3919 -522 -390 C +ATOM 368 OH TYR A 48 -19.049 40.275 -3.330 1.00 67.22 O +ANISOU 368 OH TYR A 48 5035 11670 8836 -3671 -567 -354 O +ATOM 369 N ASN A 49 -16.824 32.344 -5.848 1.00 78.41 N +ANISOU 369 N ASN A 49 7908 12001 9882 -4956 -165 -740 N +ATOM 370 CA ASN A 49 -16.565 30.965 -6.245 1.00 83.37 C +ANISOU 370 CA ASN A 49 8726 12375 10576 -5151 -76 -858 C +ATOM 371 C ASN A 49 -15.094 30.633 -6.032 1.00 82.14 C +ANISOU 371 C ASN A 49 8881 11977 10353 -5095 30 -817 C +ATOM 372 O ASN A 49 -14.406 30.184 -6.949 1.00 79.61 O +ANISOU 372 O ASN A 49 8738 11540 9969 -5130 -26 -955 O +ATOM 373 CB ASN A 49 -16.962 30.732 -7.703 1.00 85.56 C +ANISOU 373 CB ASN A 49 8963 12745 10800 -5245 -270 -1059 C +ATOM 374 CG ASN A 49 -18.464 30.683 -7.898 1.00 90.84 C +ANISOU 374 CG ASN A 49 9343 13589 11584 -5356 -345 -1116 C +ATOM 375 OD1 ASN A 49 -19.097 29.651 -7.674 1.00 96.59 O +ANISOU 375 OD1 ASN A 49 10031 14181 12489 -5547 -229 -1182 O +ATOM 376 ND2 ASN A 49 -19.044 31.801 -8.317 1.00 91.82 N +ANISOU 376 ND2 ASN A 49 9254 14001 11631 -5231 -541 -1081 N +ATOM 377 N TYR A 50 -14.622 30.860 -4.811 1.00 84.49 N +ANISOU 377 N TYR A 50 9231 12212 10660 -5002 190 -633 N +ATOM 378 CA TYR A 50 -13.216 30.678 -4.470 1.00 85.43 C +ANISOU 378 CA TYR A 50 9626 12120 10715 -4920 290 -557 C +ATOM 379 C TYR A 50 -13.021 29.614 -3.394 1.00 91.19 C +ANISOU 379 C TYR A 50 10477 12579 11592 -5002 545 -416 C +ATOM 380 O TYR A 50 -13.788 29.539 -2.433 1.00 94.69 O +ANISOU 380 O TYR A 50 10771 13092 12115 -5037 667 -285 O +ATOM 381 CB TYR A 50 -12.610 32.007 -4.010 1.00 81.88 C +ANISOU 381 CB TYR A 50 9147 11850 10114 -4700 237 -438 C +ATOM 382 CG TYR A 50 -11.098 32.052 -4.050 1.00 81.65 C +ANISOU 382 CG TYR A 50 9407 11637 9981 -4531 260 -400 C +ATOM 383 CD1 TYR A 50 -10.432 32.671 -5.099 1.00 80.63 C +ANISOU 383 CD1 TYR A 50 9357 11567 9713 -4416 79 -495 C +ATOM 384 CD2 TYR A 50 -10.338 31.469 -3.045 1.00 79.21 C +ANISOU 384 CD2 TYR A 50 9290 11098 9708 -4450 460 -250 C +ATOM 385 CE1 TYR A 50 -9.052 32.713 -5.143 1.00 76.95 C +ANISOU 385 CE1 TYR A 50 9147 10929 9160 -4229 107 -466 C +ATOM 386 CE2 TYR A 50 -8.958 31.506 -3.080 1.00 77.80 C +ANISOU 386 CE2 TYR A 50 9365 10748 9448 -4253 473 -216 C +ATOM 387 CZ TYR A 50 -8.320 32.129 -4.132 1.00 76.13 C +ANISOU 387 CZ TYR A 50 9222 10591 9112 -4145 302 -336 C +ATOM 388 OH TYR A 50 -6.946 32.168 -4.172 1.00 73.85 O +ANISOU 388 OH TYR A 50 9169 10138 8751 -3955 323 -311 O +ATOM 389 N ASP A 51 -11.992 28.791 -3.564 1.00 91.46 N +ANISOU 389 N ASP A 51 10775 12305 11669 -5020 624 -431 N +ATOM 390 CA ASP A 51 -11.669 27.757 -2.590 1.00 90.02 C +ANISOU 390 CA ASP A 51 10728 11829 11646 -5066 853 -253 C +ATOM 391 C ASP A 51 -10.518 28.223 -1.705 1.00 87.98 C +ANISOU 391 C ASP A 51 10630 11538 11259 -4879 942 -44 C +ATOM 392 O ASP A 51 -9.364 28.249 -2.133 1.00 83.45 O +ANISOU 392 O ASP A 51 10268 10817 10623 -4753 902 -90 O +ATOM 393 CB ASP A 51 -11.303 26.450 -3.301 1.00 89.95 C +ANISOU 393 CB ASP A 51 10887 11461 11830 -5191 893 -397 C +ATOM 394 CG ASP A 51 -11.239 25.259 -2.357 1.00 94.85 C +ANISOU 394 CG ASP A 51 11589 11756 12694 -5260 1114 -193 C +ATOM 395 OD1 ASP A 51 -11.047 25.454 -1.139 1.00 91.86 O +ANISOU 395 OD1 ASP A 51 11223 11409 12272 -5167 1245 90 O +ATOM 396 OD2 ASP A 51 -11.373 24.117 -2.843 1.00102.64 O +ANISOU 396 OD2 ASP A 51 12618 12461 13921 -5401 1154 -311 O +ATOM 397 N LEU A 52 -10.841 28.594 -0.470 1.00 90.14 N +ANISOU 397 N LEU A 52 10797 11969 11484 -4815 1059 176 N +ATOM 398 CA LEU A 52 -9.839 29.069 0.478 1.00 86.63 C +ANISOU 398 CA LEU A 52 10483 11541 10893 -4531 1123 376 C +ATOM 399 C LEU A 52 -8.957 27.927 0.974 1.00 91.23 C +ANISOU 399 C LEU A 52 11307 11769 11589 -4538 1283 555 C +ATOM 400 O LEU A 52 -7.788 28.131 1.303 1.00 91.76 O +ANISOU 400 O LEU A 52 11551 11758 11555 -4300 1286 653 O +ATOM 401 CB LEU A 52 -10.511 29.776 1.656 1.00 79.48 C +ANISOU 401 CB LEU A 52 9367 10946 9884 -4457 1203 525 C +ATOM 402 CG LEU A 52 -11.101 31.151 1.333 1.00 70.88 C +ANISOU 402 CG LEU A 52 8047 10197 8689 -4344 1041 374 C +ATOM 403 CD1 LEU A 52 -11.769 31.757 2.557 1.00 69.77 C +ANISOU 403 CD1 LEU A 52 7685 10349 8475 -4282 1154 486 C +ATOM 404 CD2 LEU A 52 -10.024 32.079 0.790 1.00 61.36 C +ANISOU 404 CD2 LEU A 52 6968 8999 7348 -4071 881 292 C +ATOM 405 N SER A 53 -9.525 26.726 1.030 1.00 95.49 N +ANISOU 405 N SER A 53 11837 12083 12363 -4779 1404 600 N +ATOM 406 CA SER A 53 -8.771 25.537 1.409 1.00 97.03 C +ANISOU 406 CA SER A 53 12237 11888 12742 -4774 1542 776 C +ATOM 407 C SER A 53 -7.726 25.213 0.348 1.00 96.86 C +ANISOU 407 C SER A 53 12431 11585 12788 -4742 1463 576 C +ATOM 408 O SER A 53 -6.625 24.760 0.660 1.00102.48 O +ANISOU 408 O SER A 53 13345 12041 13552 -4625 1536 714 O +ATOM 409 CB SER A 53 -9.708 24.345 1.615 1.00101.95 C +ANISOU 409 CB SER A 53 12764 12317 13657 -4970 1655 847 C +ATOM 410 OG SER A 53 -10.396 24.443 2.850 1.00105.22 O +ANISOU 410 OG SER A 53 13029 12933 14016 -4969 1783 1113 O +ATOM 411 N GLY A 54 -8.087 25.451 -0.908 1.00 96.52 N +ANISOU 411 N GLY A 54 12327 11611 12737 -4836 1310 249 N +ATOM 412 CA GLY A 54 -7.194 25.221 -2.028 1.00 94.79 C +ANISOU 412 CA GLY A 54 12279 11195 12543 -4812 1228 7 C +ATOM 413 C GLY A 54 -6.071 26.237 -2.085 1.00 89.41 C +ANISOU 413 C GLY A 54 11716 10643 11614 -4518 1131 22 C +ATOM 414 O GLY A 54 -6.123 27.273 -1.423 1.00 88.20 O +ANISOU 414 O GLY A 54 11479 10774 11260 -4332 1089 162 O +ATOM 415 N ARG A 55 -5.049 25.937 -2.880 1.00 89.48 N +ANISOU 415 N ARG A 55 11904 10441 11652 -4451 1098 -142 N +ATOM 416 CA ARG A 55 -3.895 26.817 -3.018 1.00 87.84 C +ANISOU 416 CA ARG A 55 11811 10327 11236 -4154 1008 -140 C +ATOM 417 C ARG A 55 -3.727 27.290 -4.459 1.00 87.19 C +ANISOU 417 C ARG A 55 11732 10373 11025 -4183 844 -453 C +ATOM 418 O ARG A 55 -2.633 27.240 -5.019 1.00 85.29 O +ANISOU 418 O ARG A 55 11648 10007 10753 -4064 827 -562 O +ATOM 419 CB ARG A 55 -2.619 26.117 -2.541 1.00 91.43 C +ANISOU 419 CB ARG A 55 12480 10443 11816 -3997 1126 -5 C +ATOM 420 CG ARG A 55 -2.582 25.814 -1.049 1.00 96.41 C +ANISOU 420 CG ARG A 55 13117 11010 12503 -3914 1266 365 C +ATOM 421 CD ARG A 55 -2.803 27.076 -0.225 1.00 97.29 C +ANISOU 421 CD ARG A 55 13108 11517 12342 -3734 1207 519 C +ATOM 422 NE ARG A 55 -2.399 26.904 1.169 1.00 98.37 N +ANISOU 422 NE ARG A 55 13281 11640 12454 -3594 1325 856 N +ATOM 423 CZ ARG A 55 -3.245 26.837 2.192 1.00 99.30 C +ANISOU 423 CZ ARG A 55 13268 11914 12548 -3678 1422 1074 C +ATOM 424 NH1 ARG A 55 -4.551 26.929 1.983 1.00101.17 N +ANISOU 424 NH1 ARG A 55 13321 12308 12812 -3897 1418 980 N +ATOM 425 NH2 ARG A 55 -2.784 26.681 3.426 1.00 97.35 N +ANISOU 425 NH2 ARG A 55 13059 11691 12237 -3546 1522 1386 N +ATOM 426 N GLN A 56 -4.828 27.740 -5.054 1.00 88.21 N +ANISOU 426 N GLN A 56 11196 11109 11209 -4569 795 -1006 N +ATOM 427 CA GLN A 56 -4.813 28.302 -6.401 1.00 81.90 C +ANISOU 427 CA GLN A 56 10299 10545 10275 -4576 570 -1143 C +ATOM 428 C GLN A 56 -3.984 29.580 -6.468 1.00 71.84 C +ANISOU 428 C GLN A 56 8972 9412 8912 -4338 435 -1029 C +ATOM 429 O GLN A 56 -3.309 29.839 -7.465 1.00 69.68 O +ANISOU 429 O GLN A 56 8791 9169 8515 -4294 331 -1108 O +ATOM 430 CB GLN A 56 -6.243 28.581 -6.874 1.00 82.09 C +ANISOU 430 CB GLN A 56 9995 10911 10283 -4719 408 -1242 C +ATOM 431 CG GLN A 56 -6.343 29.194 -8.266 1.00 82.68 C +ANISOU 431 CG GLN A 56 9961 11260 10195 -4713 157 -1362 C +ATOM 432 CD GLN A 56 -5.890 28.256 -9.367 1.00 86.34 C +ANISOU 432 CD GLN A 56 10676 11558 10571 -4852 185 -1554 C +ATOM 433 OE1 GLN A 56 -5.827 27.041 -9.182 1.00 90.24 O +ANISOU 433 OE1 GLN A 56 11378 11764 11146 -5004 380 -1634 O +ATOM 434 NE2 GLN A 56 -5.569 28.821 -10.526 1.00 83.99 N +ANISOU 434 NE2 GLN A 56 10375 11437 10101 -4795 0 -1626 N +ATOM 435 N ALA A 57 -4.062 30.375 -5.404 1.00 66.05 N +ANISOU 435 N ALA A 57 8093 8769 8233 -4194 449 -847 N +ATOM 436 CA ALA A 57 -3.330 31.636 -5.278 1.00 60.13 C +ANISOU 436 CA ALA A 57 7282 8152 7414 -3973 341 -721 C +ATOM 437 C ALA A 57 -1.874 31.564 -5.741 1.00 61.13 C +ANISOU 437 C ALA A 57 7685 8078 7465 -3778 365 -715 C +ATOM 438 O ALA A 57 -1.429 32.391 -6.537 1.00 65.60 O +ANISOU 438 O ALA A 57 8223 8790 7911 -3639 210 -726 O +ATOM 439 CB ALA A 57 -3.387 32.120 -3.836 1.00 57.24 C +ANISOU 439 CB ALA A 57 6834 7783 7132 -3792 439 -519 C +ATOM 440 N ILE A 58 -1.139 30.573 -5.246 1.00 60.75 N +ANISOU 440 N ILE A 58 7903 7695 7485 -3761 568 -694 N +ATOM 441 CA ILE A 58 0.288 30.464 -5.534 1.00 61.45 C +ANISOU 441 CA ILE A 58 8228 7598 7524 -3542 614 -681 C +ATOM 442 C ILE A 58 0.557 30.034 -6.978 1.00 63.08 C +ANISOU 442 C ILE A 58 8559 7776 7633 -3678 564 -892 C +ATOM 443 O ILE A 58 1.610 30.339 -7.539 1.00 62.27 O +ANISOU 443 O ILE A 58 8563 7651 7447 -3499 539 -905 O +ATOM 444 CB ILE A 58 0.978 29.471 -4.561 1.00 62.88 C +ANISOU 444 CB ILE A 58 8658 7428 7806 -3449 843 -586 C +ATOM 445 CG1 ILE A 58 2.501 29.531 -4.703 1.00 60.80 C +ANISOU 445 CG1 ILE A 58 8569 7032 7499 -3159 875 -548 C +ATOM 446 CG2 ILE A 58 0.462 28.054 -4.766 1.00 65.97 C +ANISOU 446 CG2 ILE A 58 9230 7561 8273 -3749 1003 -722 C +ATOM 447 CD1 ILE A 58 3.123 30.756 -4.073 1.00 59.65 C +ANISOU 447 CD1 ILE A 58 8286 7065 7313 -2864 784 -384 C +ATOM 448 N ARG A 59 -0.403 29.346 -7.587 1.00 64.11 N +ANISOU 448 N ARG A 59 8667 7928 7765 -4010 552 -1069 N +ATOM 449 CA ARG A 59 -0.261 28.931 -8.977 1.00 63.87 C +ANISOU 449 CA ARG A 59 8753 7899 7617 -4167 497 -1293 C +ATOM 450 C ARG A 59 -0.544 30.102 -9.914 1.00 66.56 C +ANISOU 450 C ARG A 59 8890 8612 7787 -4131 238 -1318 C +ATOM 451 O ARG A 59 0.080 30.231 -10.967 1.00 71.88 O +ANISOU 451 O ARG A 59 9681 9316 8316 -4098 179 -1419 O +ATOM 452 CB ARG A 59 -1.184 27.750 -9.286 1.00 64.21 C +ANISOU 452 CB ARG A 59 8834 7856 7708 -4396 567 -1444 C +ATOM 453 CG ARG A 59 -0.911 26.529 -8.420 1.00 67.53 C +ANISOU 453 CG ARG A 59 9500 7876 8284 -4426 833 -1412 C +ATOM 454 CD ARG A 59 -1.847 25.374 -8.746 1.00 73.87 C +ANISOU 454 CD ARG A 59 10345 8592 9131 -4676 909 -1568 C +ATOM 455 NE ARG A 59 -1.578 24.212 -7.902 1.00 77.46 N +ANISOU 455 NE ARG A 59 11062 8642 9726 -4691 1172 -1517 N +ATOM 456 CZ ARG A 59 -0.800 23.193 -8.254 1.00 80.12 C +ANISOU 456 CZ ARG A 59 11729 8631 10081 -4683 1342 -1614 C +ATOM 457 NH1 ARG A 59 -0.614 22.180 -7.418 1.00 80.83 N +ANISOU 457 NH1 ARG A 59 12061 8352 10300 -4668 1577 -1536 N +ATOM 458 NH2 ARG A 59 -0.207 23.187 -9.440 1.00 80.81 N +ANISOU 458 NH2 ARG A 59 11916 8738 10052 -4675 1285 -1784 N +ATOM 459 N ASP A 60 -1.490 30.949 -9.523 1.00 64.74 N +ANISOU 459 N ASP A 60 8367 8661 7570 -4108 95 -1215 N +ATOM 460 CA ASP A 60 -1.762 32.184 -10.248 1.00 64.56 C +ANISOU 460 CA ASP A 60 8156 8979 7395 -4020 -150 -1186 C +ATOM 461 C ASP A 60 -0.576 33.137 -10.139 1.00 63.80 C +ANISOU 461 C ASP A 60 8146 8852 7243 -3683 -153 -1030 C +ATOM 462 O ASP A 60 -0.226 33.821 -11.101 1.00 65.63 O +ANISOU 462 O ASP A 60 8402 9225 7308 -3606 -283 -1048 O +ATOM 463 CB ASP A 60 -3.031 32.857 -9.719 1.00 66.52 C +ANISOU 463 CB ASP A 60 8071 9501 7702 -4009 -272 -1094 C +ATOM 464 CG ASP A 60 -4.294 32.120 -10.121 1.00 77.68 C +ANISOU 464 CG ASP A 60 9355 11020 9141 -4211 -308 -1232 C +ATOM 465 OD1 ASP A 60 -4.183 31.028 -10.717 1.00 84.89 O +ANISOU 465 OD1 ASP A 60 10452 11767 10035 -4375 -222 -1395 O +ATOM 466 OD2 ASP A 60 -5.399 32.633 -9.842 1.00 80.33 O +ANISOU 466 OD2 ASP A 60 9397 11606 9517 -4205 -416 -1186 O +ATOM 467 N GLU A 61 0.028 33.178 -8.955 1.00 65.19 N +ANISOU 467 N GLU A 61 8369 8852 7547 -3496 -7 -878 N +ATOM 468 CA GLU A 61 1.168 34.050 -8.685 1.00 68.68 C +ANISOU 468 CA GLU A 61 8871 9268 7958 -3198 6 -740 C +ATOM 469 C GLU A 61 2.356 33.757 -9.596 1.00 68.30 C +ANISOU 469 C GLU A 61 9047 9095 7807 -3152 60 -838 C +ATOM 470 O GLU A 61 2.858 34.652 -10.277 1.00 65.11 O +ANISOU 470 O GLU A 61 8647 8819 7273 -3040 -31 -816 O +ATOM 471 CB GLU A 61 1.600 33.923 -7.222 1.00 72.67 C +ANISOU 471 CB GLU A 61 9398 9606 8608 -3039 157 -590 C +ATOM 472 CG GLU A 61 0.790 34.766 -6.252 1.00 76.79 C +ANISOU 472 CG GLU A 61 9692 10294 9192 -2966 100 -448 C +ATOM 473 CD GLU A 61 1.057 34.402 -4.804 1.00 79.33 C +ANISOU 473 CD GLU A 61 10056 10450 9634 -2866 263 -323 C +ATOM 474 OE1 GLU A 61 2.239 34.386 -4.402 1.00 78.89 O +ANISOU 474 OE1 GLU A 61 10140 10254 9579 -2676 344 -260 O +ATOM 475 OE2 GLU A 61 0.084 34.133 -4.068 1.00 81.70 O +ANISOU 475 OE2 GLU A 61 10243 10779 10020 -2978 311 -289 O +ATOM 476 N ILE A 62 2.804 32.505 -9.602 1.00 70.17 N +ANISOU 476 N ILE A 62 9482 9072 8106 -3235 227 -944 N +ATOM 477 CA ILE A 62 3.984 32.117 -10.368 1.00 70.08 C +ANISOU 477 CA ILE A 62 9684 8921 8021 -3169 318 -1048 C +ATOM 478 C ILE A 62 3.745 32.258 -11.872 1.00 73.92 C +ANISOU 478 C ILE A 62 10205 9568 8313 -3330 198 -1215 C +ATOM 479 O ILE A 62 4.669 32.556 -12.626 1.00 75.58 O +ANISOU 479 O ILE A 62 10523 9791 8404 -3236 216 -1259 O +ATOM 480 CB ILE A 62 4.426 30.668 -10.034 1.00 66.44 C +ANISOU 480 CB ILE A 62 9443 8120 7680 -3209 534 -1130 C +ATOM 481 CG1 ILE A 62 5.791 30.363 -10.658 1.00 64.71 C +ANISOU 481 CG1 ILE A 62 9417 7761 7408 -3065 649 -1216 C +ATOM 482 CG2 ILE A 62 3.382 29.650 -10.484 1.00 68.00 C +ANISOU 482 CG2 ILE A 62 9699 8245 7893 -3542 553 -1308 C +ATOM 483 CD1 ILE A 62 6.403 29.064 -10.184 1.00 66.91 C +ANISOU 483 CD1 ILE A 62 9914 7687 7821 -3004 870 -1254 C +ATOM 484 N GLU A 63 2.502 32.061 -12.301 1.00 72.67 N +ANISOU 484 N GLU A 63 9946 9554 8111 -3577 76 -1311 N +ATOM 485 CA GLU A 63 2.150 32.220 -13.707 1.00 71.50 C +ANISOU 485 CA GLU A 63 9814 9604 7747 -3735 -73 -1465 C +ATOM 486 C GLU A 63 2.232 33.684 -14.122 1.00 65.97 C +ANISOU 486 C GLU A 63 8998 9172 6896 -3564 -251 -1327 C +ATOM 487 O GLU A 63 2.832 34.020 -15.143 1.00 67.12 O +ANISOU 487 O GLU A 63 9266 9384 6854 -3535 -282 -1381 O +ATOM 488 CB GLU A 63 0.746 31.675 -13.977 1.00 75.93 C +ANISOU 488 CB GLU A 63 10251 10296 8304 -4040 -181 -1601 C +ATOM 489 CG GLU A 63 0.700 30.185 -14.274 1.00 85.17 C +ANISOU 489 CG GLU A 63 11606 11219 9535 -4208 -12 -1789 C +ATOM 490 CD GLU A 63 -0.708 29.691 -14.550 1.00 92.47 C +ANISOU 490 CD GLU A 63 12368 12290 10475 -4403 -102 -1875 C +ATOM 491 OE1 GLU A 63 -1.643 30.520 -14.535 1.00 91.25 O +ANISOU 491 OE1 GLU A 63 11945 12441 10284 -4388 -301 -1790 O +ATOM 492 OE2 GLU A 63 -0.881 28.475 -14.778 1.00 96.32 O +ANISOU 492 OE2 GLU A 63 12996 12587 11015 -4567 31 -2033 O +ATOM 493 N LEU A 64 1.621 34.549 -13.319 1.00 61.58 N +ANISOU 493 N LEU A 64 8224 8754 6419 -3451 -350 -1147 N +ATOM 494 CA LEU A 64 1.550 35.972 -13.624 1.00 62.63 C +ANISOU 494 CA LEU A 64 8252 9115 6428 -3282 -516 -1000 C +ATOM 495 C LEU A 64 2.923 36.634 -13.538 1.00 61.72 C +ANISOU 495 C LEU A 64 8272 8891 6288 -3057 -409 -900 C +ATOM 496 O LEU A 64 3.231 37.546 -14.305 1.00 66.46 O +ANISOU 496 O LEU A 64 8917 9618 6718 -2978 -494 -849 O +ATOM 497 CB LEU A 64 0.571 36.667 -12.677 1.00 59.47 C +ANISOU 497 CB LEU A 64 7594 8854 6148 -3202 -613 -847 C +ATOM 498 CG LEU A 64 0.187 38.101 -13.037 1.00 56.25 C +ANISOU 498 CG LEU A 64 7066 8689 5619 -3039 -806 -703 C +ATOM 499 CD1 LEU A 64 -0.488 38.141 -14.398 1.00 54.20 C +ANISOU 499 CD1 LEU A 64 6789 8668 5135 -3173 -1011 -804 C +ATOM 500 CD2 LEU A 64 -0.715 38.696 -11.970 1.00 56.28 C +ANISOU 500 CD2 LEU A 64 6818 8792 5772 -2937 -858 -568 C +ATOM 501 N ALA A 65 3.740 36.171 -12.597 1.00 57.91 N +ANISOU 501 N ALA A 65 7850 8183 5970 -2960 -222 -869 N +ATOM 502 CA ALA A 65 5.092 36.691 -12.427 1.00 57.28 C +ANISOU 502 CA ALA A 65 7863 8014 5887 -2764 -110 -799 C +ATOM 503 C ALA A 65 5.950 36.368 -13.644 1.00 60.20 C +ANISOU 503 C ALA A 65 8425 8350 6098 -2816 -42 -942 C +ATOM 504 O ALA A 65 6.736 37.198 -14.098 1.00 58.20 O +ANISOU 504 O ALA A 65 8223 8155 5736 -2716 -29 -895 O +ATOM 505 CB ALA A 65 5.725 36.129 -11.164 1.00 53.77 C +ANISOU 505 CB ALA A 65 7427 7364 5639 -2648 55 -748 C +ATOM 506 N ILE A 66 5.791 35.155 -14.166 1.00 61.10 N +ANISOU 506 N ILE A 66 8655 8362 6197 -2987 18 -1126 N +ATOM 507 CA ILE A 66 6.515 34.727 -15.356 1.00 57.61 C +ANISOU 507 CA ILE A 66 8408 7886 5596 -3055 99 -1296 C +ATOM 508 C ILE A 66 6.101 35.557 -16.568 1.00 61.16 C +ANISOU 508 C ILE A 66 8870 8586 5782 -3134 -73 -1304 C +ATOM 509 O ILE A 66 6.947 35.985 -17.353 1.00 62.37 O +ANISOU 509 O ILE A 66 9144 8777 5778 -3086 -18 -1326 O +ATOM 510 CB ILE A 66 6.285 33.227 -15.645 1.00 57.10 C +ANISOU 510 CB ILE A 66 8481 7642 5571 -3244 200 -1512 C +ATOM 511 CG1 ILE A 66 7.071 32.370 -14.652 1.00 51.58 C +ANISOU 511 CG1 ILE A 66 7851 6651 5095 -3112 415 -1500 C +ATOM 512 CG2 ILE A 66 6.700 32.875 -17.065 1.00 51.85 C +ANISOU 512 CG2 ILE A 66 8008 7004 4688 -3363 240 -1716 C +ATOM 513 CD1 ILE A 66 6.842 30.883 -14.812 1.00 51.56 C +ANISOU 513 CD1 ILE A 66 8017 6411 5161 -3281 543 -1694 C +ATOM 514 N GLU A 67 4.800 35.800 -16.699 1.00 61.12 N +ANISOU 514 N GLU A 67 8732 8766 5725 -3244 -279 -1279 N +ATOM 515 CA GLU A 67 4.269 36.589 -17.807 1.00 61.96 C +ANISOU 515 CA GLU A 67 8839 9135 5569 -3294 -478 -1263 C +ATOM 516 C GLU A 67 4.893 37.981 -17.847 1.00 57.34 C +ANISOU 516 C GLU A 67 8264 8618 4903 -3086 -494 -1064 C +ATOM 517 O GLU A 67 5.224 38.493 -18.916 1.00 63.17 O +ANISOU 517 O GLU A 67 9137 9465 5399 -3094 -530 -1068 O +ATOM 518 CB GLU A 67 2.745 36.696 -17.703 1.00 66.57 C +ANISOU 518 CB GLU A 67 9213 9927 6155 -3396 -707 -1240 C +ATOM 519 CG GLU A 67 2.100 37.543 -18.789 1.00 72.78 C +ANISOU 519 CG GLU A 67 9975 11014 6664 -3406 -950 -1195 C +ATOM 520 CD GLU A 67 0.592 37.618 -18.651 1.00 82.08 C +ANISOU 520 CD GLU A 67 10896 12422 7869 -3474 -1176 -1176 C +ATOM 521 OE1 GLU A 67 -0.025 38.485 -19.305 1.00 86.08 O +ANISOU 521 OE1 GLU A 67 11327 13171 8208 -3378 -1384 -1069 O +ATOM 522 OE2 GLU A 67 0.022 36.807 -17.890 1.00 86.37 O +ANISOU 522 OE2 GLU A 67 11306 12887 8624 -3585 -1123 -1250 O +ATOM 523 N LEU A 68 5.051 38.588 -16.676 1.00 53.10 N +ANISOU 523 N LEU A 68 7603 8012 4562 -2915 -456 -895 N +ATOM 524 CA LEU A 68 5.664 39.907 -16.575 1.00 56.67 C +ANISOU 524 CA LEU A 68 8071 8491 4970 -2736 -445 -719 C +ATOM 525 C LEU A 68 7.177 39.822 -16.768 1.00 61.32 C +ANISOU 525 C LEU A 68 8814 8941 5544 -2691 -226 -773 C +ATOM 526 O LEU A 68 7.782 40.690 -17.397 1.00 63.85 O +ANISOU 526 O LEU A 68 9237 9312 5710 -2646 -199 -710 O +ATOM 527 CB LEU A 68 5.338 40.548 -15.225 1.00 55.21 C +ANISOU 527 CB LEU A 68 7705 8276 4995 -2585 -466 -552 C +ATOM 528 CG LEU A 68 5.917 41.941 -14.974 1.00 55.86 C +ANISOU 528 CG LEU A 68 7805 8357 5061 -2414 -444 -380 C +ATOM 529 CD1 LEU A 68 5.414 42.928 -16.017 1.00 55.04 C +ANISOU 529 CD1 LEU A 68 7769 8417 4725 -2395 -603 -285 C +ATOM 530 CD2 LEU A 68 5.579 42.419 -13.571 1.00 57.14 C +ANISOU 530 CD2 LEU A 68 7797 8477 5435 -2283 -447 -257 C +ATOM 531 N ALA A 69 7.780 38.770 -16.221 1.00 60.99 N +ANISOU 531 N ALA A 69 8785 8725 5664 -2698 -62 -886 N +ATOM 532 CA ALA A 69 9.223 38.569 -16.311 1.00 58.24 C +ANISOU 532 CA ALA A 69 8537 8260 5333 -2632 151 -953 C +ATOM 533 C ALA A 69 9.671 38.337 -17.748 1.00 61.20 C +ANISOU 533 C ALA A 69 9100 8684 5468 -2745 210 -1098 C +ATOM 534 O ALA A 69 10.777 38.715 -18.132 1.00 67.21 O +ANISOU 534 O ALA A 69 9939 9438 6161 -2696 355 -1112 O +ATOM 535 CB ALA A 69 9.651 37.405 -15.436 1.00 56.08 C +ANISOU 535 CB ALA A 69 8240 7790 5278 -2587 294 -1034 C +ATOM 536 N ARG A 70 8.804 37.713 -18.539 1.00 61.35 N +ANISOU 536 N ARG A 70 9188 8771 5353 -2911 104 -1219 N +ATOM 537 CA ARG A 70 9.099 37.440 -19.940 1.00 60.70 C +ANISOU 537 CA ARG A 70 9301 8756 5008 -3038 145 -1376 C +ATOM 538 C ARG A 70 9.122 38.729 -20.748 1.00 57.98 C +ANISOU 538 C ARG A 70 9022 8595 4411 -3018 53 -1241 C +ATOM 539 O ARG A 70 9.631 38.764 -21.869 1.00 61.06 O +ANISOU 539 O ARG A 70 9592 9048 4561 -3091 127 -1329 O +ATOM 540 CB ARG A 70 8.061 36.482 -20.531 1.00 65.15 C +ANISOU 540 CB ARG A 70 9908 9367 5478 -3243 28 -1549 C +ATOM 541 CG ARG A 70 8.186 35.044 -20.064 1.00 68.55 C +ANISOU 541 CG ARG A 70 10371 9569 6105 -3307 175 -1731 C +ATOM 542 CD ARG A 70 7.501 34.089 -21.025 1.00 69.71 C +ANISOU 542 CD ARG A 70 10643 9751 6092 -3556 123 -1971 C +ATOM 543 NE ARG A 70 7.778 32.697 -20.688 1.00 74.01 N +ANISOU 543 NE ARG A 70 11283 10024 6815 -3616 312 -2159 N +ATOM 544 CZ ARG A 70 8.859 32.033 -21.080 1.00 77.29 C +ANISOU 544 CZ ARG A 70 11875 10266 7226 -3573 549 -2315 C +ATOM 545 NH1 ARG A 70 9.026 30.767 -20.724 1.00 75.78 N +ANISOU 545 NH1 ARG A 70 11783 9800 7209 -3605 717 -2469 N +ATOM 546 NH2 ARG A 70 9.773 32.635 -21.829 1.00 79.28 N +ANISOU 546 NH2 ARG A 70 12206 10610 7307 -3487 633 -2307 N +ATOM 547 N GLU A 71 8.572 39.790 -20.169 1.00 57.83 N +ANISOU 547 N GLU A 71 8877 8651 4445 -2913 -92 -1023 N +ATOM 548 CA GLU A 71 8.476 41.064 -20.860 1.00 62.21 C +ANISOU 548 CA GLU A 71 9514 9350 4773 -2872 -188 -861 C +ATOM 549 C GLU A 71 9.563 42.049 -20.437 1.00 58.96 C +ANISOU 549 C GLU A 71 9121 8851 4429 -2748 -25 -730 C +ATOM 550 O GLU A 71 10.081 42.798 -21.263 1.00 58.92 O +ANISOU 550 O GLU A 71 9277 8897 4213 -2762 34 -672 O +ATOM 551 CB GLU A 71 7.097 41.683 -20.616 1.00 66.77 C +ANISOU 551 CB GLU A 71 9957 10071 5343 -2823 -459 -706 C +ATOM 552 CG GLU A 71 5.954 40.936 -21.284 1.00 76.21 C +ANISOU 552 CG GLU A 71 11126 11429 6400 -2973 -656 -831 C +ATOM 553 CD GLU A 71 6.121 40.826 -22.786 1.00 89.19 C +ANISOU 553 CD GLU A 71 12979 13191 7719 -3077 -673 -924 C +ATOM 554 OE1 GLU A 71 6.556 41.813 -23.413 1.00 95.04 O +ANISOU 554 OE1 GLU A 71 13854 13973 8284 -2990 -654 -782 O +ATOM 555 OE2 GLU A 71 5.822 39.746 -23.339 1.00 94.89 O +ANISOU 555 OE2 GLU A 71 13710 13918 8425 -3207 -674 -1118 O +ATOM 556 N VAL A 72 9.922 42.032 -19.156 1.00 55.38 N +ANISOU 556 N VAL A 72 8511 8271 4260 -2643 55 -690 N +ATOM 557 CA VAL A 72 10.807 43.056 -18.607 1.00 57.71 C +ANISOU 557 CA VAL A 72 8786 8505 4636 -2541 176 -568 C +ATOM 558 C VAL A 72 12.190 42.528 -18.228 1.00 62.04 C +ANISOU 558 C VAL A 72 9306 8947 5320 -2522 421 -692 C +ATOM 559 O VAL A 72 13.082 43.308 -17.890 1.00 69.51 O +ANISOU 559 O VAL A 72 10229 9866 6315 -2474 544 -633 O +ATOM 560 CB VAL A 72 10.180 43.718 -17.363 1.00 54.50 C +ANISOU 560 CB VAL A 72 8208 8070 4429 -2416 66 -408 C +ATOM 561 CG1 VAL A 72 8.804 44.278 -17.695 1.00 51.92 C +ANISOU 561 CG1 VAL A 72 7873 7865 3988 -2397 -175 -281 C +ATOM 562 CG2 VAL A 72 10.101 42.725 -16.212 1.00 53.54 C +ANISOU 562 CG2 VAL A 72 7921 7858 4563 -2378 93 -484 C +ATOM 563 N SER A 73 12.361 41.211 -18.305 1.00 61.07 N +ANISOU 563 N SER A 73 9185 8766 5254 -2560 492 -871 N +ATOM 564 CA SER A 73 13.645 40.558 -18.033 1.00 62.26 C +ANISOU 564 CA SER A 73 9305 8823 5527 -2510 718 -1002 C +ATOM 565 C SER A 73 14.313 41.010 -16.733 1.00 57.49 C +ANISOU 565 C SER A 73 8522 8170 5150 -2370 779 -914 C +ATOM 566 O SER A 73 15.336 41.693 -16.764 1.00 58.59 O +ANISOU 566 O SER A 73 8641 8341 5279 -2352 912 -904 O +ATOM 567 CB SER A 73 14.608 40.788 -19.201 1.00 61.09 C +ANISOU 567 CB SER A 73 9304 8733 5174 -2586 892 -1093 C +ATOM 568 OG SER A 73 14.322 39.913 -20.277 1.00 66.89 O +ANISOU 568 OG SER A 73 10198 9484 5732 -2700 902 -1255 O +ATOM 569 N PRO A 74 13.735 40.627 -15.583 1.00 51.79 N +ANISOU 569 N PRO A 74 7672 7383 4624 -2286 685 -859 N +ATOM 570 CA PRO A 74 14.306 41.001 -14.287 1.00 50.69 C +ANISOU 570 CA PRO A 74 7367 7215 4678 -2153 722 -782 C +ATOM 571 C PRO A 74 15.506 40.127 -13.942 1.00 55.64 C +ANISOU 571 C PRO A 74 7932 7783 5427 -2055 896 -905 C +ATOM 572 O PRO A 74 15.775 39.156 -14.648 1.00 60.01 O +ANISOU 572 O PRO A 74 8580 8284 5937 -2082 992 -1049 O +ATOM 573 CB PRO A 74 13.151 40.753 -13.320 1.00 44.39 C +ANISOU 573 CB PRO A 74 6484 6376 4006 -2111 567 -690 C +ATOM 574 CG PRO A 74 12.432 39.601 -13.931 1.00 45.23 C +ANISOU 574 CG PRO A 74 6684 6432 4068 -2205 532 -796 C +ATOM 575 CD PRO A 74 12.530 39.794 -15.427 1.00 47.95 C +ANISOU 575 CD PRO A 74 7187 6855 4177 -2330 550 -876 C +ATOM 576 N ASP A 75 16.216 40.467 -12.872 1.00 56.26 N +ANISOU 576 N ASP A 75 7852 7876 5648 -1934 934 -856 N +ATOM 577 CA ASP A 75 17.351 39.665 -12.433 1.00 57.66 C +ANISOU 577 CA ASP A 75 7935 8025 5947 -1798 1074 -955 C +ATOM 578 C ASP A 75 16.896 38.375 -11.757 1.00 60.46 C +ANISOU 578 C ASP A 75 8300 8238 6434 -1693 1044 -962 C +ATOM 579 O ASP A 75 17.590 37.359 -11.813 1.00 62.90 O +ANISOU 579 O ASP A 75 8622 8470 6809 -1588 1165 -1067 O +ATOM 580 CB ASP A 75 18.240 40.470 -11.482 1.00 57.68 C +ANISOU 580 CB ASP A 75 7748 8125 6042 -1709 1100 -905 C +ATOM 581 CG ASP A 75 18.939 41.624 -12.176 1.00 63.42 C +ANISOU 581 CG ASP A 75 8474 8967 6656 -1829 1190 -928 C +ATOM 582 OD1 ASP A 75 19.609 41.385 -13.203 1.00 69.53 O +ANISOU 582 OD1 ASP A 75 9310 9771 7338 -1886 1337 -1048 O +ATOM 583 OD2 ASP A 75 18.820 42.770 -11.693 1.00 62.44 O +ANISOU 583 OD2 ASP A 75 8301 8892 6533 -1872 1132 -832 O +ATOM 584 N VAL A 76 15.724 38.419 -11.131 1.00 59.35 N +ANISOU 584 N VAL A 76 8163 8054 6334 -1719 896 -849 N +ATOM 585 CA VAL A 76 15.238 37.297 -10.336 1.00 59.07 C +ANISOU 585 CA VAL A 76 8141 7875 6428 -1639 879 -828 C +ATOM 586 C VAL A 76 13.739 37.447 -10.058 1.00 54.92 C +ANISOU 586 C VAL A 76 7634 7334 5898 -1748 727 -732 C +ATOM 587 O VAL A 76 13.209 38.559 -10.057 1.00 53.25 O +ANISOU 587 O VAL A 76 7371 7235 5626 -1807 620 -643 O +ATOM 588 CB VAL A 76 16.023 37.183 -9.000 1.00 43.48 C +ANISOU 588 CB VAL A 76 6024 5902 4595 -1430 907 -760 C +ATOM 589 CG1 VAL A 76 15.687 38.345 -8.075 1.00 37.83 C +ANISOU 589 CG1 VAL A 76 5181 5300 3892 -1424 791 -622 C +ATOM 590 CG2 VAL A 76 15.761 35.846 -8.316 1.00 43.42 C +ANISOU 590 CG2 VAL A 76 6081 5711 4705 -1322 937 -742 C +ATOM 591 N ILE A 77 13.059 36.325 -9.838 1.00 51.54 N +ANISOU 591 N ILE A 77 7281 6762 5540 -1776 729 -754 N +ATOM 592 CA ILE A 77 11.648 36.340 -9.465 1.00 53.68 C +ANISOU 592 CA ILE A 77 7534 7031 5831 -1884 605 -676 C +ATOM 593 C ILE A 77 11.450 35.951 -8.001 1.00 57.05 C +ANISOU 593 C ILE A 77 7896 7375 6406 -1768 611 -560 C +ATOM 594 O ILE A 77 11.942 34.915 -7.553 1.00 62.57 O +ANISOU 594 O ILE A 77 8662 7918 7194 -1668 717 -580 O +ATOM 595 CB ILE A 77 10.819 35.387 -10.351 1.00 54.05 C +ANISOU 595 CB ILE A 77 7715 6991 5829 -2069 601 -800 C +ATOM 596 CG1 ILE A 77 10.732 35.922 -11.780 1.00 52.38 C +ANISOU 596 CG1 ILE A 77 7566 6909 5426 -2204 550 -891 C +ATOM 597 CG2 ILE A 77 9.423 35.191 -9.775 1.00 49.36 C +ANISOU 597 CG2 ILE A 77 7067 6390 5296 -2178 500 -732 C +ATOM 598 CD1 ILE A 77 10.030 34.978 -12.731 1.00 52.09 C +ANISOU 598 CD1 ILE A 77 7665 6814 5313 -2399 543 -1049 C +ATOM 599 N HIS A 78 10.728 36.788 -7.260 1.00 53.55 N +ANISOU 599 N HIS A 78 7336 7031 5978 -1771 506 -435 N +ATOM 600 CA HIS A 78 10.409 36.495 -5.866 1.00 50.67 C +ANISOU 600 CA HIS A 78 6917 6611 5724 -1683 512 -320 C +ATOM 601 C HIS A 78 8.993 35.947 -5.715 1.00 53.44 C +ANISOU 601 C HIS A 78 7282 6909 6114 -1836 474 -302 C +ATOM 602 O HIS A 78 8.019 36.623 -6.044 1.00 53.84 O +ANISOU 602 O HIS A 78 7253 7085 6118 -1950 365 -287 O +ATOM 603 CB HIS A 78 10.567 37.748 -5.004 1.00 45.02 C +ANISOU 603 CB HIS A 78 6061 6040 5006 -1583 448 -210 C +ATOM 604 CG HIS A 78 11.989 38.092 -4.691 1.00 48.32 C +ANISOU 604 CG HIS A 78 6434 6505 5422 -1426 501 -220 C +ATOM 605 ND1 HIS A 78 12.335 39.150 -3.879 1.00 49.87 N +ANISOU 605 ND1 HIS A 78 6513 6821 5613 -1346 461 -153 N +ATOM 606 CD2 HIS A 78 13.152 37.523 -5.085 1.00 48.55 C +ANISOU 606 CD2 HIS A 78 6502 6490 5456 -1341 595 -305 C +ATOM 607 CE1 HIS A 78 13.651 39.215 -3.783 1.00 46.66 C +ANISOU 607 CE1 HIS A 78 6062 6462 5206 -1236 517 -199 C +ATOM 608 NE2 HIS A 78 14.170 38.240 -4.505 1.00 48.70 N +ANISOU 608 NE2 HIS A 78 6402 6629 5474 -1218 599 -286 N +ATOM 609 N LEU A 79 8.888 34.721 -5.214 1.00 53.32 N +ANISOU 609 N LEU A 79 7366 6709 6186 -1836 572 -301 N +ATOM 610 CA LEU A 79 7.591 34.113 -4.945 1.00 57.30 C +ANISOU 610 CA LEU A 79 7879 7149 6742 -2006 569 -288 C +ATOM 611 C LEU A 79 7.244 34.238 -3.465 1.00 55.95 C +ANISOU 611 C LEU A 79 7637 6980 6642 -1917 587 -129 C +ATOM 612 O LEU A 79 8.124 34.160 -2.607 1.00 51.99 O +ANISOU 612 O LEU A 79 7160 6430 6163 -1719 642 -45 O +ATOM 613 CB LEU A 79 7.581 32.646 -5.375 1.00 66.20 C +ANISOU 613 CB LEU A 79 9200 8037 7917 -2108 692 -396 C +ATOM 614 CG LEU A 79 6.364 32.219 -6.197 1.00 74.90 C +ANISOU 614 CG LEU A 79 10317 9144 8997 -2400 652 -518 C +ATOM 615 CD1 LEU A 79 6.201 33.124 -7.410 1.00 72.06 C +ANISOU 615 CD1 LEU A 79 9875 9005 8501 -2481 508 -606 C +ATOM 616 CD2 LEU A 79 6.483 30.763 -6.622 1.00 82.62 C +ANISOU 616 CD2 LEU A 79 11520 9849 10023 -2508 798 -649 C +ATOM 617 N ASN A 80 5.963 34.434 -3.166 1.00 53.70 N +ANISOU 617 N ASN A 80 7251 6772 6379 -2061 539 -93 N +ATOM 618 CA ASN A 80 5.540 34.650 -1.788 1.00 57.51 C +ANISOU 618 CA ASN A 80 7659 7283 6909 -1992 567 49 C +ATOM 619 C ASN A 80 5.362 33.340 -1.027 1.00 64.27 C +ANISOU 619 C ASN A 80 8662 7916 7842 -2027 716 102 C +ATOM 620 O ASN A 80 4.244 32.869 -0.822 1.00 65.01 O +ANISOU 620 O ASN A 80 8738 7977 7985 -2216 760 102 O +ATOM 621 CB ASN A 80 4.241 35.457 -1.745 1.00 59.70 C +ANISOU 621 CB ASN A 80 7747 7751 7184 -2111 472 65 C +ATOM 622 CG ASN A 80 3.861 35.872 -0.335 1.00 61.06 C +ANISOU 622 CG ASN A 80 7830 7982 7387 -2023 508 200 C +ATOM 623 OD1 ASN A 80 4.701 35.899 0.565 1.00 63.31 O +ANISOU 623 OD1 ASN A 80 8175 8220 7661 -1848 561 287 O +ATOM 624 ND2 ASN A 80 2.589 36.198 -0.137 1.00 59.75 N +ANISOU 624 ND2 ASN A 80 7510 7941 7251 -2142 479 211 N +ATOM 625 N SER A 81 6.484 32.758 -0.620 1.00 66.16 N +ANISOU 625 N SER A 81 9046 8003 8089 -1839 799 149 N +ATOM 626 CA SER A 81 6.491 31.575 0.230 1.00 62.54 C +ANISOU 626 CA SER A 81 8765 7309 7689 -1807 948 242 C +ATOM 627 C SER A 81 7.816 31.514 0.978 1.00 60.15 C +ANISOU 627 C SER A 81 8526 6969 7358 -1498 971 346 C +ATOM 628 O SER A 81 8.874 31.393 0.365 1.00 58.48 O +ANISOU 628 O SER A 81 8356 6725 7137 -1366 966 274 O +ATOM 629 CB SER A 81 6.275 30.304 -0.593 1.00 60.99 C +ANISOU 629 CB SER A 81 8763 6860 7551 -1976 1056 124 C +ATOM 630 OG SER A 81 6.258 29.157 0.240 1.00 61.99 O +ANISOU 630 OG SER A 81 9097 6718 7737 -1945 1220 229 O +ATOM 631 N THR A 82 7.759 31.597 2.302 1.00 59.70 N +ANISOU 631 N THR A 82 8466 6938 7279 -1382 996 509 N +ATOM 632 CA THR A 82 8.975 31.680 3.101 1.00 62.33 C +ANISOU 632 CA THR A 82 8818 7306 7560 -1082 979 611 C +ATOM 633 C THR A 82 9.638 30.313 3.251 1.00 66.80 C +ANISOU 633 C THR A 82 9623 7592 8165 -931 1103 669 C +ATOM 634 O THR A 82 9.347 29.569 4.187 1.00 73.45 O +ANISOU 634 O THR A 82 10621 8278 9007 -888 1202 820 O +ATOM 635 CB THR A 82 8.690 32.265 4.500 1.00 58.12 C +ANISOU 635 CB THR A 82 8210 6918 6955 -1004 955 762 C +ATOM 636 OG1 THR A 82 7.945 33.481 4.369 1.00 56.19 O +ANISOU 636 OG1 THR A 82 7764 6894 6691 -1142 865 705 O +ATOM 637 CG2 THR A 82 9.992 32.549 5.237 1.00 49.17 C +ANISOU 637 CG2 THR A 82 7047 5896 5741 -706 892 835 C +ATOM 638 N LEU A 83 10.525 29.988 2.315 1.00 64.12 N +ANISOU 638 N LEU A 83 9324 7182 7856 -843 1110 553 N +ATOM 639 CA LEU A 83 11.260 28.729 2.365 1.00 67.04 C +ANISOU 639 CA LEU A 83 9919 7279 8274 -653 1230 594 C +ATOM 640 C LEU A 83 12.764 28.977 2.453 1.00 66.04 C +ANISOU 640 C LEU A 83 9701 7280 8113 -326 1167 597 C +ATOM 641 O LEU A 83 13.566 28.068 2.238 1.00 69.75 O +ANISOU 641 O LEU A 83 10310 7563 8630 -127 1252 591 O +ATOM 642 CB LEU A 83 10.940 27.865 1.143 1.00 67.63 C +ANISOU 642 CB LEU A 83 10156 7109 8431 -841 1339 429 C +ATOM 643 CG LEU A 83 9.465 27.616 0.821 1.00 65.60 C +ANISOU 643 CG LEU A 83 9952 6761 8213 -1211 1389 370 C +ATOM 644 CD1 LEU A 83 9.329 26.681 -0.371 1.00 65.61 C +ANISOU 644 CD1 LEU A 83 10133 6517 8279 -1379 1496 185 C +ATOM 645 CD2 LEU A 83 8.729 27.058 2.028 1.00 65.84 C +ANISOU 645 CD2 LEU A 83 10110 6649 8259 -1250 1489 556 C +ATOM 646 N GLY A 84 13.139 30.212 2.771 1.00 64.67 N +ANISOU 646 N GLY A 84 9284 7423 7863 -273 1026 595 N +ATOM 647 CA GLY A 84 14.535 30.570 2.948 1.00 70.53 C +ANISOU 647 CA GLY A 84 9888 8344 8568 4 955 586 C +ATOM 648 C GLY A 84 15.253 30.963 1.670 1.00 73.65 C +ANISOU 648 C GLY A 84 10168 8828 8988 -27 945 387 C +ATOM 649 O GLY A 84 16.482 30.987 1.624 1.00 76.65 O +ANISOU 649 O GLY A 84 10446 9312 9364 200 928 350 O +ATOM 650 N GLY A 85 14.487 31.277 0.630 1.00 73.19 N +ANISOU 650 N GLY A 85 10117 8747 8945 -306 955 259 N +ATOM 651 CA GLY A 85 15.056 31.743 -0.622 1.00 72.53 C +ANISOU 651 CA GLY A 85 9944 8760 8854 -371 951 78 C +ATOM 652 C GLY A 85 15.602 30.638 -1.506 1.00 76.32 C +ANISOU 652 C GLY A 85 10579 9025 9395 -298 1084 -33 C +ATOM 653 O GLY A 85 16.517 30.865 -2.298 1.00 79.35 O +ANISOU 653 O GLY A 85 10879 9502 9770 -237 1107 -164 O +ATOM 654 N ILE A 86 15.041 29.441 -1.374 1.00 78.15 N +ANISOU 654 N ILE A 86 11047 8958 9690 -315 1190 11 N +ATOM 655 CA ILE A 86 15.456 28.305 -2.190 1.00 79.52 C +ANISOU 655 CA ILE A 86 11412 8872 9929 -256 1340 -106 C +ATOM 656 C ILE A 86 14.800 28.382 -3.569 1.00 78.46 C +ANISOU 656 C ILE A 86 11334 8706 9772 -569 1366 -305 C +ATOM 657 O ILE A 86 13.643 28.787 -3.694 1.00 78.83 O +ANISOU 657 O ILE A 86 11366 8801 9786 -843 1299 -306 O +ATOM 658 CB ILE A 86 15.117 26.956 -1.505 1.00 73.08 C +ANISOU 658 CB ILE A 86 10870 7705 9191 -161 1465 17 C +ATOM 659 CG1 ILE A 86 15.686 25.782 -2.307 1.00 76.68 C +ANISOU 659 CG1 ILE A 86 11542 7868 9725 -54 1637 -112 C +ATOM 660 CG2 ILE A 86 13.614 26.803 -1.304 1.00 71.68 C +ANISOU 660 CG2 ILE A 86 10804 7412 9020 -479 1474 60 C +ATOM 661 CD1 ILE A 86 15.864 24.517 -1.497 1.00 83.12 C +ANISOU 661 CD1 ILE A 86 12617 8345 10619 187 1767 41 C +ATOM 662 N GLU A 87 15.550 28.024 -4.607 1.00 77.38 N +ANISOU 662 N GLU A 87 11248 8515 9639 -519 1460 -476 N +ATOM 663 CA GLU A 87 15.021 28.048 -5.965 1.00 76.09 C +ANISOU 663 CA GLU A 87 11156 8333 9420 -803 1486 -676 C +ATOM 664 C GLU A 87 13.933 26.992 -6.137 1.00 72.91 C +ANISOU 664 C GLU A 87 11003 7632 9066 -1018 1570 -720 C +ATOM 665 O GLU A 87 14.124 25.829 -5.782 1.00 76.32 O +ANISOU 665 O GLU A 87 11646 7759 9593 -889 1712 -693 O +ATOM 666 CB GLU A 87 16.137 27.822 -6.990 1.00 84.57 C +ANISOU 666 CB GLU A 87 12247 9407 10479 -687 1597 -858 C +ATOM 667 CG GLU A 87 17.305 28.794 -6.884 1.00 91.79 C +ANISOU 667 CG GLU A 87 12904 10617 11356 -496 1544 -843 C +ATOM 668 CD GLU A 87 18.394 28.309 -5.946 1.00 98.34 C +ANISOU 668 CD GLU A 87 13675 11413 12276 -114 1591 -741 C +ATOM 669 OE1 GLU A 87 18.078 27.563 -4.995 1.00103.21 O +ANISOU 669 OE1 GLU A 87 14417 11833 12965 9 1604 -592 O +ATOM 670 OE2 GLU A 87 19.570 28.672 -6.160 1.00100.23 O +ANISOU 670 OE2 GLU A 87 13738 11834 12509 64 1617 -806 O +ATOM 671 N VAL A 88 12.793 27.413 -6.677 1.00 66.74 N +ANISOU 671 N VAL A 88 10196 6943 8220 -1347 1483 -786 N +ATOM 672 CA VAL A 88 11.660 26.522 -6.915 1.00 65.97 C +ANISOU 672 CA VAL A 88 10290 6617 8158 -1619 1547 -859 C +ATOM 673 C VAL A 88 12.048 25.347 -7.813 1.00 67.87 C +ANISOU 673 C VAL A 88 10789 6569 8428 -1638 1727 -1061 C +ATOM 674 O VAL A 88 11.584 24.224 -7.616 1.00 73.36 O +ANISOU 674 O VAL A 88 11719 6943 9212 -1725 1860 -1083 O +ATOM 675 CB VAL A 88 10.471 27.287 -7.543 1.00 60.75 C +ANISOU 675 CB VAL A 88 9503 6181 7400 -1954 1395 -931 C +ATOM 676 CG1 VAL A 88 9.347 26.333 -7.916 1.00 57.66 C +ANISOU 676 CG1 VAL A 88 9282 5587 7040 -2269 1459 -1053 C +ATOM 677 CG2 VAL A 88 9.960 28.348 -6.582 1.00 57.64 C +ANISOU 677 CG2 VAL A 88 8881 6023 6997 -1933 1244 -736 C +ATOM 678 N ARG A 89 12.915 25.607 -8.788 1.00 65.63 N +ANISOU 678 N ARG A 89 10477 6388 8072 -1562 1751 -1212 N +ATOM 679 CA ARG A 89 13.339 24.576 -9.732 1.00 69.06 C +ANISOU 679 CA ARG A 89 11152 6571 8517 -1573 1934 -1433 C +ATOM 680 C ARG A 89 14.114 23.441 -9.060 1.00 74.61 C +ANISOU 680 C ARG A 89 12048 6931 9371 -1262 2122 -1369 C +ATOM 681 O ARG A 89 14.289 22.374 -9.647 1.00 79.53 O +ANISOU 681 O ARG A 89 12929 7250 10040 -1272 2305 -1536 O +ATOM 682 CB ARG A 89 14.187 25.195 -10.847 1.00 68.09 C +ANISOU 682 CB ARG A 89 10935 6667 8270 -1532 1933 -1593 C +ATOM 683 CG ARG A 89 15.631 25.470 -10.458 1.00 70.49 C +ANISOU 683 CG ARG A 89 11103 7059 8620 -1149 1986 -1518 C +ATOM 684 CD ARG A 89 16.384 26.158 -11.586 1.00 73.47 C +ANISOU 684 CD ARG A 89 11376 7675 8865 -1163 2002 -1679 C +ATOM 685 NE ARG A 89 17.678 26.672 -11.147 1.00 77.35 N +ANISOU 685 NE ARG A 89 11658 8338 9395 -846 2020 -1601 N +ATOM 686 CZ ARG A 89 18.820 25.998 -11.238 1.00 80.23 C +ANISOU 686 CZ ARG A 89 12054 8590 9838 -561 2192 -1679 C +ATOM 687 NH1 ARG A 89 18.831 24.777 -11.753 1.00 83.83 N +ANISOU 687 NH1 ARG A 89 12779 8727 10347 -541 2375 -1834 N +ATOM 688 NH2 ARG A 89 19.951 26.544 -10.813 1.00 80.33 N +ANISOU 688 NH2 ARG A 89 11824 8814 9882 -295 2185 -1613 N +ATOM 689 N LYS A 90 14.579 23.672 -7.836 1.00 74.30 N +ANISOU 689 N LYS A 90 11894 6937 9399 -977 2078 -1129 N +ATOM 690 CA LYS A 90 15.306 22.646 -7.094 1.00 77.58 C +ANISOU 690 CA LYS A 90 12484 7049 9943 -636 2230 -1023 C +ATOM 691 C LYS A 90 14.429 21.994 -6.033 1.00 80.13 C +ANISOU 691 C LYS A 90 12983 7117 10346 -699 2263 -837 C +ATOM 692 O LYS A 90 14.932 21.300 -5.150 1.00 81.01 O +ANISOU 692 O LYS A 90 13228 7008 10544 -396 2353 -670 O +ATOM 693 CB LYS A 90 16.553 23.232 -6.428 1.00 78.47 C +ANISOU 693 CB LYS A 90 12362 7392 10062 -234 2163 -881 C +ATOM 694 CG LYS A 90 17.646 23.676 -7.385 1.00 79.64 C +ANISOU 694 CG LYS A 90 12355 7745 10161 -115 2191 -1060 C +ATOM 695 CD LYS A 90 18.861 24.177 -6.616 1.00 79.30 C +ANISOU 695 CD LYS A 90 12057 7934 10139 270 2128 -924 C +ATOM 696 CE LYS A 90 20.011 24.523 -7.545 1.00 82.70 C +ANISOU 696 CE LYS A 90 12327 8558 10537 391 2194 -1112 C +ATOM 697 NZ LYS A 90 21.138 25.162 -6.810 1.00 84.50 N +ANISOU 697 NZ LYS A 90 12247 9082 10778 707 2109 -1000 N +ATOM 698 N LEU A 91 13.122 22.218 -6.114 1.00 80.63 N +ANISOU 698 N LEU A 91 13041 7221 10373 -1087 2194 -860 N +ATOM 699 CA LEU A 91 12.214 21.707 -5.094 1.00 80.35 C +ANISOU 699 CA LEU A 91 13140 6987 10404 -1193 2234 -685 C +ATOM 700 C LEU A 91 11.658 20.326 -5.419 1.00 82.52 C +ANISOU 700 C LEU A 91 13784 6802 10769 -1389 2451 -803 C +ATOM 701 O LEU A 91 10.675 20.193 -6.148 1.00 82.39 O +ANISOU 701 O LEU A 91 13811 6765 10728 -1793 2455 -987 O +ATOM 702 CB LEU A 91 11.057 22.683 -4.872 1.00 77.86 C +ANISOU 702 CB LEU A 91 12595 6972 10018 -1499 2057 -637 C +ATOM 703 CG LEU A 91 11.352 23.888 -3.976 1.00 76.95 C +ANISOU 703 CG LEU A 91 12185 7207 9844 -1307 1879 -434 C +ATOM 704 CD1 LEU A 91 10.091 24.708 -3.749 1.00 76.08 C +ANISOU 704 CD1 LEU A 91 11889 7333 9685 -1607 1741 -396 C +ATOM 705 CD2 LEU A 91 11.948 23.437 -2.652 1.00 78.61 C +ANISOU 705 CD2 LEU A 91 12488 7274 10108 -967 1940 -187 C +ATOM 706 N ASP A 92 12.293 19.302 -4.862 1.00 87.46 N +ANISOU 706 N ASP A 92 14676 7058 11495 -1097 2629 -695 N +ATOM 707 CA ASP A 92 11.743 17.955 -4.877 1.00 91.90 C +ANISOU 707 CA ASP A 92 15634 7121 12161 -1262 2861 -748 C +ATOM 708 C ASP A 92 11.531 17.521 -3.433 1.00 91.69 C +ANISOU 708 C ASP A 92 15752 6893 12193 -1111 2926 -431 C +ATOM 709 O ASP A 92 11.982 18.200 -2.511 1.00 87.05 O +ANISOU 709 O ASP A 92 14964 6554 11558 -831 2790 -197 O +ATOM 710 CB ASP A 92 12.655 16.980 -5.631 1.00 96.55 C +ANISOU 710 CB ASP A 92 16496 7368 12819 -1053 3063 -921 C +ATOM 711 CG ASP A 92 14.109 17.068 -5.196 1.00 96.11 C +ANISOU 711 CG ASP A 92 16364 7369 12786 -484 3056 -776 C +ATOM 712 OD1 ASP A 92 14.376 17.233 -3.987 1.00 97.29 O +ANISOU 712 OD1 ASP A 92 16451 7571 12942 -208 2991 -482 O +ATOM 713 OD2 ASP A 92 14.993 16.962 -6.072 1.00 94.81 O +ANISOU 713 OD2 ASP A 92 16191 7211 12622 -315 3117 -965 O +ATOM 714 N GLU A 93 10.847 16.398 -3.240 1.00100.08 N +ANISOU 714 N GLU A 93 17171 7507 13346 -1313 3139 -430 N +ATOM 715 CA GLU A 93 10.532 15.902 -1.902 1.00107.70 C +ANISOU 715 CA GLU A 93 18327 8241 14353 -1220 3236 -125 C +ATOM 716 C GLU A 93 11.767 15.774 -1.009 1.00108.47 C +ANISOU 716 C GLU A 93 18475 8290 14449 -627 3230 145 C +ATOM 717 O GLU A 93 11.688 15.990 0.199 1.00106.44 O +ANISOU 717 O GLU A 93 18187 8110 14146 -475 3177 436 O +ATOM 718 CB GLU A 93 9.813 14.556 -1.996 1.00117.06 C +ANISOU 718 CB GLU A 93 19886 8963 15628 -1480 3478 -194 C +ATOM 719 CG GLU A 93 8.441 14.643 -2.645 1.00124.24 C +ANISOU 719 CG GLU A 93 20636 10065 16506 -2051 3422 -423 C +ATOM 720 CD GLU A 93 7.590 13.417 -2.382 1.00136.29 C +ANISOU 720 CD GLU A 93 22370 11337 18077 -2274 3583 -424 C +ATOM 721 OE1 GLU A 93 8.069 12.496 -1.688 1.00141.07 O +ANISOU 721 OE1 GLU A 93 23266 11600 18734 -1994 3743 -238 O +ATOM 722 OE2 GLU A 93 6.441 13.376 -2.870 1.00139.90 O +ANISOU 722 OE2 GLU A 93 22696 11946 18515 -2719 3547 -608 O +ATOM 723 N SER A 94 12.902 15.426 -1.607 1.00110.35 N +ANISOU 723 N SER A 94 18778 8422 14728 -289 3283 42 N +ATOM 724 CA SER A 94 14.148 15.271 -0.861 1.00111.22 C +ANISOU 724 CA SER A 94 18901 8515 14841 303 3266 272 C +ATOM 725 C SER A 94 14.575 16.569 -0.175 1.00106.10 C +ANISOU 725 C SER A 94 17821 8423 14071 497 2988 432 C +ATOM 726 O SER A 94 14.954 16.565 0.996 1.00106.91 O +ANISOU 726 O SER A 94 17932 8558 14130 820 2936 723 O +ATOM 727 CB SER A 94 15.264 14.786 -1.788 1.00114.36 C +ANISOU 727 CB SER A 94 19373 8771 15309 602 3367 77 C +ATOM 728 OG SER A 94 14.831 13.695 -2.581 1.00118.34 O +ANISOU 728 OG SER A 94 20262 8786 15915 366 3620 -136 O +ATOM 729 N THR A 95 14.511 17.676 -0.907 1.00100.46 N +ANISOU 729 N THR A 95 16745 8137 13289 297 2814 240 N +ATOM 730 CA THR A 95 14.940 18.965 -0.376 1.00 94.20 C +ANISOU 730 CA THR A 95 15547 7859 12387 446 2564 349 C +ATOM 731 C THR A 95 13.837 19.626 0.447 1.00 92.08 C +ANISOU 731 C THR A 95 15166 7778 12043 167 2456 496 C +ATOM 732 O THR A 95 14.116 20.384 1.374 1.00 88.72 O +ANISOU 732 O THR A 95 14529 7652 11530 348 2299 680 O +ATOM 733 CB THR A 95 15.375 19.927 -1.499 1.00 85.43 C +ANISOU 733 CB THR A 95 14116 7114 11230 357 2440 95 C +ATOM 734 OG1 THR A 95 14.339 20.017 -2.484 1.00 86.81 O +ANISOU 734 OG1 THR A 95 14323 7262 11400 -122 2466 -131 O +ATOM 735 CG2 THR A 95 16.655 19.434 -2.158 1.00 80.41 C +ANISOU 735 CG2 THR A 95 13519 6382 10653 703 2536 -30 C +ATOM 736 N ILE A 96 12.587 19.333 0.100 1.00 92.57 N +ANISOU 736 N ILE A 96 15360 7674 12137 -280 2545 397 N +ATOM 737 CA ILE A 96 11.436 19.851 0.836 1.00 89.43 C +ANISOU 737 CA ILE A 96 14863 7428 11687 -566 2480 517 C +ATOM 738 C ILE A 96 11.415 19.359 2.281 1.00 93.68 C +ANISOU 738 C ILE A 96 15594 7796 12204 -357 2554 839 C +ATOM 739 O ILE A 96 11.231 20.146 3.210 1.00 92.01 O +ANISOU 739 O ILE A 96 15191 7873 11895 -312 2423 1009 O +ATOM 740 CB ILE A 96 10.113 19.458 0.152 1.00 86.86 C +ANISOU 740 CB ILE A 96 14649 6938 11417 -1086 2585 332 C +ATOM 741 CG1 ILE A 96 9.957 20.208 -1.171 1.00 81.06 C +ANISOU 741 CG1 ILE A 96 13668 6484 10649 -1321 2454 42 C +ATOM 742 CG2 ILE A 96 8.928 19.757 1.056 1.00 85.97 C +ANISOU 742 CG2 ILE A 96 14472 6920 11273 -1349 2573 480 C +ATOM 743 CD1 ILE A 96 8.729 19.809 -1.945 1.00 80.95 C +ANISOU 743 CD1 ILE A 96 13737 6350 10672 -1820 2530 -170 C +ATOM 744 N ASP A 97 11.608 18.057 2.467 1.00101.50 N +ANISOU 744 N ASP A 97 16985 8305 13275 -225 2772 924 N +ATOM 745 CA ASP A 97 11.613 17.471 3.803 1.00109.12 C +ANISOU 745 CA ASP A 97 18198 9058 14205 -9 2865 1252 C +ATOM 746 C ASP A 97 12.810 17.952 4.621 1.00112.94 C +ANISOU 746 C ASP A 97 18521 9807 14585 516 2695 1460 C +ATOM 747 O ASP A 97 12.810 17.860 5.848 1.00116.94 O +ANISOU 747 O ASP A 97 19123 10311 14999 701 2689 1746 O +ATOM 748 CB ASP A 97 11.607 15.943 3.718 1.00114.22 C +ANISOU 748 CB ASP A 97 19346 9085 14967 31 3153 1292 C +ATOM 749 CG ASP A 97 10.235 15.384 3.387 1.00117.90 C +ANISOU 749 CG ASP A 97 20015 9270 15512 -525 3345 1168 C +ATOM 750 OD1 ASP A 97 9.493 15.033 4.328 1.00120.36 O +ANISOU 750 OD1 ASP A 97 20402 9553 15778 -648 3401 1340 O +ATOM 751 OD2 ASP A 97 9.894 15.299 2.188 1.00118.82 O +ANISOU 751 OD2 ASP A 97 20098 9346 15703 -834 3378 856 O +ATOM 752 N ALA A 98 13.829 18.460 3.934 1.00112.59 N +ANISOU 752 N ALA A 98 18228 10005 14546 743 2562 1307 N +ATOM 753 CA ALA A 98 15.027 18.961 4.598 1.00112.82 C +ANISOU 753 CA ALA A 98 18049 10335 14484 1217 2387 1455 C +ATOM 754 C ALA A 98 14.903 20.451 4.912 1.00110.15 C +ANISOU 754 C ALA A 98 17285 10544 14022 1102 2143 1435 C +ATOM 755 O ALA A 98 15.820 21.055 5.468 1.00111.59 O +ANISOU 755 O ALA A 98 17239 11046 14114 1424 1973 1524 O +ATOM 756 CB ALA A 98 16.254 18.700 3.740 1.00113.97 C +ANISOU 756 CB ALA A 98 18137 10460 14707 1533 2394 1298 C +ATOM 757 N LEU A 99 13.762 21.035 4.555 1.00105.11 N +ANISOU 757 N LEU A 99 16542 10012 13384 644 2128 1311 N +ATOM 758 CA LEU A 99 13.483 22.440 4.849 1.00 97.62 C +ANISOU 758 CA LEU A 99 15231 9531 12331 508 1925 1291 C +ATOM 759 C LEU A 99 12.976 22.628 6.272 1.00 99.43 C +ANISOU 759 C LEU A 99 15497 9840 12443 532 1899 1549 C +ATOM 760 O LEU A 99 12.311 21.752 6.826 1.00104.04 O +ANISOU 760 O LEU A 99 16384 10108 13040 451 2067 1702 O +ATOM 761 CB LEU A 99 12.461 23.012 3.862 1.00 90.42 C +ANISOU 761 CB LEU A 99 14181 8713 11462 45 1911 1058 C +ATOM 762 CG LEU A 99 12.885 23.154 2.401 1.00 89.40 C +ANISOU 762 CG LEU A 99 13955 8617 11396 -30 1897 781 C +ATOM 763 CD1 LEU A 99 11.711 23.610 1.549 1.00 88.68 C +ANISOU 763 CD1 LEU A 99 13769 8604 11320 -491 1879 592 C +ATOM 764 CD2 LEU A 99 14.051 24.122 2.273 1.00 86.75 C +ANISOU 764 CD2 LEU A 99 13315 8647 11000 228 1725 735 C +ATOM 765 N GLN A 100 13.295 23.776 6.860 1.00 97.35 N +ANISOU 765 N GLN A 100 14935 9995 12058 628 1703 1589 N +ATOM 766 CA GLN A 100 12.836 24.095 8.205 1.00 98.72 C +ANISOU 766 CA GLN A 100 15117 10299 12093 645 1667 1808 C +ATOM 767 C GLN A 100 11.459 24.749 8.153 1.00 93.56 C +ANISOU 767 C GLN A 100 14356 9751 11442 212 1685 1731 C +ATOM 768 O GLN A 100 11.275 25.880 8.604 1.00 95.18 O +ANISOU 768 O GLN A 100 14311 10302 11552 160 1548 1723 O +ATOM 769 CB GLN A 100 13.833 25.019 8.907 1.00103.53 C +ANISOU 769 CB GLN A 100 15464 11313 12559 946 1451 1867 C +ATOM 770 CG GLN A 100 15.044 24.306 9.483 1.00112.22 C +ANISOU 770 CG GLN A 100 16684 12351 13605 1423 1424 2039 C +ATOM 771 CD GLN A 100 16.057 25.268 10.075 1.00114.42 C +ANISOU 771 CD GLN A 100 16652 13080 13743 1684 1191 2050 C +ATOM 772 OE1 GLN A 100 16.166 26.416 9.643 1.00112.07 O +ANISOU 772 OE1 GLN A 100 16040 13099 13443 1533 1064 1861 O +ATOM 773 NE2 GLN A 100 16.801 24.804 11.072 1.00117.66 N +ANISOU 773 NE2 GLN A 100 17155 13521 14028 2073 1133 2272 N +ATOM 774 N ILE A 101 10.498 24.022 7.593 1.00 89.04 N +ANISOU 774 N ILE A 101 13968 8879 10983 -97 1859 1662 N +ATOM 775 CA ILE A 101 9.114 24.474 7.533 1.00 81.47 C +ANISOU 775 CA ILE A 101 12908 8004 10044 -509 1895 1591 C +ATOM 776 C ILE A 101 8.200 23.500 8.270 1.00 84.77 C +ANISOU 776 C ILE A 101 13624 8113 10470 -673 2118 1758 C +ATOM 777 O ILE A 101 8.622 22.405 8.643 1.00 91.03 O +ANISOU 777 O ILE A 101 14745 8571 11271 -488 2256 1914 O +ATOM 778 CB ILE A 101 8.639 24.636 6.078 1.00 77.33 C +ANISOU 778 CB ILE A 101 12265 7475 9640 -812 1883 1311 C +ATOM 779 CG1 ILE A 101 8.888 23.349 5.292 1.00 78.95 C +ANISOU 779 CG1 ILE A 101 12765 7271 9963 -824 2045 1233 C +ATOM 780 CG2 ILE A 101 9.363 25.793 5.413 1.00 72.01 C +ANISOU 780 CG2 ILE A 101 11282 7143 8935 -706 1674 1160 C +ATOM 781 CD1 ILE A 101 8.283 23.353 3.904 1.00 77.27 C +ANISOU 781 CD1 ILE A 101 12483 7032 9844 -1166 2054 955 C +ATOM 782 N SER A 102 6.951 23.905 8.482 1.00 82.89 N +ANISOU 782 N SER A 102 13274 7987 10233 -1015 2162 1729 N +ATOM 783 CA SER A 102 5.977 23.073 9.184 1.00 85.72 C +ANISOU 783 CA SER A 102 13880 8089 10600 -1232 2394 1870 C +ATOM 784 C SER A 102 5.711 21.766 8.445 1.00 90.87 C +ANISOU 784 C SER A 102 14837 8288 11400 -1422 2600 1793 C +ATOM 785 O SER A 102 6.010 21.641 7.258 1.00 91.28 O +ANISOU 785 O SER A 102 14851 8278 11553 -1471 2554 1579 O +ATOM 786 CB SER A 102 4.662 23.834 9.376 1.00 81.20 C +ANISOU 786 CB SER A 102 13059 7770 10024 -1584 2398 1800 C +ATOM 787 OG SER A 102 3.972 23.978 8.147 1.00 80.56 O +ANISOU 787 OG SER A 102 12809 7724 10076 -1911 2373 1537 O +ATOM 788 N ASP A 103 5.148 20.794 9.157 1.00 93.99 N +ANISOU 788 N ASP A 103 15552 8360 11799 -1542 2842 1964 N +ATOM 789 CA ASP A 103 4.811 19.508 8.564 1.00 96.44 C +ANISOU 789 CA ASP A 103 16099 8294 12251 -1720 3002 1847 C +ATOM 790 C ASP A 103 3.722 19.687 7.516 1.00 93.97 C +ANISOU 790 C ASP A 103 15554 8094 12058 -2181 2986 1541 C +ATOM 791 O ASP A 103 3.653 18.936 6.545 1.00 96.96 O +ANISOU 791 O ASP A 103 16043 8247 12549 -2329 3048 1344 O +ATOM 792 CB ASP A 103 4.346 18.518 9.636 1.00101.20 C +ANISOU 792 CB ASP A 103 16936 8696 12820 -1720 3160 2029 C +ATOM 793 CG ASP A 103 5.476 18.051 10.531 1.00104.06 C +ANISOU 793 CG ASP A 103 17577 8892 13068 -1240 3172 2315 C +ATOM 794 OD1 ASP A 103 6.635 18.032 10.069 1.00105.91 O +ANISOU 794 OD1 ASP A 103 17899 9031 13311 -915 3108 2329 O +ATOM 795 OD2 ASP A 103 5.202 17.698 11.698 1.00103.93 O +ANISOU 795 OD2 ASP A 103 17683 8857 12948 -1178 3241 2524 O +ATOM 796 N ARG A 104 2.876 20.692 7.717 1.00 90.24 N +ANISOU 796 N ARG A 104 14748 7991 11548 -2387 2894 1495 N +ATOM 797 CA ARG A 104 1.818 20.995 6.764 1.00 90.04 C +ANISOU 797 CA ARG A 104 14445 8150 11616 -2779 2834 1218 C +ATOM 798 C ARG A 104 2.400 21.694 5.540 1.00 87.57 C +ANISOU 798 C ARG A 104 13993 7955 11325 -2769 2682 1031 C +ATOM 799 O ARG A 104 1.983 21.444 4.410 1.00 87.29 O +ANISOU 799 O ARG A 104 13888 7907 11371 -3012 2651 779 O +ATOM 800 CB ARG A 104 0.739 21.867 7.409 1.00 90.85 C +ANISOU 800 CB ARG A 104 14223 8619 11677 -2950 2782 1240 C +ATOM 801 CG ARG A 104 -0.367 22.276 6.453 1.00 93.10 C +ANISOU 801 CG ARG A 104 14178 9148 12047 -3300 2687 971 C +ATOM 802 CD ARG A 104 -1.387 21.158 6.311 1.00 99.03 C +ANISOU 802 CD ARG A 104 15004 9728 12896 -3596 2827 862 C +ATOM 803 NE ARG A 104 -2.404 21.456 5.308 1.00101.41 N +ANISOU 803 NE ARG A 104 14997 10267 13268 -3908 2720 597 N +ATOM 804 CZ ARG A 104 -2.416 20.936 4.085 1.00104.22 C +ANISOU 804 CZ ARG A 104 15397 10519 13683 -4064 2686 368 C +ATOM 805 NH1 ARG A 104 -1.469 20.084 3.718 1.00103.85 N +ANISOU 805 NH1 ARG A 104 15693 10115 13652 -3941 2772 364 N +ATOM 806 NH2 ARG A 104 -3.378 21.260 3.231 1.00106.72 N +ANISOU 806 NH2 ARG A 104 15416 11096 14035 -4326 2566 143 N +ATOM 807 N GLY A 105 3.370 22.572 5.783 1.00 85.40 N +ANISOU 807 N GLY A 105 13599 7896 10955 -2417 2514 1121 N +ATOM 808 CA GLY A 105 4.088 23.251 4.719 1.00 86.13 C +ANISOU 808 CA GLY A 105 13496 8184 11044 -2286 2305 941 C +ATOM 809 C GLY A 105 4.765 22.299 3.753 1.00 88.77 C +ANISOU 809 C GLY A 105 14078 8195 11457 -2244 2381 810 C +ATOM 810 O GLY A 105 4.731 22.505 2.540 1.00 88.41 O +ANISOU 810 O GLY A 105 13916 8231 11444 -2386 2293 572 O +ATOM 811 N LYS A 106 5.391 21.258 4.296 1.00 92.05 N +ANISOU 811 N LYS A 106 14846 8239 11890 -2032 2548 969 N +ATOM 812 CA LYS A 106 6.063 20.253 3.480 1.00 90.62 C +ANISOU 812 CA LYS A 106 14942 7696 11792 -1953 2657 857 C +ATOM 813 C LYS A 106 5.074 19.503 2.594 1.00 90.57 C +ANISOU 813 C LYS A 106 15060 7457 11894 -2420 2805 627 C +ATOM 814 O LYS A 106 5.321 19.308 1.405 1.00 91.66 O +ANISOU 814 O LYS A 106 15214 7539 12075 -2499 2782 386 O +ATOM 815 CB LYS A 106 6.828 19.268 4.367 1.00 94.10 C +ANISOU 815 CB LYS A 106 15757 7765 12232 -1612 2820 1109 C +ATOM 816 CG LYS A 106 7.944 19.907 5.176 1.00 92.58 C +ANISOU 816 CG LYS A 106 15444 7810 11921 -1126 2658 1314 C +ATOM 817 CD LYS A 106 8.681 18.890 6.030 1.00 94.07 C +ANISOU 817 CD LYS A 106 16005 7643 12094 -761 2802 1575 C +ATOM 818 CE LYS A 106 9.791 19.555 6.831 1.00 92.28 C +ANISOU 818 CE LYS A 106 15618 7711 11733 -284 2611 1762 C +ATOM 819 NZ LYS A 106 10.469 18.600 7.750 1.00 98.72 N +ANISOU 819 NZ LYS A 106 16785 8220 12506 103 2724 2048 N +ATOM 820 N GLU A 107 3.956 19.089 3.184 1.00 88.75 N +ANISOU 820 N GLU A 107 14837 7201 11682 -2679 2900 673 N +ATOM 821 CA GLU A 107 2.912 18.372 2.457 1.00 89.39 C +ANISOU 821 CA GLU A 107 14898 7230 11836 -3060 2953 432 C +ATOM 822 C GLU A 107 2.382 19.177 1.275 1.00 81.77 C +ANISOU 822 C GLU A 107 13608 6595 10864 -3329 2773 157 C +ATOM 823 O GLU A 107 2.261 18.660 0.164 1.00 82.00 O +ANISOU 823 O GLU A 107 13688 6541 10928 -3500 2778 -91 O +ATOM 824 CB GLU A 107 1.760 18.012 3.398 1.00 94.40 C +ANISOU 824 CB GLU A 107 15493 7897 12476 -3260 3044 534 C +ATOM 825 CG GLU A 107 2.141 17.048 4.507 1.00101.55 C +ANISOU 825 CG GLU A 107 16749 8461 13374 -3038 3233 790 C +ATOM 826 CD GLU A 107 1.041 16.877 5.536 1.00108.63 C +ANISOU 826 CD GLU A 107 17585 9435 14254 -3227 3319 910 C +ATOM 827 OE1 GLU A 107 0.012 17.577 5.430 1.00110.99 O +ANISOU 827 OE1 GLU A 107 17546 10068 14556 -3499 3229 802 O +ATOM 828 OE2 GLU A 107 1.206 16.044 6.452 1.00110.37 O +ANISOU 828 OE2 GLU A 107 18094 9386 14455 -3090 3479 1115 O +ATOM 829 N ILE A 108 2.063 20.443 1.526 1.00 76.30 N +ANISOU 829 N ILE A 108 12589 6289 10112 -3352 2610 206 N +ATOM 830 CA ILE A 108 1.524 21.322 0.495 1.00 75.42 C +ANISOU 830 CA ILE A 108 12147 6535 9974 -3568 2412 -19 C +ATOM 831 C ILE A 108 2.501 21.509 -0.664 1.00 80.21 C +ANISOU 831 C ILE A 108 12821 7097 10559 -3478 2339 -181 C +ATOM 832 O ILE A 108 2.112 21.437 -1.830 1.00 79.64 O +ANISOU 832 O ILE A 108 12658 7126 10475 -3689 2256 -434 O +ATOM 833 CB ILE A 108 1.155 22.699 1.084 1.00 69.16 C +ANISOU 833 CB ILE A 108 11016 6143 9118 -3539 2261 97 C +ATOM 834 CG1 ILE A 108 0.018 22.548 2.096 1.00 69.17 C +ANISOU 834 CG1 ILE A 108 10909 6231 9141 -3670 2333 205 C +ATOM 835 CG2 ILE A 108 0.762 23.672 -0.016 1.00 66.82 C +ANISOU 835 CG2 ILE A 108 10400 6209 8781 -3691 2039 -110 C +ATOM 836 CD1 ILE A 108 -0.383 23.836 2.767 1.00 65.38 C +ANISOU 836 CD1 ILE A 108 10113 6125 8602 -3621 2215 316 C +ATOM 837 N TRP A 109 3.770 21.740 -0.343 1.00 82.04 N +ANISOU 837 N TRP A 109 13130 7290 10750 -3058 2308 -41 N +ATOM 838 CA TRP A 109 4.766 22.022 -1.372 1.00 80.84 C +ANISOU 838 CA TRP A 109 12951 7208 10556 -2868 2197 -187 C +ATOM 839 C TRP A 109 5.224 20.762 -2.101 1.00 85.54 C +ANISOU 839 C TRP A 109 13895 7385 11220 -2899 2381 -340 C +ATOM 840 O TRP A 109 5.701 20.838 -3.233 1.00 89.21 O +ANISOU 840 O TRP A 109 14349 7895 11653 -2893 2323 -547 O +ATOM 841 CB TRP A 109 5.969 22.754 -0.776 1.00 78.66 C +ANISOU 841 CB TRP A 109 12578 7093 10215 -2408 2088 -6 C +ATOM 842 CG TRP A 109 5.872 24.237 -0.948 1.00 77.29 C +ANISOU 842 CG TRP A 109 12033 7384 9951 -2384 1850 -20 C +ATOM 843 CD1 TRP A 109 5.647 25.166 0.025 1.00 75.90 C +ANISOU 843 CD1 TRP A 109 11648 7466 9726 -2287 1750 153 C +ATOM 844 CD2 TRP A 109 5.973 24.961 -2.180 1.00 77.15 C +ANISOU 844 CD2 TRP A 109 11835 7605 9872 -2463 1695 -220 C +ATOM 845 NE1 TRP A 109 5.613 26.426 -0.523 1.00 73.89 N +ANISOU 845 NE1 TRP A 109 11102 7573 9399 -2294 1548 73 N +ATOM 846 CE2 TRP A 109 5.810 26.327 -1.876 1.00 74.37 C +ANISOU 846 CE2 TRP A 109 11179 7631 9447 -2399 1509 -142 C +ATOM 847 CE3 TRP A 109 6.191 24.587 -3.510 1.00 79.65 C +ANISOU 847 CE3 TRP A 109 12240 7848 10177 -2581 1706 -456 C +ATOM 848 CZ2 TRP A 109 5.858 27.320 -2.853 1.00 72.95 C +ANISOU 848 CZ2 TRP A 109 10796 7736 9187 -2440 1337 -271 C +ATOM 849 CZ3 TRP A 109 6.238 25.574 -4.478 1.00 78.76 C +ANISOU 849 CZ3 TRP A 109 11913 8046 9965 -2628 1528 -585 C +ATOM 850 CH2 TRP A 109 6.073 26.924 -4.144 1.00 74.71 C +ANISOU 850 CH2 TRP A 109 11113 7889 9385 -2554 1346 -482 C +ATOM 851 N LYS A 110 5.082 19.608 -1.456 1.00 86.57 N +ANISOU 851 N LYS A 110 14357 7096 11440 -2930 2617 -240 N +ATOM 852 CA LYS A 110 5.374 18.341 -2.116 1.00 88.67 C +ANISOU 852 CA LYS A 110 14965 6945 11779 -2972 2806 -396 C +ATOM 853 C LYS A 110 4.374 18.101 -3.238 1.00 91.20 C +ANISOU 853 C LYS A 110 15158 7415 12080 -3373 2745 -700 C +ATOM 854 O LYS A 110 4.690 17.461 -4.241 1.00 94.04 O +ANISOU 854 O LYS A 110 15670 7618 12443 -3414 2805 -919 O +ATOM 855 CB LYS A 110 5.340 17.178 -1.123 1.00 89.99 C +ANISOU 855 CB LYS A 110 15429 6752 12011 -2847 3010 -200 C +ATOM 856 CG LYS A 110 6.621 16.988 -0.327 1.00 88.55 C +ANISOU 856 CG LYS A 110 15483 6318 11843 -2358 3098 58 C +ATOM 857 CD LYS A 110 6.588 15.686 0.457 1.00 89.03 C +ANISOU 857 CD LYS A 110 15869 6006 11953 -2237 3298 220 C +ATOM 858 CE LYS A 110 5.925 15.871 1.813 1.00 87.54 C +ANISOU 858 CE LYS A 110 15620 5924 11719 -2261 3299 490 C +ATOM 859 NZ LYS A 110 6.390 14.859 2.799 1.00 90.99 N +ANISOU 859 NZ LYS A 110 16392 6017 12164 -1959 3461 744 N +ATOM 860 N GLU A 111 3.165 18.621 -3.057 1.00 90.87 N +ANISOU 860 N GLU A 111 14827 7691 12009 -3648 2626 -709 N +ATOM 861 CA GLU A 111 2.113 18.483 -4.054 1.00 92.22 C +ANISOU 861 CA GLU A 111 14832 8061 12147 -4010 2539 -973 C +ATOM 862 C GLU A 111 2.250 19.558 -5.130 1.00 87.77 C +ANISOU 862 C GLU A 111 14017 7856 11477 -4055 2312 -1139 C +ATOM 863 O GLU A 111 1.987 19.312 -6.307 1.00 88.69 O +ANISOU 863 O GLU A 111 14113 8049 11536 -4236 2256 -1389 O +ATOM 864 CB GLU A 111 0.736 18.563 -3.389 1.00 95.15 C +ANISOU 864 CB GLU A 111 14986 8627 12540 -4253 2512 -910 C +ATOM 865 CG GLU A 111 -0.437 18.402 -4.343 1.00103.07 C +ANISOU 865 CG GLU A 111 15796 9852 13514 -4615 2418 -1168 C +ATOM 866 CD GLU A 111 -0.478 17.031 -4.995 1.00115.43 C +ANISOU 866 CD GLU A 111 17648 11095 15114 -4769 2587 -1357 C +ATOM 867 OE1 GLU A 111 0.074 16.072 -4.413 1.00119.92 O +ANISOU 867 OE1 GLU A 111 18557 11250 15759 -4633 2809 -1249 O +ATOM 868 OE2 GLU A 111 -1.064 16.912 -6.091 1.00119.92 O +ANISOU 868 OE2 GLU A 111 18109 11829 15627 -5015 2497 -1608 O +ATOM 869 N LEU A 112 2.667 20.752 -4.716 1.00 84.74 N +ANISOU 869 N LEU A 112 13450 7695 11053 -3887 2183 -994 N +ATOM 870 CA LEU A 112 2.893 21.854 -5.647 1.00 86.47 C +ANISOU 870 CA LEU A 112 13447 8246 11160 -3900 1972 -1118 C +ATOM 871 C LEU A 112 4.073 21.579 -6.574 1.00 88.31 C +ANISOU 871 C LEU A 112 13886 8313 11353 -3741 2019 -1265 C +ATOM 872 O LEU A 112 4.071 21.993 -7.733 1.00 87.42 O +ANISOU 872 O LEU A 112 13675 8411 11131 -3848 1888 -1466 O +ATOM 873 CB LEU A 112 3.128 23.162 -4.887 1.00 83.89 C +ANISOU 873 CB LEU A 112 12854 8232 10789 -3657 1814 -896 C +ATOM 874 CG LEU A 112 1.906 23.833 -4.258 1.00 83.37 C +ANISOU 874 CG LEU A 112 12502 8446 10729 -3846 1719 -808 C +ATOM 875 CD1 LEU A 112 2.334 24.918 -3.279 1.00 79.93 C +ANISOU 875 CD1 LEU A 112 11880 8232 10259 -3515 1616 -561 C +ATOM 876 CD2 LEU A 112 0.996 24.406 -5.335 1.00 80.90 C +ANISOU 876 CD2 LEU A 112 11923 8484 10333 -4095 1515 -1007 C +ATOM 877 N SER A 113 5.079 20.885 -6.048 1.00 88.91 N +ANISOU 877 N SER A 113 14226 8050 11505 -3437 2194 -1151 N +ATOM 878 CA SER A 113 6.305 20.601 -6.791 1.00 86.55 C +ANISOU 878 CA SER A 113 14088 7618 11180 -3188 2251 -1262 C +ATOM 879 C SER A 113 6.052 19.825 -8.079 1.00 86.54 C +ANISOU 879 C SER A 113 14280 7446 11155 -3488 2339 -1593 C +ATOM 880 O SER A 113 6.813 19.940 -9.036 1.00 86.77 O +ANISOU 880 O SER A 113 14339 7527 11104 -3379 2321 -1753 O +ATOM 881 CB SER A 113 7.289 19.831 -5.911 1.00 89.03 C +ANISOU 881 CB SER A 113 14661 7568 11599 -2812 2440 -1075 C +ATOM 882 OG SER A 113 7.788 20.656 -4.873 1.00 90.65 O +ANISOU 882 OG SER A 113 14670 7989 11783 -2484 2328 -800 O +ATOM 883 N LYS A 114 4.987 19.031 -8.095 1.00 87.43 N +ANISOU 883 N LYS A 114 14422 7499 11298 -3753 2386 -1654 N +ATOM 884 CA LYS A 114 4.675 18.199 -9.251 1.00 90.07 C +ANISOU 884 CA LYS A 114 14865 7776 11582 -3958 2432 -1925 C +ATOM 885 C LYS A 114 4.477 19.044 -10.512 1.00 90.14 C +ANISOU 885 C LYS A 114 14649 8186 11415 -4106 2215 -2125 C +ATOM 886 O LYS A 114 4.868 18.638 -11.606 1.00 93.86 O +ANISOU 886 O LYS A 114 15243 8612 11806 -4133 2254 -2341 O +ATOM 887 CB LYS A 114 3.436 17.344 -8.977 1.00 93.43 C +ANISOU 887 CB LYS A 114 15304 8132 12065 -4244 2495 -1947 C +ATOM 888 CG LYS A 114 3.617 16.356 -7.829 1.00 96.81 C +ANISOU 888 CG LYS A 114 16005 8136 12643 -4110 2731 -1757 C +ATOM 889 CD LYS A 114 2.618 15.211 -7.917 1.00105.05 C +ANISOU 889 CD LYS A 114 17161 9020 13733 -4408 2855 -1867 C +ATOM 890 CE LYS A 114 2.791 14.215 -6.774 1.00109.84 C +ANISOU 890 CE LYS A 114 18063 9200 14471 -4271 3096 -1663 C +ATOM 891 NZ LYS A 114 2.148 14.674 -5.510 1.00109.72 N +ANISOU 891 NZ LYS A 114 17887 9307 14493 -4285 3059 -1411 N +ATOM 892 N ASP A 115 3.868 20.215 -10.352 1.00 86.93 N +ANISOU 892 N ASP A 115 13918 8174 10938 -4184 1990 -2041 N +ATOM 893 CA ASP A 115 3.640 21.115 -11.479 1.00 87.92 C +ANISOU 893 CA ASP A 115 13823 8702 10880 -4290 1763 -2184 C +ATOM 894 C ASP A 115 4.636 22.274 -11.514 1.00 83.78 C +ANISOU 894 C ASP A 115 13221 8329 10282 -4062 1670 -2109 C +ATOM 895 O ASP A 115 5.159 22.621 -12.573 1.00 85.18 O +ANISOU 895 O ASP A 115 13408 8642 10313 -4036 1609 -2257 O +ATOM 896 CB ASP A 115 2.213 21.668 -11.436 1.00 93.38 C +ANISOU 896 CB ASP A 115 14192 9761 11527 -4521 1559 -2158 C +ATOM 897 CG ASP A 115 1.163 20.574 -11.442 1.00102.89 C +ANISOU 897 CG ASP A 115 15444 10853 12798 -4780 1646 -2257 C +ATOM 898 OD1 ASP A 115 1.340 19.580 -12.177 1.00106.87 O +ANISOU 898 OD1 ASP A 115 16172 11149 13285 -4872 1771 -2446 O +ATOM 899 OD2 ASP A 115 0.157 20.711 -10.713 1.00105.78 O +ANISOU 899 OD2 ASP A 115 15619 11340 13231 -4897 1599 -2153 O +ATOM 900 N LEU A 116 4.895 22.868 -10.353 1.00 77.41 N +ANISOU 900 N LEU A 116 12318 7531 9563 -3869 1659 -1861 N +ATOM 901 CA LEU A 116 5.656 24.114 -10.275 1.00 75.86 C +ANISOU 901 CA LEU A 116 11911 7630 9284 -3557 1510 -1708 C +ATOM 902 C LEU A 116 7.159 23.931 -10.484 1.00 79.37 C +ANISOU 902 C LEU A 116 12507 7923 9728 -3220 1630 -1713 C +ATOM 903 O LEU A 116 7.824 24.813 -11.028 1.00 79.48 O +ANISOU 903 O LEU A 116 12394 8180 9625 -3071 1529 -1718 O +ATOM 904 CB LEU A 116 5.406 24.803 -8.930 1.00 71.64 C +ANISOU 904 CB LEU A 116 11176 7217 8827 -3401 1441 -1422 C +ATOM 905 CG LEU A 116 4.245 25.801 -8.856 1.00 69.81 C +ANISOU 905 CG LEU A 116 10637 7351 8536 -3582 1228 -1372 C +ATOM 906 CD1 LEU A 116 2.915 25.154 -9.219 1.00 75.76 C +ANISOU 906 CD1 LEU A 116 11389 8090 9306 -4002 1229 -1540 C +ATOM 907 CD2 LEU A 116 4.172 26.436 -7.475 1.00 68.95 C +ANISOU 907 CD2 LEU A 116 10369 7326 8504 -3387 1201 -1100 C +ATOM 908 N GLN A 117 7.693 22.794 -10.050 1.00 81.29 N +ANISOU 908 N GLN A 117 13017 7767 10102 -3094 1854 -1708 N +ATOM 909 CA GLN A 117 9.124 22.524 -10.187 1.00 83.89 C +ANISOU 909 CA GLN A 117 13474 7949 10453 -2742 1983 -1714 C +ATOM 910 C GLN A 117 9.550 22.333 -11.651 1.00 90.00 C +ANISOU 910 C GLN A 117 14357 8735 11105 -2833 2028 -2002 C +ATOM 911 O GLN A 117 10.575 22.881 -12.060 1.00 87.93 O +ANISOU 911 O GLN A 117 14015 8623 10772 -2600 2015 -2013 O +ATOM 912 CB GLN A 117 9.522 21.308 -9.339 1.00 83.90 C +ANISOU 912 CB GLN A 117 13751 7500 10626 -2559 2212 -1621 C +ATOM 913 CG GLN A 117 11.020 21.068 -9.208 1.00 85.37 C +ANISOU 913 CG GLN A 117 14018 7560 10860 -2116 2329 -1571 C +ATOM 914 CD GLN A 117 11.578 20.191 -10.311 1.00 90.62 C +ANISOU 914 CD GLN A 117 14937 7977 11519 -2121 2513 -1844 C +ATOM 915 OE1 GLN A 117 10.831 19.591 -11.084 1.00 94.67 O +ANISOU 915 OE1 GLN A 117 15624 8345 12002 -2468 2576 -2072 O +ATOM 916 NE2 GLN A 117 12.901 20.101 -10.380 1.00 90.40 N +ANISOU 916 NE2 GLN A 117 14923 7907 11518 -1738 2605 -1837 N +ATOM 917 N PRO A 118 8.787 21.552 -12.447 1.00 94.35 N +ANISOU 917 N PRO A 118 15092 9135 11621 -3184 2091 -2249 N +ATOM 918 CA PRO A 118 9.168 21.510 -13.865 1.00 94.06 C +ANISOU 918 CA PRO A 118 15144 9170 11425 -3279 2112 -2527 C +ATOM 919 C PRO A 118 8.984 22.859 -14.559 1.00 90.93 C +ANISOU 919 C PRO A 118 14475 9254 10820 -3353 1866 -2525 C +ATOM 920 O PRO A 118 9.775 23.209 -15.434 1.00 92.33 O +ANISOU 920 O PRO A 118 14662 9556 10862 -3254 1881 -2635 O +ATOM 921 CB PRO A 118 8.215 20.463 -14.454 1.00 96.47 C +ANISOU 921 CB PRO A 118 15611 9321 11723 -3616 2171 -2726 C +ATOM 922 CG PRO A 118 7.821 19.619 -13.297 1.00 98.70 C +ANISOU 922 CG PRO A 118 16014 9275 12212 -3604 2301 -2577 C +ATOM 923 CD PRO A 118 7.729 20.569 -12.147 1.00 95.95 C +ANISOU 923 CD PRO A 118 15468 9064 11926 -3497 2186 -2316 C +ATOM 924 N LEU A 119 7.947 23.596 -14.171 1.00 86.96 N +ANISOU 924 N LEU A 119 13743 9008 10291 -3518 1657 -2399 N +ATOM 925 CA LEU A 119 7.682 24.915 -14.737 1.00 78.34 C +ANISOU 925 CA LEU A 119 12404 8351 9010 -3564 1417 -2360 C +ATOM 926 C LEU A 119 8.835 25.876 -14.461 1.00 76.79 C +ANISOU 926 C LEU A 119 12076 8303 8798 -3208 1400 -2184 C +ATOM 927 O LEU A 119 9.225 26.659 -15.328 1.00 79.06 O +ANISOU 927 O LEU A 119 12301 8830 8907 -3190 1321 -2235 O +ATOM 928 CB LEU A 119 6.377 25.488 -14.180 1.00 69.45 C +ANISOU 928 CB LEU A 119 11045 7441 7900 -3747 1218 -2231 C +ATOM 929 CG LEU A 119 5.938 26.837 -14.756 1.00 65.29 C +ANISOU 929 CG LEU A 119 10276 7349 7184 -3791 958 -2179 C +ATOM 930 CD1 LEU A 119 5.512 26.688 -16.208 1.00 61.43 C +ANISOU 930 CD1 LEU A 119 9850 7013 6476 -4034 875 -2419 C +ATOM 931 CD2 LEU A 119 4.820 27.446 -13.923 1.00 63.96 C +ANISOU 931 CD2 LEU A 119 9853 7367 7082 -3865 794 -2004 C +ATOM 932 N ALA A 120 9.375 25.812 -13.248 1.00 72.51 N +ANISOU 932 N ALA A 120 11495 7624 8430 -2940 1476 -1979 N +ATOM 933 CA ALA A 120 10.486 26.671 -12.855 1.00 68.67 C +ANISOU 933 CA ALA A 120 10864 7280 7947 -2616 1463 -1823 C +ATOM 934 C ALA A 120 11.782 26.241 -13.536 1.00 71.08 C +ANISOU 934 C ALA A 120 11307 7474 8227 -2434 1641 -1968 C +ATOM 935 O ALA A 120 12.622 27.077 -13.868 1.00 69.50 O +ANISOU 935 O ALA A 120 10984 7480 7941 -2289 1619 -1946 O +ATOM 936 CB ALA A 120 10.653 26.664 -11.343 1.00 64.42 C +ANISOU 936 CB ALA A 120 10246 6649 7583 -2391 1480 -1577 C +ATOM 937 N LYS A 121 11.938 24.936 -13.741 1.00 75.96 N +ANISOU 937 N LYS A 121 12180 7756 8925 -2448 1835 -2122 N +ATOM 938 CA LYS A 121 13.122 24.410 -14.410 1.00 79.49 C +ANISOU 938 CA LYS A 121 12770 8072 9361 -2266 2032 -2286 C +ATOM 939 C LYS A 121 13.117 24.823 -15.874 1.00 81.90 C +ANISOU 939 C LYS A 121 13101 8584 9433 -2468 2001 -2506 C +ATOM 940 O LYS A 121 14.150 25.190 -16.433 1.00 82.58 O +ANISOU 940 O LYS A 121 13150 8785 9441 -2311 2080 -2568 O +ATOM 941 CB LYS A 121 13.190 22.885 -14.302 1.00 84.03 C +ANISOU 941 CB LYS A 121 13650 8199 10078 -2239 2259 -2408 C +ATOM 942 CG LYS A 121 14.566 22.317 -14.621 1.00 87.19 C +ANISOU 942 CG LYS A 121 14165 8433 10529 -1926 2483 -2515 C +ATOM 943 CD LYS A 121 14.550 20.798 -14.696 1.00 93.70 C +ANISOU 943 CD LYS A 121 15340 8782 11479 -1922 2722 -2669 C +ATOM 944 CE LYS A 121 14.080 20.171 -13.398 1.00 95.38 C +ANISOU 944 CE LYS A 121 15642 8713 11884 -1849 2746 -2456 C +ATOM 945 NZ LYS A 121 14.048 18.683 -13.484 1.00 96.76 N +ANISOU 945 NZ LYS A 121 16200 8379 12184 -1856 3000 -2599 N +ATOM 946 N LYS A 122 11.938 24.763 -16.485 1.00 84.19 N +ANISOU 946 N LYS A 122 13447 8938 9602 -2823 1886 -2624 N +ATOM 947 CA LYS A 122 11.772 25.131 -17.885 1.00 84.35 C +ANISOU 947 CA LYS A 122 13511 9174 9363 -3041 1827 -2827 C +ATOM 948 C LYS A 122 12.040 26.615 -18.114 1.00 82.72 C +ANISOU 948 C LYS A 122 13075 9351 9003 -2971 1662 -2679 C +ATOM 949 O LYS A 122 12.707 26.991 -19.077 1.00 86.29 O +ANISOU 949 O LYS A 122 13565 9943 9278 -2955 1716 -2789 O +ATOM 950 CB LYS A 122 10.359 24.776 -18.355 1.00 87.77 C +ANISOU 950 CB LYS A 122 14012 9633 9702 -3435 1699 -2966 C +ATOM 951 CG LYS A 122 9.946 25.428 -19.663 1.00 89.23 C +ANISOU 951 CG LYS A 122 14130 10169 9606 -3610 1531 -3046 C +ATOM 952 CD LYS A 122 8.769 24.702 -20.292 1.00 92.20 C +ANISOU 952 CD LYS A 122 14528 10568 9934 -3876 1445 -3151 C +ATOM 953 CE LYS A 122 8.762 24.863 -21.802 1.00 95.98 C +ANISOU 953 CE LYS A 122 15044 11275 10150 -3976 1385 -3287 C +ATOM 954 NZ LYS A 122 7.624 24.136 -22.429 1.00100.36 N +ANISOU 954 NZ LYS A 122 15615 11866 10650 -4238 1298 -3416 N +ATOM 955 N PHE A 123 11.527 27.452 -17.219 1.00 76.55 N +ANISOU 955 N PHE A 123 12074 8723 8289 -2931 1482 -2433 N +ATOM 956 CA PHE A 123 11.699 28.894 -17.341 1.00 71.70 C +ANISOU 956 CA PHE A 123 11262 8434 7548 -2869 1330 -2278 C +ATOM 957 C PHE A 123 13.149 29.309 -17.106 1.00 76.12 C +ANISOU 957 C PHE A 123 11751 9013 8158 -2578 1467 -2211 C +ATOM 958 O PHE A 123 13.637 30.260 -17.716 1.00 80.31 O +ANISOU 958 O PHE A 123 12217 9765 8533 -2564 1441 -2193 O +ATOM 959 CB PHE A 123 10.778 29.629 -16.367 1.00 66.20 C +ANISOU 959 CB PHE A 123 10358 7864 6931 -2886 1127 -2046 C +ATOM 960 CG PHE A 123 10.871 31.126 -16.457 1.00 66.31 C +ANISOU 960 CG PHE A 123 10196 8174 6826 -2824 976 -1884 C +ATOM 961 CD1 PHE A 123 10.309 31.804 -17.527 1.00 66.51 C +ANISOU 961 CD1 PHE A 123 10229 8432 6608 -2998 830 -1930 C +ATOM 962 CD2 PHE A 123 11.517 31.855 -15.473 1.00 67.15 C +ANISOU 962 CD2 PHE A 123 10143 8319 7052 -2594 981 -1687 C +ATOM 963 CE1 PHE A 123 10.391 33.181 -17.614 1.00 64.98 C +ANISOU 963 CE1 PHE A 123 9912 8470 6307 -2932 708 -1766 C +ATOM 964 CE2 PHE A 123 11.602 33.233 -15.554 1.00 64.65 C +ANISOU 964 CE2 PHE A 123 9693 8237 6634 -2555 864 -1550 C +ATOM 965 CZ PHE A 123 11.039 33.896 -16.626 1.00 64.94 C +ANISOU 965 CZ PHE A 123 9763 8470 6442 -2718 736 -1582 C +ATOM 966 N TRP A 124 13.831 28.593 -16.218 1.00 76.43 N +ANISOU 966 N TRP A 124 11802 8825 8412 -2349 1614 -2170 N +ATOM 967 CA TRP A 124 15.227 28.887 -15.908 1.00 77.76 C +ANISOU 967 CA TRP A 124 11866 9030 8649 -2059 1739 -2119 C +ATOM 968 C TRP A 124 16.169 28.500 -17.043 1.00 85.42 C +ANISOU 968 C TRP A 124 12963 9979 9513 -2030 1939 -2348 C +ATOM 969 O TRP A 124 17.170 29.171 -17.283 1.00 89.27 O +ANISOU 969 O TRP A 124 13331 10635 9951 -1904 2006 -2341 O +ATOM 970 CB TRP A 124 15.652 28.171 -14.626 1.00 77.19 C +ANISOU 970 CB TRP A 124 11771 8737 8821 -1796 1820 -2002 C +ATOM 971 CG TRP A 124 17.115 28.303 -14.337 1.00 80.10 C +ANISOU 971 CG TRP A 124 12018 9151 9265 -1484 1948 -1981 C +ATOM 972 CD1 TRP A 124 17.757 29.399 -13.839 1.00 82.03 C +ANISOU 972 CD1 TRP A 124 12014 9642 9510 -1354 1876 -1841 C +ATOM 973 CD2 TRP A 124 18.124 27.309 -14.549 1.00 83.95 C +ANISOU 973 CD2 TRP A 124 12611 9448 9840 -1264 2175 -2121 C +ATOM 974 NE1 TRP A 124 19.102 29.145 -13.718 1.00 83.67 N +ANISOU 974 NE1 TRP A 124 12139 9852 9799 -1080 2032 -1888 N +ATOM 975 CE2 TRP A 124 19.353 27.869 -14.149 1.00 83.92 C +ANISOU 975 CE2 TRP A 124 12379 9620 9888 -1000 2216 -2053 C +ATOM 976 CE3 TRP A 124 18.107 25.998 -15.036 1.00 87.32 C +ANISOU 976 CE3 TRP A 124 13302 9565 10310 -1264 2354 -2307 C +ATOM 977 CZ2 TRP A 124 20.553 27.164 -14.218 1.00 86.22 C +ANISOU 977 CZ2 TRP A 124 12668 9815 10275 -714 2420 -2156 C +ATOM 978 CZ3 TRP A 124 19.300 25.299 -15.104 1.00 89.69 C +ANISOU 978 CZ3 TRP A 124 13636 9735 10709 -967 2569 -2404 C +ATOM 979 CH2 TRP A 124 20.505 25.884 -14.698 1.00 89.34 C +ANISOU 979 CH2 TRP A 124 13331 9898 10717 -684 2595 -2324 C +ATOM 980 N GLU A 125 15.851 27.415 -17.739 1.00 87.42 N +ANISOU 980 N GLU A 125 13459 10024 9732 -2160 2050 -2564 N +ATOM 981 CA GLU A 125 16.672 26.971 -18.859 1.00 90.03 C +ANISOU 981 CA GLU A 125 13937 10321 9950 -2145 2259 -2811 C +ATOM 982 C GLU A 125 16.509 27.914 -20.045 1.00 89.67 C +ANISOU 982 C GLU A 125 13889 10573 9609 -2363 2179 -2880 C +ATOM 983 O GLU A 125 17.425 28.081 -20.851 1.00 93.10 O +ANISOU 983 O GLU A 125 14351 11100 9922 -2313 2337 -3008 O +ATOM 984 CB GLU A 125 16.315 25.536 -19.256 1.00 92.18 C +ANISOU 984 CB GLU A 125 14500 10263 10262 -2243 2406 -3041 C +ATOM 985 CG GLU A 125 16.749 24.494 -18.235 1.00 94.06 C +ANISOU 985 CG GLU A 125 14801 10157 10779 -1972 2555 -2988 C +ATOM 986 CD GLU A 125 16.076 23.151 -18.442 1.00 99.82 C +ANISOU 986 CD GLU A 125 15838 10522 11568 -2130 2666 -3172 C +ATOM 987 OE1 GLU A 125 15.090 23.088 -19.205 1.00104.01 O +ANISOU 987 OE1 GLU A 125 16485 11100 11935 -2486 2577 -3320 O +ATOM 988 OE2 GLU A 125 16.533 22.157 -17.839 1.00100.91 O +ANISOU 988 OE2 GLU A 125 16105 10324 11911 -1900 2842 -3169 O +ATOM 989 N GLU A 126 15.334 28.526 -20.142 1.00 84.23 N +ANISOU 989 N GLU A 126 13167 10038 8799 -2594 1938 -2790 N +ATOM 990 CA GLU A 126 15.056 29.511 -21.180 1.00 82.54 C +ANISOU 990 CA GLU A 126 12955 10116 8291 -2780 1822 -2801 C +ATOM 991 C GLU A 126 15.746 30.849 -20.921 1.00 82.46 C +ANISOU 991 C GLU A 126 12744 10331 8255 -2644 1788 -2601 C +ATOM 992 O GLU A 126 16.500 31.340 -21.762 1.00 88.41 O +ANISOU 992 O GLU A 126 13530 11226 8836 -2650 1899 -2669 O +ATOM 993 CB GLU A 126 13.548 29.730 -21.306 1.00 83.63 C +ANISOU 993 CB GLU A 126 13098 10357 8322 -3035 1559 -2756 C +ATOM 994 CG GLU A 126 12.790 28.546 -21.876 1.00 92.90 C +ANISOU 994 CG GLU A 126 14466 11375 9455 -3251 1575 -2984 C +ATOM 995 CD GLU A 126 11.291 28.765 -21.869 1.00 99.35 C +ANISOU 995 CD GLU A 126 15192 12333 10224 -3463 1298 -2895 C +ATOM 996 OE1 GLU A 126 10.540 27.768 -21.831 1.00103.77 O +ANISOU 996 OE1 GLU A 126 15812 12739 10875 -3597 1292 -2991 O +ATOM 997 OE2 GLU A 126 10.864 29.937 -21.908 1.00 98.42 O +ANISOU 997 OE2 GLU A 126 14933 12482 9980 -3485 1096 -2728 O +ATOM 998 N THR A 127 15.487 31.433 -19.755 1.00 76.73 N +ANISOU 998 N THR A 127 11822 9634 7697 -2539 1649 -2365 N +ATOM 999 CA THR A 127 15.858 32.821 -19.494 1.00 72.70 C +ANISOU 999 CA THR A 127 11136 9339 7148 -2472 1574 -2172 C +ATOM 1000 C THR A 127 17.031 32.973 -18.526 1.00 69.81 C +ANISOU 1000 C THR A 127 10589 8943 6992 -2211 1698 -2088 C +ATOM 1001 O THR A 127 17.660 34.029 -18.467 1.00 62.84 O +ANISOU 1001 O THR A 127 9577 8229 6072 -2166 1708 -1992 O +ATOM 1002 CB THR A 127 14.662 33.613 -18.932 1.00 70.33 C +ANISOU 1002 CB THR A 127 10732 9142 6849 -2555 1308 -1967 C +ATOM 1003 OG1 THR A 127 14.313 33.099 -17.640 1.00 72.73 O +ANISOU 1003 OG1 THR A 127 10938 9292 7404 -2448 1265 -1871 O +ATOM 1004 CG2 THR A 127 13.462 33.497 -19.860 1.00 69.05 C +ANISOU 1004 CG2 THR A 127 10702 9057 6475 -2802 1154 -2046 C +ATOM 1005 N GLY A 128 17.323 31.920 -17.770 1.00 72.27 N +ANISOU 1005 N GLY A 128 10896 9043 7519 -2044 1790 -2124 N +ATOM 1006 CA GLY A 128 18.378 31.978 -16.774 1.00 71.27 C +ANISOU 1006 CA GLY A 128 10583 8908 7589 -1773 1875 -2039 C +ATOM 1007 C GLY A 128 17.930 32.648 -15.489 1.00 68.48 C +ANISOU 1007 C GLY A 128 10053 8608 7357 -1709 1693 -1802 C +ATOM 1008 O GLY A 128 18.729 32.860 -14.577 1.00 68.47 O +ANISOU 1008 O GLY A 128 9874 8647 7493 -1501 1720 -1713 O +ATOM 1009 N ILE A 129 16.645 32.981 -15.417 1.00 67.98 N +ANISOU 1009 N ILE A 129 10028 8566 7236 -1886 1505 -1710 N +ATOM 1010 CA ILE A 129 16.089 33.655 -14.250 1.00 64.99 C +ANISOU 1010 CA ILE A 129 9495 8242 6955 -1844 1339 -1497 C +ATOM 1011 C ILE A 129 15.601 32.663 -13.201 1.00 65.17 C +ANISOU 1011 C ILE A 129 9542 8058 7161 -1755 1325 -1439 C +ATOM 1012 O ILE A 129 14.752 31.817 -13.480 1.00 64.32 O +ANISOU 1012 O ILE A 129 9585 7801 7051 -1889 1318 -1514 O +ATOM 1013 CB ILE A 129 14.918 34.577 -14.635 1.00 62.05 C +ANISOU 1013 CB ILE A 129 9127 8011 6439 -2050 1146 -1414 C +ATOM 1014 CG1 ILE A 129 15.369 35.611 -15.668 1.00 58.86 C +ANISOU 1014 CG1 ILE A 129 8739 7792 5833 -2134 1163 -1438 C +ATOM 1015 CG2 ILE A 129 14.354 35.264 -13.400 1.00 58.27 C +ANISOU 1015 CG2 ILE A 129 8490 7581 6070 -1990 998 -1209 C +ATOM 1016 CD1 ILE A 129 14.250 36.496 -16.168 1.00 55.44 C +ANISOU 1016 CD1 ILE A 129 8336 7494 5236 -2301 972 -1348 C +ATOM 1017 N GLU A 130 16.147 32.770 -11.995 1.00 63.66 N +ANISOU 1017 N GLU A 130 9209 7864 7116 -1542 1326 -1308 N +ATOM 1018 CA GLU A 130 15.719 31.923 -10.891 1.00 60.85 C +ANISOU 1018 CA GLU A 130 8885 7319 6915 -1441 1316 -1214 C +ATOM 1019 C GLU A 130 14.391 32.400 -10.316 1.00 56.75 C +ANISOU 1019 C GLU A 130 8323 6845 6394 -1590 1145 -1077 C +ATOM 1020 O GLU A 130 14.100 33.595 -10.302 1.00 56.81 O +ANISOU 1020 O GLU A 130 8205 7052 6327 -1658 1022 -996 O +ATOM 1021 CB GLU A 130 16.782 31.894 -9.788 1.00 60.04 C +ANISOU 1021 CB GLU A 130 8643 7231 6937 -1145 1360 -1113 C +ATOM 1022 CG GLU A 130 18.119 31.295 -10.204 1.00 67.94 C +ANISOU 1022 CG GLU A 130 9650 8191 7975 -945 1536 -1243 C +ATOM 1023 CD GLU A 130 18.104 29.776 -10.252 1.00 76.64 C +ANISOU 1023 CD GLU A 130 10966 8982 9172 -847 1675 -1319 C +ATOM 1024 OE1 GLU A 130 17.022 29.174 -10.084 1.00 79.39 O +ANISOU 1024 OE1 GLU A 130 11477 9141 9547 -987 1644 -1291 O +ATOM 1025 OE2 GLU A 130 19.183 29.182 -10.454 1.00 78.86 O +ANISOU 1025 OE2 GLU A 130 11253 9202 9509 -630 1827 -1413 O +ATOM 1026 N ILE A 131 13.590 31.453 -9.842 1.00 55.32 N +ANISOU 1026 N ILE A 131 8251 6467 6301 -1641 1156 -1055 N +ATOM 1027 CA ILE A 131 12.379 31.770 -9.100 1.00 54.34 C +ANISOU 1027 CA ILE A 131 8063 6379 6206 -1754 1025 -921 C +ATOM 1028 C ILE A 131 12.565 31.276 -7.674 1.00 55.19 C +ANISOU 1028 C ILE A 131 8157 6359 6455 -1562 1067 -770 C +ATOM 1029 O ILE A 131 12.513 30.075 -7.416 1.00 60.77 O +ANISOU 1029 O ILE A 131 9026 6813 7249 -1529 1181 -787 O +ATOM 1030 CB ILE A 131 11.126 31.124 -9.723 1.00 54.42 C +ANISOU 1030 CB ILE A 131 8194 6297 6185 -2029 1000 -1023 C +ATOM 1031 CG1 ILE A 131 10.914 31.633 -11.150 1.00 54.72 C +ANISOU 1031 CG1 ILE A 131 8252 6495 6046 -2211 932 -1165 C +ATOM 1032 CG2 ILE A 131 9.899 31.407 -8.869 1.00 54.35 C +ANISOU 1032 CG2 ILE A 131 8084 6340 6227 -2133 886 -887 C +ATOM 1033 CD1 ILE A 131 9.735 30.996 -11.855 1.00 53.87 C +ANISOU 1033 CD1 ILE A 131 8245 6341 5884 -2494 889 -1297 C +ATOM 1034 N ILE A 132 12.795 32.201 -6.748 1.00 50.35 N +ANISOU 1034 N ILE A 132 7371 5910 5851 -1436 982 -621 N +ATOM 1035 CA ILE A 132 13.117 31.813 -5.382 1.00 57.10 C +ANISOU 1035 CA ILE A 132 8210 6685 6802 -1227 1012 -472 C +ATOM 1036 C ILE A 132 11.940 32.016 -4.435 1.00 60.18 C +ANISOU 1036 C ILE A 132 8561 7087 7217 -1324 936 -332 C +ATOM 1037 O ILE A 132 11.185 32.984 -4.545 1.00 61.40 O +ANISOU 1037 O ILE A 132 8597 7414 7317 -1465 822 -312 O +ATOM 1038 CB ILE A 132 14.348 32.588 -4.851 1.00 58.98 C +ANISOU 1038 CB ILE A 132 8277 7106 7028 -997 985 -418 C +ATOM 1039 CG1 ILE A 132 14.053 34.085 -4.738 1.00 59.72 C +ANISOU 1039 CG1 ILE A 132 8194 7448 7047 -1089 852 -371 C +ATOM 1040 CG2 ILE A 132 15.549 32.364 -5.756 1.00 55.60 C +ANISOU 1040 CG2 ILE A 132 7856 6685 6584 -897 1083 -564 C +ATOM 1041 CD1 ILE A 132 15.191 34.882 -4.140 1.00 61.57 C +ANISOU 1041 CD1 ILE A 132 8257 7866 7271 -910 826 -336 C +ATOM 1042 N ALA A 133 11.779 31.070 -3.517 1.00 62.01 N +ANISOU 1042 N ALA A 133 8906 7126 7530 -1240 1014 -233 N +ATOM 1043 CA ALA A 133 10.754 31.163 -2.491 1.00 60.72 C +ANISOU 1043 CA ALA A 133 8715 6967 7390 -1316 979 -92 C +ATOM 1044 C ALA A 133 11.321 31.876 -1.274 1.00 63.35 C +ANISOU 1044 C ALA A 133 8915 7454 7700 -1098 919 60 C +ATOM 1045 O ALA A 133 11.912 31.251 -0.392 1.00 65.33 O +ANISOU 1045 O ALA A 133 9240 7603 7978 -888 977 168 O +ATOM 1046 CB ALA A 133 10.244 29.782 -2.119 1.00 63.18 C +ANISOU 1046 CB ALA A 133 9245 6978 7783 -1368 1115 -55 C +ATOM 1047 N ILE A 134 11.127 33.188 -1.229 1.00 62.38 N +ANISOU 1047 N ILE A 134 8607 7575 7518 -1146 800 68 N +ATOM 1048 CA ILE A 134 11.725 34.019 -0.194 1.00 59.13 C +ANISOU 1048 CA ILE A 134 8061 7338 7069 -970 735 168 C +ATOM 1049 C ILE A 134 10.649 34.541 0.760 1.00 60.23 C +ANISOU 1049 C ILE A 134 8136 7555 7195 -1049 690 279 C +ATOM 1050 O ILE A 134 10.888 34.687 1.961 1.00 60.92 O +ANISOU 1050 O ILE A 134 8194 7698 7255 -908 681 395 O +ATOM 1051 CB ILE A 134 12.522 35.184 -0.827 1.00 51.62 C +ANISOU 1051 CB ILE A 134 6962 6591 6061 -950 663 76 C +ATOM 1052 CG1 ILE A 134 13.032 36.151 0.243 1.00 48.59 C +ANISOU 1052 CG1 ILE A 134 6431 6398 5634 -821 593 151 C +ATOM 1053 CG2 ILE A 134 11.679 35.904 -1.868 1.00 48.63 C +ANISOU 1053 CG2 ILE A 134 6552 6279 5647 -1174 606 -3 C +ATOM 1054 CD1 ILE A 134 13.927 37.245 -0.302 1.00 44.55 C +ANISOU 1054 CD1 ILE A 134 5787 6064 5076 -817 550 56 C +ATOM 1055 N GLY A 135 9.460 34.800 0.222 1.00 56.50 N +ANISOU 1055 N GLY A 135 7636 7098 6732 -1269 662 238 N +ATOM 1056 CA GLY A 135 8.311 35.177 1.027 1.00 51.34 C +ANISOU 1056 CA GLY A 135 6912 6511 6083 -1357 643 325 C +ATOM 1057 C GLY A 135 8.462 36.438 1.858 1.00 50.01 C +ANISOU 1057 C GLY A 135 6600 6542 5860 -1255 569 386 C +ATOM 1058 O GLY A 135 8.690 37.526 1.329 1.00 54.24 O +ANISOU 1058 O GLY A 135 7034 7214 6360 -1262 488 324 O +ATOM 1059 N LYS A 136 8.325 36.277 3.171 1.00 47.83 N +ANISOU 1059 N LYS A 136 6338 6269 5568 -1169 610 506 N +ATOM 1060 CA LYS A 136 8.274 37.396 4.109 1.00 51.99 C +ANISOU 1060 CA LYS A 136 6745 6973 6034 -1098 559 554 C +ATOM 1061 C LYS A 136 9.550 38.234 4.118 1.00 52.04 C +ANISOU 1061 C LYS A 136 6682 7108 5983 -958 487 504 C +ATOM 1062 O LYS A 136 9.534 39.397 4.519 1.00 52.37 O +ANISOU 1062 O LYS A 136 6622 7296 5980 -945 434 490 O +ATOM 1063 CB LYS A 136 7.993 36.881 5.523 1.00 58.54 C +ANISOU 1063 CB LYS A 136 7639 7774 6829 -1027 632 691 C +ATOM 1064 CG LYS A 136 6.549 36.475 5.768 1.00 70.13 C +ANISOU 1064 CG LYS A 136 9119 9183 8344 -1199 714 738 C +ATOM 1065 CD LYS A 136 6.336 36.068 7.218 1.00 78.11 C +ANISOU 1065 CD LYS A 136 10207 10179 9293 -1128 805 883 C +ATOM 1066 CE LYS A 136 4.858 36.018 7.571 1.00 82.54 C +ANISOU 1066 CE LYS A 136 10718 10752 9893 -1311 894 912 C +ATOM 1067 NZ LYS A 136 4.230 34.733 7.154 1.00 86.89 N +ANISOU 1067 NZ LYS A 136 11391 11095 10530 -1484 1007 924 N +ATOM 1068 N SER A 137 10.656 37.641 3.683 1.00 50.06 N +ANISOU 1068 N SER A 137 6481 6801 5737 -859 497 467 N +ATOM 1069 CA SER A 137 11.941 38.328 3.703 1.00 48.14 C +ANISOU 1069 CA SER A 137 6145 6698 5447 -739 442 407 C +ATOM 1070 C SER A 137 12.088 39.312 2.543 1.00 48.82 C +ANISOU 1070 C SER A 137 6159 6853 5537 -855 403 286 C +ATOM 1071 O SER A 137 12.965 40.174 2.561 1.00 48.79 O +ANISOU 1071 O SER A 137 6063 6981 5494 -816 367 225 O +ATOM 1072 CB SER A 137 13.084 37.311 3.671 1.00 54.60 C +ANISOU 1072 CB SER A 137 7019 7451 6276 -568 477 411 C +ATOM 1073 OG SER A 137 14.339 37.945 3.839 1.00 65.38 O +ANISOU 1073 OG SER A 137 8252 8994 7595 -450 422 349 O +ATOM 1074 N SER A 138 11.229 39.180 1.538 1.00 50.32 N +ANISOU 1074 N SER A 138 6398 6960 5763 -1006 411 251 N +ATOM 1075 CA SER A 138 11.331 40.001 0.334 1.00 45.17 C +ANISOU 1075 CA SER A 138 5716 6357 5091 -1109 377 157 C +ATOM 1076 C SER A 138 10.520 41.293 0.405 1.00 46.59 C +ANISOU 1076 C SER A 138 5829 6626 5247 -1182 316 175 C +ATOM 1077 O SER A 138 9.354 41.287 0.800 1.00 54.72 O +ANISOU 1077 O SER A 138 6844 7648 6301 -1228 302 235 O +ATOM 1078 CB SER A 138 10.890 39.200 -0.889 1.00 43.29 C +ANISOU 1078 CB SER A 138 5572 6004 4873 -1225 401 99 C +ATOM 1079 OG SER A 138 10.513 40.057 -1.951 1.00 43.69 O +ANISOU 1079 OG SER A 138 5607 6114 4878 -1343 347 46 O +ATOM 1080 N VAL A 139 11.150 42.397 0.016 1.00 43.55 N +ANISOU 1080 N VAL A 139 5405 6320 4821 -1191 294 121 N +ATOM 1081 CA VAL A 139 10.463 43.680 -0.099 1.00 45.08 C +ANISOU 1081 CA VAL A 139 5571 6562 4994 -1244 249 137 C +ATOM 1082 C VAL A 139 9.601 43.783 -1.373 1.00 43.77 C +ANISOU 1082 C VAL A 139 5452 6365 4814 -1349 206 132 C +ATOM 1083 O VAL A 139 8.471 44.268 -1.300 1.00 38.79 O +ANISOU 1083 O VAL A 139 4788 5756 4195 -1368 157 183 O +ATOM 1084 CB VAL A 139 11.466 44.861 -0.049 1.00 36.01 C +ANISOU 1084 CB VAL A 139 4397 5482 3805 -1235 260 81 C +ATOM 1085 CG1 VAL A 139 10.790 46.169 -0.436 1.00 41.75 C +ANISOU 1085 CG1 VAL A 139 5148 6204 4512 -1287 231 99 C +ATOM 1086 CG2 VAL A 139 12.081 44.967 1.332 1.00 31.60 C +ANISOU 1086 CG2 VAL A 139 3768 4999 3241 -1143 271 79 C +ATOM 1087 N PRO A 140 10.120 43.333 -2.540 1.00 40.96 N +ANISOU 1087 N PRO A 140 5164 5976 4423 -1408 221 68 N +ATOM 1088 CA PRO A 140 9.246 43.324 -3.721 1.00 38.93 C +ANISOU 1088 CA PRO A 140 4955 5713 4123 -1510 163 61 C +ATOM 1089 C PRO A 140 7.942 42.545 -3.528 1.00 45.30 C +ANISOU 1089 C PRO A 140 5728 6506 4979 -1561 121 94 C +ATOM 1090 O PRO A 140 6.910 42.949 -4.066 1.00 48.48 O +ANISOU 1090 O PRO A 140 6100 6964 5357 -1616 37 116 O +ATOM 1091 CB PRO A 140 10.117 42.660 -4.788 1.00 38.39 C +ANISOU 1091 CB PRO A 140 4975 5606 4005 -1561 215 -32 C +ATOM 1092 CG PRO A 140 11.491 43.025 -4.410 1.00 36.97 C +ANISOU 1092 CG PRO A 140 4771 5449 3828 -1489 289 -68 C +ATOM 1093 CD PRO A 140 11.512 43.006 -2.909 1.00 35.99 C +ANISOU 1093 CD PRO A 140 4559 5341 3773 -1385 290 -12 C +ATOM 1094 N VAL A 141 7.994 41.444 -2.783 1.00 43.12 N +ANISOU 1094 N VAL A 141 5455 6159 4769 -1544 183 98 N +ATOM 1095 CA VAL A 141 6.793 40.675 -2.466 1.00 44.05 C +ANISOU 1095 CA VAL A 141 5541 6252 4943 -1621 177 125 C +ATOM 1096 C VAL A 141 5.802 41.519 -1.668 1.00 47.03 C +ANISOU 1096 C VAL A 141 5797 6724 5350 -1589 135 204 C +ATOM 1097 O VAL A 141 4.602 41.514 -1.947 1.00 51.90 O +ANISOU 1097 O VAL A 141 6336 7399 5983 -1672 80 210 O +ATOM 1098 CB VAL A 141 7.133 39.390 -1.679 1.00 41.42 C +ANISOU 1098 CB VAL A 141 5273 5794 4672 -1593 279 140 C +ATOM 1099 CG1 VAL A 141 5.882 38.796 -1.044 1.00 40.31 C +ANISOU 1099 CG1 VAL A 141 5092 5630 4595 -1680 302 189 C +ATOM 1100 CG2 VAL A 141 7.808 38.375 -2.588 1.00 38.69 C +ANISOU 1100 CG2 VAL A 141 5053 5329 4317 -1635 330 48 C +ATOM 1101 N ARG A 142 6.312 42.250 -0.683 1.00 45.95 N +ANISOU 1101 N ARG A 142 5632 6615 5212 -1470 163 249 N +ATOM 1102 CA ARG A 142 5.479 43.117 0.144 1.00 45.15 C +ANISOU 1102 CA ARG A 142 5430 6593 5133 -1419 147 308 C +ATOM 1103 C ARG A 142 4.852 44.233 -0.691 1.00 46.05 C +ANISOU 1103 C ARG A 142 5500 6776 5220 -1421 57 309 C +ATOM 1104 O ARG A 142 3.700 44.609 -0.470 1.00 50.05 O +ANISOU 1104 O ARG A 142 5900 7354 5761 -1410 23 346 O +ATOM 1105 CB ARG A 142 6.296 43.704 1.297 1.00 41.10 C +ANISOU 1105 CB ARG A 142 4920 6094 4601 -1302 196 328 C +ATOM 1106 CG ARG A 142 5.585 44.792 2.085 1.00 41.93 C +ANISOU 1106 CG ARG A 142 4947 6270 4715 -1240 195 362 C +ATOM 1107 CD ARG A 142 4.325 44.276 2.761 1.00 45.24 C +ANISOU 1107 CD ARG A 142 5281 6722 5185 -1268 231 412 C +ATOM 1108 NE ARG A 142 3.711 45.302 3.599 1.00 46.01 N +ANISOU 1108 NE ARG A 142 5303 6889 5289 -1187 253 432 N +ATOM 1109 CZ ARG A 142 2.507 45.197 4.150 1.00 48.52 C +ANISOU 1109 CZ ARG A 142 5512 7268 5654 -1198 294 464 C +ATOM 1110 NH1 ARG A 142 1.777 44.109 3.952 1.00 55.19 N +ANISOU 1110 NH1 ARG A 142 6310 8114 6546 -1311 312 481 N +ATOM 1111 NH2 ARG A 142 2.030 46.184 4.897 1.00 47.50 N +ANISOU 1111 NH2 ARG A 142 5322 7198 5529 -1105 330 468 N +ATOM 1112 N ILE A 143 5.613 44.759 -1.647 1.00 40.60 N +ANISOU 1112 N ILE A 143 4892 6069 4464 -1423 25 276 N +ATOM 1113 CA ILE A 143 5.090 45.760 -2.572 1.00 44.41 C +ANISOU 1113 CA ILE A 143 5378 6598 4897 -1413 -63 299 C +ATOM 1114 C ILE A 143 3.959 45.168 -3.410 1.00 48.80 C +ANISOU 1114 C ILE A 143 5874 7223 5445 -1500 -155 294 C +ATOM 1115 O ILE A 143 2.928 45.809 -3.621 1.00 48.76 O +ANISOU 1115 O ILE A 143 5782 7306 5440 -1457 -241 340 O +ATOM 1116 CB ILE A 143 6.194 46.308 -3.503 1.00 38.49 C +ANISOU 1116 CB ILE A 143 4758 5806 4059 -1428 -54 268 C +ATOM 1117 CG1 ILE A 143 7.160 47.194 -2.717 1.00 36.04 C +ANISOU 1117 CG1 ILE A 143 4478 5459 3758 -1362 23 262 C +ATOM 1118 CG2 ILE A 143 5.591 47.094 -4.659 1.00 35.99 C +ANISOU 1118 CG2 ILE A 143 4486 5528 3661 -1428 -151 311 C +ATOM 1119 CD1 ILE A 143 8.424 47.534 -3.474 1.00 41.81 C +ANISOU 1119 CD1 ILE A 143 5315 6154 4418 -1410 72 210 C +ATOM 1120 N ALA A 144 4.153 43.935 -3.869 1.00 49.37 N +ANISOU 1120 N ALA A 144 5989 7258 5510 -1618 -137 228 N +ATOM 1121 CA ALA A 144 3.122 43.214 -4.609 1.00 44.44 C +ANISOU 1121 CA ALA A 144 5307 6703 4877 -1744 -217 189 C +ATOM 1122 C ALA A 144 1.888 43.017 -3.737 1.00 49.33 C +ANISOU 1122 C ALA A 144 5754 7396 5594 -1757 -219 222 C +ATOM 1123 O ALA A 144 0.756 43.087 -4.217 1.00 51.20 O +ANISOU 1123 O ALA A 144 5862 7763 5827 -1808 -321 216 O +ATOM 1124 CB ALA A 144 3.649 41.873 -5.097 1.00 37.82 C +ANISOU 1124 CB ALA A 144 4574 5768 4026 -1874 -160 92 C +ATOM 1125 N GLU A 145 2.121 42.765 -2.453 1.00 51.90 N +ANISOU 1125 N GLU A 145 6068 7654 5996 -1711 -103 255 N +ATOM 1126 CA GLU A 145 1.041 42.582 -1.493 1.00 48.97 C +ANISOU 1126 CA GLU A 145 5547 7348 5713 -1727 -64 290 C +ATOM 1127 C GLU A 145 0.241 43.870 -1.323 1.00 46.31 C +ANISOU 1127 C GLU A 145 5068 7141 5386 -1600 -131 343 C +ATOM 1128 O GLU A 145 -0.984 43.841 -1.215 1.00 50.31 O +ANISOU 1128 O GLU A 145 5395 7774 5945 -1633 -164 346 O +ATOM 1129 CB GLU A 145 1.598 42.118 -0.146 1.00 45.09 C +ANISOU 1129 CB GLU A 145 5113 6755 5263 -1684 79 329 C +ATOM 1130 CG GLU A 145 0.533 41.808 0.890 1.00 52.97 C +ANISOU 1130 CG GLU A 145 5982 7808 6335 -1723 157 367 C +ATOM 1131 CD GLU A 145 1.080 41.051 2.085 1.00 62.48 C +ANISOU 1131 CD GLU A 145 7289 8900 7550 -1708 299 415 C +ATOM 1132 OE1 GLU A 145 1.788 41.668 2.909 1.00 68.34 O +ANISOU 1132 OE1 GLU A 145 8077 9636 8254 -1564 332 456 O +ATOM 1133 OE2 GLU A 145 0.799 39.839 2.201 1.00 66.28 O +ANISOU 1133 OE2 GLU A 145 7816 9298 8071 -1843 378 411 O +ATOM 1134 N ILE A 146 0.944 44.998 -1.296 1.00 42.46 N +ANISOU 1134 N ILE A 146 4661 6619 4854 -1456 -142 378 N +ATOM 1135 CA ILE A 146 0.302 46.303 -1.181 1.00 45.59 C +ANISOU 1135 CA ILE A 146 4971 7091 5260 -1308 -191 431 C +ATOM 1136 C ILE A 146 -0.581 46.598 -2.393 1.00 45.28 C +ANISOU 1136 C ILE A 146 4848 7175 5180 -1306 -347 442 C +ATOM 1137 O ILE A 146 -1.711 47.067 -2.248 1.00 53.32 O +ANISOU 1137 O ILE A 146 5692 8322 6247 -1225 -400 474 O +ATOM 1138 CB ILE A 146 1.347 47.428 -1.014 1.00 46.86 C +ANISOU 1138 CB ILE A 146 5279 7151 5375 -1187 -155 452 C +ATOM 1139 CG1 ILE A 146 1.940 47.393 0.395 1.00 43.31 C +ANISOU 1139 CG1 ILE A 146 4854 6643 4958 -1152 -25 441 C +ATOM 1140 CG2 ILE A 146 0.730 48.791 -1.290 1.00 50.00 C +ANISOU 1140 CG2 ILE A 146 5648 7582 5768 -1033 -218 509 C +ATOM 1141 CD1 ILE A 146 3.051 48.395 0.616 1.00 40.62 C +ANISOU 1141 CD1 ILE A 146 4645 6216 4573 -1080 16 428 C +ATOM 1142 N TYR A 147 -0.070 46.307 -3.586 1.00 43.12 N +ANISOU 1142 N TYR A 147 4693 6881 4811 -1388 -423 413 N +ATOM 1143 CA TYR A 147 -0.829 46.527 -4.812 1.00 42.39 C +ANISOU 1143 CA TYR A 147 4542 6924 4639 -1393 -591 423 C +ATOM 1144 C TYR A 147 -2.027 45.587 -4.898 1.00 45.38 C +ANISOU 1144 C TYR A 147 4710 7464 5069 -1529 -653 364 C +ATOM 1145 O TYR A 147 -3.069 45.946 -5.447 1.00 43.47 O +ANISOU 1145 O TYR A 147 4306 7405 4804 -1484 -797 383 O +ATOM 1146 CB TYR A 147 0.067 46.353 -6.039 1.00 41.44 C +ANISOU 1146 CB TYR A 147 4620 6747 4379 -1471 -635 392 C +ATOM 1147 CG TYR A 147 0.765 47.625 -6.462 1.00 46.10 C +ANISOU 1147 CG TYR A 147 5375 7259 4882 -1332 -641 472 C +ATOM 1148 CD1 TYR A 147 0.089 48.606 -7.177 1.00 45.56 C +ANISOU 1148 CD1 TYR A 147 5297 7278 4736 -1200 -774 564 C +ATOM 1149 CD2 TYR A 147 2.099 47.848 -6.146 1.00 40.83 C +ANISOU 1149 CD2 TYR A 147 4874 6432 4209 -1335 -509 458 C +ATOM 1150 CE1 TYR A 147 0.722 49.773 -7.566 1.00 50.36 C +ANISOU 1150 CE1 TYR A 147 6094 7777 5262 -1084 -756 649 C +ATOM 1151 CE2 TYR A 147 2.741 49.012 -6.530 1.00 41.14 C +ANISOU 1151 CE2 TYR A 147 5070 6387 4173 -1247 -490 520 C +ATOM 1152 CZ TYR A 147 2.048 49.970 -7.240 1.00 47.51 C +ANISOU 1152 CZ TYR A 147 5902 7244 4904 -1128 -604 620 C +ATOM 1153 OH TYR A 147 2.683 51.129 -7.624 1.00 47.93 O +ANISOU 1153 OH TYR A 147 6150 7180 4883 -1051 -563 693 O +ATOM 1154 N ALA A 148 -1.870 44.386 -4.351 1.00 45.17 N +ANISOU 1154 N ALA A 148 4685 7369 5109 -1695 -542 293 N +ATOM 1155 CA ALA A 148 -2.971 43.435 -4.265 1.00 47.96 C +ANISOU 1155 CA ALA A 148 4848 7844 5530 -1867 -555 225 C +ATOM 1156 C ALA A 148 -4.099 44.027 -3.428 1.00 52.24 C +ANISOU 1156 C ALA A 148 5141 8534 6173 -1761 -549 274 C +ATOM 1157 O ALA A 148 -5.279 43.814 -3.710 1.00 46.43 O +ANISOU 1157 O ALA A 148 4171 8002 5470 -1836 -636 234 O +ATOM 1158 CB ALA A 148 -2.497 42.116 -3.676 1.00 48.31 C +ANISOU 1158 CB ALA A 148 4992 7728 5634 -2041 -396 164 C +ATOM 1159 N GLY A 149 -3.720 44.774 -2.395 1.00 49.06 N +ANISOU 1159 N GLY A 149 4780 8044 5816 -1591 -439 347 N +ATOM 1160 CA GLY A 149 -4.676 45.482 -1.566 1.00 50.71 C +ANISOU 1160 CA GLY A 149 4781 8374 6113 -1453 -408 390 C +ATOM 1161 C GLY A 149 -5.350 46.589 -2.351 1.00 53.87 C +ANISOU 1161 C GLY A 149 5065 8925 6477 -1268 -579 439 C +ATOM 1162 O GLY A 149 -6.565 46.774 -2.264 1.00 55.61 O +ANISOU 1162 O GLY A 149 5017 9349 6762 -1219 -633 436 O +ATOM 1163 N ILE A 150 -4.553 47.329 -3.116 1.00 47.01 N +ANISOU 1163 N ILE A 150 4400 7959 5503 -1158 -656 489 N +ATOM 1164 CA ILE A 150 -5.061 48.434 -3.922 1.00 49.43 C +ANISOU 1164 CA ILE A 150 4664 8368 5750 -955 -816 567 C +ATOM 1165 C ILE A 150 -6.048 47.951 -4.982 1.00 50.36 C +ANISOU 1165 C ILE A 150 4587 8733 5814 -1039 -1014 531 C +ATOM 1166 O ILE A 150 -7.100 48.558 -5.187 1.00 55.43 O +ANISOU 1166 O ILE A 150 5013 9572 6475 -877 -1136 576 O +ATOM 1167 CB ILE A 150 -3.915 49.194 -4.619 1.00 47.93 C +ANISOU 1167 CB ILE A 150 4774 8001 5436 -871 -838 630 C +ATOM 1168 CG1 ILE A 150 -2.956 49.781 -3.582 1.00 52.31 C +ANISOU 1168 CG1 ILE A 150 5497 8339 6040 -796 -657 646 C +ATOM 1169 CG2 ILE A 150 -4.464 50.293 -5.514 1.00 46.61 C +ANISOU 1169 CG2 ILE A 150 4602 7920 5188 -655 -1003 735 C +ATOM 1170 CD1 ILE A 150 -1.857 50.628 -4.185 1.00 39.33 C +ANISOU 1170 CD1 ILE A 150 4129 6523 4292 -733 -651 698 C +ATOM 1171 N PHE A 151 -5.709 46.847 -5.641 1.00 47.96 N +ANISOU 1171 N PHE A 151 4353 8428 5441 -1288 -1046 441 N +ATOM 1172 CA PHE A 151 -6.546 46.312 -6.709 1.00 52.83 C +ANISOU 1172 CA PHE A 151 4809 9285 5980 -1413 -1239 375 C +ATOM 1173 C PHE A 151 -7.805 45.652 -6.159 1.00 58.26 C +ANISOU 1173 C PHE A 151 5152 10185 6800 -1537 -1232 292 C +ATOM 1174 O PHE A 151 -8.807 45.530 -6.863 1.00 62.30 O +ANISOU 1174 O PHE A 151 5426 10972 7275 -1578 -1415 247 O +ATOM 1175 CB PHE A 151 -5.759 45.315 -7.561 1.00 50.92 C +ANISOU 1175 CB PHE A 151 4772 8953 5621 -1656 -1249 277 C +ATOM 1176 CG PHE A 151 -4.937 45.961 -8.640 1.00 53.70 C +ANISOU 1176 CG PHE A 151 5379 9236 5788 -1560 -1341 341 C +ATOM 1177 CD1 PHE A 151 -5.544 46.470 -9.776 1.00 54.30 C +ANISOU 1177 CD1 PHE A 151 5400 9521 5710 -1474 -1569 384 C +ATOM 1178 CD2 PHE A 151 -3.561 46.057 -8.522 1.00 49.67 C +ANISOU 1178 CD2 PHE A 151 5157 8469 5248 -1556 -1197 360 C +ATOM 1179 CE1 PHE A 151 -4.794 47.066 -10.773 1.00 54.95 C +ANISOU 1179 CE1 PHE A 151 5743 9534 5601 -1394 -1635 457 C +ATOM 1180 CE2 PHE A 151 -2.805 46.652 -9.515 1.00 44.52 C +ANISOU 1180 CE2 PHE A 151 4737 7757 4423 -1492 -1254 415 C +ATOM 1181 CZ PHE A 151 -3.422 47.157 -10.642 1.00 52.99 C +ANISOU 1181 CZ PHE A 151 5785 9016 5333 -1415 -1464 469 C +ATOM 1182 N SER A 152 -7.750 45.228 -4.901 1.00 56.49 N +ANISOU 1182 N SER A 152 4895 9849 6719 -1605 -1021 270 N +ATOM 1183 CA SER A 152 -8.928 44.690 -4.236 1.00 53.90 C +ANISOU 1183 CA SER A 152 4246 9709 6526 -1724 -966 202 C +ATOM 1184 C SER A 152 -9.926 45.811 -3.992 1.00 60.93 C +ANISOU 1184 C SER A 152 4863 10812 7475 -1450 -1043 274 C +ATOM 1185 O SER A 152 -11.134 45.632 -4.161 1.00 59.57 O +ANISOU 1185 O SER A 152 4347 10930 7356 -1497 -1137 215 O +ATOM 1186 CB SER A 152 -8.550 44.006 -2.924 1.00 53.49 C +ANISOU 1186 CB SER A 152 4274 9464 6584 -1848 -703 186 C +ATOM 1187 OG SER A 152 -7.968 42.739 -3.172 1.00 59.47 O +ANISOU 1187 OG SER A 152 5209 10073 7315 -2125 -637 101 O +ATOM 1188 N VAL A 153 -9.409 46.968 -3.590 1.00 58.93 N +ANISOU 1188 N VAL A 153 4760 10412 7218 -1162 -996 390 N +ATOM 1189 CA VAL A 153 -10.228 48.162 -3.438 1.00 61.44 C +ANISOU 1189 CA VAL A 153 4881 10879 7585 -846 -1063 470 C +ATOM 1190 C VAL A 153 -10.788 48.572 -4.796 1.00 64.73 C +ANISOU 1190 C VAL A 153 5190 11518 7887 -732 -1347 507 C +ATOM 1191 O VAL A 153 -11.966 48.914 -4.913 1.00 65.94 O +ANISOU 1191 O VAL A 153 5009 11955 8092 -594 -1464 511 O +ATOM 1192 CB VAL A 153 -9.426 49.327 -2.821 1.00 54.58 C +ANISOU 1192 CB VAL A 153 4263 9755 6720 -584 -945 575 C +ATOM 1193 CG1 VAL A 153 -10.181 50.639 -2.965 1.00 53.31 C +ANISOU 1193 CG1 VAL A 153 3967 9704 6584 -224 -1041 670 C +ATOM 1194 CG2 VAL A 153 -9.127 49.042 -1.359 1.00 49.39 C +ANISOU 1194 CG2 VAL A 153 3641 8957 6169 -654 -685 537 C +ATOM 1195 N LYS A 154 -9.940 48.526 -5.820 1.00 54.48 N +ANISOU 1195 N LYS A 154 4169 10107 6423 -784 -1455 534 N +ATOM 1196 CA LYS A 154 -10.370 48.829 -7.182 1.00 71.74 C +ANISOU 1196 CA LYS A 154 6303 12503 8451 -699 -1731 574 C +ATOM 1197 C LYS A 154 -11.463 47.873 -7.644 1.00 72.22 C +ANISOU 1197 C LYS A 154 6014 12912 8515 -921 -1880 438 C +ATOM 1198 O LYS A 154 -12.454 48.295 -8.242 1.00 63.02 O +ANISOU 1198 O LYS A 154 4583 12055 7308 -767 -2100 466 O +ATOM 1199 CB LYS A 154 -9.191 48.772 -8.155 1.00 55.34 C +ANISOU 1199 CB LYS A 154 4607 10239 6182 -777 -1779 603 C +ATOM 1200 CG LYS A 154 -9.598 49.036 -9.597 1.00 58.89 C +ANISOU 1200 CG LYS A 154 5039 10912 6426 -704 -2065 649 C +ATOM 1201 CD LYS A 154 -8.463 48.787 -10.572 1.00 56.74 C +ANISOU 1201 CD LYS A 154 5131 10477 5951 -840 -2085 646 C +ATOM 1202 CE LYS A 154 -8.987 48.710 -11.997 1.00 64.08 C +ANISOU 1202 CE LYS A 154 6011 11686 6652 -853 -2372 646 C +ATOM 1203 NZ LYS A 154 -9.775 49.919 -12.366 1.00 66.59 N +ANISOU 1203 NZ LYS A 154 6212 12180 6908 -483 -2568 821 N +ATOM 1204 N TRP A 155 -11.268 46.585 -7.376 1.00 66.68 N +ANISOU 1204 N TRP A 155 5317 12157 7861 -1283 -1760 289 N +ATOM 1205 CA TRP A 155 -12.266 45.571 -7.695 1.00 69.29 C +ANISOU 1205 CA TRP A 155 5328 12782 8216 -1564 -1854 128 C +ATOM 1206 C TRP A 155 -13.591 45.901 -7.019 1.00 71.09 C +ANISOU 1206 C TRP A 155 5109 13297 8604 -1447 -1859 119 C +ATOM 1207 O TRP A 155 -14.657 45.775 -7.621 1.00 69.94 O +ANISOU 1207 O TRP A 155 4693 13431 8449 -1455 -2028 46 O +ATOM 1208 CB TRP A 155 -11.786 44.181 -7.269 1.00 66.44 C +ANISOU 1208 CB TRP A 155 5094 12234 7917 -1955 -1654 -15 C +ATOM 1209 CG TRP A 155 -12.794 43.097 -7.523 1.00 70.53 C +ANISOU 1209 CG TRP A 155 5364 12948 8486 -2256 -1685 -198 C +ATOM 1210 CD1 TRP A 155 -12.896 42.320 -8.639 1.00 69.61 C +ANISOU 1210 CD1 TRP A 155 5336 12860 8252 -2457 -1803 -331 C +ATOM 1211 CD2 TRP A 155 -13.841 42.672 -6.641 1.00 69.59 C +ANISOU 1211 CD2 TRP A 155 4973 12909 8560 -2342 -1538 -272 C +ATOM 1212 NE1 TRP A 155 -13.942 41.439 -8.509 1.00 69.34 N +ANISOU 1212 NE1 TRP A 155 5095 12919 8332 -2668 -1749 -483 N +ATOM 1213 CE2 TRP A 155 -14.539 41.634 -7.291 1.00 72.33 C +ANISOU 1213 CE2 TRP A 155 5252 13329 8902 -2606 -1585 -446 C +ATOM 1214 CE3 TRP A 155 -14.258 43.069 -5.366 1.00 68.07 C +ANISOU 1214 CE3 TRP A 155 4595 12732 8535 -2226 -1360 -213 C +ATOM 1215 CZ2 TRP A 155 -15.629 40.988 -6.711 1.00 73.71 C +ANISOU 1215 CZ2 TRP A 155 5178 13589 9238 -2768 -1466 -553 C +ATOM 1216 CZ3 TRP A 155 -15.341 42.427 -4.792 1.00 74.61 C +ANISOU 1216 CZ3 TRP A 155 5187 13646 9517 -2379 -1234 -321 C +ATOM 1217 CH2 TRP A 155 -16.014 41.398 -5.464 1.00 72.03 C +ANISOU 1217 CH2 TRP A 155 4794 13389 9186 -2652 -1290 -484 C +ATOM 1218 N ALA A 156 -13.509 46.326 -5.762 1.00 72.16 N +ANISOU 1218 N ALA A 156 5245 13277 8895 -1306 -1631 181 N +ATOM 1219 CA ALA A 156 -14.690 46.704 -4.998 1.00 75.61 C +ANISOU 1219 CA ALA A 156 5276 13959 9493 -1170 -1584 172 C +ATOM 1220 C ALA A 156 -15.351 47.939 -5.596 1.00 78.33 C +ANISOU 1220 C ALA A 156 5437 14532 9792 -765 -1816 286 C +ATOM 1221 O ALA A 156 -16.574 48.008 -5.695 1.00 80.31 O +ANISOU 1221 O ALA A 156 5336 15060 10119 -691 -1905 230 O +ATOM 1222 CB ALA A 156 -14.324 46.949 -3.543 1.00 70.56 C +ANISOU 1222 CB ALA A 156 4742 13074 8993 -1094 -1279 216 C +ATOM 1223 N LEU A 157 -14.533 48.911 -5.992 1.00 76.58 N +ANISOU 1223 N LEU A 157 5552 14086 9458 -487 -1873 440 N +ATOM 1224 CA LEU A 157 -15.026 50.126 -6.634 1.00 75.27 C +ANISOU 1224 CA LEU A 157 5304 14071 9224 -74 -2089 582 C +ATOM 1225 C LEU A 157 -15.797 49.807 -7.913 1.00 75.88 C +ANISOU 1225 C LEU A 157 5136 14535 9160 -125 -2419 540 C +ATOM 1226 O LEU A 157 -16.854 50.383 -8.171 1.00 76.42 O +ANISOU 1226 O LEU A 157 4964 14804 9269 136 -2552 568 O +ATOM 1227 CB LEU A 157 -13.866 51.075 -6.951 1.00 70.79 C +ANISOU 1227 CB LEU A 157 5214 13147 8535 150 -2072 747 C +ATOM 1228 CG LEU A 157 -13.178 51.797 -5.789 1.00 69.48 C +ANISOU 1228 CG LEU A 157 5285 12629 8487 309 -1797 811 C +ATOM 1229 CD1 LEU A 157 -12.222 52.856 -6.314 1.00 69.79 C +ANISOU 1229 CD1 LEU A 157 5745 12377 8395 540 -1823 972 C +ATOM 1230 CD2 LEU A 157 -14.198 52.423 -4.859 1.00 71.02 C +ANISOU 1230 CD2 LEU A 157 5157 12962 8865 570 -1708 818 C +ATOM 1231 N ASP A 158 -15.265 48.883 -8.706 1.00 74.80 N +ANISOU 1231 N ASP A 158 5193 14347 8879 -456 -2485 445 N +ATOM 1232 CA ASP A 158 -15.861 48.538 -9.992 1.00 84.52 C +ANISOU 1232 CA ASP A 158 6381 15766 9968 -524 -2732 372 C +ATOM 1233 C ASP A 158 -17.086 47.630 -9.852 1.00 88.59 C +ANISOU 1233 C ASP A 158 6548 16485 10626 -754 -2716 170 C +ATOM 1234 O ASP A 158 -17.895 47.528 -10.774 1.00 94.61 O +ANISOU 1234 O ASP A 158 7163 17472 11311 -742 -2933 115 O +ATOM 1235 CB ASP A 158 -14.819 47.873 -10.896 1.00 85.18 C +ANISOU 1235 CB ASP A 158 6819 15705 9840 -791 -2782 328 C +ATOM 1236 CG ASP A 158 -13.651 48.790 -11.214 1.00 89.17 C +ANISOU 1236 CG ASP A 158 7679 16030 10172 -575 -2820 533 C +ATOM 1237 OD1 ASP A 158 -13.814 50.023 -11.103 1.00 92.38 O +ANISOU 1237 OD1 ASP A 158 8106 16405 10589 -171 -2861 717 O +ATOM 1238 OD2 ASP A 158 -12.570 48.279 -11.577 1.00 90.05 O +ANISOU 1238 OD2 ASP A 158 8147 15895 10174 -792 -2737 493 O +ATOM 1239 N ASN A 159 -17.221 46.978 -8.702 1.00 87.28 N +ANISOU 1239 N ASN A 159 6264 16240 10659 -968 -2455 68 N +ATOM 1240 CA ASN A 159 -18.297 46.011 -8.493 1.00 90.23 C +ANISOU 1240 CA ASN A 159 6351 16763 11168 -1238 -2395 -123 C +ATOM 1241 C ASN A 159 -19.250 46.370 -7.353 1.00 95.20 C +ANISOU 1241 C ASN A 159 6641 17504 12027 -1098 -2241 -125 C +ATOM 1242 O ASN A 159 -20.041 45.533 -6.922 1.00101.53 O +ANISOU 1242 O ASN A 159 7228 18384 12963 -1352 -2122 -274 O +ATOM 1243 CB ASN A 159 -17.709 44.619 -8.233 1.00 88.28 C +ANISOU 1243 CB ASN A 159 6299 16299 10944 -1696 -2197 -272 C +ATOM 1244 CG ASN A 159 -16.969 44.059 -9.435 1.00 88.84 C +ANISOU 1244 CG ASN A 159 6666 16288 10803 -1880 -2336 -325 C +ATOM 1245 OD1 ASN A 159 -17.538 43.327 -10.244 1.00 93.56 O +ANISOU 1245 OD1 ASN A 159 7189 17016 11342 -2085 -2453 -470 O +ATOM 1246 ND2 ASN A 159 -15.692 44.401 -9.556 1.00 85.72 N +ANISOU 1246 ND2 ASN A 159 6605 15677 10286 -1814 -2316 -215 N +ATOM 1247 N VAL A 160 -19.176 47.603 -6.858 1.00 95.47 N +ANISOU 1247 N VAL A 160 6641 17530 12103 -697 -2226 37 N +ATOM 1248 CA VAL A 160 -19.974 47.992 -5.696 1.00 96.87 C +ANISOU 1248 CA VAL A 160 6530 17781 12494 -547 -2039 32 C +ATOM 1249 C VAL A 160 -21.461 48.228 -5.987 1.00 99.69 C +ANISOU 1249 C VAL A 160 6479 18459 12939 -404 -2181 -24 C +ATOM 1250 O VAL A 160 -22.317 47.857 -5.183 1.00100.33 O +ANISOU 1250 O VAL A 160 6284 18638 13200 -516 -2011 -128 O +ATOM 1251 CB VAL A 160 -19.395 49.269 -5.028 1.00 83.85 C +ANISOU 1251 CB VAL A 160 4993 15996 10869 -143 -1951 213 C +ATOM 1252 CG1 VAL A 160 -19.341 50.435 -6.011 1.00 85.03 C +ANISOU 1252 CG1 VAL A 160 5223 16206 10878 274 -2226 382 C +ATOM 1253 CG2 VAL A 160 -20.189 49.630 -3.778 1.00 87.20 C +ANISOU 1253 CG2 VAL A 160 5143 16479 11509 0 -1724 185 C +ATOM 1254 N LYS A 161 -21.776 48.808 -7.141 1.00102.30 N +ANISOU 1254 N LYS A 161 6775 18956 13137 -170 -2489 46 N +ATOM 1255 CA LYS A 161 -23.147 49.230 -7.419 1.00110.68 C +ANISOU 1255 CA LYS A 161 7447 20330 14278 42 -2645 25 C +ATOM 1256 C LYS A 161 -24.035 48.083 -7.882 1.00114.45 C +ANISOU 1256 C LYS A 161 7674 21035 14776 -334 -2720 -177 C +ATOM 1257 O LYS A 161 -25.260 48.194 -7.898 1.00113.00 O +ANISOU 1257 O LYS A 161 7105 21130 14698 -250 -2795 -236 O +ATOM 1258 CB LYS A 161 -23.146 50.345 -8.458 1.00115.39 C +ANISOU 1258 CB LYS A 161 8125 21004 14714 468 -2946 202 C +ATOM 1259 CG LYS A 161 -22.564 51.631 -7.922 1.00115.23 C +ANISOU 1259 CG LYS A 161 8288 20781 14715 907 -2861 405 C +ATOM 1260 CD LYS A 161 -22.309 52.631 -9.019 1.00116.89 C +ANISOU 1260 CD LYS A 161 8707 20977 14730 1281 -3136 604 C +ATOM 1261 CE LYS A 161 -21.952 53.967 -8.419 1.00114.57 C +ANISOU 1261 CE LYS A 161 8562 20477 14494 1749 -3030 800 C +ATOM 1262 NZ LYS A 161 -22.784 54.259 -7.216 1.00114.85 N +ANISOU 1262 NZ LYS A 161 8272 20576 14791 1895 -2813 736 N +ATOM 1263 N GLU A 162 -23.403 46.982 -8.264 1.00118.07 N +ANISOU 1263 N GLU A 162 8359 21369 15135 -745 -2693 -286 N +ATOM 1264 CA GLU A 162 -24.113 45.761 -8.621 1.00126.54 C +ANISOU 1264 CA GLU A 162 9255 22595 16231 -1156 -2714 -494 C +ATOM 1265 C GLU A 162 -24.251 44.853 -7.399 1.00128.10 C +ANISOU 1265 C GLU A 162 9390 22661 16622 -1488 -2368 -614 C +ATOM 1266 O GLU A 162 -25.104 43.963 -7.361 1.00130.91 O +ANISOU 1266 O GLU A 162 9515 23160 17064 -1789 -2323 -780 O +ATOM 1267 CB GLU A 162 -23.408 45.051 -9.777 1.00130.46 C +ANISOU 1267 CB GLU A 162 10048 23015 16506 -1407 -2870 -556 C +ATOM 1268 CG GLU A 162 -21.927 44.814 -9.564 1.00131.23 C +ANISOU 1268 CG GLU A 162 10595 22747 16518 -1522 -2716 -500 C +ATOM 1269 CD GLU A 162 -21.216 44.475 -10.858 1.00134.07 C +ANISOU 1269 CD GLU A 162 11252 23057 16630 -1639 -2912 -521 C +ATOM 1270 OE1 GLU A 162 -21.903 44.253 -11.877 1.00141.61 O +ANISOU 1270 OE1 GLU A 162 12068 24256 17482 -1691 -3148 -606 O +ATOM 1271 OE2 GLU A 162 -19.970 44.444 -10.863 1.00127.31 O +ANISOU 1271 OE2 GLU A 162 10767 21929 15677 -1678 -2830 -455 O +ATOM 1272 N LYS A 163 -23.397 45.074 -6.404 1.00124.19 N +ANISOU 1272 N LYS A 163 9114 21888 16184 -1438 -2123 -526 N +ATOM 1273 CA LYS A 163 -23.420 44.259 -5.195 1.00118.62 C +ANISOU 1273 CA LYS A 163 8409 21024 15639 -1729 -1782 -608 C +ATOM 1274 C LYS A 163 -23.979 45.052 -4.014 1.00115.83 C +ANISOU 1274 C LYS A 163 7820 20727 15463 -1466 -1597 -544 C +ATOM 1275 O LYS A 163 -24.271 44.486 -2.962 1.00119.68 O +ANISOU 1275 O LYS A 163 8238 21143 16093 -1669 -1315 -608 O +ATOM 1276 CB LYS A 163 -22.014 43.752 -4.870 1.00114.51 C +ANISOU 1276 CB LYS A 163 8329 20134 15044 -1915 -1612 -572 C +ATOM 1277 CG LYS A 163 -21.444 42.815 -5.921 1.00115.02 C +ANISOU 1277 CG LYS A 163 8646 20104 14952 -2213 -1735 -661 C +ATOM 1278 CD LYS A 163 -21.970 41.400 -5.782 1.00118.54 C +ANISOU 1278 CD LYS A 163 9040 20522 15476 -2661 -1593 -845 C +ATOM 1279 CE LYS A 163 -21.079 40.425 -6.530 1.00117.67 C +ANISOU 1279 CE LYS A 163 9288 20194 15226 -2953 -1615 -922 C +ATOM 1280 NZ LYS A 163 -20.805 40.881 -7.922 1.00117.04 N +ANISOU 1280 NZ LYS A 163 9285 20242 14942 -2810 -1936 -903 N +ATOM 1281 N GLY A 164 -24.126 46.362 -4.205 1.00111.61 N +ANISOU 1281 N GLY A 164 7186 20308 14913 -1006 -1748 -413 N +ATOM 1282 CA GLY A 164 -24.754 47.246 -3.234 1.00111.22 C +ANISOU 1282 CA GLY A 164 6895 20337 15028 -694 -1601 -359 C +ATOM 1283 C GLY A 164 -24.239 47.177 -1.807 1.00106.18 C +ANISOU 1283 C GLY A 164 6394 19458 14490 -756 -1238 -340 C +ATOM 1284 O GLY A 164 -25.005 47.359 -0.861 1.00109.69 O +ANISOU 1284 O GLY A 164 6595 19984 15097 -692 -1039 -375 O +ATOM 1285 N GLY A 165 -22.945 46.918 -1.644 1.00 95.33 N +ANISOU 1285 N GLY A 165 5410 17796 13014 -879 -1149 -285 N +ATOM 1286 CA GLY A 165 -22.358 46.818 -0.320 1.00 88.60 C +ANISOU 1286 CA GLY A 165 4723 16712 12228 -947 -817 -260 C +ATOM 1287 C GLY A 165 -21.258 45.777 -0.267 1.00 88.29 C +ANISOU 1287 C GLY A 165 5051 16400 12097 -1314 -713 -279 C +ATOM 1288 O GLY A 165 -21.493 44.610 -0.578 1.00 94.18 O +ANISOU 1288 O GLY A 165 5808 17134 12842 -1681 -705 -391 O +ATOM 1289 N LEU A 166 -20.058 46.189 0.129 1.00 79.96 N +ANISOU 1289 N LEU A 166 4298 15116 10967 -1210 -628 -170 N +ATOM 1290 CA LEU A 166 -18.918 45.278 0.139 1.00 77.74 C +ANISOU 1290 CA LEU A 166 4380 14565 10594 -1516 -544 -172 C +ATOM 1291 C LEU A 166 -17.984 45.486 1.327 1.00 76.38 C +ANISOU 1291 C LEU A 166 4442 14157 10421 -1478 -283 -89 C +ATOM 1292 O LEU A 166 -17.607 46.613 1.647 1.00 74.70 O +ANISOU 1292 O LEU A 166 4247 13942 10193 -1151 -276 13 O +ATOM 1293 CB LEU A 166 -18.115 45.424 -1.157 1.00 75.91 C +ANISOU 1293 CB LEU A 166 4349 14300 10192 -1480 -821 -125 C +ATOM 1294 CG LEU A 166 -18.739 44.902 -2.452 1.00 80.37 C +ANISOU 1294 CG LEU A 166 4801 15040 10697 -1618 -1076 -223 C +ATOM 1295 CD1 LEU A 166 -17.861 45.250 -3.643 1.00 78.51 C +ANISOU 1295 CD1 LEU A 166 4799 14763 10269 -1524 -1329 -151 C +ATOM 1296 CD2 LEU A 166 -18.964 43.402 -2.369 1.00 81.93 C +ANISOU 1296 CD2 LEU A 166 5047 15146 10936 -2067 -945 -371 C +ATOM 1297 N LEU A 167 -17.616 44.385 1.973 1.00 76.97 N +ANISOU 1297 N LEU A 167 4711 14026 10507 -1804 -65 -129 N +ATOM 1298 CA LEU A 167 -16.543 44.391 2.960 1.00 71.78 C +ANISOU 1298 CA LEU A 167 4346 13121 9806 -1813 154 -45 C +ATOM 1299 C LEU A 167 -15.301 43.750 2.359 1.00 67.01 C +ANISOU 1299 C LEU A 167 4091 12290 9080 -1997 81 -18 C +ATOM 1300 O LEU A 167 -15.305 42.566 2.027 1.00 62.93 O +ANISOU 1300 O LEU A 167 3688 11663 8559 -2301 97 -94 O +ATOM 1301 CB LEU A 167 -16.952 43.651 4.235 1.00 66.36 C +ANISOU 1301 CB LEU A 167 3672 12339 9201 -2006 470 -79 C +ATOM 1302 CG LEU A 167 -18.005 44.294 5.135 1.00 83.00 C +ANISOU 1302 CG LEU A 167 5488 14625 11424 -1828 624 -99 C +ATOM 1303 CD1 LEU A 167 -18.330 43.381 6.304 1.00 83.70 C +ANISOU 1303 CD1 LEU A 167 5643 14596 11565 -2074 933 -122 C +ATOM 1304 CD2 LEU A 167 -17.509 45.635 5.638 1.00 67.19 C +ANISOU 1304 CD2 LEU A 167 3512 12630 9386 -1460 658 -12 C +ATOM 1305 N VAL A 168 -14.239 44.534 2.220 1.00 68.11 N +ANISOU 1305 N VAL A 168 4495 12258 9125 -1767 11 84 N +ATOM 1306 CA VAL A 168 -12.987 44.017 1.686 1.00 60.44 C +ANISOU 1306 CA VAL A 168 3918 11006 8040 -1879 -46 111 C +ATOM 1307 C VAL A 168 -11.925 43.945 2.771 1.00 60.70 C +ANISOU 1307 C VAL A 168 4293 10733 8039 -1848 169 184 C +ATOM 1308 O VAL A 168 -11.531 44.963 3.341 1.00 59.00 O +ANISOU 1308 O VAL A 168 4177 10436 7805 -1575 214 254 O +ATOM 1309 CB VAL A 168 -12.464 44.877 0.521 1.00 59.56 C +ANISOU 1309 CB VAL A 168 3931 10875 7824 -1649 -307 164 C +ATOM 1310 CG1 VAL A 168 -11.050 44.457 0.143 1.00 60.59 C +ANISOU 1310 CG1 VAL A 168 4479 10702 7842 -1734 -316 193 C +ATOM 1311 CG2 VAL A 168 -13.392 44.766 -0.676 1.00 62.38 C +ANISOU 1311 CG2 VAL A 168 3993 11540 8170 -1710 -553 93 C +ATOM 1312 N GLY A 169 -11.474 42.730 3.062 1.00 61.75 N +ANISOU 1312 N GLY A 169 4607 10696 8158 -2128 300 163 N +ATOM 1313 CA GLY A 169 -10.384 42.536 3.995 1.00 55.34 C +ANISOU 1313 CA GLY A 169 4131 9606 7289 -2099 470 240 C +ATOM 1314 C GLY A 169 -9.050 42.739 3.307 1.00 53.98 C +ANISOU 1314 C GLY A 169 4276 9223 7012 -1999 338 279 C +ATOM 1315 O GLY A 169 -8.676 41.974 2.418 1.00 55.59 O +ANISOU 1315 O GLY A 169 4590 9352 7181 -2167 248 237 O +ATOM 1316 N LEU A 170 -8.332 43.775 3.722 1.00 55.42 N +ANISOU 1316 N LEU A 170 4601 9313 7143 -1739 340 346 N +ATOM 1317 CA LEU A 170 -7.033 44.098 3.146 1.00 52.27 C +ANISOU 1317 CA LEU A 170 4484 8730 6648 -1640 236 379 C +ATOM 1318 C LEU A 170 -5.923 43.208 3.695 1.00 50.47 C +ANISOU 1318 C LEU A 170 4534 8274 6367 -1747 357 405 C +ATOM 1319 O LEU A 170 -6.093 42.566 4.732 1.00 42.71 O +ANISOU 1319 O LEU A 170 3567 7255 5405 -1840 535 426 O +ATOM 1320 CB LEU A 170 -6.698 45.570 3.401 1.00 50.57 C +ANISOU 1320 CB LEU A 170 4315 8495 6404 -1347 207 427 C +ATOM 1321 CG LEU A 170 -7.589 46.592 2.695 1.00 51.88 C +ANISOU 1321 CG LEU A 170 4266 8839 6606 -1169 60 429 C +ATOM 1322 CD1 LEU A 170 -7.217 48.005 3.116 1.00 53.54 C +ANISOU 1322 CD1 LEU A 170 4575 8969 6799 -886 82 475 C +ATOM 1323 CD2 LEU A 170 -7.481 46.431 1.187 1.00 44.69 C +ANISOU 1323 CD2 LEU A 170 3377 7965 5638 -1224 -156 417 C +ATOM 1324 N PRO A 171 -4.779 43.163 2.993 1.00 52.01 N +ANISOU 1324 N PRO A 171 4951 8322 6487 -1724 267 408 N +ATOM 1325 CA PRO A 171 -3.572 42.530 3.537 1.00 46.52 C +ANISOU 1325 CA PRO A 171 4513 7424 5737 -1747 364 441 C +ATOM 1326 C PRO A 171 -3.083 43.216 4.813 1.00 43.54 C +ANISOU 1326 C PRO A 171 4210 7013 5322 -1579 471 496 C +ATOM 1327 O PRO A 171 -3.583 44.284 5.168 1.00 43.71 O +ANISOU 1327 O PRO A 171 4111 7137 5359 -1438 471 498 O +ATOM 1328 CB PRO A 171 -2.555 42.688 2.405 1.00 42.31 C +ANISOU 1328 CB PRO A 171 4137 6801 5137 -1713 229 418 C +ATOM 1329 CG PRO A 171 -3.383 42.767 1.170 1.00 46.18 C +ANISOU 1329 CG PRO A 171 4479 7425 5642 -1786 79 364 C +ATOM 1330 CD PRO A 171 -4.619 43.516 1.570 1.00 49.02 C +ANISOU 1330 CD PRO A 171 4582 7978 6066 -1703 72 377 C +ATOM 1331 N ARG A 172 -2.110 42.606 5.484 1.00 49.48 N +ANISOU 1331 N ARG A 172 5159 7626 6016 -1586 557 535 N +ATOM 1332 CA ARG A 172 -1.691 43.034 6.818 1.00 51.21 C +ANISOU 1332 CA ARG A 172 5449 7837 6173 -1464 665 580 C +ATOM 1333 C ARG A 172 -1.192 44.482 6.880 1.00 48.55 C +ANISOU 1333 C ARG A 172 5123 7528 5794 -1276 600 555 C +ATOM 1334 O ARG A 172 -0.361 44.907 6.074 1.00 38.59 O +ANISOU 1334 O ARG A 172 3947 6208 4506 -1229 490 530 O +ATOM 1335 CB ARG A 172 -0.613 42.080 7.346 1.00 51.05 C +ANISOU 1335 CB ARG A 172 5644 7674 6080 -1482 727 633 C +ATOM 1336 CG ARG A 172 0.652 42.010 6.506 1.00 48.22 C +ANISOU 1336 CG ARG A 172 5423 7213 5686 -1440 616 607 C +ATOM 1337 CD ARG A 172 1.569 40.898 6.994 1.00 49.25 C +ANISOU 1337 CD ARG A 172 5736 7211 5764 -1442 681 665 C +ATOM 1338 NE ARG A 172 1.041 39.581 6.649 1.00 49.36 N +ANISOU 1338 NE ARG A 172 5792 7122 5841 -1610 748 681 N +ATOM 1339 CZ ARG A 172 0.897 38.579 7.510 1.00 52.92 C +ANISOU 1339 CZ ARG A 172 6348 7482 6277 -1662 887 765 C +ATOM 1340 NH1 ARG A 172 1.238 38.739 8.780 1.00 61.79 N +ANISOU 1340 NH1 ARG A 172 7539 8633 7306 -1544 960 850 N +ATOM 1341 NH2 ARG A 172 0.407 37.417 7.100 1.00 55.48 N +ANISOU 1341 NH2 ARG A 172 6726 7684 6669 -1842 958 764 N +ATOM 1342 N TYR A 173 -1.734 45.221 7.849 1.00 49.98 N +ANISOU 1342 N TYR A 173 5228 7794 5970 -1183 689 554 N +ATOM 1343 CA TYR A 173 -1.358 46.604 8.174 1.00 48.32 C +ANISOU 1343 CA TYR A 173 5050 7590 5721 -1014 674 517 C +ATOM 1344 C TYR A 173 -1.035 47.496 6.975 1.00 50.69 C +ANISOU 1344 C TYR A 173 5367 7848 6044 -943 530 487 C +ATOM 1345 O TYR A 173 0.060 48.051 6.875 1.00 54.86 O +ANISOU 1345 O TYR A 173 6039 8294 6513 -894 492 463 O +ATOM 1346 CB TYR A 173 -0.193 46.641 9.177 1.00 51.44 C +ANISOU 1346 CB TYR A 173 5618 7931 5994 -970 727 517 C +ATOM 1347 CG TYR A 173 0.927 45.642 8.982 1.00 47.86 C +ANISOU 1347 CG TYR A 173 5308 7391 5485 -1035 686 550 C +ATOM 1348 CD1 TYR A 173 1.998 45.920 8.142 1.00 47.27 C +ANISOU 1348 CD1 TYR A 173 5318 7249 5395 -1016 575 514 C +ATOM 1349 CD2 TYR A 173 0.939 44.441 9.681 1.00 44.79 C +ANISOU 1349 CD2 TYR A 173 4980 6983 5056 -1104 774 620 C +ATOM 1350 CE1 TYR A 173 3.031 45.017 7.981 1.00 50.24 C +ANISOU 1350 CE1 TYR A 173 5803 7557 5728 -1049 548 535 C +ATOM 1351 CE2 TYR A 173 1.967 43.533 9.527 1.00 45.84 C +ANISOU 1351 CE2 TYR A 173 5250 7024 5145 -1122 741 657 C +ATOM 1352 CZ TYR A 173 3.010 43.825 8.677 1.00 49.61 C +ANISOU 1352 CZ TYR A 173 5779 7452 5617 -1086 626 608 C +ATOM 1353 OH TYR A 173 4.035 42.921 8.523 1.00 57.28 O +ANISOU 1353 OH TYR A 173 6866 8345 6554 -1081 602 636 O +ATOM 1354 N MET A 174 -1.994 47.622 6.066 1.00 48.08 N +ANISOU 1354 N MET A 174 5267 6564 6438 -773 -349 -328 N +ATOM 1355 CA MET A 174 -1.890 48.588 4.984 1.00 48.63 C +ANISOU 1355 CA MET A 174 5337 6671 6469 -663 -431 -282 C +ATOM 1356 C MET A 174 -3.163 49.421 4.925 1.00 50.04 C +ANISOU 1356 C MET A 174 5275 7014 6723 -549 -450 -157 C +ATOM 1357 O MET A 174 -4.240 48.950 5.291 1.00 50.00 O +ANISOU 1357 O MET A 174 5075 7142 6782 -623 -460 -120 O +ATOM 1358 CB MET A 174 -1.637 47.895 3.642 1.00 51.44 C +ANISOU 1358 CB MET A 174 5772 7054 6717 -803 -585 -324 C +ATOM 1359 CG MET A 174 -2.796 47.051 3.139 1.00 58.10 C +ANISOU 1359 CG MET A 174 6447 8071 7557 -976 -713 -306 C +ATOM 1360 SD MET A 174 -2.660 46.693 1.377 1.00 74.93 S +ANISOU 1360 SD MET A 174 8652 10286 9533 -1094 -910 -341 S +ATOM 1361 CE MET A 174 -2.937 48.320 0.676 1.00 50.27 C +ANISOU 1361 CE MET A 174 5448 7270 6383 -848 -964 -191 C +ATOM 1362 N GLU A 175 -3.034 50.659 4.466 1.00 53.56 N +ANISOU 1362 N GLU A 175 5734 7448 7170 -362 -443 -86 N +ATOM 1363 CA GLU A 175 -4.178 51.551 4.337 1.00 54.03 C +ANISOU 1363 CA GLU A 175 5574 7650 7304 -206 -456 52 C +ATOM 1364 C GLU A 175 -4.338 51.970 2.886 1.00 57.22 C +ANISOU 1364 C GLU A 175 5967 8152 7622 -154 -619 142 C +ATOM 1365 O GLU A 175 -3.401 51.865 2.095 1.00 55.10 O +ANISOU 1365 O GLU A 175 5899 7797 7241 -203 -671 92 O +ATOM 1366 CB GLU A 175 -4.015 52.785 5.224 1.00 54.35 C +ANISOU 1366 CB GLU A 175 5641 7573 7438 10 -267 80 C +ATOM 1367 CG GLU A 175 -2.889 53.706 4.788 1.00 64.56 C +ANISOU 1367 CG GLU A 175 7158 8689 8684 120 -216 62 C +ATOM 1368 CD GLU A 175 -2.787 54.955 5.642 1.00 73.92 C +ANISOU 1368 CD GLU A 175 8373 9746 9966 315 -19 73 C +ATOM 1369 OE1 GLU A 175 -3.797 55.331 6.274 1.00 78.23 O +ANISOU 1369 OE1 GLU A 175 8739 10369 10616 423 56 141 O +ATOM 1370 OE2 GLU A 175 -1.695 55.560 5.681 1.00 76.19 O +ANISOU 1370 OE2 GLU A 175 8863 9854 10230 352 72 3 O +ATOM 1371 N VAL A 176 -5.526 52.444 2.532 1.00 62.46 N +ANISOU 1371 N VAL A 176 6392 9009 8330 -47 -696 279 N +ATOM 1372 CA VAL A 176 -5.731 52.996 1.203 1.00 65.48 C +ANISOU 1372 CA VAL A 176 6760 9502 8617 48 -851 397 C +ATOM 1373 C VAL A 176 -6.267 54.418 1.253 1.00 69.25 C +ANISOU 1373 C VAL A 176 7139 9988 9184 349 -778 567 C +ATOM 1374 O VAL A 176 -6.938 54.818 2.204 1.00 70.62 O +ANISOU 1374 O VAL A 176 7152 10176 9505 464 -654 605 O +ATOM 1375 CB VAL A 176 -6.698 52.130 0.368 1.00 68.47 C +ANISOU 1375 CB VAL A 176 6932 10160 8922 -113 -1080 420 C +ATOM 1376 CG1 VAL A 176 -6.111 50.745 0.137 1.00 65.75 C +ANISOU 1376 CG1 VAL A 176 6728 9774 8479 -411 -1144 248 C +ATOM 1377 CG2 VAL A 176 -8.062 52.041 1.042 1.00 70.26 C +ANISOU 1377 CG2 VAL A 176 6821 10584 9291 -92 -1075 484 C +ATOM 1378 N GLU A 177 -5.949 55.177 0.213 1.00 72.22 N +ANISOU 1378 N GLU A 177 7631 10343 9467 481 -841 671 N +ATOM 1379 CA GLU A 177 -6.500 56.507 0.032 1.00 77.01 C +ANISOU 1379 CA GLU A 177 8160 10958 10142 783 -793 863 C +ATOM 1380 C GLU A 177 -7.115 56.542 -1.353 1.00 79.28 C +ANISOU 1380 C GLU A 177 8344 11486 10291 829 -1033 1017 C +ATOM 1381 O GLU A 177 -6.533 56.026 -2.307 1.00 86.72 O +ANISOU 1381 O GLU A 177 9440 12454 11054 680 -1165 970 O +ATOM 1382 CB GLU A 177 -5.423 57.584 0.167 1.00 85.43 C +ANISOU 1382 CB GLU A 177 9510 11722 11229 927 -596 862 C +ATOM 1383 CG GLU A 177 -4.905 57.802 1.578 1.00 92.81 C +ANISOU 1383 CG GLU A 177 10526 12438 12298 925 -355 725 C +ATOM 1384 CD GLU A 177 -3.640 58.641 1.601 1.00 96.47 C +ANISOU 1384 CD GLU A 177 11288 12614 12751 980 -187 669 C +ATOM 1385 OE1 GLU A 177 -3.456 59.466 0.681 1.00 97.54 O +ANISOU 1385 OE1 GLU A 177 11536 12689 12836 1118 -195 798 O +ATOM 1386 OE2 GLU A 177 -2.829 58.475 2.536 1.00 96.25 O +ANISOU 1386 OE2 GLU A 177 11382 12428 12762 880 -47 499 O +ATOM 1387 N ILE A 178 -8.290 57.146 -1.473 1.00 79.00 N +ANISOU 1387 N ILE A 178 8046 11641 10329 1041 -1092 1201 N +ATOM 1388 CA ILE A 178 -8.933 57.238 -2.773 1.00 73.74 C +ANISOU 1388 CA ILE A 178 7259 11241 9516 1111 -1341 1366 C +ATOM 1389 C ILE A 178 -9.022 58.688 -3.215 1.00 73.85 C +ANISOU 1389 C ILE A 178 7337 11174 9548 1469 -1276 1601 C +ATOM 1390 O ILE A 178 -9.722 59.497 -2.606 1.00 77.09 O +ANISOU 1390 O ILE A 178 7583 11572 10134 1721 -1158 1723 O +ATOM 1391 CB ILE A 178 -10.336 56.610 -2.759 1.00 73.10 C +ANISOU 1391 CB ILE A 178 6770 11525 9478 1051 -1522 1405 C +ATOM 1392 CG1 ILE A 178 -10.243 55.116 -2.443 1.00 69.27 C +ANISOU 1392 CG1 ILE A 178 6252 11104 8963 672 -1584 1176 C +ATOM 1393 CG2 ILE A 178 -11.024 56.822 -4.097 1.00 75.80 C +ANISOU 1393 CG2 ILE A 178 6969 12174 9656 1153 -1795 1590 C +ATOM 1394 CD1 ILE A 178 -11.582 54.459 -2.208 1.00 73.64 C +ANISOU 1394 CD1 ILE A 178 6403 11979 9597 569 -1709 1179 C +ATOM 1395 N LYS A 179 -8.299 59.008 -4.280 1.00 78.33 N +ANISOU 1395 N LYS A 179 8156 11672 9933 1493 -1337 1667 N +ATOM 1396 CA LYS A 179 -8.325 60.344 -4.848 1.00 86.43 C +ANISOU 1396 CA LYS A 179 9286 12606 10947 1822 -1279 1910 C +ATOM 1397 C LYS A 179 -9.312 60.390 -6.007 1.00 94.41 C +ANISOU 1397 C LYS A 179 10090 13979 11804 1947 -1565 2129 C +ATOM 1398 O LYS A 179 -10.077 59.449 -6.216 1.00 97.03 O +ANISOU 1398 O LYS A 179 10154 14638 12074 1780 -1792 2078 O +ATOM 1399 CB LYS A 179 -6.926 60.763 -5.301 1.00 84.79 C +ANISOU 1399 CB LYS A 179 9489 12096 10632 1785 -1146 1868 C +ATOM 1400 CG LYS A 179 -5.890 60.687 -4.190 1.00 82.75 C +ANISOU 1400 CG LYS A 179 9419 11513 10508 1647 -888 1638 C +ATOM 1401 CD LYS A 179 -6.301 61.529 -2.992 1.00 86.46 C +ANISOU 1401 CD LYS A 179 9797 11826 11228 1855 -660 1667 C +ATOM 1402 CE LYS A 179 -5.158 61.685 -2.003 1.00 87.24 C +ANISOU 1402 CE LYS A 179 10128 11594 11427 1745 -400 1457 C +ATOM 1403 NZ LYS A 179 -5.625 62.242 -0.703 1.00 87.20 N +ANISOU 1403 NZ LYS A 179 10009 11478 11645 1885 -193 1430 N +ATOM 1404 N LYS A 180 -9.295 61.488 -6.753 1.00 99.58 N +ANISOU 1404 N LYS A 180 10868 14577 12390 2237 -1553 2376 N +ATOM 1405 CA LYS A 180 -10.235 61.682 -7.849 1.00105.80 C +ANISOU 1405 CA LYS A 180 11465 15716 13020 2412 -1825 2624 C +ATOM 1406 C LYS A 180 -10.055 60.651 -8.961 1.00103.40 C +ANISOU 1406 C LYS A 180 11199 15674 12414 2130 -2110 2538 C +ATOM 1407 O LYS A 180 -11.023 60.249 -9.606 1.00106.93 O +ANISOU 1407 O LYS A 180 11369 16523 12738 2125 -2397 2626 O +ATOM 1408 CB LYS A 180 -10.087 63.094 -8.422 1.00114.12 C +ANISOU 1408 CB LYS A 180 12714 16598 14048 2787 -1720 2916 C +ATOM 1409 CG LYS A 180 -8.663 63.449 -8.821 1.00116.28 C +ANISOU 1409 CG LYS A 180 13451 16520 14209 2708 -1545 2863 C +ATOM 1410 CD LYS A 180 -8.575 64.852 -9.395 1.00120.49 C +ANISOU 1410 CD LYS A 180 14187 16871 14724 3074 -1423 3168 C +ATOM 1411 CE LYS A 180 -7.147 65.190 -9.792 1.00118.82 C +ANISOU 1411 CE LYS A 180 14427 16313 14408 2966 -1231 3105 C +ATOM 1412 NZ LYS A 180 -7.027 66.580 -10.310 1.00121.26 N +ANISOU 1412 NZ LYS A 180 14964 16398 14712 3309 -1073 3404 N +ATOM 1413 N ASP A 181 -8.816 60.222 -9.180 1.00100.17 N +ANISOU 1413 N ASP A 181 11127 15046 11888 1891 -2026 2356 N +ATOM 1414 CA ASP A 181 -8.499 59.375 -10.324 1.00100.65 C +ANISOU 1414 CA ASP A 181 11295 15302 11644 1647 -2253 2278 C +ATOM 1415 C ASP A 181 -7.637 58.168 -9.966 1.00 90.95 C +ANISOU 1415 C ASP A 181 10205 13951 10402 1258 -2200 1945 C +ATOM 1416 O ASP A 181 -7.310 57.359 -10.834 1.00 87.78 O +ANISOU 1416 O ASP A 181 9910 13679 9763 1026 -2358 1837 O +ATOM 1417 CB ASP A 181 -7.796 60.196 -11.405 1.00107.49 C +ANISOU 1417 CB ASP A 181 12492 16051 12299 1802 -2223 2458 C +ATOM 1418 CG ASP A 181 -6.515 60.834 -10.908 1.00111.92 C +ANISOU 1418 CG ASP A 181 13403 16144 12977 1826 -1885 2390 C +ATOM 1419 OD1 ASP A 181 -6.393 61.050 -9.683 1.00112.83 O +ANISOU 1419 OD1 ASP A 181 13474 16034 13363 1852 -1669 2292 O +ATOM 1420 OD2 ASP A 181 -5.628 61.117 -11.741 1.00113.78 O +ANISOU 1420 OD2 ASP A 181 13956 16250 13027 1808 -1832 2428 O +ATOM 1421 N LYS A 182 -7.255 58.046 -8.698 1.00 84.60 N +ANISOU 1421 N LYS A 182 9409 12894 9840 1194 -1973 1786 N +ATOM 1422 CA LYS A 182 -6.339 56.981 -8.307 1.00 81.63 C +ANISOU 1422 CA LYS A 182 9189 12367 9460 868 -1898 1496 C +ATOM 1423 C LYS A 182 -6.570 56.457 -6.894 1.00 81.47 C +ANISOU 1423 C LYS A 182 9001 12269 9685 765 -1776 1337 C +ATOM 1424 O LYS A 182 -7.141 57.142 -6.046 1.00 81.89 O +ANISOU 1424 O LYS A 182 8894 12280 9941 966 -1660 1431 O +ATOM 1425 CB LYS A 182 -4.893 57.465 -8.422 1.00 79.70 C +ANISOU 1425 CB LYS A 182 9326 11776 9179 874 -1682 1444 C +ATOM 1426 CG LYS A 182 -4.561 58.616 -7.487 1.00 80.95 C +ANISOU 1426 CG LYS A 182 9561 11634 9564 1100 -1405 1512 C +ATOM 1427 CD LYS A 182 -3.128 59.080 -7.664 1.00 85.90 C +ANISOU 1427 CD LYS A 182 10547 11941 10151 1074 -1199 1448 C +ATOM 1428 CE LYS A 182 -2.852 60.340 -6.860 1.00 91.28 C +ANISOU 1428 CE LYS A 182 11314 12330 11040 1297 -929 1523 C +ATOM 1429 NZ LYS A 182 -1.399 60.665 -6.825 1.00 90.71 N +ANISOU 1429 NZ LYS A 182 11556 11945 10963 1211 -711 1403 N +ATOM 1430 N ILE A 183 -6.119 55.229 -6.660 1.00 78.39 N +ANISOU 1430 N ILE A 183 8663 11854 9266 457 -1792 1098 N +ATOM 1431 CA ILE A 183 -6.086 54.654 -5.323 1.00 69.11 C +ANISOU 1431 CA ILE A 183 7407 10559 8293 337 -1649 936 C +ATOM 1432 C ILE A 183 -4.644 54.600 -4.833 1.00 65.29 C +ANISOU 1432 C ILE A 183 7231 9739 7839 262 -1436 780 C +ATOM 1433 O ILE A 183 -3.763 54.111 -5.539 1.00 62.97 O +ANISOU 1433 O ILE A 183 7156 9381 7389 113 -1466 679 O +ATOM 1434 CB ILE A 183 -6.690 53.240 -5.292 1.00 62.75 C +ANISOU 1434 CB ILE A 183 6421 9962 7458 44 -1807 787 C +ATOM 1435 CG1 ILE A 183 -8.060 53.228 -5.968 1.00 63.29 C +ANISOU 1435 CG1 ILE A 183 6175 10411 7462 80 -2054 922 C +ATOM 1436 CG2 ILE A 183 -6.794 52.733 -3.861 1.00 60.72 C +ANISOU 1436 CG2 ILE A 183 6069 9591 7412 -46 -1647 664 C +ATOM 1437 CD1 ILE A 183 -8.633 51.845 -6.142 1.00 61.99 C +ANISOU 1437 CD1 ILE A 183 5850 10464 7240 -246 -2224 762 C +ATOM 1438 N ILE A 184 -4.405 55.101 -3.627 1.00 67.15 N +ANISOU 1438 N ILE A 184 7472 9773 8268 363 -1222 755 N +ATOM 1439 CA ILE A 184 -3.063 55.087 -3.055 1.00 66.79 C +ANISOU 1439 CA ILE A 184 7681 9437 8259 297 -1028 603 C +ATOM 1440 C ILE A 184 -2.988 54.135 -1.869 1.00 63.28 C +ANISOU 1440 C ILE A 184 7173 8944 7927 129 -957 430 C +ATOM 1441 O ILE A 184 -3.722 54.286 -0.895 1.00 66.12 O +ANISOU 1441 O ILE A 184 7349 9338 8434 198 -889 457 O +ATOM 1442 CB ILE A 184 -2.625 56.492 -2.603 1.00 68.17 C +ANISOU 1442 CB ILE A 184 7969 9387 8544 533 -816 687 C +ATOM 1443 CG1 ILE A 184 -2.560 57.441 -3.801 1.00 74.73 C +ANISOU 1443 CG1 ILE A 184 8916 10221 9257 701 -857 870 C +ATOM 1444 CG2 ILE A 184 -1.279 56.429 -1.898 1.00 65.81 C +ANISOU 1444 CG2 ILE A 184 7888 8826 8292 440 -628 507 C +ATOM 1445 CD1 ILE A 184 -2.144 58.850 -3.442 1.00 77.50 C +ANISOU 1445 CD1 ILE A 184 9404 10323 9721 925 -632 958 C +ATOM 1446 N GLY A 185 -2.091 53.158 -1.955 1.00 58.54 N +ANISOU 1446 N GLY A 185 6732 8260 7251 -79 -960 262 N +ATOM 1447 CA GLY A 185 -1.911 52.200 -0.882 1.00 55.61 C +ANISOU 1447 CA GLY A 185 6338 7824 6966 -231 -890 113 C +ATOM 1448 C GLY A 185 -0.591 52.397 -0.169 1.00 56.14 C +ANISOU 1448 C GLY A 185 6611 7643 7076 -218 -707 -1 C +ATOM 1449 O GLY A 185 0.446 52.585 -0.804 1.00 57.23 O +ANISOU 1449 O GLY A 185 6948 7668 7127 -228 -680 -45 O +ATOM 1450 N LYS A 186 -0.631 52.356 1.159 1.00 52.83 N +ANISOU 1450 N LYS A 186 6136 7154 6784 -200 -582 -51 N +ATOM 1451 CA LYS A 186 0.558 52.577 1.972 1.00 51.02 C +ANISOU 1451 CA LYS A 186 6069 6723 6592 -184 -421 -162 C +ATOM 1452 C LYS A 186 0.651 51.563 3.104 1.00 54.47 C +ANISOU 1452 C LYS A 186 6480 7139 7076 -300 -375 -268 C +ATOM 1453 O LYS A 186 -0.346 51.259 3.757 1.00 54.99 O +ANISOU 1453 O LYS A 186 6379 7305 7211 -314 -377 -228 O +ATOM 1454 CB LYS A 186 0.555 53.995 2.547 1.00 50.94 C +ANISOU 1454 CB LYS A 186 6058 6617 6679 15 -269 -102 C +ATOM 1455 CG LYS A 186 1.051 55.067 1.591 1.00 53.87 C +ANISOU 1455 CG LYS A 186 6561 6903 7005 127 -242 -32 C +ATOM 1456 CD LYS A 186 0.588 56.446 2.039 1.00 57.59 C +ANISOU 1456 CD LYS A 186 6990 7303 7588 340 -108 70 C +ATOM 1457 CE LYS A 186 1.445 56.977 3.177 1.00 60.79 C +ANISOU 1457 CE LYS A 186 7500 7522 8075 356 91 -61 C +ATOM 1458 NZ LYS A 186 1.179 58.417 3.446 1.00 65.87 N +ANISOU 1458 NZ LYS A 186 8163 8045 8821 553 249 17 N +ATOM 1459 N SER A 187 1.851 51.041 3.331 1.00 51.20 N +ANISOU 1459 N SER A 187 6229 6601 6624 -377 -329 -393 N +ATOM 1460 CA SER A 187 2.105 50.206 4.497 1.00 45.89 C +ANISOU 1460 CA SER A 187 5564 5886 5986 -448 -267 -476 C +ATOM 1461 C SER A 187 1.981 51.041 5.767 1.00 46.40 C +ANISOU 1461 C SER A 187 5578 5916 6136 -326 -126 -469 C +ATOM 1462 O SER A 187 2.407 52.195 5.800 1.00 53.02 O +ANISOU 1462 O SER A 187 6468 6681 6998 -208 -42 -471 O +ATOM 1463 CB SER A 187 3.490 49.563 4.413 1.00 41.57 C +ANISOU 1463 CB SER A 187 5194 5221 5378 -518 -251 -599 C +ATOM 1464 OG SER A 187 3.801 48.860 5.603 1.00 38.22 O +ANISOU 1464 OG SER A 187 4787 4756 4980 -549 -188 -658 O +ATOM 1465 N LEU A 188 1.393 50.460 6.807 1.00 44.33 N +ANISOU 1465 N LEU A 188 5228 5700 5914 -363 -86 -468 N +ATOM 1466 CA LEU A 188 1.256 51.154 8.082 1.00 46.40 C +ANISOU 1466 CA LEU A 188 5453 5940 6235 -260 57 -477 C +ATOM 1467 C LEU A 188 2.463 50.922 8.985 1.00 49.55 C +ANISOU 1467 C LEU A 188 5994 6244 6589 -276 130 -594 C +ATOM 1468 O LEU A 188 2.560 51.510 10.062 1.00 49.40 O +ANISOU 1468 O LEU A 188 5977 6205 6589 -204 247 -632 O +ATOM 1469 CB LEU A 188 -0.026 50.720 8.796 1.00 48.04 C +ANISOU 1469 CB LEU A 188 5489 6262 6501 -286 83 -408 C +ATOM 1470 CG LEU A 188 -1.330 51.181 8.143 1.00 43.11 C +ANISOU 1470 CG LEU A 188 4669 5767 5942 -231 29 -287 C +ATOM 1471 CD1 LEU A 188 -2.532 50.617 8.883 1.00 49.30 C +ANISOU 1471 CD1 LEU A 188 5267 6675 6791 -285 66 -236 C +ATOM 1472 CD2 LEU A 188 -1.391 52.701 8.086 1.00 35.31 C +ANISOU 1472 CD2 LEU A 188 3671 4737 5010 -33 115 -242 C +ATOM 1473 N ASP A 189 3.376 50.062 8.544 1.00 52.36 N +ANISOU 1473 N ASP A 189 6462 6551 6880 -365 60 -656 N +ATOM 1474 CA ASP A 189 4.573 49.742 9.318 1.00 50.38 C +ANISOU 1474 CA ASP A 189 6326 6236 6582 -369 105 -758 C +ATOM 1475 C ASP A 189 5.753 50.598 8.864 1.00 44.81 C +ANISOU 1475 C ASP A 189 5713 5452 5860 -322 130 -842 C +ATOM 1476 O ASP A 189 6.315 50.367 7.793 1.00 43.72 O +ANISOU 1476 O ASP A 189 5640 5278 5694 -363 67 -861 O +ATOM 1477 CB ASP A 189 4.917 48.255 9.189 1.00 53.39 C +ANISOU 1477 CB ASP A 189 6771 6597 6916 -474 36 -772 C +ATOM 1478 CG ASP A 189 5.944 47.799 10.214 1.00 52.00 C +ANISOU 1478 CG ASP A 189 6682 6385 6691 -450 78 -841 C +ATOM 1479 OD1 ASP A 189 6.465 48.648 10.968 1.00 47.51 O +ANISOU 1479 OD1 ASP A 189 6119 5822 6110 -373 146 -899 O +ATOM 1480 OD2 ASP A 189 6.232 46.584 10.264 1.00 55.75 O +ANISOU 1480 OD2 ASP A 189 7220 6827 7136 -508 43 -839 O +ATOM 1481 N PRO A 190 6.131 51.592 9.684 1.00 42.79 N +ANISOU 1481 N PRO A 190 5469 5171 5620 -248 234 -904 N +ATOM 1482 CA PRO A 190 7.245 52.496 9.372 1.00 43.88 C +ANISOU 1482 CA PRO A 190 5686 5229 5756 -225 283 -999 C +ATOM 1483 C PRO A 190 8.586 51.770 9.307 1.00 47.00 C +ANISOU 1483 C PRO A 190 6155 5609 6093 -280 239 -1099 C +ATOM 1484 O PRO A 190 9.545 52.306 8.753 1.00 57.26 O +ANISOU 1484 O PRO A 190 7510 6852 7394 -289 264 -1174 O +ATOM 1485 CB PRO A 190 7.223 53.499 10.529 1.00 36.11 C +ANISOU 1485 CB PRO A 190 4690 4235 4796 -162 409 -1063 C +ATOM 1486 CG PRO A 190 6.545 52.786 11.639 1.00 42.32 C +ANISOU 1486 CG PRO A 190 5419 5106 5555 -162 413 -1030 C +ATOM 1487 CD PRO A 190 5.542 51.873 11.004 1.00 41.69 C +ANISOU 1487 CD PRO A 190 5272 5075 5494 -200 324 -902 C +ATOM 1488 N ARG A 191 8.649 50.569 9.875 1.00 44.01 N +ANISOU 1488 N ARG A 191 5775 5274 5671 -310 187 -1092 N +ATOM 1489 CA ARG A 191 9.870 49.772 9.851 1.00 46.38 C +ANISOU 1489 CA ARG A 191 6135 5564 5924 -332 145 -1167 C +ATOM 1490 C ARG A 191 10.220 49.302 8.442 1.00 51.22 C +ANISOU 1490 C ARG A 191 6800 6124 6538 -382 88 -1163 C +ATOM 1491 O ARG A 191 11.372 48.979 8.158 1.00 57.68 O +ANISOU 1491 O ARG A 191 7663 6918 7336 -387 80 -1242 O +ATOM 1492 CB ARG A 191 9.739 48.560 10.779 1.00 42.32 C +ANISOU 1492 CB ARG A 191 5625 5090 5364 -332 113 -1130 C +ATOM 1493 CG ARG A 191 9.572 48.904 12.250 1.00 45.34 C +ANISOU 1493 CG ARG A 191 5977 5541 5709 -283 170 -1144 C +ATOM 1494 CD ARG A 191 9.512 47.645 13.101 1.00 43.77 C +ANISOU 1494 CD ARG A 191 5808 5375 5449 -277 145 -1085 C +ATOM 1495 NE ARG A 191 8.454 46.741 12.659 1.00 45.05 N +ANISOU 1495 NE ARG A 191 5969 5502 5647 -340 124 -973 N +ATOM 1496 CZ ARG A 191 8.346 45.472 13.040 1.00 45.83 C +ANISOU 1496 CZ ARG A 191 6120 5577 5715 -361 109 -906 C +ATOM 1497 NH1 ARG A 191 9.238 44.949 13.872 1.00 51.51 N +ANISOU 1497 NH1 ARG A 191 6899 6313 6360 -294 104 -920 N +ATOM 1498 NH2 ARG A 191 7.350 44.725 12.586 1.00 43.41 N +ANISOU 1498 NH2 ARG A 191 5808 5234 5453 -450 101 -824 N +ATOM 1499 N GLU A 192 9.226 49.272 7.560 1.00 50.11 N +ANISOU 1499 N GLU A 192 6646 5980 6413 -417 50 -1075 N +ATOM 1500 CA GLU A 192 9.429 48.767 6.206 1.00 46.87 C +ANISOU 1500 CA GLU A 192 6298 5536 5976 -477 -9 -1073 C +ATOM 1501 C GLU A 192 10.040 49.826 5.291 1.00 48.07 C +ANISOU 1501 C GLU A 192 6493 5647 6126 -461 33 -1107 C +ATOM 1502 O GLU A 192 10.433 49.531 4.163 1.00 56.93 O +ANISOU 1502 O GLU A 192 7683 6740 7206 -506 5 -1123 O +ATOM 1503 CB GLU A 192 8.109 48.251 5.629 1.00 46.95 C +ANISOU 1503 CB GLU A 192 6267 5589 5981 -538 -85 -973 C +ATOM 1504 CG GLU A 192 7.710 46.884 6.173 1.00 48.65 C +ANISOU 1504 CG GLU A 192 6482 5809 6194 -602 -118 -955 C +ATOM 1505 CD GLU A 192 6.414 46.365 5.580 1.00 52.09 C +ANISOU 1505 CD GLU A 192 6862 6299 6632 -697 -192 -880 C +ATOM 1506 OE1 GLU A 192 6.155 45.147 5.691 1.00 54.77 O +ANISOU 1506 OE1 GLU A 192 7230 6614 6967 -788 -216 -881 O +ATOM 1507 OE2 GLU A 192 5.652 47.172 5.010 1.00 53.69 O +ANISOU 1507 OE2 GLU A 192 6988 6571 6842 -682 -224 -818 O +ATOM 1508 N GLY A 193 10.116 51.059 5.783 1.00 47.87 N +ANISOU 1508 N GLY A 193 6440 5607 6140 -403 115 -1122 N +ATOM 1509 CA GLY A 193 10.858 52.106 5.105 1.00 48.33 C +ANISOU 1509 CA GLY A 193 6556 5600 6209 -395 190 -1167 C +ATOM 1510 C GLY A 193 10.076 52.956 4.121 1.00 48.09 C +ANISOU 1510 C GLY A 193 6547 5545 6181 -366 197 -1055 C +ATOM 1511 O GLY A 193 10.667 53.656 3.299 1.00 50.06 O +ANISOU 1511 O GLY A 193 6873 5728 6419 -371 256 -1068 O +ATOM 1512 N GLY A 194 8.752 52.899 4.196 1.00 45.52 N +ANISOU 1512 N GLY A 194 6148 5280 5867 -331 140 -938 N +ATOM 1513 CA GLY A 194 7.917 53.714 3.332 1.00 40.71 C +ANISOU 1513 CA GLY A 194 5536 4673 5258 -271 131 -810 C +ATOM 1514 C GLY A 194 7.534 53.017 2.043 1.00 43.06 C +ANISOU 1514 C GLY A 194 5858 5037 5465 -328 5 -741 C +ATOM 1515 O GLY A 194 7.753 53.543 0.951 1.00 47.46 O +ANISOU 1515 O GLY A 194 6499 5567 5967 -317 11 -695 O +ATOM 1516 N LEU A 195 6.958 51.828 2.167 1.00 42.88 N +ANISOU 1516 N LEU A 195 5774 5101 5419 -401 -101 -738 N +ATOM 1517 CA LEU A 195 6.513 51.076 1.004 1.00 42.11 C +ANISOU 1517 CA LEU A 195 5694 5078 5226 -483 -227 -699 C +ATOM 1518 C LEU A 195 5.114 51.535 0.616 1.00 45.62 C +ANISOU 1518 C LEU A 195 6022 5642 5671 -430 -311 -549 C +ATOM 1519 O LEU A 195 4.247 51.703 1.475 1.00 45.75 O +ANISOU 1519 O LEU A 195 5903 5709 5770 -378 -301 -496 O +ATOM 1520 CB LEU A 195 6.535 49.575 1.290 1.00 44.53 C +ANISOU 1520 CB LEU A 195 5998 5404 5517 -603 -288 -775 C +ATOM 1521 CG LEU A 195 7.894 49.028 1.735 1.00 46.61 C +ANISOU 1521 CG LEU A 195 6358 5565 5788 -625 -214 -907 C +ATOM 1522 CD1 LEU A 195 7.840 47.524 1.930 1.00 44.98 C +ANISOU 1522 CD1 LEU A 195 6170 5352 5568 -724 -264 -958 C +ATOM 1523 CD2 LEU A 195 8.977 49.401 0.734 1.00 45.09 C +ANISOU 1523 CD2 LEU A 195 6288 5310 5534 -629 -169 -964 C +ATOM 1524 N TYR A 196 4.896 51.740 -0.677 1.00 44.58 N +ANISOU 1524 N TYR A 196 5935 5567 5435 -435 -391 -479 N +ATOM 1525 CA TYR A 196 3.629 52.287 -1.146 1.00 45.99 C +ANISOU 1525 CA TYR A 196 5993 5881 5600 -356 -484 -320 C +ATOM 1526 C TYR A 196 3.320 51.875 -2.579 1.00 51.63 C +ANISOU 1526 C TYR A 196 6746 6718 6152 -432 -636 -277 C +ATOM 1527 O TYR A 196 4.172 51.329 -3.278 1.00 54.54 O +ANISOU 1527 O TYR A 196 7266 7040 6418 -534 -640 -372 O +ATOM 1528 CB TYR A 196 3.638 53.814 -1.036 1.00 47.59 C +ANISOU 1528 CB TYR A 196 6213 6004 5866 -173 -371 -215 C +ATOM 1529 CG TYR A 196 4.540 54.500 -2.040 1.00 48.02 C +ANISOU 1529 CG TYR A 196 6452 5961 5832 -145 -312 -198 C +ATOM 1530 CD1 TYR A 196 5.911 54.575 -1.832 1.00 46.38 C +ANISOU 1530 CD1 TYR A 196 6386 5597 5638 -196 -179 -333 C +ATOM 1531 CD2 TYR A 196 4.019 55.078 -3.192 1.00 46.17 C +ANISOU 1531 CD2 TYR A 196 6245 5804 5495 -66 -387 -41 C +ATOM 1532 CE1 TYR A 196 6.740 55.201 -2.745 1.00 45.97 C +ANISOU 1532 CE1 TYR A 196 6498 5455 5512 -186 -102 -320 C +ATOM 1533 CE2 TYR A 196 4.841 55.707 -4.111 1.00 46.17 C +ANISOU 1533 CE2 TYR A 196 6432 5708 5403 -44 -314 -13 C +ATOM 1534 CZ TYR A 196 6.200 55.765 -3.882 1.00 46.96 C +ANISOU 1534 CZ TYR A 196 6672 5640 5531 -113 -161 -157 C +ATOM 1535 OH TYR A 196 7.023 56.390 -4.791 1.00 44.58 O +ANISOU 1535 OH TYR A 196 6552 5242 5146 -107 -67 -132 O +ATOM 1536 N GLY A 197 2.090 52.138 -3.007 1.00 54.85 N +ANISOU 1536 N GLY A 197 7009 7298 6532 -378 -762 -138 N +ATOM 1537 CA GLY A 197 1.678 51.855 -4.368 1.00 55.32 C +ANISOU 1537 CA GLY A 197 7088 7516 6415 -440 -928 -85 C +ATOM 1538 C GLY A 197 0.683 52.873 -4.886 1.00 56.09 C +ANISOU 1538 C GLY A 197 7071 7757 6485 -267 -1011 125 C +ATOM 1539 O GLY A 197 0.118 53.648 -4.116 1.00 55.63 O +ANISOU 1539 O GLY A 197 6882 7684 6569 -109 -945 223 O +ATOM 1540 N GLU A 198 0.467 52.869 -6.196 1.00 59.96 N +ANISOU 1540 N GLU A 198 7612 8388 6783 -287 -1154 196 N +ATOM 1541 CA GLU A 198 -0.459 53.802 -6.823 1.00 61.11 C +ANISOU 1541 CA GLU A 198 7655 8693 6872 -104 -1256 419 C +ATOM 1542 C GLU A 198 -1.041 53.221 -8.102 1.00 61.42 C +ANISOU 1542 C GLU A 198 7665 8993 6680 -210 -1494 449 C +ATOM 1543 O GLU A 198 -0.313 52.703 -8.952 1.00 60.81 O +ANISOU 1543 O GLU A 198 7781 8896 6427 -349 -1518 350 O +ATOM 1544 CB GLU A 198 0.240 55.128 -7.122 1.00 67.75 C +ANISOU 1544 CB GLU A 198 8681 9355 7706 91 -1102 541 C +ATOM 1545 CG GLU A 198 -0.701 56.253 -7.502 1.00 80.89 C +ANISOU 1545 CG GLU A 198 10243 11127 9364 341 -1158 800 C +ATOM 1546 CD GLU A 198 -0.005 57.597 -7.550 1.00 89.36 C +ANISOU 1546 CD GLU A 198 11511 11959 10484 533 -951 913 C +ATOM 1547 OE1 GLU A 198 -0.107 58.282 -8.589 1.00 94.93 O +ANISOU 1547 OE1 GLU A 198 12318 12710 11042 661 -995 1096 O +ATOM 1548 OE2 GLU A 198 0.634 57.974 -6.545 1.00 89.11 O +ANISOU 1548 OE2 GLU A 198 11536 11693 10629 551 -741 819 O +ATOM 1549 N VAL A 199 -2.361 53.301 -8.229 1.00 62.17 N +ANISOU 1549 N VAL A 199 7507 9344 6772 -148 -1669 578 N +ATOM 1550 CA VAL A 199 -3.048 52.775 -9.400 1.00 64.71 C +ANISOU 1550 CA VAL A 199 7758 9962 6866 -254 -1924 605 C +ATOM 1551 C VAL A 199 -4.141 53.728 -9.861 1.00 67.79 C +ANISOU 1551 C VAL A 199 7958 10584 7214 -16 -2066 868 C +ATOM 1552 O VAL A 199 -5.058 54.045 -9.102 1.00 69.08 O +ANISOU 1552 O VAL A 199 7860 10830 7558 107 -2073 959 O +ATOM 1553 CB VAL A 199 -3.684 51.394 -9.123 1.00 68.38 C +ANISOU 1553 CB VAL A 199 8047 10582 7352 -525 -2053 429 C +ATOM 1554 CG1 VAL A 199 -4.592 50.982 -10.279 1.00 54.91 C +ANISOU 1554 CG1 VAL A 199 6214 9229 5420 -629 -2337 465 C +ATOM 1555 CG2 VAL A 199 -2.612 50.345 -8.886 1.00 49.13 C +ANISOU 1555 CG2 VAL A 199 5822 7930 4917 -755 -1935 183 C +ATOM 1556 N LYS A 200 -4.040 54.183 -11.107 1.00 72.21 N +ANISOU 1556 N LYS A 200 8650 11254 7533 62 -2174 998 N +ATOM 1557 CA LYS A 200 -5.072 55.037 -11.692 1.00 77.79 C +ANISOU 1557 CA LYS A 200 9185 12211 8160 304 -2339 1269 C +ATOM 1558 C LYS A 200 -6.327 54.234 -12.009 1.00 80.75 C +ANISOU 1558 C LYS A 200 9243 12983 8454 168 -2630 1248 C +ATOM 1559 O LYS A 200 -6.259 53.129 -12.549 1.00 84.38 O +ANISOU 1559 O LYS A 200 9737 13575 8750 -120 -2766 1060 O +ATOM 1560 CB LYS A 200 -4.562 55.756 -12.945 1.00 81.58 C +ANISOU 1560 CB LYS A 200 9922 12693 8380 430 -2364 1431 C +ATOM 1561 CG LYS A 200 -3.813 57.046 -12.639 1.00 86.74 C +ANISOU 1561 CG LYS A 200 10787 13018 9154 683 -2095 1577 C +ATOM 1562 CD LYS A 200 -2.443 56.833 -11.990 1.00 90.58 C +ANISOU 1562 CD LYS A 200 11513 13140 9763 541 -1825 1360 C +ATOM 1563 CE LYS A 200 -1.785 58.176 -11.661 1.00 94.69 C +ANISOU 1563 CE LYS A 200 12217 13347 10414 775 -1559 1497 C +ATOM 1564 NZ LYS A 200 -0.508 58.011 -10.910 1.00 90.26 N +ANISOU 1564 NZ LYS A 200 11836 12464 9994 639 -1306 1279 N +ATOM 1565 N THR A 201 -7.475 54.810 -11.674 1.00 78.43 N +ANISOU 1565 N THR A 201 8638 12880 8282 377 -2716 1435 N +ATOM 1566 CA THR A 201 -8.759 54.169 -11.924 1.00 81.82 C +ANISOU 1566 CA THR A 201 8710 13717 8659 268 -2993 1432 C +ATOM 1567 C THR A 201 -9.901 55.181 -11.930 1.00 81.01 C +ANISOU 1567 C THR A 201 8309 13844 8628 607 -3096 1726 C +ATOM 1568 O THR A 201 -9.810 56.239 -11.308 1.00 78.36 O +ANISOU 1568 O THR A 201 7997 13295 8480 902 -2898 1887 O +ATOM 1569 CB THR A 201 -9.052 53.090 -10.864 1.00 81.44 C +ANISOU 1569 CB THR A 201 8479 13644 8819 4 -2940 1197 C +ATOM 1570 OG1 THR A 201 -10.356 52.535 -11.083 1.00 86.20 O +ANISOU 1570 OG1 THR A 201 8707 14651 9393 -108 -3196 1198 O +ATOM 1571 CG2 THR A 201 -8.998 53.703 -9.479 1.00 75.09 C +ANISOU 1571 CG2 THR A 201 7615 12581 8334 187 -2677 1240 C +ATOM 1572 N GLU A 202 -10.975 54.853 -12.642 1.00 83.38 N +ANISOU 1572 N GLU A 202 8322 14581 8776 564 -3405 1790 N +ATOM 1573 CA GLU A 202 -12.169 55.688 -12.629 1.00 86.03 C +ANISOU 1573 CA GLU A 202 8310 15187 9191 883 -3529 2064 C +ATOM 1574 C GLU A 202 -12.972 55.406 -11.371 1.00 84.26 C +ANISOU 1574 C GLU A 202 7733 14994 9289 853 -3445 1991 C +ATOM 1575 O GLU A 202 -13.347 54.264 -11.105 1.00 85.26 O +ANISOU 1575 O GLU A 202 7687 15262 9446 522 -3529 1768 O +ATOM 1576 CB GLU A 202 -13.024 55.442 -13.873 1.00 96.22 C +ANISOU 1576 CB GLU A 202 9491 16815 10253 834 -3819 2084 C +ATOM 1577 CG GLU A 202 -12.384 55.900 -15.170 1.00101.79 C +ANISOU 1577 CG GLU A 202 10532 17509 10633 924 -3897 2203 C +ATOM 1578 CD GLU A 202 -13.282 55.673 -16.366 1.00109.79 C +ANISOU 1578 CD GLU A 202 11445 18831 11439 882 -4170 2206 C +ATOM 1579 OE1 GLU A 202 -14.183 54.813 -16.276 1.00112.33 O +ANISOU 1579 OE1 GLU A 202 11490 19362 11827 662 -4306 2028 O +ATOM 1580 OE2 GLU A 202 -13.091 56.358 -17.394 1.00113.80 O +ANISOU 1580 OE2 GLU A 202 12154 19369 11716 1067 -4243 2390 O +ATOM 1581 N VAL A 203 -13.225 56.452 -10.593 1.00 82.93 N +ANISOU 1581 N VAL A 203 7476 14672 9361 1194 -3256 2174 N +ATOM 1582 CA VAL A 203 -13.932 56.313 -9.328 1.00 84.18 C +ANISOU 1582 CA VAL A 203 7327 14827 9831 1200 -3127 2118 C +ATOM 1583 C VAL A 203 -15.419 56.595 -9.474 1.00 92.91 C +ANISOU 1583 C VAL A 203 8018 16268 11016 1366 -3285 2258 C +ATOM 1584 O VAL A 203 -15.809 57.723 -9.777 1.00 96.77 O +ANISOU 1584 O VAL A 203 8486 16752 11529 1735 -3270 2503 O +ATOM 1585 CB VAL A 203 -13.356 57.254 -8.259 1.00 79.62 C +ANISOU 1585 CB VAL A 203 6928 13822 9503 1446 -2769 2171 C +ATOM 1586 CG1 VAL A 203 -14.074 57.057 -6.934 1.00 75.13 C +ANISOU 1586 CG1 VAL A 203 6057 13256 9232 1436 -2624 2098 C +ATOM 1587 CG2 VAL A 203 -11.861 57.031 -8.108 1.00 80.01 C +ANISOU 1587 CG2 VAL A 203 7433 13468 9501 1273 -2570 1989 C +ATOM 1588 N PRO A 204 -16.256 55.566 -9.271 1.00 94.81 N +ANISOU 1588 N PRO A 204 7992 16713 11318 1074 -3387 2061 N +ATOM 1589 CA PRO A 204 -17.708 55.753 -9.359 1.00100.62 C +ANISOU 1589 CA PRO A 204 8363 17707 12161 1188 -3495 2132 C +ATOM 1590 C PRO A 204 -18.215 56.758 -8.334 1.00105.89 C +ANISOU 1590 C PRO A 204 8843 18270 13121 1542 -3276 2302 C +ATOM 1591 O PRO A 204 -17.621 56.917 -7.263 1.00105.85 O +ANISOU 1591 O PRO A 204 8911 18019 13289 1582 -3028 2276 O +ATOM 1592 CB PRO A 204 -18.270 54.355 -9.078 1.00100.99 C +ANISOU 1592 CB PRO A 204 8209 17906 12256 762 -3568 1854 C +ATOM 1593 CG PRO A 204 -17.163 53.612 -8.412 1.00 96.53 C +ANISOU 1593 CG PRO A 204 7871 17099 11707 494 -3414 1664 C +ATOM 1594 CD PRO A 204 -15.895 54.171 -8.969 1.00 92.45 C +ANISOU 1594 CD PRO A 204 7734 16397 10997 621 -3395 1762 C +ATOM 1595 N GLN A 205 -19.296 57.448 -8.671 1.00113.31 N +ANISOU 1595 N GLN A 205 9551 19388 14112 1804 -3362 2471 N +ATOM 1596 CA GLN A 205 -19.879 58.431 -7.766 1.00114.88 C +ANISOU 1596 CA GLN A 205 9575 19487 14589 2152 -3148 2624 C +ATOM 1597 C GLN A 205 -21.098 57.879 -7.034 1.00112.75 C +ANISOU 1597 C GLN A 205 8891 19416 14531 2027 -3138 2508 C +ATOM 1598 O GLN A 205 -21.649 56.850 -7.415 1.00112.44 O +ANISOU 1598 O GLN A 205 8680 19627 14416 1710 -3333 2345 O +ATOM 1599 CB GLN A 205 -20.230 59.707 -8.527 1.00121.50 C +ANISOU 1599 CB GLN A 205 10453 20340 15372 2572 -3201 2910 C +ATOM 1600 CG GLN A 205 -21.111 59.506 -9.743 1.00130.32 C +ANISOU 1600 CG GLN A 205 11401 21814 16299 2541 -3529 2961 C +ATOM 1601 CD GLN A 205 -21.248 60.781 -10.556 1.00135.79 C +ANISOU 1601 CD GLN A 205 12207 22484 16903 2955 -3574 3260 C +ATOM 1602 OE1 GLN A 205 -20.397 61.669 -10.485 1.00136.27 O +ANISOU 1602 OE1 GLN A 205 12578 22235 16965 3193 -3387 3406 O +ATOM 1603 NE2 GLN A 205 -22.312 60.868 -11.344 1.00139.88 N +ANISOU 1603 NE2 GLN A 205 12482 23322 17343 3038 -3817 3351 N +ATOM 1604 N GLY A 206 -21.523 58.573 -5.985 1.00113.41 N +ANISOU 1604 N GLY A 206 8830 19376 14885 2275 -2893 2583 N +ATOM 1605 CA GLY A 206 -22.652 58.124 -5.190 1.00117.86 C +ANISOU 1605 CA GLY A 206 9012 20103 15665 2176 -2840 2480 C +ATOM 1606 C GLY A 206 -22.275 56.920 -4.346 1.00116.57 C +ANISOU 1606 C GLY A 206 8851 19877 15565 1771 -2736 2222 C +ATOM 1607 O GLY A 206 -23.103 56.055 -4.052 1.00120.36 O +ANISOU 1607 O GLY A 206 9056 20546 16128 1515 -2783 2073 O +ATOM 1608 N ILE A 207 -21.003 56.867 -3.963 1.00112.18 N +ANISOU 1608 N ILE A 207 8612 19044 14969 1711 -2588 2174 N +ATOM 1609 CA ILE A 207 -20.503 55.818 -3.085 1.00111.04 C +ANISOU 1609 CA ILE A 207 8513 18793 14885 1360 -2459 1950 C +ATOM 1610 C ILE A 207 -19.858 56.428 -1.846 1.00106.75 C +ANISOU 1610 C ILE A 207 8094 17941 14526 1544 -2123 1981 C +ATOM 1611 O ILE A 207 -19.289 57.519 -1.900 1.00105.85 O +ANISOU 1611 O ILE A 207 8176 17627 14417 1873 -2015 2142 O +ATOM 1612 CB ILE A 207 -19.476 54.907 -3.798 1.00110.50 C +ANISOU 1612 CB ILE A 207 8722 18692 14570 1029 -2616 1810 C +ATOM 1613 CG1 ILE A 207 -18.261 55.719 -4.255 1.00108.13 C +ANISOU 1613 CG1 ILE A 207 8774 18179 14132 1250 -2590 1947 C +ATOM 1614 CG2 ILE A 207 -20.121 54.192 -4.978 1.00115.29 C +ANISOU 1614 CG2 ILE A 207 9225 19587 14992 807 -2926 1736 C +ATOM 1615 CD1 ILE A 207 -17.112 54.874 -4.765 1.00104.77 C +ANISOU 1615 CD1 ILE A 207 8646 17676 13486 937 -2688 1797 C +ATOM 1616 N LYS A 208 -19.958 55.724 -0.725 1.00104.93 N +ANISOU 1616 N LYS A 208 7764 17659 14446 1327 -1945 1821 N +ATOM 1617 CA LYS A 208 -19.263 56.126 0.490 1.00105.00 C +ANISOU 1617 CA LYS A 208 7912 17379 14606 1441 -1624 1810 C +ATOM 1618 C LYS A 208 -18.365 54.995 0.967 1.00 95.42 C +ANISOU 1618 C LYS A 208 6961 15969 13324 1043 -1552 1569 C +ATOM 1619 O LYS A 208 -18.765 53.832 0.956 1.00 94.90 O +ANISOU 1619 O LYS A 208 6730 16090 13236 696 -1659 1434 O +ATOM 1620 CB LYS A 208 -20.261 56.516 1.583 1.00115.95 C +ANISOU 1620 CB LYS A 208 9045 18769 16242 1594 -1389 1820 C +ATOM 1621 CG LYS A 208 -19.636 57.218 2.781 1.00121.56 C +ANISOU 1621 CG LYS A 208 9921 19164 17102 1795 -1036 1828 C +ATOM 1622 CD LYS A 208 -18.855 58.452 2.362 1.00124.01 C +ANISOU 1622 CD LYS A 208 10543 19211 17364 2135 -976 1970 C +ATOM 1623 CE LYS A 208 -18.211 59.126 3.562 1.00121.01 C +ANISOU 1623 CE LYS A 208 10439 18431 17109 2268 -606 1894 C +ATOM 1624 NZ LYS A 208 -17.146 58.277 4.162 1.00114.48 N +ANISOU 1624 NZ LYS A 208 9943 17361 16193 1924 -512 1654 N +ATOM 1625 N TRP A 209 -17.151 55.331 1.389 1.00 86.64 N +ANISOU 1625 N TRP A 209 6282 14457 12180 1085 -1359 1500 N +ATOM 1626 CA TRP A 209 -16.228 54.304 1.847 1.00 79.04 C +ANISOU 1626 CA TRP A 209 5609 13275 11149 741 -1282 1276 C +ATOM 1627 C TRP A 209 -15.633 54.642 3.206 1.00 69.72 C +ANISOU 1627 C TRP A 209 4639 11761 10090 812 -949 1196 C +ATOM 1628 O TRP A 209 -15.486 55.810 3.568 1.00 65.09 O +ANISOU 1628 O TRP A 209 4131 11013 9589 1127 -780 1293 O +ATOM 1629 CB TRP A 209 -15.114 54.076 0.818 1.00 81.88 C +ANISOU 1629 CB TRP A 209 6324 13506 11280 628 -1437 1224 C +ATOM 1630 CG TRP A 209 -14.282 55.283 0.505 1.00 78.39 C +ANISOU 1630 CG TRP A 209 6173 12820 10792 926 -1356 1335 C +ATOM 1631 CD1 TRP A 209 -14.564 56.261 -0.404 1.00 80.09 C +ANISOU 1631 CD1 TRP A 209 6335 13140 10954 1216 -1475 1545 C +ATOM 1632 CD2 TRP A 209 -13.019 55.630 1.087 1.00 75.20 C +ANISOU 1632 CD2 TRP A 209 6159 12026 10386 953 -1137 1243 C +ATOM 1633 NE1 TRP A 209 -13.561 57.199 -0.418 1.00 75.52 N +ANISOU 1633 NE1 TRP A 209 6106 12236 10353 1411 -1321 1588 N +ATOM 1634 CE2 TRP A 209 -12.600 56.835 0.488 1.00 75.09 C +ANISOU 1634 CE2 TRP A 209 6315 11884 10331 1245 -1117 1394 C +ATOM 1635 CE3 TRP A 209 -12.205 55.041 2.059 1.00 76.95 C +ANISOU 1635 CE3 TRP A 209 6599 12004 10634 761 -957 1053 C +ATOM 1636 CZ2 TRP A 209 -11.403 57.462 0.830 1.00 75.66 C +ANISOU 1636 CZ2 TRP A 209 6754 11596 10399 1321 -918 1340 C +ATOM 1637 CZ3 TRP A 209 -11.015 55.665 2.397 1.00 73.77 C +ANISOU 1637 CZ3 TRP A 209 6544 11271 10215 854 -782 1004 C +ATOM 1638 CH2 TRP A 209 -10.626 56.863 1.783 1.00 72.01 C +ANISOU 1638 CH2 TRP A 209 6471 10928 9962 1118 -761 1137 C +ATOM 1639 N GLU A 210 -15.299 53.596 3.954 1.00 67.68 N +ANISOU 1639 N GLU A 210 4479 11403 9833 513 -855 1018 N +ATOM 1640 CA GLU A 210 -14.762 53.735 5.297 1.00 65.27 C +ANISOU 1640 CA GLU A 210 4362 10824 9612 536 -560 927 C +ATOM 1641 C GLU A 210 -13.637 52.730 5.507 1.00 63.87 C +ANISOU 1641 C GLU A 210 4518 10437 9314 246 -545 749 C +ATOM 1642 O GLU A 210 -13.678 51.623 4.971 1.00 66.23 O +ANISOU 1642 O GLU A 210 4795 10841 9528 -38 -708 672 O +ATOM 1643 CB GLU A 210 -15.874 53.530 6.329 1.00 71.17 C +ANISOU 1643 CB GLU A 210 4785 11721 10535 521 -401 931 C +ATOM 1644 CG GLU A 210 -15.553 54.011 7.732 1.00 78.32 C +ANISOU 1644 CG GLU A 210 5834 12389 11534 638 -78 879 C +ATOM 1645 CD GLU A 210 -16.745 53.891 8.664 1.00 83.04 C +ANISOU 1645 CD GLU A 210 6089 13161 12301 648 88 900 C +ATOM 1646 OE1 GLU A 210 -17.855 53.598 8.172 1.00 85.40 O +ANISOU 1646 OE1 GLU A 210 6007 13774 12669 604 -50 974 O +ATOM 1647 OE2 GLU A 210 -16.573 54.090 9.885 1.00 84.71 O +ANISOU 1647 OE2 GLU A 210 6406 13211 12570 692 358 838 O +ATOM 1648 N LEU A 211 -12.630 53.118 6.281 1.00 62.73 N +ANISOU 1648 N LEU A 211 4677 9997 9162 319 -349 680 N +ATOM 1649 CA LEU A 211 -11.523 52.222 6.586 1.00 51.04 C +ANISOU 1649 CA LEU A 211 3501 8315 7576 85 -320 523 C +ATOM 1650 C LEU A 211 -11.374 52.056 8.095 1.00 49.98 C +ANISOU 1650 C LEU A 211 3437 8043 7512 58 -66 444 C +ATOM 1651 O LEU A 211 -11.247 53.039 8.824 1.00 55.03 O +ANISOU 1651 O LEU A 211 4127 8565 8215 276 120 463 O +ATOM 1652 CB LEU A 211 -10.225 52.751 5.970 1.00 54.97 C +ANISOU 1652 CB LEU A 211 4331 8599 7955 169 -358 500 C +ATOM 1653 CG LEU A 211 -8.985 51.860 6.049 1.00 59.20 C +ANISOU 1653 CG LEU A 211 5175 8945 8372 -46 -362 348 C +ATOM 1654 CD1 LEU A 211 -9.164 50.617 5.190 1.00 62.74 C +ANISOU 1654 CD1 LEU A 211 5581 9525 8731 -317 -565 299 C +ATOM 1655 CD2 LEU A 211 -7.744 52.632 5.624 1.00 55.30 C +ANISOU 1655 CD2 LEU A 211 4973 8242 7797 80 -345 330 C +ATOM 1656 N TYR A 212 -11.391 50.811 8.560 1.00 49.54 N +ANISOU 1656 N TYR A 212 3396 7994 7433 -211 -50 353 N +ATOM 1657 CA TYR A 212 -11.314 50.535 9.990 1.00 53.35 C +ANISOU 1657 CA TYR A 212 3943 8371 7956 -252 183 293 C +ATOM 1658 C TYR A 212 -10.731 49.144 10.262 1.00 50.63 C +ANISOU 1658 C TYR A 212 3783 7929 7526 -538 172 189 C +ATOM 1659 O TYR A 212 -10.725 48.290 9.375 1.00 51.34 O +ANISOU 1659 O TYR A 212 3870 8074 7562 -735 -4 161 O +ATOM 1660 CB TYR A 212 -12.705 50.686 10.627 1.00 57.73 C +ANISOU 1660 CB TYR A 212 4152 9123 8660 -206 304 364 C +ATOM 1661 CG TYR A 212 -13.795 49.852 9.991 1.00 56.44 C +ANISOU 1661 CG TYR A 212 3678 9221 8547 -406 154 397 C +ATOM 1662 CD1 TYR A 212 -13.941 48.506 10.303 1.00 59.95 C +ANISOU 1662 CD1 TYR A 212 4127 9677 8975 -720 167 322 C +ATOM 1663 CD2 TYR A 212 -14.687 50.416 9.089 1.00 66.31 C +ANISOU 1663 CD2 TYR A 212 4626 10709 9861 -282 1 504 C +ATOM 1664 CE1 TYR A 212 -14.941 47.743 9.727 1.00 67.69 C +ANISOU 1664 CE1 TYR A 212 4819 10894 10007 -935 37 330 C +ATOM 1665 CE2 TYR A 212 -15.691 49.662 8.509 1.00 71.13 C +ANISOU 1665 CE2 TYR A 212 4927 11590 10510 -482 -151 519 C +ATOM 1666 CZ TYR A 212 -15.813 48.327 8.831 1.00 72.42 C +ANISOU 1666 CZ TYR A 212 5100 11755 10662 -823 -130 420 C +ATOM 1667 OH TYR A 212 -16.810 47.573 8.255 1.00 75.26 O +ANISOU 1667 OH TYR A 212 5150 12381 11065 -1055 -274 412 O +ATOM 1668 N PRO A 213 -10.230 48.916 11.490 1.00 52.07 N +ANISOU 1668 N PRO A 213 4137 7962 7685 -555 363 133 N +ATOM 1669 CA PRO A 213 -9.634 47.623 11.855 1.00 51.92 C +ANISOU 1669 CA PRO A 213 4315 7827 7585 -788 376 57 C +ATOM 1670 C PRO A 213 -10.609 46.448 11.827 1.00 57.44 C +ANISOU 1670 C PRO A 213 4829 8656 8341 -1048 361 66 C +ATOM 1671 O PRO A 213 -11.750 46.576 12.272 1.00 49.42 O +ANISOU 1671 O PRO A 213 3542 7802 7435 -1049 457 121 O +ATOM 1672 CB PRO A 213 -9.138 47.855 13.287 1.00 48.06 C +ANISOU 1672 CB PRO A 213 3989 7207 7064 -699 598 28 C +ATOM 1673 CG PRO A 213 -8.983 49.323 13.411 1.00 53.76 C +ANISOU 1673 CG PRO A 213 4707 7907 7814 -429 663 42 C +ATOM 1674 CD PRO A 213 -10.051 49.919 12.555 1.00 54.46 C +ANISOU 1674 CD PRO A 213 4500 8178 8014 -339 573 132 C +ATOM 1675 N ASN A 214 -10.154 45.316 11.297 1.00 54.34 N +ANISOU 1675 N ASN A 214 4581 8186 7881 -1272 255 5 N +ATOM 1676 CA ASN A 214 -10.864 44.055 11.458 1.00 52.31 C +ANISOU 1676 CA ASN A 214 4231 7978 7668 -1556 286 -11 C +ATOM 1677 C ASN A 214 -10.821 43.655 12.928 1.00 53.55 C +ANISOU 1677 C ASN A 214 4490 8028 7829 -1579 531 5 C +ATOM 1678 O ASN A 214 -9.754 43.338 13.452 1.00 48.60 O +ANISOU 1678 O ASN A 214 4163 7200 7103 -1553 590 -26 O +ATOM 1679 CB ASN A 214 -10.242 42.966 10.578 1.00 50.72 C +ANISOU 1679 CB ASN A 214 4220 7667 7386 -1774 141 -94 C +ATOM 1680 CG ASN A 214 -11.097 41.710 10.496 1.00 60.12 C +ANISOU 1680 CG ASN A 214 5289 8917 8637 -2097 152 -125 C +ATOM 1681 OD1 ASN A 214 -11.762 41.326 11.459 1.00 67.56 O +ANISOU 1681 OD1 ASN A 214 6135 9880 9654 -2186 331 -89 O +ATOM 1682 ND2 ASN A 214 -11.077 41.062 9.338 1.00 61.91 N +ANISOU 1682 ND2 ASN A 214 5530 9167 8826 -2288 -28 -200 N +ATOM 1683 N PRO A 215 -11.983 43.661 13.598 1.00 50.74 N +ANISOU 1683 N PRO A 215 3880 7820 7580 -1624 674 57 N +ATOM 1684 CA PRO A 215 -12.041 43.405 15.042 1.00 51.07 C +ANISOU 1684 CA PRO A 215 4007 7784 7612 -1627 929 86 C +ATOM 1685 C PRO A 215 -11.608 41.991 15.420 1.00 52.44 C +ANISOU 1685 C PRO A 215 4419 7783 7723 -1863 993 65 C +ATOM 1686 O PRO A 215 -11.280 41.743 16.580 1.00 53.59 O +ANISOU 1686 O PRO A 215 4740 7818 7805 -1836 1179 95 O +ATOM 1687 CB PRO A 215 -13.520 43.626 15.379 1.00 57.40 C +ANISOU 1687 CB PRO A 215 4435 8815 8561 -1663 1046 142 C +ATOM 1688 CG PRO A 215 -14.236 43.371 14.107 1.00 59.82 C +ANISOU 1688 CG PRO A 215 4482 9298 8947 -1809 836 129 C +ATOM 1689 CD PRO A 215 -13.323 43.849 13.016 1.00 60.63 C +ANISOU 1689 CD PRO A 215 4738 9337 8962 -1686 604 94 C +ATOM 1690 N LEU A 216 -11.601 41.080 14.453 1.00 51.44 N +ANISOU 1690 N LEU A 216 4312 7627 7605 -2085 845 17 N +ATOM 1691 CA LEU A 216 -11.251 39.691 14.724 1.00 55.79 C +ANISOU 1691 CA LEU A 216 5093 7987 8118 -2315 918 -1 C +ATOM 1692 C LEU A 216 -9.828 39.360 14.284 1.00 56.29 C +ANISOU 1692 C LEU A 216 5498 7830 8059 -2259 806 -54 C +ATOM 1693 O LEU A 216 -9.297 38.303 14.626 1.00 56.42 O +ANISOU 1693 O LEU A 216 5762 7647 8029 -2376 881 -55 O +ATOM 1694 CB LEU A 216 -12.240 38.752 14.032 1.00 59.03 C +ANISOU 1694 CB LEU A 216 5310 8487 8631 -2641 869 -40 C +ATOM 1695 CG LEU A 216 -13.715 38.953 14.382 1.00 57.33 C +ANISOU 1695 CG LEU A 216 4710 8516 8556 -2735 975 3 C +ATOM 1696 CD1 LEU A 216 -14.571 37.870 13.745 1.00 60.12 C +ANISOU 1696 CD1 LEU A 216 4903 8938 9002 -3105 933 -57 C +ATOM 1697 CD2 LEU A 216 -13.909 38.980 15.888 1.00 57.87 C +ANISOU 1697 CD2 LEU A 216 4827 8536 8625 -2670 1261 88 C +ATOM 1698 N VAL A 217 -9.213 40.263 13.525 1.00 47.49 N +ANISOU 1698 N VAL A 217 4397 6748 6900 -2074 639 -91 N +ATOM 1699 CA VAL A 217 -7.848 40.058 13.045 1.00 52.40 C +ANISOU 1699 CA VAL A 217 5311 7184 7414 -2009 535 -148 C +ATOM 1700 C VAL A 217 -7.002 41.315 13.238 1.00 43.04 C +ANISOU 1700 C VAL A 217 4197 5994 6161 -1715 510 -146 C +ATOM 1701 O VAL A 217 -7.002 42.207 12.389 1.00 42.45 O +ANISOU 1701 O VAL A 217 4018 6016 6096 -1608 377 -165 O +ATOM 1702 CB VAL A 217 -7.807 39.664 11.547 1.00 53.39 C +ANISOU 1702 CB VAL A 217 5421 7325 7538 -2153 330 -230 C +ATOM 1703 CG1 VAL A 217 -6.500 38.959 11.229 1.00 55.67 C +ANISOU 1703 CG1 VAL A 217 6038 7380 7734 -2161 290 -292 C +ATOM 1704 CG2 VAL A 217 -8.981 38.774 11.177 1.00 54.31 C +ANISOU 1704 CG2 VAL A 217 5352 7537 7746 -2454 325 -252 C +ATOM 1705 N ARG A 218 -6.295 41.381 14.363 1.00 42.06 N +ANISOU 1705 N ARG A 218 4255 5762 5962 -1592 641 -122 N +ATOM 1706 CA ARG A 218 -5.470 42.540 14.697 1.00 52.55 C +ANISOU 1706 CA ARG A 218 5661 7081 7224 -1342 640 -141 C +ATOM 1707 C ARG A 218 -4.452 42.859 13.604 1.00 47.71 C +ANISOU 1707 C ARG A 218 5161 6401 6564 -1273 467 -211 C +ATOM 1708 O ARG A 218 -3.887 41.952 12.990 1.00 38.06 O +ANISOU 1708 O ARG A 218 4083 5068 5311 -1384 388 -250 O +ATOM 1709 CB ARG A 218 -4.745 42.313 16.026 1.00 54.42 C +ANISOU 1709 CB ARG A 218 6104 7216 7356 -1262 781 -121 C +ATOM 1710 CG ARG A 218 -4.246 43.589 16.686 1.00 55.50 C +ANISOU 1710 CG ARG A 218 6263 7390 7435 -1036 832 -148 C +ATOM 1711 CD ARG A 218 -3.298 43.287 17.835 1.00 57.17 C +ANISOU 1711 CD ARG A 218 6702 7514 7505 -965 918 -146 C +ATOM 1712 NE ARG A 218 -3.962 42.588 18.931 1.00 65.51 N +ANISOU 1712 NE ARG A 218 7770 8586 8535 -1046 1089 -63 N +ATOM 1713 CZ ARG A 218 -3.370 42.262 20.076 1.00 71.34 C +ANISOU 1713 CZ ARG A 218 8693 9280 9134 -988 1184 -31 C +ATOM 1714 NH1 ARG A 218 -4.052 41.626 21.019 1.00 67.99 N +ANISOU 1714 NH1 ARG A 218 8282 8870 8682 -1070 1354 59 N +ATOM 1715 NH2 ARG A 218 -2.095 42.568 20.276 1.00 73.73 N +ANISOU 1715 NH2 ARG A 218 9161 9536 9317 -853 1111 -86 N +ATOM 1716 N ARG A 219 -4.260 44.155 13.357 1.00 44.89 N +ANISOU 1716 N ARG A 219 4743 6104 6211 -1093 430 -227 N +ATOM 1717 CA ARG A 219 -3.319 44.673 12.360 1.00 45.29 C +ANISOU 1717 CA ARG A 219 4890 6100 6219 -1011 293 -286 C +ATOM 1718 C ARG A 219 -3.761 44.401 10.920 1.00 49.76 C +ANISOU 1718 C ARG A 219 5362 6729 6815 -1127 130 -294 C +ATOM 1719 O ARG A 219 -2.982 44.568 9.983 1.00 50.64 O +ANISOU 1719 O ARG A 219 5579 6787 6875 -1100 18 -343 O +ATOM 1720 CB ARG A 219 -1.909 44.123 12.604 1.00 40.28 C +ANISOU 1720 CB ARG A 219 4517 5303 5486 -994 289 -344 C +ATOM 1721 CG ARG A 219 -1.264 44.675 13.869 1.00 51.02 C +ANISOU 1721 CG ARG A 219 5970 6633 6782 -846 407 -355 C +ATOM 1722 CD ARG A 219 0.185 44.245 14.007 1.00 57.50 C +ANISOU 1722 CD ARG A 219 7012 7331 7506 -806 374 -412 C +ATOM 1723 NE ARG A 219 0.315 42.798 14.132 1.00 61.25 N +ANISOU 1723 NE ARG A 219 7602 7712 7958 -928 380 -382 N +ATOM 1724 CZ ARG A 219 0.321 42.151 15.292 1.00 66.61 C +ANISOU 1724 CZ ARG A 219 8364 8360 8583 -932 488 -326 C +ATOM 1725 NH1 ARG A 219 0.203 42.825 16.429 1.00 71.43 N +ANISOU 1725 NH1 ARG A 219 8949 9046 9144 -830 591 -308 N +ATOM 1726 NH2 ARG A 219 0.444 40.831 15.319 1.00 68.30 N +ANISOU 1726 NH2 ARG A 219 8702 8460 8788 -1037 503 -286 N +ATOM 1727 N PHE A 220 -5.009 43.975 10.750 1.00 49.96 N +ANISOU 1727 N PHE A 220 5185 6883 6916 -1265 119 -251 N +ATOM 1728 CA PHE A 220 -5.616 43.876 9.425 1.00 49.63 C +ANISOU 1728 CA PHE A 220 5003 6961 6893 -1370 -49 -257 C +ATOM 1729 C PHE A 220 -6.771 44.868 9.310 1.00 50.64 C +ANISOU 1729 C PHE A 220 4836 7298 7106 -1267 -63 -177 C +ATOM 1730 O PHE A 220 -7.661 44.891 10.160 1.00 58.13 O +ANISOU 1730 O PHE A 220 5615 8333 8137 -1275 58 -126 O +ATOM 1731 CB PHE A 220 -6.107 42.454 9.147 1.00 52.09 C +ANISOU 1731 CB PHE A 220 5306 7266 7220 -1651 -77 -293 C +ATOM 1732 CG PHE A 220 -5.016 41.492 8.765 1.00 50.50 C +ANISOU 1732 CG PHE A 220 5385 6864 6937 -1748 -109 -377 C +ATOM 1733 CD1 PHE A 220 -4.153 40.981 9.719 1.00 49.11 C +ANISOU 1733 CD1 PHE A 220 5428 6502 6729 -1708 19 -381 C +ATOM 1734 CD2 PHE A 220 -4.863 41.088 7.448 1.00 52.64 C +ANISOU 1734 CD2 PHE A 220 5699 7144 7159 -1870 -265 -450 C +ATOM 1735 CE1 PHE A 220 -3.155 40.089 9.367 1.00 50.07 C +ANISOU 1735 CE1 PHE A 220 5794 6439 6790 -1770 -2 -448 C +ATOM 1736 CE2 PHE A 220 -3.869 40.196 7.089 1.00 53.21 C +ANISOU 1736 CE2 PHE A 220 6028 7022 7166 -1948 -272 -535 C +ATOM 1737 CZ PHE A 220 -3.014 39.696 8.050 1.00 49.51 C +ANISOU 1737 CZ PHE A 220 5765 6359 6686 -1890 -138 -530 C +ATOM 1738 N MET A 221 -6.755 45.686 8.262 1.00 45.13 N +ANISOU 1738 N MET A 221 4080 6681 6387 -1160 -201 -156 N +ATOM 1739 CA MET A 221 -7.801 46.687 8.063 1.00 45.72 C +ANISOU 1739 CA MET A 221 3879 6950 6543 -1019 -226 -60 C +ATOM 1740 C MET A 221 -8.940 46.182 7.178 1.00 49.50 C +ANISOU 1740 C MET A 221 4101 7656 7050 -1184 -383 -36 C +ATOM 1741 O MET A 221 -8.771 45.239 6.404 1.00 50.73 O +ANISOU 1741 O MET A 221 4330 7808 7137 -1395 -508 -108 O +ATOM 1742 CB MET A 221 -7.207 47.964 7.464 1.00 41.83 C +ANISOU 1742 CB MET A 221 3462 6419 6011 -782 -274 -24 C +ATOM 1743 CG MET A 221 -6.137 48.616 8.324 1.00 48.16 C +ANISOU 1743 CG MET A 221 4484 7021 6792 -626 -120 -63 C +ATOM 1744 SD MET A 221 -6.694 48.933 10.010 1.00 58.46 S +ANISOU 1744 SD MET A 221 5696 8327 8191 -540 120 -42 S +ATOM 1745 CE MET A 221 -5.651 47.804 10.930 1.00 38.56 C +ANISOU 1745 CE MET A 221 3439 5631 5581 -686 204 -140 C +ATOM 1746 N VAL A 222 -10.100 46.820 7.304 1.00 49.45 N +ANISOU 1746 N VAL A 222 3788 7855 7147 -1085 -373 58 N +ATOM 1747 CA VAL A 222 -11.263 46.494 6.485 1.00 50.15 C +ANISOU 1747 CA VAL A 222 3575 8212 7268 -1217 -537 90 C +ATOM 1748 C VAL A 222 -11.694 47.686 5.634 1.00 51.37 C +ANISOU 1748 C VAL A 222 3556 8541 7423 -978 -671 205 C +ATOM 1749 O VAL A 222 -11.837 48.800 6.137 1.00 51.37 O +ANISOU 1749 O VAL A 222 3493 8528 7498 -709 -557 295 O +ATOM 1750 CB VAL A 222 -12.456 46.036 7.353 1.00 65.89 C +ANISOU 1750 CB VAL A 222 5287 10349 9400 -1336 -414 111 C +ATOM 1751 CG1 VAL A 222 -13.721 45.907 6.512 1.00 68.17 C +ANISOU 1751 CG1 VAL A 222 5203 10963 9737 -1440 -593 149 C +ATOM 1752 CG2 VAL A 222 -12.137 44.724 8.047 1.00 51.73 C +ANISOU 1752 CG2 VAL A 222 3667 8392 7597 -1602 -296 14 C +ATOM 1753 N PHE A 223 -11.895 47.443 4.343 1.00 52.64 N +ANISOU 1753 N PHE A 223 3651 8859 7490 -1075 -908 202 N +ATOM 1754 CA PHE A 223 -12.432 48.459 3.446 1.00 54.42 C +ANISOU 1754 CA PHE A 223 3689 9291 7699 -860 -1063 334 C +ATOM 1755 C PHE A 223 -13.911 48.201 3.172 1.00 61.38 C +ANISOU 1755 C PHE A 223 4141 10523 8656 -953 -1186 386 C +ATOM 1756 O PHE A 223 -14.274 47.163 2.618 1.00 63.69 O +ANISOU 1756 O PHE A 223 4351 10954 8895 -1249 -1331 294 O +ATOM 1757 CB PHE A 223 -11.644 48.485 2.135 1.00 55.96 C +ANISOU 1757 CB PHE A 223 4100 9456 7707 -876 -1255 312 C +ATOM 1758 CG PHE A 223 -12.069 49.575 1.190 1.00 59.47 C +ANISOU 1758 CG PHE A 223 4405 10087 8104 -630 -1409 471 C +ATOM 1759 CD1 PHE A 223 -11.596 50.868 1.345 1.00 56.05 C +ANISOU 1759 CD1 PHE A 223 4091 9508 7697 -305 -1301 584 C +ATOM 1760 CD2 PHE A 223 -12.938 49.305 0.145 1.00 62.73 C +ANISOU 1760 CD2 PHE A 223 4573 10821 8439 -725 -1661 509 C +ATOM 1761 CE1 PHE A 223 -11.984 51.871 0.476 1.00 59.51 C +ANISOU 1761 CE1 PHE A 223 4423 10096 8093 -60 -1428 754 C +ATOM 1762 CE2 PHE A 223 -13.330 50.303 -0.725 1.00 66.17 C +ANISOU 1762 CE2 PHE A 223 4884 11441 8815 -475 -1812 679 C +ATOM 1763 CZ PHE A 223 -12.852 51.587 -0.560 1.00 65.29 C +ANISOU 1763 CZ PHE A 223 4911 11160 8738 -132 -1689 813 C +ATOM 1764 N GLU A 224 -14.761 49.146 3.559 1.00 64.27 N +ANISOU 1764 N GLU A 224 4230 11035 9153 -702 -1123 525 N +ATOM 1765 CA GLU A 224 -16.200 49.003 3.356 1.00 70.28 C +ANISOU 1765 CA GLU A 224 4536 12159 10008 -756 -1232 586 C +ATOM 1766 C GLU A 224 -16.734 50.077 2.422 1.00 71.73 C +ANISOU 1766 C GLU A 224 4512 12577 10167 -466 -1414 761 C +ATOM 1767 O GLU A 224 -16.427 51.255 2.583 1.00 73.46 O +ANISOU 1767 O GLU A 224 4824 12670 10419 -126 -1316 882 O +ATOM 1768 CB GLU A 224 -16.952 49.060 4.686 1.00 71.15 C +ANISOU 1768 CB GLU A 224 4425 12289 10319 -719 -985 606 C +ATOM 1769 CG GLU A 224 -18.463 48.952 4.527 1.00 76.62 C +ANISOU 1769 CG GLU A 224 4607 13372 11132 -766 -1077 670 C +ATOM 1770 CD GLU A 224 -19.202 48.996 5.849 1.00 82.52 C +ANISOU 1770 CD GLU A 224 5136 14138 12078 -735 -806 685 C +ATOM 1771 OE1 GLU A 224 -18.538 48.938 6.905 1.00 79.89 O +ANISOU 1771 OE1 GLU A 224 5072 13516 11766 -728 -557 629 O +ATOM 1772 OE2 GLU A 224 -20.448 49.086 5.830 1.00 92.50 O +ANISOU 1772 OE2 GLU A 224 5974 15703 13468 -715 -840 746 O +ATOM 1773 N ILE A 225 -17.537 49.666 1.447 1.00 68.91 N +ANISOU 1773 N ILE A 225 3877 12560 9744 -605 -1679 775 N +ATOM 1774 CA ILE A 225 -18.122 50.606 0.501 1.00 79.95 C +ANISOU 1774 CA ILE A 225 5053 14228 11098 -330 -1885 960 C +ATOM 1775 C ILE A 225 -19.605 50.308 0.256 1.00 76.09 C +ANISOU 1775 C ILE A 225 4168 14053 10688 -403 -2005 961 C +ATOM 1776 O ILE A 225 -20.020 49.149 0.207 1.00 77.20 O +ANISOU 1776 O ILE A 225 4257 14252 10825 -757 -2053 792 O +ATOM 1777 CB ILE A 225 -17.347 50.590 -0.837 1.00 78.89 C +ANISOU 1777 CB ILE A 225 5185 14081 10708 -363 -2119 954 C +ATOM 1778 CG1 ILE A 225 -17.884 51.662 -1.786 1.00 85.73 C +ANISOU 1778 CG1 ILE A 225 5864 15200 11508 -34 -2317 1179 C +ATOM 1779 CG2 ILE A 225 -17.396 49.209 -1.478 1.00 82.15 C +ANISOU 1779 CG2 ILE A 225 5608 14620 10987 -801 -2304 763 C +ATOM 1780 CD1 ILE A 225 -17.222 51.657 -3.136 1.00 85.97 C +ANISOU 1780 CD1 ILE A 225 6136 15261 11268 -66 -2551 1189 C +ATOM 1781 N THR A 226 -20.399 51.366 0.119 1.00 87.88 N +ANISOU 1781 N THR A 226 5439 15685 12265 -54 -2024 1136 N +ATOM 1782 CA THR A 226 -21.836 51.235 -0.104 1.00 96.95 C +ANISOU 1782 CA THR A 226 6233 17099 13503 -71 -2124 1140 C +ATOM 1783 C THR A 226 -22.318 52.220 -1.166 1.00101.43 C +ANISOU 1783 C THR A 226 6699 17852 13988 250 -2334 1325 C +ATOM 1784 O THR A 226 -21.533 53.006 -1.696 1.00101.49 O +ANISOU 1784 O THR A 226 6929 17761 13872 484 -2382 1455 O +ATOM 1785 CB THR A 226 -22.635 51.466 1.194 1.00 97.91 C +ANISOU 1785 CB THR A 226 6103 17209 13888 27 -1856 1156 C +ATOM 1786 OG1 THR A 226 -22.175 52.663 1.833 1.00 99.37 O +ANISOU 1786 OG1 THR A 226 6381 17215 14160 408 -1648 1305 O +ATOM 1787 CG2 THR A 226 -22.468 50.292 2.146 1.00 94.65 C +ANISOU 1787 CG2 THR A 226 5740 16673 13550 -345 -1677 968 C +ATOM 1788 N SER A 227 -23.611 52.173 -1.472 1.00103.54 N +ANISOU 1788 N SER A 227 6631 18386 14325 259 -2455 1341 N +ATOM 1789 CA SER A 227 -24.205 53.097 -2.433 1.00105.49 C +ANISOU 1789 CA SER A 227 6746 18830 14504 572 -2654 1527 C +ATOM 1790 C SER A 227 -25.130 54.097 -1.747 1.00109.38 C +ANISOU 1790 C SER A 227 6962 19368 15229 931 -2495 1677 C +ATOM 1791 O SER A 227 -26.104 54.563 -2.339 1.00114.03 O +ANISOU 1791 O SER A 227 7298 20194 15833 1111 -2652 1788 O +ATOM 1792 CB SER A 227 -24.973 52.330 -3.511 1.00108.92 C +ANISOU 1792 CB SER A 227 7010 19565 14808 328 -2959 1439 C +ATOM 1793 OG SER A 227 -24.136 51.386 -4.156 1.00104.88 O +ANISOU 1793 OG SER A 227 6778 18989 14081 -7 -3085 1279 O +TER 1794 SER A 227 +ATOM 1795 P DC B 4 5.508 27.420 7.538 1.00 82.90 P +ANISOU 1795 P DC B 4 11668 7309 12520 -607 2236 1615 P +ATOM 1796 OP1 DC B 4 6.096 26.103 7.869 1.00 88.01 O +ANISOU 1796 OP1 DC B 4 12648 7444 13347 -403 2409 1678 O +ATOM 1797 OP2 DC B 4 6.306 28.648 7.737 1.00 84.15 O +ANISOU 1797 OP2 DC B 4 11496 7660 12817 -499 1679 2081 O +ATOM 1798 O5' DC B 4 4.990 27.392 6.022 1.00 95.55 O +ANISOU 1798 O5' DC B 4 12829 9432 14044 -652 2609 1208 O +ATOM 1799 C5' DC B 4 5.898 27.629 4.948 1.00 92.02 C +ANISOU 1799 C5' DC B 4 11818 9405 13740 -407 2595 1401 C +ATOM 1800 C4' DC B 4 5.161 27.983 3.662 1.00 84.57 C +ANISOU 1800 C4' DC B 4 10518 9054 12560 -529 2828 1050 C +ATOM 1801 O4' DC B 4 4.314 26.865 3.273 1.00 83.82 O +ANISOU 1801 O4' DC B 4 10646 8854 12349 -605 3315 429 O +ATOM 1802 C3' DC B 4 4.220 29.182 3.745 1.00 77.01 C +ANISOU 1802 C3' DC B 4 9525 8334 11402 -798 2550 1000 C +ATOM 1803 O3' DC B 4 4.921 30.388 3.439 1.00 74.47 O +ANISOU 1803 O3' DC B 4 8806 8319 11170 -752 2123 1517 O +ATOM 1804 C2' DC B 4 3.193 28.847 2.669 1.00 77.31 C +ANISOU 1804 C2' DC B 4 9442 8747 11184 -908 2928 414 C +ATOM 1805 C1' DC B 4 3.045 27.344 2.855 1.00 81.64 C +ANISOU 1805 C1' DC B 4 10323 8896 11800 -880 3383 20 C +ATOM 1806 N1 DC B 4 1.986 26.960 3.866 1.00 85.03 N +ANISOU 1806 N1 DC B 4 11241 8903 12164 -1183 3495 -299 N +ATOM 1807 C2 DC B 4 0.635 27.039 3.506 1.00 83.48 C +ANISOU 1807 C2 DC B 4 11012 8947 11758 -1456 3678 -870 C +ATOM 1808 O2 DC B 4 0.338 27.417 2.367 1.00 81.52 O +ANISOU 1808 O2 DC B 4 10384 9218 11371 -1410 3693 -1094 O +ATOM 1809 N3 DC B 4 -0.313 26.704 4.417 1.00 84.31 N +ANISOU 1809 N3 DC B 4 11486 8752 11797 -1772 3833 -1158 N +ATOM 1810 C4 DC B 4 0.043 26.300 5.636 1.00 84.75 C +ANISOU 1810 C4 DC B 4 11990 8286 11925 -1826 3809 -854 C +ATOM 1811 N4 DC B 4 -0.929 25.977 6.497 1.00 84.57 N +ANISOU 1811 N4 DC B 4 12314 8054 11765 -2188 4019 -1119 N +ATOM 1812 C5 DC B 4 1.412 26.210 6.025 1.00 85.38 C +ANISOU 1812 C5 DC B 4 12164 8077 12201 -1515 3564 -263 C +ATOM 1813 C6 DC B 4 2.340 26.543 5.118 1.00 85.37 C +ANISOU 1813 C6 DC B 4 11731 8378 12327 -1200 3417 -29 C +ATOM 1814 P DC B 5 4.293 31.816 3.837 1.00 71.60 P +ANISOU 1814 P DC B 5 8443 8004 10758 -948 1599 1628 P +ATOM 1815 OP1 DC B 5 5.069 32.849 3.116 1.00 70.73 O +ANISOU 1815 OP1 DC B 5 7870 8241 10764 -926 1259 2168 O +ATOM 1816 OP2 DC B 5 4.178 31.873 5.312 1.00 76.21 O +ANISOU 1816 OP2 DC B 5 9452 8087 11416 -991 1348 1646 O +ATOM 1817 O5' DC B 5 2.810 31.772 3.226 1.00 66.09 O +ANISOU 1817 O5' DC B 5 7783 7577 9752 -1113 1843 991 O +ATOM 1818 C5' DC B 5 2.534 32.406 1.981 1.00 63.27 C +ANISOU 1818 C5' DC B 5 7059 7748 9232 -1131 1780 988 C +ATOM 1819 C4' DC B 5 1.107 32.139 1.535 1.00 61.73 C +ANISOU 1819 C4' DC B 5 6928 7755 8770 -1252 2016 283 C +ATOM 1820 O4' DC B 5 0.674 30.849 2.025 1.00 67.62 O +ANISOU 1820 O4' DC B 5 7986 8204 9504 -1316 2500 -201 O +ATOM 1821 C3' DC B 5 0.072 33.098 2.077 1.00 60.88 C +ANISOU 1821 C3' DC B 5 6904 7589 8638 -1374 1618 49 C +ATOM 1822 O3' DC B 5 0.066 34.297 1.304 1.00 62.07 O +ANISOU 1822 O3' DC B 5 6768 8058 8759 -1340 1153 339 O +ATOM 1823 C2' DC B 5 -1.210 32.289 1.888 1.00 64.70 C +ANISOU 1823 C2' DC B 5 7480 8180 8924 -1505 2048 -744 C +ATOM 1824 C1' DC B 5 -0.738 30.860 2.178 1.00 70.04 C +ANISOU 1824 C1' DC B 5 8392 8560 9659 -1514 2582 -822 C +ATOM 1825 N1 DC B 5 -1.083 30.393 3.554 1.00 73.88 N +ANISOU 1825 N1 DC B 5 9289 8571 10210 -1677 2704 -972 N +ATOM 1826 C2 DC B 5 -2.391 29.976 3.837 1.00 76.52 C +ANISOU 1826 C2 DC B 5 9745 8912 10419 -1933 2989 -1624 C +ATOM 1827 O2 DC B 5 -3.240 29.996 2.936 1.00 76.52 O +ANISOU 1827 O2 DC B 5 9490 9285 10301 -1990 3090 -2108 O +ATOM 1828 N3 DC B 5 -2.691 29.559 5.092 1.00 75.94 N +ANISOU 1828 N3 DC B 5 10048 8470 10334 -2129 3145 -1701 N +ATOM 1829 C4 DC B 5 -1.748 29.552 6.036 1.00 73.91 C +ANISOU 1829 C4 DC B 5 10081 7835 10165 -2033 2975 -1170 C +ATOM 1830 N4 DC B 5 -2.090 29.133 7.258 1.00 72.70 N +ANISOU 1830 N4 DC B 5 10339 7373 9910 -2240 3136 -1230 N +ATOM 1831 C5 DC B 5 -0.411 29.975 5.768 1.00 72.60 C +ANISOU 1831 C5 DC B 5 9778 7630 10177 -1739 2632 -548 C +ATOM 1832 C6 DC B 5 -0.127 30.384 4.527 1.00 71.62 C +ANISOU 1832 C6 DC B 5 9241 7889 10081 -1592 2534 -467 C +ATOM 1833 P DC B 6 -0.503 35.664 1.930 1.00 60.37 P +ANISOU 1833 P DC B 6 6587 7672 8679 -1362 476 357 P +ATOM 1834 OP1 DC B 6 -0.446 36.701 0.876 1.00 64.49 O +ANISOU 1834 OP1 DC B 6 6836 8502 9166 -1331 43 713 O +ATOM 1835 OP2 DC B 6 0.192 35.885 3.218 1.00 63.26 O +ANISOU 1835 OP2 DC B 6 7165 7570 9300 -1349 228 669 O +ATOM 1836 O5' DC B 6 -2.036 35.341 2.257 1.00 70.43 O +ANISOU 1836 O5' DC B 6 7976 8994 9791 -1436 671 -517 O +ATOM 1837 C5' DC B 6 -2.969 35.163 1.193 1.00 68.74 C +ANISOU 1837 C5' DC B 6 7566 9206 9347 -1446 831 -996 C +ATOM 1838 C4' DC B 6 -4.391 35.123 1.720 1.00 76.67 C +ANISOU 1838 C4' DC B 6 8602 10230 10300 -1528 882 -1798 C +ATOM 1839 O4' DC B 6 -4.644 33.837 2.340 1.00 79.93 O +ANISOU 1839 O4' DC B 6 9226 10482 10661 -1715 1524 -2187 O +ATOM 1840 C3' DC B 6 -4.692 36.135 2.805 1.00 75.22 C +ANISOU 1840 C3' DC B 6 8499 9792 10290 -1474 373 -1847 C +ATOM 1841 O3' DC B 6 -5.052 37.376 2.227 1.00 76.65 O +ANISOU 1841 O3' DC B 6 8468 10112 10544 -1310 -286 -1798 O +ATOM 1842 C2' DC B 6 -5.872 35.490 3.521 1.00 75.76 C +ANISOU 1842 C2' DC B 6 8630 9907 10250 -1636 787 -2655 C +ATOM 1843 C1' DC B 6 -5.510 34.006 3.452 1.00 79.65 C +ANISOU 1843 C1' DC B 6 9302 10319 10643 -1829 1511 -2646 C +ATOM 1844 N1 DC B 6 -4.824 33.502 4.682 1.00 83.11 N +ANISOU 1844 N1 DC B 6 10114 10333 11130 -1919 1711 -2340 N +ATOM 1845 C2 DC B 6 -5.589 33.099 5.784 1.00 87.56 C +ANISOU 1845 C2 DC B 6 10878 10799 11591 -2132 2005 -2782 C +ATOM 1846 O2 DC B 6 -6.822 33.168 5.719 1.00 90.19 O +ANISOU 1846 O2 DC B 6 11012 11419 11838 -2251 2122 -3459 O +ATOM 1847 N3 DC B 6 -4.954 32.645 6.894 1.00 85.82 N +ANISOU 1847 N3 DC B 6 11051 10209 11347 -2207 2148 -2450 N +ATOM 1848 C4 DC B 6 -3.622 32.587 6.924 1.00 83.71 C +ANISOU 1848 C4 DC B 6 10934 9659 11213 -2046 1976 -1761 C +ATOM 1849 N4 DC B 6 -3.042 32.132 8.040 1.00 85.15 N +ANISOU 1849 N4 DC B 6 11517 9479 11358 -2092 2062 -1459 N +ATOM 1850 C5 DC B 6 -2.825 32.992 5.813 1.00 79.80 C +ANISOU 1850 C5 DC B 6 10166 9281 10872 -1838 1707 -1344 C +ATOM 1851 C6 DC B 6 -3.462 33.438 4.723 1.00 80.17 C +ANISOU 1851 C6 DC B 6 9869 9712 10880 -1798 1602 -1627 C +ATOM 1852 P DC B 7 -4.598 38.746 2.930 1.00 62.78 P +ANISOU 1852 P DC B 7 6773 7993 9089 -1167 -1073 -1389 P +ATOM 1853 OP1 DC B 7 -4.688 39.818 1.915 1.00 68.85 O +ANISOU 1853 OP1 DC B 7 7346 8882 9932 -1033 -1700 -1105 O +ATOM 1854 OP2 DC B 7 -3.314 38.495 3.621 1.00 66.33 O +ANISOU 1854 OP2 DC B 7 7426 8109 9669 -1228 -990 -776 O +ATOM 1855 O5' DC B 7 -5.720 38.985 4.046 1.00 83.78 O +ANISOU 1855 O5' DC B 7 9475 10586 11770 -1119 -1157 -2182 O +ATOM 1856 C5' DC B 7 -7.044 39.305 3.650 1.00 76.62 C +ANISOU 1856 C5' DC B 7 8322 9981 10810 -1020 -1300 -2904 C +ATOM 1857 C4' DC B 7 -8.032 39.057 4.776 1.00 74.50 C +ANISOU 1857 C4' DC B 7 8058 9778 10471 -1068 -1036 -3716 C +ATOM 1858 O4' DC B 7 -7.933 37.685 5.225 1.00 77.52 O +ANISOU 1858 O4' DC B 7 8626 10190 10637 -1373 -198 -3805 O +ATOM 1859 C3' DC B 7 -7.793 39.868 6.031 1.00 70.57 C +ANISOU 1859 C3' DC B 7 7723 8963 10127 -927 -1480 -3706 C +ATOM 1860 O3' DC B 7 -8.350 41.163 5.892 1.00 64.35 O +ANISOU 1860 O3' DC B 7 6733 8140 9578 -613 -2276 -3987 O +ATOM 1861 C2' DC B 7 -8.547 39.050 7.076 1.00 75.13 C +ANISOU 1861 C2' DC B 7 8369 9728 10450 -1124 -831 -4370 C +ATOM 1862 C1' DC B 7 -8.337 37.612 6.585 1.00 80.29 C +ANISOU 1862 C1' DC B 7 9121 10480 10906 -1450 -26 -4202 C +ATOM 1863 N1 DC B 7 -7.309 36.864 7.371 1.00 85.56 N +ANISOU 1863 N1 DC B 7 10200 10826 11484 -1618 328 -3659 N +ATOM 1864 C2 DC B 7 -7.708 36.087 8.466 1.00 92.33 C +ANISOU 1864 C2 DC B 7 11283 11700 12100 -1866 879 -3978 C +ATOM 1865 O2 DC B 7 -8.910 36.025 8.756 1.00 96.01 O +ANISOU 1865 O2 DC B 7 11552 12497 12432 -1978 1126 -4724 O +ATOM 1866 N3 DC B 7 -6.765 35.420 9.175 1.00 91.13 N +ANISOU 1866 N3 DC B 7 11547 11221 11858 -1983 1122 -3447 N +ATOM 1867 C4 DC B 7 -5.480 35.512 8.830 1.00 87.16 C +ANISOU 1867 C4 DC B 7 11163 10414 11540 -1842 844 -2698 C +ATOM 1868 N4 DC B 7 -4.586 34.836 9.559 1.00 89.57 N +ANISOU 1868 N4 DC B 7 11855 10401 11778 -1917 1042 -2228 N +ATOM 1869 C5 DC B 7 -5.054 36.302 7.721 1.00 81.09 C +ANISOU 1869 C5 DC B 7 10111 9676 11022 -1629 344 -2381 C +ATOM 1870 C6 DC B 7 -5.992 36.956 7.029 1.00 81.37 C +ANISOU 1870 C6 DC B 7 9809 10006 11102 -1534 98 -2845 C +TER 1871 DC B 7 +ATOM 1872 N MET C 1 -20.588 44.271 14.289 1.00 64.49 N +ANISOU 1872 N MET C 1 4859 11014 8629 -391 127 -695 N +ATOM 1873 CA MET C 1 -20.396 43.358 15.409 1.00 68.93 C +ANISOU 1873 CA MET C 1 5534 11340 9318 -597 236 -774 C +ATOM 1874 C MET C 1 -20.325 44.119 16.726 1.00 68.68 C +ANISOU 1874 C MET C 1 5617 11136 9342 -400 380 -664 C +ATOM 1875 O MET C 1 -19.808 45.234 16.780 1.00 68.68 O +ANISOU 1875 O MET C 1 5771 10996 9330 -132 382 -575 O +ATOM 1876 CB MET C 1 -19.124 42.530 15.215 1.00 76.90 C +ANISOU 1876 CB MET C 1 6801 12040 10377 -767 198 -910 C +ATOM 1877 CG MET C 1 -19.346 41.192 14.529 1.00 84.42 C +ANISOU 1877 CG MET C 1 7657 13068 11350 -1063 80 -1114 C +ATOM 1878 SD MET C 1 -17.919 40.093 14.645 1.00 75.05 S +ANISOU 1878 SD MET C 1 6784 11456 10275 -1206 31 -1317 S +ATOM 1879 CE MET C 1 -18.008 39.598 16.364 1.00 74.83 C +ANISOU 1879 CE MET C 1 6900 11105 10428 -1343 152 -1199 C +ATOM 1880 N ARG C 2 -20.843 43.510 17.788 1.00 69.59 N +ANISOU 1880 N ARG C 2 5657 11275 9509 -552 486 -671 N +ATOM 1881 CA ARG C 2 -20.714 44.076 19.125 1.00 65.13 C +ANISOU 1881 CA ARG C 2 5195 10587 8965 -395 631 -608 C +ATOM 1882 C ARG C 2 -20.013 43.076 20.035 1.00 61.49 C +ANISOU 1882 C ARG C 2 4934 9845 8583 -663 697 -623 C +ATOM 1883 O ARG C 2 -20.534 41.994 20.306 1.00 62.84 O +ANISOU 1883 O ARG C 2 4986 10105 8785 -977 697 -622 O +ATOM 1884 CB ARG C 2 -22.084 44.460 19.688 1.00 63.28 C +ANISOU 1884 CB ARG C 2 4627 10761 8657 -276 712 -572 C +ATOM 1885 CG ARG C 2 -22.861 45.423 18.801 1.00 62.64 C +ANISOU 1885 CG ARG C 2 4326 10967 8508 26 618 -551 C +ATOM 1886 CD ARG C 2 -24.279 45.643 19.305 1.00 60.86 C +ANISOU 1886 CD ARG C 2 3704 11226 8194 144 689 -552 C +ATOM 1887 NE ARG C 2 -24.308 46.431 20.534 1.00 60.66 N +ANISOU 1887 NE ARG C 2 3720 11176 8151 434 820 -574 N +ATOM 1888 CZ ARG C 2 -24.487 45.921 21.748 1.00 65.71 C +ANISOU 1888 CZ ARG C 2 4292 11932 8743 273 979 -586 C +ATOM 1889 NH1 ARG C 2 -24.499 46.719 22.807 1.00 68.91 N +ANISOU 1889 NH1 ARG C 2 4723 12359 9102 577 1089 -646 N +ATOM 1890 NH2 ARG C 2 -24.654 44.614 21.904 1.00 68.04 N +ANISOU 1890 NH2 ARG C 2 4498 12322 9031 -198 1010 -537 N +ATOM 1891 N ILE C 3 -18.824 43.444 20.499 1.00 53.58 N +ANISOU 1891 N ILE C 3 4239 8501 7619 -554 733 -617 N +ATOM 1892 CA ILE C 3 -17.975 42.525 21.247 1.00 50.57 C +ANISOU 1892 CA ILE C 3 4077 7822 7315 -770 761 -624 C +ATOM 1893 C ILE C 3 -17.638 43.046 22.640 1.00 54.73 C +ANISOU 1893 C ILE C 3 4731 8247 7817 -651 901 -558 C +ATOM 1894 O ILE C 3 -17.291 44.215 22.811 1.00 61.63 O +ANISOU 1894 O ILE C 3 5701 9060 8654 -366 934 -560 O +ATOM 1895 CB ILE C 3 -16.655 42.252 20.489 1.00 53.22 C +ANISOU 1895 CB ILE C 3 4657 7866 7699 -784 657 -711 C +ATOM 1896 CG1 ILE C 3 -16.941 41.756 19.070 1.00 47.58 C +ANISOU 1896 CG1 ILE C 3 3807 7301 6971 -882 514 -821 C +ATOM 1897 CG2 ILE C 3 -15.788 41.255 21.245 1.00 43.76 C +ANISOU 1897 CG2 ILE C 3 3676 6354 6596 -967 657 -728 C +ATOM 1898 CD1 ILE C 3 -15.897 42.172 18.057 1.00 46.10 C +ANISOU 1898 CD1 ILE C 3 3743 7049 6723 -755 432 -889 C +ATOM 1899 N VAL C 4 -17.753 42.170 23.634 1.00 52.65 N +ANISOU 1899 N VAL C 4 4470 7965 7569 -889 963 -494 N +ATOM 1900 CA VAL C 4 -17.237 42.451 24.968 1.00 53.30 C +ANISOU 1900 CA VAL C 4 4698 7947 7607 -827 1081 -437 C +ATOM 1901 C VAL C 4 -15.908 41.728 25.174 1.00 52.23 C +ANISOU 1901 C VAL C 4 4866 7414 7565 -959 1020 -431 C +ATOM 1902 O VAL C 4 -15.798 40.532 24.914 1.00 54.71 O +ANISOU 1902 O VAL C 4 5219 7587 7981 -1222 919 -418 O +ATOM 1903 CB VAL C 4 -18.238 42.035 26.066 1.00 56.34 C +ANISOU 1903 CB VAL C 4 4856 8655 7894 -1000 1198 -328 C +ATOM 1904 CG1 VAL C 4 -17.522 41.776 27.386 1.00 56.28 C +ANISOU 1904 CG1 VAL C 4 5031 8506 7846 -1081 1279 -240 C +ATOM 1905 CG2 VAL C 4 -19.304 43.102 26.235 1.00 50.49 C +ANISOU 1905 CG2 VAL C 4 3835 8331 7017 -723 1298 -378 C +ATOM 1906 N ALA C 5 -14.897 42.457 25.631 1.00 53.40 N +ANISOU 1906 N ALA C 5 5229 7373 7687 -767 1060 -453 N +ATOM 1907 CA ALA C 5 -13.592 41.859 25.882 1.00 57.99 C +ANISOU 1907 CA ALA C 5 6070 7627 8335 -850 1004 -452 C +ATOM 1908 C ALA C 5 -13.066 42.283 27.242 1.00 58.01 C +ANISOU 1908 C ALA C 5 6201 7586 8255 -780 1110 -392 C +ATOM 1909 O ALA C 5 -13.418 43.346 27.747 1.00 60.97 O +ANISOU 1909 O ALA C 5 6520 8117 8527 -584 1209 -417 O +ATOM 1910 CB ALA C 5 -12.609 42.244 24.791 1.00 38.89 C +ANISOU 1910 CB ALA C 5 3781 5046 5948 -718 907 -561 C +ATOM 1911 N ALA C 6 -12.215 41.448 27.830 1.00 57.94 N +ANISOU 1911 N ALA C 6 6363 7362 8290 -921 1071 -331 N +ATOM 1912 CA ALA C 6 -11.657 41.735 29.143 1.00 59.14 C +ANISOU 1912 CA ALA C 6 6631 7498 8343 -882 1158 -265 C +ATOM 1913 C ALA C 6 -10.173 41.400 29.194 1.00 57.65 C +ANISOU 1913 C ALA C 6 6686 7007 8210 -870 1069 -284 C +ATOM 1914 O ALA C 6 -9.734 40.394 28.635 1.00 59.67 O +ANISOU 1914 O ALA C 6 7012 7066 8595 -977 938 -294 O +ATOM 1915 CB ALA C 6 -12.411 40.967 30.217 1.00 59.40 C +ANISOU 1915 CB ALA C 6 6552 7711 8308 -1113 1221 -89 C +ATOM 1916 N ASP C 7 -9.402 42.247 29.868 1.00 57.71 N +ANISOU 1916 N ASP C 7 6814 6994 8120 -725 1127 -312 N +ATOM 1917 CA ASP C 7 -7.982 41.987 30.071 1.00 55.74 C +ANISOU 1917 CA ASP C 7 6760 6531 7889 -711 1053 -320 C +ATOM 1918 C ASP C 7 -7.474 42.534 31.401 1.00 53.18 C +ANISOU 1918 C ASP C 7 6525 6261 7419 -662 1135 -280 C +ATOM 1919 O ASP C 7 -8.000 43.516 31.926 1.00 50.21 O +ANISOU 1919 O ASP C 7 6094 6054 6928 -556 1241 -328 O +ATOM 1920 CB ASP C 7 -7.163 42.584 28.924 1.00 59.06 C +ANISOU 1920 CB ASP C 7 7237 6860 8343 -582 981 -453 C +ATOM 1921 CG ASP C 7 -5.690 42.236 29.018 1.00 60.53 C +ANISOU 1921 CG ASP C 7 7569 6897 8532 -566 899 -479 C +ATOM 1922 OD1 ASP C 7 -5.371 41.111 29.456 1.00 62.66 O +ANISOU 1922 OD1 ASP C 7 7894 7051 8864 -651 832 -421 O +ATOM 1923 OD2 ASP C 7 -4.851 43.089 28.664 1.00 61.75 O +ANISOU 1923 OD2 ASP C 7 7778 7057 8627 -475 885 -545 O +ATOM 1924 N THR C 8 -6.448 41.884 31.941 1.00 57.15 N +ANISOU 1924 N THR C 8 7161 6628 7924 -718 1069 -215 N +ATOM 1925 CA THR C 8 -5.729 42.400 33.097 1.00 55.85 C +ANISOU 1925 CA THR C 8 7093 6519 7610 -671 1119 -197 C +ATOM 1926 C THR C 8 -4.372 42.928 32.644 1.00 50.89 C +ANISOU 1926 C THR C 8 6587 5759 6988 -564 1045 -309 C +ATOM 1927 O THR C 8 -3.658 42.256 31.900 1.00 58.59 O +ANISOU 1927 O THR C 8 7597 6600 8066 -568 932 -331 O +ATOM 1928 CB THR C 8 -5.532 41.321 34.180 1.00 59.21 C +ANISOU 1928 CB THR C 8 7560 6943 7994 -824 1089 0 C +ATOM 1929 OG1 THR C 8 -6.808 40.813 34.590 1.00 65.48 O +ANISOU 1929 OG1 THR C 8 8214 7907 8758 -985 1153 146 O +ATOM 1930 CG2 THR C 8 -4.809 41.899 35.388 1.00 56.81 C +ANISOU 1930 CG2 THR C 8 7333 6756 7497 -774 1141 8 C +ATOM 1931 N GLY C 9 -4.020 44.130 33.084 1.00 50.28 N +ANISOU 1931 N GLY C 9 6567 5743 6796 -473 1097 -394 N +ATOM 1932 CA GLY C 9 -2.766 44.739 32.679 1.00 56.47 C +ANISOU 1932 CA GLY C 9 7448 6442 7565 -427 1023 -474 C +ATOM 1933 C GLY C 9 -2.311 45.838 33.616 1.00 59.82 C +ANISOU 1933 C GLY C 9 7967 6913 7850 -386 1057 -542 C +ATOM 1934 O GLY C 9 -3.067 46.289 34.477 1.00 62.57 O +ANISOU 1934 O GLY C 9 8298 7367 8109 -342 1146 -577 O +ATOM 1935 N GLY C 10 -1.066 46.269 33.447 1.00 60.12 N +ANISOU 1935 N GLY C 10 8087 6903 7853 -405 978 -580 N +ATOM 1936 CA GLY C 10 -0.483 47.274 34.314 1.00 56.73 C +ANISOU 1936 CA GLY C 10 7763 6492 7298 -403 975 -659 C +ATOM 1937 C GLY C 10 0.110 46.629 35.549 1.00 52.00 C +ANISOU 1937 C GLY C 10 7183 6009 6565 -445 986 -603 C +ATOM 1938 O GLY C 10 -0.544 45.821 36.207 1.00 52.16 O +ANISOU 1938 O GLY C 10 7147 6118 6552 -455 1048 -510 O +ATOM 1939 N ALA C 11 1.353 46.976 35.864 1.00 53.31 N +ANISOU 1939 N ALA C 11 7415 6201 6641 -493 914 -635 N +ATOM 1940 CA ALA C 11 2.039 46.367 36.995 1.00 55.31 C +ANISOU 1940 CA ALA C 11 7676 6588 6752 -526 899 -568 C +ATOM 1941 C ALA C 11 2.853 47.387 37.781 1.00 59.68 C +ANISOU 1941 C ALA C 11 8314 7218 7145 -570 864 -684 C +ATOM 1942 O ALA C 11 3.494 48.264 37.203 1.00 62.82 O +ANISOU 1942 O ALA C 11 8762 7539 7567 -625 792 -766 O +ATOM 1943 CB ALA C 11 2.937 45.235 36.518 1.00 52.97 C +ANISOU 1943 CB ALA C 11 7328 6280 6517 -528 802 -463 C +ATOM 1944 N VAL C 12 2.818 47.267 39.104 1.00 58.55 N +ANISOU 1944 N VAL C 12 8181 7243 6822 -574 904 -679 N +ATOM 1945 CA VAL C 12 3.709 48.038 39.959 1.00 57.97 C +ANISOU 1945 CA VAL C 12 8176 7280 6571 -630 851 -795 C +ATOM 1946 C VAL C 12 5.115 47.454 39.880 1.00 60.12 C +ANISOU 1946 C VAL C 12 8410 7631 6801 -695 740 -694 C +ATOM 1947 O VAL C 12 5.312 46.257 40.089 1.00 62.43 O +ANISOU 1947 O VAL C 12 8637 7994 7090 -662 719 -523 O +ATOM 1948 CB VAL C 12 3.227 48.053 41.422 1.00 57.74 C +ANISOU 1948 CB VAL C 12 8139 7487 6314 -606 930 -834 C +ATOM 1949 CG1 VAL C 12 4.328 48.554 42.345 1.00 56.76 C +ANISOU 1949 CG1 VAL C 12 8064 7521 5980 -680 852 -931 C +ATOM 1950 CG2 VAL C 12 1.979 48.913 41.557 1.00 56.15 C +ANISOU 1950 CG2 VAL C 12 7955 7267 6114 -502 1027 -1024 C +ATOM 1951 N LEU C 13 6.087 48.304 39.571 1.00 56.95 N +ANISOU 1951 N LEU C 13 8044 7220 6374 -790 649 -794 N +ATOM 1952 CA LEU C 13 7.474 47.876 39.453 1.00 50.59 C +ANISOU 1952 CA LEU C 13 7156 6565 5501 -847 542 -726 C +ATOM 1953 C LEU C 13 8.301 48.413 40.612 1.00 53.70 C +ANISOU 1953 C LEU C 13 7580 7156 5668 -944 483 -804 C +ATOM 1954 O LEU C 13 8.026 49.499 41.122 1.00 55.96 O +ANISOU 1954 O LEU C 13 7979 7395 5888 -1010 489 -971 O +ATOM 1955 CB LEU C 13 8.074 48.353 38.128 1.00 41.82 C +ANISOU 1955 CB LEU C 13 6003 5395 4492 -933 475 -748 C +ATOM 1956 CG LEU C 13 7.291 48.099 36.838 1.00 37.60 C +ANISOU 1956 CG LEU C 13 5438 4691 4157 -866 519 -710 C +ATOM 1957 CD1 LEU C 13 8.006 48.728 35.651 1.00 35.53 C +ANISOU 1957 CD1 LEU C 13 5117 4463 3919 -997 443 -714 C +ATOM 1958 CD2 LEU C 13 7.080 46.615 36.606 1.00 36.91 C +ANISOU 1958 CD2 LEU C 13 5255 4619 4152 -714 535 -607 C +ATOM 1959 N ASP C 14 9.311 47.659 41.032 1.00 54.41 N +ANISOU 1959 N ASP C 14 7569 7466 5640 -934 407 -703 N +ATOM 1960 CA ASP C 14 10.285 48.201 41.967 1.00 64.00 C +ANISOU 1960 CA ASP C 14 8778 8912 6627 -1052 325 -779 C +ATOM 1961 C ASP C 14 11.308 49.011 41.179 1.00 67.62 C +ANISOU 1961 C ASP C 14 9194 9402 7095 -1227 225 -854 C +ATOM 1962 O ASP C 14 11.205 49.118 39.957 1.00 65.55 O +ANISOU 1962 O ASP C 14 8904 9005 6996 -1244 229 -831 O +ATOM 1963 CB ASP C 14 10.956 47.089 42.788 1.00 71.68 C +ANISOU 1963 CB ASP C 14 9644 10140 7450 -965 266 -618 C +ATOM 1964 CG ASP C 14 11.607 46.013 41.926 1.00 76.88 C +ANISOU 1964 CG ASP C 14 10164 10814 8233 -837 190 -484 C +ATOM 1965 OD1 ASP C 14 12.079 46.313 40.809 1.00 76.84 O +ANISOU 1965 OD1 ASP C 14 10085 10787 8322 -876 160 -549 O +ATOM 1966 OD2 ASP C 14 11.655 44.851 42.381 1.00 81.14 O +ANISOU 1966 OD2 ASP C 14 10665 11398 8767 -690 143 -314 O +ATOM 1967 N GLU C 15 12.300 49.569 41.863 1.00 72.64 N +ANISOU 1967 N GLU C 15 9808 10255 7537 -1384 126 -928 N +ATOM 1968 CA GLU C 15 13.253 50.452 41.200 1.00 78.85 C +ANISOU 1968 CA GLU C 15 10552 11099 8309 -1626 18 -980 C +ATOM 1969 C GLU C 15 14.251 49.667 40.349 1.00 76.20 C +ANISOU 1969 C GLU C 15 9970 11019 7963 -1593 -32 -852 C +ATOM 1970 O GLU C 15 15.086 50.253 39.657 1.00 76.13 O +ANISOU 1970 O GLU C 15 9860 11151 7915 -1806 -112 -852 O +ATOM 1971 CB GLU C 15 13.971 51.335 42.221 1.00 87.73 C +ANISOU 1971 CB GLU C 15 11728 12379 9226 -1839 -89 -1119 C +ATOM 1972 CG GLU C 15 13.008 52.121 43.104 1.00 96.50 C +ANISOU 1972 CG GLU C 15 13069 13275 10323 -1826 -52 -1317 C +ATOM 1973 CD GLU C 15 13.706 53.136 43.984 1.00107.99 C +ANISOU 1973 CD GLU C 15 14602 14834 11595 -2058 -188 -1516 C +ATOM 1974 OE1 GLU C 15 14.890 53.437 43.724 1.00112.06 O +ANISOU 1974 OE1 GLU C 15 15013 15530 12033 -2299 -318 -1479 O +ATOM 1975 OE2 GLU C 15 13.067 53.643 44.931 1.00111.99 O +ANISOU 1975 OE2 GLU C 15 15258 15271 12023 -2004 -170 -1726 O +ATOM 1976 N SER C 16 14.161 48.342 40.404 1.00 72.16 N +ANISOU 1976 N SER C 16 9357 10578 7481 -1327 0 -745 N +ATOM 1977 CA SER C 16 14.921 47.490 39.500 1.00 72.56 C +ANISOU 1977 CA SER C 16 9181 10829 7560 -1201 -48 -679 C +ATOM 1978 C SER C 16 14.013 47.020 38.364 1.00 68.49 C +ANISOU 1978 C SER C 16 8691 10055 7277 -1060 33 -656 C +ATOM 1979 O SER C 16 14.343 46.085 37.633 1.00 65.17 O +ANISOU 1979 O SER C 16 8112 9734 6917 -871 4 -636 O +ATOM 1980 CB SER C 16 15.518 46.295 40.244 1.00 76.32 C +ANISOU 1980 CB SER C 16 9537 11518 7944 -969 -122 -595 C +ATOM 1981 OG SER C 16 16.206 45.434 39.353 1.00 83.14 O +ANISOU 1981 OG SER C 16 10181 12554 8853 -778 -186 -584 O +ATOM 1982 N PHE C 17 12.862 47.681 38.244 1.00 65.92 N +ANISOU 1982 N PHE C 17 8560 9412 7073 -1132 123 -684 N +ATOM 1983 CA PHE C 17 11.885 47.439 37.179 1.00 62.18 C +ANISOU 1983 CA PHE C 17 8120 8697 6807 -1040 200 -669 C +ATOM 1984 C PHE C 17 11.286 46.030 37.180 1.00 62.19 C +ANISOU 1984 C PHE C 17 8106 8589 6936 -775 230 -601 C +ATOM 1985 O PHE C 17 10.698 45.602 36.188 1.00 62.64 O +ANISOU 1985 O PHE C 17 8139 8510 7152 -684 264 -603 O +ATOM 1986 CB PHE C 17 12.511 47.740 35.814 1.00 55.43 C +ANISOU 1986 CB PHE C 17 7107 7999 5955 -1141 160 -677 C +ATOM 1987 CG PHE C 17 12.929 49.173 35.651 1.00 50.94 C +ANISOU 1987 CG PHE C 17 6586 7462 5305 -1464 109 -688 C +ATOM 1988 CD1 PHE C 17 11.982 50.164 35.453 1.00 48.99 C +ANISOU 1988 CD1 PHE C 17 6548 6885 5181 -1578 135 -699 C +ATOM 1989 CD2 PHE C 17 14.266 49.532 35.711 1.00 51.74 C +ANISOU 1989 CD2 PHE C 17 6527 7917 5215 -1657 10 -682 C +ATOM 1990 CE1 PHE C 17 12.359 51.486 35.309 1.00 50.51 C +ANISOU 1990 CE1 PHE C 17 6828 7027 5335 -1884 41 -694 C +ATOM 1991 CE2 PHE C 17 14.650 50.853 35.569 1.00 53.87 C +ANISOU 1991 CE2 PHE C 17 6861 8181 5425 -2011 -70 -665 C +ATOM 1992 CZ PHE C 17 13.695 51.831 35.367 1.00 54.64 C +ANISOU 1992 CZ PHE C 17 7209 7876 5676 -2126 -66 -666 C +ATOM 1993 N GLN C 18 11.437 45.316 38.291 1.00 64.07 N +ANISOU 1993 N GLN C 18 8362 8882 7101 -673 197 -529 N +ATOM 1994 CA GLN C 18 10.791 44.017 38.460 1.00 66.49 C +ANISOU 1994 CA GLN C 18 8701 9023 7540 -475 193 -417 C +ATOM 1995 C GLN C 18 9.342 44.183 38.913 1.00 62.80 C +ANISOU 1995 C GLN C 18 8390 8333 7140 -521 315 -369 C +ATOM 1996 O GLN C 18 9.068 44.911 39.867 1.00 64.21 O +ANISOU 1996 O GLN C 18 8649 8571 7177 -625 371 -391 O +ATOM 1997 CB GLN C 18 11.563 43.157 39.463 1.00 74.79 C +ANISOU 1997 CB GLN C 18 9707 10229 8480 -360 77 -303 C +ATOM 1998 CG GLN C 18 12.903 42.657 38.950 1.00 82.34 C +ANISOU 1998 CG GLN C 18 10469 11416 9400 -218 -61 -353 C +ATOM 1999 CD GLN C 18 12.765 41.790 37.713 1.00 86.79 C +ANISOU 1999 CD GLN C 18 10961 11841 10174 -18 -103 -416 C +ATOM 2000 OE1 GLN C 18 12.857 42.276 36.585 1.00 85.49 O +ANISOU 2000 OE1 GLN C 18 10701 11750 10033 -69 -58 -548 O +ATOM 2001 NE2 GLN C 18 12.541 40.497 37.919 1.00 89.75 N +ANISOU 2001 NE2 GLN C 18 11389 12014 10699 200 -209 -320 N +ATOM 2002 N PRO C 19 8.409 43.508 38.223 1.00 56.74 N +ANISOU 2002 N PRO C 19 7643 7343 6572 -439 351 -327 N +ATOM 2003 CA PRO C 19 6.981 43.596 38.554 1.00 56.83 C +ANISOU 2003 CA PRO C 19 7751 7201 6640 -483 469 -277 C +ATOM 2004 C PRO C 19 6.659 43.043 39.940 1.00 58.53 C +ANISOU 2004 C PRO C 19 8013 7491 6734 -498 476 -110 C +ATOM 2005 O PRO C 19 7.144 41.974 40.310 1.00 59.47 O +ANISOU 2005 O PRO C 19 8118 7613 6863 -425 361 46 O +ATOM 2006 CB PRO C 19 6.310 42.754 37.461 1.00 53.28 C +ANISOU 2006 CB PRO C 19 7277 6541 6425 -400 459 -254 C +ATOM 2007 CG PRO C 19 7.386 41.862 36.942 1.00 56.43 C +ANISOU 2007 CG PRO C 19 7593 6965 6882 -261 310 -266 C +ATOM 2008 CD PRO C 19 8.658 42.641 37.060 1.00 55.01 C +ANISOU 2008 CD PRO C 19 7335 7046 6521 -298 274 -356 C +ATOM 2009 N VAL C 20 5.843 43.776 40.691 1.00 59.99 N +ANISOU 2009 N VAL C 20 8246 7754 6795 -581 597 -144 N +ATOM 2010 CA VAL C 20 5.460 43.380 42.042 1.00 56.80 C +ANISOU 2010 CA VAL C 20 7852 7521 6207 -626 627 12 C +ATOM 2011 C VAL C 20 4.064 42.765 42.055 1.00 57.86 C +ANISOU 2011 C VAL C 20 7979 7578 6427 -659 714 156 C +ATOM 2012 O VAL C 20 3.835 41.732 42.684 1.00 61.36 O +ANISOU 2012 O VAL C 20 8418 8056 6841 -705 667 414 O +ATOM 2013 CB VAL C 20 5.499 44.576 43.013 1.00 56.04 C +ANISOU 2013 CB VAL C 20 7778 7661 5854 -688 701 -157 C +ATOM 2014 CG1 VAL C 20 5.036 44.153 44.399 1.00 56.37 C +ANISOU 2014 CG1 VAL C 20 7794 7972 5653 -738 748 2 C +ATOM 2015 CG2 VAL C 20 6.899 45.164 43.071 1.00 55.72 C +ANISOU 2015 CG2 VAL C 20 7739 7717 5716 -712 596 -279 C +ATOM 2016 N GLY C 21 3.130 43.421 41.374 1.00 57.29 N +ANISOU 2016 N GLY C 21 7898 7416 6455 -653 826 8 N +ATOM 2017 CA GLY C 21 1.774 42.918 41.252 1.00 52.76 C +ANISOU 2017 CA GLY C 21 7278 6807 5961 -696 911 120 C +ATOM 2018 C GLY C 21 1.010 43.622 40.148 1.00 52.40 C +ANISOU 2018 C GLY C 21 7213 6621 6076 -644 987 -63 C +ATOM 2019 O GLY C 21 1.351 44.741 39.766 1.00 51.40 O +ANISOU 2019 O GLY C 21 7124 6459 5945 -588 997 -277 O +ATOM 2020 N LEU C 22 -0.028 42.969 39.633 1.00 53.74 N +ANISOU 2020 N LEU C 22 7325 6707 6387 -679 1020 38 N +ATOM 2021 CA LEU C 22 -0.860 43.569 38.595 1.00 51.02 C +ANISOU 2021 CA LEU C 22 6939 6266 6182 -625 1085 -110 C +ATOM 2022 C LEU C 22 -1.867 44.536 39.210 1.00 49.49 C +ANISOU 2022 C LEU C 22 6681 6288 5834 -583 1231 -236 C +ATOM 2023 O LEU C 22 -2.193 44.436 40.393 1.00 51.29 O +ANISOU 2023 O LEU C 22 6856 6782 5848 -630 1303 -171 O +ATOM 2024 CB LEU C 22 -1.578 42.489 37.785 1.00 54.66 C +ANISOU 2024 CB LEU C 22 7345 6578 6844 -685 1048 22 C +ATOM 2025 CG LEU C 22 -0.656 41.541 37.017 1.00 54.42 C +ANISOU 2025 CG LEU C 22 7374 6310 6994 -665 883 68 C +ATOM 2026 CD1 LEU C 22 -1.459 40.525 36.221 1.00 57.24 C +ANISOU 2026 CD1 LEU C 22 7692 6497 7559 -729 828 148 C +ATOM 2027 CD2 LEU C 22 0.273 42.328 36.106 1.00 53.38 C +ANISOU 2027 CD2 LEU C 22 7264 6120 6897 -556 844 -133 C +ATOM 2028 N ILE C 23 -2.357 45.471 38.403 1.00 48.72 N +ANISOU 2028 N ILE C 23 6578 6101 5834 -478 1263 -420 N +ATOM 2029 CA ILE C 23 -3.182 46.558 38.919 1.00 53.89 C +ANISOU 2029 CA ILE C 23 7189 6920 6366 -360 1365 -611 C +ATOM 2030 C ILE C 23 -4.645 46.484 38.488 1.00 53.29 C +ANISOU 2030 C ILE C 23 6956 6943 6350 -312 1456 -610 C +ATOM 2031 O ILE C 23 -5.534 46.285 39.317 1.00 53.82 O +ANISOU 2031 O ILE C 23 6876 7325 6249 -325 1569 -580 O +ATOM 2032 CB ILE C 23 -2.621 47.926 38.488 1.00 56.30 C +ANISOU 2032 CB ILE C 23 7632 7032 6727 -247 1295 -843 C +ATOM 2033 CG1 ILE C 23 -1.164 48.070 38.933 1.00 56.45 C +ANISOU 2033 CG1 ILE C 23 7778 7006 6665 -325 1201 -853 C +ATOM 2034 CG2 ILE C 23 -3.468 49.052 39.058 1.00 56.29 C +ANISOU 2034 CG2 ILE C 23 7612 7148 6626 -71 1362 -1086 C +ATOM 2035 CD1 ILE C 23 -0.478 49.302 38.385 1.00 55.06 C +ANISOU 2035 CD1 ILE C 23 7744 6611 6565 -301 1096 -1018 C +ATOM 2036 N ALA C 24 -4.894 46.649 37.193 1.00 55.47 N +ANISOU 2036 N ALA C 24 7234 7005 6836 -265 1407 -638 N +ATOM 2037 CA ALA C 24 -6.259 46.820 36.706 1.00 57.80 C +ANISOU 2037 CA ALA C 24 7372 7405 7186 -184 1477 -677 C +ATOM 2038 C ALA C 24 -6.757 45.667 35.840 1.00 56.23 C +ANISOU 2038 C ALA C 24 7071 7160 7135 -326 1455 -494 C +ATOM 2039 O ALA C 24 -6.058 45.196 34.944 1.00 53.39 O +ANISOU 2039 O ALA C 24 6793 6564 6927 -389 1349 -439 O +ATOM 2040 CB ALA C 24 -6.369 48.128 35.934 1.00 57.20 C +ANISOU 2040 CB ALA C 24 7368 7150 7217 13 1422 -874 C +ATOM 2041 N THR C 25 -7.977 45.223 36.123 1.00 58.02 N +ANISOU 2041 N THR C 25 7099 7648 7299 -382 1548 -420 N +ATOM 2042 CA THR C 25 -8.702 44.323 35.237 1.00 59.12 C +ANISOU 2042 CA THR C 25 7119 7759 7585 -515 1519 -291 C +ATOM 2043 C THR C 25 -9.859 45.096 34.615 1.00 58.65 C +ANISOU 2043 C THR C 25 6893 7841 7549 -352 1573 -426 C +ATOM 2044 O THR C 25 -10.678 45.677 35.328 1.00 57.86 O +ANISOU 2044 O THR C 25 6643 8052 7288 -233 1685 -518 O +ATOM 2045 CB THR C 25 -9.236 43.085 35.980 1.00 63.55 C +ANISOU 2045 CB THR C 25 7563 8515 8067 -776 1552 -46 C +ATOM 2046 OG1 THR C 25 -8.138 42.271 36.409 1.00 65.11 O +ANISOU 2046 OG1 THR C 25 7934 8517 8288 -908 1455 106 O +ATOM 2047 CG2 THR C 25 -10.141 42.266 35.071 1.00 60.46 C +ANISOU 2047 CG2 THR C 25 7037 8106 7829 -933 1510 56 C +ATOM 2048 N VAL C 26 -9.924 45.108 33.288 1.00 56.03 N +ANISOU 2048 N VAL C 26 6570 7320 7399 -326 1486 -451 N +ATOM 2049 CA VAL C 26 -10.909 45.928 32.592 1.00 54.26 C +ANISOU 2049 CA VAL C 26 6207 7200 7209 -140 1502 -567 C +ATOM 2050 C VAL C 26 -11.706 45.122 31.573 1.00 57.28 C +ANISOU 2050 C VAL C 26 6424 7635 7703 -275 1464 -478 C +ATOM 2051 O VAL C 26 -11.138 44.379 30.776 1.00 53.20 O +ANISOU 2051 O VAL C 26 5994 6904 7316 -414 1361 -417 O +ATOM 2052 CB VAL C 26 -10.233 47.117 31.869 1.00 54.53 C +ANISOU 2052 CB VAL C 26 6417 6969 7332 62 1405 -697 C +ATOM 2053 CG1 VAL C 26 -11.251 47.912 31.064 1.00 56.08 C +ANISOU 2053 CG1 VAL C 26 6484 7237 7587 264 1381 -777 C +ATOM 2054 CG2 VAL C 26 -9.523 48.017 32.870 1.00 58.54 C +ANISOU 2054 CG2 VAL C 26 7091 7412 7739 186 1419 -819 C +ATOM 2055 N ALA C 27 -13.026 45.281 31.605 1.00 57.51 N +ANISOU 2055 N ALA C 27 6199 7983 7670 -221 1539 -498 N +ATOM 2056 CA ALA C 27 -13.894 44.725 30.575 1.00 54.38 C +ANISOU 2056 CA ALA C 27 5618 7677 7366 -327 1494 -445 C +ATOM 2057 C ALA C 27 -14.466 45.860 29.739 1.00 54.01 C +ANISOU 2057 C ALA C 27 5488 7679 7354 -37 1461 -578 C +ATOM 2058 O ALA C 27 -14.961 46.844 30.281 1.00 56.88 O +ANISOU 2058 O ALA C 27 5776 8209 7626 224 1524 -699 O +ATOM 2059 CB ALA C 27 -15.008 43.900 31.192 1.00 55.80 C +ANISOU 2059 CB ALA C 27 5529 8233 7440 -545 1584 -321 C +ATOM 2060 N VAL C 28 -14.397 45.722 28.419 1.00 51.59 N +ANISOU 2060 N VAL C 28 5194 7234 7175 -66 1346 -564 N +ATOM 2061 CA VAL C 28 -14.863 46.775 27.524 1.00 52.76 C +ANISOU 2061 CA VAL C 28 5283 7404 7361 192 1278 -638 C +ATOM 2062 C VAL C 28 -15.931 46.306 26.540 1.00 51.43 C +ANISOU 2062 C VAL C 28 4852 7469 7219 119 1238 -602 C +ATOM 2063 O VAL C 28 -15.962 45.141 26.147 1.00 52.08 O +ANISOU 2063 O VAL C 28 4882 7562 7343 -164 1208 -538 O +ATOM 2064 CB VAL C 28 -13.695 47.371 26.713 1.00 46.59 C +ANISOU 2064 CB VAL C 28 4760 6278 6665 254 1152 -639 C +ATOM 2065 CG1 VAL C 28 -12.701 48.055 27.636 1.00 47.25 C +ANISOU 2065 CG1 VAL C 28 5088 6146 6719 342 1170 -689 C +ATOM 2066 CG2 VAL C 28 -13.010 46.287 25.895 1.00 42.84 C +ANISOU 2066 CG2 VAL C 28 4338 5690 6250 0 1081 -581 C +ATOM 2067 N LEU C 29 -16.816 47.221 26.159 1.00 49.69 N +ANISOU 2067 N LEU C 29 4470 7428 6981 385 1216 -657 N +ATOM 2068 CA LEU C 29 -17.703 46.991 25.028 1.00 53.81 C +ANISOU 2068 CA LEU C 29 4759 8161 7526 358 1142 -626 C +ATOM 2069 C LEU C 29 -17.132 47.704 23.812 1.00 45.72 C +ANISOU 2069 C LEU C 29 3888 6908 6576 486 986 -602 C +ATOM 2070 O LEU C 29 -16.894 48.912 23.848 1.00 51.94 O +ANISOU 2070 O LEU C 29 4812 7534 7388 763 928 -621 O +ATOM 2071 CB LEU C 29 -19.122 47.485 25.314 1.00 50.01 C +ANISOU 2071 CB LEU C 29 3947 8096 6957 577 1200 -683 C +ATOM 2072 CG LEU C 29 -19.998 47.623 24.064 1.00 51.38 C +ANISOU 2072 CG LEU C 29 3891 8482 7150 651 1090 -658 C +ATOM 2073 CD1 LEU C 29 -20.291 46.260 23.451 1.00 51.23 C +ANISOU 2073 CD1 LEU C 29 3721 8608 7137 250 1069 -591 C +ATOM 2074 CD2 LEU C 29 -21.289 48.371 24.371 1.00 67.79 C +ANISOU 2074 CD2 LEU C 29 5653 10959 9144 979 1126 -740 C +ATOM 2075 N VAL C 30 -16.914 46.957 22.736 1.00 44.80 N +ANISOU 2075 N VAL C 30 3749 6786 6488 274 901 -560 N +ATOM 2076 CA VAL C 30 -16.335 47.529 21.529 1.00 46.69 C +ANISOU 2076 CA VAL C 30 4098 6897 6745 342 757 -511 C +ATOM 2077 C VAL C 30 -17.255 47.348 20.330 1.00 47.12 C +ANISOU 2077 C VAL C 30 3896 7241 6767 328 665 -487 C +ATOM 2078 O VAL C 30 -17.688 46.237 20.026 1.00 47.77 O +ANISOU 2078 O VAL C 30 3813 7498 6839 93 672 -531 O +ATOM 2079 CB VAL C 30 -14.966 46.902 21.212 1.00 41.71 C +ANISOU 2079 CB VAL C 30 3682 6037 6129 131 724 -514 C +ATOM 2080 CG1 VAL C 30 -14.427 47.440 19.896 1.00 41.48 C +ANISOU 2080 CG1 VAL C 30 3703 5997 6062 162 584 -447 C +ATOM 2081 CG2 VAL C 30 -13.992 47.168 22.347 1.00 40.33 C +ANISOU 2081 CG2 VAL C 30 3755 5597 5972 153 796 -525 C +ATOM 2082 N GLU C 31 -17.545 48.454 19.654 1.00 54.25 N +ANISOU 2082 N GLU C 31 4777 8177 7659 572 554 -410 N +ATOM 2083 CA GLU C 31 -18.391 48.439 18.469 1.00 58.82 C +ANISOU 2083 CA GLU C 31 5109 9056 8184 593 444 -363 C +ATOM 2084 C GLU C 31 -17.668 49.113 17.309 1.00 59.75 C +ANISOU 2084 C GLU C 31 5362 9076 8265 628 283 -229 C +ATOM 2085 O GLU C 31 -16.607 49.709 17.498 1.00 60.73 O +ANISOU 2085 O GLU C 31 5760 8899 8416 650 257 -163 O +ATOM 2086 CB GLU C 31 -19.724 49.137 18.748 1.00 55.60 C +ANISOU 2086 CB GLU C 31 4461 8892 7771 888 441 -364 C +ATOM 2087 CG GLU C 31 -20.499 48.553 19.919 1.00 62.75 C +ANISOU 2087 CG GLU C 31 5176 10005 8660 845 611 -477 C +ATOM 2088 CD GLU C 31 -21.836 49.237 20.137 1.00 72.15 C +ANISOU 2088 CD GLU C 31 6066 11536 9810 1169 610 -510 C +ATOM 2089 OE1 GLU C 31 -22.719 49.114 19.262 1.00 80.60 O +ANISOU 2089 OE1 GLU C 31 6855 12939 10829 1179 527 -475 O +ATOM 2090 OE2 GLU C 31 -22.002 49.899 21.183 1.00 73.07 O +ANISOU 2090 OE2 GLU C 31 6211 11618 9934 1430 686 -594 O +ATOM 2091 N LYS C 32 -18.238 49.000 16.112 1.00 59.62 N +ANISOU 2091 N LYS C 32 5137 9354 8163 601 170 -176 N +ATOM 2092 CA LYS C 32 -17.719 49.677 14.925 1.00 61.49 C +ANISOU 2092 CA LYS C 32 5444 9605 8316 623 4 -2 C +ATOM 2093 C LYS C 32 -17.534 51.169 15.212 1.00 60.81 C +ANISOU 2093 C LYS C 32 5564 9230 8310 901 -96 177 C +ATOM 2094 O LYS C 32 -18.395 51.785 15.840 1.00 59.08 O +ANISOU 2094 O LYS C 32 5288 8979 8180 1184 -98 157 O +ATOM 2095 CB LYS C 32 -18.670 49.458 13.741 1.00 52.62 C +ANISOU 2095 CB LYS C 32 4012 8908 7075 612 -108 34 C +ATOM 2096 CG LYS C 32 -18.319 50.228 12.478 1.00 53.99 C +ANISOU 2096 CG LYS C 32 4209 9184 7121 643 -297 264 C +ATOM 2097 CD LYS C 32 -19.183 49.807 11.302 1.00 56.11 C +ANISOU 2097 CD LYS C 32 4152 9932 7234 586 -398 265 C +ATOM 2098 CE LYS C 32 -18.917 50.685 10.092 1.00 58.05 C +ANISOU 2098 CE LYS C 32 4407 10322 7328 632 -600 550 C +ATOM 2099 NZ LYS C 32 -19.664 50.224 8.891 1.00 60.21 N +ANISOU 2099 NZ LYS C 32 4353 11118 7405 553 -703 540 N +ATOM 2100 N PRO C 33 -16.414 51.761 14.755 1.00 57.81 N +ANISOU 2100 N PRO C 33 5419 8649 7896 821 -196 345 N +ATOM 2101 CA PRO C 33 -15.352 51.211 13.902 1.00 55.83 C +ANISOU 2101 CA PRO C 33 5201 8516 7496 530 -212 379 C +ATOM 2102 C PRO C 33 -14.206 50.507 14.636 1.00 58.06 C +ANISOU 2102 C PRO C 33 5653 8608 7798 342 -70 222 C +ATOM 2103 O PRO C 33 -13.104 50.438 14.090 1.00 56.49 O +ANISOU 2103 O PRO C 33 5536 8442 7484 167 -103 279 O +ATOM 2104 CB PRO C 33 -14.831 52.454 13.182 1.00 54.55 C +ANISOU 2104 CB PRO C 33 5191 8252 7284 564 -409 697 C +ATOM 2105 CG PRO C 33 -14.979 53.533 14.196 1.00 59.85 C +ANISOU 2105 CG PRO C 33 6089 8495 8158 815 -450 752 C +ATOM 2106 CD PRO C 33 -16.211 53.199 15.007 1.00 52.61 C +ANISOU 2106 CD PRO C 33 4998 7646 7344 1045 -338 533 C +ATOM 2107 N TYR C 34 -14.462 50.008 15.842 1.00 57.87 N +ANISOU 2107 N TYR C 34 5659 8432 7896 380 79 42 N +ATOM 2108 CA TYR C 34 -13.517 49.143 16.553 1.00 55.17 C +ANISOU 2108 CA TYR C 34 5443 7945 7575 207 204 -111 C +ATOM 2109 C TYR C 34 -12.157 49.789 16.824 1.00 55.13 C +ANISOU 2109 C TYR C 34 5702 7685 7560 160 181 -16 C +ATOM 2110 O TYR C 34 -11.122 49.132 16.712 1.00 46.33 O +ANISOU 2110 O TYR C 34 4637 6589 6378 -11 216 -92 O +ATOM 2111 CB TYR C 34 -13.305 47.839 15.776 1.00 55.13 C +ANISOU 2111 CB TYR C 34 5290 8181 7477 -5 210 -261 C +ATOM 2112 CG TYR C 34 -14.579 47.215 15.256 1.00 59.13 C +ANISOU 2112 CG TYR C 34 5523 8975 7968 -22 189 -342 C +ATOM 2113 CD1 TYR C 34 -15.468 46.586 16.118 1.00 62.02 C +ANISOU 2113 CD1 TYR C 34 5793 9333 8439 -36 284 -448 C +ATOM 2114 CD2 TYR C 34 -14.889 47.248 13.903 1.00 57.85 C +ANISOU 2114 CD2 TYR C 34 5179 9139 7662 -53 67 -300 C +ATOM 2115 CE1 TYR C 34 -16.633 46.013 15.648 1.00 62.29 C +ANISOU 2115 CE1 TYR C 34 5556 9658 8452 -94 255 -511 C +ATOM 2116 CE2 TYR C 34 -16.052 46.677 13.423 1.00 61.64 C +ANISOU 2116 CE2 TYR C 34 5396 9906 8119 -86 35 -385 C +ATOM 2117 CZ TYR C 34 -16.920 46.061 14.300 1.00 62.09 C +ANISOU 2117 CZ TYR C 34 5362 9932 8299 -114 127 -492 C +ATOM 2118 OH TYR C 34 -18.078 45.490 13.827 1.00 60.52 O +ANISOU 2118 OH TYR C 34 4881 10046 8069 -190 86 -566 O +ATOM 2119 N LYS C 35 -12.155 51.070 17.177 1.00 59.38 N +ANISOU 2119 N LYS C 35 6404 7988 8168 316 105 134 N +ATOM 2120 CA LYS C 35 -10.909 51.759 17.501 1.00 51.47 C +ANISOU 2120 CA LYS C 35 5660 6727 7169 237 64 234 C +ATOM 2121 C LYS C 35 -10.804 52.037 18.996 1.00 52.70 C +ANISOU 2121 C LYS C 35 5997 6572 7454 349 154 115 C +ATOM 2122 O LYS C 35 -9.709 52.229 19.525 1.00 54.52 O +ANISOU 2122 O LYS C 35 6419 6616 7682 242 167 118 O +ATOM 2123 CB LYS C 35 -10.785 53.070 16.720 1.00 44.98 C +ANISOU 2123 CB LYS C 35 4941 5818 6331 268 -144 521 C +ATOM 2124 CG LYS C 35 -10.654 52.903 15.215 1.00 45.99 C +ANISOU 2124 CG LYS C 35 4898 6307 6268 111 -245 686 C +ATOM 2125 CD LYS C 35 -10.605 54.255 14.520 1.00 49.21 C +ANISOU 2125 CD LYS C 35 5423 6606 6667 125 -477 1037 C +ATOM 2126 CE LYS C 35 -10.440 54.105 13.017 1.00 57.56 C +ANISOU 2126 CE LYS C 35 6288 8102 7481 -58 -576 1232 C +ATOM 2127 NZ LYS C 35 -10.392 55.426 12.331 1.00 66.52 N +ANISOU 2127 NZ LYS C 35 7546 9128 8601 -82 -830 1645 N +ATOM 2128 N THR C 36 -11.947 52.056 19.673 1.00 56.63 N +ANISOU 2128 N THR C 36 6406 7072 8037 562 217 2 N +ATOM 2129 CA THR C 36 -11.988 52.396 21.090 1.00 54.96 C +ANISOU 2129 CA THR C 36 6329 6643 7910 704 301 -131 C +ATOM 2130 C THR C 36 -13.177 51.756 21.799 1.00 50.34 C +ANISOU 2130 C THR C 36 5526 6268 7333 825 446 -294 C +ATOM 2131 O THR C 36 -13.881 50.923 21.229 1.00 44.14 O +ANISOU 2131 O THR C 36 4501 5766 6505 750 482 -304 O +ATOM 2132 CB THR C 36 -12.048 53.923 21.292 1.00 55.73 C +ANISOU 2132 CB THR C 36 6632 6430 8112 932 140 -60 C +ATOM 2133 OG1 THR C 36 -11.970 54.226 22.690 1.00 54.86 O +ANISOU 2133 OG1 THR C 36 6656 6133 8057 1066 220 -243 O +ATOM 2134 CG2 THR C 36 -13.345 54.485 20.726 1.00 59.37 C +ANISOU 2134 CG2 THR C 36 6938 6993 8626 1206 31 -11 C +ATOM 2135 N SER C 37 -13.390 52.154 23.049 1.00 50.62 N +ANISOU 2135 N SER C 37 5631 6199 7403 994 520 -426 N +ATOM 2136 CA SER C 37 -14.524 51.680 23.833 1.00 51.77 C +ANISOU 2136 CA SER C 37 5544 6611 7515 1108 663 -565 C +ATOM 2137 C SER C 37 -15.107 52.828 24.648 1.00 55.25 C +ANISOU 2137 C SER C 37 6024 6972 7996 1475 637 -698 C +ATOM 2138 O SER C 37 -14.375 53.561 25.313 1.00 52.94 O +ANISOU 2138 O SER C 37 5988 6383 7744 1551 595 -762 O +ATOM 2139 CB SER C 37 -14.106 50.532 24.753 1.00 46.82 C +ANISOU 2139 CB SER C 37 4907 6060 6823 871 833 -630 C +ATOM 2140 OG SER C 37 -15.185 50.113 25.571 1.00 51.46 O +ANISOU 2140 OG SER C 37 5257 6949 7346 934 969 -723 O +ATOM 2141 N LYS C 38 -16.426 52.980 24.594 1.00 60.01 N +ANISOU 2141 N LYS C 38 6359 7857 8584 1714 648 -765 N +ATOM 2142 CA LYS C 38 -17.099 54.042 25.332 1.00 61.36 C +ANISOU 2142 CA LYS C 38 6519 8009 8785 2135 613 -948 C +ATOM 2143 C LYS C 38 -17.864 53.488 26.530 1.00 63.30 C +ANISOU 2143 C LYS C 38 6503 8662 8886 2191 830 -1139 C +ATOM 2144 O LYS C 38 -18.450 54.240 27.308 1.00 68.77 O +ANISOU 2144 O LYS C 38 7133 9443 9553 2554 839 -1355 O +ATOM 2145 CB LYS C 38 -18.045 54.811 24.410 1.00 61.24 C +ANISOU 2145 CB LYS C 38 6375 8046 8848 2447 436 -897 C +ATOM 2146 CG LYS C 38 -17.352 55.424 23.202 1.00 65.13 C +ANISOU 2146 CG LYS C 38 7109 8182 9454 2375 202 -655 C +ATOM 2147 CD LYS C 38 -16.401 56.538 23.604 1.00 72.22 C +ANISOU 2147 CD LYS C 38 8412 8550 10478 2470 47 -668 C +ATOM 2148 CE LYS C 38 -16.089 57.441 22.422 1.00 81.12 C +ANISOU 2148 CE LYS C 38 9734 9363 11726 2491 -239 -401 C +ATOM 2149 NZ LYS C 38 -14.736 58.055 22.530 1.00 85.44 N +ANISOU 2149 NZ LYS C 38 10674 9441 12349 2295 -364 -296 N +ATOM 2150 N ARG C 39 -17.848 52.167 26.671 1.00 60.84 N +ANISOU 2150 N ARG C 39 6037 8607 8472 1828 989 -1059 N +ATOM 2151 CA ARG C 39 -18.563 51.493 27.748 1.00 63.37 C +ANISOU 2151 CA ARG C 39 6085 9365 8626 1776 1191 -1158 C +ATOM 2152 C ARG C 39 -17.677 50.411 28.349 1.00 58.35 C +ANISOU 2152 C ARG C 39 5571 8666 7933 1372 1306 -1066 C +ATOM 2153 O ARG C 39 -17.308 49.454 27.668 1.00 56.00 O +ANISOU 2153 O ARG C 39 5295 8299 7682 1045 1285 -907 O +ATOM 2154 CB ARG C 39 -19.870 50.889 27.229 1.00 69.54 C +ANISOU 2154 CB ARG C 39 6453 10628 9341 1733 1234 -1107 C +ATOM 2155 CG ARG C 39 -20.692 50.154 28.278 1.00 75.55 C +ANISOU 2155 CG ARG C 39 6882 11923 9902 1615 1436 -1158 C +ATOM 2156 CD ARG C 39 -21.232 51.107 29.331 1.00 86.91 C +ANISOU 2156 CD ARG C 39 8201 13603 11219 2042 1505 -1413 C +ATOM 2157 NE ARG C 39 -21.883 50.398 30.430 1.00 97.07 N +ANISOU 2157 NE ARG C 39 9163 15462 12258 1885 1715 -1439 N +ATOM 2158 CZ ARG C 39 -21.303 50.129 31.596 1.00 98.27 C +ANISOU 2158 CZ ARG C 39 9420 15642 12277 1746 1839 -1466 C +ATOM 2159 NH1 ARG C 39 -21.973 49.478 32.537 1.00 98.77 N +ANISOU 2159 NH1 ARG C 39 9151 16295 12083 1573 2022 -1443 N +ATOM 2160 NH2 ARG C 39 -20.055 50.515 31.822 1.00 95.89 N +ANISOU 2160 NH2 ARG C 39 9536 14820 12077 1759 1774 -1498 N +ATOM 2161 N PHE C 40 -17.334 50.561 29.624 1.00 56.42 N +ANISOU 2161 N PHE C 40 5405 8450 7583 1415 1409 -1181 N +ATOM 2162 CA PHE C 40 -16.363 49.669 30.243 1.00 52.36 C +ANISOU 2162 CA PHE C 40 5049 7824 7022 1075 1484 -1079 C +ATOM 2163 C PHE C 40 -16.483 49.604 31.762 1.00 54.97 C +ANISOU 2163 C PHE C 40 5300 8437 7149 1097 1640 -1183 C +ATOM 2164 O PHE C 40 -17.013 50.515 32.399 1.00 61.11 O +ANISOU 2164 O PHE C 40 5988 9397 7833 1436 1674 -1405 O +ATOM 2165 CB PHE C 40 -14.942 50.095 29.859 1.00 46.76 C +ANISOU 2165 CB PHE C 40 4721 6603 6441 1037 1357 -1049 C +ATOM 2166 CG PHE C 40 -14.726 51.583 29.893 1.00 52.72 C +ANISOU 2166 CG PHE C 40 5667 7097 7267 1383 1239 -1206 C +ATOM 2167 CD1 PHE C 40 -14.443 52.229 31.085 1.00 49.39 C +ANISOU 2167 CD1 PHE C 40 5359 6645 6762 1551 1278 -1399 C +ATOM 2168 CD2 PHE C 40 -14.807 52.335 28.732 1.00 52.07 C +ANISOU 2168 CD2 PHE C 40 5660 6790 7333 1529 1065 -1155 C +ATOM 2169 CE1 PHE C 40 -14.244 53.597 31.120 1.00 51.09 C +ANISOU 2169 CE1 PHE C 40 5783 6555 7074 1862 1130 -1567 C +ATOM 2170 CE2 PHE C 40 -14.611 53.705 28.760 1.00 50.03 C +ANISOU 2170 CE2 PHE C 40 5613 6223 7173 1826 911 -1269 C +ATOM 2171 CZ PHE C 40 -14.329 54.336 29.955 1.00 51.48 C +ANISOU 2171 CZ PHE C 40 5932 6322 7306 1995 936 -1489 C +ATOM 2172 N LEU C 41 -15.983 48.511 32.329 1.00 54.25 N +ANISOU 2172 N LEU C 41 5239 8389 6983 745 1718 -1027 N +ATOM 2173 CA LEU C 41 -15.909 48.340 33.774 1.00 55.16 C +ANISOU 2173 CA LEU C 41 5304 8776 6877 698 1855 -1067 C +ATOM 2174 C LEU C 41 -14.461 48.123 34.191 1.00 58.02 C +ANISOU 2174 C LEU C 41 5999 8777 7270 539 1812 -1003 C +ATOM 2175 O LEU C 41 -13.641 47.670 33.392 1.00 53.06 O +ANISOU 2175 O LEU C 41 5564 7785 6812 367 1706 -874 O +ATOM 2176 CB LEU C 41 -16.771 47.163 34.232 1.00 54.88 C +ANISOU 2176 CB LEU C 41 4952 9215 6683 388 1979 -878 C +ATOM 2177 CG LEU C 41 -18.236 47.156 33.793 1.00 60.32 C +ANISOU 2177 CG LEU C 41 5250 10348 7319 460 2026 -899 C +ATOM 2178 CD1 LEU C 41 -18.931 45.896 34.284 1.00 62.62 C +ANISOU 2178 CD1 LEU C 41 5258 11080 7453 43 2129 -655 C +ATOM 2179 CD2 LEU C 41 -18.952 48.398 34.298 1.00 58.94 C +ANISOU 2179 CD2 LEU C 41 4897 10495 7002 933 2088 -1204 C +ATOM 2180 N VAL C 42 -14.144 48.443 35.440 1.00 59.83 N +ANISOU 2180 N VAL C 42 6268 9155 7311 607 1891 -1112 N +ATOM 2181 CA VAL C 42 -12.796 48.222 35.944 1.00 57.47 C +ANISOU 2181 CA VAL C 42 6248 8583 7006 455 1851 -1049 C +ATOM 2182 C VAL C 42 -12.821 47.591 37.333 1.00 60.98 C +ANISOU 2182 C VAL C 42 6580 9409 7179 285 1981 -965 C +ATOM 2183 O VAL C 42 -13.652 47.933 38.175 1.00 61.90 O +ANISOU 2183 O VAL C 42 6463 9994 7061 421 2106 -1098 O +ATOM 2184 CB VAL C 42 -11.984 49.539 35.976 1.00 57.04 C +ANISOU 2184 CB VAL C 42 6462 8192 7017 721 1751 -1288 C +ATOM 2185 CG1 VAL C 42 -12.634 50.558 36.902 1.00 57.90 C +ANISOU 2185 CG1 VAL C 42 6466 8582 6952 1053 1816 -1596 C +ATOM 2186 CG2 VAL C 42 -10.536 49.273 36.377 1.00 53.50 C +ANISOU 2186 CG2 VAL C 42 6276 7487 6565 536 1696 -1209 C +ATOM 2187 N LYS C 43 -11.912 46.650 37.556 1.00 65.12 N +ANISOU 2187 N LYS C 43 7254 9766 7722 -5 1942 -737 N +ATOM 2188 CA LYS C 43 -11.745 46.047 38.867 1.00 65.85 C +ANISOU 2188 CA LYS C 43 7287 10172 7560 -190 2028 -602 C +ATOM 2189 C LYS C 43 -10.280 46.143 39.280 1.00 58.65 C +ANISOU 2189 C LYS C 43 6669 8959 6656 -215 1943 -605 C +ATOM 2190 O LYS C 43 -9.398 45.634 38.587 1.00 57.74 O +ANISOU 2190 O LYS C 43 6747 8446 6747 -335 1820 -478 O +ATOM 2191 CB LYS C 43 -12.208 44.588 38.846 1.00 68.64 C +ANISOU 2191 CB LYS C 43 7501 10662 7917 -569 2035 -243 C +ATOM 2192 CG LYS C 43 -12.075 43.859 40.172 1.00 73.60 C +ANISOU 2192 CG LYS C 43 8065 11621 8278 -817 2098 -12 C +ATOM 2193 CD LYS C 43 -11.955 42.357 39.951 1.00 79.11 C +ANISOU 2193 CD LYS C 43 8810 12136 9111 -1214 1992 382 C +ATOM 2194 CE LYS C 43 -12.156 41.577 41.241 1.00 84.98 C +ANISOU 2194 CE LYS C 43 9428 13291 9570 -1514 2048 694 C +ATOM 2195 NZ LYS C 43 -12.621 40.182 40.996 1.00 86.41 N +ANISOU 2195 NZ LYS C 43 9559 13400 9871 -1932 1950 1090 N +ATOM 2196 N TYR C 44 -10.021 46.795 40.408 1.00 56.69 N +ANISOU 2196 N TYR C 44 6431 8942 6165 -92 2005 -774 N +ATOM 2197 CA TYR C 44 -8.651 46.981 40.868 1.00 56.44 C +ANISOU 2197 CA TYR C 44 6652 8681 6110 -113 1922 -802 C +ATOM 2198 C TYR C 44 -8.210 45.840 41.771 1.00 59.60 C +ANISOU 2198 C TYR C 44 7035 9269 6341 -398 1934 -495 C +ATOM 2199 O TYR C 44 -8.988 45.335 42.580 1.00 65.63 O +ANISOU 2199 O TYR C 44 7578 10494 6865 -527 2046 -353 O +ATOM 2200 CB TYR C 44 -8.498 48.313 41.609 1.00 57.98 C +ANISOU 2200 CB TYR C 44 6901 8988 6142 161 1944 -1172 C +ATOM 2201 CG TYR C 44 -8.727 49.532 40.746 1.00 58.67 C +ANISOU 2201 CG TYR C 44 7083 8772 6436 452 1868 -1461 C +ATOM 2202 CD1 TYR C 44 -7.731 50.002 39.899 1.00 56.39 C +ANISOU 2202 CD1 TYR C 44 7063 7971 6391 455 1709 -1482 C +ATOM 2203 CD2 TYR C 44 -9.932 50.220 40.785 1.00 60.18 C +ANISOU 2203 CD2 TYR C 44 7083 9213 6568 724 1939 -1696 C +ATOM 2204 CE1 TYR C 44 -7.932 51.117 39.108 1.00 58.19 C +ANISOU 2204 CE1 TYR C 44 7396 7904 6810 685 1609 -1686 C +ATOM 2205 CE2 TYR C 44 -10.142 51.338 39.998 1.00 61.38 C +ANISOU 2205 CE2 TYR C 44 7345 9045 6931 1009 1831 -1932 C +ATOM 2206 CZ TYR C 44 -9.139 51.782 39.162 1.00 61.13 C +ANISOU 2206 CZ TYR C 44 7610 8464 7151 970 1658 -1905 C +ATOM 2207 OH TYR C 44 -9.345 52.894 38.378 1.00 61.80 O +ANISOU 2207 OH TYR C 44 7820 8213 7447 1217 1522 -2082 O +ATOM 2208 N ALA C 45 -6.955 45.437 41.622 1.00 57.90 N +ANISOU 2208 N ALA C 45 7041 8717 6240 -499 1806 -376 N +ATOM 2209 CA ALA C 45 -6.359 44.454 42.511 1.00 61.89 C +ANISOU 2209 CA ALA C 45 7573 9343 6599 -722 1773 -90 C +ATOM 2210 C ALA C 45 -5.424 45.156 43.481 1.00 67.62 C +ANISOU 2210 C ALA C 45 8403 10183 7106 -630 1764 -256 C +ATOM 2211 O ALA C 45 -5.169 46.354 43.351 1.00 68.19 O +ANISOU 2211 O ALA C 45 8560 10157 7191 -418 1759 -590 O +ATOM 2212 CB ALA C 45 -5.613 43.392 41.718 1.00 54.61 C +ANISOU 2212 CB ALA C 45 6800 7999 5949 -869 1613 152 C +ATOM 2213 N ASP C 46 -4.923 44.415 44.460 1.00 70.71 N +ANISOU 2213 N ASP C 46 8795 10774 7299 -804 1740 -11 N +ATOM 2214 CA ASP C 46 -3.872 44.930 45.324 1.00 73.02 C +ANISOU 2214 CA ASP C 46 9194 11159 7393 -750 1699 -136 C +ATOM 2215 C ASP C 46 -2.532 44.407 44.830 1.00 70.91 C +ANISOU 2215 C ASP C 46 9124 10486 7332 -805 1521 5 C +ATOM 2216 O ASP C 46 -2.213 43.234 45.021 1.00 73.79 O +ANISOU 2216 O ASP C 46 9505 10811 7721 -969 1434 348 O +ATOM 2217 CB ASP C 46 -4.103 44.528 46.780 1.00 78.03 C +ANISOU 2217 CB ASP C 46 9678 12347 7621 -885 1776 35 C +ATOM 2218 CG ASP C 46 -3.026 45.059 47.705 1.00 80.17 C +ANISOU 2218 CG ASP C 46 10044 12760 7656 -835 1726 -110 C +ATOM 2219 OD1 ASP C 46 -2.466 46.137 47.413 1.00 77.14 O +ANISOU 2219 OD1 ASP C 46 9792 12165 7354 -655 1684 -470 O +ATOM 2220 OD2 ASP C 46 -2.736 44.399 48.724 1.00 84.85 O +ANISOU 2220 OD2 ASP C 46 10580 13678 7980 -996 1710 154 O +ATOM 2221 N PRO C 47 -1.748 45.279 44.178 1.00 66.48 N +ANISOU 2221 N PRO C 47 8707 9632 6921 -668 1449 -255 N +ATOM 2222 CA PRO C 47 -0.456 44.893 43.602 1.00 62.66 C +ANISOU 2222 CA PRO C 47 8363 8831 6613 -696 1290 -169 C +ATOM 2223 C PRO C 47 0.518 44.382 44.657 1.00 63.46 C +ANISOU 2223 C PRO C 47 8490 9117 6504 -780 1210 -4 C +ATOM 2224 O PRO C 47 1.389 43.568 44.353 1.00 68.93 O +ANISOU 2224 O PRO C 47 9243 9624 7322 -814 1072 180 O +ATOM 2225 CB PRO C 47 0.057 46.196 42.976 1.00 64.84 C +ANISOU 2225 CB PRO C 47 8747 8905 6986 -574 1255 -494 C +ATOM 2226 CG PRO C 47 -1.153 47.057 42.815 1.00 64.27 C +ANISOU 2226 CG PRO C 47 8617 8884 6920 -452 1369 -711 C +ATOM 2227 CD PRO C 47 -2.046 46.704 43.959 1.00 65.46 C +ANISOU 2227 CD PRO C 47 8608 9466 6797 -482 1498 -641 C +ATOM 2228 N TYR C 48 0.362 44.854 45.889 1.00 61.38 N +ANISOU 2228 N TYR C 48 8167 9244 5910 -790 1287 -86 N +ATOM 2229 CA TYR C 48 1.289 44.516 46.961 1.00 63.14 C +ANISOU 2229 CA TYR C 48 8402 9705 5885 -865 1209 51 C +ATOM 2230 C TYR C 48 0.918 43.213 47.663 1.00 70.76 C +ANISOU 2230 C TYR C 48 9282 10880 6723 -1027 1195 484 C +ATOM 2231 O TYR C 48 1.696 42.684 48.457 1.00 78.98 O +ANISOU 2231 O TYR C 48 10338 12077 7595 -1097 1093 695 O +ATOM 2232 CB TYR C 48 1.370 45.671 47.959 1.00 63.97 C +ANISOU 2232 CB TYR C 48 8484 10154 5668 -805 1277 -270 C +ATOM 2233 CG TYR C 48 1.776 46.966 47.296 1.00 65.51 C +ANISOU 2233 CG TYR C 48 8802 10074 6014 -682 1241 -665 C +ATOM 2234 CD1 TYR C 48 3.109 47.228 47.008 1.00 66.86 C +ANISOU 2234 CD1 TYR C 48 9086 10053 6263 -711 1094 -718 C +ATOM 2235 CD2 TYR C 48 0.828 47.915 46.933 1.00 65.46 C +ANISOU 2235 CD2 TYR C 48 8793 10001 6079 -547 1333 -962 C +ATOM 2236 CE1 TYR C 48 3.491 48.402 46.391 1.00 67.12 C +ANISOU 2236 CE1 TYR C 48 9237 9830 6434 -663 1037 -1024 C +ATOM 2237 CE2 TYR C 48 1.201 49.095 46.315 1.00 67.23 C +ANISOU 2237 CE2 TYR C 48 9162 9916 6467 -458 1258 -1276 C +ATOM 2238 CZ TYR C 48 2.534 49.332 46.047 1.00 69.19 C +ANISOU 2238 CZ TYR C 48 9533 9971 6786 -544 1109 -1289 C +ATOM 2239 OH TYR C 48 2.913 50.503 45.433 1.00 70.12 O +ANISOU 2239 OH TYR C 48 9799 9782 7063 -518 1013 -1550 O +ATOM 2240 N ASN C 49 -0.272 42.699 47.370 1.00 72.37 N +ANISOU 2240 N ASN C 49 9395 11095 7009 -1105 1280 639 N +ATOM 2241 CA ASN C 49 -0.636 41.354 47.794 1.00 75.89 C +ANISOU 2241 CA ASN C 49 9792 11621 7422 -1316 1221 1110 C +ATOM 2242 C ASN C 49 -1.166 40.573 46.599 1.00 73.91 C +ANISOU 2242 C ASN C 49 9582 10943 7557 -1364 1162 1249 C +ATOM 2243 O ASN C 49 -2.261 40.012 46.637 1.00 75.55 O +ANISOU 2243 O ASN C 49 9680 11266 7759 -1533 1220 1461 O +ATOM 2244 CB ASN C 49 -1.666 41.387 48.923 1.00 81.26 C +ANISOU 2244 CB ASN C 49 10268 12897 7711 -1459 1380 1225 C +ATOM 2245 CG ASN C 49 -1.606 40.151 49.801 1.00 87.97 C +ANISOU 2245 CG ASN C 49 11089 13941 8395 -1719 1275 1760 C +ATOM 2246 OD1 ASN C 49 -2.373 39.205 49.617 1.00 91.93 O +ANISOU 2246 OD1 ASN C 49 11545 14380 9003 -1930 1245 2109 O +ATOM 2247 ND2 ASN C 49 -0.685 40.150 50.758 1.00 90.30 N +ANISOU 2247 ND2 ASN C 49 11415 14465 8430 -1723 1196 1845 N +ATOM 2248 N TYR C 50 -0.367 40.549 45.537 1.00 72.79 N +ANISOU 2248 N TYR C 50 9578 10350 7729 -1227 1040 1117 N +ATOM 2249 CA TYR C 50 -0.739 39.903 44.285 1.00 73.12 C +ANISOU 2249 CA TYR C 50 9665 9982 8136 -1232 969 1162 C +ATOM 2250 C TYR C 50 0.240 38.777 43.972 1.00 80.03 C +ANISOU 2250 C TYR C 50 10679 10498 9231 -1216 727 1368 C +ATOM 2251 O TYR C 50 1.450 38.934 44.129 1.00 84.26 O +ANISOU 2251 O TYR C 50 11280 11004 9730 -1090 630 1295 O +ATOM 2252 CB TYR C 50 -0.765 40.928 43.147 1.00 68.52 C +ANISOU 2252 CB TYR C 50 9092 9222 7720 -1054 1041 778 C +ATOM 2253 CG TYR C 50 -1.533 40.496 41.916 1.00 67.53 C +ANISOU 2253 CG TYR C 50 8949 8820 7889 -1071 1029 774 C +ATOM 2254 CD1 TYR C 50 -0.968 39.629 40.989 1.00 65.27 C +ANISOU 2254 CD1 TYR C 50 8759 8152 7888 -1040 856 831 C +ATOM 2255 CD2 TYR C 50 -2.817 40.967 41.674 1.00 67.68 C +ANISOU 2255 CD2 TYR C 50 8838 8991 7886 -1095 1183 682 C +ATOM 2256 CE1 TYR C 50 -1.664 39.237 39.861 1.00 63.88 C +ANISOU 2256 CE1 TYR C 50 8562 7749 7960 -1059 835 795 C +ATOM 2257 CE2 TYR C 50 -3.520 40.581 40.549 1.00 66.78 C +ANISOU 2257 CE2 TYR C 50 8691 8659 8022 -1121 1163 676 C +ATOM 2258 CZ TYR C 50 -2.939 39.716 39.646 1.00 65.16 C +ANISOU 2258 CZ TYR C 50 8596 8072 8091 -1116 989 731 C +ATOM 2259 OH TYR C 50 -3.636 39.329 38.525 1.00 65.97 O +ANISOU 2259 OH TYR C 50 8662 7982 8423 -1147 959 695 O +ATOM 2260 N ASP C 51 -0.290 37.641 43.532 1.00 81.94 N +ANISOU 2260 N ASP C 51 10958 10472 9704 -1338 613 1610 N +ATOM 2261 CA ASP C 51 0.542 36.499 43.177 1.00 89.60 C +ANISOU 2261 CA ASP C 51 12076 11041 10927 -1282 347 1773 C +ATOM 2262 C ASP C 51 0.674 36.383 41.657 1.00 92.43 C +ANISOU 2262 C ASP C 51 12478 11018 11623 -1125 281 1510 C +ATOM 2263 O ASP C 51 -0.281 36.011 40.975 1.00 94.02 O +ANISOU 2263 O ASP C 51 12661 11058 12003 -1229 291 1524 O +ATOM 2264 CB ASP C 51 -0.041 35.212 43.770 1.00 95.25 C +ANISOU 2264 CB ASP C 51 12843 11657 11691 -1537 198 2237 C +ATOM 2265 CG ASP C 51 0.932 34.045 43.723 1.00 97.88 C +ANISOU 2265 CG ASP C 51 13356 11583 12251 -1445 -123 2436 C +ATOM 2266 OD1 ASP C 51 1.863 34.060 42.893 1.00 94.91 O +ANISOU 2266 OD1 ASP C 51 13041 10953 12069 -1170 -227 2166 O +ATOM 2267 OD2 ASP C 51 0.761 33.105 44.527 1.00103.21 O +ANISOU 2267 OD2 ASP C 51 14103 12210 12903 -1645 -284 2873 O +ATOM 2268 N LEU C 52 1.854 36.704 41.132 1.00 90.98 N +ANISOU 2268 N LEU C 52 12328 10745 11496 -890 212 1272 N +ATOM 2269 CA LEU C 52 2.088 36.646 39.690 1.00 94.30 C +ANISOU 2269 CA LEU C 52 12754 10900 12175 -731 155 1006 C +ATOM 2270 C LEU C 52 2.105 35.205 39.196 1.00102.63 C +ANISOU 2270 C LEU C 52 13917 11544 13533 -705 -95 1131 C +ATOM 2271 O LEU C 52 1.767 34.932 38.043 1.00105.07 O +ANISOU 2271 O LEU C 52 14224 11633 14065 -656 -134 957 O +ATOM 2272 CB LEU C 52 3.403 37.333 39.314 1.00 90.56 C +ANISOU 2272 CB LEU C 52 12250 10522 11638 -516 141 746 C +ATOM 2273 CG LEU C 52 3.475 38.860 39.372 1.00 87.10 C +ANISOU 2273 CG LEU C 52 11735 10372 10988 -526 342 532 C +ATOM 2274 CD1 LEU C 52 2.128 39.496 39.046 1.00 85.66 C +ANISOU 2274 CD1 LEU C 52 11505 10229 10812 -635 523 465 C +ATOM 2275 CD2 LEU C 52 3.979 39.313 40.727 1.00 89.22 C +ANISOU 2275 CD2 LEU C 52 12004 10924 10971 -573 374 625 C +ATOM 2276 N SER C 53 2.506 34.287 40.069 1.00109.96 N +ANISOU 2276 N SER C 53 14949 12361 14470 -735 -286 1430 N +ATOM 2277 CA SER C 53 2.498 32.867 39.739 1.00113.81 C +ANISOU 2277 CA SER C 53 15584 12386 15273 -717 -576 1580 C +ATOM 2278 C SER C 53 1.069 32.373 39.544 1.00115.25 C +ANISOU 2278 C SER C 53 15787 12413 15589 -1013 -559 1752 C +ATOM 2279 O SER C 53 0.807 31.527 38.690 1.00120.83 O +ANISOU 2279 O SER C 53 16583 12721 16605 -998 -741 1688 O +ATOM 2280 CB SER C 53 3.197 32.053 40.829 1.00118.00 C +ANISOU 2280 CB SER C 53 16233 12829 15772 -700 -807 1924 C +ATOM 2281 OG SER C 53 4.605 32.182 40.740 1.00118.67 O +ANISOU 2281 OG SER C 53 16301 12961 15828 -373 -908 1733 O +ATOM 2282 N GLY C 54 0.148 32.910 40.338 1.00112.14 N +ANISOU 2282 N GLY C 54 15291 12369 14947 -1280 -347 1947 N +ATOM 2283 CA GLY C 54 -1.250 32.541 40.234 1.00108.80 C +ANISOU 2283 CA GLY C 54 14827 11921 14591 -1592 -301 2124 C +ATOM 2284 C GLY C 54 -1.894 33.093 38.977 1.00 98.66 C +ANISOU 2284 C GLY C 54 13438 10628 13419 -1536 -161 1773 C +ATOM 2285 O GLY C 54 -1.355 33.997 38.337 1.00 92.43 O +ANISOU 2285 O GLY C 54 12588 9946 12586 -1290 -44 1424 O +ATOM 2286 N ARG C 55 -3.051 32.546 38.623 1.00 96.59 N +ANISOU 2286 N ARG C 55 13148 10258 13294 -1790 -187 1892 N +ATOM 2287 CA ARG C 55 -3.764 32.978 37.428 1.00 91.07 C +ANISOU 2287 CA ARG C 55 12336 9567 12698 -1759 -77 1594 C +ATOM 2288 C ARG C 55 -5.150 33.492 37.786 1.00 85.38 C +ANISOU 2288 C ARG C 55 11411 9247 11783 -2019 152 1715 C +ATOM 2289 O ARG C 55 -6.139 33.145 37.142 1.00 83.42 O +ANISOU 2289 O ARG C 55 11090 8938 11668 -2196 136 1714 O +ATOM 2290 CB ARG C 55 -3.867 31.829 36.424 1.00 96.59 C +ANISOU 2290 CB ARG C 55 13165 9766 13768 -1785 -346 1529 C +ATOM 2291 CG ARG C 55 -2.523 31.383 35.882 1.00 99.64 C +ANISOU 2291 CG ARG C 55 13708 9807 14343 -1448 -566 1305 C +ATOM 2292 CD ARG C 55 -1.771 32.557 35.279 1.00 99.37 C +ANISOU 2292 CD ARG C 55 13558 10039 14160 -1136 -383 932 C +ATOM 2293 NE ARG C 55 -0.650 32.125 34.451 1.00101.09 N +ANISOU 2293 NE ARG C 55 13852 10009 14550 -819 -575 648 N +ATOM 2294 CZ ARG C 55 0.626 32.283 34.788 1.00 99.49 C +ANISOU 2294 CZ ARG C 55 13674 9865 14261 -572 -626 586 C +ATOM 2295 NH1 ARG C 55 1.586 31.861 33.977 1.00 97.68 N +ANISOU 2295 NH1 ARG C 55 13467 9476 14171 -269 -799 300 N +ATOM 2296 NH2 ARG C 55 0.941 32.866 35.936 1.00 98.61 N +ANISOU 2296 NH2 ARG C 55 13543 10019 13904 -623 -506 790 N +ATOM 2297 N GLN C 56 -5.214 34.313 38.828 1.00 86.93 N +ANISOU 2297 N GLN C 56 11904 11668 9456 -1262 -383 1019 N +ATOM 2298 CA GLN C 56 -6.465 34.933 39.239 1.00 85.85 C +ANISOU 2298 CA GLN C 56 11824 11678 9118 -1338 -65 920 C +ATOM 2299 C GLN C 56 -6.944 35.908 38.165 1.00 80.93 C +ANISOU 2299 C GLN C 56 10954 11043 8751 -1318 66 646 C +ATOM 2300 O GLN C 56 -8.144 36.060 37.940 1.00 88.69 O +ANISOU 2300 O GLN C 56 11850 12067 9781 -1367 349 598 O +ATOM 2301 CB GLN C 56 -6.302 35.647 40.582 1.00 92.15 C +ANISOU 2301 CB GLN C 56 12883 12685 9444 -1331 -105 861 C +ATOM 2302 CG GLN C 56 -7.589 36.252 41.114 1.00 99.55 C +ANISOU 2302 CG GLN C 56 13893 13780 10150 -1385 266 752 C +ATOM 2303 CD GLN C 56 -8.606 35.188 41.500 1.00105.73 C +ANISOU 2303 CD GLN C 56 14747 14568 10859 -1489 555 1029 C +ATOM 2304 OE1 GLN C 56 -8.256 34.026 41.715 1.00110.46 O +ANISOU 2304 OE1 GLN C 56 15449 15064 11458 -1521 448 1329 O +ATOM 2305 NE2 GLN C 56 -9.871 35.581 41.586 1.00107.77 N +ANISOU 2305 NE2 GLN C 56 14935 14929 11085 -1540 931 939 N +ATOM 2306 N ALA C 57 -5.983 36.581 37.533 1.00 71.08 N +ANISOU 2306 N ALA C 57 9589 9745 7673 -1243 -145 486 N +ATOM 2307 CA ALA C 57 -6.232 37.548 36.462 1.00 63.49 C +ANISOU 2307 CA ALA C 57 8420 8752 6952 -1205 -62 265 C +ATOM 2308 C ALA C 57 -7.285 37.094 35.451 1.00 64.39 C +ANISOU 2308 C ALA C 57 8354 8806 7304 -1231 143 289 C +ATOM 2309 O ALA C 57 -8.218 37.836 35.144 1.00 65.87 O +ANISOU 2309 O ALA C 57 8446 9053 7529 -1222 334 159 O +ATOM 2310 CB ALA C 57 -4.931 37.865 35.741 1.00 57.74 C +ANISOU 2310 CB ALA C 57 7567 7929 6441 -1143 -310 192 C +ATOM 2311 N ILE C 58 -7.130 35.879 34.935 1.00 64.02 N +ANISOU 2311 N ILE C 58 8256 8635 7432 -1257 87 444 N +ATOM 2312 CA ILE C 58 -8.030 35.370 33.906 1.00 63.43 C +ANISOU 2312 CA ILE C 58 8010 8495 7597 -1298 225 437 C +ATOM 2313 C ILE C 58 -9.401 35.051 34.508 1.00 65.74 C +ANISOU 2313 C ILE C 58 8319 8867 7794 -1410 481 512 C +ATOM 2314 O ILE C 58 -10.415 35.058 33.810 1.00 64.11 O +ANISOU 2314 O ILE C 58 7929 8675 7753 -1451 623 446 O +ATOM 2315 CB ILE C 58 -7.443 34.116 33.207 1.00 50.17 C +ANISOU 2315 CB ILE C 58 6294 6628 6141 -1298 93 544 C +ATOM 2316 CG1 ILE C 58 -8.282 33.726 31.988 1.00 49.89 C +ANISOU 2316 CG1 ILE C 58 6079 6532 6346 -1341 189 464 C +ATOM 2317 CG2 ILE C 58 -7.324 32.955 34.179 1.00 55.80 C +ANISOU 2317 CG2 ILE C 58 7188 7258 6756 -1361 68 789 C +ATOM 2318 CD1 ILE C 58 -8.078 34.628 30.792 1.00 50.09 C +ANISOU 2318 CD1 ILE C 58 5951 6597 6485 -1244 148 274 C +ATOM 2319 N ARG C 59 -9.427 34.792 35.812 1.00 69.00 N +ANISOU 2319 N ARG C 59 8941 9347 7930 -1460 539 655 N +ATOM 2320 CA ARG C 59 -10.680 34.541 36.515 1.00 68.89 C +ANISOU 2320 CA ARG C 59 8950 9430 7794 -1572 833 745 C +ATOM 2321 C ARG C 59 -11.402 35.857 36.774 1.00 70.47 C +ANISOU 2321 C ARG C 59 9092 9813 7871 -1517 1025 538 C +ATOM 2322 O ARG C 59 -12.631 35.923 36.737 1.00 72.01 O +ANISOU 2322 O ARG C 59 9137 10087 8136 -1572 1288 516 O +ATOM 2323 CB ARG C 59 -10.432 33.806 37.833 1.00 68.94 C +ANISOU 2323 CB ARG C 59 9240 9457 7498 -1635 851 997 C +ATOM 2324 CG ARG C 59 -9.753 32.456 37.684 1.00 69.20 C +ANISOU 2324 CG ARG C 59 9349 9272 7671 -1668 671 1236 C +ATOM 2325 CD ARG C 59 -9.529 31.809 39.041 1.00 75.50 C +ANISOU 2325 CD ARG C 59 10455 10099 8134 -1709 679 1527 C +ATOM 2326 NE ARG C 59 -8.885 30.504 38.926 1.00 82.33 N +ANISOU 2326 NE ARG C 59 11401 10716 9163 -1714 504 1782 N +ATOM 2327 CZ ARG C 59 -9.541 29.348 38.909 1.00 87.94 C +ANISOU 2327 CZ ARG C 59 12127 11247 10039 -1856 664 2007 C +ATOM 2328 NH1 ARG C 59 -8.875 28.206 38.802 1.00 89.40 N +ANISOU 2328 NH1 ARG C 59 12404 11165 10398 -1833 489 2225 N +ATOM 2329 NH2 ARG C 59 -10.864 29.334 39.001 1.00 90.22 N +ANISOU 2329 NH2 ARG C 59 12321 11607 10352 -2020 1003 2012 N +ATOM 2330 N ASP C 60 -10.626 36.903 37.043 1.00 70.49 N +ANISOU 2330 N ASP C 60 9197 9866 7721 -1407 890 380 N +ATOM 2331 CA ASP C 60 -11.168 38.248 37.177 1.00 69.95 C +ANISOU 2331 CA ASP C 60 9084 9908 7586 -1324 1043 148 C +ATOM 2332 C ASP C 60 -11.717 38.711 35.834 1.00 63.75 C +ANISOU 2332 C ASP C 60 8007 9067 7149 -1264 1071 27 C +ATOM 2333 O ASP C 60 -12.762 39.359 35.763 1.00 64.78 O +ANISOU 2333 O ASP C 60 8000 9279 7336 -1218 1288 -81 O +ATOM 2334 CB ASP C 60 -10.096 39.218 37.677 1.00 72.55 C +ANISOU 2334 CB ASP C 60 9591 10248 7725 -1245 849 -8 C +ATOM 2335 CG ASP C 60 -9.744 38.996 39.135 1.00 81.03 C +ANISOU 2335 CG ASP C 60 10974 11441 8374 -1285 829 66 C +ATOM 2336 OD1 ASP C 60 -10.250 38.022 39.730 1.00 84.79 O +ANISOU 2336 OD1 ASP C 60 11543 11975 8700 -1371 972 285 O +ATOM 2337 OD2 ASP C 60 -8.957 39.796 39.685 1.00 84.32 O +ANISOU 2337 OD2 ASP C 60 11548 11891 8599 -1241 662 -92 O +ATOM 2338 N GLU C 61 -10.991 38.371 34.773 1.00 61.03 N +ANISOU 2338 N GLU C 61 7571 8591 7026 -1248 849 51 N +ATOM 2339 CA GLU C 61 -11.365 38.733 33.411 1.00 62.53 C +ANISOU 2339 CA GLU C 61 7525 8738 7497 -1185 830 -40 C +ATOM 2340 C GLU C 61 -12.723 38.157 33.026 1.00 65.37 C +ANISOU 2340 C GLU C 61 7679 9151 8009 -1255 1003 3 C +ATOM 2341 O GLU C 61 -13.621 38.888 32.608 1.00 65.93 O +ANISOU 2341 O GLU C 61 7568 9294 8188 -1183 1117 -100 O +ATOM 2342 CB GLU C 61 -10.300 38.253 32.424 1.00 66.95 C +ANISOU 2342 CB GLU C 61 8059 9165 8214 -1169 591 -6 C +ATOM 2343 CG GLU C 61 -9.102 39.177 32.295 1.00 75.79 C +ANISOU 2343 CG GLU C 61 9245 10235 9317 -1081 433 -97 C +ATOM 2344 CD GLU C 61 -7.954 38.533 31.544 1.00 83.25 C +ANISOU 2344 CD GLU C 61 10167 11068 10398 -1071 236 -39 C +ATOM 2345 OE1 GLU C 61 -8.179 38.041 30.418 1.00 88.06 O +ANISOU 2345 OE1 GLU C 61 10649 11633 11178 -1061 230 -32 O +ATOM 2346 OE2 GLU C 61 -6.826 38.517 32.081 1.00 83.45 O +ANISOU 2346 OE2 GLU C 61 10293 11059 10357 -1067 84 -14 O +ATOM 2347 N ILE C 62 -12.860 36.841 33.166 1.00 66.50 N +ANISOU 2347 N ILE C 62 7838 9241 8188 -1396 1010 160 N +ATOM 2348 CA ILE C 62 -14.074 36.145 32.754 1.00 66.54 C +ANISOU 2348 CA ILE C 62 7626 9269 8388 -1510 1143 199 C +ATOM 2349 C ILE C 62 -15.273 36.570 33.608 1.00 71.50 C +ANISOU 2349 C ILE C 62 8167 10061 8938 -1538 1449 191 C +ATOM 2350 O ILE C 62 -16.405 36.583 33.127 1.00 70.98 O +ANISOU 2350 O ILE C 62 7826 10068 9076 -1569 1565 146 O +ATOM 2351 CB ILE C 62 -13.887 34.605 32.807 1.00 67.71 C +ANISOU 2351 CB ILE C 62 7842 9267 8616 -1677 1092 374 C +ATOM 2352 CG1 ILE C 62 -15.048 33.891 32.107 1.00 72.79 C +ANISOU 2352 CG1 ILE C 62 8226 9895 9536 -1819 1167 366 C +ATOM 2353 CG2 ILE C 62 -13.703 34.113 34.238 1.00 68.44 C +ANISOU 2353 CG2 ILE C 62 8177 9367 8461 -1760 1216 569 C +ATOM 2354 CD1 ILE C 62 -14.815 32.411 31.898 1.00 76.09 C +ANISOU 2354 CD1 ILE C 62 8705 10099 10106 -1979 1084 491 C +ATOM 2355 N GLU C 63 -15.027 36.925 34.867 1.00 74.30 N +ANISOU 2355 N GLU C 63 8747 10490 8995 -1520 1578 223 N +ATOM 2356 CA GLU C 63 -16.093 37.418 35.734 1.00 71.79 C +ANISOU 2356 CA GLU C 63 8373 10343 8562 -1518 1913 188 C +ATOM 2357 C GLU C 63 -16.584 38.783 35.277 1.00 63.55 C +ANISOU 2357 C GLU C 63 7151 9371 7623 -1330 1967 -35 C +ATOM 2358 O GLU C 63 -17.784 39.004 35.112 1.00 62.96 O +ANISOU 2358 O GLU C 63 6803 9399 7720 -1313 2174 -82 O +ATOM 2359 CB GLU C 63 -15.619 37.527 37.185 1.00 77.43 C +ANISOU 2359 CB GLU C 63 9425 11132 8862 -1525 2021 247 C +ATOM 2360 CG GLU C 63 -15.765 36.273 38.022 1.00 83.98 C +ANISOU 2360 CG GLU C 63 10403 11963 9544 -1711 2153 518 C +ATOM 2361 CD GLU C 63 -15.295 36.489 39.449 1.00 90.98 C +ANISOU 2361 CD GLU C 63 11654 12964 9951 -1691 2237 572 C +ATOM 2362 OE1 GLU C 63 -16.142 36.456 40.368 1.00 95.32 O +ANISOU 2362 OE1 GLU C 63 12249 13671 10298 -1749 2591 633 O +ATOM 2363 OE2 GLU C 63 -14.081 36.705 39.651 1.00 89.92 O +ANISOU 2363 OE2 GLU C 63 11753 12778 9634 -1618 1949 546 O +ATOM 2364 N LEU C 64 -15.638 39.690 35.068 1.00 59.66 N +ANISOU 2364 N LEU C 64 6801 8808 7058 -1189 1776 -162 N +ATOM 2365 CA LEU C 64 -15.947 41.070 34.724 1.00 60.57 C +ANISOU 2365 CA LEU C 64 6814 8937 7264 -996 1818 -359 C +ATOM 2366 C LEU C 64 -16.559 41.174 33.331 1.00 59.09 C +ANISOU 2366 C LEU C 64 6308 8727 7415 -931 1724 -373 C +ATOM 2367 O LEU C 64 -17.428 42.011 33.086 1.00 57.28 O +ANISOU 2367 O LEU C 64 5881 8555 7328 -787 1847 -473 O +ATOM 2368 CB LEU C 64 -14.686 41.930 34.822 1.00 59.93 C +ANISOU 2368 CB LEU C 64 6973 8745 7054 -905 1621 -470 C +ATOM 2369 CG LEU C 64 -14.884 43.444 34.766 1.00 60.13 C +ANISOU 2369 CG LEU C 64 6982 8731 7134 -715 1692 -678 C +ATOM 2370 CD1 LEU C 64 -15.763 43.906 35.916 1.00 55.93 C +ANISOU 2370 CD1 LEU C 64 6493 8324 6432 -662 2022 -795 C +ATOM 2371 CD2 LEU C 64 -13.541 44.153 34.795 1.00 61.74 C +ANISOU 2371 CD2 LEU C 64 7407 8792 7261 -685 1470 -772 C +ATOM 2372 N ALA C 65 -16.098 40.321 32.421 1.00 57.07 N +ANISOU 2372 N ALA C 65 6013 8393 7278 -1020 1498 -279 N +ATOM 2373 CA ALA C 65 -16.628 40.297 31.063 1.00 55.38 C +ANISOU 2373 CA ALA C 65 5533 8182 7326 -973 1369 -295 C +ATOM 2374 C ALA C 65 -18.088 39.855 31.063 1.00 54.50 C +ANISOU 2374 C ALA C 65 5113 8204 7392 -1044 1542 -276 C +ATOM 2375 O ALA C 65 -18.913 40.412 30.341 1.00 52.82 O +ANISOU 2375 O ALA C 65 4633 8064 7372 -926 1525 -339 O +ATOM 2376 CB ALA C 65 -15.794 39.380 30.183 1.00 52.11 C +ANISOU 2376 CB ALA C 65 5181 7660 6960 -1063 1117 -229 C +ATOM 2377 N ILE C 66 -18.397 38.852 31.880 1.00 56.39 N +ANISOU 2377 N ILE C 66 5376 8471 7577 -1241 1703 -172 N +ATOM 2378 CA ILE C 66 -19.764 38.361 32.014 1.00 58.72 C +ANISOU 2378 CA ILE C 66 5358 8889 8063 -1356 1909 -139 C +ATOM 2379 C ILE C 66 -20.666 39.427 32.635 1.00 61.90 C +ANISOU 2379 C ILE C 66 5607 9442 8469 -1197 2195 -234 C +ATOM 2380 O ILE C 66 -21.794 39.637 32.185 1.00 63.47 O +ANISOU 2380 O ILE C 66 5433 9755 8929 -1151 2265 -280 O +ATOM 2381 CB ILE C 66 -19.815 37.069 32.859 1.00 57.94 C +ANISOU 2381 CB ILE C 66 5365 8757 7894 -1616 2062 32 C +ATOM 2382 CG1 ILE C 66 -19.293 35.883 32.046 1.00 57.77 C +ANISOU 2382 CG1 ILE C 66 5382 8567 8001 -1775 1798 104 C +ATOM 2383 CG2 ILE C 66 -21.229 36.780 33.322 1.00 60.61 C +ANISOU 2383 CG2 ILE C 66 5391 9240 8398 -1739 2381 73 C +ATOM 2384 CD1 ILE C 66 -19.233 34.587 32.825 1.00 58.79 C +ANISOU 2384 CD1 ILE C 66 5651 8594 8091 -2021 1922 302 C +ATOM 2385 N GLU C 67 -20.158 40.101 33.664 1.00 61.92 N +ANISOU 2385 N GLU C 67 5890 9446 8191 -1105 2348 -280 N +ATOM 2386 CA GLU C 67 -20.903 41.162 34.338 1.00 67.85 C +ANISOU 2386 CA GLU C 67 6553 10312 8915 -930 2645 -411 C +ATOM 2387 C GLU C 67 -21.292 42.269 33.364 1.00 67.29 C +ANISOU 2387 C GLU C 67 6249 10223 9094 -678 2525 -540 C +ATOM 2388 O GLU C 67 -22.408 42.788 33.409 1.00 73.81 O +ANISOU 2388 O GLU C 67 6771 11162 10110 -549 2730 -610 O +ATOM 2389 CB GLU C 67 -20.085 41.749 35.490 1.00 71.48 C +ANISOU 2389 CB GLU C 67 7419 10746 8996 -869 2750 -487 C +ATOM 2390 CG GLU C 67 -20.775 42.899 36.208 1.00 80.78 C +ANISOU 2390 CG GLU C 67 8557 12013 10123 -667 3067 -674 C +ATOM 2391 CD GLU C 67 -19.949 43.463 37.348 1.00 87.61 C +ANISOU 2391 CD GLU C 67 9852 12854 10582 -624 3140 -793 C +ATOM 2392 OE1 GLU C 67 -20.282 44.563 37.836 1.00 94.14 O +ANISOU 2392 OE1 GLU C 67 10714 13696 11359 -430 3343 -1005 O +ATOM 2393 OE2 GLU C 67 -18.972 42.803 37.761 1.00 88.39 O +ANISOU 2393 OE2 GLU C 67 10251 12915 10417 -777 2982 -686 O +ATOM 2394 N LEU C 68 -20.364 42.620 32.481 1.00 59.86 N +ANISOU 2394 N LEU C 68 5446 9138 8160 -600 2201 -554 N +ATOM 2395 CA LEU C 68 -20.607 43.648 31.479 1.00 61.39 C +ANISOU 2395 CA LEU C 68 5474 9287 8563 -361 2056 -625 C +ATOM 2396 C LEU C 68 -21.522 43.125 30.376 1.00 61.31 C +ANISOU 2396 C LEU C 68 5076 9380 8839 -385 1912 -561 C +ATOM 2397 O LEU C 68 -22.372 43.855 29.866 1.00 61.36 O +ANISOU 2397 O LEU C 68 4801 9448 9066 -184 1911 -602 O +ATOM 2398 CB LEU C 68 -19.286 44.143 30.885 1.00 55.66 C +ANISOU 2398 CB LEU C 68 5029 8380 7740 -298 1785 -629 C +ATOM 2399 CG LEU C 68 -19.388 45.228 29.811 1.00 57.88 C +ANISOU 2399 CG LEU C 68 5205 8582 8206 -56 1630 -652 C +ATOM 2400 CD1 LEU C 68 -20.070 46.470 30.363 1.00 55.58 C +ANISOU 2400 CD1 LEU C 68 4846 8267 8006 183 1857 -777 C +ATOM 2401 CD2 LEU C 68 -18.012 45.568 29.264 1.00 59.28 C +ANISOU 2401 CD2 LEU C 68 5661 8581 8283 -51 1405 -625 C +ATOM 2402 N ALA C 69 -21.342 41.858 30.014 1.00 59.55 N +ANISOU 2402 N ALA C 69 4840 9167 8621 -625 1771 -468 N +ATOM 2403 CA ALA C 69 -22.134 41.242 28.955 1.00 60.21 C +ANISOU 2403 CA ALA C 69 4582 9341 8955 -692 1589 -442 C +ATOM 2404 C ALA C 69 -23.609 41.166 29.333 1.00 66.97 C +ANISOU 2404 C ALA C 69 5017 10377 10053 -710 1822 -459 C +ATOM 2405 O ALA C 69 -24.484 41.259 28.472 1.00 62.32 O +ANISOU 2405 O ALA C 69 4061 9898 9720 -642 1675 -481 O +ATOM 2406 CB ALA C 69 -21.602 39.857 28.635 1.00 55.38 C +ANISOU 2406 CB ALA C 69 4081 8659 8303 -962 1426 -374 C +ATOM 2407 N ARG C 70 -23.880 40.996 30.623 1.00 70.21 N +ANISOU 2407 N ARG C 70 5470 10832 10373 -801 2185 -445 N +ATOM 2408 CA ARG C 70 -25.252 40.939 31.114 1.00 73.34 C +ANISOU 2408 CA ARG C 70 5458 11410 10999 -825 2488 -457 C +ATOM 2409 C ARG C 70 -25.944 42.301 31.037 1.00 76.83 C +ANISOU 2409 C ARG C 70 5670 11928 11594 -481 2590 -569 C +ATOM 2410 O ARG C 70 -27.164 42.391 31.182 1.00 72.41 O +ANISOU 2410 O ARG C 70 4674 11532 11305 -437 2791 -594 O +ATOM 2411 CB ARG C 70 -25.294 40.385 32.543 1.00 73.41 C +ANISOU 2411 CB ARG C 70 5625 11454 10813 -1013 2889 -390 C +ATOM 2412 CG ARG C 70 -25.069 38.879 32.594 1.00 70.57 C +ANISOU 2412 CG ARG C 70 5339 11031 10442 -1371 2836 -239 C +ATOM 2413 CD ARG C 70 -25.627 38.247 33.860 1.00 78.12 C +ANISOU 2413 CD ARG C 70 6277 12076 11328 -1577 3280 -124 C +ATOM 2414 NE ARG C 70 -25.625 36.789 33.764 1.00 81.13 N +ANISOU 2414 NE ARG C 70 6649 12364 11811 -1926 3225 38 N +ATOM 2415 CZ ARG C 70 -24.783 35.988 34.408 1.00 78.23 C +ANISOU 2415 CZ ARG C 70 6683 11858 11181 -2098 3252 195 C +ATOM 2416 NH1 ARG C 70 -23.868 36.496 35.222 1.00 76.54 N +ANISOU 2416 NH1 ARG C 70 6901 11620 10561 -1965 3315 203 N +ATOM 2417 NH2 ARG C 70 -24.865 34.675 34.245 1.00 77.06 N +ANISOU 2417 NH2 ARG C 70 6501 11586 11193 -2403 3202 341 N +ATOM 2418 N GLU C 71 -25.167 43.358 30.815 1.00 73.06 N +ANISOU 2418 N GLU C 71 5469 11312 10978 -236 2461 -633 N +ATOM 2419 CA GLU C 71 -25.727 44.702 30.734 1.00 77.44 C +ANISOU 2419 CA GLU C 71 5859 11872 11693 116 2548 -733 C +ATOM 2420 C GLU C 71 -25.922 45.162 29.290 1.00 76.38 C +ANISOU 2420 C GLU C 71 5520 11723 11779 306 2164 -694 C +ATOM 2421 O GLU C 71 -26.895 45.852 28.979 1.00 75.45 O +ANISOU 2421 O GLU C 71 5040 11687 11939 552 2187 -722 O +ATOM 2422 CB GLU C 71 -24.828 45.708 31.459 1.00 82.89 C +ANISOU 2422 CB GLU C 71 6983 12385 12125 277 2673 -838 C +ATOM 2423 CG GLU C 71 -24.809 45.588 32.968 1.00 93.89 C +ANISOU 2423 CG GLU C 71 8573 13828 13272 184 3081 -916 C +ATOM 2424 CD GLU C 71 -23.986 46.687 33.620 1.00101.66 C +ANISOU 2424 CD GLU C 71 9965 14639 14022 356 3160 -1073 C +ATOM 2425 OE1 GLU C 71 -22.817 46.427 33.978 1.00100.41 O +ANISOU 2425 OE1 GLU C 71 10214 14379 13560 206 3046 -1061 O +ATOM 2426 OE2 GLU C 71 -24.508 47.813 33.773 1.00106.50 O +ANISOU 2426 OE2 GLU C 71 10481 15205 14780 645 3326 -1218 O +ATOM 2427 N VAL C 72 -25.001 44.779 28.411 1.00 72.88 N +ANISOU 2427 N VAL C 72 5307 11183 11201 208 1816 -622 N +ATOM 2428 CA VAL C 72 -24.984 45.314 27.052 1.00 64.15 C +ANISOU 2428 CA VAL C 72 4120 10053 10200 404 1457 -569 C +ATOM 2429 C VAL C 72 -25.327 44.289 25.968 1.00 64.21 C +ANISOU 2429 C VAL C 72 3901 10197 10297 230 1132 -513 C +ATOM 2430 O VAL C 72 -25.490 44.653 24.801 1.00 64.65 O +ANISOU 2430 O VAL C 72 3851 10292 10421 391 819 -465 O +ATOM 2431 CB VAL C 72 -23.607 45.927 26.722 1.00 79.40 C +ANISOU 2431 CB VAL C 72 6511 11760 11896 482 1310 -539 C +ATOM 2432 CG1 VAL C 72 -23.236 46.986 27.751 1.00 61.11 C +ANISOU 2432 CG1 VAL C 72 4431 9283 9505 639 1587 -632 C +ATOM 2433 CG2 VAL C 72 -22.543 44.843 26.647 1.00 57.49 C +ANISOU 2433 CG2 VAL C 72 4022 8934 8888 189 1190 -504 C +ATOM 2434 N SER C 73 -25.450 43.023 26.361 1.00 69.91 N +ANISOU 2434 N SER C 73 4565 10983 11014 -96 1206 -521 N +ATOM 2435 CA SER C 73 -25.829 41.941 25.446 1.00 71.80 C +ANISOU 2435 CA SER C 73 4589 11328 11365 -307 920 -515 C +ATOM 2436 C SER C 73 -25.024 41.930 24.144 1.00 70.53 C +ANISOU 2436 C SER C 73 4654 11106 11038 -255 522 -492 C +ATOM 2437 O SER C 73 -25.563 42.229 23.079 1.00 74.90 O +ANISOU 2437 O SER C 73 4988 11780 11691 -110 233 -487 O +ATOM 2438 CB SER C 73 -27.323 42.029 25.117 1.00 76.00 C +ANISOU 2438 CB SER C 73 4542 12080 12253 -238 874 -542 C +ATOM 2439 OG SER C 73 -28.110 41.499 26.168 1.00 81.58 O +ANISOU 2439 OG SER C 73 4985 12873 13139 -424 1230 -561 O +ATOM 2440 N PRO C 74 -23.731 41.578 24.226 1.00 66.93 N +ANISOU 2440 N PRO C 74 4631 10479 10319 -364 509 -475 N +ATOM 2441 CA PRO C 74 -22.884 41.556 23.030 1.00 64.73 C +ANISOU 2441 CA PRO C 74 4585 10147 9863 -315 196 -456 C +ATOM 2442 C PRO C 74 -23.115 40.319 22.171 1.00 63.83 C +ANISOU 2442 C PRO C 74 4361 10111 9781 -538 -65 -522 C +ATOM 2443 O PRO C 74 -23.814 39.396 22.588 1.00 61.85 O +ANISOU 2443 O PRO C 74 3882 9911 9709 -774 5 -573 O +ATOM 2444 CB PRO C 74 -21.473 41.543 23.614 1.00 56.89 C +ANISOU 2444 CB PRO C 74 4030 8951 8634 -372 328 -429 C +ATOM 2445 CG PRO C 74 -21.632 40.775 24.882 1.00 56.10 C +ANISOU 2445 CG PRO C 74 3921 8825 8568 -595 593 -444 C +ATOM 2446 CD PRO C 74 -22.992 41.148 25.426 1.00 62.03 C +ANISOU 2446 CD PRO C 74 4295 9726 9549 -533 781 -464 C +ATOM 2447 N ASP C 75 -22.524 40.307 20.981 1.00 62.94 N +ANISOU 2447 N ASP C 75 4422 9999 9495 -472 -348 -528 N +ATOM 2448 CA ASP C 75 -22.609 39.152 20.099 1.00 65.74 C +ANISOU 2448 CA ASP C 75 4742 10406 9832 -672 -609 -636 C +ATOM 2449 C ASP C 75 -21.691 38.036 20.592 1.00 63.55 C +ANISOU 2449 C ASP C 75 4735 9935 9477 -924 -490 -678 C +ATOM 2450 O ASP C 75 -21.967 36.854 20.385 1.00 56.90 O +ANISOU 2450 O ASP C 75 3814 9074 8733 -1169 -588 -785 O +ATOM 2451 CB ASP C 75 -22.252 39.542 18.663 1.00 68.35 C +ANISOU 2451 CB ASP C 75 5207 10819 9943 -494 -924 -634 C +ATOM 2452 CG ASP C 75 -23.277 40.471 18.039 1.00 74.03 C +ANISOU 2452 CG ASP C 75 5633 11743 10751 -248 -1119 -576 C +ATOM 2453 OD1 ASP C 75 -24.477 40.125 18.043 1.00 77.70 O +ANISOU 2453 OD1 ASP C 75 5693 12369 11462 -327 -1225 -647 O +ATOM 2454 OD2 ASP C 75 -22.883 41.548 17.544 1.00 74.78 O +ANISOU 2454 OD2 ASP C 75 5890 11831 10693 25 -1168 -445 O +ATOM 2455 N VAL C 76 -20.603 38.423 21.253 1.00 55.88 N +ANISOU 2455 N VAL C 76 4074 8803 8353 -861 -293 -596 N +ATOM 2456 CA VAL C 76 -19.579 37.471 21.668 1.00 55.12 C +ANISOU 2456 CA VAL C 76 4255 8519 8170 -1040 -213 -607 C +ATOM 2457 C VAL C 76 -18.652 38.085 22.722 1.00 51.39 C +ANISOU 2457 C VAL C 76 4025 7917 7582 -963 22 -505 C +ATOM 2458 O VAL C 76 -18.483 39.304 22.780 1.00 49.53 O +ANISOU 2458 O VAL C 76 3833 7703 7283 -754 72 -452 O +ATOM 2459 CB VAL C 76 -18.746 36.989 20.450 1.00 50.66 C +ANISOU 2459 CB VAL C 76 3898 7911 7439 -1032 -440 -686 C +ATOM 2460 CG1 VAL C 76 -17.881 38.119 19.907 1.00 49.88 C +ANISOU 2460 CG1 VAL C 76 4003 7818 7132 -781 -462 -606 C +ATOM 2461 CG2 VAL C 76 -17.898 35.771 20.803 1.00 48.81 C +ANISOU 2461 CG2 VAL C 76 3875 7473 7198 -1225 -382 -724 C +ATOM 2462 N ILE C 77 -18.066 37.236 23.562 1.00 51.88 N +ANISOU 2462 N ILE C 77 4250 7835 7626 -1136 147 -478 N +ATOM 2463 CA ILE C 77 -17.080 37.674 24.542 1.00 55.66 C +ANISOU 2463 CA ILE C 77 4977 8203 7969 -1084 309 -398 C +ATOM 2464 C ILE C 77 -15.676 37.206 24.165 1.00 51.21 C +ANISOU 2464 C ILE C 77 4681 7491 7285 -1092 209 -395 C +ATOM 2465 O ILE C 77 -15.456 36.020 23.920 1.00 50.85 O +ANISOU 2465 O ILE C 77 4682 7354 7286 -1235 137 -427 O +ATOM 2466 CB ILE C 77 -17.417 37.158 25.956 1.00 58.54 C +ANISOU 2466 CB ILE C 77 5342 8536 8366 -1243 539 -332 C +ATOM 2467 CG1 ILE C 77 -18.661 37.858 26.500 1.00 59.47 C +ANISOU 2467 CG1 ILE C 77 5205 8807 8584 -1191 717 -336 C +ATOM 2468 CG2 ILE C 77 -16.242 37.370 26.901 1.00 61.64 C +ANISOU 2468 CG2 ILE C 77 6032 8815 8575 -1215 630 -263 C +ATOM 2469 CD1 ILE C 77 -19.119 37.317 27.835 1.00 64.43 C +ANISOU 2469 CD1 ILE C 77 5820 9439 9220 -1358 986 -263 C +ATOM 2470 N HIS C 78 -14.731 38.140 24.121 1.00 52.39 N +ANISOU 2470 N HIS C 78 4991 7603 7313 -937 214 -364 N +ATOM 2471 CA HIS C 78 -13.337 37.805 23.849 1.00 53.73 C +ANISOU 2471 CA HIS C 78 5371 7646 7397 -930 151 -354 C +ATOM 2472 C HIS C 78 -12.515 37.756 25.132 1.00 53.04 C +ANISOU 2472 C HIS C 78 5445 7454 7254 -976 254 -284 C +ATOM 2473 O HIS C 78 -12.391 38.754 25.842 1.00 49.96 O +ANISOU 2473 O HIS C 78 5098 7079 6804 -904 342 -263 O +ATOM 2474 CB HIS C 78 -12.717 38.811 22.877 1.00 39.34 C +ANISOU 2474 CB HIS C 78 3607 5846 5494 -755 86 -350 C +ATOM 2475 CG HIS C 78 -13.115 38.600 21.450 1.00 43.43 C +ANISOU 2475 CG HIS C 78 4055 6459 5986 -708 -62 -409 C +ATOM 2476 ND1 HIS C 78 -12.626 39.372 20.420 1.00 45.46 N +ANISOU 2476 ND1 HIS C 78 4381 6755 6135 -557 -115 -378 N +ATOM 2477 CD2 HIS C 78 -13.952 37.699 20.882 1.00 49.57 C +ANISOU 2477 CD2 HIS C 78 4712 7307 6814 -801 -177 -500 C +ATOM 2478 CE1 HIS C 78 -13.145 38.958 19.277 1.00 47.31 C +ANISOU 2478 CE1 HIS C 78 4562 7103 6309 -541 -264 -446 C +ATOM 2479 NE2 HIS C 78 -13.952 37.944 19.531 1.00 51.26 N +ANISOU 2479 NE2 HIS C 78 4939 7623 6915 -693 -320 -541 N +ATOM 2480 N LEU C 79 -11.956 36.587 25.425 1.00 53.42 N +ANISOU 2480 N LEU C 79 5590 7388 7321 -1088 225 -256 N +ATOM 2481 CA LEU C 79 -11.079 36.429 26.577 1.00 58.31 C +ANISOU 2481 CA LEU C 79 6371 7917 7867 -1118 266 -170 C +ATOM 2482 C LEU C 79 -9.627 36.500 26.118 1.00 59.73 C +ANISOU 2482 C LEU C 79 6655 8008 8031 -1032 165 -174 C +ATOM 2483 O LEU C 79 -9.290 36.018 25.037 1.00 60.92 O +ANISOU 2483 O LEU C 79 6788 8119 8240 -1002 91 -230 O +ATOM 2484 CB LEU C 79 -11.359 35.108 27.295 1.00 60.46 C +ANISOU 2484 CB LEU C 79 6686 8100 8186 -1278 302 -88 C +ATOM 2485 CG LEU C 79 -11.505 35.196 28.815 1.00 66.98 C +ANISOU 2485 CG LEU C 79 7612 8952 8887 -1339 430 26 C +ATOM 2486 CD1 LEU C 79 -12.567 36.220 29.184 1.00 67.39 C +ANISOU 2486 CD1 LEU C 79 7548 9167 8890 -1309 584 -22 C +ATOM 2487 CD2 LEU C 79 -11.838 33.835 29.407 1.00 72.04 C +ANISOU 2487 CD2 LEU C 79 8303 9485 9583 -1506 481 152 C +ATOM 2488 N ASN C 80 -8.768 37.097 26.938 1.00 62.47 N +ANISOU 2488 N ASN C 80 7100 8332 8302 -995 165 -131 N +ATOM 2489 CA ASN C 80 -7.377 37.298 26.547 1.00 60.02 C +ANISOU 2489 CA ASN C 80 6833 7954 8018 -920 81 -134 C +ATOM 2490 C ASN C 80 -6.513 36.066 26.796 1.00 58.75 C +ANISOU 2490 C ASN C 80 6734 7672 7917 -947 -2 -74 C +ATOM 2491 O ASN C 80 -5.762 36.001 27.770 1.00 53.76 O +ANISOU 2491 O ASN C 80 6179 7003 7245 -954 -63 -2 O +ATOM 2492 CB ASN C 80 -6.783 38.503 27.277 1.00 60.00 C +ANISOU 2492 CB ASN C 80 6880 7968 7949 -885 83 -137 C +ATOM 2493 CG ASN C 80 -5.404 38.873 26.762 1.00 60.24 C +ANISOU 2493 CG ASN C 80 6893 7939 8057 -827 14 -143 C +ATOM 2494 OD1 ASN C 80 -5.026 38.507 25.649 1.00 59.36 O +ANISOU 2494 OD1 ASN C 80 6726 7805 8024 -779 12 -155 O +ATOM 2495 ND2 ASN C 80 -4.646 39.601 27.571 1.00 63.46 N +ANISOU 2495 ND2 ASN C 80 7343 8328 8442 -839 -37 -150 N +ATOM 2496 N SER C 81 -6.633 35.090 25.903 1.00 62.95 N +ANISOU 2496 N SER C 81 7237 8137 8546 -952 -20 -115 N +ATOM 2497 CA SER C 81 -5.785 33.906 25.926 1.00 65.37 C +ANISOU 2497 CA SER C 81 7594 8286 8958 -940 -89 -78 C +ATOM 2498 C SER C 81 -5.724 33.308 24.527 1.00 64.60 C +ANISOU 2498 C SER C 81 7457 8137 8950 -893 -88 -207 C +ATOM 2499 O SER C 81 -6.736 32.862 23.992 1.00 61.77 O +ANISOU 2499 O SER C 81 7077 7788 8606 -965 -76 -285 O +ATOM 2500 CB SER C 81 -6.311 32.879 26.929 1.00 66.63 C +ANISOU 2500 CB SER C 81 7838 8346 9133 -1052 -91 37 C +ATOM 2501 OG SER C 81 -5.474 31.736 26.972 1.00 71.31 O +ANISOU 2501 OG SER C 81 8492 8747 9856 -1014 -167 93 O +ATOM 2502 N THR C 82 -4.533 33.292 23.939 1.00 64.69 N +ANISOU 2502 N THR C 82 7452 8106 9022 -776 -100 -242 N +ATOM 2503 CA THR C 82 -4.381 32.863 22.553 1.00 61.44 C +ANISOU 2503 CA THR C 82 7027 7678 8640 -708 -67 -389 C +ATOM 2504 C THR C 82 -4.418 31.342 22.437 1.00 61.89 C +ANISOU 2504 C THR C 82 7147 7533 8837 -731 -102 -451 C +ATOM 2505 O THR C 82 -3.386 30.675 22.517 1.00 58.83 O +ANISOU 2505 O THR C 82 6772 6997 8583 -637 -113 -438 O +ATOM 2506 CB THR C 82 -3.070 33.392 21.939 1.00 53.87 C +ANISOU 2506 CB THR C 82 6014 6752 7704 -572 -12 -405 C +ATOM 2507 OG1 THR C 82 -2.968 34.803 22.170 1.00 51.68 O +ANISOU 2507 OG1 THR C 82 5688 6604 7343 -574 17 -332 O +ATOM 2508 CG2 THR C 82 -3.034 33.124 20.441 1.00 50.96 C +ANISOU 2508 CG2 THR C 82 5660 6420 7283 -495 63 -564 C +ATOM 2509 N LEU C 83 -5.619 30.802 22.255 1.00 62.05 N +ANISOU 2509 N LEU C 83 7188 7531 8857 -856 -121 -520 N +ATOM 2510 CA LEU C 83 -5.800 29.364 22.097 1.00 60.78 C +ANISOU 2510 CA LEU C 83 7096 7139 8859 -914 -153 -601 C +ATOM 2511 C LEU C 83 -6.422 29.036 20.743 1.00 64.08 C +ANISOU 2511 C LEU C 83 7517 7592 9240 -938 -171 -848 C +ATOM 2512 O LEU C 83 -6.916 27.929 20.527 1.00 72.46 O +ANISOU 2512 O LEU C 83 8627 8470 10434 -1038 -212 -965 O +ATOM 2513 CB LEU C 83 -6.667 28.805 23.226 1.00 59.50 C +ANISOU 2513 CB LEU C 83 6962 6871 8776 -1090 -167 -457 C +ATOM 2514 CG LEU C 83 -6.243 29.156 24.653 1.00 56.27 C +ANISOU 2514 CG LEU C 83 6587 6469 8323 -1084 -163 -210 C +ATOM 2515 CD1 LEU C 83 -7.151 28.473 25.665 1.00 51.38 C +ANISOU 2515 CD1 LEU C 83 6023 5744 7754 -1265 -134 -59 C +ATOM 2516 CD2 LEU C 83 -4.790 28.777 24.892 1.00 57.34 C +ANISOU 2516 CD2 LEU C 83 6769 6466 8553 -923 -215 -138 C +ATOM 2517 N GLY C 84 -6.396 30.007 19.835 1.00 60.90 N +ANISOU 2517 N GLY C 84 7074 7418 8649 -850 -150 -926 N +ATOM 2518 CA GLY C 84 -6.905 29.813 18.491 1.00 64.90 C +ANISOU 2518 CA GLY C 84 7606 8011 9043 -847 -191 -1157 C +ATOM 2519 C GLY C 84 -8.392 30.086 18.353 1.00 70.60 C +ANISOU 2519 C GLY C 84 8243 8880 9703 -991 -292 -1195 C +ATOM 2520 O GLY C 84 -9.019 29.668 17.380 1.00 78.20 O +ANISOU 2520 O GLY C 84 9219 9890 10605 -1037 -389 -1405 O +ATOM 2521 N GLY C 85 -8.956 30.788 19.330 1.00 68.33 N +ANISOU 2521 N GLY C 85 7858 8675 9431 -1057 -275 -1009 N +ATOM 2522 CA GLY C 85 -10.351 31.187 19.277 1.00 67.54 C +ANISOU 2522 CA GLY C 85 7622 8737 9304 -1164 -346 -1023 C +ATOM 2523 C GLY C 85 -11.321 30.086 19.659 1.00 70.55 C +ANISOU 2523 C GLY C 85 7940 8979 9885 -1384 -398 -1084 C +ATOM 2524 O GLY C 85 -12.464 30.070 19.201 1.00 72.53 O +ANISOU 2524 O GLY C 85 8057 9349 10153 -1489 -501 -1189 O +ATOM 2525 N ILE C 86 -10.868 29.163 20.500 1.00 70.31 N +ANISOU 2525 N ILE C 86 7997 8692 10026 -1460 -335 -1003 N +ATOM 2526 CA ILE C 86 -11.715 28.067 20.955 1.00 70.80 C +ANISOU 2526 CA ILE C 86 8019 8568 10314 -1692 -349 -1017 C +ATOM 2527 C ILE C 86 -12.640 28.530 22.083 1.00 67.06 C +ANISOU 2527 C ILE C 86 7405 8199 9877 -1819 -254 -819 C +ATOM 2528 O ILE C 86 -12.237 29.307 22.950 1.00 58.33 O +ANISOU 2528 O ILE C 86 6327 7174 8660 -1727 -154 -631 O +ATOM 2529 CB ILE C 86 -10.865 26.856 21.421 1.00 71.33 C +ANISOU 2529 CB ILE C 86 8259 8283 10562 -1708 -310 -971 C +ATOM 2530 CG1 ILE C 86 -11.758 25.659 21.758 1.00 73.90 C +ANISOU 2530 CG1 ILE C 86 8561 8364 11152 -1972 -318 -987 C +ATOM 2531 CG2 ILE C 86 -9.978 27.226 22.605 1.00 67.07 C +ANISOU 2531 CG2 ILE C 86 7797 7711 9975 -1602 -212 -699 C +ATOM 2532 CD1 ILE C 86 -11.035 24.331 21.716 1.00 74.85 C +ANISOU 2532 CD1 ILE C 86 8865 8090 11486 -1975 -326 -1038 C +ATOM 2533 N GLU C 87 -13.889 28.072 22.051 1.00 68.48 N +ANISOU 2533 N GLU C 87 7422 8384 10215 -2034 -282 -881 N +ATOM 2534 CA GLU C 87 -14.856 28.413 23.090 1.00 65.57 C +ANISOU 2534 CA GLU C 87 6890 8117 9907 -2165 -148 -707 C +ATOM 2535 C GLU C 87 -14.467 27.760 24.412 1.00 60.07 C +ANISOU 2535 C GLU C 87 6340 7200 9283 -2254 13 -467 C +ATOM 2536 O GLU C 87 -14.172 26.565 24.460 1.00 62.77 O +ANISOU 2536 O GLU C 87 6807 7246 9798 -2362 -4 -462 O +ATOM 2537 CB GLU C 87 -16.272 27.994 22.686 1.00 75.61 C +ANISOU 2537 CB GLU C 87 7905 9444 11381 -2392 -213 -836 C +ATOM 2538 CG GLU C 87 -16.754 28.576 21.364 1.00 81.95 C +ANISOU 2538 CG GLU C 87 8559 10485 12095 -2306 -424 -1065 C +ATOM 2539 CD GLU C 87 -16.409 27.704 20.173 1.00 92.38 C +ANISOU 2539 CD GLU C 87 9999 11667 13436 -2335 -622 -1332 C +ATOM 2540 OE1 GLU C 87 -15.393 26.980 20.233 1.00 94.74 O +ANISOU 2540 OE1 GLU C 87 10540 11705 13750 -2299 -583 -1341 O +ATOM 2541 OE2 GLU C 87 -17.159 27.740 19.175 1.00 98.01 O +ANISOU 2541 OE2 GLU C 87 10561 12536 14144 -2381 -825 -1545 O +ATOM 2542 N VAL C 88 -14.460 28.556 25.476 1.00 52.62 N +ANISOU 2542 N VAL C 88 5403 6396 8195 -2196 162 -269 N +ATOM 2543 CA VAL C 88 -14.096 28.085 26.810 1.00 53.35 C +ANISOU 2543 CA VAL C 88 5661 6340 8270 -2256 306 -13 C +ATOM 2544 C VAL C 88 -14.965 26.916 27.276 1.00 61.05 C +ANISOU 2544 C VAL C 88 6589 7119 9487 -2541 412 86 C +ATOM 2545 O VAL C 88 -14.474 25.982 27.910 1.00 69.15 O +ANISOU 2545 O VAL C 88 7810 7880 10583 -2606 453 263 O +ATOM 2546 CB VAL C 88 -14.190 29.233 27.842 1.00 55.52 C +ANISOU 2546 CB VAL C 88 5933 6849 8313 -2168 455 131 C +ATOM 2547 CG1 VAL C 88 -13.945 28.720 29.253 1.00 52.00 C +ANISOU 2547 CG1 VAL C 88 5675 6291 7791 -2246 601 402 C +ATOM 2548 CG2 VAL C 88 -13.195 30.333 27.500 1.00 56.58 C +ANISOU 2548 CG2 VAL C 88 6141 7110 8248 -1914 357 59 C +ATOM 2549 N ARG C 89 -16.252 26.959 26.943 1.00 64.42 N +ANISOU 2549 N ARG C 89 6745 7665 10065 -2713 448 -15 N +ATOM 2550 CA ARG C 89 -17.186 25.912 27.354 1.00 68.50 C +ANISOU 2550 CA ARG C 89 7161 8006 10858 -3025 571 74 C +ATOM 2551 C ARG C 89 -16.877 24.557 26.712 1.00 75.06 C +ANISOU 2551 C ARG C 89 8108 8463 11950 -3158 430 -31 C +ATOM 2552 O ARG C 89 -17.386 23.526 27.149 1.00 81.46 O +ANISOU 2552 O ARG C 89 8915 9020 13015 -3422 535 85 O +ATOM 2553 CB ARG C 89 -18.625 26.317 27.025 1.00 67.17 C +ANISOU 2553 CB ARG C 89 6610 8074 10838 -3173 611 -47 C +ATOM 2554 CG ARG C 89 -19.024 26.095 25.576 1.00 68.93 C +ANISOU 2554 CG ARG C 89 6655 8310 11227 -3219 341 -368 C +ATOM 2555 CD ARG C 89 -20.436 26.592 25.317 1.00 75.06 C +ANISOU 2555 CD ARG C 89 7012 9358 12149 -3335 347 -464 C +ATOM 2556 NE ARG C 89 -20.758 26.619 23.894 1.00 77.37 N +ANISOU 2556 NE ARG C 89 7148 9744 12506 -3319 33 -775 N +ATOM 2557 CZ ARG C 89 -21.346 25.620 23.245 1.00 79.09 C +ANISOU 2557 CZ ARG C 89 7234 9806 13010 -3582 -124 -965 C +ATOM 2558 NH1 ARG C 89 -21.680 24.512 23.893 1.00 78.65 N +ANISOU 2558 NH1 ARG C 89 7175 9460 13248 -3892 28 -856 N +ATOM 2559 NH2 ARG C 89 -21.604 25.727 21.949 1.00 78.58 N +ANISOU 2559 NH2 ARG C 89 7055 9869 12932 -3544 -438 -1261 N +ATOM 2560 N LYS C 90 -16.043 24.566 25.677 1.00 74.32 N +ANISOU 2560 N LYS C 90 8123 8319 11798 -2976 216 -252 N +ATOM 2561 CA LYS C 90 -15.679 23.345 24.965 1.00 75.56 C +ANISOU 2561 CA LYS C 90 8407 8118 12185 -3056 83 -415 C +ATOM 2562 C LYS C 90 -14.300 22.833 25.375 1.00 79.66 C +ANISOU 2562 C LYS C 90 9241 8365 12663 -2877 88 -268 C +ATOM 2563 O LYS C 90 -13.706 22.004 24.685 1.00 80.44 O +ANISOU 2563 O LYS C 90 9476 8182 12907 -2835 -26 -434 O +ATOM 2564 CB LYS C 90 -15.723 23.579 23.454 1.00 69.05 C +ANISOU 2564 CB LYS C 90 7496 7419 11322 -2973 -147 -793 C +ATOM 2565 CG LYS C 90 -17.120 23.824 22.909 1.00 73.25 C +ANISOU 2565 CG LYS C 90 7702 8168 11962 -3169 -227 -967 C +ATOM 2566 CD LYS C 90 -17.109 23.983 21.397 1.00 76.72 C +ANISOU 2566 CD LYS C 90 8107 8735 12310 -3077 -491 -1332 C +ATOM 2567 CE LYS C 90 -18.522 24.109 20.847 1.00 82.60 C +ANISOU 2567 CE LYS C 90 8508 9687 13191 -3282 -630 -1509 C +ATOM 2568 NZ LYS C 90 -18.529 24.443 19.396 1.00 83.64 N +ANISOU 2568 NZ LYS C 90 8621 10019 13138 -3156 -912 -1836 N +ATOM 2569 N LEU C 91 -13.798 23.329 26.501 1.00 80.13 N +ANISOU 2569 N LEU C 91 9408 8514 12525 -2761 210 30 N +ATOM 2570 CA LEU C 91 -12.450 22.996 26.951 1.00 79.52 C +ANISOU 2570 CA LEU C 91 9589 8239 12387 -2558 177 189 C +ATOM 2571 C LEU C 91 -12.384 21.752 27.832 1.00 87.38 C +ANISOU 2571 C LEU C 91 10767 8844 13591 -2697 260 465 C +ATOM 2572 O LEU C 91 -12.657 21.807 29.031 1.00 87.29 O +ANISOU 2572 O LEU C 91 10815 8874 13477 -2781 411 783 O +ATOM 2573 CB LEU C 91 -11.834 24.176 27.707 1.00 72.07 C +ANISOU 2573 CB LEU C 91 8685 7592 11108 -2353 213 354 C +ATOM 2574 CG LEU C 91 -11.240 25.298 26.857 1.00 68.21 C +ANISOU 2574 CG LEU C 91 8120 7367 10428 -2121 105 138 C +ATOM 2575 CD1 LEU C 91 -10.568 26.336 27.742 1.00 63.98 C +ANISOU 2575 CD1 LEU C 91 7647 7046 9618 -1955 134 309 C +ATOM 2576 CD2 LEU C 91 -10.255 24.732 25.847 1.00 68.93 C +ANISOU 2576 CD2 LEU C 91 8297 7261 10634 -1968 -30 -52 C +ATOM 2577 N ASP C 92 -12.022 20.630 27.219 1.00 93.70 N +ANISOU 2577 N ASP C 92 11673 9254 14673 -2714 170 343 N +ATOM 2578 CA ASP C 92 -11.681 19.426 27.962 1.00 98.41 C +ANISOU 2578 CA ASP C 92 12490 9411 15490 -2772 218 618 C +ATOM 2579 C ASP C 92 -10.221 19.087 27.677 1.00 95.48 C +ANISOU 2579 C ASP C 92 12295 8834 15148 -2455 79 587 C +ATOM 2580 O ASP C 92 -9.620 19.666 26.772 1.00 96.20 O +ANISOU 2580 O ASP C 92 12318 9103 15131 -2248 -25 310 O +ATOM 2581 CB ASP C 92 -12.611 18.265 27.590 1.00108.23 C +ANISOU 2581 CB ASP C 92 13702 10285 17134 -3095 257 518 C +ATOM 2582 CG ASP C 92 -12.760 18.084 26.087 1.00112.38 C +ANISOU 2582 CG ASP C 92 14122 10766 17810 -3108 99 29 C +ATOM 2583 OD1 ASP C 92 -11.762 18.241 25.352 1.00112.41 O +ANISOU 2583 OD1 ASP C 92 14205 10780 17726 -2827 -25 -178 O +ATOM 2584 OD2 ASP C 92 -13.885 17.781 25.637 1.00119.10 O +ANISOU 2584 OD2 ASP C 92 14805 11587 18862 -3406 100 -154 O +ATOM 2585 N GLU C 93 -9.653 18.163 28.447 1.00 94.38 N +ANISOU 2585 N GLU C 93 12371 8327 15161 -2406 87 888 N +ATOM 2586 CA GLU C 93 -8.242 17.800 28.303 1.00 92.36 C +ANISOU 2586 CA GLU C 93 12253 7866 14975 -2078 -43 901 C +ATOM 2587 C GLU C 93 -7.846 17.368 26.891 1.00 93.37 C +ANISOU 2587 C GLU C 93 12349 7807 15322 -1965 -127 465 C +ATOM 2588 O GLU C 93 -6.735 17.650 26.444 1.00 91.77 O +ANISOU 2588 O GLU C 93 12139 7670 15061 -1662 -209 344 O +ATOM 2589 CB GLU C 93 -7.874 16.695 29.295 1.00 91.76 C +ANISOU 2589 CB GLU C 93 12415 7353 15095 -2064 -31 1306 C +ATOM 2590 CG GLU C 93 -7.942 17.126 30.750 1.00 89.96 C +ANISOU 2590 CG GLU C 93 12282 7334 14564 -2089 28 1764 C +ATOM 2591 CD GLU C 93 -7.194 16.185 31.672 1.00 95.95 C +ANISOU 2591 CD GLU C 93 13300 7717 15439 -1952 -32 2186 C +ATOM 2592 OE1 GLU C 93 -7.177 16.437 32.895 1.00 99.54 O +ANISOU 2592 OE1 GLU C 93 13880 8328 15611 -1956 -4 2584 O +ATOM 2593 OE2 GLU C 93 -6.618 15.196 31.173 1.00 99.02 O +ANISOU 2593 OE2 GLU C 93 13777 7655 16190 -1823 -111 2119 O +ATOM 2594 N SER C 94 -8.752 16.686 26.195 1.00 96.08 N +ANISOU 2594 N SER C 94 12666 7926 15913 -2217 -101 218 N +ATOM 2595 CA SER C 94 -8.480 16.209 24.841 1.00 97.11 C +ANISOU 2595 CA SER C 94 12802 7873 16221 -2136 -178 -237 C +ATOM 2596 C SER C 94 -8.190 17.349 23.868 1.00 92.76 C +ANISOU 2596 C SER C 94 12100 7790 15354 -1964 -232 -550 C +ATOM 2597 O SER C 94 -7.247 17.275 23.079 1.00 90.86 O +ANISOU 2597 O SER C 94 11900 7503 15118 -1703 -270 -782 O +ATOM 2598 CB SER C 94 -9.653 15.378 24.320 1.00103.20 C +ANISOU 2598 CB SER C 94 13557 8370 17284 -2491 -170 -467 C +ATOM 2599 OG SER C 94 -9.412 14.939 22.993 1.00106.09 O +ANISOU 2599 OG SER C 94 13957 8582 17771 -2414 -258 -951 O +ATOM 2600 N THR C 95 -8.998 18.402 23.930 1.00 89.51 N +ANISOU 2600 N THR C 95 11514 7819 14677 -2100 -215 -543 N +ATOM 2601 CA THR C 95 -8.849 19.518 23.005 1.00 83.65 C +ANISOU 2601 CA THR C 95 10640 7507 13638 -1960 -263 -801 C +ATOM 2602 C THR C 95 -7.755 20.467 23.479 1.00 79.97 C +ANISOU 2602 C THR C 95 10163 7295 12928 -1677 -248 -604 C +ATOM 2603 O THR C 95 -7.098 21.118 22.668 1.00 78.51 O +ANISOU 2603 O THR C 95 9929 7324 12579 -1474 -269 -796 O +ATOM 2604 CB THR C 95 -10.167 20.297 22.839 1.00 83.28 C +ANISOU 2604 CB THR C 95 10394 7811 13438 -2192 -267 -872 C +ATOM 2605 OG1 THR C 95 -10.674 20.664 24.128 1.00 86.62 O +ANISOU 2605 OG1 THR C 95 10766 8342 13803 -2319 -164 -507 O +ATOM 2606 CG2 THR C 95 -11.201 19.444 22.118 1.00 85.96 C +ANISOU 2606 CG2 THR C 95 10692 7950 14020 -2470 -331 -1153 C +ATOM 2607 N ILE C 96 -7.565 20.543 24.793 1.00 77.72 N +ANISOU 2607 N ILE C 96 9926 6990 12613 -1677 -211 -221 N +ATOM 2608 CA ILE C 96 -6.483 21.337 25.365 1.00 75.67 C +ANISOU 2608 CA ILE C 96 9662 6933 12158 -1431 -236 -33 C +ATOM 2609 C ILE C 96 -5.147 20.758 24.918 1.00 80.21 C +ANISOU 2609 C ILE C 96 10300 7274 12902 -1151 -288 -115 C +ATOM 2610 O ILE C 96 -4.254 21.488 24.485 1.00 80.21 O +ANISOU 2610 O ILE C 96 10213 7488 12777 -935 -304 -209 O +ATOM 2611 CB ILE C 96 -6.549 21.385 26.902 1.00 76.24 C +ANISOU 2611 CB ILE C 96 9814 7009 12144 -1491 -214 384 C +ATOM 2612 CG1 ILE C 96 -7.750 22.216 27.354 1.00 74.41 C +ANISOU 2612 CG1 ILE C 96 9483 7090 11698 -1713 -120 445 C +ATOM 2613 CG2 ILE C 96 -5.271 21.977 27.476 1.00 74.45 C +ANISOU 2613 CG2 ILE C 96 9597 6922 11769 -1228 -299 550 C +ATOM 2614 CD1 ILE C 96 -7.938 22.243 28.851 1.00 75.26 C +ANISOU 2614 CD1 ILE C 96 9698 7227 11672 -1791 -57 831 C +ATOM 2615 N ASP C 97 -5.019 19.438 25.024 1.00 82.99 N +ANISOU 2615 N ASP C 97 10794 7170 13570 -1155 -297 -75 N +ATOM 2616 CA ASP C 97 -3.803 18.747 24.611 1.00 84.90 C +ANISOU 2616 CA ASP C 97 11090 7132 14036 -869 -329 -162 C +ATOM 2617 C ASP C 97 -3.631 18.851 23.100 1.00 86.75 C +ANISOU 2617 C ASP C 97 11265 7438 14259 -778 -288 -620 C +ATOM 2618 O ASP C 97 -2.529 18.690 22.575 1.00 86.73 O +ANISOU 2618 O ASP C 97 11242 7363 14347 -499 -269 -750 O +ATOM 2619 CB ASP C 97 -3.845 17.275 25.030 1.00 87.03 C +ANISOU 2619 CB ASP C 97 11546 6842 14679 -904 -339 -26 C +ATOM 2620 CG ASP C 97 -3.577 17.077 26.509 1.00 88.02 C +ANISOU 2620 CG ASP C 97 11769 6870 14806 -878 -393 475 C +ATOM 2621 OD1 ASP C 97 -2.923 17.948 27.120 1.00 90.78 O +ANISOU 2621 OD1 ASP C 97 12039 7538 14916 -730 -459 665 O +ATOM 2622 OD2 ASP C 97 -4.021 16.048 27.060 1.00 86.62 O +ANISOU 2622 OD2 ASP C 97 11757 6290 14863 -1015 -374 681 O +ATOM 2623 N ALA C 98 -4.733 19.128 22.409 1.00 88.59 N +ANISOU 2623 N ALA C 98 11461 7832 14366 -1007 -271 -858 N +ATOM 2624 CA ALA C 98 -4.726 19.251 20.959 1.00 87.41 C +ANISOU 2624 CA ALA C 98 11290 7793 14128 -948 -250 -1292 C +ATOM 2625 C ALA C 98 -4.479 20.689 20.523 1.00 82.66 C +ANISOU 2625 C ALA C 98 10543 7699 13165 -847 -225 -1329 C +ATOM 2626 O ALA C 98 -4.438 20.983 19.328 1.00 80.19 O +ANISOU 2626 O ALA C 98 10219 7554 12697 -781 -197 -1641 O +ATOM 2627 CB ALA C 98 -6.033 18.747 20.382 1.00 88.44 C +ANISOU 2627 CB ALA C 98 11456 7828 14320 -1245 -294 -1543 C +ATOM 2628 N LEU C 99 -4.306 21.584 21.490 1.00 82.56 N +ANISOU 2628 N LEU C 99 10441 7918 13009 -834 -233 -1012 N +ATOM 2629 CA LEU C 99 -3.990 22.968 21.170 1.00 81.75 C +ANISOU 2629 CA LEU C 99 10209 8239 12612 -738 -203 -1018 C +ATOM 2630 C LEU C 99 -2.501 23.050 20.888 1.00 88.59 C +ANISOU 2630 C LEU C 99 11033 9093 13534 -444 -149 -1039 C +ATOM 2631 O LEU C 99 -1.707 22.341 21.507 1.00 93.08 O +ANISOU 2631 O LEU C 99 11630 9400 14335 -311 -174 -895 O +ATOM 2632 CB LEU C 99 -4.376 23.910 22.314 1.00 76.03 C +ANISOU 2632 CB LEU C 99 9414 7746 11729 -843 -230 -715 C +ATOM 2633 CG LEU C 99 -5.863 24.071 22.640 1.00 75.79 C +ANISOU 2633 CG LEU C 99 9362 7807 11626 -1117 -240 -676 C +ATOM 2634 CD1 LEU C 99 -6.050 24.933 23.881 1.00 75.40 C +ANISOU 2634 CD1 LEU C 99 9270 7956 11424 -1170 -229 -381 C +ATOM 2635 CD2 LEU C 99 -6.621 24.656 21.458 1.00 74.09 C +ANISOU 2635 CD2 LEU C 99 9068 7836 11245 -1179 -247 -947 C +ATOM 2636 N GLN C 100 -2.117 23.912 19.956 1.00 90.05 N +ANISOU 2636 N GLN C 100 11138 9559 13518 -337 -71 -1198 N +ATOM 2637 CA GLN C 100 -0.707 24.074 19.638 1.00 93.07 C +ANISOU 2637 CA GLN C 100 11432 9964 13965 -74 21 -1219 C +ATOM 2638 C GLN C 100 -0.090 25.132 20.542 1.00 88.12 C +ANISOU 2638 C GLN C 100 10659 9550 13274 -36 -15 -936 C +ATOM 2639 O GLN C 100 0.419 26.154 20.083 1.00 87.92 O +ANISOU 2639 O GLN C 100 10516 9785 13103 33 68 -956 O +ATOM 2640 CB GLN C 100 -0.527 24.421 18.160 1.00100.22 C +ANISOU 2640 CB GLN C 100 12339 11055 14685 18 161 -1519 C +ATOM 2641 CG GLN C 100 -0.613 23.193 17.259 1.00110.31 C +ANISOU 2641 CG GLN C 100 13765 12066 16081 74 209 -1849 C +ATOM 2642 CD GLN C 100 -0.540 23.524 15.783 1.00114.55 C +ANISOU 2642 CD GLN C 100 14350 12822 16351 155 345 -2161 C +ATOM 2643 OE1 GLN C 100 -0.933 24.610 15.358 1.00115.54 O +ANISOU 2643 OE1 GLN C 100 14440 13292 16167 88 356 -2132 O +ATOM 2644 NE2 GLN C 100 -0.040 22.583 14.991 1.00116.98 N +ANISOU 2644 NE2 GLN C 100 14759 12923 16766 312 456 -2458 N +ATOM 2645 N ILE C 101 -0.156 24.860 21.842 1.00 84.09 N +ANISOU 2645 N ILE C 101 10170 8913 12866 -94 -140 -672 N +ATOM 2646 CA ILE C 101 0.438 25.708 22.862 1.00 77.67 C +ANISOU 2646 CA ILE C 101 9248 8265 11997 -66 -221 -417 C +ATOM 2647 C ILE C 101 1.491 24.916 23.633 1.00 75.21 C +ANISOU 2647 C ILE C 101 8908 7721 11947 111 -324 -244 C +ATOM 2648 O ILE C 101 1.580 23.696 23.491 1.00 79.49 O +ANISOU 2648 O ILE C 101 9541 7941 12719 193 -323 -286 O +ATOM 2649 CB ILE C 101 -0.627 26.241 23.835 1.00 78.21 C +ANISOU 2649 CB ILE C 101 9385 8457 11873 -288 -296 -240 C +ATOM 2650 CG1 ILE C 101 -1.422 25.079 24.434 1.00 82.50 C +ANISOU 2650 CG1 ILE C 101 10090 8723 12533 -413 -343 -142 C +ATOM 2651 CG2 ILE C 101 -1.560 27.205 23.121 1.00 74.71 C +ANISOU 2651 CG2 ILE C 101 8919 8272 11194 -419 -216 -385 C +ATOM 2652 CD1 ILE C 101 -2.365 25.488 25.545 1.00 80.19 C +ANISOU 2652 CD1 ILE C 101 9858 8542 12067 -613 -378 69 C +ATOM 2653 N SER C 102 2.289 25.609 24.439 1.00 69.10 N +ANISOU 2653 N SER C 102 8005 7097 11151 176 -429 -54 N +ATOM 2654 CA SER C 102 3.332 24.959 25.230 1.00 68.68 C +ANISOU 2654 CA SER C 102 7892 6869 11333 362 -580 138 C +ATOM 2655 C SER C 102 2.748 23.971 26.237 1.00 73.36 C +ANISOU 2655 C SER C 102 8699 7204 11971 295 -706 367 C +ATOM 2656 O SER C 102 1.559 24.024 26.552 1.00 75.13 O +ANISOU 2656 O SER C 102 9083 7451 12013 69 -679 411 O +ATOM 2657 CB SER C 102 4.183 26.002 25.956 1.00 63.42 C +ANISOU 2657 CB SER C 102 7043 6456 10598 397 -715 282 C +ATOM 2658 OG SER C 102 3.458 26.600 27.016 1.00 53.39 O +ANISOU 2658 OG SER C 102 5896 5330 9060 205 -830 451 O +ATOM 2659 N ASP C 103 3.590 23.071 26.738 1.00 76.19 N +ANISOU 2659 N ASP C 103 9047 7314 12587 499 -833 531 N +ATOM 2660 CA ASP C 103 3.162 22.092 27.732 1.00 78.47 C +ANISOU 2660 CA ASP C 103 9556 7327 12933 459 -954 809 C +ATOM 2661 C ASP C 103 2.771 22.763 29.043 1.00 78.03 C +ANISOU 2661 C ASP C 103 9589 7497 12560 302 -1097 1086 C +ATOM 2662 O ASP C 103 1.936 22.250 29.784 1.00 82.05 O +ANISOU 2662 O ASP C 103 10322 7878 12977 153 -1108 1291 O +ATOM 2663 CB ASP C 103 4.260 21.055 27.984 1.00 84.94 C +ANISOU 2663 CB ASP C 103 10334 7833 14108 760 -1083 953 C +ATOM 2664 CG ASP C 103 4.431 20.092 26.825 1.00 88.93 C +ANISOU 2664 CG ASP C 103 10839 8008 14944 907 -915 685 C +ATOM 2665 OD1 ASP C 103 3.444 19.853 26.099 1.00 92.38 O +ANISOU 2665 OD1 ASP C 103 11412 8355 15332 725 -749 463 O +ATOM 2666 OD2 ASP C 103 5.550 19.567 26.646 1.00 88.26 O +ANISOU 2666 OD2 ASP C 103 10610 7753 15173 1212 -956 681 O +ATOM 2667 N ARG C 104 3.367 23.918 29.322 1.00 77.02 N +ANISOU 2667 N ARG C 104 9294 7703 12266 324 -1189 1080 N +ATOM 2668 CA ARG C 104 3.044 24.660 30.533 1.00 79.54 C +ANISOU 2668 CA ARG C 104 9708 8262 12251 184 -1322 1281 C +ATOM 2669 C ARG C 104 1.674 25.311 30.388 1.00 74.73 C +ANISOU 2669 C ARG C 104 9208 7814 11372 -87 -1135 1169 C +ATOM 2670 O ARG C 104 0.892 25.354 31.338 1.00 73.88 O +ANISOU 2670 O ARG C 104 9284 7762 11026 -241 -1145 1350 O +ATOM 2671 CB ARG C 104 4.109 25.722 30.814 1.00 85.29 C +ANISOU 2671 CB ARG C 104 10213 9272 12921 272 -1488 1257 C +ATOM 2672 CG ARG C 104 3.815 26.617 32.009 1.00 89.65 C +ANISOU 2672 CG ARG C 104 10872 10090 13100 125 -1630 1391 C +ATOM 2673 CD ARG C 104 4.208 25.955 33.321 1.00 98.48 C +ANISOU 2673 CD ARG C 104 12142 11138 14138 216 -1902 1728 C +ATOM 2674 NE ARG C 104 3.833 26.767 34.476 1.00103.32 N +ANISOU 2674 NE ARG C 104 12909 12017 14329 68 -2015 1830 N +ATOM 2675 CZ ARG C 104 2.780 26.524 35.251 1.00105.91 C +ANISOU 2675 CZ ARG C 104 13530 12345 14365 -85 -1933 2001 C +ATOM 2676 NH1 ARG C 104 2.002 25.481 35.004 1.00106.73 N +ANISOU 2676 NH1 ARG C 104 13785 12178 14588 -134 -1754 2107 N +ATOM 2677 NH2 ARG C 104 2.513 27.318 36.279 1.00106.84 N +ANISOU 2677 NH2 ARG C 104 13789 12727 14078 -197 -2016 2055 N +ATOM 2678 N GLY C 105 1.393 25.814 29.190 1.00 70.54 N +ANISOU 2678 N GLY C 105 8558 7370 10875 -130 -958 880 N +ATOM 2679 CA GLY C 105 0.089 26.363 28.868 1.00 67.16 C +ANISOU 2679 CA GLY C 105 8192 7076 10248 -350 -792 756 C +ATOM 2680 C GLY C 105 -1.026 25.352 29.044 1.00 66.06 C +ANISOU 2680 C GLY C 105 8236 6715 10149 -500 -710 836 C +ATOM 2681 O GLY C 105 -2.091 25.671 29.574 1.00 64.83 O +ANISOU 2681 O GLY C 105 8166 6672 9794 -695 -637 904 O +ATOM 2682 N LYS C 106 -0.778 24.127 28.590 1.00 65.81 N +ANISOU 2682 N LYS C 106 8250 6350 10403 -412 -706 819 N +ATOM 2683 CA LYS C 106 -1.750 23.046 28.705 1.00 70.52 C +ANISOU 2683 CA LYS C 106 9015 6664 11117 -569 -632 891 C +ATOM 2684 C LYS C 106 -2.035 22.694 30.163 1.00 75.99 C +ANISOU 2684 C LYS C 106 9887 7296 11689 -654 -694 1269 C +ATOM 2685 O LYS C 106 -3.192 22.527 30.551 1.00 76.88 O +ANISOU 2685 O LYS C 106 10102 7396 11713 -888 -577 1357 O +ATOM 2686 CB LYS C 106 -1.261 21.808 27.950 1.00 70.50 C +ANISOU 2686 CB LYS C 106 9041 6269 11478 -428 -628 780 C +ATOM 2687 CG LYS C 106 -1.106 22.023 26.452 1.00 66.72 C +ANISOU 2687 CG LYS C 106 8433 5844 11075 -359 -529 386 C +ATOM 2688 CD LYS C 106 -0.631 20.761 25.751 1.00 68.28 C +ANISOU 2688 CD LYS C 106 8686 5636 11623 -207 -506 241 C +ATOM 2689 CE LYS C 106 -0.478 20.991 24.255 1.00 67.52 C +ANISOU 2689 CE LYS C 106 8494 5630 11532 -133 -389 -167 C +ATOM 2690 NZ LYS C 106 0.078 19.798 23.557 1.00 71.68 N +ANISOU 2690 NZ LYS C 106 9081 5765 12388 49 -345 -356 N +ATOM 2691 N GLU C 107 -0.977 22.574 30.960 1.00 78.44 N +ANISOU 2691 N GLU C 107 10229 7583 11993 -463 -877 1500 N +ATOM 2692 CA GLU C 107 -1.111 22.268 32.382 1.00 81.95 C +ANISOU 2692 CA GLU C 107 10876 8002 12258 -509 -965 1889 C +ATOM 2693 C GLU C 107 -1.963 23.311 33.099 1.00 75.17 C +ANISOU 2693 C GLU C 107 10064 7502 10996 -712 -881 1926 C +ATOM 2694 O GLU C 107 -2.868 22.968 33.860 1.00 73.46 O +ANISOU 2694 O GLU C 107 10024 7247 10639 -892 -771 2140 O +ATOM 2695 CB GLU C 107 0.264 22.159 33.046 1.00 90.06 C +ANISOU 2695 CB GLU C 107 11889 9021 13309 -241 -1235 2095 C +ATOM 2696 CG GLU C 107 1.110 21.004 32.531 1.00101.09 C +ANISOU 2696 CG GLU C 107 13252 10023 15133 -2 -1314 2116 C +ATOM 2697 CD GLU C 107 2.533 21.039 33.054 1.00108.76 C +ANISOU 2697 CD GLU C 107 14116 11039 16167 291 -1600 2278 C +ATOM 2698 OE1 GLU C 107 2.888 22.013 33.751 1.00111.55 O +ANISOU 2698 OE1 GLU C 107 14415 11745 16224 286 -1753 2337 O +ATOM 2699 OE2 GLU C 107 3.296 20.093 32.768 1.00111.61 O +ANISOU 2699 OE2 GLU C 107 14438 11077 16893 531 -1680 2331 O +ATOM 2700 N ILE C 108 -1.661 24.584 32.859 1.00 71.00 N +ANISOU 2700 N ILE C 108 9375 7305 10295 -679 -911 1720 N +ATOM 2701 CA ILE C 108 -2.394 25.678 33.484 1.00 69.50 C +ANISOU 2701 CA ILE C 108 9218 7443 9744 -834 -828 1706 C +ATOM 2702 C ILE C 108 -3.869 25.655 33.098 1.00 70.63 C +ANISOU 2702 C ILE C 108 9363 7591 9883 -1066 -569 1606 C +ATOM 2703 O ILE C 108 -4.745 25.815 33.948 1.00 72.73 O +ANISOU 2703 O ILE C 108 9746 7970 9919 -1223 -444 1748 O +ATOM 2704 CB ILE C 108 -1.796 27.048 33.103 1.00 68.08 C +ANISOU 2704 CB ILE C 108 8854 7551 9464 -758 -895 1466 C +ATOM 2705 CG1 ILE C 108 -0.391 27.190 33.685 1.00 64.22 C +ANISOU 2705 CG1 ILE C 108 8331 7109 8960 -568 -1172 1575 C +ATOM 2706 CG2 ILE C 108 -2.678 28.183 33.601 1.00 63.43 C +ANISOU 2706 CG2 ILE C 108 8299 7251 8552 -911 -772 1399 C +ATOM 2707 CD1 ILE C 108 0.291 28.483 33.326 1.00 56.44 C +ANISOU 2707 CD1 ILE C 108 7146 6362 7936 -519 -1241 1351 C +ATOM 2708 N TRP C 109 -4.140 25.438 31.816 1.00 70.82 N +ANISOU 2708 N TRP C 109 9248 7504 10158 -1083 -488 1356 N +ATOM 2709 CA TRP C 109 -5.507 25.513 31.317 1.00 69.96 C +ANISOU 2709 CA TRP C 109 9080 7435 10068 -1295 -291 1218 C +ATOM 2710 C TRP C 109 -6.335 24.282 31.667 1.00 73.82 C +ANISOU 2710 C TRP C 109 9694 7646 10710 -1476 -184 1400 C +ATOM 2711 O TRP C 109 -7.562 24.357 31.733 1.00 77.46 O +ANISOU 2711 O TRP C 109 10113 8178 11142 -1692 -12 1383 O +ATOM 2712 CB TRP C 109 -5.509 25.731 29.805 1.00 68.86 C +ANISOU 2712 CB TRP C 109 8765 7302 10098 -1252 -277 881 C +ATOM 2713 CG TRP C 109 -5.651 27.170 29.444 1.00 71.14 C +ANISOU 2713 CG TRP C 109 8915 7924 10190 -1230 -247 704 C +ATOM 2714 CD1 TRP C 109 -4.698 27.983 28.906 1.00 71.40 C +ANISOU 2714 CD1 TRP C 109 8849 8087 10193 -1064 -324 572 C +ATOM 2715 CD2 TRP C 109 -6.818 27.980 29.622 1.00 73.22 C +ANISOU 2715 CD2 TRP C 109 9117 8414 10289 -1374 -117 659 C +ATOM 2716 NE1 TRP C 109 -5.203 29.249 28.726 1.00 70.93 N +ANISOU 2716 NE1 TRP C 109 8699 8292 9960 -1101 -258 457 N +ATOM 2717 CE2 TRP C 109 -6.503 29.272 29.159 1.00 74.26 C +ANISOU 2717 CE2 TRP C 109 9138 8779 10299 -1273 -137 501 C +ATOM 2718 CE3 TRP C 109 -8.100 27.736 30.123 1.00 71.52 C +ANISOU 2718 CE3 TRP C 109 8911 8217 10045 -1575 32 743 C +ATOM 2719 CZ2 TRP C 109 -7.425 30.317 29.182 1.00 74.78 C +ANISOU 2719 CZ2 TRP C 109 9120 9074 10220 -1339 -31 421 C +ATOM 2720 CZ3 TRP C 109 -9.012 28.773 30.145 1.00 70.20 C +ANISOU 2720 CZ3 TRP C 109 8626 8310 9735 -1639 147 651 C +ATOM 2721 CH2 TRP C 109 -8.671 30.048 29.678 1.00 70.89 C +ANISOU 2721 CH2 TRP C 109 8622 8607 9707 -1508 106 490 C +ATOM 2722 N LYS C 110 -5.673 23.153 31.890 1.00 72.59 N +ANISOU 2722 N LYS C 110 9673 7158 10749 -1390 -279 1581 N +ATOM 2723 CA LYS C 110 -6.374 21.962 32.353 1.00 74.76 C +ANISOU 2723 CA LYS C 110 10101 7119 11186 -1568 -174 1812 C +ATOM 2724 C LYS C 110 -6.893 22.174 33.772 1.00 79.61 C +ANISOU 2724 C LYS C 110 10871 7891 11486 -1692 -73 2149 C +ATOM 2725 O LYS C 110 -7.909 21.601 34.165 1.00 85.44 O +ANISOU 2725 O LYS C 110 11676 8510 12277 -1929 118 2309 O +ATOM 2726 CB LYS C 110 -5.472 20.730 32.277 1.00 70.95 C +ANISOU 2726 CB LYS C 110 9746 6208 11005 -1409 -306 1945 C +ATOM 2727 CG LYS C 110 -5.430 20.112 30.886 1.00 66.38 C +ANISOU 2727 CG LYS C 110 9067 5363 10791 -1386 -304 1610 C +ATOM 2728 CD LYS C 110 -4.727 18.765 30.869 1.00 74.69 C +ANISOU 2728 CD LYS C 110 10267 5919 12193 -1247 -388 1742 C +ATOM 2729 CE LYS C 110 -3.230 18.915 30.670 1.00 72.75 C +ANISOU 2729 CE LYS C 110 9962 5685 11993 -887 -572 1703 C +ATOM 2730 NZ LYS C 110 -2.638 17.694 30.056 1.00 72.66 N +ANISOU 2730 NZ LYS C 110 10009 5190 12409 -724 -611 1628 N +ATOM 2731 N GLU C 111 -6.186 22.999 34.537 1.00 77.64 N +ANISOU 2731 N GLU C 111 10678 7914 10909 -1540 -192 2246 N +ATOM 2732 CA GLU C 111 -6.586 23.303 35.904 1.00 81.27 C +ANISOU 2732 CA GLU C 111 11318 8573 10989 -1627 -104 2531 C +ATOM 2733 C GLU C 111 -7.635 24.415 35.898 1.00 78.65 C +ANISOU 2733 C GLU C 111 10853 8589 10443 -1779 108 2334 C +ATOM 2734 O GLU C 111 -8.548 24.429 36.724 1.00 80.91 O +ANISOU 2734 O GLU C 111 11231 8980 10531 -1951 329 2508 O +ATOM 2735 CB GLU C 111 -5.374 23.705 36.749 1.00 85.75 C +ANISOU 2735 CB GLU C 111 12014 9288 11279 -1402 -361 2686 C +ATOM 2736 CG GLU C 111 -5.697 23.996 38.207 1.00 95.23 C +ANISOU 2736 CG GLU C 111 13455 10714 12015 -1471 -297 2973 C +ATOM 2737 CD GLU C 111 -6.215 22.771 38.944 1.00107.00 C +ANISOU 2737 CD GLU C 111 15193 11941 13523 -1600 -161 3390 C +ATOM 2738 OE1 GLU C 111 -6.928 22.941 39.956 1.00112.41 O +ANISOU 2738 OE1 GLU C 111 16054 12806 13852 -1740 35 3599 O +ATOM 2739 OE2 GLU C 111 -5.907 21.638 38.516 1.00110.51 O +ANISOU 2739 OE2 GLU C 111 15665 11984 14340 -1560 -231 3511 O +ATOM 2740 N LEU C 112 -7.495 25.346 34.957 1.00 73.59 N +ANISOU 2740 N LEU C 112 9991 8119 9849 -1702 57 1984 N +ATOM 2741 CA LEU C 112 -8.451 26.440 34.799 1.00 70.37 C +ANISOU 2741 CA LEU C 112 9430 8010 9299 -1803 235 1777 C +ATOM 2742 C LEU C 112 -9.818 25.934 34.352 1.00 74.62 C +ANISOU 2742 C LEU C 112 9838 8461 10053 -2038 463 1733 C +ATOM 2743 O LEU C 112 -10.850 26.485 34.736 1.00 79.14 O +ANISOU 2743 O LEU C 112 10336 9244 10491 -2167 680 1719 O +ATOM 2744 CB LEU C 112 -7.935 27.467 33.787 1.00 64.91 C +ANISOU 2744 CB LEU C 112 8545 7467 8649 -1656 113 1449 C +ATOM 2745 CG LEU C 112 -6.814 28.415 34.213 1.00 62.44 C +ANISOU 2745 CG LEU C 112 8277 7334 8112 -1473 -69 1416 C +ATOM 2746 CD1 LEU C 112 -6.224 29.115 32.997 1.00 55.91 C +ANISOU 2746 CD1 LEU C 112 7254 6552 7438 -1349 -168 1133 C +ATOM 2747 CD2 LEU C 112 -7.325 29.430 35.223 1.00 62.90 C +ANISOU 2747 CD2 LEU C 112 8413 7678 7809 -1522 46 1430 C +ATOM 2748 N SER C 113 -9.811 24.888 33.532 1.00 74.78 N +ANISOU 2748 N SER C 113 9819 8167 10428 -2091 412 1691 N +ATOM 2749 CA SER C 113 -11.032 24.324 32.963 1.00 72.48 C +ANISOU 2749 CA SER C 113 9376 7759 10405 -2334 571 1603 C +ATOM 2750 C SER C 113 -12.023 23.848 34.021 1.00 75.27 C +ANISOU 2750 C SER C 113 9802 8089 10707 -2574 830 1894 C +ATOM 2751 O SER C 113 -13.230 23.825 33.782 1.00 79.95 O +ANISOU 2751 O SER C 113 10199 8736 11443 -2792 1015 1814 O +ATOM 2752 CB SER C 113 -10.690 23.167 32.024 1.00 74.70 C +ANISOU 2752 CB SER C 113 9666 7653 11065 -2344 446 1507 C +ATOM 2753 OG SER C 113 -10.038 23.637 30.858 1.00 77.37 O +ANISOU 2753 OG SER C 113 9889 8052 11455 -2160 276 1189 O +ATOM 2754 N LYS C 114 -11.506 23.464 35.184 1.00 75.94 N +ANISOU 2754 N LYS C 114 10161 8105 10587 -2532 842 2242 N +ATOM 2755 CA LYS C 114 -12.329 22.918 36.258 1.00 82.24 C +ANISOU 2755 CA LYS C 114 11085 8863 11300 -2753 1113 2581 C +ATOM 2756 C LYS C 114 -13.423 23.894 36.690 1.00 84.17 C +ANISOU 2756 C LYS C 114 11171 9488 11320 -2868 1390 2509 C +ATOM 2757 O LYS C 114 -14.543 23.487 37.000 1.00 88.01 O +ANISOU 2757 O LYS C 114 11570 9952 11916 -3124 1678 2634 O +ATOM 2758 CB LYS C 114 -11.450 22.541 37.452 1.00 85.42 C +ANISOU 2758 CB LYS C 114 11844 9200 11413 -2628 1035 2970 C +ATOM 2759 CG LYS C 114 -10.431 21.456 37.132 1.00 86.89 C +ANISOU 2759 CG LYS C 114 12177 8968 11868 -2501 785 3094 C +ATOM 2760 CD LYS C 114 -9.926 20.760 38.384 1.00 90.97 C +ANISOU 2760 CD LYS C 114 13046 9345 12172 -2451 760 3583 C +ATOM 2761 CE LYS C 114 -8.910 19.684 38.033 1.00 91.60 C +ANISOU 2761 CE LYS C 114 13248 8982 12573 -2285 505 3704 C +ATOM 2762 NZ LYS C 114 -8.393 18.981 39.239 1.00 96.59 N +ANISOU 2762 NZ LYS C 114 14231 9463 13007 -2206 443 4220 N +ATOM 2763 N ASP C 115 -13.091 25.180 36.708 1.00 82.60 N +ANISOU 2763 N ASP C 115 10924 9622 10838 -2678 1316 2304 N +ATOM 2764 CA ASP C 115 -14.049 26.217 37.075 1.00 87.37 C +ANISOU 2764 CA ASP C 115 11377 10578 11242 -2729 1568 2193 C +ATOM 2765 C ASP C 115 -14.593 26.947 35.849 1.00 87.08 C +ANISOU 2765 C ASP C 115 10987 10661 11439 -2709 1526 1814 C +ATOM 2766 O ASP C 115 -15.787 27.232 35.764 1.00 87.61 O +ANISOU 2766 O ASP C 115 10809 10874 11606 -2847 1757 1733 O +ATOM 2767 CB ASP C 115 -13.414 27.221 38.039 1.00 89.94 C +ANISOU 2767 CB ASP C 115 11913 11182 11078 -2539 1537 2219 C +ATOM 2768 CG ASP C 115 -12.892 26.566 39.303 1.00 97.25 C +ANISOU 2768 CG ASP C 115 13209 12045 11698 -2541 1547 2606 C +ATOM 2769 OD1 ASP C 115 -13.572 25.660 39.829 1.00102.35 O +ANISOU 2769 OD1 ASP C 115 13933 12561 12394 -2745 1788 2897 O +ATOM 2770 OD2 ASP C 115 -11.803 26.960 39.772 1.00 97.18 O +ANISOU 2770 OD2 ASP C 115 13408 12117 11399 -2345 1308 2632 O +ATOM 2771 N LEU C 116 -13.708 27.248 34.904 1.00 85.19 N +ANISOU 2771 N LEU C 116 10714 10369 11284 -2526 1234 1597 N +ATOM 2772 CA LEU C 116 -14.037 28.136 33.791 1.00 80.84 C +ANISOU 2772 CA LEU C 116 9890 9974 10853 -2450 1162 1264 C +ATOM 2773 C LEU C 116 -14.936 27.498 32.731 1.00 82.81 C +ANISOU 2773 C LEU C 116 9880 10099 11486 -2626 1167 1122 C +ATOM 2774 O LEU C 116 -15.759 28.183 32.124 1.00 83.91 O +ANISOU 2774 O LEU C 116 9749 10427 11705 -2635 1207 921 O +ATOM 2775 CB LEU C 116 -12.753 28.645 33.127 1.00 75.29 C +ANISOU 2775 CB LEU C 116 9251 9256 10098 -2210 878 1107 C +ATOM 2776 CG LEU C 116 -12.139 29.943 33.664 1.00 74.72 C +ANISOU 2776 CG LEU C 116 9265 9420 9706 -2023 838 1050 C +ATOM 2777 CD1 LEU C 116 -11.787 29.834 35.143 1.00 78.69 C +ANISOU 2777 CD1 LEU C 116 10038 9969 9892 -2025 905 1299 C +ATOM 2778 CD2 LEU C 116 -10.916 30.335 32.847 1.00 69.88 C +ANISOU 2778 CD2 LEU C 116 8657 8761 9134 -1830 577 898 C +ATOM 2779 N GLN C 117 -14.782 26.197 32.504 1.00 83.12 N +ANISOU 2779 N GLN C 117 9998 9813 11770 -2758 1107 1218 N +ATOM 2780 CA GLN C 117 -15.595 25.511 31.498 1.00 81.19 C +ANISOU 2780 CA GLN C 117 9527 9423 11898 -2951 1077 1049 C +ATOM 2781 C GLN C 117 -17.075 25.401 31.899 1.00 83.77 C +ANISOU 2781 C GLN C 117 9613 9852 12365 -3220 1348 1116 C +ATOM 2782 O GLN C 117 -17.948 25.661 31.070 1.00 85.76 O +ANISOU 2782 O GLN C 117 9551 10222 12811 -3301 1318 887 O +ATOM 2783 CB GLN C 117 -15.021 24.119 31.192 1.00 79.09 C +ANISOU 2783 CB GLN C 117 9433 8731 11887 -3025 953 1114 C +ATOM 2784 CG GLN C 117 -15.650 23.430 29.983 1.00 79.48 C +ANISOU 2784 CG GLN C 117 9285 8604 12309 -3199 850 853 C +ATOM 2785 CD GLN C 117 -16.884 22.615 30.333 1.00 83.85 C +ANISOU 2785 CD GLN C 117 9693 9018 13149 -3558 1050 968 C +ATOM 2786 OE1 GLN C 117 -17.179 22.384 31.506 1.00 87.21 O +ANISOU 2786 OE1 GLN C 117 10210 9421 13503 -3680 1293 1292 O +ATOM 2787 NE2 GLN C 117 -17.615 22.182 29.312 1.00 83.12 N +ANISOU 2787 NE2 GLN C 117 9370 8839 13374 -3742 947 701 N +ATOM 2788 N PRO C 118 -17.373 25.009 33.156 1.00 84.28 N +ANISOU 2788 N PRO C 118 9808 9882 12331 -3358 1614 1436 N +ATOM 2789 CA PRO C 118 -18.794 25.028 33.528 1.00 85.85 C +ANISOU 2789 CA PRO C 118 9729 10224 12666 -3604 1919 1489 C +ATOM 2790 C PRO C 118 -19.373 26.440 33.547 1.00 83.70 C +ANISOU 2790 C PRO C 118 9221 10366 12216 -3458 2020 1316 C +ATOM 2791 O PRO C 118 -20.540 26.633 33.206 1.00 85.19 O +ANISOU 2791 O PRO C 118 9039 10697 12632 -3594 2139 1197 O +ATOM 2792 CB PRO C 118 -18.799 24.422 34.936 1.00 86.95 C +ANISOU 2792 CB PRO C 118 10128 10268 12640 -3733 2204 1899 C +ATOM 2793 CG PRO C 118 -17.558 23.608 35.000 1.00 85.56 C +ANISOU 2793 CG PRO C 118 10316 9761 12433 -3639 1982 2053 C +ATOM 2794 CD PRO C 118 -16.553 24.386 34.212 1.00 82.85 C +ANISOU 2794 CD PRO C 118 10002 9516 11960 -3329 1657 1777 C +ATOM 2795 N LEU C 119 -18.557 27.409 33.950 1.00 79.91 N +ANISOU 2795 N LEU C 119 8942 10060 11361 -3184 1965 1300 N +ATOM 2796 CA LEU C 119 -18.977 28.805 33.994 1.00 76.07 C +ANISOU 2796 CA LEU C 119 8284 9914 10707 -3010 2052 1128 C +ATOM 2797 C LEU C 119 -19.369 29.320 32.613 1.00 76.02 C +ANISOU 2797 C LEU C 119 7957 9989 10939 -2936 1839 821 C +ATOM 2798 O LEU C 119 -20.361 30.033 32.465 1.00 81.19 O +ANISOU 2798 O LEU C 119 8299 10869 11679 -2921 1964 705 O +ATOM 2799 CB LEU C 119 -17.862 29.675 34.578 1.00 71.90 C +ANISOU 2799 CB LEU C 119 8063 9488 9769 -2746 1969 1137 C +ATOM 2800 CG LEU C 119 -18.173 31.161 34.767 1.00 69.37 C +ANISOU 2800 CG LEU C 119 7635 9466 9255 -2552 2072 962 C +ATOM 2801 CD1 LEU C 119 -19.194 31.361 35.876 1.00 70.45 C +ANISOU 2801 CD1 LEU C 119 7704 9794 9270 -2648 2486 1076 C +ATOM 2802 CD2 LEU C 119 -16.900 31.944 35.055 1.00 64.91 C +ANISOU 2802 CD2 LEU C 119 7363 8932 8368 -2316 1890 913 C +ATOM 2803 N ALA C 120 -18.584 28.955 31.605 1.00 73.13 N +ANISOU 2803 N ALA C 120 7672 9445 10668 -2873 1522 698 N +ATOM 2804 CA ALA C 120 -18.849 29.382 30.236 1.00 70.43 C +ANISOU 2804 CA ALA C 120 7087 9184 10491 -2792 1292 422 C +ATOM 2805 C ALA C 120 -20.042 28.648 29.629 1.00 70.41 C +ANISOU 2805 C ALA C 120 6752 9143 10858 -3051 1291 335 C +ATOM 2806 O ALA C 120 -20.799 29.223 28.846 1.00 70.32 O +ANISOU 2806 O ALA C 120 6429 9321 10968 -3012 1198 148 O +ATOM 2807 CB ALA C 120 -17.612 29.180 29.373 1.00 67.25 C +ANISOU 2807 CB ALA C 120 6895 8617 10041 -2646 993 315 C +ATOM 2808 N LYS C 121 -20.205 27.379 29.991 1.00 74.11 N +ANISOU 2808 N LYS C 121 7283 9356 11521 -3318 1378 479 N +ATOM 2809 CA LYS C 121 -21.311 26.579 29.477 1.00 83.81 C +ANISOU 2809 CA LYS C 121 8194 10503 13146 -3618 1374 393 C +ATOM 2810 C LYS C 121 -22.644 27.064 30.037 1.00 87.11 C +ANISOU 2810 C LYS C 121 8240 11184 13675 -3735 1661 448 C +ATOM 2811 O LYS C 121 -23.639 27.133 29.317 1.00 93.35 O +ANISOU 2811 O LYS C 121 8630 12098 14741 -3842 1575 269 O +ATOM 2812 CB LYS C 121 -21.098 25.095 29.792 1.00 91.29 C +ANISOU 2812 CB LYS C 121 9331 11052 14302 -3884 1420 556 C +ATOM 2813 CG LYS C 121 -21.964 24.159 28.957 1.00 94.82 C +ANISOU 2813 CG LYS C 121 9504 11327 15196 -4196 1303 382 C +ATOM 2814 CD LYS C 121 -21.817 22.708 29.392 1.00 97.14 C +ANISOU 2814 CD LYS C 121 9995 11177 15737 -4478 1396 573 C +ATOM 2815 CE LYS C 121 -22.156 22.517 30.858 1.00101.26 C +ANISOU 2815 CE LYS C 121 10595 11694 16185 -4615 1800 973 C +ATOM 2816 NZ LYS C 121 -21.968 21.100 31.280 1.00105.07 N +ANISOU 2816 NZ LYS C 121 11343 11751 16828 -4823 1839 1205 N +ATOM 2817 N LYS C 122 -22.657 27.399 31.323 1.00 84.06 N +ANISOU 2817 N LYS C 122 7979 10896 13065 -3704 1997 686 N +ATOM 2818 CA LYS C 122 -23.864 27.906 31.968 1.00 84.64 C +ANISOU 2818 CA LYS C 122 7715 11232 13211 -3781 2339 742 C +ATOM 2819 C LYS C 122 -24.261 29.264 31.397 1.00 82.81 C +ANISOU 2819 C LYS C 122 7211 11319 12934 -3509 2242 510 C +ATOM 2820 O LYS C 122 -25.444 29.537 31.193 1.00 83.90 O +ANISOU 2820 O LYS C 122 6897 11648 13333 -3582 2341 425 O +ATOM 2821 CB LYS C 122 -23.671 28.001 33.483 1.00 83.35 C +ANISOU 2821 CB LYS C 122 7821 11116 12732 -3774 2727 1032 C +ATOM 2822 CG LYS C 122 -23.986 26.707 34.216 1.00 89.22 C +ANISOU 2822 CG LYS C 122 8644 11625 13632 -4124 2982 1327 C +ATOM 2823 CD LYS C 122 -25.417 26.265 33.941 1.00 94.05 C +ANISOU 2823 CD LYS C 122 8815 12311 14609 -4320 3018 1307 C +ATOM 2824 CE LYS C 122 -25.686 24.862 34.462 1.00 98.35 C +ANISOU 2824 CE LYS C 122 9481 12587 15301 -4631 3122 1586 C +ATOM 2825 NZ LYS C 122 -25.578 24.779 35.943 1.00 99.50 N +ANISOU 2825 NZ LYS C 122 9903 12781 15120 -4647 3518 1944 N +ATOM 2826 N PHE C 123 -23.268 30.113 31.151 1.00 75.90 N +ANISOU 2826 N PHE C 123 6598 10488 11752 -3196 2051 423 N +ATOM 2827 CA PHE C 123 -23.520 31.444 30.611 1.00 72.69 C +ANISOU 2827 CA PHE C 123 5996 10332 11290 -2913 1953 235 C +ATOM 2828 C PHE C 123 -24.046 31.366 29.182 1.00 73.64 C +ANISOU 2828 C PHE C 123 5794 10491 11695 -2932 1619 20 C +ATOM 2829 O PHE C 123 -24.867 32.184 28.767 1.00 71.96 O +ANISOU 2829 O PHE C 123 5233 10507 11602 -2803 1591 -96 O +ATOM 2830 CB PHE C 123 -22.248 32.293 30.654 1.00 64.08 C +ANISOU 2830 CB PHE C 123 5283 9229 9835 -2614 1820 207 C +ATOM 2831 CG PHE C 123 -22.436 33.689 30.130 1.00 63.85 C +ANISOU 2831 CG PHE C 123 5101 9403 9757 -2321 1733 44 C +ATOM 2832 CD1 PHE C 123 -23.110 34.640 30.879 1.00 68.52 C +ANISOU 2832 CD1 PHE C 123 5547 10191 10298 -2191 2019 43 C +ATOM 2833 CD2 PHE C 123 -21.946 34.048 28.885 1.00 59.42 C +ANISOU 2833 CD2 PHE C 123 4555 8822 9200 -2165 1383 -101 C +ATOM 2834 CE1 PHE C 123 -23.287 35.925 30.399 1.00 68.08 C +ANISOU 2834 CE1 PHE C 123 5361 10272 10235 -1904 1939 -95 C +ATOM 2835 CE2 PHE C 123 -22.120 35.331 28.399 1.00 58.42 C +ANISOU 2835 CE2 PHE C 123 4309 8851 9038 -1892 1306 -207 C +ATOM 2836 CZ PHE C 123 -22.791 36.270 29.157 1.00 59.94 C +ANISOU 2836 CZ PHE C 123 4354 9202 9219 -1758 1574 -201 C +ATOM 2837 N TRP C 124 -23.569 30.374 28.435 1.00 72.82 N +ANISOU 2837 N TRP C 124 5815 10163 11691 -3078 1358 -39 N +ATOM 2838 CA TRP C 124 -24.001 30.168 27.057 1.00 72.16 C +ANISOU 2838 CA TRP C 124 5483 10110 11826 -3120 1011 -267 C +ATOM 2839 C TRP C 124 -25.428 29.631 27.006 1.00 77.39 C +ANISOU 2839 C TRP C 124 5662 10847 12894 -3408 1082 -304 C +ATOM 2840 O TRP C 124 -26.186 29.939 26.089 1.00 74.23 O +ANISOU 2840 O TRP C 124 4917 10625 12662 -3373 844 -479 O +ATOM 2841 CB TRP C 124 -23.045 29.218 26.331 1.00 72.11 C +ANISOU 2841 CB TRP C 124 5780 9823 11794 -3192 745 -351 C +ATOM 2842 CG TRP C 124 -23.501 28.831 24.954 1.00 75.65 C +ANISOU 2842 CG TRP C 124 6018 10289 12437 -3277 392 -611 C +ATOM 2843 CD1 TRP C 124 -23.465 29.605 23.830 1.00 74.83 C +ANISOU 2843 CD1 TRP C 124 5842 10381 12210 -3049 99 -793 C +ATOM 2844 CD2 TRP C 124 -24.042 27.566 24.552 1.00 77.00 C +ANISOU 2844 CD2 TRP C 124 6049 10267 12940 -3621 282 -722 C +ATOM 2845 NE1 TRP C 124 -23.960 28.905 22.757 1.00 78.04 N +ANISOU 2845 NE1 TRP C 124 6079 10764 12809 -3219 -202 -1023 N +ATOM 2846 CE2 TRP C 124 -24.320 27.650 23.173 1.00 72.48 C +ANISOU 2846 CE2 TRP C 124 5323 9812 12403 -3579 -103 -1005 C +ATOM 2847 CE3 TRP C 124 -24.322 26.372 25.224 1.00 74.85 C +ANISOU 2847 CE3 TRP C 124 5798 9722 12920 -3953 463 -595 C +ATOM 2848 CZ2 TRP C 124 -24.864 26.587 22.454 1.00 76.12 C +ANISOU 2848 CZ2 TRP C 124 5704 10134 13085 -3822 -334 -1169 C +ATOM 2849 CZ3 TRP C 124 -24.862 25.318 24.509 1.00 79.52 C +ANISOU 2849 CZ3 TRP C 124 6324 10155 13734 -4174 233 -731 C +ATOM 2850 CH2 TRP C 124 -25.127 25.433 23.138 1.00 79.58 C +ANISOU 2850 CH2 TRP C 124 6207 10290 13741 -4112 -161 -1031 C +ATOM 2851 N GLU C 125 -25.790 28.821 27.995 1.00 78.30 N +ANISOU 2851 N GLU C 125 5783 10830 13138 -3671 1386 -107 N +ATOM 2852 CA GLU C 125 -27.137 28.270 28.067 1.00 82.18 C +ANISOU 2852 CA GLU C 125 5935 11382 13907 -3874 1430 -50 C +ATOM 2853 C GLU C 125 -28.145 29.354 28.440 1.00 83.73 C +ANISOU 2853 C GLU C 125 5766 11924 14123 -3697 1619 -23 C +ATOM 2854 O GLU C 125 -29.309 29.293 28.045 1.00 89.24 O +ANISOU 2854 O GLU C 125 6073 12774 15059 -3766 1525 -72 O +ATOM 2855 CB GLU C 125 -27.190 27.116 29.071 1.00 84.52 C +ANISOU 2855 CB GLU C 125 6408 11438 14269 -4167 1705 206 C +ATOM 2856 CG GLU C 125 -26.458 25.866 28.602 1.00 89.29 C +ANISOU 2856 CG GLU C 125 7307 11657 14961 -4366 1491 172 C +ATOM 2857 CD GLU C 125 -26.184 24.888 29.726 1.00100.43 C +ANISOU 2857 CD GLU C 125 9000 12797 16360 -4580 1784 479 C +ATOM 2858 OE1 GLU C 125 -26.324 25.278 30.904 1.00106.03 O +ANISOU 2858 OE1 GLU C 125 9752 13634 16899 -4543 2155 720 O +ATOM 2859 OE2 GLU C 125 -25.824 23.728 29.431 1.00103.49 O +ANISOU 2859 OE2 GLU C 125 9589 12840 16892 -4773 1642 479 O +ATOM 2860 N GLU C 126 -27.691 30.345 29.201 1.00 82.61 N +ANISOU 2860 N GLU C 126 5757 11901 13731 -3465 1885 42 N +ATOM 2861 CA GLU C 126 -28.529 31.487 29.554 1.00 85.17 C +ANISOU 2861 CA GLU C 126 5778 12526 14057 -3236 2077 36 C +ATOM 2862 C GLU C 126 -28.719 32.453 28.388 1.00 84.77 C +ANISOU 2862 C GLU C 126 5488 12654 14068 -2967 1735 -181 C +ATOM 2863 O GLU C 126 -29.846 32.748 27.988 1.00 83.15 O +ANISOU 2863 O GLU C 126 4873 12641 14079 -2912 1645 -223 O +ATOM 2864 CB GLU C 126 -27.933 32.250 30.740 1.00 89.93 C +ANISOU 2864 CB GLU C 126 6651 13180 14339 -3066 2466 138 C +ATOM 2865 CG GLU C 126 -27.979 31.517 32.066 1.00103.23 C +ANISOU 2865 CG GLU C 126 8537 14777 15908 -3274 2863 395 C +ATOM 2866 CD GLU C 126 -27.278 32.287 33.169 1.00111.71 C +ANISOU 2866 CD GLU C 126 9945 15915 16584 -3097 3193 463 C +ATOM 2867 OE1 GLU C 126 -27.203 33.530 33.071 1.00113.62 O +ANISOU 2867 OE1 GLU C 126 10129 16324 16716 -2803 3210 305 O +ATOM 2868 OE2 GLU C 126 -26.802 31.651 34.133 1.00115.55 O +ANISOU 2868 OE2 GLU C 126 10768 16280 16855 -3246 3422 673 O +ATOM 2869 N THR C 127 -27.606 32.941 27.848 1.00 75.44 N +ANISOU 2869 N THR C 127 4563 11417 12683 -2798 1540 -301 N +ATOM 2870 CA THR C 127 -27.633 34.073 26.927 1.00 73.93 C +ANISOU 2870 CA THR C 127 4247 11398 12446 -2468 1266 -443 C +ATOM 2871 C THR C 127 -27.342 33.707 25.472 1.00 72.95 C +ANISOU 2871 C THR C 127 4150 11231 12338 -2480 766 -599 C +ATOM 2872 O THR C 127 -27.658 34.473 24.562 1.00 81.71 O +ANISOU 2872 O THR C 127 5073 12510 13462 -2252 494 -697 O +ATOM 2873 CB THR C 127 -26.623 35.152 27.364 1.00 75.31 C +ANISOU 2873 CB THR C 127 4833 11545 12238 -2140 1362 -393 C +ATOM 2874 OG1 THR C 127 -25.291 34.635 27.252 1.00 66.57 O +ANISOU 2874 OG1 THR C 127 4216 10209 10867 -2185 1226 -362 O +ATOM 2875 CG2 THR C 127 -26.877 35.565 28.806 1.00 73.57 C +ANISOU 2875 CG2 THR C 127 4634 11381 11938 -2108 1845 -280 C +ATOM 2876 N GLY C 128 -26.744 32.542 25.250 1.00 72.31 N +ANISOU 2876 N GLY C 128 4316 10918 12241 -2730 650 -619 N +ATOM 2877 CA GLY C 128 -26.367 32.138 23.907 1.00 71.59 C +ANISOU 2877 CA GLY C 128 4317 10773 12112 -2739 209 -797 C +ATOM 2878 C GLY C 128 -25.071 32.787 23.455 1.00 74.50 C +ANISOU 2878 C GLY C 128 5129 11086 12092 -2444 70 -799 C +ATOM 2879 O GLY C 128 -24.652 32.631 22.308 1.00 66.39 O +ANISOU 2879 O GLY C 128 4223 10045 10956 -2389 -263 -940 O +ATOM 2880 N ILE C 129 -24.435 33.519 24.364 1.00 64.54 N +ANISOU 2880 N ILE C 129 4109 9798 10617 -2263 336 -652 N +ATOM 2881 CA ILE C 129 -23.196 34.223 24.058 1.00 62.60 C +ANISOU 2881 CA ILE C 129 4249 9494 10042 -2000 244 -637 C +ATOM 2882 C ILE C 129 -21.980 33.338 24.309 1.00 60.82 C +ANISOU 2882 C ILE C 129 4431 9005 9671 -2117 264 -597 C +ATOM 2883 O ILE C 129 -21.775 32.849 25.420 1.00 58.60 O +ANISOU 2883 O ILE C 129 4278 8598 9391 -2253 516 -465 O +ATOM 2884 CB ILE C 129 -23.061 35.510 24.892 1.00 61.00 C +ANISOU 2884 CB ILE C 129 4106 9375 9698 -1747 488 -532 C +ATOM 2885 CG1 ILE C 129 -24.268 36.422 24.665 1.00 67.55 C +ANISOU 2885 CG1 ILE C 129 4518 10440 10707 -1586 484 -567 C +ATOM 2886 CG2 ILE C 129 -21.763 36.232 24.559 1.00 61.25 C +ANISOU 2886 CG2 ILE C 129 4513 9324 9437 -1515 388 -519 C +ATOM 2887 CD1 ILE C 129 -24.261 37.665 25.525 1.00 61.20 C +ANISOU 2887 CD1 ILE C 129 3756 9688 9811 -1338 753 -500 C +ATOM 2888 N GLU C 130 -21.176 33.136 23.271 1.00 64.47 N +ANISOU 2888 N GLU C 130 5098 9394 10003 -2046 4 -702 N +ATOM 2889 CA GLU C 130 -19.956 32.349 23.395 1.00 67.03 C +ANISOU 2889 CA GLU C 130 5787 9469 10214 -2104 6 -680 C +ATOM 2890 C GLU C 130 -18.842 33.132 24.080 1.00 61.83 C +ANISOU 2890 C GLU C 130 5413 8770 9310 -1904 148 -548 C +ATOM 2891 O GLU C 130 -18.749 34.351 23.942 1.00 62.01 O +ANISOU 2891 O GLU C 130 5424 8933 9204 -1678 148 -535 O +ATOM 2892 CB GLU C 130 -19.480 31.878 22.017 1.00 71.77 C +ANISOU 2892 CB GLU C 130 6496 10020 10755 -2081 -289 -866 C +ATOM 2893 CG GLU C 130 -20.436 30.937 21.297 1.00 81.05 C +ANISOU 2893 CG GLU C 130 7440 11195 12161 -2315 -481 -1048 C +ATOM 2894 CD GLU C 130 -20.370 29.512 21.818 1.00 84.55 C +ANISOU 2894 CD GLU C 130 7965 11343 12819 -2610 -393 -1045 C +ATOM 2895 OE1 GLU C 130 -19.671 29.268 22.824 1.00 85.79 O +ANISOU 2895 OE1 GLU C 130 8340 11322 12936 -2621 -174 -864 O +ATOM 2896 OE2 GLU C 130 -21.015 28.631 21.213 1.00 87.56 O +ANISOU 2896 OE2 GLU C 130 8197 11659 13412 -2833 -559 -1224 O +ATOM 2897 N ILE C 131 -18.003 32.418 24.822 1.00 64.99 N +ANISOU 2897 N ILE C 131 6064 8963 9666 -1990 252 -448 N +ATOM 2898 CA ILE C 131 -16.790 32.996 25.385 1.00 60.13 C +ANISOU 2898 CA ILE C 131 5724 8293 8829 -1823 319 -349 C +ATOM 2899 C ILE C 131 -15.586 32.325 24.739 1.00 63.46 C +ANISOU 2899 C ILE C 131 6375 8532 9205 -1790 166 -400 C +ATOM 2900 O ILE C 131 -15.261 31.182 25.059 1.00 68.25 O +ANISOU 2900 O ILE C 131 7098 8930 9904 -1930 179 -356 O +ATOM 2901 CB ILE C 131 -16.720 32.819 26.915 1.00 57.72 C +ANISOU 2901 CB ILE C 131 5530 7931 8470 -1909 558 -167 C +ATOM 2902 CG1 ILE C 131 -17.907 33.505 27.594 1.00 59.43 C +ANISOU 2902 CG1 ILE C 131 5519 8341 8722 -1923 767 -134 C +ATOM 2903 CG2 ILE C 131 -15.403 33.358 27.457 1.00 56.84 C +ANISOU 2903 CG2 ILE C 131 5696 7768 8133 -1750 562 -92 C +ATOM 2904 CD1 ILE C 131 -17.939 33.318 29.096 1.00 61.25 C +ANISOU 2904 CD1 ILE C 131 5874 8551 8847 -2013 1034 40 C +ATOM 2905 N ILE C 132 -14.929 33.028 23.822 1.00 63.35 N +ANISOU 2905 N ILE C 132 6423 8585 9061 -1599 41 -483 N +ATOM 2906 CA ILE C 132 -13.835 32.423 23.073 1.00 64.38 C +ANISOU 2906 CA ILE C 132 6734 8571 9155 -1550 -74 -560 C +ATOM 2907 C ILE C 132 -12.475 32.930 23.543 1.00 58.94 C +ANISOU 2907 C ILE C 132 6238 7823 8335 -1402 -21 -459 C +ATOM 2908 O ILE C 132 -12.311 34.105 23.876 1.00 54.24 O +ANISOU 2908 O ILE C 132 5639 7342 7628 -1284 36 -398 O +ATOM 2909 CB ILE C 132 -13.979 32.670 21.550 1.00 67.39 C +ANISOU 2909 CB ILE C 132 7063 9073 9471 -1457 -247 -734 C +ATOM 2910 CG1 ILE C 132 -13.837 34.156 21.212 1.00 70.78 C +ANISOU 2910 CG1 ILE C 132 7471 9688 9735 -1248 -244 -686 C +ATOM 2911 CG2 ILE C 132 -15.313 32.139 21.049 1.00 65.18 C +ANISOU 2911 CG2 ILE C 132 6569 8866 9332 -1615 -359 -861 C +ATOM 2912 CD1 ILE C 132 -13.878 34.445 19.727 1.00 74.91 C +ANISOU 2912 CD1 ILE C 132 7991 10341 10131 -1134 -407 -806 C +ATOM 2913 N ALA C 133 -11.510 32.019 23.594 1.00 60.63 N +ANISOU 2913 N ALA C 133 6604 7839 8592 -1413 -47 -450 N +ATOM 2914 CA ALA C 133 -10.138 32.368 23.932 1.00 56.01 C +ANISOU 2914 CA ALA C 133 6158 7197 7927 -1277 -34 -372 C +ATOM 2915 C ALA C 133 -9.371 32.702 22.660 1.00 61.25 C +ANISOU 2915 C ALA C 133 6845 7900 8528 -1128 -96 -493 C +ATOM 2916 O ALA C 133 -8.817 31.817 22.008 1.00 61.34 O +ANISOU 2916 O ALA C 133 6922 7783 8603 -1109 -140 -590 O +ATOM 2917 CB ALA C 133 -9.466 31.233 24.686 1.00 49.07 C +ANISOU 2917 CB ALA C 133 5409 6089 7147 -1332 -33 -272 C +ATOM 2918 N ILE C 134 -9.334 33.985 22.317 1.00 60.42 N +ANISOU 2918 N ILE C 134 6697 7959 8302 -1017 -78 -482 N +ATOM 2919 CA ILE C 134 -8.752 34.419 21.054 1.00 57.09 C +ANISOU 2919 CA ILE C 134 6298 7606 7787 -885 -103 -563 C +ATOM 2920 C ILE C 134 -7.440 35.177 21.278 1.00 57.70 C +ANISOU 2920 C ILE C 134 6428 7661 7835 -775 -39 -475 C +ATOM 2921 O ILE C 134 -6.507 35.063 20.481 1.00 60.69 O +ANISOU 2921 O ILE C 134 6845 8018 8195 -686 -16 -521 O +ATOM 2922 CB ILE C 134 -9.756 35.295 20.265 1.00 53.81 C +ANISOU 2922 CB ILE C 134 5793 7386 7268 -839 -146 -596 C +ATOM 2923 CG1 ILE C 134 -9.113 35.874 19.002 1.00 55.26 C +ANISOU 2923 CG1 ILE C 134 6038 7655 7302 -693 -148 -626 C +ATOM 2924 CG2 ILE C 134 -10.320 36.396 21.150 1.00 53.19 C +ANISOU 2924 CG2 ILE C 134 5638 7380 7191 -825 -84 -482 C +ATOM 2925 CD1 ILE C 134 -10.078 36.642 18.124 1.00 57.55 C +ANISOU 2925 CD1 ILE C 134 6266 8136 7466 -623 -229 -633 C +ATOM 2926 N GLY C 135 -7.363 35.920 22.378 1.00 52.67 N +ANISOU 2926 N GLY C 135 5783 7029 7201 -790 -2 -365 N +ATOM 2927 CA GLY C 135 -6.137 36.599 22.765 1.00 53.31 C +ANISOU 2927 CA GLY C 135 5891 7073 7292 -728 27 -298 C +ATOM 2928 C GLY C 135 -5.595 37.615 21.774 1.00 57.50 C +ANISOU 2928 C GLY C 135 6405 7668 7776 -625 81 -296 C +ATOM 2929 O GLY C 135 -6.264 38.593 21.440 1.00 60.78 O +ANISOU 2929 O GLY C 135 6801 8169 8122 -589 105 -275 O +ATOM 2930 N LYS C 136 -4.372 37.373 21.307 1.00 54.16 N +ANISOU 2930 N LYS C 136 5981 7192 7404 -570 113 -303 N +ATOM 2931 CA LYS C 136 -3.629 38.330 20.486 1.00 54.62 C +ANISOU 2931 CA LYS C 136 6019 7294 7440 -494 208 -264 C +ATOM 2932 C LYS C 136 -4.300 38.677 19.155 1.00 53.48 C +ANISOU 2932 C LYS C 136 5914 7270 7137 -425 248 -284 C +ATOM 2933 O LYS C 136 -4.010 39.716 18.564 1.00 50.14 O +ANISOU 2933 O LYS C 136 5499 6889 6663 -370 334 -199 O +ATOM 2934 CB LYS C 136 -2.214 37.804 20.216 1.00 58.04 C +ANISOU 2934 CB LYS C 136 6407 7662 7984 -447 264 -278 C +ATOM 2935 CG LYS C 136 -1.259 37.943 21.393 1.00 64.07 C +ANISOU 2935 CG LYS C 136 7098 8338 8907 -488 208 -218 C +ATOM 2936 CD LYS C 136 0.151 37.502 21.023 1.00 70.05 C +ANISOU 2936 CD LYS C 136 7749 9050 9817 -420 268 -226 C +ATOM 2937 CE LYS C 136 1.171 37.988 22.044 1.00 70.65 C +ANISOU 2937 CE LYS C 136 7709 9077 10059 -464 190 -160 C +ATOM 2938 NZ LYS C 136 1.238 37.096 23.236 1.00 70.95 N +ANISOU 2938 NZ LYS C 136 7765 9043 10151 -481 10 -142 N +ATOM 2939 N SER C 137 -5.182 37.807 18.675 1.00 57.54 N +ANISOU 2939 N SER C 137 6455 7835 7571 -435 174 -387 N +ATOM 2940 CA SER C 137 -5.832 38.031 17.386 1.00 58.72 C +ANISOU 2940 CA SER C 137 6649 8129 7533 -366 158 -423 C +ATOM 2941 C SER C 137 -6.978 39.040 17.473 1.00 51.11 C +ANISOU 2941 C SER C 137 5648 7257 6516 -348 98 -339 C +ATOM 2942 O SER C 137 -7.431 39.564 16.455 1.00 49.77 O +ANISOU 2942 O SER C 137 5512 7214 6184 -260 71 -306 O +ATOM 2943 CB SER C 137 -6.350 36.707 16.821 1.00 62.46 C +ANISOU 2943 CB SER C 137 7157 8619 7957 -399 66 -604 C +ATOM 2944 OG SER C 137 -6.851 36.873 15.507 1.00 70.65 O +ANISOU 2944 OG SER C 137 8255 9820 8767 -326 21 -663 O +ATOM 2945 N SER C 138 -7.437 39.312 18.689 1.00 47.53 N +ANISOU 2945 N SER C 138 5129 6743 6186 -414 79 -303 N +ATOM 2946 CA SER C 138 -8.592 40.182 18.903 1.00 49.27 C +ANISOU 2946 CA SER C 138 5285 7034 6401 -380 41 -249 C +ATOM 2947 C SER C 138 -8.229 41.653 19.094 1.00 53.21 C +ANISOU 2947 C SER C 138 5810 7479 6929 -302 130 -118 C +ATOM 2948 O SER C 138 -7.316 41.986 19.850 1.00 55.58 O +ANISOU 2948 O SER C 138 6136 7658 7322 -346 204 -92 O +ATOM 2949 CB SER C 138 -9.391 39.699 20.112 1.00 43.23 C +ANISOU 2949 CB SER C 138 4439 6243 5745 -488 17 -293 C +ATOM 2950 OG SER C 138 -10.188 40.741 20.644 1.00 41.27 O +ANISOU 2950 OG SER C 138 4124 6024 5534 -437 48 -238 O +ATOM 2951 N VAL C 139 -8.955 42.526 18.402 1.00 50.57 N +ANISOU 2951 N VAL C 139 4408 7361 7444 -943 542 -686 N +ATOM 2952 CA VAL C 139 -8.810 43.969 18.583 1.00 47.77 C +ANISOU 2952 CA VAL C 139 4086 6979 7084 -786 509 -586 C +ATOM 2953 C VAL C 139 -9.494 44.480 19.867 1.00 40.25 C +ANISOU 2953 C VAL C 139 3084 5972 6236 -721 636 -599 C +ATOM 2954 O VAL C 139 -8.911 45.301 20.578 1.00 37.09 O +ANISOU 2954 O VAL C 139 2802 5465 5824 -632 678 -551 O +ATOM 2955 CB VAL C 139 -9.353 44.744 17.355 1.00 48.70 C +ANISOU 2955 CB VAL C 139 4080 7233 7190 -704 331 -536 C +ATOM 2956 CG1 VAL C 139 -9.453 46.234 17.650 1.00 38.44 C +ANISOU 2956 CG1 VAL C 139 2784 5869 5951 -536 289 -435 C +ATOM 2957 CG2 VAL C 139 -8.470 44.497 16.145 1.00 48.66 C +ANISOU 2957 CG2 VAL C 139 4159 7302 7029 -756 220 -507 C +ATOM 2958 N PRO C 140 -10.725 44.010 20.174 1.00 44.03 N +ANISOU 2958 N PRO C 140 3377 6535 6816 -772 703 -678 N +ATOM 2959 CA PRO C 140 -11.312 44.409 21.462 1.00 49.94 C +ANISOU 2959 CA PRO C 140 4076 7261 7637 -727 859 -712 C +ATOM 2960 C PRO C 140 -10.438 44.078 22.676 1.00 59.11 C +ANISOU 2960 C PRO C 140 5443 8299 8718 -784 1006 -692 C +ATOM 2961 O PRO C 140 -10.423 44.848 23.636 1.00 60.82 O +ANISOU 2961 O PRO C 140 5699 8475 8934 -696 1096 -702 O +ATOM 2962 CB PRO C 140 -12.617 43.613 21.506 1.00 41.33 C +ANISOU 2962 CB PRO C 140 2759 6297 6648 -834 923 -799 C +ATOM 2963 CG PRO C 140 -13.000 43.471 20.092 1.00 45.68 C +ANISOU 2963 CG PRO C 140 3183 6953 7220 -838 738 -810 C +ATOM 2964 CD PRO C 140 -11.711 43.289 19.343 1.00 47.10 C +ANISOU 2964 CD PRO C 140 3567 7066 7262 -857 634 -749 C +ATOM 2965 N VAL C 141 -9.734 42.950 22.634 1.00 37.43 N +ANISOU 2965 N VAL C 141 2820 5492 5909 -925 1019 -675 N +ATOM 2966 CA VAL C 141 -8.811 42.585 23.706 1.00 46.30 C +ANISOU 2966 CA VAL C 141 4147 6491 6953 -977 1119 -634 C +ATOM 2967 C VAL C 141 -7.700 43.626 23.839 1.00 51.46 C +ANISOU 2967 C VAL C 141 4965 7052 7536 -847 1064 -582 C +ATOM 2968 O VAL C 141 -7.361 44.049 24.946 1.00 49.62 O +ANISOU 2968 O VAL C 141 4837 6759 7256 -812 1151 -573 O +ATOM 2969 CB VAL C 141 -8.194 41.189 23.471 1.00 43.14 C +ANISOU 2969 CB VAL C 141 3841 6015 6537 -1130 1100 -624 C +ATOM 2970 CG1 VAL C 141 -6.990 40.970 24.376 1.00 38.30 C +ANISOU 2970 CG1 VAL C 141 3454 5258 5842 -1146 1141 -559 C +ATOM 2971 CG2 VAL C 141 -9.237 40.105 23.694 1.00 45.04 C +ANISOU 2971 CG2 VAL C 141 3949 6302 6862 -1290 1182 -662 C +ATOM 2972 N ARG C 142 -7.146 44.045 22.706 1.00 34.36 N +ANISOU 2972 N ARG C 142 2816 4886 5355 -788 919 -550 N +ATOM 2973 CA ARG C 142 -6.103 45.064 22.695 1.00 48.10 C +ANISOU 2973 CA ARG C 142 4692 6538 7047 -683 856 -489 C +ATOM 2974 C ARG C 142 -6.647 46.390 23.218 1.00 47.87 C +ANISOU 2974 C ARG C 142 4611 6495 7081 -541 871 -497 C +ATOM 2975 O ARG C 142 -5.958 47.115 23.937 1.00 39.87 O +ANISOU 2975 O ARG C 142 3723 5379 6045 -476 891 -484 O +ATOM 2976 CB ARG C 142 -5.537 45.240 21.284 1.00 44.47 C +ANISOU 2976 CB ARG C 142 4233 6116 6546 -672 708 -440 C +ATOM 2977 CG ARG C 142 -4.612 46.438 21.115 1.00 47.70 C +ANISOU 2977 CG ARG C 142 4748 6448 6927 -575 634 -354 C +ATOM 2978 CD ARG C 142 -3.366 46.338 21.981 1.00 38.46 C +ANISOU 2978 CD ARG C 142 3757 5148 5707 -597 688 -344 C +ATOM 2979 NE ARG C 142 -2.442 47.441 21.722 1.00 42.32 N +ANISOU 2979 NE ARG C 142 4332 5564 6183 -530 610 -263 N +ATOM 2980 CZ ARG C 142 -1.369 47.709 22.459 1.00 40.92 C +ANISOU 2980 CZ ARG C 142 4295 5270 5983 -525 630 -251 C +ATOM 2981 NH1 ARG C 142 -1.075 46.954 23.508 1.00 39.54 N +ANISOU 2981 NH1 ARG C 142 4200 5044 5779 -574 716 -304 N +ATOM 2982 NH2 ARG C 142 -0.588 48.735 22.147 1.00 35.76 N +ANISOU 2982 NH2 ARG C 142 3700 4550 5338 -481 554 -175 N +ATOM 2983 N ILE C 143 -7.889 46.698 22.857 1.00 45.29 N +ANISOU 2983 N ILE C 143 4090 6269 6851 -488 853 -535 N +ATOM 2984 CA ILE C 143 -8.558 47.886 23.371 1.00 41.05 C +ANISOU 2984 CA ILE C 143 3467 5716 6415 -337 870 -576 C +ATOM 2985 C ILE C 143 -8.719 47.771 24.884 1.00 44.79 C +ANISOU 2985 C ILE C 143 3980 6175 6862 -355 1057 -664 C +ATOM 2986 O ILE C 143 -8.491 48.733 25.619 1.00 47.45 O +ANISOU 2986 O ILE C 143 4378 6435 7217 -246 1086 -705 O +ATOM 2987 CB ILE C 143 -9.931 48.094 22.701 1.00 50.02 C +ANISOU 2987 CB ILE C 143 4352 6976 7678 -278 810 -613 C +ATOM 2988 CG1 ILE C 143 -9.745 48.520 21.243 1.00 48.28 C +ANISOU 2988 CG1 ILE C 143 4110 6774 7461 -233 598 -505 C +ATOM 2989 CG2 ILE C 143 -10.755 49.129 23.455 1.00 46.11 C +ANISOU 2989 CG2 ILE C 143 3735 6467 7317 -122 866 -703 C +ATOM 2990 CD1 ILE C 143 -11.012 48.465 20.426 1.00 49.63 C +ANISOU 2990 CD1 ILE C 143 4039 7089 7728 -204 504 -527 C +ATOM 2991 N ALA C 144 -9.108 46.584 25.343 1.00 46.62 N +ANISOU 2991 N ALA C 144 4182 6485 7047 -503 1181 -693 N +ATOM 2992 CA ALA C 144 -9.202 46.303 26.771 1.00 49.65 C +ANISOU 2992 CA ALA C 144 4623 6885 7357 -561 1366 -745 C +ATOM 2993 C ALA C 144 -7.832 46.404 27.438 1.00 48.62 C +ANISOU 2993 C ALA C 144 4747 6626 7102 -569 1361 -696 C +ATOM 2994 O ALA C 144 -7.711 46.883 28.566 1.00 48.60 O +ANISOU 2994 O ALA C 144 4816 6614 7034 -531 1458 -751 O +ATOM 2995 CB ALA C 144 -9.803 44.927 27.003 1.00 47.91 C +ANISOU 2995 CB ALA C 144 4335 6754 7115 -748 1476 -739 C +ATOM 2996 N GLU C 145 -6.804 45.946 26.730 1.00 49.04 N +ANISOU 2996 N GLU C 145 4922 6594 7118 -618 1245 -607 N +ATOM 2997 CA GLU C 145 -5.436 45.994 27.234 1.00 51.91 C +ANISOU 2997 CA GLU C 145 5503 6837 7385 -626 1216 -559 C +ATOM 2998 C GLU C 145 -4.968 47.437 27.395 1.00 52.29 C +ANISOU 2998 C GLU C 145 5605 6805 7457 -476 1156 -583 C +ATOM 2999 O GLU C 145 -4.278 47.773 28.358 1.00 46.79 O +ANISOU 2999 O GLU C 145 5048 6043 6686 -461 1187 -604 O +ATOM 3000 CB GLU C 145 -4.491 45.229 26.304 1.00 48.94 C +ANISOU 3000 CB GLU C 145 5200 6402 6992 -697 1105 -485 C +ATOM 3001 CG GLU C 145 -3.063 45.149 26.817 1.00 55.46 C +ANISOU 3001 CG GLU C 145 6224 7111 7739 -710 1070 -440 C +ATOM 3002 CD GLU C 145 -2.219 44.136 26.068 1.00 63.64 C +ANISOU 3002 CD GLU C 145 7308 8102 8772 -790 993 -399 C +ATOM 3003 OE1 GLU C 145 -1.843 44.411 24.909 1.00 67.38 O +ANISOU 3003 OE1 GLU C 145 7741 8589 9271 -758 897 -389 O +ATOM 3004 OE2 GLU C 145 -1.926 43.065 26.641 1.00 67.79 O +ANISOU 3004 OE2 GLU C 145 7908 8579 9269 -885 1028 -378 O +ATOM 3005 N ILE C 146 -5.344 48.282 26.440 1.00 51.33 N +ANISOU 3005 N ILE C 146 5375 6681 7447 -373 1054 -576 N +ATOM 3006 CA ILE C 146 -5.007 49.700 26.486 1.00 49.68 C +ANISOU 3006 CA ILE C 146 5202 6366 7308 -232 978 -587 C +ATOM 3007 C ILE C 146 -5.655 50.363 27.698 1.00 48.16 C +ANISOU 3007 C ILE C 146 4975 6181 7142 -145 1093 -727 C +ATOM 3008 O ILE C 146 -5.019 51.148 28.404 1.00 50.69 O +ANISOU 3008 O ILE C 146 5410 6398 7450 -83 1086 -777 O +ATOM 3009 CB ILE C 146 -5.446 50.425 25.193 1.00 52.81 C +ANISOU 3009 CB ILE C 146 5476 6760 7828 -144 833 -524 C +ATOM 3010 CG1 ILE C 146 -4.525 50.047 24.032 1.00 47.09 C +ANISOU 3010 CG1 ILE C 146 4820 6029 7042 -221 716 -394 C +ATOM 3011 CG2 ILE C 146 -5.457 51.935 25.390 1.00 35.88 C +ANISOU 3011 CG2 ILE C 146 3334 4487 5813 15 763 -549 C +ATOM 3012 CD1 ILE C 146 -4.948 50.631 22.703 1.00 42.08 C +ANISOU 3012 CD1 ILE C 146 4078 5432 6479 -164 569 -302 C +ATOM 3013 N TYR C 147 -6.919 50.029 27.943 1.00 44.97 N +ANISOU 3013 N TYR C 147 4402 5912 6774 -148 1204 -808 N +ATOM 3014 CA TYR C 147 -7.651 50.575 29.083 1.00 48.47 C +ANISOU 3014 CA TYR C 147 4777 6409 7231 -71 1345 -970 C +ATOM 3015 C TYR C 147 -7.083 50.086 30.409 1.00 47.50 C +ANISOU 3015 C TYR C 147 4819 6315 6913 -169 1480 -1008 C +ATOM 3016 O TYR C 147 -7.147 50.794 31.415 1.00 51.36 O +ANISOU 3016 O TYR C 147 5337 6809 7369 -94 1561 -1146 O +ATOM 3017 CB TYR C 147 -9.137 50.224 28.988 1.00 47.77 C +ANISOU 3017 CB TYR C 147 4441 6487 7223 -73 1447 -1045 C +ATOM 3018 CG TYR C 147 -9.938 51.250 28.223 1.00 54.71 C +ANISOU 3018 CG TYR C 147 5127 7339 8320 106 1336 -1091 C +ATOM 3019 CD1 TYR C 147 -10.313 52.447 28.819 1.00 61.17 C +ANISOU 3019 CD1 TYR C 147 5881 8102 9257 283 1358 -1246 C +ATOM 3020 CD2 TYR C 147 -10.315 51.026 26.906 1.00 57.86 C +ANISOU 3020 CD2 TYR C 147 5410 7763 8811 102 1194 -986 C +ATOM 3021 CE1 TYR C 147 -11.042 53.393 28.124 1.00 59.81 C +ANISOU 3021 CE1 TYR C 147 5531 7877 9317 461 1233 -1278 C +ATOM 3022 CE2 TYR C 147 -11.045 51.966 26.204 1.00 58.30 C +ANISOU 3022 CE2 TYR C 147 5294 7791 9066 268 1065 -1003 C +ATOM 3023 CZ TYR C 147 -11.405 53.147 26.818 1.00 57.39 C +ANISOU 3023 CZ TYR C 147 5115 7596 9093 452 1080 -1140 C +ATOM 3024 OH TYR C 147 -12.130 54.086 26.124 1.00 58.77 O +ANISOU 3024 OH TYR C 147 5117 7716 9498 632 928 -1147 O +ATOM 3025 N ALA C 148 -6.541 48.873 30.411 1.00 46.35 N +ANISOU 3025 N ALA C 148 4779 6190 6643 -333 1494 -891 N +ATOM 3026 CA ALA C 148 -5.866 48.346 31.591 1.00 50.61 C +ANISOU 3026 CA ALA C 148 5498 6741 6991 -433 1579 -880 C +ATOM 3027 C ALA C 148 -4.691 49.248 31.952 1.00 51.84 C +ANISOU 3027 C ALA C 148 5824 6757 7114 -349 1479 -904 C +ATOM 3028 O ALA C 148 -4.395 49.461 33.127 1.00 54.15 O +ANISOU 3028 O ALA C 148 6227 7077 7272 -355 1550 -980 O +ATOM 3029 CB ALA C 148 -5.397 46.921 31.352 1.00 50.76 C +ANISOU 3029 CB ALA C 148 5599 6753 6936 -602 1561 -733 C +ATOM 3030 N GLY C 149 -4.025 49.770 30.928 1.00 45.93 N +ANISOU 3030 N GLY C 149 5095 5875 6483 -285 1314 -839 N +ATOM 3031 CA GLY C 149 -2.951 50.726 31.116 1.00 46.68 C +ANISOU 3031 CA GLY C 149 5323 5823 6592 -213 1206 -857 C +ATOM 3032 C GLY C 149 -3.454 52.054 31.648 1.00 50.35 C +ANISOU 3032 C GLY C 149 5734 6249 7146 -63 1229 -1025 C +ATOM 3033 O GLY C 149 -2.855 52.641 32.549 1.00 52.84 O +ANISOU 3033 O GLY C 149 6168 6507 7402 -32 1227 -1121 O +ATOM 3034 N ILE C 150 -4.558 52.529 31.080 1.00 51.11 N +ANISOU 3034 N ILE C 150 5645 6373 7401 36 1236 -1072 N +ATOM 3035 CA ILE C 150 -5.142 53.807 31.473 1.00 51.42 C +ANISOU 3035 CA ILE C 150 5602 6354 7581 205 1244 -1248 C +ATOM 3036 C ILE C 150 -5.600 53.794 32.929 1.00 41.87 C +ANISOU 3036 C ILE C 150 4396 5276 6236 207 1431 -1449 C +ATOM 3037 O ILE C 150 -5.361 54.746 33.672 1.00 46.06 O +ANISOU 3037 O ILE C 150 4983 5732 6787 305 1430 -1615 O +ATOM 3038 CB ILE C 150 -6.340 54.175 30.572 1.00 47.84 C +ANISOU 3038 CB ILE C 150 4920 5923 7333 314 1210 -1253 C +ATOM 3039 CG1 ILE C 150 -5.895 54.275 29.112 1.00 45.20 C +ANISOU 3039 CG1 ILE C 150 4590 5482 7101 308 1016 -1048 C +ATOM 3040 CG2 ILE C 150 -6.983 55.477 31.030 1.00 47.73 C +ANISOU 3040 CG2 ILE C 150 4803 5831 7500 509 1214 -1456 C +ATOM 3041 CD1 ILE C 150 -6.988 54.726 28.175 1.00 45.03 C +ANISOU 3041 CD1 ILE C 150 4358 5473 7278 422 936 -1028 C +ATOM 3042 N PHE C 151 -6.252 52.710 33.334 1.00 42.20 N +ANISOU 3042 N PHE C 151 4380 5520 6133 89 1594 -1437 N +ATOM 3043 CA PHE C 151 -6.759 52.601 34.696 1.00 52.79 C +ANISOU 3043 CA PHE C 151 5715 7036 7305 62 1797 -1606 C +ATOM 3044 C PHE C 151 -5.627 52.337 35.682 1.00 56.82 C +ANISOU 3044 C PHE C 151 6471 7541 7577 -34 1798 -1588 C +ATOM 3045 O PHE C 151 -5.748 52.625 36.873 1.00 65.62 O +ANISOU 3045 O PHE C 151 7630 8767 8537 -27 1920 -1757 O +ATOM 3046 CB PHE C 151 -7.818 51.501 34.792 1.00 49.69 C +ANISOU 3046 CB PHE C 151 5178 6864 6837 -63 1971 -1568 C +ATOM 3047 CG PHE C 151 -9.197 51.955 34.405 1.00 52.39 C +ANISOU 3047 CG PHE C 151 5240 7289 7377 54 2039 -1698 C +ATOM 3048 CD1 PHE C 151 -9.940 52.754 35.258 1.00 57.82 C +ANISOU 3048 CD1 PHE C 151 5806 8078 8086 174 2181 -1955 C +ATOM 3049 CD2 PHE C 151 -9.750 51.586 33.191 1.00 56.60 C +ANISOU 3049 CD2 PHE C 151 5618 7810 8077 50 1955 -1581 C +ATOM 3050 CE1 PHE C 151 -11.211 53.176 34.908 1.00 51.44 C +ANISOU 3050 CE1 PHE C 151 4714 7345 7487 298 2236 -2088 C +ATOM 3051 CE2 PHE C 151 -11.021 52.003 32.835 1.00 47.91 C +ANISOU 3051 CE2 PHE C 151 4243 6790 7170 163 1996 -1699 C +ATOM 3052 CZ PHE C 151 -11.751 52.800 33.695 1.00 50.61 C +ANISOU 3052 CZ PHE C 151 4452 7221 7556 293 2136 -1950 C +ATOM 3053 N SER C 152 -4.529 51.784 35.177 1.00 51.84 N +ANISOU 3053 N SER C 152 5988 6795 6913 -123 1657 -1393 N +ATOM 3054 CA SER C 152 -3.329 51.587 35.981 1.00 51.97 C +ANISOU 3054 CA SER C 152 6229 6778 6741 -198 1608 -1361 C +ATOM 3055 C SER C 152 -2.680 52.931 36.289 1.00 55.27 C +ANISOU 3055 C SER C 152 6719 7049 7231 -68 1504 -1514 C +ATOM 3056 O SER C 152 -2.210 53.165 37.402 1.00 60.80 O +ANISOU 3056 O SER C 152 7547 7793 7761 -83 1530 -1628 O +ATOM 3057 CB SER C 152 -2.341 50.666 35.266 1.00 50.81 C +ANISOU 3057 CB SER C 152 6184 6536 6585 -306 1477 -1132 C +ATOM 3058 OG SER C 152 -2.762 49.315 35.344 1.00 48.11 O +ANISOU 3058 OG SER C 152 5828 6317 6136 -452 1571 -1007 O +ATOM 3059 N VAL C 153 -2.661 53.808 35.290 1.00 50.71 N +ANISOU 3059 N VAL C 153 6062 6297 6908 50 1378 -1512 N +ATOM 3060 CA VAL C 153 -2.170 55.170 35.459 1.00 46.69 C +ANISOU 3060 CA VAL C 153 5597 5609 6533 176 1268 -1654 C +ATOM 3061 C VAL C 153 -3.041 55.929 36.455 1.00 51.92 C +ANISOU 3061 C VAL C 153 6185 6354 7189 290 1400 -1942 C +ATOM 3062 O VAL C 153 -2.535 56.638 37.326 1.00 54.32 O +ANISOU 3062 O VAL C 153 6591 6609 7440 331 1379 -2120 O +ATOM 3063 CB VAL C 153 -2.139 55.927 34.113 1.00 46.86 C +ANISOU 3063 CB VAL C 153 5534 5430 6842 268 1109 -1556 C +ATOM 3064 CG1 VAL C 153 -1.947 57.420 34.333 1.00 51.25 C +ANISOU 3064 CG1 VAL C 153 6101 5782 7589 412 1011 -1724 C +ATOM 3065 CG2 VAL C 153 -1.042 55.371 33.220 1.00 48.24 C +ANISOU 3065 CG2 VAL C 153 5799 5525 7004 157 977 -1315 C +ATOM 3066 N LYS C 154 -4.354 55.764 36.320 1.00 55.52 N +ANISOU 3066 N LYS C 154 6449 6946 7701 339 1538 -2005 N +ATOM 3067 CA LYS C 154 -5.312 56.375 37.236 1.00 60.27 C +ANISOU 3067 CA LYS C 154 6936 7668 8296 449 1697 -2299 C +ATOM 3068 C LYS C 154 -5.082 55.898 38.664 1.00 59.89 C +ANISOU 3068 C LYS C 154 7018 7833 7905 339 1851 -2411 C +ATOM 3069 O LYS C 154 -5.116 56.691 39.606 1.00 62.03 O +ANISOU 3069 O LYS C 154 7313 8134 8123 422 1906 -2681 O +ATOM 3070 CB LYS C 154 -6.745 56.063 36.803 1.00 49.86 C +ANISOU 3070 CB LYS C 154 5365 6495 7083 491 1828 -2318 C +ATOM 3071 CG LYS C 154 -7.807 56.638 37.725 1.00 53.22 C +ANISOU 3071 CG LYS C 154 5632 7079 7512 607 2019 -2641 C +ATOM 3072 CD LYS C 154 -9.193 56.136 37.356 1.00 55.33 C +ANISOU 3072 CD LYS C 154 5633 7530 7858 613 2164 -2643 C +ATOM 3073 CE LYS C 154 -10.195 56.424 38.461 1.00 57.76 C +ANISOU 3073 CE LYS C 154 5783 8078 8086 676 2414 -2961 C +ATOM 3074 NZ LYS C 154 -10.227 57.868 38.819 1.00 68.73 N +ANISOU 3074 NZ LYS C 154 7132 9314 9670 908 2361 -3272 N +ATOM 3075 N TRP C 155 -4.863 54.594 38.814 1.00 58.30 N +ANISOU 3075 N TRP C 155 6900 7780 7472 149 1913 -2203 N +ATOM 3076 CA TRP C 155 -4.559 54.001 40.111 1.00 58.15 C +ANISOU 3076 CA TRP C 155 7030 7964 7099 15 2031 -2235 C +ATOM 3077 C TRP C 155 -3.338 54.668 40.732 1.00 58.44 C +ANISOU 3077 C TRP C 155 7270 7882 7052 40 1889 -2328 C +ATOM 3078 O TRP C 155 -3.314 54.951 41.929 1.00 63.10 O +ANISOU 3078 O TRP C 155 7935 8622 7419 33 1980 -2528 O +ATOM 3079 CB TRP C 155 -4.325 52.494 39.973 1.00 56.83 C +ANISOU 3079 CB TRP C 155 6943 7888 6762 -190 2051 -1940 C +ATOM 3080 CG TRP C 155 -3.958 51.819 41.263 1.00 58.57 C +ANISOU 3080 CG TRP C 155 7336 8303 6616 -341 2141 -1912 C +ATOM 3081 CD1 TRP C 155 -4.811 51.228 42.149 1.00 59.58 C +ANISOU 3081 CD1 TRP C 155 7422 8714 6502 -453 2371 -1944 C +ATOM 3082 CD2 TRP C 155 -2.641 51.667 41.812 1.00 56.67 C +ANISOU 3082 CD2 TRP C 155 7331 7999 6201 -406 1993 -1833 C +ATOM 3083 NE1 TRP C 155 -4.110 50.719 43.215 1.00 61.36 N +ANISOU 3083 NE1 TRP C 155 7861 9058 6395 -587 2370 -1871 N +ATOM 3084 CE2 TRP C 155 -2.776 50.975 43.033 1.00 58.51 C +ANISOU 3084 CE2 TRP C 155 7671 8485 6077 -552 2130 -1808 C +ATOM 3085 CE3 TRP C 155 -1.364 52.049 41.391 1.00 51.17 C +ANISOU 3085 CE3 TRP C 155 6757 7068 5616 -363 1757 -1776 C +ATOM 3086 CZ2 TRP C 155 -1.682 50.657 43.835 1.00 56.25 C +ANISOU 3086 CZ2 TRP C 155 7613 8216 5544 -641 2016 -1724 C +ATOM 3087 CZ3 TRP C 155 -0.279 51.733 42.189 1.00 51.60 C +ANISOU 3087 CZ3 TRP C 155 7019 7141 5445 -449 1654 -1713 C +ATOM 3088 CH2 TRP C 155 -0.446 51.044 43.398 1.00 54.90 C +ANISOU 3088 CH2 TRP C 155 7545 7806 5510 -581 1772 -1686 C +ATOM 3089 N ALA C 156 -2.323 54.909 39.906 1.00 54.53 N +ANISOU 3089 N ALA C 156 6854 7135 6729 58 1667 -2187 N +ATOM 3090 CA ALA C 156 -1.107 55.574 40.355 1.00 51.68 C +ANISOU 3090 CA ALA C 156 6663 6633 6340 74 1507 -2263 C +ATOM 3091 C ALA C 156 -1.402 57.013 40.758 1.00 59.21 C +ANISOU 3091 C ALA C 156 7562 7496 7440 244 1503 -2589 C +ATOM 3092 O ALA C 156 -0.894 57.497 41.768 1.00 64.01 O +ANISOU 3092 O ALA C 156 8288 8135 7899 249 1485 -2786 O +ATOM 3093 CB ALA C 156 -0.043 55.531 39.268 1.00 45.21 C +ANISOU 3093 CB ALA C 156 5899 5575 5703 50 1291 -2039 C +ATOM 3094 N LEU C 157 -2.229 57.689 39.964 1.00 60.91 N +ANISOU 3094 N LEU C 157 7596 7593 7954 388 1507 -2652 N +ATOM 3095 CA LEU C 157 -2.644 59.057 40.260 1.00 59.24 C +ANISOU 3095 CA LEU C 157 7303 7260 7944 574 1498 -2969 C +ATOM 3096 C LEU C 157 -3.335 59.141 41.616 1.00 60.18 C +ANISOU 3096 C LEU C 157 7396 7646 7824 597 1713 -3284 C +ATOM 3097 O LEU C 157 -3.087 60.059 42.397 1.00 63.11 O +ANISOU 3097 O LEU C 157 7820 7968 8191 682 1690 -3578 O +ATOM 3098 CB LEU C 157 -3.582 59.585 39.170 1.00 59.04 C +ANISOU 3098 CB LEU C 157 7065 7094 8274 723 1472 -2950 C +ATOM 3099 CG LEU C 157 -2.998 59.911 37.794 1.00 60.67 C +ANISOU 3099 CG LEU C 157 7279 7013 8761 741 1245 -2696 C +ATOM 3100 CD1 LEU C 157 -4.027 60.631 36.939 1.00 62.47 C +ANISOU 3100 CD1 LEU C 157 7297 7111 9327 916 1209 -2729 C +ATOM 3101 CD2 LEU C 157 -1.741 60.751 37.925 1.00 62.58 C +ANISOU 3101 CD2 LEU C 157 7683 7005 9090 740 1053 -2731 C +ATOM 3102 N ASP C 158 -4.203 58.172 41.887 1.00 61.45 N +ANISOU 3102 N ASP C 158 7470 8097 7780 510 1926 -3226 N +ATOM 3103 CA ASP C 158 -4.991 58.161 43.114 1.00 69.12 C +ANISOU 3103 CA ASP C 158 8386 9376 8499 511 2171 -3504 C +ATOM 3104 C ASP C 158 -4.204 57.684 44.334 1.00 69.02 C +ANISOU 3104 C ASP C 158 8601 9561 8063 354 2205 -3521 C +ATOM 3105 O ASP C 158 -4.600 57.944 45.470 1.00 73.11 O +ANISOU 3105 O ASP C 158 9117 10317 8345 364 2372 -3804 O +ATOM 3106 CB ASP C 158 -6.231 57.284 42.930 1.00 73.82 C +ANISOU 3106 CB ASP C 158 8789 10218 9040 450 2393 -3414 C +ATOM 3107 CG ASP C 158 -7.149 57.794 41.839 1.00 76.20 C +ANISOU 3107 CG ASP C 158 8839 10370 9742 618 2365 -3437 C +ATOM 3108 OD1 ASP C 158 -7.073 58.997 41.511 1.00 78.33 O +ANISOU 3108 OD1 ASP C 158 9060 10389 10312 813 2229 -3613 O +ATOM 3109 OD2 ASP C 158 -7.943 56.991 41.305 1.00 77.63 O +ANISOU 3109 OD2 ASP C 158 8872 10675 9947 552 2465 -3274 O +ATOM 3110 N ASN C 159 -3.095 56.989 44.103 1.00 73.17 N +ANISOU 3110 N ASN C 159 9315 10001 8487 214 2043 -3227 N +ATOM 3111 CA ASN C 159 -2.344 56.401 45.208 1.00 79.98 C +ANISOU 3111 CA ASN C 159 10392 11053 8944 57 2046 -3188 C +ATOM 3112 C ASN C 159 -0.911 56.910 45.342 1.00 84.27 C +ANISOU 3112 C ASN C 159 11125 11388 9505 60 1791 -3197 C +ATOM 3113 O ASN C 159 -0.122 56.350 46.102 1.00 86.42 O +ANISOU 3113 O ASN C 159 11583 11782 9472 -72 1734 -3108 O +ATOM 3114 CB ASN C 159 -2.318 54.877 45.065 1.00 79.48 C +ANISOU 3114 CB ASN C 159 10386 11128 8683 -141 2096 -2820 C +ATOM 3115 CG ASN C 159 -3.696 54.257 45.184 1.00 80.11 C +ANISOU 3115 CG ASN C 159 10295 11467 8675 -195 2367 -2813 C +ATOM 3116 OD1 ASN C 159 -4.117 53.852 46.268 1.00 82.09 O +ANISOU 3116 OD1 ASN C 159 10582 12028 8581 -302 2557 -2881 O +ATOM 3117 ND2 ASN C 159 -4.406 54.172 44.064 1.00 76.06 N +ANISOU 3117 ND2 ASN C 159 9590 10842 8467 -133 2385 -2724 N +ATOM 3118 N VAL C 160 -0.574 57.970 44.614 1.00 85.23 N +ANISOU 3118 N VAL C 160 11197 11197 9989 202 1627 -3293 N +ATOM 3119 CA VAL C 160 0.798 58.472 44.616 1.00 81.39 C +ANISOU 3119 CA VAL C 160 10865 10492 9569 190 1379 -3285 C +ATOM 3120 C VAL C 160 1.124 59.240 45.900 1.00 82.40 C +ANISOU 3120 C VAL C 160 11097 10708 9502 219 1369 -3638 C +ATOM 3121 O VAL C 160 2.240 59.156 46.408 1.00 85.40 O +ANISOU 3121 O VAL C 160 11647 11079 9722 131 1213 -3609 O +ATOM 3122 CB VAL C 160 1.080 59.367 43.381 1.00 62.71 C +ANISOU 3122 CB VAL C 160 8414 7752 7660 306 1203 -3242 C +ATOM 3123 CG1 VAL C 160 0.139 60.565 43.339 1.00 65.79 C +ANISOU 3123 CG1 VAL C 160 8650 8036 8311 501 1266 -3555 C +ATOM 3124 CG2 VAL C 160 2.540 59.806 43.353 1.00 61.70 C +ANISOU 3124 CG2 VAL C 160 8431 7410 7604 261 956 -3206 C +ATOM 3125 N LYS C 161 0.149 59.966 46.440 1.00 81.42 N +ANISOU 3125 N LYS C 161 10862 10686 9387 343 1532 -3988 N +ATOM 3126 CA LYS C 161 0.411 60.846 47.575 1.00 81.42 C +ANISOU 3126 CA LYS C 161 10943 10747 9245 395 1517 -4385 C +ATOM 3127 C LYS C 161 0.480 60.081 48.892 1.00 85.20 C +ANISOU 3127 C LYS C 161 11561 11632 9178 245 1643 -4425 C +ATOM 3128 O LYS C 161 0.948 60.610 49.899 1.00 87.73 O +ANISOU 3128 O LYS C 161 11997 12028 9310 245 1575 -4644 O +ATOM 3129 CB LYS C 161 -0.654 61.941 47.669 1.00 79.09 C +ANISOU 3129 CB LYS C 161 10468 10393 9189 596 1618 -4700 C +ATOM 3130 CG LYS C 161 -0.578 62.986 46.569 1.00 76.96 C +ANISOU 3130 CG LYS C 161 10096 9690 9456 755 1441 -4716 C +ATOM 3131 CD LYS C 161 -1.815 63.866 46.562 1.00 84.32 C +ANISOU 3131 CD LYS C 161 10827 10582 10630 946 1534 -4904 C +ATOM 3132 CE LYS C 161 -1.632 65.063 45.649 1.00 88.97 C +ANISOU 3132 CE LYS C 161 11350 10726 11729 1095 1319 -4918 C +ATOM 3133 NZ LYS C 161 -0.262 65.635 45.767 1.00 92.77 N +ANISOU 3133 NZ LYS C 161 12011 10965 12274 1037 1077 -4929 N +ATOM 3134 N GLU C 162 0.006 58.840 48.888 1.00 88.17 N +ANISOU 3134 N GLU C 162 11931 12251 9319 112 1797 -4140 N +ATOM 3135 CA GLU C 162 0.134 57.983 50.061 1.00 96.04 C +ANISOU 3135 CA GLU C 162 13081 13621 9790 -62 1895 -4083 C +ATOM 3136 C GLU C 162 1.401 57.131 49.977 1.00 98.81 C +ANISOU 3136 C GLU C 162 13628 13899 10016 -213 1666 -3721 C +ATOM 3137 O GLU C 162 1.935 56.692 50.996 1.00 99.03 O +ANISOU 3137 O GLU C 162 13832 14152 9642 -339 1629 -3695 O +ATOM 3138 CB GLU C 162 -1.102 57.091 50.224 1.00101.42 C +ANISOU 3138 CB GLU C 162 13649 14615 10271 -144 2194 -3974 C +ATOM 3139 CG GLU C 162 -1.147 56.357 51.557 1.00112.90 C +ANISOU 3139 CG GLU C 162 15246 16460 11192 -313 2303 -3900 C +ATOM 3140 CD GLU C 162 -2.511 55.778 51.873 1.00123.20 C +ANISOU 3140 CD GLU C 162 16399 18044 12367 -363 2587 -3819 C +ATOM 3141 OE1 GLU C 162 -3.445 55.965 51.065 1.00126.34 O +ANISOU 3141 OE1 GLU C 162 16572 18349 13084 -261 2703 -3854 O +ATOM 3142 OE2 GLU C 162 -2.648 55.132 52.934 1.00128.12 O +ANISOU 3142 OE2 GLU C 162 17125 18977 12576 -509 2682 -3709 O +ATOM 3143 N LYS C 163 1.884 56.910 48.757 1.00 99.24 N +ANISOU 3143 N LYS C 163 13644 13649 10413 -197 1508 -3448 N +ATOM 3144 CA LYS C 163 3.062 56.076 48.544 1.00 98.43 C +ANISOU 3144 CA LYS C 163 13689 13458 10252 -321 1296 -3112 C +ATOM 3145 C LYS C 163 4.287 56.890 48.128 1.00104.69 C +ANISOU 3145 C LYS C 163 14529 13940 11309 -260 1018 -3169 C +ATOM 3146 O LYS C 163 5.402 56.371 48.101 1.00108.56 O +ANISOU 3146 O LYS C 163 15134 14365 11748 -349 821 -2959 O +ATOM 3147 CB LYS C 163 2.763 55.007 47.491 1.00 93.13 C +ANISOU 3147 CB LYS C 163 12939 12715 9732 -380 1335 -2739 C +ATOM 3148 CG LYS C 163 1.725 53.983 47.927 1.00 95.42 C +ANISOU 3148 CG LYS C 163 13202 13304 9749 -491 1580 -2612 C +ATOM 3149 CD LYS C 163 2.345 52.910 48.808 1.00 98.90 C +ANISOU 3149 CD LYS C 163 13843 13935 9799 -671 1521 -2382 C +ATOM 3150 CE LYS C 163 1.464 51.674 48.884 1.00 98.04 C +ANISOU 3150 CE LYS C 163 13705 14028 9517 -813 1719 -2129 C +ATOM 3151 NZ LYS C 163 2.128 50.558 49.612 1.00 97.54 N +ANISOU 3151 NZ LYS C 163 13845 14091 9126 -990 1622 -1841 N +ATOM 3152 N GLY C 164 4.071 58.165 47.814 1.00110.66 N +ANISOU 3152 N GLY C 164 15185 14498 12361 -112 999 -3451 N +ATOM 3153 CA GLY C 164 5.148 59.093 47.507 1.00110.95 C +ANISOU 3153 CA GLY C 164 15258 14238 12660 -65 751 -3545 C +ATOM 3154 C GLY C 164 6.143 58.650 46.448 1.00105.35 C +ANISOU 3154 C GLY C 164 14555 13296 12176 -125 559 -3206 C +ATOM 3155 O GLY C 164 7.329 58.968 46.535 1.00111.36 O +ANISOU 3155 O GLY C 164 15394 13922 12994 -164 341 -3211 O +ATOM 3156 N GLY C 165 5.668 57.914 45.448 1.00 89.46 N +ANISOU 3156 N GLY C 165 12446 11251 10292 -136 641 -2929 N +ATOM 3157 CA GLY C 165 6.536 57.434 44.387 1.00 77.69 C +ANISOU 3157 CA GLY C 165 10943 9572 9002 -190 488 -2625 C +ATOM 3158 C GLY C 165 6.126 56.070 43.869 1.00 70.93 C +ANISOU 3158 C GLY C 165 10057 8831 8062 -264 590 -2317 C +ATOM 3159 O GLY C 165 6.062 55.104 44.629 1.00 74.12 O +ANISOU 3159 O GLY C 165 10553 9456 8154 -358 647 -2220 O +ATOM 3160 N LEU C 166 5.853 55.989 42.571 1.00 61.40 N +ANISOU 3160 N LEU C 166 8724 7472 7134 -229 604 -2157 N +ATOM 3161 CA LEU C 166 5.375 54.749 41.969 1.00 57.61 C +ANISOU 3161 CA LEU C 166 8195 7079 6616 -293 700 -1897 C +ATOM 3162 C LEU C 166 5.941 54.519 40.572 1.00 55.49 C +ANISOU 3162 C LEU C 166 7853 6617 6615 -301 591 -1681 C +ATOM 3163 O LEU C 166 5.951 55.426 39.739 1.00 52.32 O +ANISOU 3163 O LEU C 166 7364 6034 6482 -226 540 -1723 O +ATOM 3164 CB LEU C 166 3.845 54.744 41.902 1.00 60.75 C +ANISOU 3164 CB LEU C 166 8471 7602 7010 -239 925 -1975 C +ATOM 3165 CG LEU C 166 3.078 54.609 43.218 1.00 64.35 C +ANISOU 3165 CG LEU C 166 8971 8330 7148 -264 1101 -2144 C +ATOM 3166 CD1 LEU C 166 1.583 54.749 42.981 1.00 64.32 C +ANISOU 3166 CD1 LEU C 166 8796 8426 7217 -195 1319 -2242 C +ATOM 3167 CD2 LEU C 166 3.398 53.284 43.888 1.00 63.63 C +ANISOU 3167 CD2 LEU C 166 9011 8424 6741 -421 1113 -1934 C +ATOM 3168 N LEU C 167 6.410 53.301 40.323 1.00 56.01 N +ANISOU 3168 N LEU C 167 7953 6724 6603 -394 554 -1449 N +ATOM 3169 CA LEU C 167 6.754 52.879 38.971 1.00 50.94 C +ANISOU 3169 CA LEU C 167 7224 5955 6177 -407 497 -1256 C +ATOM 3170 C LEU C 167 5.668 51.949 38.450 1.00 50.35 C +ANISOU 3170 C LEU C 167 7065 5979 6086 -430 650 -1134 C +ATOM 3171 O LEU C 167 5.474 50.854 38.977 1.00 51.70 O +ANISOU 3171 O LEU C 167 7294 6277 6072 -511 706 -1033 O +ATOM 3172 CB LEU C 167 8.114 52.177 38.943 1.00 52.51 C +ANISOU 3172 CB LEU C 167 7492 6106 6353 -480 333 -1113 C +ATOM 3173 CG LEU C 167 9.356 53.033 39.196 1.00 53.73 C +ANISOU 3173 CG LEU C 167 7693 6141 6581 -474 154 -1205 C +ATOM 3174 CD1 LEU C 167 10.605 52.173 39.207 1.00 52.49 C +ANISOU 3174 CD1 LEU C 167 7577 5967 6399 -541 2 -1061 C +ATOM 3175 CD2 LEU C 167 9.474 54.108 38.137 1.00 55.51 C +ANISOU 3175 CD2 LEU C 167 7812 6188 7091 -423 118 -1239 C +ATOM 3176 N VAL C 168 4.963 52.386 37.412 1.00 52.21 N +ANISOU 3176 N VAL C 168 7164 6150 6523 -367 703 -1135 N +ATOM 3177 CA VAL C 168 3.915 51.567 36.816 1.00 53.62 C +ANISOU 3177 CA VAL C 168 7242 6418 6715 -389 831 -1036 C +ATOM 3178 C VAL C 168 4.314 51.089 35.427 1.00 55.80 C +ANISOU 3178 C VAL C 168 7444 6600 7158 -412 756 -869 C +ATOM 3179 O VAL C 168 4.503 51.890 34.511 1.00 51.82 O +ANISOU 3179 O VAL C 168 6870 5981 6840 -356 688 -870 O +ATOM 3180 CB VAL C 168 2.580 52.330 36.727 1.00 50.42 C +ANISOU 3180 CB VAL C 168 6712 6056 6390 -295 961 -1178 C +ATOM 3181 CG1 VAL C 168 1.573 51.544 35.902 1.00 49.56 C +ANISOU 3181 CG1 VAL C 168 6470 6022 6339 -320 1061 -1069 C +ATOM 3182 CG2 VAL C 168 2.033 52.598 38.119 1.00 51.42 C +ANISOU 3182 CG2 VAL C 168 6890 6331 6316 -283 1081 -1362 C +ATOM 3183 N GLY C 169 4.442 49.776 35.280 1.00 55.88 N +ANISOU 3183 N GLY C 169 7471 6662 7099 -500 767 -728 N +ATOM 3184 CA GLY C 169 4.713 49.184 33.987 1.00 48.65 C +ANISOU 3184 CA GLY C 169 6475 5690 6318 -525 718 -603 C +ATOM 3185 C GLY C 169 3.444 49.016 33.178 1.00 48.46 C +ANISOU 3185 C GLY C 169 6312 5728 6371 -511 824 -591 C +ATOM 3186 O GLY C 169 2.555 48.253 33.556 1.00 50.51 O +ANISOU 3186 O GLY C 169 6551 6093 6548 -560 937 -576 O +ATOM 3187 N LEU C 170 3.359 49.732 32.063 1.00 49.58 N +ANISOU 3187 N LEU C 170 6357 5811 6672 -452 779 -586 N +ATOM 3188 CA LEU C 170 2.190 49.661 31.196 1.00 45.55 C +ANISOU 3188 CA LEU C 170 5703 5361 6244 -429 846 -573 C +ATOM 3189 C LEU C 170 2.229 48.404 30.333 1.00 43.93 C +ANISOU 3189 C LEU C 170 5451 5195 6045 -512 841 -468 C +ATOM 3190 O LEU C 170 3.282 47.784 30.182 1.00 43.61 O +ANISOU 3190 O LEU C 170 5474 5108 5988 -564 769 -408 O +ATOM 3191 CB LEU C 170 2.106 50.907 30.311 1.00 40.98 C +ANISOU 3191 CB LEU C 170 5047 4700 5822 -338 774 -581 C +ATOM 3192 CG LEU C 170 1.849 52.242 31.011 1.00 43.31 C +ANISOU 3192 CG LEU C 170 5358 4924 6175 -235 772 -711 C +ATOM 3193 CD1 LEU C 170 1.897 53.388 30.010 1.00 43.26 C +ANISOU 3193 CD1 LEU C 170 5287 4794 6354 -161 667 -671 C +ATOM 3194 CD2 LEU C 170 0.517 52.221 31.742 1.00 47.00 C +ANISOU 3194 CD2 LEU C 170 5755 5503 6599 -189 914 -832 C +ATOM 3195 N PRO C 171 1.075 48.019 29.765 1.00 39.58 N +ANISOU 3195 N PRO C 171 4776 4731 5533 -521 911 -463 N +ATOM 3196 CA PRO C 171 1.042 46.963 28.747 1.00 39.01 C +ANISOU 3196 CA PRO C 171 4639 4690 5494 -591 891 -395 C +ATOM 3197 C PRO C 171 1.856 47.326 27.501 1.00 45.31 C +ANISOU 3197 C PRO C 171 5409 5446 6361 -572 780 -348 C +ATOM 3198 O PRO C 171 2.305 48.465 27.367 1.00 53.10 O +ANISOU 3198 O PRO C 171 6414 6372 7390 -509 719 -345 O +ATOM 3199 CB PRO C 171 -0.447 46.844 28.417 1.00 36.87 C +ANISOU 3199 CB PRO C 171 4221 4524 5264 -587 975 -426 C +ATOM 3200 CG PRO C 171 -1.138 47.302 29.653 1.00 37.93 C +ANISOU 3200 CG PRO C 171 4368 4701 5343 -555 1084 -504 C +ATOM 3201 CD PRO C 171 -0.280 48.402 30.202 1.00 39.83 C +ANISOU 3201 CD PRO C 171 4715 4848 5570 -476 1024 -545 C +ATOM 3202 N ARG C 172 2.029 46.360 26.604 1.00 48.74 N +ANISOU 3202 N ARG C 172 5796 5916 6807 -634 757 -317 N +ATOM 3203 CA ARG C 172 2.961 46.481 25.481 1.00 48.06 C +ANISOU 3203 CA ARG C 172 5689 5825 6747 -641 672 -282 C +ATOM 3204 C ARG C 172 2.690 47.659 24.537 1.00 45.99 C +ANISOU 3204 C ARG C 172 5354 5594 6527 -587 622 -240 C +ATOM 3205 O ARG C 172 1.564 47.871 24.084 1.00 44.35 O +ANISOU 3205 O ARG C 172 5051 5455 6346 -559 636 -239 O +ATOM 3206 CB ARG C 172 2.970 45.170 24.688 1.00 43.86 C +ANISOU 3206 CB ARG C 172 5100 5349 6217 -713 672 -298 C +ATOM 3207 CG ARG C 172 1.627 44.771 24.100 1.00 46.98 C +ANISOU 3207 CG ARG C 172 5377 5845 6629 -734 711 -321 C +ATOM 3208 CD ARG C 172 1.692 43.378 23.504 1.00 53.22 C +ANISOU 3208 CD ARG C 172 6127 6660 7434 -814 707 -368 C +ATOM 3209 NE ARG C 172 1.769 42.358 24.546 1.00 53.52 N +ANISOU 3209 NE ARG C 172 6243 6606 7488 -868 747 -372 N +ATOM 3210 CZ ARG C 172 2.675 41.387 24.576 1.00 49.47 C +ANISOU 3210 CZ ARG C 172 5781 6009 7006 -904 707 -390 C +ATOM 3211 NH1 ARG C 172 3.587 41.301 23.617 1.00 51.69 N +ANISOU 3211 NH1 ARG C 172 6029 6309 7303 -890 648 -436 N +ATOM 3212 NH2 ARG C 172 2.670 40.504 25.564 1.00 44.28 N +ANISOU 3212 NH2 ARG C 172 5203 5253 6368 -956 725 -360 N +ATOM 3213 N TYR C 173 3.757 48.411 24.264 1.00 43.66 N +ANISOU 3213 N TYR C 173 5102 5242 6246 -580 555 -195 N +ATOM 3214 CA TYR C 173 3.782 49.542 23.328 1.00 47.54 C +ANISOU 3214 CA TYR C 173 5548 5738 6778 -553 488 -112 C +ATOM 3215 C TYR C 173 2.522 50.405 23.332 1.00 43.22 C +ANISOU 3215 C TYR C 173 4942 5181 6297 -469 480 -101 C +ATOM 3216 O TYR C 173 1.872 50.587 22.302 1.00 46.22 O +ANISOU 3216 O TYR C 173 5231 5645 6687 -460 439 -40 O +ATOM 3217 CB TYR C 173 4.099 49.081 21.895 1.00 50.20 C +ANISOU 3217 CB TYR C 173 5810 6202 7061 -618 460 -62 C +ATOM 3218 CG TYR C 173 3.457 47.801 21.405 1.00 45.42 C +ANISOU 3218 CG TYR C 173 5133 5718 6408 -659 500 -126 C +ATOM 3219 CD1 TYR C 173 4.141 46.593 21.471 1.00 44.61 C +ANISOU 3219 CD1 TYR C 173 5046 5625 6279 -715 529 -200 C +ATOM 3220 CD2 TYR C 173 2.195 47.808 20.826 1.00 42.53 C +ANISOU 3220 CD2 TYR C 173 4671 5446 6043 -640 493 -119 C +ATOM 3221 CE1 TYR C 173 3.574 45.423 21.004 1.00 44.42 C +ANISOU 3221 CE1 TYR C 173 4956 5683 6238 -758 554 -273 C +ATOM 3222 CE2 TYR C 173 1.619 46.642 20.356 1.00 44.83 C +ANISOU 3222 CE2 TYR C 173 4890 5842 6303 -691 519 -191 C +ATOM 3223 CZ TYR C 173 2.313 45.452 20.448 1.00 47.18 C +ANISOU 3223 CZ TYR C 173 5216 6130 6582 -754 552 -271 C +ATOM 3224 OH TYR C 173 1.746 44.288 19.982 1.00 50.01 O +ANISOU 3224 OH TYR C 173 5502 6563 6937 -809 568 -358 O +ATOM 3225 N MET C 174 2.186 50.930 24.505 1.00 38.43 N +ANISOU 3225 N MET C 174 4383 4484 5736 -403 514 -171 N +ATOM 3226 CA MET C 174 1.128 51.921 24.620 1.00 41.90 C +ANISOU 3226 CA MET C 174 4760 4885 6275 -298 501 -190 C +ATOM 3227 C MET C 174 1.639 53.120 25.406 1.00 47.63 C +ANISOU 3227 C MET C 174 5571 5444 7082 -234 461 -225 C +ATOM 3228 O MET C 174 2.515 52.989 26.261 1.00 48.77 O +ANISOU 3228 O MET C 174 5820 5533 7176 -269 478 -278 O +ATOM 3229 CB MET C 174 -0.115 51.337 25.295 1.00 38.20 C +ANISOU 3229 CB MET C 174 4223 4500 5793 -269 608 -295 C +ATOM 3230 CG MET C 174 0.074 50.982 26.760 1.00 30.69 C +ANISOU 3230 CG MET C 174 3365 3527 4769 -284 706 -400 C +ATOM 3231 SD MET C 174 -1.499 50.807 27.624 1.00 60.78 S +ANISOU 3231 SD MET C 174 7073 7437 8582 -237 846 -525 S +ATOM 3232 CE MET C 174 -2.068 52.506 27.622 1.00 33.66 C +ANISOU 3232 CE MET C 174 3570 3899 5320 -67 787 -591 C +ATOM 3233 N GLU C 175 1.090 54.290 25.106 1.00 49.57 N +ANISOU 3233 N GLU C 175 5767 5600 7467 -139 390 -200 N +ATOM 3234 CA GLU C 175 1.463 55.511 25.803 1.00 48.30 C +ANISOU 3234 CA GLU C 175 5676 5252 7425 -70 338 -255 C +ATOM 3235 C GLU C 175 0.242 56.126 26.468 1.00 54.98 C +ANISOU 3235 C GLU C 175 6450 6059 8381 72 375 -395 C +ATOM 3236 O GLU C 175 -0.893 55.826 26.099 1.00 49.24 O +ANISOU 3236 O GLU C 175 5598 5438 7674 119 409 -402 O +ATOM 3237 CB GLU C 175 2.099 56.511 24.839 1.00 48.85 C +ANISOU 3237 CB GLU C 175 5760 5195 7607 -86 197 -90 C +ATOM 3238 CG GLU C 175 1.133 57.049 23.797 1.00 58.43 C +ANISOU 3238 CG GLU C 175 6864 6411 8924 -16 113 27 C +ATOM 3239 CD GLU C 175 1.770 58.079 22.888 1.00 67.01 C +ANISOU 3239 CD GLU C 175 7981 7364 10114 -49 -33 226 C +ATOM 3240 OE1 GLU C 175 2.783 58.688 23.292 1.00 71.52 O +ANISOU 3240 OE1 GLU C 175 8647 7783 10744 -93 -69 229 O +ATOM 3241 OE2 GLU C 175 1.257 58.279 21.766 1.00 68.30 O +ANISOU 3241 OE2 GLU C 175 8073 7581 10297 -43 -118 388 O +ATOM 3242 N VAL C 176 0.474 56.987 27.451 1.00 59.38 N +ANISOU 3242 N VAL C 176 7074 6473 9016 139 368 -529 N +ATOM 3243 CA VAL C 176 -0.616 57.741 28.046 1.00 56.66 C +ANISOU 3243 CA VAL C 176 6649 6074 8806 292 398 -692 C +ATOM 3244 C VAL C 176 -0.350 59.238 27.991 1.00 57.85 C +ANISOU 3244 C VAL C 176 6827 5965 9189 388 258 -704 C +ATOM 3245 O VAL C 176 0.798 59.684 27.980 1.00 59.44 O +ANISOU 3245 O VAL C 176 7141 6029 9414 319 173 -643 O +ATOM 3246 CB VAL C 176 -0.872 57.323 29.511 1.00 57.14 C +ANISOU 3246 CB VAL C 176 6744 6231 8734 303 554 -916 C +ATOM 3247 CG1 VAL C 176 -1.324 55.871 29.580 1.00 52.58 C +ANISOU 3247 CG1 VAL C 176 6127 5887 7963 207 689 -890 C +ATOM 3248 CG2 VAL C 176 0.368 57.555 30.363 1.00 61.19 C +ANISOU 3248 CG2 VAL C 176 7423 6652 9173 245 527 -981 C +ATOM 3249 N GLU C 177 -1.430 60.006 27.948 1.00 61.84 N +ANISOU 3249 N GLU C 177 7215 6394 9888 546 228 -784 N +ATOM 3250 CA GLU C 177 -1.359 61.455 28.027 1.00 66.56 C +ANISOU 3250 CA GLU C 177 7826 6711 10752 665 94 -832 C +ATOM 3251 C GLU C 177 -2.279 61.896 29.152 1.00 69.53 C +ANISOU 3251 C GLU C 177 8127 7074 11219 828 188 -1142 C +ATOM 3252 O GLU C 177 -3.377 61.361 29.305 1.00 68.69 O +ANISOU 3252 O GLU C 177 7883 7151 11066 890 306 -1235 O +ATOM 3253 CB GLU C 177 -1.770 62.106 26.705 1.00 72.69 C +ANISOU 3253 CB GLU C 177 8520 7369 11729 721 -78 -606 C +ATOM 3254 CG GLU C 177 -0.763 61.944 25.578 1.00 78.43 C +ANISOU 3254 CG GLU C 177 9328 8091 12380 558 -181 -305 C +ATOM 3255 CD GLU C 177 -1.338 62.325 24.225 1.00 86.08 C +ANISOU 3255 CD GLU C 177 10207 9034 13464 594 -331 -61 C +ATOM 3256 OE1 GLU C 177 -2.254 63.174 24.184 1.00 90.51 O +ANISOU 3256 OE1 GLU C 177 10674 9450 14267 764 -425 -100 O +ATOM 3257 OE2 GLU C 177 -0.876 61.775 23.204 1.00 87.30 O +ANISOU 3257 OE2 GLU C 177 10381 9323 13465 455 -361 165 O +ATOM 3258 N ILE C 178 -1.840 62.868 29.941 1.00 68.12 N +ANISOU 3258 N ILE C 178 8025 6687 11169 893 142 -1319 N +ATOM 3259 CA ILE C 178 -2.667 63.343 31.040 1.00 66.02 C +ANISOU 3259 CA ILE C 178 7685 6419 10981 1053 240 -1655 C +ATOM 3260 C ILE C 178 -3.117 64.778 30.806 1.00 67.39 C +ANISOU 3260 C ILE C 178 7785 6282 11539 1245 82 -1732 C +ATOM 3261 O ILE C 178 -2.307 65.706 30.794 1.00 69.98 O +ANISOU 3261 O ILE C 178 8220 6330 12039 1240 -67 -1714 O +ATOM 3262 CB ILE C 178 -1.923 63.252 32.387 1.00 63.62 C +ANISOU 3262 CB ILE C 178 7522 6159 10493 991 336 -1884 C +ATOM 3263 CG1 ILE C 178 -1.583 61.796 32.712 1.00 61.87 C +ANISOU 3263 CG1 ILE C 178 7366 6236 9906 818 485 -1808 C +ATOM 3264 CG2 ILE C 178 -2.761 63.858 33.500 1.00 64.28 C +ANISOU 3264 CG2 ILE C 178 7526 6247 10652 1161 439 -2259 C +ATOM 3265 CD1 ILE C 178 -0.679 61.632 33.915 1.00 64.48 C +ANISOU 3265 CD1 ILE C 178 7858 6614 10028 733 536 -1964 C +ATOM 3266 N LYS C 179 -4.421 64.945 30.618 1.00 70.70 N +ANISOU 3266 N LYS C 179 8010 6742 12112 1412 107 -1816 N +ATOM 3267 CA LYS C 179 -5.007 66.264 30.449 1.00 76.31 C +ANISOU 3267 CA LYS C 179 8622 7155 13219 1629 -46 -1915 C +ATOM 3268 C LYS C 179 -5.539 66.741 31.791 1.00 79.48 C +ANISOU 3268 C LYS C 179 8959 7555 13684 1786 87 -2358 C +ATOM 3269 O LYS C 179 -5.291 66.114 32.821 1.00 79.44 O +ANISOU 3269 O LYS C 179 9021 7771 13390 1699 278 -2549 O +ATOM 3270 CB LYS C 179 -6.119 66.234 29.399 1.00 79.49 C +ANISOU 3270 CB LYS C 179 8828 7591 13784 1739 -127 -1750 C +ATOM 3271 CG LYS C 179 -5.661 65.689 28.055 1.00 80.04 C +ANISOU 3271 CG LYS C 179 8953 7717 13741 1577 -244 -1332 C +ATOM 3272 CD LYS C 179 -4.491 66.488 27.505 1.00 84.30 C +ANISOU 3272 CD LYS C 179 9666 7961 14403 1491 -445 -1106 C +ATOM 3273 CE LYS C 179 -4.187 66.117 26.062 1.00 84.41 C +ANISOU 3273 CE LYS C 179 9704 8036 14331 1354 -571 -696 C +ATOM 3274 NZ LYS C 179 -5.323 66.391 25.144 1.00 88.93 N +ANISOU 3274 NZ LYS C 179 10104 8596 15090 1497 -705 -561 N +ATOM 3275 N LYS C 180 -6.271 67.849 31.777 1.00 81.15 N +ANISOU 3275 N LYS C 180 9039 7523 14270 2019 -20 -2523 N +ATOM 3276 CA LYS C 180 -6.792 68.437 33.005 1.00 81.26 C +ANISOU 3276 CA LYS C 180 8994 7564 14317 2154 94 -2934 C +ATOM 3277 C LYS C 180 -7.808 67.535 33.705 1.00 82.43 C +ANISOU 3277 C LYS C 180 8977 8107 14235 2183 374 -3161 C +ATOM 3278 O LYS C 180 -7.896 67.528 34.933 1.00 86.13 O +ANISOU 3278 O LYS C 180 9472 8749 14504 2173 546 -3456 O +ATOM 3279 CB LYS C 180 -7.431 69.797 32.715 1.00 84.00 C +ANISOU 3279 CB LYS C 180 9251 7651 15014 2330 -97 -2954 C +ATOM 3280 CG LYS C 180 -8.492 69.772 31.626 1.00 86.68 C +ANISOU 3280 CG LYS C 180 9388 7988 15558 2451 -196 -2761 C +ATOM 3281 CD LYS C 180 -9.098 71.150 31.413 1.00 92.15 C +ANISOU 3281 CD LYS C 180 10003 8412 16598 2625 -393 -2793 C +ATOM 3282 CE LYS C 180 -10.167 71.124 30.331 1.00 91.86 C +ANISOU 3282 CE LYS C 180 9765 8385 16753 2745 -513 -2594 C +ATOM 3283 NZ LYS C 180 -10.741 72.475 30.079 1.00 94.89 N +ANISOU 3283 NZ LYS C 180 10079 8487 17489 2915 -724 -2608 N +ATOM 3284 N ASP C 181 -8.571 66.777 32.925 1.00 79.39 N +ANISOU 3284 N ASP C 181 8422 7885 13857 2197 415 -3002 N +ATOM 3285 CA ASP C 181 -9.704 66.034 33.468 1.00 79.46 C +ANISOU 3285 CA ASP C 181 8232 8257 13701 2224 664 -3191 C +ATOM 3286 C ASP C 181 -9.769 64.574 33.026 1.00 77.09 C +ANISOU 3286 C ASP C 181 7927 8277 13086 2017 785 -2940 C +ATOM 3287 O ASP C 181 -10.659 63.836 33.450 1.00 80.09 O +ANISOU 3287 O ASP C 181 8144 8964 13321 2002 1001 -3067 O +ATOM 3288 CB ASP C 181 -11.007 66.736 33.082 1.00 86.39 C +ANISOU 3288 CB ASP C 181 8876 9094 14856 2419 578 -3235 C +ATOM 3289 CG ASP C 181 -11.169 66.874 31.580 1.00 94.25 C +ANISOU 3289 CG ASP C 181 9794 9904 16111 2475 332 -2899 C +ATOM 3290 OD1 ASP C 181 -10.141 66.872 30.869 1.00 92.73 O +ANISOU 3290 OD1 ASP C 181 9773 9518 15944 2381 172 -2632 O +ATOM 3291 OD2 ASP C 181 -12.320 66.985 31.109 1.00102.56 O +ANISOU 3291 OD2 ASP C 181 10624 11024 17321 2597 290 -2884 O +ATOM 3292 N LYS C 182 -8.840 64.154 32.175 1.00 73.55 N +ANISOU 3292 N LYS C 182 7653 7763 12531 1845 648 -2584 N +ATOM 3293 CA LYS C 182 -8.899 62.805 31.623 1.00 68.71 C +ANISOU 3293 CA LYS C 182 7035 7418 11653 1655 728 -2339 C +ATOM 3294 C LYS C 182 -7.530 62.203 31.331 1.00 63.22 C +ANISOU 3294 C LYS C 182 6591 6707 10721 1430 673 -2083 C +ATOM 3295 O LYS C 182 -6.546 62.920 31.151 1.00 60.68 O +ANISOU 3295 O LYS C 182 6428 6135 10492 1420 515 -2003 O +ATOM 3296 CB LYS C 182 -9.736 62.808 30.343 1.00 57.23 C +ANISOU 3296 CB LYS C 182 5393 5950 10400 1732 586 -2136 C +ATOM 3297 CG LYS C 182 -9.155 63.671 29.236 1.00 59.28 C +ANISOU 3297 CG LYS C 182 5739 5896 10888 1775 292 -1875 C +ATOM 3298 CD LYS C 182 -10.049 63.676 28.010 1.00 67.71 C +ANISOU 3298 CD LYS C 182 6618 6980 12128 1855 140 -1678 C +ATOM 3299 CE LYS C 182 -9.568 64.685 26.980 1.00 75.17 C +ANISOU 3299 CE LYS C 182 7642 7603 13315 1913 -160 -1417 C +ATOM 3300 NZ LYS C 182 -10.280 64.537 25.681 1.00 79.18 N +ANISOU 3300 NZ LYS C 182 8005 8170 13908 1945 -328 -1163 N +ATOM 3301 N ILE C 183 -7.480 60.875 31.287 1.00 60.32 N +ANISOU 3301 N ILE C 183 6248 6604 10066 1250 804 -1962 N +ATOM 3302 CA ILE C 183 -6.293 60.159 30.836 1.00 57.02 C +ANISOU 3302 CA ILE C 183 6025 6192 9447 1048 747 -1710 C +ATOM 3303 C ILE C 183 -6.543 59.572 29.452 1.00 56.55 C +ANISOU 3303 C ILE C 183 5889 6193 9403 986 650 -1433 C +ATOM 3304 O ILE C 183 -7.551 58.902 29.225 1.00 58.95 O +ANISOU 3304 O ILE C 183 6025 6691 9682 985 736 -1441 O +ATOM 3305 CB ILE C 183 -5.899 59.031 31.807 1.00 56.09 C +ANISOU 3305 CB ILE C 183 6017 6301 8994 881 941 -1768 C +ATOM 3306 CG1 ILE C 183 -5.808 59.565 33.236 1.00 55.40 C +ANISOU 3306 CG1 ILE C 183 5989 6215 8846 941 1053 -2067 C +ATOM 3307 CG2 ILE C 183 -4.574 58.408 31.394 1.00 54.16 C +ANISOU 3307 CG2 ILE C 183 5967 6025 8588 703 861 -1538 C +ATOM 3308 CD1 ILE C 183 -5.601 58.489 34.272 1.00 49.51 C +ANISOU 3308 CD1 ILE C 183 5336 5718 7756 785 1246 -2121 C +ATOM 3309 N ILE C 184 -5.622 59.826 28.529 1.00 54.11 N +ANISOU 3309 N ILE C 184 5696 5734 9128 922 473 -1197 N +ATOM 3310 CA ILE C 184 -5.742 59.315 27.168 1.00 51.67 C +ANISOU 3310 CA ILE C 184 5335 5498 8801 852 371 -938 C +ATOM 3311 C ILE C 184 -4.675 58.270 26.870 1.00 51.49 C +ANISOU 3311 C ILE C 184 5459 5580 8526 642 401 -780 C +ATOM 3312 O ILE C 184 -3.482 58.539 26.984 1.00 49.41 O +ANISOU 3312 O ILE C 184 5359 5194 8222 572 348 -721 O +ATOM 3313 CB ILE C 184 -5.638 60.446 26.130 1.00 50.76 C +ANISOU 3313 CB ILE C 184 5208 5154 8924 942 134 -759 C +ATOM 3314 CG1 ILE C 184 -6.786 61.439 26.309 1.00 51.60 C +ANISOU 3314 CG1 ILE C 184 5141 5140 9325 1174 76 -908 C +ATOM 3315 CG2 ILE C 184 -5.638 59.876 24.719 1.00 44.86 C +ANISOU 3315 CG2 ILE C 184 4429 4521 8094 844 30 -486 C +ATOM 3316 CD1 ILE C 184 -6.753 62.592 25.331 1.00 54.04 C +ANISOU 3316 CD1 ILE C 184 5442 5192 9899 1273 -182 -712 C +ATOM 3317 N GLY C 185 -5.114 57.077 26.482 1.00 49.52 N +ANISOU 3317 N GLY C 185 5137 5549 8129 546 480 -725 N +ATOM 3318 CA GLY C 185 -4.200 56.001 26.150 1.00 44.88 C +ANISOU 3318 CA GLY C 185 4664 5059 7331 365 506 -600 C +ATOM 3319 C GLY C 185 -4.194 55.709 24.663 1.00 50.14 C +ANISOU 3319 C GLY C 185 5280 5785 7986 308 384 -393 C +ATOM 3320 O GLY C 185 -5.245 55.658 24.030 1.00 57.47 O +ANISOU 3320 O GLY C 185 6049 6800 8987 364 344 -371 O +ATOM 3321 N LYS C 186 -3.002 55.522 24.107 1.00 50.73 N +ANISOU 3321 N LYS C 186 5481 5831 7963 195 323 -251 N +ATOM 3322 CA LYS C 186 -2.843 55.273 22.679 1.00 50.44 C +ANISOU 3322 CA LYS C 186 5413 5877 7875 124 215 -62 C +ATOM 3323 C LYS C 186 -1.872 54.132 22.423 1.00 52.47 C +ANISOU 3323 C LYS C 186 5755 6245 7937 -37 273 -24 C +ATOM 3324 O LYS C 186 -0.831 54.036 23.073 1.00 47.67 O +ANISOU 3324 O LYS C 186 5272 5565 7275 -92 316 -56 O +ATOM 3325 CB LYS C 186 -2.335 56.523 21.955 1.00 51.75 C +ANISOU 3325 CB LYS C 186 5625 5880 8157 161 46 108 C +ATOM 3326 CG LYS C 186 -3.385 57.551 21.585 1.00 59.93 C +ANISOU 3326 CG LYS C 186 6545 6824 9402 316 -82 151 C +ATOM 3327 CD LYS C 186 -2.721 58.890 21.297 1.00 64.44 C +ANISOU 3327 CD LYS C 186 7205 7154 10126 350 -235 297 C +ATOM 3328 CE LYS C 186 -3.585 59.777 20.418 1.00 71.71 C +ANISOU 3328 CE LYS C 186 8022 8001 11225 467 -422 448 C +ATOM 3329 NZ LYS C 186 -2.872 61.032 20.045 1.00 75.93 N +ANISOU 3329 NZ LYS C 186 8656 8284 11909 468 -585 636 N +ATOM 3330 N SER C 187 -2.219 53.260 21.484 1.00 53.20 N +ANISOU 3330 N SER C 187 5770 6510 7935 -107 263 27 N +ATOM 3331 CA SER C 187 -1.275 52.258 21.014 1.00 52.82 C +ANISOU 3331 CA SER C 187 5784 6557 7728 -246 294 58 C +ATOM 3332 C SER C 187 -0.138 52.965 20.283 1.00 46.41 C +ANISOU 3332 C SER C 187 5053 5688 6894 -292 199 208 C +ATOM 3333 O SER C 187 -0.370 53.925 19.548 1.00 42.66 O +ANISOU 3333 O SER C 187 4548 5178 6482 -250 81 344 O +ATOM 3334 CB SER C 187 -1.963 51.245 20.098 1.00 50.37 C +ANISOU 3334 CB SER C 187 5362 6442 7336 -306 291 53 C +ATOM 3335 OG SER C 187 -1.023 50.348 19.531 1.00 52.23 O +ANISOU 3335 OG SER C 187 5647 6762 7435 -426 310 63 O +ATOM 3336 N LEU C 188 1.089 52.497 20.486 1.00 47.39 N +ANISOU 3336 N LEU C 188 5269 5802 6934 -382 247 194 N +ATOM 3337 CA LEU C 188 2.237 53.078 19.800 1.00 44.60 C +ANISOU 3337 CA LEU C 188 4973 5422 6552 -451 181 328 C +ATOM 3338 C LEU C 188 2.460 52.394 18.460 1.00 49.56 C +ANISOU 3338 C LEU C 188 5545 6257 7029 -550 167 395 C +ATOM 3339 O LEU C 188 3.315 52.804 17.677 1.00 60.57 O +ANISOU 3339 O LEU C 188 6961 7690 8364 -626 126 520 O +ATOM 3340 CB LEU C 188 3.499 52.971 20.658 1.00 40.95 C +ANISOU 3340 CB LEU C 188 4612 4859 6088 -496 231 267 C +ATOM 3341 CG LEU C 188 3.579 53.829 21.921 1.00 41.38 C +ANISOU 3341 CG LEU C 188 4742 4711 6268 -419 226 201 C +ATOM 3342 CD1 LEU C 188 4.851 53.514 22.694 1.00 38.43 C +ANISOU 3342 CD1 LEU C 188 4458 4280 5862 -478 260 135 C +ATOM 3343 CD2 LEU C 188 3.521 55.306 21.566 1.00 39.15 C +ANISOU 3343 CD2 LEU C 188 4467 4283 6124 -373 113 325 C +ATOM 3344 N ASP C 189 1.684 51.345 18.207 1.00 45.22 N +ANISOU 3344 N ASP C 189 4918 5849 6413 -557 207 303 N +ATOM 3345 CA ASP C 189 1.803 50.577 16.976 1.00 47.33 C +ANISOU 3345 CA ASP C 189 5126 6329 6529 -647 197 314 C +ATOM 3346 C ASP C 189 0.785 51.052 15.941 1.00 47.31 C +ANISOU 3346 C ASP C 189 5035 6444 6496 -621 87 426 C +ATOM 3347 O ASP C 189 -0.407 50.772 16.066 1.00 46.22 O +ANISOU 3347 O ASP C 189 4813 6339 6411 -563 74 363 O +ATOM 3348 CB ASP C 189 1.617 49.085 17.263 1.00 52.13 C +ANISOU 3348 CB ASP C 189 5701 7007 7098 -683 286 134 C +ATOM 3349 CG ASP C 189 2.052 48.206 16.106 1.00 53.86 C +ANISOU 3349 CG ASP C 189 5872 7423 7169 -779 290 89 C +ATOM 3350 OD1 ASP C 189 2.417 48.749 15.043 1.00 49.71 O +ANISOU 3350 OD1 ASP C 189 5332 7021 6535 -824 234 204 O +ATOM 3351 OD2 ASP C 189 2.025 46.966 16.261 1.00 58.97 O +ANISOU 3351 OD2 ASP C 189 6496 8103 7807 -814 350 -64 O +ATOM 3352 N PRO C 190 1.256 51.778 14.914 1.00 45.70 N +ANISOU 3352 N PRO C 190 4844 6313 6206 -673 2 605 N +ATOM 3353 CA PRO C 190 0.384 52.294 13.852 1.00 46.11 C +ANISOU 3353 CA PRO C 190 4825 6486 6207 -656 -133 752 C +ATOM 3354 C PRO C 190 -0.251 51.175 13.029 1.00 52.22 C +ANISOU 3354 C PRO C 190 5500 7511 6832 -706 -135 647 C +ATOM 3355 O PRO C 190 -1.241 51.406 12.335 1.00 60.07 O +ANISOU 3355 O PRO C 190 6412 8611 7801 -672 -254 721 O +ATOM 3356 CB PRO C 190 1.332 53.132 12.989 1.00 38.45 C +ANISOU 3356 CB PRO C 190 3917 5557 5137 -747 -194 973 C +ATOM 3357 CG PRO C 190 2.683 52.573 13.253 1.00 37.10 C +ANISOU 3357 CG PRO C 190 3801 5399 4897 -842 -63 878 C +ATOM 3358 CD PRO C 190 2.672 52.104 14.676 1.00 37.02 C +ANISOU 3358 CD PRO C 190 3820 5205 5041 -766 30 686 C +ATOM 3359 N ARG C 191 0.321 49.978 13.112 1.00 47.62 N +ANISOU 3359 N ARG C 191 4920 7009 6165 -780 -19 468 N +ATOM 3360 CA ARG C 191 -0.198 48.823 12.388 1.00 45.64 C +ANISOU 3360 CA ARG C 191 4579 6971 5793 -836 -15 325 C +ATOM 3361 C ARG C 191 -1.562 48.387 12.909 1.00 48.12 C +ANISOU 3361 C ARG C 191 4801 7247 6237 -766 -29 219 C +ATOM 3362 O ARG C 191 -2.316 47.715 12.207 1.00 44.15 O +ANISOU 3362 O ARG C 191 4198 6916 5662 -800 -77 138 O +ATOM 3363 CB ARG C 191 0.783 47.653 12.480 1.00 42.68 C +ANISOU 3363 CB ARG C 191 4229 6635 5353 -916 108 140 C +ATOM 3364 CG ARG C 191 2.132 47.913 11.831 1.00 42.85 C +ANISOU 3364 CG ARG C 191 4298 6752 5231 -999 140 205 C +ATOM 3365 CD ARG C 191 3.021 46.686 11.927 1.00 42.50 C +ANISOU 3365 CD ARG C 191 4248 6741 5158 -1053 253 -13 C +ATOM 3366 NE ARG C 191 3.181 46.243 13.309 1.00 47.08 N +ANISOU 3366 NE ARG C 191 4880 7079 5930 -995 320 -110 N +ATOM 3367 CZ ARG C 191 3.673 45.061 13.664 1.00 44.18 C +ANISOU 3367 CZ ARG C 191 4508 6671 5608 -1013 392 -300 C +ATOM 3368 NH1 ARG C 191 4.054 44.193 12.736 1.00 43.80 N +ANISOU 3368 NH1 ARG C 191 4396 6799 5446 -1075 416 -449 N +ATOM 3369 NH2 ARG C 191 3.782 44.745 14.947 1.00 42.25 N +ANISOU 3369 NH2 ARG C 191 4324 6209 5520 -966 434 -344 N +ATOM 3370 N GLU C 192 -1.877 48.771 14.142 1.00 50.67 N +ANISOU 3370 N GLU C 192 5149 7359 6745 -677 17 207 N +ATOM 3371 CA GLU C 192 -3.123 48.354 14.771 1.00 50.13 C +ANISOU 3371 CA GLU C 192 4982 7260 6804 -623 39 98 C +ATOM 3372 C GLU C 192 -4.290 49.235 14.329 1.00 55.31 C +ANISOU 3372 C GLU C 192 5528 7959 7529 -530 -98 204 C +ATOM 3373 O GLU C 192 -5.447 48.946 14.634 1.00 57.82 O +ANISOU 3373 O GLU C 192 5721 8298 7949 -487 -97 117 O +ATOM 3374 CB GLU C 192 -2.981 48.360 16.295 1.00 49.92 C +ANISOU 3374 CB GLU C 192 5021 7028 6917 -574 161 27 C +ATOM 3375 CG GLU C 192 -2.207 47.156 16.825 1.00 55.44 C +ANISOU 3375 CG GLU C 192 5791 7694 7579 -661 280 -104 C +ATOM 3376 CD GLU C 192 -2.089 47.141 18.337 1.00 58.06 C +ANISOU 3376 CD GLU C 192 6198 7850 8014 -624 386 -154 C +ATOM 3377 OE1 GLU C 192 -1.772 46.069 18.897 1.00 61.35 O +ANISOU 3377 OE1 GLU C 192 6654 8229 8426 -688 470 -250 O +ATOM 3378 OE2 GLU C 192 -2.304 48.198 18.964 1.00 57.18 O +ANISOU 3378 OE2 GLU C 192 6108 7634 7984 -532 378 -99 O +ATOM 3379 N GLY C 193 -3.978 50.308 13.608 1.00 54.48 N +ANISOU 3379 N GLY C 193 5461 7862 7377 -504 -221 400 N +ATOM 3380 CA GLY C 193 -4.994 51.114 12.953 1.00 54.29 C +ANISOU 3380 CA GLY C 193 5334 7891 7402 -421 -395 533 C +ATOM 3381 C GLY C 193 -5.532 52.292 13.742 1.00 52.23 C +ANISOU 3381 C GLY C 193 5056 7411 7378 -263 -442 600 C +ATOM 3382 O GLY C 193 -6.581 52.840 13.405 1.00 57.29 O +ANISOU 3382 O GLY C 193 5576 8071 8121 -162 -581 664 O +ATOM 3383 N GLY C 194 -4.820 52.686 14.793 1.00 49.73 N +ANISOU 3383 N GLY C 194 4852 6887 7158 -233 -337 569 N +ATOM 3384 CA GLY C 194 -5.218 53.836 15.584 1.00 41.95 C +ANISOU 3384 CA GLY C 194 3860 5678 6400 -81 -374 597 C +ATOM 3385 C GLY C 194 -6.110 53.467 16.752 1.00 48.69 C +ANISOU 3385 C GLY C 194 4618 6486 7397 2 -251 385 C +ATOM 3386 O GLY C 194 -7.203 54.013 16.910 1.00 53.02 O +ANISOU 3386 O GLY C 194 5029 7000 8115 136 -316 360 O +ATOM 3387 N LEU C 195 -5.641 52.534 17.573 1.00 44.79 N +ANISOU 3387 N LEU C 195 4187 5998 6834 -80 -74 235 N +ATOM 3388 CA LEU C 195 -6.386 52.105 18.749 1.00 47.22 C +ANISOU 3388 CA LEU C 195 4422 6284 7237 -37 69 50 C +ATOM 3389 C LEU C 195 -6.096 53.013 19.938 1.00 49.15 C +ANISOU 3389 C LEU C 195 4747 6324 7605 64 129 -2 C +ATOM 3390 O LEU C 195 -4.944 53.361 20.196 1.00 51.12 O +ANISOU 3390 O LEU C 195 5155 6454 7813 32 137 47 O +ATOM 3391 CB LEU C 195 -6.051 50.653 19.090 1.00 38.80 C +ANISOU 3391 CB LEU C 195 3394 5310 6040 -181 215 -63 C +ATOM 3392 CG LEU C 195 -6.309 49.662 17.955 1.00 39.55 C +ANISOU 3392 CG LEU C 195 3410 5598 6021 -288 161 -59 C +ATOM 3393 CD1 LEU C 195 -6.024 48.240 18.400 1.00 35.19 C +ANISOU 3393 CD1 LEU C 195 2894 5083 5394 -418 297 -183 C +ATOM 3394 CD2 LEU C 195 -7.736 49.789 17.447 1.00 41.68 C +ANISOU 3394 CD2 LEU C 195 3472 5982 6381 -225 72 -74 C +ATOM 3395 N TYR C 196 -7.145 53.395 20.659 1.00 50.39 N +ANISOU 3395 N TYR C 196 4779 6452 7916 186 173 -121 N +ATOM 3396 CA TYR C 196 -7.002 54.336 21.762 1.00 48.58 C +ANISOU 3396 CA TYR C 196 4605 6042 7813 300 223 -209 C +ATOM 3397 C TYR C 196 -8.107 54.161 22.800 1.00 53.24 C +ANISOU 3397 C TYR C 196 5052 6688 8488 373 370 -414 C +ATOM 3398 O TYR C 196 -9.085 53.451 22.572 1.00 53.51 O +ANISOU 3398 O TYR C 196 4920 6887 8523 347 410 -464 O +ATOM 3399 CB TYR C 196 -7.000 55.779 21.243 1.00 48.23 C +ANISOU 3399 CB TYR C 196 4557 5823 7944 438 35 -89 C +ATOM 3400 CG TYR C 196 -8.351 56.266 20.762 1.00 51.70 C +ANISOU 3400 CG TYR C 196 4783 6297 8565 583 -77 -90 C +ATOM 3401 CD1 TYR C 196 -9.152 57.063 21.572 1.00 52.66 C +ANISOU 3401 CD1 TYR C 196 4791 6308 8908 763 -53 -246 C +ATOM 3402 CD2 TYR C 196 -8.829 55.925 19.503 1.00 54.93 C +ANISOU 3402 CD2 TYR C 196 5092 6857 8923 546 -213 49 C +ATOM 3403 CE1 TYR C 196 -10.389 57.508 21.140 1.00 55.55 C +ANISOU 3403 CE1 TYR C 196 4937 6701 9468 912 -166 -258 C +ATOM 3404 CE2 TYR C 196 -10.065 56.366 19.063 1.00 56.57 C +ANISOU 3404 CE2 TYR C 196 5091 7098 9304 685 -340 52 C +ATOM 3405 CZ TYR C 196 -10.840 57.157 19.885 1.00 55.18 C +ANISOU 3405 CZ TYR C 196 4792 6798 9374 873 -318 -98 C +ATOM 3406 OH TYR C 196 -12.069 57.598 19.451 1.00 56.09 O +ANISOU 3406 OH TYR C 196 4677 6943 9690 1027 -454 -105 O +ATOM 3407 N GLY C 197 -7.934 54.814 23.945 1.00 54.15 N +ANISOU 3407 N GLY C 197 5226 6680 8670 455 454 -543 N +ATOM 3408 CA GLY C 197 -8.931 54.803 24.998 1.00 54.46 C +ANISOU 3408 CA GLY C 197 5129 6785 8778 532 611 -755 C +ATOM 3409 C GLY C 197 -8.944 56.139 25.714 1.00 56.08 C +ANISOU 3409 C GLY C 197 5346 6805 9156 709 589 -877 C +ATOM 3410 O GLY C 197 -8.018 56.936 25.563 1.00 52.45 O +ANISOU 3410 O GLY C 197 5036 6151 8741 737 471 -794 O +ATOM 3411 N GLU C 198 -9.987 56.391 26.497 1.00 60.96 N +ANISOU 3411 N GLU C 198 5795 7483 9883 823 706 -1088 N +ATOM 3412 CA GLU C 198 -10.097 57.658 27.212 1.00 63.70 C +ANISOU 3412 CA GLU C 198 6129 7656 10417 1010 693 -1257 C +ATOM 3413 C GLU C 198 -10.936 57.504 28.482 1.00 62.47 C +ANISOU 3413 C GLU C 198 5844 7649 10244 1058 929 -1542 C +ATOM 3414 O GLU C 198 -12.033 56.950 28.440 1.00 66.83 O +ANISOU 3414 O GLU C 198 6180 8396 10816 1055 1026 -1608 O +ATOM 3415 CB GLU C 198 -10.693 58.717 26.282 1.00 71.42 C +ANISOU 3415 CB GLU C 198 6967 8482 11688 1198 469 -1184 C +ATOM 3416 CG GLU C 198 -10.572 60.146 26.768 1.00 84.41 C +ANISOU 3416 CG GLU C 198 8635 9860 13577 1394 384 -1312 C +ATOM 3417 CD GLU C 198 -10.937 61.145 25.685 1.00 93.02 C +ANISOU 3417 CD GLU C 198 9634 10754 14954 1552 113 -1155 C +ATOM 3418 OE1 GLU C 198 -10.347 61.070 24.587 1.00 93.83 O +ANISOU 3418 OE1 GLU C 198 9840 10813 14998 1457 -57 -865 O +ATOM 3419 OE2 GLU C 198 -11.818 61.997 25.925 1.00 97.03 O +ANISOU 3419 OE2 GLU C 198 9964 11158 15744 1772 65 -1318 O +ATOM 3420 N VAL C 199 -10.421 58.002 29.605 1.00 60.89 N +ANISOU 3420 N VAL C 199 5767 7371 9996 1092 1022 -1716 N +ATOM 3421 CA VAL C 199 -11.101 57.871 30.895 1.00 64.31 C +ANISOU 3421 CA VAL C 199 6102 7976 10358 1119 1266 -1996 C +ATOM 3422 C VAL C 199 -11.044 59.148 31.741 1.00 68.21 C +ANISOU 3422 C VAL C 199 6608 8308 11001 1307 1269 -2257 C +ATOM 3423 O VAL C 199 -9.960 59.656 32.032 1.00 62.22 O +ANISOU 3423 O VAL C 199 6066 7368 10206 1295 1189 -2249 O +ATOM 3424 CB VAL C 199 -10.504 56.708 31.728 1.00 52.21 C +ANISOU 3424 CB VAL C 199 4737 6622 8477 892 1453 -1973 C +ATOM 3425 CG1 VAL C 199 -11.037 56.741 33.152 1.00 54.32 C +ANISOU 3425 CG1 VAL C 199 4946 7064 8631 910 1701 -2256 C +ATOM 3426 CG2 VAL C 199 -10.799 55.364 31.076 1.00 52.38 C +ANISOU 3426 CG2 VAL C 199 4705 6819 8379 712 1490 -1783 C +ATOM 3427 N LYS C 200 -12.209 59.661 32.132 1.00 68.87 N +ANISOU 3427 N LYS C 200 6445 8458 11266 1481 1359 -2508 N +ATOM 3428 CA LYS C 200 -12.284 60.827 33.009 1.00 72.87 C +ANISOU 3428 CA LYS C 200 6930 8831 11925 1673 1386 -2818 C +ATOM 3429 C LYS C 200 -11.836 60.507 34.433 1.00 73.31 C +ANISOU 3429 C LYS C 200 7129 9050 11675 1566 1616 -3024 C +ATOM 3430 O LYS C 200 -12.191 59.467 34.985 1.00 75.60 O +ANISOU 3430 O LYS C 200 7384 9641 11700 1409 1839 -3039 O +ATOM 3431 CB LYS C 200 -13.710 61.392 33.060 1.00 83.20 C +ANISOU 3431 CB LYS C 200 7902 10194 13516 1899 1437 -3062 C +ATOM 3432 CG LYS C 200 -14.114 62.366 31.952 1.00 91.09 C +ANISOU 3432 CG LYS C 200 8766 10920 14925 2117 1154 -2970 C +ATOM 3433 CD LYS C 200 -14.286 61.699 30.611 1.00 94.96 C +ANISOU 3433 CD LYS C 200 9208 11454 15417 2021 1001 -2622 C +ATOM 3434 CE LYS C 200 -14.706 62.716 29.570 1.00 98.56 C +ANISOU 3434 CE LYS C 200 9536 11650 16262 2239 706 -2519 C +ATOM 3435 NZ LYS C 200 -14.769 62.137 28.204 1.00 99.23 N +ANISOU 3435 NZ LYS C 200 9603 11781 16317 2139 529 -2169 N +ATOM 3436 N THR C 201 -11.047 61.408 35.013 1.00 73.04 N +ANISOU 3436 N THR C 201 7259 8814 11677 1640 1548 -3172 N +ATOM 3437 CA THR C 201 -10.614 61.289 36.401 1.00 75.30 C +ANISOU 3437 CA THR C 201 7682 9247 11681 1564 1735 -3401 C +ATOM 3438 C THR C 201 -10.164 62.651 36.908 1.00 79.25 C +ANISOU 3438 C THR C 201 8256 9482 12372 1740 1629 -3663 C +ATOM 3439 O THR C 201 -9.732 63.497 36.124 1.00 80.23 O +ANISOU 3439 O THR C 201 8426 9268 12788 1843 1377 -3554 O +ATOM 3440 CB THR C 201 -9.463 60.275 36.566 1.00 70.21 C +ANISOU 3440 CB THR C 201 7309 8685 10682 1303 1745 -3156 C +ATOM 3441 OG1 THR C 201 -9.043 60.245 37.936 1.00 71.96 O +ANISOU 3441 OG1 THR C 201 7667 9047 10626 1240 1898 -3377 O +ATOM 3442 CG2 THR C 201 -8.277 60.650 35.687 1.00 66.20 C +ANISOU 3442 CG2 THR C 201 6991 7868 10293 1277 1472 -2905 C +ATOM 3443 N GLU C 202 -10.268 62.877 38.214 1.00 82.43 N +ANISOU 3443 N GLU C 202 8708 10045 12565 1730 1778 -3925 N +ATOM 3444 CA GLU C 202 -9.719 64.101 38.777 1.00 85.55 C +ANISOU 3444 CA GLU C 202 9230 10207 13067 1835 1645 -4115 C +ATOM 3445 C GLU C 202 -8.216 63.910 38.963 1.00 79.81 C +ANISOU 3445 C GLU C 202 8780 9365 12178 1698 1566 -4041 C +ATOM 3446 O GLU C 202 -7.768 62.961 39.608 1.00 79.53 O +ANISOU 3446 O GLU C 202 8866 9574 11779 1522 1721 -4029 O +ATOM 3447 CB GLU C 202 -10.407 64.485 40.094 1.00 95.86 C +ANISOU 3447 CB GLU C 202 10479 11731 14213 1881 1817 -4430 C +ATOM 3448 CG GLU C 202 -10.290 63.497 41.241 1.00102.96 C +ANISOU 3448 CG GLU C 202 11472 13014 14634 1689 2070 -4495 C +ATOM 3449 CD GLU C 202 -11.054 63.957 42.471 1.00111.21 C +ANISOU 3449 CD GLU C 202 12438 14272 15545 1747 2232 -4801 C +ATOM 3450 OE1 GLU C 202 -12.220 64.380 42.325 1.00114.85 O +ANISOU 3450 OE1 GLU C 202 12663 14761 16212 1887 2273 -4910 O +ATOM 3451 OE2 GLU C 202 -10.485 63.909 43.582 1.00114.22 O +ANISOU 3451 OE2 GLU C 202 12988 14795 15616 1655 2313 -4936 O +ATOM 3452 N VAL C 203 -7.440 64.811 38.375 1.00 75.96 N +ANISOU 3452 N VAL C 203 8394 8500 11968 1767 1312 -3969 N +ATOM 3453 CA VAL C 203 -5.989 64.701 38.408 1.00 74.01 C +ANISOU 3453 CA VAL C 203 8399 8112 11608 1626 1194 -3853 C +ATOM 3454 C VAL C 203 -5.405 65.506 39.560 1.00 80.08 C +ANISOU 3454 C VAL C 203 9310 8825 12290 1638 1166 -4123 C +ATOM 3455 O VAL C 203 -5.520 66.731 39.587 1.00 87.83 O +ANISOU 3455 O VAL C 203 10267 9566 13538 1773 1023 -4237 O +ATOM 3456 CB VAL C 203 -5.360 65.173 37.087 1.00 69.47 C +ANISOU 3456 CB VAL C 203 7878 7187 11329 1627 916 -3529 C +ATOM 3457 CG1 VAL C 203 -3.854 64.975 37.121 1.00 64.55 C +ANISOU 3457 CG1 VAL C 203 7506 6474 10545 1438 797 -3350 C +ATOM 3458 CG2 VAL C 203 -5.977 64.423 35.914 1.00 65.73 C +ANISOU 3458 CG2 VAL C 203 7277 6809 10890 1591 910 -3207 C +ATOM 3459 N PRO C 204 -4.778 64.812 40.522 1.00 76.09 N +ANISOU 3459 N PRO C 204 8961 8554 11395 1483 1288 -4201 N +ATOM 3460 CA PRO C 204 -4.175 65.455 41.695 1.00 79.70 C +ANISOU 3460 CA PRO C 204 9567 9015 11702 1467 1257 -4437 C +ATOM 3461 C PRO C 204 -3.104 66.472 41.309 1.00 83.40 C +ANISOU 3461 C PRO C 204 10164 9083 12442 1484 980 -4391 C +ATOM 3462 O PRO C 204 -2.449 66.308 40.283 1.00 86.15 O +ANISOU 3462 O PRO C 204 10560 9217 12957 1428 833 -4132 O +ATOM 3463 CB PRO C 204 -3.555 64.281 42.465 1.00 74.73 C +ANISOU 3463 CB PRO C 204 9094 8694 10606 1265 1396 -4412 C +ATOM 3464 CG PRO C 204 -3.431 63.173 41.461 1.00 66.92 C +ANISOU 3464 CG PRO C 204 8100 7748 9579 1139 1393 -4023 C +ATOM 3465 CD PRO C 204 -4.564 63.355 40.509 1.00 67.91 C +ANISOU 3465 CD PRO C 204 7992 7803 10009 1279 1417 -3963 C +ATOM 3466 N GLN C 205 -2.928 67.500 42.131 1.00 86.48 N +ANISOU 3466 N GLN C 205 10604 9382 12872 1546 914 -4633 N +ATOM 3467 CA GLN C 205 -1.934 68.531 41.870 1.00 87.38 C +ANISOU 3467 CA GLN C 205 10833 9127 13242 1544 659 -4599 C +ATOM 3468 C GLN C 205 -0.674 68.260 42.677 1.00 90.55 C +ANISOU 3468 C GLN C 205 11447 9601 13358 1379 616 -4651 C +ATOM 3469 O GLN C 205 -0.683 67.444 43.597 1.00 93.15 O +ANISOU 3469 O GLN C 205 11837 10268 13288 1295 781 -4761 O +ATOM 3470 CB GLN C 205 -2.487 69.912 42.212 1.00 90.28 C +ANISOU 3470 CB GLN C 205 11114 9312 13878 1713 590 -4836 C +ATOM 3471 CG GLN C 205 -2.979 70.027 43.635 1.00 97.25 C +ANISOU 3471 CG GLN C 205 11983 10474 14494 1752 766 -5197 C +ATOM 3472 CD GLN C 205 -3.709 71.321 43.889 1.00100.35 C +ANISOU 3472 CD GLN C 205 12250 10697 15180 1940 719 -5447 C +ATOM 3473 OE1 GLN C 205 -4.233 71.941 42.965 1.00102.01 O +ANISOU 3473 OE1 GLN C 205 12333 10652 15774 2066 605 -5342 O +ATOM 3474 NE2 GLN C 205 -3.722 71.752 45.139 1.00 98.46 N +ANISOU 3474 NE2 GLN C 205 12049 10595 14765 1958 794 -5778 N +ATOM 3475 N GLY C 206 0.408 68.945 42.325 1.00 90.83 N +ANISOU 3475 N GLY C 206 11590 9326 13595 1322 387 -4554 N +ATOM 3476 CA GLY C 206 1.667 68.782 43.024 1.00 90.93 C +ANISOU 3476 CA GLY C 206 11790 9379 13382 1167 307 -4595 C +ATOM 3477 C GLY C 206 2.321 67.451 42.729 1.00 88.22 C +ANISOU 3477 C GLY C 206 11531 9195 12792 1003 340 -4376 C +ATOM 3478 O GLY C 206 3.008 66.886 43.578 1.00 90.21 O +ANISOU 3478 O GLY C 206 11915 9648 12712 881 359 -4450 O +ATOM 3479 N ILE C 207 2.108 66.952 41.517 1.00 85.17 N +ANISOU 3479 N ILE C 207 11068 8720 12572 998 336 -4106 N +ATOM 3480 CA ILE C 207 2.728 65.710 41.080 1.00 81.36 C +ANISOU 3480 CA ILE C 207 10653 8392 11868 826 351 -3791 C +ATOM 3481 C ILE C 207 3.535 65.911 39.804 1.00 79.90 C +ANISOU 3481 C ILE C 207 10480 7929 11951 750 157 -3445 C +ATOM 3482 O ILE C 207 3.210 66.762 38.976 1.00 83.85 O +ANISOU 3482 O ILE C 207 10896 8147 12818 848 61 -3393 O +ATOM 3483 CB ILE C 207 1.680 64.605 40.840 1.00 76.49 C +ANISOU 3483 CB ILE C 207 9933 8075 11053 829 563 -3642 C +ATOM 3484 CG1 ILE C 207 0.690 65.036 39.755 1.00 76.19 C +ANISOU 3484 CG1 ILE C 207 9717 7875 11357 971 561 -3549 C +ATOM 3485 CG2 ILE C 207 0.944 64.279 42.128 1.00 76.34 C +ANISOU 3485 CG2 ILE C 207 9906 8384 10716 861 780 -3947 C +ATOM 3486 CD1 ILE C 207 -0.239 63.936 39.299 1.00 72.87 C +ANISOU 3486 CD1 ILE C 207 9183 7716 10790 950 732 -3357 C +ATOM 3487 N LYS C 208 4.600 65.132 39.659 1.00 75.93 N +ANISOU 3487 N LYS C 208 10076 7512 11261 573 99 -3208 N +ATOM 3488 CA LYS C 208 5.354 65.107 38.416 1.00 73.57 C +ANISOU 3488 CA LYS C 208 9771 7031 11151 476 -41 -2861 C +ATOM 3489 C LYS C 208 5.360 63.689 37.882 1.00 65.74 C +ANISOU 3489 C LYS C 208 8767 6292 9920 372 57 -2562 C +ATOM 3490 O LYS C 208 5.575 62.736 38.629 1.00 64.51 O +ANISOU 3490 O LYS C 208 8681 6388 9441 296 139 -2580 O +ATOM 3491 CB LYS C 208 6.789 65.595 38.623 1.00 76.81 C +ANISOU 3491 CB LYS C 208 10287 7268 11630 356 -227 -2869 C +ATOM 3492 CG LYS C 208 7.536 65.863 37.325 1.00 82.35 C +ANISOU 3492 CG LYS C 208 10961 7747 12583 261 -368 -2547 C +ATOM 3493 CD LYS C 208 9.025 65.588 37.464 1.00 88.28 C +ANISOU 3493 CD LYS C 208 11792 8504 13248 85 -484 -2454 C +ATOM 3494 CE LYS C 208 9.298 64.098 37.607 1.00 91.35 C +ANISOU 3494 CE LYS C 208 12207 9216 13286 -3 -387 -2305 C +ATOM 3495 NZ LYS C 208 10.753 63.804 37.724 1.00 93.19 N +ANISOU 3495 NZ LYS C 208 12493 9456 13459 -157 -512 -2219 N +ATOM 3496 N TRP C 209 5.122 63.550 36.585 1.00 61.05 N +ANISOU 3496 N TRP C 209 8086 5624 9486 368 36 -2286 N +ATOM 3497 CA TRP C 209 5.095 62.234 35.972 1.00 56.71 C +ANISOU 3497 CA TRP C 209 7513 5291 8744 275 120 -2023 C +ATOM 3498 C TRP C 209 5.940 62.199 34.710 1.00 55.50 C +ANISOU 3498 C TRP C 209 7347 5015 8727 171 0 -1721 C +ATOM 3499 O TRP C 209 6.100 63.209 34.026 1.00 62.84 O +ANISOU 3499 O TRP C 209 8247 5697 9932 194 -121 -1657 O +ATOM 3500 CB TRP C 209 3.657 61.812 35.665 1.00 59.50 C +ANISOU 3500 CB TRP C 209 7744 5788 9077 373 271 -2012 C +ATOM 3501 CG TRP C 209 2.935 62.742 34.747 1.00 62.97 C +ANISOU 3501 CG TRP C 209 8068 6022 9837 496 206 -1969 C +ATOM 3502 CD1 TRP C 209 2.262 63.876 35.094 1.00 68.28 C +ANISOU 3502 CD1 TRP C 209 8686 6524 10735 657 181 -2202 C +ATOM 3503 CD2 TRP C 209 2.808 62.617 33.326 1.00 62.90 C +ANISOU 3503 CD2 TRP C 209 7982 5956 9960 472 143 -1675 C +ATOM 3504 NE1 TRP C 209 1.724 64.467 33.976 1.00 70.88 N +ANISOU 3504 NE1 TRP C 209 8911 6674 11347 740 91 -2048 N +ATOM 3505 CE2 TRP C 209 2.045 63.714 32.878 1.00 65.78 C +ANISOU 3505 CE2 TRP C 209 8255 6110 10630 621 67 -1717 C +ATOM 3506 CE3 TRP C 209 3.266 61.686 32.389 1.00 63.76 C +ANISOU 3506 CE3 TRP C 209 8089 6178 9957 342 140 -1392 C +ATOM 3507 CZ2 TRP C 209 1.729 63.905 31.534 1.00 67.80 C +ANISOU 3507 CZ2 TRP C 209 8428 6276 11056 634 -23 -1456 C +ATOM 3508 CZ3 TRP C 209 2.951 61.877 31.055 1.00 65.53 C +ANISOU 3508 CZ3 TRP C 209 8229 6334 10336 352 69 -1163 C +ATOM 3509 CH2 TRP C 209 2.190 62.978 30.641 1.00 66.18 C +ANISOU 3509 CH2 TRP C 209 8231 6217 10697 492 -16 -1181 C +ATOM 3510 N GLU C 210 6.480 61.025 34.410 1.00 53.03 N +ANISOU 3510 N GLU C 210 7053 4876 8221 54 34 -1537 N +ATOM 3511 CA GLU C 210 7.331 60.854 33.244 1.00 55.08 C +ANISOU 3511 CA GLU C 210 7288 5075 8564 -55 -52 -1273 C +ATOM 3512 C GLU C 210 7.034 59.519 32.569 1.00 53.92 C +ANISOU 3512 C GLU C 210 7090 5144 8253 -104 48 -1090 C +ATOM 3513 O GLU C 210 6.706 58.536 33.234 1.00 50.93 O +ANISOU 3513 O GLU C 210 6737 4955 7659 -109 152 -1147 O +ATOM 3514 CB GLU C 210 8.804 60.949 33.646 1.00 62.46 C +ANISOU 3514 CB GLU C 210 8302 5950 9481 -171 -164 -1284 C +ATOM 3515 CG GLU C 210 9.761 61.175 32.488 1.00 68.70 C +ANISOU 3515 CG GLU C 210 9049 6634 10420 -285 -261 -1054 C +ATOM 3516 CD GLU C 210 11.188 61.399 32.952 1.00 76.08 C +ANISOU 3516 CD GLU C 210 10034 7499 11374 -395 -377 -1095 C +ATOM 3517 OE1 GLU C 210 11.400 61.550 34.175 1.00 80.36 O +ANISOU 3517 OE1 GLU C 210 10655 8043 11836 -373 -409 -1313 O +ATOM 3518 OE2 GLU C 210 12.096 61.431 32.095 1.00 74.52 O +ANISOU 3518 OE2 GLU C 210 9789 7262 11265 -511 -436 -916 O +ATOM 3519 N LEU C 211 7.151 59.489 31.246 1.00 52.21 N +ANISOU 3519 N LEU C 211 6803 4899 8136 -149 12 -869 N +ATOM 3520 CA LEU C 211 6.947 58.260 30.491 1.00 49.37 C +ANISOU 3520 CA LEU C 211 6389 4730 7639 -201 90 -714 C +ATOM 3521 C LEU C 211 8.202 57.942 29.694 1.00 45.09 C +ANISOU 3521 C LEU C 211 5841 4194 7097 -330 26 -546 C +ATOM 3522 O LEU C 211 8.692 58.774 28.930 1.00 47.73 O +ANISOU 3522 O LEU C 211 6150 4399 7585 -373 -61 -434 O +ATOM 3523 CB LEU C 211 5.738 58.382 29.562 1.00 50.96 C +ANISOU 3523 CB LEU C 211 6486 4956 7921 -127 126 -626 C +ATOM 3524 CG LEU C 211 5.329 57.105 28.825 1.00 53.87 C +ANISOU 3524 CG LEU C 211 6788 5529 8150 -173 210 -507 C +ATOM 3525 CD1 LEU C 211 4.798 56.067 29.802 1.00 55.68 C +ANISOU 3525 CD1 LEU C 211 7040 5916 8199 -163 334 -629 C +ATOM 3526 CD2 LEU C 211 4.300 57.410 27.748 1.00 58.11 C +ANISOU 3526 CD2 LEU C 211 7216 6074 8788 -114 198 -401 C +ATOM 3527 N TYR C 212 8.720 56.733 29.879 1.00 37.22 N +ANISOU 3527 N TYR C 212 4860 3347 5936 -394 69 -529 N +ATOM 3528 CA TYR C 212 9.962 56.327 29.234 1.00 40.19 C +ANISOU 3528 CA TYR C 212 5211 3750 6310 -505 21 -414 C +ATOM 3529 C TYR C 212 10.025 54.812 29.056 1.00 43.41 C +ANISOU 3529 C TYR C 212 5594 4334 6564 -538 91 -376 C +ATOM 3530 O TYR C 212 9.299 54.077 29.725 1.00 45.95 O +ANISOU 3530 O TYR C 212 5951 4738 6770 -495 162 -443 O +ATOM 3531 CB TYR C 212 11.162 56.830 30.048 1.00 35.97 C +ANISOU 3531 CB TYR C 212 4738 3111 5817 -553 -79 -497 C +ATOM 3532 CG TYR C 212 11.157 56.418 31.504 1.00 36.99 C +ANISOU 3532 CG TYR C 212 4964 3282 5809 -515 -76 -663 C +ATOM 3533 CD1 TYR C 212 11.570 55.150 31.892 1.00 43.74 C +ANISOU 3533 CD1 TYR C 212 5842 4270 6509 -547 -57 -651 C +ATOM 3534 CD2 TYR C 212 10.754 57.306 32.493 1.00 38.20 C +ANISOU 3534 CD2 TYR C 212 5187 3341 5985 -449 -99 -832 C +ATOM 3535 CE1 TYR C 212 11.569 54.772 33.222 1.00 46.96 C +ANISOU 3535 CE1 TYR C 212 6349 4727 6765 -526 -67 -768 C +ATOM 3536 CE2 TYR C 212 10.752 56.938 33.826 1.00 43.67 C +ANISOU 3536 CE2 TYR C 212 5974 4109 6510 -427 -92 -982 C +ATOM 3537 CZ TYR C 212 11.160 55.671 34.185 1.00 48.61 C +ANISOU 3537 CZ TYR C 212 6631 4878 6960 -472 -78 -932 C +ATOM 3538 OH TYR C 212 11.161 55.300 35.510 1.00 55.56 O +ANISOU 3538 OH TYR C 212 7616 5844 7649 -464 -83 -1047 O +ATOM 3539 N PRO C 213 10.890 54.339 28.143 1.00 39.68 N +ANISOU 3539 N PRO C 213 5057 3920 6099 -620 75 -273 N +ATOM 3540 CA PRO C 213 11.003 52.895 27.909 1.00 37.54 C +ANISOU 3540 CA PRO C 213 4754 3789 5721 -643 129 -258 C +ATOM 3541 C PRO C 213 11.505 52.120 29.125 1.00 43.75 C +ANISOU 3541 C PRO C 213 5618 4581 6423 -636 102 -344 C +ATOM 3542 O PRO C 213 12.428 52.562 29.808 1.00 45.68 O +ANISOU 3542 O PRO C 213 5906 4754 6697 -655 15 -393 O +ATOM 3543 CB PRO C 213 12.016 52.803 26.762 1.00 38.80 C +ANISOU 3543 CB PRO C 213 4819 3997 5928 -728 109 -168 C +ATOM 3544 CG PRO C 213 11.961 54.128 26.092 1.00 39.27 C +ANISOU 3544 CG PRO C 213 4853 3976 6091 -755 75 -79 C +ATOM 3545 CD PRO C 213 11.677 55.119 27.171 1.00 37.24 C +ANISOU 3545 CD PRO C 213 4687 3558 5905 -698 21 -162 C +ATOM 3546 N ASN C 214 10.882 50.975 29.387 1.00 46.28 N +ANISOU 3546 N ASN C 214 5957 4985 6643 -618 165 -352 N +ATOM 3547 CA ASN C 214 11.407 50.005 30.339 1.00 43.28 C +ANISOU 3547 CA ASN C 214 5645 4617 6181 -626 127 -383 C +ATOM 3548 C ASN C 214 12.708 49.425 29.800 1.00 44.97 C +ANISOU 3548 C ASN C 214 5790 4836 6462 -667 58 -355 C +ATOM 3549 O ASN C 214 12.702 48.726 28.788 1.00 49.36 O +ANISOU 3549 O ASN C 214 6255 5452 7046 -684 102 -319 O +ATOM 3550 CB ASN C 214 10.381 48.895 30.596 1.00 45.38 C +ANISOU 3550 CB ASN C 214 5937 4956 6350 -616 214 -367 C +ATOM 3551 CG ASN C 214 10.748 48.008 31.775 1.00 50.57 C +ANISOU 3551 CG ASN C 214 6697 5611 6906 -628 166 -369 C +ATOM 3552 OD1 ASN C 214 11.921 47.736 32.030 1.00 48.89 O +ANISOU 3552 OD1 ASN C 214 6497 5359 6721 -640 56 -365 O +ATOM 3553 ND2 ASN C 214 9.734 47.551 32.502 1.00 51.63 N +ANISOU 3553 ND2 ASN C 214 6897 5797 6924 -630 244 -366 N +ATOM 3554 N PRO C 215 13.832 49.718 30.470 1.00 45.72 N +ANISOU 3554 N PRO C 215 5913 4875 6583 -680 -52 -390 N +ATOM 3555 CA PRO C 215 15.148 49.298 29.973 1.00 41.84 C +ANISOU 3555 CA PRO C 215 5324 4391 6182 -714 -121 -383 C +ATOM 3556 C PRO C 215 15.338 47.780 29.946 1.00 39.91 C +ANISOU 3556 C PRO C 215 5058 4181 5926 -693 -130 -375 C +ATOM 3557 O PRO C 215 16.228 47.298 29.246 1.00 41.59 O +ANISOU 3557 O PRO C 215 5152 4420 6230 -705 -152 -387 O +ATOM 3558 CB PRO C 215 16.120 49.949 30.963 1.00 42.51 C +ANISOU 3558 CB PRO C 215 5456 4405 6290 -725 -253 -437 C +ATOM 3559 CG PRO C 215 15.327 50.129 32.207 1.00 42.23 C +ANISOU 3559 CG PRO C 215 5574 4350 6121 -688 -258 -479 C +ATOM 3560 CD PRO C 215 13.926 50.423 31.761 1.00 44.52 C +ANISOU 3560 CD PRO C 215 5875 4664 6375 -664 -122 -461 C +ATOM 3561 N LEU C 216 14.522 47.040 30.690 1.00 37.56 N +ANISOU 3561 N LEU C 216 4863 3881 5527 -666 -109 -357 N +ATOM 3562 CA LEU C 216 14.678 45.588 30.749 1.00 38.16 C +ANISOU 3562 CA LEU C 216 4934 3948 5618 -652 -138 -334 C +ATOM 3563 C LEU C 216 13.648 44.851 29.896 1.00 38.19 C +ANISOU 3563 C LEU C 216 4894 3995 5622 -658 -19 -316 C +ATOM 3564 O LEU C 216 13.782 43.652 29.652 1.00 38.85 O +ANISOU 3564 O LEU C 216 4945 4055 5762 -651 -37 -315 O +ATOM 3565 CB LEU C 216 14.587 45.101 32.197 1.00 35.69 C +ANISOU 3565 CB LEU C 216 4772 3595 5195 -641 -218 -297 C +ATOM 3566 CG LEU C 216 15.577 45.710 33.192 1.00 45.16 C +ANISOU 3566 CG LEU C 216 6029 4763 6366 -635 -363 -324 C +ATOM 3567 CD1 LEU C 216 15.462 45.028 34.546 1.00 47.78 C +ANISOU 3567 CD1 LEU C 216 6515 5084 6556 -634 -449 -264 C +ATOM 3568 CD2 LEU C 216 16.999 45.617 32.660 1.00 45.79 C +ANISOU 3568 CD2 LEU C 216 5974 4813 6610 -625 -470 -360 C +ATOM 3569 N VAL C 217 12.620 45.566 29.446 1.00 38.79 N +ANISOU 3569 N VAL C 217 4961 4124 5652 -670 87 -311 N +ATOM 3570 CA VAL C 217 11.583 44.972 28.604 1.00 42.24 C +ANISOU 3570 CA VAL C 217 5344 4619 6087 -682 189 -302 C +ATOM 3571 C VAL C 217 11.263 45.892 27.429 1.00 43.36 C +ANISOU 3571 C VAL C 217 5391 4834 6249 -692 250 -304 C +ATOM 3572 O VAL C 217 10.433 46.794 27.548 1.00 47.27 O +ANISOU 3572 O VAL C 217 5914 5340 6707 -680 293 -285 O +ATOM 3573 CB VAL C 217 10.275 44.686 29.385 1.00 42.72 C +ANISOU 3573 CB VAL C 217 5493 4687 6051 -688 258 -272 C +ATOM 3574 CG1 VAL C 217 9.457 43.630 28.663 1.00 46.59 C +ANISOU 3574 CG1 VAL C 217 5921 5211 6569 -715 326 -269 C +ATOM 3575 CG2 VAL C 217 10.566 44.236 30.811 1.00 36.88 C +ANISOU 3575 CG2 VAL C 217 4886 3891 5236 -692 192 -239 C +ATOM 3576 N ARG C 218 11.933 45.662 26.301 1.00 39.84 N +ANISOU 3576 N ARG C 218 4831 4445 5862 -712 251 -325 N +ATOM 3577 CA ARG C 218 11.764 46.489 25.107 1.00 44.01 C +ANISOU 3577 CA ARG C 218 5273 5063 6387 -740 297 -297 C +ATOM 3578 C ARG C 218 10.306 46.564 24.652 1.00 45.55 C +ANISOU 3578 C ARG C 218 5461 5317 6528 -734 367 -269 C +ATOM 3579 O ARG C 218 9.566 45.583 24.756 1.00 40.21 O +ANISOU 3579 O ARG C 218 4789 4654 5834 -730 402 -299 O +ATOM 3580 CB ARG C 218 12.634 45.965 23.960 1.00 45.89 C +ANISOU 3580 CB ARG C 218 5382 5397 6658 -774 310 -342 C +ATOM 3581 CG ARG C 218 12.891 47.000 22.872 1.00 55.45 C +ANISOU 3581 CG ARG C 218 6514 6708 7847 -829 338 -282 C +ATOM 3582 CD ARG C 218 13.497 46.384 21.619 1.00 63.79 C +ANISOU 3582 CD ARG C 218 7433 7919 8887 -872 386 -343 C +ATOM 3583 NE ARG C 218 14.827 45.832 21.855 1.00 72.77 N +ANISOU 3583 NE ARG C 218 8504 9036 10108 -865 354 -433 N +ATOM 3584 CZ ARG C 218 15.592 45.300 20.907 1.00 79.35 C +ANISOU 3584 CZ ARG C 218 9197 10003 10950 -893 400 -524 C +ATOM 3585 NH1 ARG C 218 15.162 45.252 19.653 1.00 82.75 N +ANISOU 3585 NH1 ARG C 218 9554 10611 11277 -941 480 -534 N +ATOM 3586 NH2 ARG C 218 16.789 44.819 21.213 1.00 77.94 N +ANISOU 3586 NH2 ARG C 218 8942 9793 10877 -869 361 -617 N +ATOM 3587 N ARG C 219 9.912 47.748 24.182 1.00 46.85 N +ANISOU 3587 N ARG C 219 5610 5505 6687 -736 374 -206 N +ATOM 3588 CA ARG C 219 8.560 48.038 23.691 1.00 42.61 C +ANISOU 3588 CA ARG C 219 5045 5024 6119 -718 415 -171 C +ATOM 3589 C ARG C 219 7.521 48.085 24.807 1.00 39.48 C +ANISOU 3589 C ARG C 219 4721 4566 5715 -666 444 -197 C +ATOM 3590 O ARG C 219 6.321 48.098 24.545 1.00 47.11 O +ANISOU 3590 O ARG C 219 5646 5584 6670 -645 485 -192 O +ATOM 3591 CB ARG C 219 8.132 47.030 22.622 1.00 42.93 C +ANISOU 3591 CB ARG C 219 4996 5196 6118 -749 454 -201 C +ATOM 3592 CG ARG C 219 8.896 47.157 21.317 1.00 47.12 C +ANISOU 3592 CG ARG C 219 5438 5847 6618 -804 450 -181 C +ATOM 3593 CD ARG C 219 8.315 46.243 20.256 1.00 48.56 C +ANISOU 3593 CD ARG C 219 5533 6177 6739 -831 484 -237 C +ATOM 3594 NE ARG C 219 8.416 44.842 20.650 1.00 52.30 N +ANISOU 3594 NE ARG C 219 6007 6613 7253 -826 501 -358 N +ATOM 3595 CZ ARG C 219 9.448 44.059 20.355 1.00 50.91 C +ANISOU 3595 CZ ARG C 219 5784 6456 7104 -841 501 -452 C +ATOM 3596 NH1 ARG C 219 10.471 44.541 19.661 1.00 47.45 N +ANISOU 3596 NH1 ARG C 219 5283 6106 6638 -873 505 -447 N +ATOM 3597 NH2 ARG C 219 9.460 42.795 20.755 1.00 57.24 N +ANISOU 3597 NH2 ARG C 219 6592 7181 7974 -827 495 -551 N +ATOM 3598 N PHE C 220 7.989 48.108 26.049 1.00 36.21 N +ANISOU 3598 N PHE C 220 4402 4060 5297 -651 422 -231 N +ATOM 3599 CA PHE C 220 7.117 48.352 27.190 1.00 30.81 C +ANISOU 3599 CA PHE C 220 3789 3341 4577 -609 461 -265 C +ATOM 3600 C PHE C 220 7.505 49.675 27.834 1.00 35.77 C +ANISOU 3600 C PHE C 220 4477 3876 5237 -571 412 -286 C +ATOM 3601 O PHE C 220 8.674 49.899 28.144 1.00 45.54 O +ANISOU 3601 O PHE C 220 5757 5052 6493 -592 340 -292 O +ATOM 3602 CB PHE C 220 7.208 47.215 28.210 1.00 33.42 C +ANISOU 3602 CB PHE C 220 4196 3661 4841 -634 477 -289 C +ATOM 3603 CG PHE C 220 6.444 45.980 27.820 1.00 36.80 C +ANISOU 3603 CG PHE C 220 4575 4150 5259 -672 536 -280 C +ATOM 3604 CD1 PHE C 220 6.935 45.122 26.851 1.00 38.25 C +ANISOU 3604 CD1 PHE C 220 4690 4354 5489 -705 511 -281 C +ATOM 3605 CD2 PHE C 220 5.242 45.670 28.434 1.00 40.92 C +ANISOU 3605 CD2 PHE C 220 5106 4710 5730 -681 621 -288 C +ATOM 3606 CE1 PHE C 220 6.239 43.981 26.497 1.00 39.96 C +ANISOU 3606 CE1 PHE C 220 4861 4604 5717 -745 553 -294 C +ATOM 3607 CE2 PHE C 220 4.541 44.530 28.086 1.00 39.72 C +ANISOU 3607 CE2 PHE C 220 4903 4600 5590 -735 669 -279 C +ATOM 3608 CZ PHE C 220 5.040 43.685 27.116 1.00 39.52 C +ANISOU 3608 CZ PHE C 220 4821 4570 5626 -766 627 -284 C +ATOM 3609 N MET C 221 6.531 50.558 28.023 1.00 32.28 N +ANISOU 3609 N MET C 221 4027 3416 4821 -512 442 -312 N +ATOM 3610 CA MET C 221 6.809 51.854 28.627 1.00 37.78 C +ANISOU 3610 CA MET C 221 4777 3999 5577 -467 390 -360 C +ATOM 3611 C MET C 221 6.598 51.812 30.134 1.00 42.43 C +ANISOU 3611 C MET C 221 5464 4582 6077 -439 424 -474 C +ATOM 3612 O MET C 221 5.875 50.959 30.649 1.00 38.85 O +ANISOU 3612 O MET C 221 5021 4220 5521 -447 510 -495 O +ATOM 3613 CB MET C 221 5.932 52.941 28.002 1.00 36.02 C +ANISOU 3613 CB MET C 221 4488 3735 5464 -401 384 -340 C +ATOM 3614 CG MET C 221 6.129 53.115 26.506 1.00 34.00 C +ANISOU 3614 CG MET C 221 4149 3503 5267 -440 338 -203 C +ATOM 3615 SD MET C 221 7.855 53.396 26.064 1.00 54.55 S +ANISOU 3615 SD MET C 221 6774 6051 7903 -534 254 -129 S +ATOM 3616 CE MET C 221 8.223 51.897 25.159 1.00 27.79 C +ANISOU 3616 CE MET C 221 3316 2833 4409 -610 302 -90 C +ATOM 3617 N VAL C 222 7.235 52.744 30.835 1.00 45.30 N +ANISOU 3617 N VAL C 222 5897 4844 6470 -419 355 -546 N +ATOM 3618 CA VAL C 222 7.077 52.859 32.277 1.00 48.01 C +ANISOU 3618 CA VAL C 222 6339 5201 6703 -394 378 -676 C +ATOM 3619 C VAL C 222 6.480 54.210 32.639 1.00 51.91 C +ANISOU 3619 C VAL C 222 6828 5609 7286 -305 381 -805 C +ATOM 3620 O VAL C 222 6.947 55.249 32.172 1.00 56.63 O +ANISOU 3620 O VAL C 222 7409 6064 8042 -288 290 -799 O +ATOM 3621 CB VAL C 222 8.421 52.683 33.016 1.00 46.45 C +ANISOU 3621 CB VAL C 222 6237 4968 6443 -446 275 -693 C +ATOM 3622 CG1 VAL C 222 8.270 53.009 34.495 1.00 47.01 C +ANISOU 3622 CG1 VAL C 222 6418 5065 6380 -420 283 -841 C +ATOM 3623 CG2 VAL C 222 8.944 51.272 32.832 1.00 42.36 C +ANISOU 3623 CG2 VAL C 222 5722 4520 5852 -511 266 -588 C +ATOM 3624 N PHE C 223 5.448 54.191 33.473 1.00 54.48 N +ANISOU 3624 N PHE C 223 7162 6019 7520 -253 488 -925 N +ATOM 3625 CA PHE C 223 4.880 55.423 33.994 1.00 52.41 C +ANISOU 3625 CA PHE C 223 6892 5681 7341 -151 499 -1100 C +ATOM 3626 C PHE C 223 5.391 55.648 35.409 1.00 53.91 C +ANISOU 3626 C PHE C 223 7207 5891 7387 -160 482 -1265 C +ATOM 3627 O PHE C 223 5.143 54.844 36.308 1.00 55.81 O +ANISOU 3627 O PHE C 223 7506 6293 7406 -200 568 -1299 O +ATOM 3628 CB PHE C 223 3.351 55.372 33.975 1.00 49.35 C +ANISOU 3628 CB PHE C 223 6399 5392 6958 -75 638 -1164 C +ATOM 3629 CG PHE C 223 2.695 56.652 34.415 1.00 54.21 C +ANISOU 3629 CG PHE C 223 6977 5920 7702 55 648 -1366 C +ATOM 3630 CD1 PHE C 223 2.544 57.709 33.533 1.00 52.92 C +ANISOU 3630 CD1 PHE C 223 6738 5571 7798 139 552 -1339 C +ATOM 3631 CD2 PHE C 223 2.224 56.794 35.711 1.00 56.97 C +ANISOU 3631 CD2 PHE C 223 7363 6372 7912 94 752 -1584 C +ATOM 3632 CE1 PHE C 223 1.938 58.885 33.937 1.00 54.61 C +ANISOU 3632 CE1 PHE C 223 6910 5669 8169 276 545 -1537 C +ATOM 3633 CE2 PHE C 223 1.618 57.967 36.120 1.00 53.73 C +ANISOU 3633 CE2 PHE C 223 6903 5877 7635 229 765 -1810 C +ATOM 3634 CZ PHE C 223 1.475 59.013 35.231 1.00 52.36 C +ANISOU 3634 CZ PHE C 223 6650 5484 7761 328 656 -1792 C +ATOM 3635 N GLU C 224 6.108 56.749 35.595 1.00 54.12 N +ANISOU 3635 N GLU C 224 7275 5753 7536 -134 363 -1361 N +ATOM 3636 CA GLU C 224 6.676 57.081 36.891 1.00 54.25 C +ANISOU 3636 CA GLU C 224 7408 5781 7423 -144 318 -1542 C +ATOM 3637 C GLU C 224 6.056 58.367 37.403 1.00 54.61 C +ANISOU 3637 C GLU C 224 7438 5730 7580 -29 331 -1790 C +ATOM 3638 O GLU C 224 5.978 59.352 36.676 1.00 57.38 O +ANISOU 3638 O GLU C 224 7725 5880 8197 32 261 -1792 O +ATOM 3639 CB GLU C 224 8.195 57.227 36.797 1.00 55.91 C +ANISOU 3639 CB GLU C 224 7679 5879 7687 -226 146 -1478 C +ATOM 3640 CG GLU C 224 8.860 57.623 38.105 1.00 64.61 C +ANISOU 3640 CG GLU C 224 8897 6989 8662 -241 65 -1671 C +ATOM 3641 CD GLU C 224 10.365 57.746 37.980 1.00 69.61 C +ANISOU 3641 CD GLU C 224 9561 7518 9370 -327 -114 -1609 C +ATOM 3642 OE1 GLU C 224 10.908 57.358 36.925 1.00 70.77 O +ANISOU 3642 OE1 GLU C 224 9639 7618 9633 -381 -151 -1408 O +ATOM 3643 OE2 GLU C 224 11.005 58.231 38.936 1.00 74.37 O +ANISOU 3643 OE2 GLU C 224 10246 8099 9913 -343 -217 -1774 O +ATOM 3644 N ILE C 225 5.615 58.354 38.655 1.00 55.21 N +ANISOU 3644 N ILE C 225 7573 5950 7453 -2 419 -2001 N +ATOM 3645 CA ILE C 225 5.008 59.534 39.250 1.00 57.29 C +ANISOU 3645 CA ILE C 225 7815 6141 7812 119 446 -2293 C +ATOM 3646 C ILE C 225 5.502 59.765 40.679 1.00 59.62 C +ANISOU 3646 C ILE C 225 8239 6527 7886 96 421 -2534 C +ATOM 3647 O ILE C 225 5.716 58.820 41.437 1.00 62.88 O +ANISOU 3647 O ILE C 225 8743 7161 7988 7 469 -2491 O +ATOM 3648 CB ILE C 225 3.463 59.422 39.231 1.00 58.94 C +ANISOU 3648 CB ILE C 225 7901 6481 8014 217 638 -2374 C +ATOM 3649 CG1 ILE C 225 2.816 60.714 39.732 1.00 59.48 C +ANISOU 3649 CG1 ILE C 225 7916 6446 8239 372 659 -2699 C +ATOM 3650 CG2 ILE C 225 2.992 58.216 40.037 1.00 59.03 C +ANISOU 3650 CG2 ILE C 225 7949 6805 7676 138 808 -2354 C +ATOM 3651 CD1 ILE C 225 1.314 60.647 39.802 1.00 64.11 C +ANISOU 3651 CD1 ILE C 225 8353 7176 8828 479 852 -2816 C +ATOM 3652 N THR C 226 5.700 61.032 41.031 1.00 65.72 N +ANISOU 3652 N THR C 226 9025 7120 8825 172 331 -2783 N +ATOM 3653 CA THR C 226 6.173 61.403 42.360 1.00 71.26 C +ANISOU 3653 CA THR C 226 9845 7898 9333 157 289 -3057 C +ATOM 3654 C THR C 226 5.408 62.616 42.878 1.00 73.01 C +ANISOU 3654 C THR C 226 10017 8033 9690 307 337 -3428 C +ATOM 3655 O THR C 226 4.542 63.154 42.189 1.00 68.78 O +ANISOU 3655 O THR C 226 9352 7362 9421 427 389 -3449 O +ATOM 3656 CB THR C 226 7.682 61.718 42.364 1.00 73.48 C +ANISOU 3656 CB THR C 226 10215 8015 9688 62 59 -3012 C +ATOM 3657 OG1 THR C 226 7.989 62.611 41.286 1.00 77.37 O +ANISOU 3657 OG1 THR C 226 10632 8186 10579 91 -63 -2933 O +ATOM 3658 CG2 THR C 226 8.500 60.443 42.210 1.00 69.88 C +ANISOU 3658 CG2 THR C 226 9817 7697 9037 -75 14 -2721 C +ATOM 3659 N SER C 227 5.731 63.043 44.095 1.00 79.56 N +ANISOU 3659 N SER C 227 10945 8943 10340 304 308 -3731 N +ATOM 3660 CA SER C 227 5.116 64.230 44.678 1.00 78.70 C +ANISOU 3660 CA SER C 227 10793 8745 10363 451 341 -4141 C +ATOM 3661 C SER C 227 6.117 65.375 44.773 1.00 81.29 C +ANISOU 3661 C SER C 227 11181 8764 10940 451 107 -4312 C +ATOM 3662 O SER C 227 5.821 66.424 45.344 1.00 90.42 O +ANISOU 3662 O SER C 227 12324 9842 12188 547 93 -4552 O +ATOM 3663 CB SER C 227 4.543 63.915 46.060 1.00 80.23 C +ANISOU 3663 CB SER C 227 11039 9301 10145 456 518 -4424 C +ATOM 3664 OG SER C 227 3.623 62.840 45.996 1.00 82.77 O +ANISOU 3664 OG SER C 227 11300 9906 10241 430 740 -4252 O +TER 3665 SER C 227 +ATOM 3666 P DC D 4 1.878 29.700 24.894 1.00 86.76 P +ANISOU 3666 P DC D 4 11827 7170 13969 224 657 -1899 P +ATOM 3667 OP1 DC D 4 1.369 29.221 23.592 1.00 89.09 O +ANISOU 3667 OP1 DC D 4 11894 7350 14607 559 348 -2460 O +ATOM 3668 OP2 DC D 4 2.840 28.878 25.650 1.00 88.87 O +ANISOU 3668 OP2 DC D 4 12549 7243 13973 48 952 -1205 O +ATOM 3669 O5' DC D 4 0.650 29.874 25.889 1.00 98.63 O +ANISOU 3669 O5' DC D 4 13020 8655 15799 -357 1058 -2358 O +ATOM 3670 C5' DC D 4 -0.669 29.851 25.404 1.00 96.93 C +ANISOU 3670 C5' DC D 4 12306 8437 16086 -425 1007 -3250 C +ATOM 3671 C4' DC D 4 -1.629 30.448 26.419 1.00 95.07 C +ANISOU 3671 C4' DC D 4 11773 8332 16018 -913 1325 -3612 C +ATOM 3672 O4' DC D 4 -1.599 29.655 27.637 1.00 97.26 O +ANISOU 3672 O4' DC D 4 12313 8303 16339 -1545 1951 -3294 O +ATOM 3673 C3' DC D 4 -1.299 31.868 26.857 1.00 90.23 C +ANISOU 3673 C3' DC D 4 11199 8093 14992 -769 1159 -3315 C +ATOM 3674 O3' DC D 4 -1.931 32.802 25.991 1.00 89.50 O +ANISOU 3674 O3' DC D 4 10765 8280 14962 -320 709 -3911 O +ATOM 3675 C2' DC D 4 -1.909 31.906 28.254 1.00 92.22 C +ANISOU 3675 C2' DC D 4 11362 8306 15370 -1445 1695 -3366 C +ATOM 3676 C1' DC D 4 -1.567 30.512 28.765 1.00 96.40 C +ANISOU 3676 C1' DC D 4 12252 8396 15980 -1824 2157 -3015 C +ATOM 3677 N1 DC D 4 -0.214 30.411 29.411 1.00 96.26 N +ANISOU 3677 N1 DC D 4 12805 8350 15418 -1761 2248 -2057 N +ATOM 3678 C2 DC D 4 -0.012 30.915 30.703 1.00 96.58 C +ANISOU 3678 C2 DC D 4 13015 8505 15177 -2093 2559 -1663 C +ATOM 3679 O2 DC D 4 -0.950 31.464 31.294 1.00 96.59 O +ANISOU 3679 O2 DC D 4 12705 8608 15385 -2459 2766 -2076 O +ATOM 3680 N3 DC D 4 1.221 30.807 31.263 1.00 96.30 N +ANISOU 3680 N3 DC D 4 13455 8501 14635 -1971 2600 -876 N +ATOM 3681 C4 DC D 4 2.209 30.210 30.593 1.00 95.98 C +ANISOU 3681 C4 DC D 4 13706 8378 14385 -1559 2360 -498 C +ATOM 3682 N4 DC D 4 3.404 30.119 31.185 1.00 97.01 N +ANISOU 3682 N4 DC D 4 14252 8600 14007 -1414 2386 194 N +ATOM 3683 C5 DC D 4 2.017 29.682 29.287 1.00 93.34 C +ANISOU 3683 C5 DC D 4 13224 7896 14344 -1254 2068 -855 C +ATOM 3684 C6 DC D 4 0.804 29.797 28.747 1.00 95.10 C +ANISOU 3684 C6 DC D 4 12989 8088 15055 -1365 2024 -1620 C +ATOM 3685 P DC D 5 -1.384 34.313 25.890 1.00 83.03 P +ANISOU 3685 P DC D 5 10116 7798 13633 88 395 -3604 P +ATOM 3686 OP1 DC D 5 -2.399 35.138 25.199 1.00106.98 O +ANISOU 3686 OP1 DC D 5 12792 11053 16804 475 36 -4383 O +ATOM 3687 OP2 DC D 5 -0.008 34.247 25.353 1.00 79.38 O +ANISOU 3687 OP2 DC D 5 10113 7296 12753 454 206 -2921 O +ATOM 3688 O5' DC D 5 -1.285 34.802 27.409 1.00 90.80 O +ANISOU 3688 O5' DC D 5 11171 8883 14446 -472 827 -3215 O +ATOM 3689 C5' DC D 5 -2.314 35.605 27.963 1.00 88.84 C +ANISOU 3689 C5' DC D 5 10569 8837 14349 -686 912 -3714 C +ATOM 3690 C4' DC D 5 -2.060 35.880 29.437 1.00 85.67 C +ANISOU 3690 C4' DC D 5 10301 8484 13765 -1242 1360 -3240 C +ATOM 3691 O4' DC D 5 -1.362 34.765 30.037 1.00 88.07 O +ANISOU 3691 O4' DC D 5 10932 8508 14022 -1573 1717 -2682 O +ATOM 3692 C3' DC D 5 -1.168 37.070 29.730 1.00 82.88 C +ANISOU 3692 C3' DC D 5 10225 8396 12869 -1055 1249 -2690 C +ATOM 3693 O3' DC D 5 -1.921 38.281 29.666 1.00 83.21 O +ANISOU 3693 O3' DC D 5 10026 8693 12896 -903 1076 -3148 O +ATOM 3694 C2' DC D 5 -0.720 36.760 31.157 1.00 84.40 C +ANISOU 3694 C2' DC D 5 10606 8544 12918 -1617 1731 -2141 C +ATOM 3695 C1' DC D 5 -0.598 35.233 31.139 1.00 88.16 C +ANISOU 3695 C1' DC D 5 11227 8648 13623 -1801 1951 -2031 C +ATOM 3696 N1 DC D 5 0.811 34.754 30.996 1.00 86.41 N +ANISOU 3696 N1 DC D 5 11453 8368 13012 -1559 1878 -1313 N +ATOM 3697 C2 DC D 5 1.664 34.767 32.108 1.00 87.35 C +ANISOU 3697 C2 DC D 5 11884 8561 12743 -1774 2144 -675 C +ATOM 3698 O2 DC D 5 1.233 35.172 33.195 1.00 89.14 O +ANISOU 3698 O2 DC D 5 12041 8870 12958 -2179 2452 -677 O +ATOM 3699 N3 DC D 5 2.941 34.334 31.961 1.00 85.56 N +ANISOU 3699 N3 DC D 5 12014 8341 12155 -1503 2042 -108 N +ATOM 3700 C4 DC D 5 3.369 33.906 30.773 1.00 83.62 C +ANISOU 3700 C4 DC D 5 11830 8004 11938 -1079 1719 -133 C +ATOM 3701 N4 DC D 5 4.636 33.488 30.679 1.00 83.18 N +ANISOU 3701 N4 DC D 5 12096 7987 11521 -822 1628 391 N +ATOM 3702 C5 DC D 5 2.517 33.886 29.629 1.00 82.32 C +ANISOU 3702 C5 DC D 5 11384 7732 12162 -870 1460 -736 C +ATOM 3703 C6 DC D 5 1.259 34.316 29.784 1.00 84.17 C +ANISOU 3703 C6 DC D 5 11254 7989 12736 -1099 1537 -1323 C +ATOM 3704 P DC D 6 -1.189 39.686 29.380 1.00 85.67 P +ANISOU 3704 P DC D 6 10634 9245 12671 -489 834 -2829 P +ATOM 3705 OP1 DC D 6 -2.213 40.750 29.472 1.00 92.31 O +ANISOU 3705 OP1 DC D 6 11218 10289 13568 -397 727 -3389 O +ATOM 3706 OP2 DC D 6 -0.402 39.532 28.136 1.00 80.53 O +ANISOU 3706 OP2 DC D 6 10280 8501 11816 71 497 -2656 O +ATOM 3707 O5' DC D 6 -0.158 39.856 30.594 1.00 79.46 O +ANISOU 3707 O5' DC D 6 10112 8549 11531 -911 1198 -2065 O +ATOM 3708 C5' DC D 6 -0.639 40.108 31.913 1.00 79.34 C +ANISOU 3708 C5' DC D 6 9928 8634 11584 -1453 1560 -2058 C +ATOM 3709 C4' DC D 6 0.501 40.487 32.840 1.00 76.27 C +ANISOU 3709 C4' DC D 6 9829 8405 10747 -1665 1788 -1352 C +ATOM 3710 O4' DC D 6 1.260 39.301 33.188 1.00 79.94 O +ANISOU 3710 O4' DC D 6 10506 8700 11169 -1820 1969 -888 O +ATOM 3711 C3' DC D 6 1.521 41.434 32.238 1.00 72.02 C +ANISOU 3711 C3' DC D 6 9573 8046 9746 -1266 1571 -1061 C +ATOM 3712 O3' DC D 6 1.093 42.779 32.407 1.00 72.92 O +ANISOU 3712 O3' DC D 6 9632 8358 9715 -1233 1551 -1279 O +ATOM 3713 C2' DC D 6 2.763 41.137 33.071 1.00 69.82 C +ANISOU 3713 C2' DC D 6 9520 7879 9131 -1491 1804 -402 C +ATOM 3714 C1' DC D 6 2.635 39.631 33.315 1.00 77.13 C +ANISOU 3714 C1' DC D 6 10446 8533 10327 -1672 1939 -313 C +ATOM 3715 N1 DC D 6 3.430 38.794 32.358 1.00 81.39 N +ANISOU 3715 N1 DC D 6 11191 8920 10813 -1305 1721 -121 N +ATOM 3716 C2 DC D 6 4.787 38.555 32.610 1.00 82.72 C +ANISOU 3716 C2 DC D 6 11624 9221 10586 -1221 1751 425 C +ATOM 3717 O2 DC D 6 5.308 39.044 33.620 1.00 82.02 O +ANISOU 3717 O2 DC D 6 11583 9387 10195 -1439 1950 723 O +ATOM 3718 N3 DC D 6 5.494 37.795 31.736 1.00 80.99 N +ANISOU 3718 N3 DC D 6 11574 8876 10322 -882 1547 571 N +ATOM 3719 C4 DC D 6 4.897 37.286 30.658 1.00 81.28 C +ANISOU 3719 C4 DC D 6 11542 8651 10691 -645 1330 222 C +ATOM 3720 N4 DC D 6 5.636 36.543 29.826 1.00 83.54 N +ANISOU 3720 N4 DC D 6 12004 8820 10918 -317 1136 388 N +ATOM 3721 C5 DC D 6 3.516 37.516 30.384 1.00 80.53 C +ANISOU 3721 C5 DC D 6 11165 8436 10995 -712 1287 -359 C +ATOM 3722 C6 DC D 6 2.828 38.266 31.252 1.00 80.83 C +ANISOU 3722 C6 DC D 6 11022 8615 11074 -1038 1482 -522 C +ATOM 3723 P DC D 7 1.377 43.866 31.260 1.00 64.13 P +ANISOU 3723 P DC D 7 8787 7285 8293 -666 1252 -1409 P +ATOM 3724 OP1 DC D 7 0.474 45.014 31.494 1.00 64.80 O +ANISOU 3724 OP1 DC D 7 8766 7495 8361 -638 1237 -1802 O +ATOM 3725 OP2 DC D 7 1.351 43.164 29.956 1.00 64.97 O +ANISOU 3725 OP2 DC D 7 8966 7176 8543 -201 929 -1609 O +ATOM 3726 O5' DC D 7 2.881 44.324 31.547 1.00 69.03 O +ANISOU 3726 O5' DC D 7 9741 8066 8421 -740 1425 -804 O +ATOM 3727 C5' DC D 7 3.187 45.072 32.718 1.00 66.67 C +ANISOU 3727 C5' DC D 7 9420 8017 7893 -1137 1727 -563 C +ATOM 3728 C4' DC D 7 4.669 44.988 33.026 1.00 65.57 C +ANISOU 3728 C4' DC D 7 9475 8052 7387 -1240 1884 -44 C +ATOM 3729 O4' DC D 7 5.053 43.600 33.132 1.00 67.68 O +ANISOU 3729 O4' DC D 7 9695 8222 7799 -1286 1863 192 O +ATOM 3730 C3' DC D 7 5.580 45.539 31.950 1.00 63.98 C +ANISOU 3730 C3' DC D 7 9615 7837 6857 -867 1777 14 C +ATOM 3731 O3' DC D 7 5.705 46.946 32.085 1.00 58.78 O +ANISOU 3731 O3' DC D 7 9131 7311 5891 -909 1940 -49 O +ATOM 3732 C2' DC D 7 6.894 44.825 32.258 1.00 66.81 C +ANISOU 3732 C2' DC D 7 10005 8354 7024 -976 1872 439 C +ATOM 3733 C1' DC D 7 6.415 43.459 32.768 1.00 70.83 C +ANISOU 3733 C1' DC D 7 10304 8735 7874 -1120 1838 518 C +ATOM 3734 N1 DC D 7 6.517 42.382 31.739 1.00 78.48 N +ANISOU 3734 N1 DC D 7 11351 9443 9026 -788 1588 492 N +ATOM 3735 C2 DC D 7 7.659 41.576 31.689 1.00 80.76 C +ANISOU 3735 C2 DC D 7 11750 9796 9141 -701 1570 837 C +ATOM 3736 O2 DC D 7 8.569 41.766 32.507 1.00 83.74 O +ANISOU 3736 O2 DC D 7 12134 10478 9207 -879 1746 1123 O +ATOM 3737 N3 DC D 7 7.736 40.606 30.744 1.00 80.40 N +ANISOU 3737 N3 DC D 7 11782 9502 9265 -398 1344 810 N +ATOM 3738 C4 DC D 7 6.733 40.434 29.880 1.00 80.45 C +ANISOU 3738 C4 DC D 7 11739 9225 9603 -192 1143 439 C +ATOM 3739 N4 DC D 7 6.854 39.465 28.966 1.00 79.14 N +ANISOU 3739 N4 DC D 7 11640 8831 9598 99 928 410 N +ATOM 3740 C5 DC D 7 5.563 41.247 29.915 1.00 80.79 C +ANISOU 3740 C5 DC D 7 11644 9235 9817 -243 1136 40 C +ATOM 3741 C6 DC D 7 5.498 42.199 30.850 1.00 79.96 C +ANISOU 3741 C6 DC D 7 11485 9358 9537 -539 1360 93 C +TER 3742 DC D 7 +ATOM 3743 N MET E 1 18.411 53.263 36.955 1.00 43.08 N +ANISOU 3743 N MET E 1 6112 4609 5649 -1687 -129 -756 N +ATOM 3744 CA MET E 1 19.408 52.257 36.611 1.00 46.11 C +ANISOU 3744 CA MET E 1 6490 5035 5996 -1597 -258 -630 C +ATOM 3745 C MET E 1 20.465 52.825 35.672 1.00 47.83 C +ANISOU 3745 C MET E 1 6586 5297 6291 -1516 -282 -596 C +ATOM 3746 O MET E 1 20.172 53.674 34.831 1.00 51.99 O +ANISOU 3746 O MET E 1 7084 5749 6921 -1494 -202 -630 O +ATOM 3747 CB MET E 1 18.742 51.040 35.965 1.00 47.36 C +ANISOU 3747 CB MET E 1 6719 5124 6150 -1503 -278 -573 C +ATOM 3748 CG MET E 1 18.373 49.936 36.939 1.00 55.77 C +ANISOU 3748 CG MET E 1 7973 6169 7047 -1608 -321 -543 C +ATOM 3749 SD MET E 1 17.949 48.389 36.114 1.00 63.50 S +ANISOU 3749 SD MET E 1 9132 7024 7973 -1531 -364 -461 S +ATOM 3750 CE MET E 1 19.567 47.829 35.591 1.00 56.14 C +ANISOU 3750 CE MET E 1 8204 6086 7039 -1247 -525 -342 C +ATOM 3751 N ARG E 2 21.698 52.354 35.823 1.00 42.87 N +ANISOU 3751 N ARG E 2 5891 4813 5586 -1470 -397 -536 N +ATOM 3752 CA ARG E 2 22.770 52.701 34.900 1.00 40.09 C +ANISOU 3752 CA ARG E 2 5380 4585 5266 -1414 -416 -518 C +ATOM 3753 C ARG E 2 23.339 51.430 34.286 1.00 42.01 C +ANISOU 3753 C ARG E 2 5580 4900 5482 -1169 -525 -438 C +ATOM 3754 O ARG E 2 23.902 50.588 34.985 1.00 44.16 O +ANISOU 3754 O ARG E 2 5875 5270 5632 -1065 -652 -397 O +ATOM 3755 CB ARG E 2 23.864 53.502 35.608 1.00 37.60 C +ANISOU 3755 CB ARG E 2 4955 4479 4851 -1594 -441 -568 C +ATOM 3756 CG ARG E 2 23.361 54.780 36.262 1.00 30.52 C +ANISOU 3756 CG ARG E 2 4167 3472 3956 -1839 -328 -663 C +ATOM 3757 CD ARG E 2 24.433 55.443 37.112 1.00 46.32 C +ANISOU 3757 CD ARG E 2 6091 5695 5815 -2074 -358 -723 C +ATOM 3758 NE ARG E 2 25.508 56.012 36.304 1.00 44.58 N +ANISOU 3758 NE ARG E 2 5719 5653 5565 -2180 -342 -739 N +ATOM 3759 CZ ARG E 2 26.699 55.444 36.142 1.00 48.51 C +ANISOU 3759 CZ ARG E 2 5969 6497 5965 -2118 -452 -718 C +ATOM 3760 NH1 ARG E 2 27.620 56.029 35.389 1.00 58.05 N +ANISOU 3760 NH1 ARG E 2 7020 7914 7123 -2271 -409 -760 N +ATOM 3761 NH2 ARG E 2 26.970 54.292 36.740 1.00 48.01 N +ANISOU 3761 NH2 ARG E 2 5828 6585 5830 -1899 -605 -663 N +ATOM 3762 N ILE E 3 23.176 51.292 32.974 1.00 41.61 N +ANISOU 3762 N ILE E 3 5497 4787 5527 -1056 -481 -419 N +ATOM 3763 CA ILE E 3 23.530 50.060 32.283 1.00 40.74 C +ANISOU 3763 CA ILE E 3 5396 4691 5394 -806 -561 -363 C +ATOM 3764 C ILE E 3 24.562 50.290 31.185 1.00 44.66 C +ANISOU 3764 C ILE E 3 5680 5382 5906 -718 -553 -379 C +ATOM 3765 O ILE E 3 24.440 51.224 30.392 1.00 46.10 O +ANISOU 3765 O ILE E 3 5801 5551 6165 -847 -449 -404 O +ATOM 3766 CB ILE E 3 22.280 49.401 31.660 1.00 43.88 C +ANISOU 3766 CB ILE E 3 5971 4850 5852 -760 -511 -340 C +ATOM 3767 CG1 ILE E 3 21.197 49.200 32.722 1.00 42.30 C +ANISOU 3767 CG1 ILE E 3 5950 4518 5605 -905 -492 -351 C +ATOM 3768 CG2 ILE E 3 22.638 48.084 30.984 1.00 42.18 C +ANISOU 3768 CG2 ILE E 3 5841 4598 5587 -514 -587 -294 C +ATOM 3769 CD1 ILE E 3 19.788 49.308 32.186 1.00 44.27 C +ANISOU 3769 CD1 ILE E 3 6253 4644 5925 -989 -387 -388 C +ATOM 3770 N VAL E 4 25.580 49.437 31.146 1.00 44.62 N +ANISOU 3770 N VAL E 4 5578 5569 5805 -486 -665 -370 N +ATOM 3771 CA VAL E 4 26.493 49.400 30.013 1.00 44.13 C +ANISOU 3771 CA VAL E 4 5302 5728 5737 -361 -650 -405 C +ATOM 3772 C VAL E 4 26.122 48.225 29.116 1.00 49.24 C +ANISOU 3772 C VAL E 4 6099 6201 6408 -92 -667 -373 C +ATOM 3773 O VAL E 4 25.964 47.100 29.585 1.00 52.20 O +ANISOU 3773 O VAL E 4 6680 6440 6713 119 -768 -332 O +ATOM 3774 CB VAL E 4 27.967 49.289 30.460 1.00 43.02 C +ANISOU 3774 CB VAL E 4 4885 6012 5448 -244 -757 -458 C +ATOM 3775 CG1 VAL E 4 28.825 48.690 29.353 1.00 43.75 C +ANISOU 3775 CG1 VAL E 4 4785 6340 5499 25 -770 -506 C +ATOM 3776 CG2 VAL E 4 28.498 50.653 30.863 1.00 39.84 C +ANISOU 3776 CG2 VAL E 4 4284 5848 5006 -603 -691 -523 C +ATOM 3777 N ALA E 5 25.975 48.492 27.824 1.00 46.15 N +ANISOU 3777 N ALA E 5 5651 5794 6091 -119 -567 -391 N +ATOM 3778 CA ALA E 5 25.624 47.448 26.871 1.00 41.62 C +ANISOU 3778 CA ALA E 5 5221 5064 5527 97 -567 -379 C +ATOM 3779 C ALA E 5 26.524 47.512 25.649 1.00 39.69 C +ANISOU 3779 C ALA E 5 4753 5066 5261 200 -518 -440 C +ATOM 3780 O ALA E 5 27.060 48.567 25.318 1.00 34.68 O +ANISOU 3780 O ALA E 5 3895 4654 4627 -1 -442 -477 O +ATOM 3781 CB ALA E 5 24.170 47.569 26.462 1.00 31.44 C +ANISOU 3781 CB ALA E 5 4136 3475 4335 -63 -486 -342 C +ATOM 3782 N ALA E 6 26.681 46.377 24.978 1.00 40.15 N +ANISOU 3782 N ALA E 6 4904 5076 5274 491 -550 -460 N +ATOM 3783 CA ALA E 6 27.535 46.310 23.803 1.00 48.00 C +ANISOU 3783 CA ALA E 6 5684 6329 6225 619 -496 -541 C +ATOM 3784 C ALA E 6 26.889 45.502 22.688 1.00 48.82 C +ANISOU 3784 C ALA E 6 6007 6194 6349 736 -449 -542 C +ATOM 3785 O ALA E 6 26.248 44.480 22.935 1.00 51.13 O +ANISOU 3785 O ALA E 6 6618 6187 6621 877 -508 -509 O +ATOM 3786 CB ALA E 6 28.890 45.717 24.167 1.00 36.41 C +ANISOU 3786 CB ALA E 6 4001 5213 4619 955 -600 -624 C +ATOM 3787 N ASP E 7 27.062 45.971 21.457 1.00 49.72 N +ANISOU 3787 N ASP E 7 5975 6444 6474 637 -339 -584 N +ATOM 3788 CA ASP E 7 26.599 45.239 20.287 1.00 53.52 C +ANISOU 3788 CA ASP E 7 6625 6765 6946 739 -289 -606 C +ATOM 3789 C ASP E 7 27.523 45.458 19.096 1.00 54.72 C +ANISOU 3789 C ASP E 7 6521 7244 7028 779 -196 -703 C +ATOM 3790 O ASP E 7 28.151 46.509 18.964 1.00 53.79 O +ANISOU 3790 O ASP E 7 6131 7417 6890 565 -131 -724 O +ATOM 3791 CB ASP E 7 25.175 45.656 19.917 1.00 59.13 C +ANISOU 3791 CB ASP E 7 7530 7188 7749 467 -236 -524 C +ATOM 3792 CG ASP E 7 24.606 44.835 18.775 1.00 68.62 C +ANISOU 3792 CG ASP E 7 8923 8233 8918 537 -197 -551 C +ATOM 3793 OD1 ASP E 7 24.907 43.625 18.703 1.00 75.27 O +ANISOU 3793 OD1 ASP E 7 9929 8993 9678 805 -238 -608 O +ATOM 3794 OD2 ASP E 7 23.873 45.401 17.939 1.00 69.51 O +ANISOU 3794 OD2 ASP E 7 9044 8300 9065 335 -132 -518 O +ATOM 3795 N THR E 8 27.599 44.455 18.230 1.00 53.26 N +ANISOU 3795 N THR E 8 6450 7007 6780 1022 -179 -773 N +ATOM 3796 CA THR E 8 28.279 44.602 16.954 1.00 50.55 C +ANISOU 3796 CA THR E 8 5899 6949 6357 1031 -68 -875 C +ATOM 3797 C THR E 8 27.224 44.671 15.859 1.00 51.00 C +ANISOU 3797 C THR E 8 6168 6760 6450 832 10 -825 C +ATOM 3798 O THR E 8 26.312 43.846 15.817 1.00 54.34 O +ANISOU 3798 O THR E 8 6908 6847 6892 901 -29 -795 O +ATOM 3799 CB THR E 8 29.250 43.442 16.686 1.00 50.92 C +ANISOU 3799 CB THR E 8 5891 7180 6278 1495 -96 -1027 C +ATOM 3800 OG1 THR E 8 30.211 43.367 17.747 1.00 59.02 O +ANISOU 3800 OG1 THR E 8 6698 8477 7249 1725 -199 -1072 O +ATOM 3801 CG2 THR E 8 29.974 43.644 15.365 1.00 46.21 C +ANISOU 3801 CG2 THR E 8 5038 6940 5580 1477 42 -1157 C +ATOM 3802 N GLY E 9 27.348 45.651 14.973 1.00 48.72 N +ANISOU 3802 N GLY E 9 5723 6650 6140 561 116 -816 N +ATOM 3803 CA GLY E 9 26.366 45.837 13.924 1.00 45.53 C +ANISOU 3803 CA GLY E 9 5500 6053 5745 376 170 -757 C +ATOM 3804 C GLY E 9 26.885 46.651 12.759 1.00 46.95 C +ANISOU 3804 C GLY E 9 5519 6494 5827 163 291 -781 C +ATOM 3805 O GLY E 9 27.950 47.264 12.837 1.00 52.42 O +ANISOU 3805 O GLY E 9 5948 7523 6447 70 351 -837 O +ATOM 3806 N GLY E 10 26.122 46.655 11.673 1.00 43.82 N +ANISOU 3806 N GLY E 10 5287 5963 5399 54 329 -742 N +ATOM 3807 CA GLY E 10 26.525 47.336 10.459 1.00 43.24 C +ANISOU 3807 CA GLY E 10 5132 6101 5198 -159 443 -753 C +ATOM 3808 C GLY E 10 27.392 46.414 9.630 1.00 48.48 C +ANISOU 3808 C GLY E 10 5674 7018 5728 40 529 -929 C +ATOM 3809 O GLY E 10 28.348 45.828 10.139 1.00 59.82 O +ANISOU 3809 O GLY E 10 6920 8672 7138 293 528 -1060 O +ATOM 3810 N ALA E 11 27.064 46.282 8.351 1.00 44.40 N +ANISOU 3810 N ALA E 11 5266 6494 5110 -47 596 -943 N +ATOM 3811 CA ALA E 11 27.785 45.363 7.483 1.00 48.00 C +ANISOU 3811 CA ALA E 11 5642 7169 5426 153 690 -1130 C +ATOM 3812 C ALA E 11 28.030 45.962 6.107 1.00 55.28 C +ANISOU 3812 C ALA E 11 6516 8315 6173 -123 824 -1146 C +ATOM 3813 O ALA E 11 27.166 46.635 5.546 1.00 58.07 O +ANISOU 3813 O ALA E 11 7060 8491 6514 -385 805 -996 O +ATOM 3814 CB ALA E 11 27.026 44.051 7.357 1.00 45.44 C +ANISOU 3814 CB ALA E 11 5606 6531 5130 407 630 -1176 C +ATOM 3815 N VAL E 12 29.220 45.713 5.571 1.00 53.20 N +ANISOU 3815 N VAL E 12 5994 8468 5752 -49 954 -1335 N +ATOM 3816 CA VAL E 12 29.509 46.048 4.187 1.00 53.87 C +ANISOU 3816 CA VAL E 12 6047 8792 5630 -293 1101 -1387 C +ATOM 3817 C VAL E 12 28.794 45.056 3.283 1.00 54.84 C +ANISOU 3817 C VAL E 12 6428 8699 5710 -139 1100 -1439 C +ATOM 3818 O VAL E 12 28.936 43.844 3.445 1.00 55.15 O +ANISOU 3818 O VAL E 12 6511 8674 5768 241 1083 -1590 O +ATOM 3819 CB VAL E 12 31.023 46.026 3.896 1.00 58.19 C +ANISOU 3819 CB VAL E 12 6190 9930 5990 -265 1261 -1616 C +ATOM 3820 CG1 VAL E 12 31.280 46.039 2.395 1.00 52.40 C +ANISOU 3820 CG1 VAL E 12 5451 9439 5018 -457 1427 -1715 C +ATOM 3821 CG2 VAL E 12 31.708 47.204 4.568 1.00 58.58 C +ANISOU 3821 CG2 VAL E 12 5997 10248 6012 -581 1290 -1565 C +ATOM 3822 N LEU E 13 28.019 45.570 2.336 1.00 54.02 N +ANISOU 3822 N LEU E 13 6530 8470 5525 -434 1109 -1313 N +ATOM 3823 CA LEU E 13 27.293 44.710 1.416 1.00 57.58 C +ANISOU 3823 CA LEU E 13 7223 8750 5904 -360 1107 -1361 C +ATOM 3824 C LEU E 13 27.916 44.786 0.033 1.00 61.05 C +ANISOU 3824 C LEU E 13 7589 9521 6088 -523 1277 -1483 C +ATOM 3825 O LEU E 13 28.425 45.832 -0.371 1.00 63.18 O +ANISOU 3825 O LEU E 13 7737 10040 6227 -843 1364 -1426 O +ATOM 3826 CB LEU E 13 25.816 45.108 1.345 1.00 55.35 C +ANISOU 3826 CB LEU E 13 7221 8114 5694 -540 964 -1143 C +ATOM 3827 CG LEU E 13 25.040 45.292 2.650 1.00 54.90 C +ANISOU 3827 CG LEU E 13 7232 7762 5866 -470 805 -1002 C +ATOM 3828 CD1 LEU E 13 23.625 45.772 2.358 1.00 49.67 C +ANISOU 3828 CD1 LEU E 13 6780 6875 5217 -644 681 -821 C +ATOM 3829 CD2 LEU E 13 25.012 44.006 3.458 1.00 56.17 C +ANISOU 3829 CD2 LEU E 13 7455 7754 6133 -142 760 -1125 C +ATOM 3830 N ASP E 14 27.875 43.675 -0.692 1.00 65.25 N +ANISOU 3830 N ASP E 14 8230 10042 6520 -330 1334 -1657 N +ATOM 3831 CA ASP E 14 28.243 43.686 -2.099 1.00 70.81 C +ANISOU 3831 CA ASP E 14 8920 11020 6964 -506 1491 -1769 C +ATOM 3832 C ASP E 14 27.055 44.163 -2.924 1.00 71.31 C +ANISOU 3832 C ASP E 14 9274 10868 6953 -822 1414 -1571 C +ATOM 3833 O ASP E 14 26.015 44.526 -2.374 1.00 70.52 O +ANISOU 3833 O ASP E 14 9334 10456 7004 -878 1244 -1366 O +ATOM 3834 CB ASP E 14 28.733 42.305 -2.559 1.00 77.41 C +ANISOU 3834 CB ASP E 14 9772 11942 7700 -147 1594 -2063 C +ATOM 3835 CG ASP E 14 27.734 41.191 -2.281 1.00 83.49 C +ANISOU 3835 CG ASP E 14 10903 12245 8575 82 1470 -2069 C +ATOM 3836 OD1 ASP E 14 26.511 41.441 -2.291 1.00 85.64 O +ANISOU 3836 OD1 ASP E 14 11410 12218 8910 -138 1342 -1873 O +ATOM 3837 OD2 ASP E 14 28.185 40.048 -2.054 1.00 85.19 O +ANISOU 3837 OD2 ASP E 14 11180 12405 8782 485 1504 -2283 O +ATOM 3838 N GLU E 15 27.208 44.161 -4.241 1.00 75.39 N +ANISOU 3838 N GLU E 15 9842 11586 7218 -1011 1533 -1644 N +ATOM 3839 CA GLU E 15 26.194 44.725 -5.119 1.00 78.08 C +ANISOU 3839 CA GLU E 15 10436 11796 7434 -1316 1452 -1451 C +ATOM 3840 C GLU E 15 24.969 43.818 -5.225 1.00 75.59 C +ANISOU 3840 C GLU E 15 10378 11168 7173 -1195 1320 -1448 C +ATOM 3841 O GLU E 15 23.961 44.189 -5.827 1.00 76.66 O +ANISOU 3841 O GLU E 15 10703 11204 7221 -1395 1209 -1291 O +ATOM 3842 CB GLU E 15 26.801 44.978 -6.499 1.00 87.33 C +ANISOU 3842 CB GLU E 15 11592 13307 8283 -1580 1629 -1539 C +ATOM 3843 CG GLU E 15 28.078 45.807 -6.437 1.00 97.42 C +ANISOU 3843 CG GLU E 15 12599 14965 9452 -1772 1793 -1583 C +ATOM 3844 CD GLU E 15 28.608 46.188 -7.804 1.00107.72 C +ANISOU 3844 CD GLU E 15 13916 16614 10398 -2123 1974 -1646 C +ATOM 3845 OE1 GLU E 15 27.858 46.060 -8.794 1.00111.28 O +ANISOU 3845 OE1 GLU E 15 14630 16959 10692 -2251 1933 -1582 O +ATOM 3846 OE2 GLU E 15 29.780 46.614 -7.886 1.00109.52 O +ANISOU 3846 OE2 GLU E 15 13880 17255 10477 -2297 2160 -1768 O +ATOM 3847 N SER E 16 25.061 42.630 -4.633 1.00 74.44 N +ANISOU 3847 N SER E 16 10255 10882 7145 -875 1326 -1626 N +ATOM 3848 CA SER E 16 23.916 41.736 -4.510 1.00 73.44 C +ANISOU 3848 CA SER E 16 10398 10438 7069 -809 1206 -1632 C +ATOM 3849 C SER E 16 23.329 41.776 -3.099 1.00 67.83 C +ANISOU 3849 C SER E 16 9698 9453 6623 -689 1049 -1506 C +ATOM 3850 O SER E 16 22.560 40.895 -2.715 1.00 65.90 O +ANISOU 3850 O SER E 16 9659 8950 6430 -615 973 -1548 O +ATOM 3851 CB SER E 16 24.311 40.304 -4.874 1.00 80.28 C +ANISOU 3851 CB SER E 16 11413 11258 7832 -571 1323 -1920 C +ATOM 3852 OG SER E 16 23.221 39.415 -4.701 1.00 83.63 O +ANISOU 3852 OG SER E 16 12146 11354 8274 -574 1220 -1936 O +ATOM 3853 N PHE E 17 23.721 42.795 -2.336 1.00 64.91 N +ANISOU 3853 N PHE E 17 9122 9148 6391 -706 1017 -1364 N +ATOM 3854 CA PHE E 17 23.232 43.029 -0.975 1.00 59.63 C +ANISOU 3854 CA PHE E 17 8434 8258 5963 -619 878 -1234 C +ATOM 3855 C PHE E 17 23.590 41.903 -0.003 1.00 64.12 C +ANISOU 3855 C PHE E 17 9046 8663 6654 -300 882 -1384 C +ATOM 3856 O PHE E 17 23.016 41.805 1.082 1.00 66.72 O +ANISOU 3856 O PHE E 17 9434 8768 7150 -240 767 -1301 O +ATOM 3857 CB PHE E 17 21.716 43.244 -0.976 1.00 52.17 C +ANISOU 3857 CB PHE E 17 7649 7129 5044 -780 713 -1076 C +ATOM 3858 CG PHE E 17 21.275 44.438 -1.771 1.00 52.34 C +ANISOU 3858 CG PHE E 17 7667 7270 4950 -1019 659 -894 C +ATOM 3859 CD1 PHE E 17 21.472 45.721 -1.289 1.00 51.20 C +ANISOU 3859 CD1 PHE E 17 7430 7139 4885 -1084 617 -718 C +ATOM 3860 CD2 PHE E 17 20.660 44.275 -3.001 1.00 53.72 C +ANISOU 3860 CD2 PHE E 17 7976 7525 4910 -1178 642 -898 C +ATOM 3861 CE1 PHE E 17 21.067 46.821 -2.023 1.00 53.83 C +ANISOU 3861 CE1 PHE E 17 7850 7522 5080 -1273 554 -539 C +ATOM 3862 CE2 PHE E 17 20.252 45.369 -3.738 1.00 47.61 C +ANISOU 3862 CE2 PHE E 17 7245 6846 4000 -1360 568 -715 C +ATOM 3863 CZ PHE E 17 20.455 46.643 -3.249 1.00 49.80 C +ANISOU 3863 CZ PHE E 17 7475 7093 4353 -1393 521 -530 C +ATOM 3864 N GLN E 18 24.536 41.056 -0.395 1.00 62.58 N +ANISOU 3864 N GLN E 18 8843 8581 6353 -78 1012 -1607 N +ATOM 3865 CA GLN E 18 25.059 40.032 0.502 1.00 63.21 C +ANISOU 3865 CA GLN E 18 8990 8513 6513 302 1008 -1750 C +ATOM 3866 C GLN E 18 26.120 40.633 1.415 1.00 62.57 C +ANISOU 3866 C GLN E 18 8575 8650 6547 464 1016 -1737 C +ATOM 3867 O GLN E 18 27.038 41.305 0.944 1.00 65.68 O +ANISOU 3867 O GLN E 18 8677 9424 6854 393 1127 -1784 O +ATOM 3868 CB GLN E 18 25.636 38.856 -0.289 1.00 70.48 C +ANISOU 3868 CB GLN E 18 10067 9461 7253 548 1134 -2016 C +ATOM 3869 CG GLN E 18 24.591 37.993 -0.978 1.00 80.22 C +ANISOU 3869 CG GLN E 18 11707 10412 8362 410 1119 -2066 C +ATOM 3870 CD GLN E 18 23.619 37.359 0.001 1.00 86.51 C +ANISOU 3870 CD GLN E 18 12816 10788 9265 409 983 -1992 C +ATOM 3871 OE1 GLN E 18 22.548 37.902 0.273 1.00 83.74 O +ANISOU 3871 OE1 GLN E 18 12469 10359 8990 112 872 -1810 O +ATOM 3872 NE2 GLN E 18 23.992 36.202 0.537 1.00 92.09 N +ANISOU 3872 NE2 GLN E 18 13804 11234 9953 751 990 -2142 N +ATOM 3873 N PRO E 19 25.993 40.397 2.729 1.00 56.57 N +ANISOU 3873 N PRO E 19 7862 7677 5956 643 903 -1678 N +ATOM 3874 CA PRO E 19 26.946 40.945 3.701 1.00 57.94 C +ANISOU 3874 CA PRO E 19 7720 8064 6229 786 888 -1664 C +ATOM 3875 C PRO E 19 28.359 40.406 3.497 1.00 61.39 C +ANISOU 3875 C PRO E 19 7934 8843 6548 1145 997 -1906 C +ATOM 3876 O PRO E 19 28.546 39.207 3.292 1.00 61.57 O +ANISOU 3876 O PRO E 19 8168 8739 6487 1492 1017 -2082 O +ATOM 3877 CB PRO E 19 26.374 40.494 5.051 1.00 54.10 C +ANISOU 3877 CB PRO E 19 7429 7222 5906 932 738 -1576 C +ATOM 3878 CG PRO E 19 25.490 39.337 4.732 1.00 54.52 C +ANISOU 3878 CG PRO E 19 7916 6906 5894 975 712 -1630 C +ATOM 3879 CD PRO E 19 24.929 39.611 3.374 1.00 53.97 C +ANISOU 3879 CD PRO E 19 7889 6916 5700 672 785 -1626 C +ATOM 3880 N VAL E 20 29.339 41.302 3.553 1.00 62.98 N +ANISOU 3880 N VAL E 20 7722 9491 6718 1056 1069 -1928 N +ATOM 3881 CA VAL E 20 30.738 40.940 3.354 1.00 63.07 C +ANISOU 3881 CA VAL E 20 7405 9969 6588 1371 1181 -2180 C +ATOM 3882 C VAL E 20 31.464 40.825 4.690 1.00 60.40 C +ANISOU 3882 C VAL E 20 6851 9757 6343 1701 1080 -2211 C +ATOM 3883 O VAL E 20 32.210 39.875 4.921 1.00 63.65 O +ANISOU 3883 O VAL E 20 7210 10287 6686 2215 1070 -2411 O +ATOM 3884 CB VAL E 20 31.462 41.968 2.465 1.00 64.49 C +ANISOU 3884 CB VAL E 20 7225 10674 6603 1005 1351 -2228 C +ATOM 3885 CG1 VAL E 20 32.932 41.609 2.322 1.00 75.57 C +ANISOU 3885 CG1 VAL E 20 8206 12669 7840 1322 1474 -2522 C +ATOM 3886 CG2 VAL E 20 30.792 42.051 1.102 1.00 60.17 C +ANISOU 3886 CG2 VAL E 20 6909 10024 5930 701 1440 -2198 C +ATOM 3887 N GLY E 21 31.257 41.811 5.556 1.00 56.89 N +ANISOU 3887 N GLY E 21 6291 9293 6032 1424 1001 -2018 N +ATOM 3888 CA GLY E 21 31.830 41.795 6.889 1.00 56.44 C +ANISOU 3888 CA GLY E 21 6047 9339 6060 1672 889 -2019 C +ATOM 3889 C GLY E 21 31.164 42.816 7.791 1.00 57.21 C +ANISOU 3889 C GLY E 21 6184 9228 6325 1308 793 -1772 C +ATOM 3890 O GLY E 21 30.594 43.794 7.309 1.00 57.56 O +ANISOU 3890 O GLY E 21 6278 9209 6384 854 842 -1629 O +ATOM 3891 N LEU E 22 31.237 42.595 9.100 1.00 57.97 N +ANISOU 3891 N LEU E 22 6285 9212 6529 1529 653 -1725 N +ATOM 3892 CA LEU E 22 30.672 43.540 10.059 1.00 55.66 C +ANISOU 3892 CA LEU E 22 6018 8746 6386 1217 568 -1519 C +ATOM 3893 C LEU E 22 31.627 44.706 10.287 1.00 58.00 C +ANISOU 3893 C LEU E 22 5890 9532 6615 940 636 -1543 C +ATOM 3894 O LEU E 22 32.828 44.591 10.049 1.00 61.95 O +ANISOU 3894 O LEU E 22 6020 10557 6962 1081 712 -1736 O +ATOM 3895 CB LEU E 22 30.346 42.846 11.381 1.00 59.16 C +ANISOU 3895 CB LEU E 22 6661 8876 6943 1515 398 -1459 C +ATOM 3896 CG LEU E 22 29.285 41.748 11.290 1.00 60.58 C +ANISOU 3896 CG LEU E 22 7331 8524 7163 1676 333 -1419 C +ATOM 3897 CD1 LEU E 22 29.008 41.147 12.660 1.00 61.23 C +ANISOU 3897 CD1 LEU E 22 7637 8308 7319 1901 174 -1348 C +ATOM 3898 CD2 LEU E 22 28.007 42.293 10.665 1.00 54.15 C +ANISOU 3898 CD2 LEU E 22 6726 7434 6414 1255 369 -1275 C +ATOM 3899 N ILE E 23 31.088 45.830 10.749 1.00 59.60 N +ANISOU 3899 N ILE E 23 6155 9582 6910 539 614 -1364 N +ATOM 3900 CA ILE E 23 31.863 47.061 10.829 1.00 55.56 C +ANISOU 3900 CA ILE E 23 5346 9464 6302 151 702 -1372 C +ATOM 3901 C ILE E 23 32.174 47.519 12.253 1.00 55.47 C +ANISOU 3901 C ILE E 23 5195 9522 6358 119 604 -1331 C +ATOM 3902 O ILE E 23 33.333 47.523 12.669 1.00 58.87 O +ANISOU 3902 O ILE E 23 5241 10454 6674 196 617 -1479 O +ATOM 3903 CB ILE E 23 31.136 48.210 10.103 1.00 52.43 C +ANISOU 3903 CB ILE E 23 5173 8856 5892 -344 777 -1209 C +ATOM 3904 CG1 ILE E 23 30.830 47.817 8.657 1.00 56.46 C +ANISOU 3904 CG1 ILE E 23 5819 9328 6306 -349 868 -1243 C +ATOM 3905 CG2 ILE E 23 31.965 49.483 10.156 1.00 49.63 C +ANISOU 3905 CG2 ILE E 23 4604 8861 5392 -801 883 -1221 C +ATOM 3906 CD1 ILE E 23 29.952 48.809 7.925 1.00 43.25 C +ANISOU 3906 CD1 ILE E 23 4436 7386 4611 -746 897 -1059 C +ATOM 3907 N ALA E 24 31.141 47.903 12.997 1.00 53.07 N +ANISOU 3907 N ALA E 24 5182 8760 6223 5 506 -1146 N +ATOM 3908 CA ALA E 24 31.343 48.569 14.281 1.00 51.91 C +ANISOU 3908 CA ALA E 24 4944 8653 6126 -131 436 -1094 C +ATOM 3909 C ALA E 24 30.883 47.758 15.489 1.00 54.98 C +ANISOU 3909 C ALA E 24 5470 8766 6652 215 268 -1047 C +ATOM 3910 O ALA E 24 29.796 47.181 15.494 1.00 58.51 O +ANISOU 3910 O ALA E 24 6246 8769 7217 347 206 -955 O +ATOM 3911 CB ALA E 24 30.640 49.921 14.273 1.00 47.38 C +ANISOU 3911 CB ALA E 24 4589 7819 5594 -598 477 -933 C +ATOM 3912 N THR E 25 31.731 47.726 16.513 1.00 55.96 N +ANISOU 3912 N THR E 25 5340 9190 6731 328 197 -1116 N +ATOM 3913 CA THR E 25 31.349 47.229 17.829 1.00 48.97 C +ANISOU 3913 CA THR E 25 4600 8060 5945 554 36 -1047 C +ATOM 3914 C THR E 25 31.280 48.410 18.788 1.00 51.17 C +ANISOU 3914 C THR E 25 4840 8345 6259 179 26 -968 C +ATOM 3915 O THR E 25 32.238 49.171 18.915 1.00 56.22 O +ANISOU 3915 O THR E 25 5168 9418 6774 -60 82 -1050 O +ATOM 3916 CB THR E 25 32.336 46.177 18.364 1.00 46.92 C +ANISOU 3916 CB THR E 25 4132 8111 5584 1049 -75 -1180 C +ATOM 3917 OG1 THR E 25 32.255 44.992 17.564 1.00 52.77 O +ANISOU 3917 OG1 THR E 25 5027 8728 6296 1445 -75 -1250 O +ATOM 3918 CG2 THR E 25 32.008 45.827 19.809 1.00 43.21 C +ANISOU 3918 CG2 THR E 25 3832 7407 5178 1213 -246 -1089 C +ATOM 3919 N VAL E 26 30.144 48.565 19.458 1.00 49.89 N +ANISOU 3919 N VAL E 26 4993 7722 6241 104 -35 -828 N +ATOM 3920 CA VAL E 26 29.909 49.738 20.290 1.00 51.00 C +ANISOU 3920 CA VAL E 26 5168 7791 6419 -251 -29 -757 C +ATOM 3921 C VAL E 26 29.479 49.369 21.703 1.00 51.53 C +ANISOU 3921 C VAL E 26 5361 7659 6560 -113 -163 -701 C +ATOM 3922 O VAL E 26 28.604 48.530 21.891 1.00 61.14 O +ANISOU 3922 O VAL E 26 6834 8536 7862 100 -231 -639 O +ATOM 3923 CB VAL E 26 28.825 50.651 19.668 1.00 49.60 C +ANISOU 3923 CB VAL E 26 5268 7252 6324 -549 55 -644 C +ATOM 3924 CG1 VAL E 26 28.509 51.822 20.586 1.00 49.82 C +ANISOU 3924 CG1 VAL E 26 5401 7142 6385 -854 58 -583 C +ATOM 3925 CG2 VAL E 26 29.263 51.146 18.301 1.00 52.02 C +ANISOU 3925 CG2 VAL E 26 5501 7743 6522 -748 188 -680 C +ATOM 3926 N ALA E 27 30.099 50.004 22.692 1.00 43.11 N +ANISOU 3926 N ALA E 27 4127 6821 5433 -278 -195 -729 N +ATOM 3927 CA ALA E 27 29.647 49.889 24.071 1.00 42.55 C +ANISOU 3927 CA ALA E 27 4193 6560 5414 -237 -306 -670 C +ATOM 3928 C ALA E 27 29.038 51.215 24.507 1.00 45.41 C +ANISOU 3928 C ALA E 27 4697 6724 5832 -644 -235 -614 C +ATOM 3929 O ALA E 27 29.641 52.268 24.319 1.00 44.03 O +ANISOU 3929 O ALA E 27 4398 6758 5572 -973 -146 -659 O +ATOM 3930 CB ALA E 27 30.795 49.498 24.987 1.00 43.87 C +ANISOU 3930 CB ALA E 27 4082 7140 5445 -60 -423 -751 C +ATOM 3931 N VAL E 28 27.844 51.165 25.090 1.00 46.21 N +ANISOU 3931 N VAL E 28 5079 6429 6051 -632 -267 -530 N +ATOM 3932 CA VAL E 28 27.161 52.387 25.501 1.00 41.91 C +ANISOU 3932 CA VAL E 28 4700 5665 5557 -940 -202 -493 C +ATOM 3933 C VAL E 28 26.813 52.388 26.982 1.00 45.26 C +ANISOU 3933 C VAL E 28 5207 5994 5996 -957 -276 -483 C +ATOM 3934 O VAL E 28 26.561 51.341 27.573 1.00 42.84 O +ANISOU 3934 O VAL E 28 4952 5626 5698 -724 -375 -460 O +ATOM 3935 CB VAL E 28 25.862 52.610 24.696 1.00 35.09 C +ANISOU 3935 CB VAL E 28 4084 4440 4807 -939 -143 -424 C +ATOM 3936 CG1 VAL E 28 26.176 52.841 23.227 1.00 34.10 C +ANISOU 3936 CG1 VAL E 28 3919 4393 4644 -989 -61 -423 C +ATOM 3937 CG2 VAL E 28 24.910 51.432 24.870 1.00 35.35 C +ANISOU 3937 CG2 VAL E 28 4248 4268 4917 -684 -214 -387 C +ATOM 3938 N LEU E 29 26.806 53.575 27.576 1.00 46.98 N +ANISOU 3938 N LEU E 29 5479 6180 6190 -1254 -222 -504 N +ATOM 3939 CA LEU E 29 26.244 53.760 28.904 1.00 39.48 C +ANISOU 3939 CA LEU E 29 4657 5086 5259 -1311 -261 -502 C +ATOM 3940 C LEU E 29 24.848 54.336 28.749 1.00 40.33 C +ANISOU 3940 C LEU E 29 5026 4817 5482 -1347 -190 -469 C +ATOM 3941 O LEU E 29 24.668 55.370 28.107 1.00 47.00 O +ANISOU 3941 O LEU E 29 5984 5539 6335 -1500 -100 -469 O +ATOM 3942 CB LEU E 29 27.114 54.684 29.756 1.00 39.24 C +ANISOU 3942 CB LEU E 29 4533 5273 5105 -1608 -248 -572 C +ATOM 3943 CG LEU E 29 26.439 55.226 31.020 1.00 43.81 C +ANISOU 3943 CG LEU E 29 5295 5655 5694 -1741 -245 -588 C +ATOM 3944 CD1 LEU E 29 26.187 54.105 32.021 1.00 39.29 C +ANISOU 3944 CD1 LEU E 29 4712 5099 5116 -1524 -370 -559 C +ATOM 3945 CD2 LEU E 29 27.254 56.345 31.648 1.00 33.93 C +ANISOU 3945 CD2 LEU E 29 4010 4578 4305 -2110 -200 -671 C +ATOM 3946 N VAL E 30 23.858 53.671 29.330 1.00 42.74 N +ANISOU 3946 N VAL E 30 5437 4954 5847 -1205 -233 -447 N +ATOM 3947 CA VAL E 30 22.484 54.129 29.199 1.00 42.85 C +ANISOU 3947 CA VAL E 30 5630 4702 5950 -1197 -173 -445 C +ATOM 3948 C VAL E 30 21.879 54.433 30.559 1.00 43.23 C +ANISOU 3948 C VAL E 30 5769 4672 5986 -1281 -168 -494 C +ATOM 3949 O VAL E 30 21.899 53.602 31.467 1.00 37.09 O +ANISOU 3949 O VAL E 30 4973 3958 5161 -1250 -234 -492 O +ATOM 3950 CB VAL E 30 21.609 53.092 28.473 1.00 44.56 C +ANISOU 3950 CB VAL E 30 5875 4831 6225 -999 -195 -406 C +ATOM 3951 CG1 VAL E 30 20.161 53.557 28.426 1.00 43.64 C +ANISOU 3951 CG1 VAL E 30 5871 4541 6171 -982 -145 -429 C +ATOM 3952 CG2 VAL E 30 22.140 52.845 27.069 1.00 45.01 C +ANISOU 3952 CG2 VAL E 30 5861 4956 6286 -919 -186 -370 C +ATOM 3953 N GLU E 31 21.342 55.640 30.685 1.00 47.00 N +ANISOU 3953 N GLU E 31 6378 4997 6484 -1378 -90 -541 N +ATOM 3954 CA GLU E 31 20.703 56.081 31.913 1.00 47.55 C +ANISOU 3954 CA GLU E 31 6541 4991 6534 -1450 -60 -617 C +ATOM 3955 C GLU E 31 19.294 56.561 31.597 1.00 52.00 C +ANISOU 3955 C GLU E 31 7213 5379 7167 -1316 0 -660 C +ATOM 3956 O GLU E 31 18.928 56.700 30.430 1.00 59.47 O +ANISOU 3956 O GLU E 31 8180 6251 8164 -1188 7 -619 O +ATOM 3957 CB GLU E 31 21.520 57.191 32.579 1.00 45.85 C +ANISOU 3957 CB GLU E 31 6400 4786 6234 -1691 -21 -675 C +ATOM 3958 CG GLU E 31 22.961 56.804 32.881 1.00 51.28 C +ANISOU 3958 CG GLU E 31 6915 5748 6822 -1829 -89 -656 C +ATOM 3959 CD GLU E 31 23.734 57.909 33.575 1.00 61.24 C +ANISOU 3959 CD GLU E 31 8236 7068 7965 -2122 -45 -729 C +ATOM 3960 OE1 GLU E 31 24.563 57.597 34.455 1.00 65.44 O +ANISOU 3960 OE1 GLU E 31 8629 7847 8387 -2253 -113 -758 O +ATOM 3961 OE2 GLU E 31 23.518 59.091 33.234 1.00 66.89 O +ANISOU 3961 OE2 GLU E 31 9135 7609 8672 -2150 46 -733 O +ATOM 3962 N LYS E 32 18.509 56.798 32.643 1.00 48.50 N +ANISOU 3962 N LYS E 32 6819 4905 6703 -1332 37 -753 N +ATOM 3963 CA LYS E 32 17.164 57.349 32.515 1.00 47.19 C +ANISOU 3963 CA LYS E 32 6713 4644 6574 -1171 95 -836 C +ATOM 3964 C LYS E 32 17.186 58.623 31.667 1.00 48.03 C +ANISOU 3964 C LYS E 32 7005 4545 6700 -1083 129 -831 C +ATOM 3965 O LYS E 32 18.069 59.462 31.840 1.00 50.36 O +ANISOU 3965 O LYS E 32 7459 4731 6943 -1251 156 -830 O +ATOM 3966 CB LYS E 32 16.601 57.622 33.913 1.00 48.66 C +ANISOU 3966 CB LYS E 32 6929 4858 6702 -1241 150 -968 C +ATOM 3967 CG LYS E 32 15.262 58.324 33.980 1.00 51.75 C +ANISOU 3967 CG LYS E 32 7354 5206 7103 -1045 219 -1102 C +ATOM 3968 CD LYS E 32 14.771 58.341 35.418 1.00 55.82 C +ANISOU 3968 CD LYS E 32 7852 5818 7538 -1148 283 -1244 C +ATOM 3969 CE LYS E 32 13.508 59.162 35.581 1.00 58.07 C +ANISOU 3969 CE LYS E 32 8150 6102 7811 -917 363 -1419 C +ATOM 3970 NZ LYS E 32 12.995 59.072 36.974 1.00 57.23 N +ANISOU 3970 NZ LYS E 32 7993 6146 7607 -1040 443 -1577 N +ATOM 3971 N PRO E 33 16.218 58.778 30.746 1.00 44.42 N +ANISOU 3971 N PRO E 33 6554 4039 6286 -838 122 -829 N +ATOM 3972 CA PRO E 33 15.045 57.936 30.481 1.00 45.89 C +ANISOU 3972 CA PRO E 33 6545 4393 6499 -669 100 -861 C +ATOM 3973 C PRO E 33 15.269 56.795 29.485 1.00 47.29 C +ANISOU 3973 C PRO E 33 6586 4678 6703 -675 40 -751 C +ATOM 3974 O PRO E 33 14.302 56.353 28.863 1.00 49.93 O +ANISOU 3974 O PRO E 33 6808 5120 7042 -536 20 -769 O +ATOM 3975 CB PRO E 33 14.040 58.936 29.914 1.00 41.63 C +ANISOU 3975 CB PRO E 33 6103 3755 5959 -378 108 -922 C +ATOM 3976 CG PRO E 33 14.892 59.896 29.163 1.00 37.31 C +ANISOU 3976 CG PRO E 33 5828 2946 5401 -394 101 -826 C +ATOM 3977 CD PRO E 33 16.199 59.998 29.918 1.00 34.81 C +ANISOU 3977 CD PRO E 33 5590 2583 5055 -720 136 -805 C +ATOM 3978 N TYR E 34 16.512 56.343 29.332 1.00 42.22 N +ANISOU 3978 N TYR E 34 5945 4037 6060 -825 12 -657 N +ATOM 3979 CA TYR E 34 16.823 55.133 28.565 1.00 39.92 C +ANISOU 3979 CA TYR E 34 5546 3844 5777 -819 -39 -575 C +ATOM 3980 C TYR E 34 16.392 55.197 27.099 1.00 42.34 C +ANISOU 3980 C TYR E 34 5849 4130 6109 -671 -57 -525 C +ATOM 3981 O TYR E 34 15.902 54.210 26.548 1.00 40.02 O +ANISOU 3981 O TYR E 34 5465 3932 5810 -627 -84 -513 O +ATOM 3982 CB TYR E 34 16.177 53.912 29.227 1.00 34.00 C +ANISOU 3982 CB TYR E 34 4714 3214 4992 -860 -54 -613 C +ATOM 3983 CG TYR E 34 16.341 53.874 30.728 1.00 41.44 C +ANISOU 3983 CG TYR E 34 5684 4182 5881 -999 -39 -668 C +ATOM 3984 CD1 TYR E 34 17.566 53.572 31.305 1.00 50.28 C +ANISOU 3984 CD1 TYR E 34 6827 5315 6963 -1100 -83 -615 C +ATOM 3985 CD2 TYR E 34 15.268 54.143 31.568 1.00 47.66 C +ANISOU 3985 CD2 TYR E 34 6453 5023 6634 -1022 18 -784 C +ATOM 3986 CE1 TYR E 34 17.719 53.539 32.679 1.00 57.93 C +ANISOU 3986 CE1 TYR E 34 7831 6321 7859 -1231 -84 -657 C +ATOM 3987 CE2 TYR E 34 15.411 54.112 32.941 1.00 51.01 C +ANISOU 3987 CE2 TYR E 34 6916 5478 6989 -1173 38 -837 C +ATOM 3988 CZ TYR E 34 16.638 53.810 33.492 1.00 58.47 C +ANISOU 3988 CZ TYR E 34 7915 6406 7895 -1282 -19 -764 C +ATOM 3989 OH TYR E 34 16.783 53.778 34.860 1.00 60.60 O +ANISOU 3989 OH TYR E 34 8234 6720 8072 -1435 -13 -809 O +ATOM 3990 N LYS E 35 16.573 56.352 26.469 1.00 41.08 N +ANISOU 3990 N LYS E 35 5826 3833 5949 -618 -42 -495 N +ATOM 3991 CA LYS E 35 16.221 56.506 25.061 1.00 43.16 C +ANISOU 3991 CA LYS E 35 6122 4067 6208 -479 -71 -432 C +ATOM 3992 C LYS E 35 17.465 56.597 24.186 1.00 42.89 C +ANISOU 3992 C LYS E 35 6150 4001 6146 -601 -63 -337 C +ATOM 3993 O LYS E 35 17.413 56.331 22.986 1.00 40.13 O +ANISOU 3993 O LYS E 35 5791 3677 5778 -538 -85 -276 O +ATOM 3994 CB LYS E 35 15.351 57.747 24.855 1.00 45.57 C +ANISOU 3994 CB LYS E 35 6591 4230 6492 -281 -75 -461 C +ATOM 3995 CG LYS E 35 13.990 57.676 25.522 1.00 44.17 C +ANISOU 3995 CG LYS E 35 6288 4174 6320 -107 -80 -586 C +ATOM 3996 CD LYS E 35 13.227 58.976 25.339 1.00 45.02 C +ANISOU 3996 CD LYS E 35 6577 4139 6391 172 -97 -629 C +ATOM 3997 CE LYS E 35 11.851 58.905 25.976 1.00 49.45 C +ANISOU 3997 CE LYS E 35 6941 4913 6935 379 -97 -789 C +ATOM 3998 NZ LYS E 35 11.100 60.178 25.805 1.00 57.78 N +ANISOU 3998 NZ LYS E 35 8177 5839 7939 746 -128 -847 N +ATOM 3999 N THR E 36 18.582 56.974 24.797 1.00 46.36 N +ANISOU 3999 N THR E 36 6632 4425 6558 -797 -25 -340 N +ATOM 4000 CA THR E 36 19.821 57.187 24.060 1.00 45.65 C +ANISOU 4000 CA THR E 36 6566 4375 6404 -963 3 -283 C +ATOM 4001 C THR E 36 21.040 56.969 24.947 1.00 50.68 C +ANISOU 4001 C THR E 36 7080 5171 7004 -1166 20 -321 C +ATOM 4002 O THR E 36 20.924 56.489 26.074 1.00 52.85 O +ANISOU 4002 O THR E 36 7265 5506 7308 -1153 -7 -371 O +ATOM 4003 CB THR E 36 19.879 58.607 23.462 1.00 48.78 C +ANISOU 4003 CB THR E 36 7262 4551 6721 -1037 44 -241 C +ATOM 4004 OG1 THR E 36 21.052 58.738 22.649 1.00 51.42 O +ANISOU 4004 OG1 THR E 36 7604 4975 6960 -1256 88 -194 O +ATOM 4005 CG2 THR E 36 19.912 59.654 24.566 1.00 45.25 C +ANISOU 4005 CG2 THR E 36 7015 3937 6241 -1150 85 -303 C +ATOM 4006 N SER E 37 22.211 57.318 24.423 1.00 47.53 N +ANISOU 4006 N SER E 37 6666 4878 6514 -1363 61 -304 N +ATOM 4007 CA SER E 37 23.452 57.228 25.179 1.00 42.42 C +ANISOU 4007 CA SER E 37 5858 4466 5794 -1566 71 -358 C +ATOM 4008 C SER E 37 24.334 58.436 24.892 1.00 50.88 C +ANISOU 4008 C SER E 37 7067 5543 6722 -1905 157 -370 C +ATOM 4009 O SER E 37 24.529 58.813 23.736 1.00 55.63 O +ANISOU 4009 O SER E 37 7770 6110 7255 -1987 206 -322 O +ATOM 4010 CB SER E 37 24.199 55.936 24.844 1.00 42.97 C +ANISOU 4010 CB SER E 37 5639 4831 5858 -1450 24 -364 C +ATOM 4011 OG SER E 37 25.440 55.873 25.527 1.00 44.47 O +ANISOU 4011 OG SER E 37 5629 5318 5949 -1601 15 -426 O +ATOM 4012 N LYS E 38 24.863 59.042 25.949 1.00 50.70 N +ANISOU 4012 N LYS E 38 7073 5567 6625 -2141 181 -437 N +ATOM 4013 CA LYS E 38 25.734 60.200 25.803 1.00 52.63 C +ANISOU 4013 CA LYS E 38 7470 5838 6689 -2516 271 -462 C +ATOM 4014 C LYS E 38 27.184 59.819 26.076 1.00 52.07 C +ANISOU 4014 C LYS E 38 7047 6251 6487 -2757 277 -541 C +ATOM 4015 O LYS E 38 28.090 60.642 25.946 1.00 61.30 O +ANISOU 4015 O LYS E 38 8252 7577 7462 -3025 352 -568 O +ATOM 4016 CB LYS E 38 25.296 61.324 26.744 1.00 52.18 C +ANISOU 4016 CB LYS E 38 7691 5543 6591 -2519 294 -477 C +ATOM 4017 CG LYS E 38 23.862 61.787 26.534 1.00 58.03 C +ANISOU 4017 CG LYS E 38 8736 5876 7436 -2241 280 -430 C +ATOM 4018 CD LYS E 38 23.684 62.489 25.198 1.00 67.37 C +ANISOU 4018 CD LYS E 38 10197 6857 8543 -2239 316 -344 C +ATOM 4019 CE LYS E 38 22.430 63.351 25.197 1.00 73.16 C +ANISOU 4019 CE LYS E 38 11285 7207 9307 -1978 299 -319 C +ATOM 4020 NZ LYS E 38 21.839 63.484 23.837 1.00 72.60 N +ANISOU 4020 NZ LYS E 38 11409 6947 9228 -1813 273 -220 N +ATOM 4021 N ARG E 39 27.395 58.561 26.447 1.00 47.83 N +ANISOU 4021 N ARG E 39 6165 5983 6026 -2521 182 -564 N +ATOM 4022 CA ARG E 39 28.723 58.066 26.789 1.00 48.55 C +ANISOU 4022 CA ARG E 39 5868 6591 5989 -2623 150 -650 C +ATOM 4023 C ARG E 39 28.940 56.693 26.159 1.00 50.41 C +ANISOU 4023 C ARG E 39 5817 7053 6285 -2252 77 -636 C +ATOM 4024 O ARG E 39 28.238 55.737 26.490 1.00 51.84 O +ANISOU 4024 O ARG E 39 6007 7088 6600 -1899 -18 -589 O +ATOM 4025 CB ARG E 39 28.878 57.996 28.310 1.00 49.62 C +ANISOU 4025 CB ARG E 39 5924 6827 6102 -2654 73 -705 C +ATOM 4026 CG ARG E 39 30.224 57.504 28.810 1.00 56.24 C +ANISOU 4026 CG ARG E 39 6342 8244 6783 -2714 5 -800 C +ATOM 4027 CD ARG E 39 31.332 58.487 28.479 1.00 59.87 C +ANISOU 4027 CD ARG E 39 6731 9004 7013 -3133 120 -878 C +ATOM 4028 NE ARG E 39 32.648 57.959 28.827 1.00 66.82 N +ANISOU 4028 NE ARG E 39 7143 10526 7720 -3132 53 -985 N +ATOM 4029 CZ ARG E 39 33.166 58.004 30.051 1.00 72.10 C +ANISOU 4029 CZ ARG E 39 7686 11430 8278 -3172 -19 -1036 C +ATOM 4030 NH1 ARG E 39 34.371 57.501 30.283 1.00 80.78 N +ANISOU 4030 NH1 ARG E 39 8348 13142 9202 -3106 -89 -1132 N +ATOM 4031 NH2 ARG E 39 32.481 58.557 31.043 1.00 65.67 N +ANISOU 4031 NH2 ARG E 39 7182 10256 7512 -3247 -20 -997 N +ATOM 4032 N PHE E 40 29.908 56.593 25.252 1.00 50.98 N +ANISOU 4032 N PHE E 40 5657 7481 6233 -2349 130 -688 N +ATOM 4033 CA PHE E 40 30.079 55.368 24.477 1.00 52.34 C +ANISOU 4033 CA PHE E 40 5614 7824 6449 -1981 83 -689 C +ATOM 4034 C PHE E 40 31.480 55.174 23.896 1.00 53.60 C +ANISOU 4034 C PHE E 40 5378 8568 6420 -2072 126 -812 C +ATOM 4035 O PHE E 40 32.229 56.134 23.711 1.00 57.77 O +ANISOU 4035 O PHE E 40 5837 9343 6770 -2516 234 -882 O +ATOM 4036 CB PHE E 40 29.053 55.334 23.341 1.00 51.53 C +ANISOU 4036 CB PHE E 40 5779 7337 6462 -1866 131 -591 C +ATOM 4037 CG PHE E 40 28.865 56.659 22.657 1.00 52.33 C +ANISOU 4037 CG PHE E 40 6156 7238 6489 -2236 254 -550 C +ATOM 4038 CD1 PHE E 40 29.743 57.078 21.671 1.00 54.46 C +ANISOU 4038 CD1 PHE E 40 6335 7776 6583 -2515 364 -595 C +ATOM 4039 CD2 PHE E 40 27.809 57.487 23.002 1.00 50.03 C +ANISOU 4039 CD2 PHE E 40 6243 6489 6277 -2294 259 -474 C +ATOM 4040 CE1 PHE E 40 29.571 58.298 21.042 1.00 56.51 C +ANISOU 4040 CE1 PHE E 40 6937 7799 6735 -2877 473 -541 C +ATOM 4041 CE2 PHE E 40 27.631 58.706 22.378 1.00 52.02 C +ANISOU 4041 CE2 PHE E 40 6831 6500 6434 -2583 354 -427 C +ATOM 4042 CZ PHE E 40 28.514 59.112 21.396 1.00 56.74 C +ANISOU 4042 CZ PHE E 40 7397 7316 6844 -2890 458 -448 C +ATOM 4043 N LEU E 41 31.818 53.917 23.612 1.00 50.52 N +ANISOU 4043 N LEU E 41 4746 8403 6048 -1653 47 -852 N +ATOM 4044 CA LEU E 41 33.068 53.567 22.942 1.00 56.38 C +ANISOU 4044 CA LEU E 41 5075 9731 6614 -1626 88 -992 C +ATOM 4045 C LEU E 41 32.793 52.800 21.652 1.00 56.75 C +ANISOU 4045 C LEU E 41 5159 9687 6717 -1347 128 -980 C +ATOM 4046 O LEU E 41 31.750 52.162 21.515 1.00 58.59 O +ANISOU 4046 O LEU E 41 5669 9471 7122 -1061 71 -875 O +ATOM 4047 CB LEU E 41 33.964 52.734 23.859 1.00 53.09 C +ANISOU 4047 CB LEU E 41 4288 9774 6110 -1310 -60 -1096 C +ATOM 4048 CG LEU E 41 34.267 53.303 25.244 1.00 54.63 C +ANISOU 4048 CG LEU E 41 4416 10108 6233 -1532 -132 -1117 C +ATOM 4049 CD1 LEU E 41 35.117 52.327 26.040 1.00 48.84 C +ANISOU 4049 CD1 LEU E 41 3324 9836 5397 -1119 -312 -1205 C +ATOM 4050 CD2 LEU E 41 34.953 54.654 25.130 1.00 48.88 C +ANISOU 4050 CD2 LEU E 41 3578 9681 5313 -2173 15 -1205 C +ATOM 4051 N VAL E 42 33.728 52.863 20.708 1.00 53.31 N +ANISOU 4051 N VAL E 42 4437 9708 6111 -1465 235 -1102 N +ATOM 4052 CA VAL E 42 33.598 52.117 19.460 1.00 45.29 C +ANISOU 4052 CA VAL E 42 3425 8669 5113 -1209 284 -1120 C +ATOM 4053 C VAL E 42 34.912 51.445 19.045 1.00 58.09 C +ANISOU 4053 C VAL E 42 4549 10974 6547 -997 305 -1327 C +ATOM 4054 O VAL E 42 35.994 52.015 19.201 1.00 64.06 O +ANISOU 4054 O VAL E 42 4936 12307 7096 -1292 368 -1466 O +ATOM 4055 CB VAL E 42 33.096 53.032 18.313 1.00 59.36 C +ANISOU 4055 CB VAL E 42 5482 10203 6870 -1608 440 -1040 C +ATOM 4056 CG1 VAL E 42 34.084 54.159 18.042 1.00 47.82 C +ANISOU 4056 CG1 VAL E 42 3843 9166 5160 -2177 590 -1134 C +ATOM 4057 CG2 VAL E 42 32.827 52.225 17.048 1.00 55.31 C +ANISOU 4057 CG2 VAL E 42 5011 9626 6380 -1344 481 -1049 C +ATOM 4058 N LYS E 43 34.810 50.219 18.542 1.00 54.13 N +ANISOU 4058 N LYS E 43 4041 10426 6099 -482 251 -1364 N +ATOM 4059 CA LYS E 43 35.955 49.523 17.968 1.00 60.08 C +ANISOU 4059 CA LYS E 43 4357 11796 6674 -197 283 -1578 C +ATOM 4060 C LYS E 43 35.604 49.025 16.573 1.00 62.25 C +ANISOU 4060 C LYS E 43 4779 11912 6963 -72 388 -1593 C +ATOM 4061 O LYS E 43 34.642 48.277 16.396 1.00 60.50 O +ANISOU 4061 O LYS E 43 4926 11159 6904 226 322 -1487 O +ATOM 4062 CB LYS E 43 36.403 48.351 18.844 1.00 64.14 C +ANISOU 4062 CB LYS E 43 4706 12479 7184 434 87 -1654 C +ATOM 4063 CG LYS E 43 37.586 47.587 18.256 1.00 71.62 C +ANISOU 4063 CG LYS E 43 5193 14084 7934 836 105 -1899 C +ATOM 4064 CD LYS E 43 37.657 46.158 18.770 1.00 74.54 C +ANISOU 4064 CD LYS E 43 5641 14348 8332 1614 -96 -1931 C +ATOM 4065 CE LYS E 43 38.998 45.516 18.440 1.00 85.14 C +ANISOU 4065 CE LYS E 43 6649 16273 9429 1991 -122 -2147 C +ATOM 4066 NZ LYS E 43 40.150 46.301 18.963 1.00 91.98 N +ANISOU 4066 NZ LYS E 43 7144 17737 10069 1660 -119 -2243 N +ATOM 4067 N TYR E 44 36.387 49.443 15.585 1.00 59.87 N +ANISOU 4067 N TYR E 44 4189 12095 6462 -341 560 -1737 N +ATOM 4068 CA TYR E 44 36.117 49.073 14.203 1.00 59.13 C +ANISOU 4068 CA TYR E 44 4222 11900 6345 -287 679 -1763 C +ATOM 4069 C TYR E 44 36.822 47.772 13.846 1.00 66.03 C +ANISOU 4069 C TYR E 44 4819 13135 7135 324 651 -1973 C +ATOM 4070 O TYR E 44 37.947 47.523 14.278 1.00 76.80 O +ANISOU 4070 O TYR E 44 5708 15130 8344 540 619 -2168 O +ATOM 4071 CB TYR E 44 36.561 50.181 13.245 1.00 56.56 C +ANISOU 4071 CB TYR E 44 3787 11888 5815 -916 894 -1807 C +ATOM 4072 CG TYR E 44 35.816 51.488 13.404 1.00 59.98 C +ANISOU 4072 CG TYR E 44 4606 11882 6300 -1491 931 -1596 C +ATOM 4073 CD1 TYR E 44 34.551 51.662 12.856 1.00 60.83 C +ANISOU 4073 CD1 TYR E 44 5221 11334 6559 -1541 921 -1392 C +ATOM 4074 CD2 TYR E 44 36.385 52.555 14.088 1.00 61.32 C +ANISOU 4074 CD2 TYR E 44 4645 12310 6342 -1974 972 -1614 C +ATOM 4075 CE1 TYR E 44 33.870 52.858 12.994 1.00 61.03 C +ANISOU 4075 CE1 TYR E 44 5619 10957 6614 -1983 940 -1209 C +ATOM 4076 CE2 TYR E 44 35.712 53.755 14.230 1.00 61.99 C +ANISOU 4076 CE2 TYR E 44 5154 11946 6455 -2463 1007 -1431 C +ATOM 4077 CZ TYR E 44 34.456 53.901 13.682 1.00 64.99 C +ANISOU 4077 CZ TYR E 44 6041 11661 6991 -2430 985 -1228 C +ATOM 4078 OH TYR E 44 33.783 55.093 13.822 1.00 67.47 O +ANISOU 4078 OH TYR E 44 6794 11525 7316 -2833 1004 -1056 O +ATOM 4079 N ALA E 45 36.147 46.944 13.060 1.00 64.36 N +ANISOU 4079 N ALA E 45 4915 12532 7007 618 656 -1945 N +ATOM 4080 CA ALA E 45 36.747 45.730 12.530 1.00 71.36 C +ANISOU 4080 CA ALA E 45 5631 13688 7793 1193 657 -2156 C +ATOM 4081 C ALA E 45 37.098 45.947 11.067 1.00 76.66 C +ANISOU 4081 C ALA E 45 6159 14674 8294 954 875 -2289 C +ATOM 4082 O ALA E 45 36.752 46.976 10.489 1.00 79.94 O +ANISOU 4082 O ALA E 45 6689 15005 8681 357 1003 -2179 O +ATOM 4083 CB ALA E 45 35.806 44.548 12.691 1.00 70.77 C +ANISOU 4083 CB ALA E 45 6046 12957 7888 1683 519 -2060 C +ATOM 4084 N ASP E 46 37.794 44.986 10.471 1.00 77.68 N +ANISOU 4084 N ASP E 46 6109 15112 8293 1411 896 -2505 N +ATOM 4085 CA ASP E 46 38.023 45.012 9.034 1.00 78.91 C +ANISOU 4085 CA ASP E 46 6240 15441 8301 1218 1071 -2607 C +ATOM 4086 C ASP E 46 37.021 44.097 8.341 1.00 79.61 C +ANISOU 4086 C ASP E 46 6746 15017 8484 1540 1105 -2594 C +ATOM 4087 O ASP E 46 37.148 42.874 8.401 1.00 84.39 O +ANISOU 4087 O ASP E 46 7489 15469 9108 2138 995 -2683 O +ATOM 4088 CB ASP E 46 39.455 44.595 8.696 1.00 82.16 C +ANISOU 4088 CB ASP E 46 6287 16434 8497 1426 1035 -2826 C +ATOM 4089 CG ASP E 46 39.737 44.635 7.206 1.00 85.30 C +ANISOU 4089 CG ASP E 46 6636 17043 8733 1208 1215 -2944 C +ATOM 4090 OD1 ASP E 46 39.125 45.470 6.506 1.00 72.03 O +ANISOU 4090 OD1 ASP E 46 5111 15219 7038 663 1377 -2839 O +ATOM 4091 OD2 ASP E 46 40.573 43.836 6.733 1.00 91.38 O +ANISOU 4091 OD2 ASP E 46 7231 18117 9374 1581 1189 -3137 O +ATOM 4092 N PRO E 47 36.012 44.692 7.685 1.00 75.09 N +ANISOU 4092 N PRO E 47 6548 13997 7986 1069 1167 -2393 N +ATOM 4093 CA PRO E 47 34.942 43.945 7.013 1.00 74.72 C +ANISOU 4093 CA PRO E 47 6995 13362 8034 1224 1145 -2311 C +ATOM 4094 C PRO E 47 35.476 43.036 5.911 1.00 76.32 C +ANISOU 4094 C PRO E 47 7110 13832 8058 1551 1271 -2569 C +ATOM 4095 O PRO E 47 34.862 42.017 5.596 1.00 78.26 O +ANISOU 4095 O PRO E 47 7732 13651 8354 1885 1224 -2583 O +ATOM 4096 CB PRO E 47 34.053 45.049 6.425 1.00 70.50 C +ANISOU 4096 CB PRO E 47 6713 12541 7532 593 1207 -2084 C +ATOM 4097 CG PRO E 47 34.390 46.278 7.204 1.00 69.44 C +ANISOU 4097 CG PRO E 47 6379 12600 7404 185 1200 -1983 C +ATOM 4098 CD PRO E 47 35.838 46.147 7.546 1.00 71.40 C +ANISOU 4098 CD PRO E 47 6075 13568 7486 356 1255 -2235 C +ATOM 4099 N TYR E 48 36.614 43.409 5.336 1.00 73.23 N +ANISOU 4099 N TYR E 48 6248 14132 7443 1417 1427 -2772 N +ATOM 4100 CA TYR E 48 37.181 42.678 4.210 1.00 75.82 C +ANISOU 4100 CA TYR E 48 6539 14643 7627 1615 1501 -2950 C +ATOM 4101 C TYR E 48 38.045 41.515 4.689 1.00 81.64 C +ANISOU 4101 C TYR E 48 7164 15495 8361 2286 1343 -3098 C +ATOM 4102 O TYR E 48 38.455 40.664 3.900 1.00 88.17 O +ANISOU 4102 O TYR E 48 8023 16386 9090 2588 1377 -3254 O +ATOM 4103 CB TYR E 48 37.987 43.626 3.324 1.00 78.82 C +ANISOU 4103 CB TYR E 48 6591 15558 7799 1062 1657 -3010 C +ATOM 4104 CG TYR E 48 37.178 44.815 2.857 1.00 79.79 C +ANISOU 4104 CG TYR E 48 6908 15520 7890 378 1790 -2824 C +ATOM 4105 CD1 TYR E 48 36.296 44.704 1.791 1.00 79.92 C +ANISOU 4105 CD1 TYR E 48 7273 15239 7855 225 1902 -2776 C +ATOM 4106 CD2 TYR E 48 37.285 46.045 3.494 1.00 80.91 C +ANISOU 4106 CD2 TYR E 48 6938 15774 8030 -118 1788 -2684 C +ATOM 4107 CE1 TYR E 48 35.547 45.787 1.366 1.00 77.73 C +ANISOU 4107 CE1 TYR E 48 7256 14734 7545 -379 1960 -2550 C +ATOM 4108 CE2 TYR E 48 36.542 47.133 3.077 1.00 81.35 C +ANISOU 4108 CE2 TYR E 48 7260 15609 8039 -726 1890 -2484 C +ATOM 4109 CZ TYR E 48 35.675 46.999 2.013 1.00 79.46 C +ANISOU 4109 CZ TYR E 48 7403 15014 7774 -833 1942 -2392 C +ATOM 4110 OH TYR E 48 34.933 48.080 1.594 1.00 79.07 O +ANISOU 4110 OH TYR E 48 7709 14635 7699 -1381 1950 -2133 O +ATOM 4111 N ASN E 49 38.317 41.489 5.990 1.00 81.21 N +ANISOU 4111 N ASN E 49 7002 15459 8394 2511 1166 -3044 N +ATOM 4112 CA ASN E 49 38.945 40.337 6.626 1.00 83.82 C +ANISOU 4112 CA ASN E 49 7352 15779 8718 3181 973 -3131 C +ATOM 4113 C ASN E 49 38.137 39.910 7.842 1.00 87.16 C +ANISOU 4113 C ASN E 49 8145 15644 9328 3465 792 -2963 C +ATOM 4114 O ASN E 49 38.668 39.790 8.946 1.00 90.98 O +ANISOU 4114 O ASN E 49 8496 16258 9815 3709 616 -2940 O +ATOM 4115 CB ASN E 49 40.386 40.650 7.031 1.00 84.56 C +ANISOU 4115 CB ASN E 49 6901 16585 8642 3208 902 -3267 C +ATOM 4116 CG ASN E 49 41.326 40.708 5.845 1.00 89.73 C +ANISOU 4116 CG ASN E 49 7226 17790 9078 3084 1041 -3481 C +ATOM 4117 OD1 ASN E 49 41.800 39.679 5.364 1.00 94.67 O +ANISOU 4117 OD1 ASN E 49 7885 18470 9616 3565 1013 -3637 O +ATOM 4118 ND2 ASN E 49 41.601 41.916 5.367 1.00 88.96 N +ANISOU 4118 ND2 ASN E 49 6842 18085 8873 2421 1190 -3489 N +ATOM 4119 N TYR E 50 36.846 39.684 7.625 1.00 85.99 N +ANISOU 4119 N TYR E 50 8479 14887 9307 3408 832 -2853 N +ATOM 4120 CA TYR E 50 35.933 39.335 8.703 1.00 87.60 C +ANISOU 4120 CA TYR E 50 9090 14517 9678 3589 673 -2689 C +ATOM 4121 C TYR E 50 35.324 37.960 8.451 1.00 94.31 C +ANISOU 4121 C TYR E 50 10545 14749 10541 3981 602 -2686 C +ATOM 4122 O TYR E 50 34.942 37.637 7.326 1.00 96.75 O +ANISOU 4122 O TYR E 50 11058 14910 10793 3901 734 -2759 O +ATOM 4123 CB TYR E 50 34.831 40.392 8.831 1.00 82.55 C +ANISOU 4123 CB TYR E 50 8576 13604 9184 3003 724 -2482 C +ATOM 4124 CG TYR E 50 34.114 40.399 10.164 1.00 79.86 C +ANISOU 4124 CG TYR E 50 8521 12796 9028 2999 529 -2256 C +ATOM 4125 CD1 TYR E 50 33.131 39.463 10.455 1.00 76.82 C +ANISOU 4125 CD1 TYR E 50 8719 11739 8729 3197 419 -2153 C +ATOM 4126 CD2 TYR E 50 34.410 41.358 11.124 1.00 81.86 C +ANISOU 4126 CD2 TYR E 50 8473 13289 9341 2748 470 -2157 C +ATOM 4127 CE1 TYR E 50 32.471 39.474 11.672 1.00 73.51 C +ANISOU 4127 CE1 TYR E 50 8552 10929 8449 3151 259 -1959 C +ATOM 4128 CE2 TYR E 50 33.756 41.377 12.342 1.00 78.48 C +ANISOU 4128 CE2 TYR E 50 8299 12454 9065 2732 305 -1965 C +ATOM 4129 CZ TYR E 50 32.789 40.434 12.610 1.00 72.71 C +ANISOU 4129 CZ TYR E 50 8126 11086 8416 2935 202 -1866 C +ATOM 4130 OH TYR E 50 32.138 40.452 13.821 1.00 69.65 O +ANISOU 4130 OH TYR E 50 7983 10329 8151 2882 55 -1686 O +ATOM 4131 N ASP E 51 35.237 37.151 9.501 1.00100.96 N +ANISOU 4131 N ASP E 51 11704 15225 11431 4354 396 -2593 N +ATOM 4132 CA ASP E 51 34.632 35.831 9.394 1.00107.02 C +ANISOU 4132 CA ASP E 51 13121 15354 12187 4639 321 -2557 C +ATOM 4133 C ASP E 51 33.216 35.897 9.959 1.00110.17 C +ANISOU 4133 C ASP E 51 14004 15129 12726 4387 271 -2370 C +ATOM 4134 O ASP E 51 33.031 35.984 11.173 1.00109.53 O +ANISOU 4134 O ASP E 51 14009 14884 12722 4431 120 -2231 O +ATOM 4135 CB ASP E 51 35.472 34.788 10.137 1.00115.74 C +ANISOU 4135 CB ASP E 51 14340 16445 13191 5187 123 -2571 C +ATOM 4136 CG ASP E 51 35.067 33.359 9.808 1.00121.50 C +ANISOU 4136 CG ASP E 51 15722 16596 13846 5466 78 -2570 C +ATOM 4137 OD1 ASP E 51 33.917 33.135 9.377 1.00119.18 O +ANISOU 4137 OD1 ASP E 51 15881 15791 13612 5191 152 -2501 O +ATOM 4138 OD2 ASP E 51 35.909 32.454 9.985 1.00127.12 O +ANISOU 4138 OD2 ASP E 51 16502 17383 14413 5950 -36 -2645 O +ATOM 4139 N LEU E 52 32.221 35.859 9.076 1.00112.84 N +ANISOU 4139 N LEU E 52 14657 15145 13073 4103 393 -2373 N +ATOM 4140 CA LEU E 52 30.829 35.958 9.502 1.00110.42 C +ANISOU 4140 CA LEU E 52 14786 14289 12878 3762 344 -2191 C +ATOM 4141 C LEU E 52 30.401 34.699 10.239 1.00117.09 C +ANISOU 4141 C LEU E 52 16237 14552 13699 3981 191 -2094 C +ATOM 4142 O LEU E 52 29.563 34.749 11.140 1.00114.68 O +ANISOU 4142 O LEU E 52 16214 13884 13476 3793 94 -1931 O +ATOM 4143 CB LEU E 52 29.907 36.185 8.302 1.00102.35 C +ANISOU 4143 CB LEU E 52 13913 13123 11853 3284 478 -2163 C +ATOM 4144 CG LEU E 52 29.931 37.541 7.595 1.00 92.08 C +ANISOU 4144 CG LEU E 52 12142 12244 10602 2792 598 -2104 C +ATOM 4145 CD1 LEU E 52 30.249 38.676 8.557 1.00 86.84 C +ANISOU 4145 CD1 LEU E 52 11078 11851 10067 2604 535 -1966 C +ATOM 4146 CD2 LEU E 52 30.923 37.501 6.448 1.00 92.60 C +ANISOU 4146 CD2 LEU E 52 11904 12781 10500 2949 760 -2338 C +ATOM 4147 N SER E 53 30.985 33.570 9.850 1.00126.98 N +ANISOU 4147 N SER E 53 17687 15737 14824 4321 172 -2179 N +ATOM 4148 CA SER E 53 30.729 32.305 10.523 1.00129.89 C +ANISOU 4148 CA SER E 53 18633 15603 15118 4510 26 -2075 C +ATOM 4149 C SER E 53 31.301 32.337 11.933 1.00129.07 C +ANISOU 4149 C SER E 53 18430 15589 15023 4773 -161 -1970 C +ATOM 4150 O SER E 53 30.717 31.781 12.863 1.00133.07 O +ANISOU 4150 O SER E 53 19385 15668 15506 4724 -285 -1812 O +ATOM 4151 CB SER E 53 31.319 31.139 9.729 1.00135.52 C +ANISOU 4151 CB SER E 53 19568 16258 15666 4860 52 -2214 C +ATOM 4152 OG SER E 53 30.512 30.833 8.605 1.00136.16 O +ANISOU 4152 OG SER E 53 19938 16081 15714 4561 196 -2273 O +ATOM 4153 N GLY E 54 32.447 32.993 12.086 1.00124.58 N +ANISOU 4153 N GLY E 54 17262 15616 14457 5011 -176 -2064 N +ATOM 4154 CA GLY E 54 33.070 33.121 13.388 1.00119.84 C +ANISOU 4154 CA GLY E 54 16497 15193 13842 5244 -355 -1986 C +ATOM 4155 C GLY E 54 32.269 34.074 14.250 1.00108.06 C +ANISOU 4155 C GLY E 54 14953 13588 12517 4865 -379 -1831 C +ATOM 4156 O GLY E 54 31.458 34.849 13.742 1.00105.57 O +ANISOU 4156 O GLY E 54 14574 13214 12325 4463 -247 -1820 O +ATOM 4157 N ARG E 55 32.501 34.025 15.556 1.00103.06 N +ANISOU 4157 N ARG E 55 14355 12935 11867 5006 -551 -1721 N +ATOM 4158 CA ARG E 55 31.767 34.871 16.485 1.00 98.48 C +ANISOU 4158 CA ARG E 55 13750 12231 11437 4675 -588 -1574 C +ATOM 4159 C ARG E 55 32.710 35.769 17.284 1.00 93.52 C +ANISOU 4159 C ARG E 55 12530 12171 10833 4784 -665 -1598 C +ATOM 4160 O ARG E 55 32.596 35.868 18.504 1.00 94.66 O +ANISOU 4160 O ARG E 55 12764 12213 10991 4784 -805 -1473 O +ATOM 4161 CB ARG E 55 30.924 34.018 17.437 1.00107.68 C +ANISOU 4161 CB ARG E 55 15574 12790 12551 4604 -714 -1394 C +ATOM 4162 CG ARG E 55 29.808 33.209 16.773 1.00114.47 C +ANISOU 4162 CG ARG E 55 17016 13106 13373 4338 -630 -1352 C +ATOM 4163 CD ARG E 55 28.865 34.070 15.941 1.00114.41 C +ANISOU 4163 CD ARG E 55 16887 13063 13522 3875 -464 -1372 C +ATOM 4164 NE ARG E 55 27.615 33.369 15.646 1.00116.66 N +ANISOU 4164 NE ARG E 55 17721 12845 13758 3509 -416 -1296 N +ATOM 4165 CZ ARG E 55 27.271 32.908 14.447 1.00116.85 C +ANISOU 4165 CZ ARG E 55 17914 12758 13725 3402 -298 -1385 C +ATOM 4166 NH1 ARG E 55 28.084 33.067 13.412 1.00117.73 N +ANISOU 4166 NH1 ARG E 55 17712 13197 13822 3646 -208 -1553 N +ATOM 4167 NH2 ARG E 55 26.112 32.285 14.283 1.00114.73 N +ANISOU 4167 NH2 ARG E 55 18105 12096 13393 3021 -263 -1313 N +ATOM 4168 N GLN E 56 33.644 36.415 16.591 1.00 96.68 N +ANISOU 4168 N GLN E 56 12459 13455 10820 4603 -422 -3153 N +ATOM 4169 CA GLN E 56 34.564 37.354 17.228 1.00 86.62 C +ANISOU 4169 CA GLN E 56 10731 12552 9629 4552 -257 -2847 C +ATOM 4170 C GLN E 56 33.831 38.553 17.816 1.00 81.10 C +ANISOU 4170 C GLN E 56 9857 11913 9045 3975 -179 -2583 C +ATOM 4171 O GLN E 56 34.223 39.078 18.859 1.00 78.80 O +ANISOU 4171 O GLN E 56 9368 11663 8910 3774 -172 -2352 O +ATOM 4172 CB GLN E 56 35.625 37.830 16.231 1.00 85.72 C +ANISOU 4172 CB GLN E 56 10248 12988 9335 4859 -17 -2794 C +ATOM 4173 CG GLN E 56 36.617 38.832 16.809 1.00 85.44 C +ANISOU 4173 CG GLN E 56 9713 13347 9402 4761 154 -2490 C +ATOM 4174 CD GLN E 56 37.504 38.240 17.888 1.00 89.46 C +ANISOU 4174 CD GLN E 56 10175 13770 10046 4978 14 -2446 C +ATOM 4175 OE1 GLN E 56 37.658 37.022 17.987 1.00 93.81 O +ANISOU 4175 OE1 GLN E 56 11052 14011 10581 5292 -162 -2603 O +ATOM 4176 NE2 GLN E 56 38.088 39.104 18.711 1.00 88.06 N +ANISOU 4176 NE2 GLN E 56 9597 13859 10002 4795 85 -2220 N +ATOM 4177 N ALA E 57 32.778 38.981 17.125 1.00 77.93 N +ANISOU 4177 N ALA E 57 9530 11534 8544 3738 -122 -2629 N +ATOM 4178 CA ALA E 57 31.947 40.111 17.539 1.00 74.84 C +ANISOU 4178 CA ALA E 57 9015 11193 8229 3234 -26 -2390 C +ATOM 4179 C ALA E 57 31.643 40.133 19.037 1.00 76.10 C +ANISOU 4179 C ALA E 57 9270 11023 8621 2884 -171 -2204 C +ATOM 4180 O ALA E 57 31.846 41.149 19.701 1.00 77.77 O +ANISOU 4180 O ALA E 57 9231 11394 8923 2632 -52 -1965 O +ATOM 4181 CB ALA E 57 30.648 40.106 16.750 1.00 58.30 C +ANISOU 4181 CB ALA E 57 7118 9031 6004 3064 -52 -2512 C +ATOM 4182 N ILE E 58 31.172 39.009 19.568 1.00 76.56 N +ANISOU 4182 N ILE E 58 9701 10616 8774 2878 -422 -2314 N +ATOM 4183 CA ILE E 58 30.760 38.946 20.967 1.00 73.13 C +ANISOU 4183 CA ILE E 58 9394 9861 8532 2568 -557 -2123 C +ATOM 4184 C ILE E 58 31.965 38.984 21.910 1.00 72.01 C +ANISOU 4184 C ILE E 58 9064 9820 8477 2731 -574 -1990 C +ATOM 4185 O ILE E 58 31.844 39.393 23.066 1.00 71.81 O +ANISOU 4185 O ILE E 58 9001 9719 8564 2469 -616 -1785 O +ATOM 4186 CB ILE E 58 29.913 37.681 21.248 1.00 76.15 C +ANISOU 4186 CB ILE E 58 10230 9697 9006 2514 -804 -2248 C +ATOM 4187 CG1 ILE E 58 29.264 37.759 22.632 1.00 75.54 C +ANISOU 4187 CG1 ILE E 58 10268 9332 9102 2148 -900 -1998 C +ATOM 4188 CG2 ILE E 58 30.745 36.416 21.083 1.00 77.88 C +ANISOU 4188 CG2 ILE E 58 10653 9709 9227 2982 -933 -2455 C +ATOM 4189 CD1 ILE E 58 28.230 36.691 22.875 1.00 77.63 C +ANISOU 4189 CD1 ILE E 58 10940 9073 9481 1990 -1100 -2061 C +ATOM 4190 N ARG E 59 33.130 38.579 21.414 1.00 73.19 N +ANISOU 4190 N ARG E 59 9077 10180 8552 3181 -541 -2108 N +ATOM 4191 CA ARG E 59 34.342 38.636 22.222 1.00 71.64 C +ANISOU 4191 CA ARG E 59 8636 10168 8416 3364 -559 -1985 C +ATOM 4192 C ARG E 59 34.834 40.075 22.281 1.00 71.99 C +ANISOU 4192 C ARG E 59 8216 10673 8465 3140 -354 -1809 C +ATOM 4193 O ARG E 59 35.344 40.530 23.306 1.00 70.67 O +ANISOU 4193 O ARG E 59 7855 10607 8390 3002 -393 -1650 O +ATOM 4194 CB ARG E 59 35.428 37.719 21.654 1.00 72.56 C +ANISOU 4194 CB ARG E 59 8738 10389 8444 3950 -578 -2151 C +ATOM 4195 CG ARG E 59 35.038 36.251 21.578 1.00 80.54 C +ANISOU 4195 CG ARG E 59 10246 10889 9465 4206 -774 -2348 C +ATOM 4196 CD ARG E 59 36.167 35.415 20.988 1.00 93.91 C +ANISOU 4196 CD ARG E 59 11927 12708 11048 4840 -762 -2513 C +ATOM 4197 NE ARG E 59 35.822 33.998 20.905 1.00101.77 N +ANISOU 4197 NE ARG E 59 13443 13157 12068 5100 -941 -2720 N +ATOM 4198 CZ ARG E 59 36.152 33.093 21.821 1.00104.23 C +ANISOU 4198 CZ ARG E 59 13979 13135 12489 5307 -1095 -2651 C +ATOM 4199 NH1 ARG E 59 35.796 31.825 21.662 1.00109.63 N +ANISOU 4199 NH1 ARG E 59 15169 13272 13214 5525 -1234 -2845 N +ATOM 4200 NH2 ARG E 59 36.840 33.454 22.896 1.00100.73 N +ANISOU 4200 NH2 ARG E 59 13263 12901 12109 5300 -1112 -2392 N +ATOM 4201 N ASP E 60 34.677 40.786 21.169 1.00 72.85 N +ANISOU 4201 N ASP E 60 8156 11055 8469 3107 -136 -1840 N +ATOM 4202 CA ASP E 60 34.952 42.215 21.124 1.00 71.47 C +ANISOU 4202 CA ASP E 60 7592 11243 8322 2838 95 -1659 C +ATOM 4203 C ASP E 60 33.938 42.969 21.979 1.00 61.90 C +ANISOU 4203 C ASP E 60 6491 9817 7210 2330 77 -1502 C +ATOM 4204 O ASP E 60 34.281 43.930 22.668 1.00 53.31 O +ANISOU 4204 O ASP E 60 5167 8872 6217 2071 149 -1345 O +ATOM 4205 CB ASP E 60 34.922 42.729 19.683 1.00 77.11 C +ANISOU 4205 CB ASP E 60 8145 12271 8883 2960 352 -1701 C +ATOM 4206 CG ASP E 60 36.125 42.278 18.878 1.00 85.05 C +ANISOU 4206 CG ASP E 60 8928 13612 9777 3466 438 -1800 C +ATOM 4207 OD1 ASP E 60 36.927 41.476 19.402 1.00 88.29 O +ANISOU 4207 OD1 ASP E 60 9337 13983 10226 3744 283 -1854 O +ATOM 4208 OD2 ASP E 60 36.270 42.727 17.721 1.00 88.56 O +ANISOU 4208 OD2 ASP E 60 9192 14379 10076 3614 674 -1805 O +ATOM 4209 N GLU E 61 32.687 42.519 21.918 1.00 59.67 N +ANISOU 4209 N GLU E 61 6569 9198 6903 2192 -21 -1556 N +ATOM 4210 CA GLU E 61 31.589 43.139 22.655 1.00 58.14 C +ANISOU 4210 CA GLU E 61 6508 8804 6777 1754 -27 -1401 C +ATOM 4211 C GLU E 61 31.806 43.136 24.163 1.00 54.49 C +ANISOU 4211 C GLU E 61 6079 8183 6440 1597 -180 -1274 C +ATOM 4212 O GLU E 61 31.772 44.188 24.802 1.00 49.13 O +ANISOU 4212 O GLU E 61 5256 7600 5812 1308 -90 -1124 O +ATOM 4213 CB GLU E 61 30.271 42.427 22.337 1.00 62.76 C +ANISOU 4213 CB GLU E 61 7455 9071 7321 1672 -142 -1488 C +ATOM 4214 CG GLU E 61 29.597 42.883 21.056 1.00 67.26 C +ANISOU 4214 CG GLU E 61 7986 9825 7743 1650 26 -1544 C +ATOM 4215 CD GLU E 61 28.470 41.960 20.640 1.00 73.07 C +ANISOU 4215 CD GLU E 61 9053 10281 8431 1619 -141 -1698 C +ATOM 4216 OE1 GLU E 61 27.576 41.700 21.474 1.00 74.78 O +ANISOU 4216 OE1 GLU E 61 9479 10185 8750 1345 -276 -1607 O +ATOM 4217 OE2 GLU E 61 28.478 41.494 19.481 1.00 74.01 O +ANISOU 4217 OE2 GLU E 61 9214 10503 8405 1864 -140 -1913 O +ATOM 4218 N ILE E 62 32.029 41.952 24.726 1.00 60.09 N +ANISOU 4218 N ILE E 62 6998 8647 7188 1806 -407 -1338 N +ATOM 4219 CA ILE E 62 32.163 41.802 26.173 1.00 65.65 C +ANISOU 4219 CA ILE E 62 7772 9198 7973 1708 -569 -1208 C +ATOM 4220 C ILE E 62 33.409 42.514 26.701 1.00 69.31 C +ANISOU 4220 C ILE E 62 7859 10018 8456 1739 -537 -1150 C +ATOM 4221 O ILE E 62 33.415 43.017 27.824 1.00 71.25 O +ANISOU 4221 O ILE E 62 8070 10263 8740 1522 -601 -1030 O +ATOM 4222 CB ILE E 62 32.195 40.306 26.582 1.00 67.39 C +ANISOU 4222 CB ILE E 62 8308 9071 8226 1984 -798 -1267 C +ATOM 4223 CG1 ILE E 62 32.105 40.159 28.103 1.00 68.36 C +ANISOU 4223 CG1 ILE E 62 8546 9022 8406 1870 -953 -1087 C +ATOM 4224 CG2 ILE E 62 33.439 39.608 26.044 1.00 69.47 C +ANISOU 4224 CG2 ILE E 62 8445 9501 8448 2464 -827 -1411 C +ATOM 4225 CD1 ILE E 62 31.888 38.735 28.566 1.00 73.85 C +ANISOU 4225 CD1 ILE E 62 9606 9299 9153 2085 -1146 -1081 C +ATOM 4226 N GLU E 63 34.453 42.569 25.882 1.00 68.63 N +ANISOU 4226 N GLU E 63 7481 10259 8337 2005 -438 -1240 N +ATOM 4227 CA GLU E 63 35.678 43.268 26.244 1.00 68.96 C +ANISOU 4227 CA GLU E 63 7099 10689 8414 2010 -398 -1190 C +ATOM 4228 C GLU E 63 35.448 44.776 26.282 1.00 63.49 C +ANISOU 4228 C GLU E 63 6198 10154 7772 1581 -203 -1090 C +ATOM 4229 O GLU E 63 35.849 45.451 27.231 1.00 65.38 O +ANISOU 4229 O GLU E 63 6273 10497 8073 1359 -254 -1023 O +ATOM 4230 CB GLU E 63 36.804 42.911 25.274 1.00 75.10 C +ANISOU 4230 CB GLU E 63 7600 11795 9140 2421 -313 -1286 C +ATOM 4231 CG GLU E 63 37.550 41.643 25.666 1.00 86.41 C +ANISOU 4231 CG GLU E 63 9106 13183 10542 2870 -521 -1347 C +ATOM 4232 CD GLU E 63 38.668 41.291 24.706 1.00100.00 C +ANISOU 4232 CD GLU E 63 10548 15258 12191 3323 -419 -1433 C +ATOM 4233 OE1 GLU E 63 38.535 41.589 23.501 1.00100.72 O +ANISOU 4233 OE1 GLU E 63 10568 15483 12217 3374 -211 -1495 O +ATOM 4234 OE2 GLU E 63 39.678 40.711 25.158 1.00109.10 O +ANISOU 4234 OE2 GLU E 63 11544 16579 13330 3657 -540 -1424 O +ATOM 4235 N LEU E 64 34.804 45.297 25.241 1.00 54.31 N +ANISOU 4235 N LEU E 64 5057 9005 6575 1480 19 -1087 N +ATOM 4236 CA LEU E 64 34.576 46.733 25.119 1.00 57.49 C +ANISOU 4236 CA LEU E 64 5286 9530 7028 1117 251 -974 C +ATOM 4237 C LEU E 64 33.616 47.225 26.197 1.00 59.43 C +ANISOU 4237 C LEU E 64 5771 9501 7307 757 185 -881 C +ATOM 4238 O LEU E 64 33.747 48.343 26.695 1.00 62.37 O +ANISOU 4238 O LEU E 64 6004 9944 7750 458 282 -805 O +ATOM 4239 CB LEU E 64 34.026 47.075 23.733 1.00 59.21 C +ANISOU 4239 CB LEU E 64 5505 9828 7164 1158 504 -968 C +ATOM 4240 CG LEU E 64 33.979 48.561 23.371 1.00 58.31 C +ANISOU 4240 CG LEU E 64 5174 9880 7103 868 807 -825 C +ATOM 4241 CD1 LEU E 64 35.377 49.166 23.388 1.00 57.36 C +ANISOU 4241 CD1 LEU E 64 4609 10092 7092 857 908 -791 C +ATOM 4242 CD2 LEU E 64 33.310 48.771 22.021 1.00 45.83 C +ANISOU 4242 CD2 LEU E 64 3638 8379 5396 966 1040 -798 C +ATOM 4243 N ALA E 65 32.646 46.385 26.545 1.00 57.33 N +ANISOU 4243 N ALA E 65 5873 8917 6994 788 28 -887 N +ATOM 4244 CA ALA E 65 31.687 46.715 27.591 1.00 52.93 C +ANISOU 4244 CA ALA E 65 5555 8112 6445 499 -35 -776 C +ATOM 4245 C ALA E 65 32.384 46.822 28.942 1.00 50.00 C +ANISOU 4245 C ALA E 65 5110 7778 6109 439 -210 -756 C +ATOM 4246 O ALA E 65 32.083 47.712 29.738 1.00 43.89 O +ANISOU 4246 O ALA E 65 4360 6972 5345 156 -177 -683 O +ATOM 4247 CB ALA E 65 30.577 45.676 27.644 1.00 50.82 C +ANISOU 4247 CB ALA E 65 5656 7517 6135 555 -167 -768 C +ATOM 4248 N ILE E 66 33.318 45.909 29.191 1.00 56.24 N +ANISOU 4248 N ILE E 66 5817 8651 6899 733 -397 -828 N +ATOM 4249 CA ILE E 66 34.099 45.914 30.424 1.00 55.61 C +ANISOU 4249 CA ILE E 66 5626 8681 6821 738 -591 -818 C +ATOM 4250 C ILE E 66 34.983 47.157 30.505 1.00 52.25 C +ANISOU 4250 C ILE E 66 4814 8581 6457 519 -490 -848 C +ATOM 4251 O ILE E 66 35.085 47.787 31.559 1.00 52.99 O +ANISOU 4251 O ILE E 66 4881 8704 6548 294 -577 -835 O +ATOM 4252 CB ILE E 66 34.971 44.645 30.542 1.00 56.55 C +ANISOU 4252 CB ILE E 66 5712 8860 6915 1163 -792 -872 C +ATOM 4253 CG1 ILE E 66 34.103 43.435 30.888 1.00 58.54 C +ANISOU 4253 CG1 ILE E 66 6396 8713 7134 1317 -934 -820 C +ATOM 4254 CG2 ILE E 66 36.045 44.821 31.599 1.00 52.52 C +ANISOU 4254 CG2 ILE E 66 4947 8619 6388 1199 -968 -873 C +ATOM 4255 CD1 ILE E 66 34.867 42.131 30.946 1.00 59.43 C +ANISOU 4255 CD1 ILE E 66 6546 8805 7228 1770 -1105 -861 C +ATOM 4256 N GLU E 67 35.607 47.508 29.383 1.00 56.85 N +ANISOU 4256 N GLU E 67 5102 9404 7095 578 -302 -889 N +ATOM 4257 CA GLU E 67 36.474 48.681 29.314 1.00 63.30 C +ANISOU 4257 CA GLU E 67 5523 10518 8012 345 -172 -899 C +ATOM 4258 C GLU E 67 35.722 49.946 29.710 1.00 63.68 C +ANISOU 4258 C GLU E 67 5689 10403 8105 -91 -32 -844 C +ATOM 4259 O GLU E 67 36.251 50.799 30.424 1.00 66.93 O +ANISOU 4259 O GLU E 67 5923 10922 8584 -356 -67 -879 O +ATOM 4260 CB GLU E 67 37.057 48.839 27.907 1.00 63.74 C +ANISOU 4260 CB GLU E 67 5283 10825 8109 491 67 -900 C +ATOM 4261 CG GLU E 67 37.932 50.071 27.736 1.00 69.38 C +ANISOU 4261 CG GLU E 67 5569 11829 8964 219 243 -873 C +ATOM 4262 CD GLU E 67 38.497 50.199 26.334 1.00 80.67 C +ANISOU 4262 CD GLU E 67 6699 13531 10420 395 509 -829 C +ATOM 4263 OE1 GLU E 67 39.000 51.290 25.993 1.00 84.99 O +ANISOU 4263 OE1 GLU E 67 6932 14259 11101 139 730 -759 O +ATOM 4264 OE2 GLU E 67 38.440 49.209 25.575 1.00 85.76 O +ANISOU 4264 OE2 GLU E 67 7433 14202 10951 793 504 -863 O +ATOM 4265 N LEU E 68 34.482 50.056 29.247 1.00 59.48 N +ANISOU 4265 N LEU E 68 5459 9613 7526 -154 120 -769 N +ATOM 4266 CA LEU E 68 33.643 51.200 29.576 1.00 61.04 C +ANISOU 4266 CA LEU E 68 5815 9634 7742 -503 278 -695 C +ATOM 4267 C LEU E 68 33.139 51.116 31.013 1.00 60.56 C +ANISOU 4267 C LEU E 68 6019 9382 7609 -617 66 -693 C +ATOM 4268 O LEU E 68 33.067 52.123 31.716 1.00 63.80 O +ANISOU 4268 O LEU E 68 6453 9746 8043 -900 104 -701 O +ATOM 4269 CB LEU E 68 32.457 51.289 28.613 1.00 60.51 C +ANISOU 4269 CB LEU E 68 5960 9410 7620 -488 502 -594 C +ATOM 4270 CG LEU E 68 31.474 52.437 28.850 1.00 59.70 C +ANISOU 4270 CG LEU E 68 6044 9124 7515 -784 702 -484 C +ATOM 4271 CD1 LEU E 68 32.175 53.784 28.740 1.00 57.31 C +ANISOU 4271 CD1 LEU E 68 5498 8931 7348 -1040 911 -479 C +ATOM 4272 CD2 LEU E 68 30.297 52.355 27.887 1.00 58.05 C +ANISOU 4272 CD2 LEU E 68 6016 8822 7219 -710 886 -375 C +ATOM 4273 N ALA E 69 32.803 49.903 31.442 1.00 53.16 N +ANISOU 4273 N ALA E 69 5294 8325 6581 -384 -150 -680 N +ATOM 4274 CA ALA E 69 32.264 49.675 32.779 1.00 48.42 C +ANISOU 4274 CA ALA E 69 4959 7554 5885 -434 -340 -635 C +ATOM 4275 C ALA E 69 33.264 49.992 33.892 1.00 51.51 C +ANISOU 4275 C ALA E 69 5174 8138 6261 -499 -540 -731 C +ATOM 4276 O ALA E 69 32.874 50.433 34.974 1.00 48.65 O +ANISOU 4276 O ALA E 69 4982 7689 5813 -653 -617 -719 O +ATOM 4277 CB ALA E 69 31.782 48.237 32.906 1.00 41.86 C +ANISOU 4277 CB ALA E 69 4371 6545 4988 -158 -508 -575 C +ATOM 4278 N ARG E 70 34.548 49.769 33.630 1.00 54.36 N +ANISOU 4278 N ARG E 70 5182 8790 6684 -367 -627 -829 N +ATOM 4279 CA ARG E 70 35.579 50.055 34.624 1.00 56.05 C +ANISOU 4279 CA ARG E 70 5161 9257 6878 -431 -842 -935 C +ATOM 4280 C ARG E 70 35.765 51.555 34.839 1.00 62.14 C +ANISOU 4280 C ARG E 70 5797 10079 7735 -850 -723 -1022 C +ATOM 4281 O ARG E 70 36.390 51.977 35.810 1.00 69.07 O +ANISOU 4281 O ARG E 70 6548 11116 8579 -990 -911 -1139 O +ATOM 4282 CB ARG E 70 36.909 49.406 34.233 1.00 60.84 C +ANISOU 4282 CB ARG E 70 5381 10205 7530 -162 -957 -997 C +ATOM 4283 CG ARG E 70 36.938 47.897 34.446 1.00 65.49 C +ANISOU 4283 CG ARG E 70 6125 10744 8013 279 -1153 -938 C +ATOM 4284 CD ARG E 70 38.360 47.368 34.582 1.00 72.46 C +ANISOU 4284 CD ARG E 70 6623 12021 8887 556 -1338 -1000 C +ATOM 4285 NE ARG E 70 38.372 45.976 35.025 1.00 76.51 N +ANISOU 4285 NE ARG E 70 7337 12449 9284 987 -1538 -927 N +ATOM 4286 CZ ARG E 70 38.668 44.941 34.245 1.00 80.50 C +ANISOU 4286 CZ ARG E 70 7842 12941 9804 1379 -1517 -908 C +ATOM 4287 NH1 ARG E 70 38.994 45.141 32.976 1.00 84.30 N +ANISOU 4287 NH1 ARG E 70 8110 13539 10382 1411 -1310 -960 N +ATOM 4288 NH2 ARG E 70 38.647 43.708 34.735 1.00 79.08 N +ANISOU 4288 NH2 ARG E 70 7890 12625 9532 1760 -1691 -832 N +ATOM 4289 N GLU E 71 35.227 52.358 33.927 1.00 63.79 N +ANISOU 4289 N GLU E 71 6041 10148 8047 -1042 -412 -969 N +ATOM 4290 CA GLU E 71 35.333 53.813 34.030 1.00 66.28 C +ANISOU 4290 CA GLU E 71 6276 10434 8472 -1441 -250 -1032 C +ATOM 4291 C GLU E 71 34.061 54.458 34.580 1.00 61.87 C +ANISOU 4291 C GLU E 71 6138 9544 7824 -1615 -143 -976 C +ATOM 4292 O GLU E 71 34.135 55.456 35.294 1.00 59.32 O +ANISOU 4292 O GLU E 71 5863 9161 7516 -1899 -146 -1078 O +ATOM 4293 CB GLU E 71 35.684 54.427 32.674 1.00 73.81 C +ANISOU 4293 CB GLU E 71 6966 11470 9608 -1535 63 -981 C +ATOM 4294 CG GLU E 71 37.118 54.164 32.233 1.00 90.36 C +ANISOU 4294 CG GLU E 71 8567 13950 11816 -1446 -4 -1044 C +ATOM 4295 CD GLU E 71 38.144 54.712 33.219 1.00104.75 C +ANISOU 4295 CD GLU E 71 10115 15982 13703 -1699 -221 -1210 C +ATOM 4296 OE1 GLU E 71 37.931 55.825 33.751 1.00110.84 O +ANISOU 4296 OE1 GLU E 71 10987 16592 14537 -2074 -165 -1285 O +ATOM 4297 OE2 GLU E 71 39.170 54.037 33.453 1.00114.07 O +ANISOU 4297 OE2 GLU E 71 10978 17498 14865 -1515 -451 -1274 O +ATOM 4298 N VAL E 72 32.902 53.892 34.257 1.00 58.43 N +ANISOU 4298 N VAL E 72 6005 8902 7292 -1446 -53 -823 N +ATOM 4299 CA VAL E 72 31.641 54.544 34.594 1.00 56.13 C +ANISOU 4299 CA VAL E 72 6073 8335 6920 -1584 105 -728 C +ATOM 4300 C VAL E 72 30.850 53.798 35.664 1.00 59.44 C +ANISOU 4300 C VAL E 72 6811 8630 7142 -1439 -92 -659 C +ATOM 4301 O VAL E 72 29.837 54.301 36.151 1.00 66.56 O +ANISOU 4301 O VAL E 72 8005 9341 7945 -1528 11 -576 O +ATOM 4302 CB VAL E 72 30.757 54.712 33.342 1.00 56.81 C +ANISOU 4302 CB VAL E 72 6239 8302 7045 -1550 417 -568 C +ATOM 4303 CG1 VAL E 72 31.525 55.448 32.260 1.00 55.65 C +ANISOU 4303 CG1 VAL E 72 5780 8289 7077 -1663 645 -592 C +ATOM 4304 CG2 VAL E 72 30.280 53.357 32.837 1.00 52.25 C +ANISOU 4304 CG2 VAL E 72 5738 7717 6397 -1256 327 -479 C +ATOM 4305 N SER E 73 31.321 52.605 36.020 1.00 58.35 N +ANISOU 4305 N SER E 73 6616 8606 6949 -1195 -355 -671 N +ATOM 4306 CA SER E 73 30.738 51.797 37.096 1.00 51.96 C +ANISOU 4306 CA SER E 73 6079 7702 5963 -1034 -554 -580 C +ATOM 4307 C SER E 73 29.212 51.668 37.042 1.00 52.21 C +ANISOU 4307 C SER E 73 6448 7472 5917 -1029 -397 -376 C +ATOM 4308 O SER E 73 28.509 52.228 37.886 1.00 49.88 O +ANISOU 4308 O SER E 73 6381 7077 5495 -1126 -358 -320 O +ATOM 4309 CB SER E 73 31.150 52.374 38.452 1.00 47.42 C +ANISOU 4309 CB SER E 73 5536 7223 5260 -1142 -732 -700 C +ATOM 4310 OG SER E 73 32.476 52.002 38.782 1.00 55.61 O +ANISOU 4310 OG SER E 73 6277 8543 6308 -1049 -985 -846 O +ATOM 4311 N PRO E 74 28.694 50.930 36.050 1.00 51.02 N +ANISOU 4311 N PRO E 74 6322 7232 5833 -910 -310 -271 N +ATOM 4312 CA PRO E 74 27.246 50.745 35.912 1.00 45.87 C +ANISOU 4312 CA PRO E 74 5934 6374 5122 -923 -176 -75 C +ATOM 4313 C PRO E 74 26.700 49.711 36.892 1.00 45.57 C +ANISOU 4313 C PRO E 74 6125 6215 4974 -780 -361 71 C +ATOM 4314 O PRO E 74 27.476 49.048 37.581 1.00 45.00 O +ANISOU 4314 O PRO E 74 6017 6215 4867 -627 -592 23 O +ATOM 4315 CB PRO E 74 27.101 50.257 34.472 1.00 41.75 C +ANISOU 4315 CB PRO E 74 5308 5844 4711 -849 -70 -70 C +ATOM 4316 CG PRO E 74 28.352 49.485 34.239 1.00 48.29 C +ANISOU 4316 CG PRO E 74 5929 6809 5611 -663 -254 -213 C +ATOM 4317 CD PRO E 74 29.437 50.213 34.998 1.00 47.20 C +ANISOU 4317 CD PRO E 74 5612 6854 5468 -748 -341 -344 C +ATOM 4318 N ASP E 75 25.379 49.581 36.952 1.00 40.99 N +ANISOU 4318 N ASP E 75 5762 5473 4339 -821 -249 272 N +ATOM 4319 CA ASP E 75 24.748 48.581 37.805 1.00 40.33 C +ANISOU 4319 CA ASP E 75 5892 5255 4176 -708 -382 463 C +ATOM 4320 C ASP E 75 24.902 47.181 37.221 1.00 39.64 C +ANISOU 4320 C ASP E 75 5797 5054 4210 -549 -517 476 C +ATOM 4321 O ASP E 75 24.947 46.193 37.956 1.00 38.37 O +ANISOU 4321 O ASP E 75 5763 4793 4022 -398 -686 582 O +ATOM 4322 CB ASP E 75 23.263 48.897 38.004 1.00 45.72 C +ANISOU 4322 CB ASP E 75 6768 5827 4776 -818 -202 696 C +ATOM 4323 CG ASP E 75 23.035 50.152 38.821 1.00 55.26 C +ANISOU 4323 CG ASP E 75 8065 7105 5826 -912 -81 703 C +ATOM 4324 OD1 ASP E 75 23.586 50.243 39.939 1.00 65.49 O +ANISOU 4324 OD1 ASP E 75 9419 8469 6996 -845 -227 650 O +ATOM 4325 OD2 ASP E 75 22.303 51.046 38.348 1.00 53.89 O +ANISOU 4325 OD2 ASP E 75 7914 6922 5638 -1032 158 756 O +ATOM 4326 N VAL E 76 24.986 47.101 35.896 1.00 37.77 N +ANISOU 4326 N VAL E 76 5430 4826 4096 -565 -434 369 N +ATOM 4327 CA VAL E 76 25.002 45.816 35.209 1.00 40.13 C +ANISOU 4327 CA VAL E 76 5762 4981 4504 -422 -542 347 C +ATOM 4328 C VAL E 76 25.485 45.977 33.766 1.00 42.02 C +ANISOU 4328 C VAL E 76 5802 5334 4830 -393 -454 155 C +ATOM 4329 O VAL E 76 25.366 47.054 33.180 1.00 42.25 O +ANISOU 4329 O VAL E 76 5705 5504 4845 -528 -259 118 O +ATOM 4330 CB VAL E 76 23.595 45.164 35.225 1.00 45.14 C +ANISOU 4330 CB VAL E 76 6611 5382 5157 -513 -514 556 C +ATOM 4331 CG1 VAL E 76 22.632 45.940 34.335 1.00 41.15 C +ANISOU 4331 CG1 VAL E 76 6055 4939 4643 -702 -296 587 C +ATOM 4332 CG2 VAL E 76 23.660 43.699 34.812 1.00 46.26 C +ANISOU 4332 CG2 VAL E 76 6855 5299 5423 -371 -673 528 C +ATOM 4333 N ILE E 77 26.049 44.911 33.206 1.00 43.36 N +ANISOU 4333 N ILE E 77 5957 5440 5079 -188 -585 43 N +ATOM 4334 CA ILE E 77 26.437 44.900 31.800 1.00 44.97 C +ANISOU 4334 CA ILE E 77 6001 5753 5334 -109 -505 -134 C +ATOM 4335 C ILE E 77 25.496 44.003 31.001 1.00 49.67 C +ANISOU 4335 C ILE E 77 6763 6138 5972 -108 -526 -136 C +ATOM 4336 O ILE E 77 25.291 42.840 31.349 1.00 57.27 O +ANISOU 4336 O ILE E 77 7925 6842 6992 -18 -690 -102 O +ATOM 4337 CB ILE E 77 27.887 44.413 31.609 1.00 48.61 C +ANISOU 4337 CB ILE E 77 6292 6348 5830 163 -624 -301 C +ATOM 4338 CG1 ILE E 77 28.877 45.449 32.146 1.00 52.57 C +ANISOU 4338 CG1 ILE E 77 6544 7127 6304 110 -592 -340 C +ATOM 4339 CG2 ILE E 77 28.170 44.130 30.141 1.00 42.10 C +ANISOU 4339 CG2 ILE E 77 5357 5604 5035 308 -551 -470 C +ATOM 4340 CD1 ILE E 77 30.317 44.989 32.101 1.00 55.58 C +ANISOU 4340 CD1 ILE E 77 6709 7698 6709 377 -720 -472 C +ATOM 4341 N HIS E 78 24.928 44.547 29.930 1.00 50.25 N +ANISOU 4341 N HIS E 78 6755 6320 6018 -211 -361 -177 N +ATOM 4342 CA HIS E 78 24.057 43.773 29.051 1.00 51.03 C +ANISOU 4342 CA HIS E 78 6974 6277 6138 -228 -398 -226 C +ATOM 4343 C HIS E 78 24.786 43.310 27.796 1.00 53.78 C +ANISOU 4343 C HIS E 78 7228 6722 6485 4 -418 -476 C +ATOM 4344 O HIS E 78 25.263 44.125 27.007 1.00 52.84 O +ANISOU 4344 O HIS E 78 6890 6883 6302 55 -253 -550 O +ATOM 4345 CB HIS E 78 22.824 44.589 28.657 1.00 49.42 C +ANISOU 4345 CB HIS E 78 6746 6170 5863 -460 -221 -98 C +ATOM 4346 CG HIS E 78 21.784 44.672 29.730 1.00 52.44 C +ANISOU 4346 CG HIS E 78 7275 6408 6242 -662 -222 153 C +ATOM 4347 ND1 HIS E 78 20.577 45.311 29.548 1.00 51.63 N +ANISOU 4347 ND1 HIS E 78 7159 6389 6070 -851 -72 313 N +ATOM 4348 CD2 HIS E 78 21.771 44.196 30.997 1.00 52.85 C +ANISOU 4348 CD2 HIS E 78 7480 6269 6331 -673 -341 294 C +ATOM 4349 CE1 HIS E 78 19.864 45.224 30.657 1.00 53.11 C +ANISOU 4349 CE1 HIS E 78 7480 6444 6257 -974 -92 540 C +ATOM 4350 NE2 HIS E 78 20.565 44.552 31.552 1.00 51.69 N +ANISOU 4350 NE2 HIS E 78 7409 6093 6138 -871 -253 535 N +ATOM 4351 N LEU E 79 24.865 41.996 27.617 1.00 58.39 N +ANISOU 4351 N LEU E 79 7990 7059 7135 157 -605 -597 N +ATOM 4352 CA LEU E 79 25.462 41.424 26.417 1.00 63.60 C +ANISOU 4352 CA LEU E 79 8614 7780 7770 414 -635 -856 C +ATOM 4353 C LEU E 79 24.367 41.040 25.428 1.00 63.08 C +ANISOU 4353 C LEU E 79 8660 7635 7671 303 -654 -959 C +ATOM 4354 O LEU E 79 23.293 40.590 25.827 1.00 65.28 O +ANISOU 4354 O LEU E 79 9121 7665 8018 78 -743 -858 O +ATOM 4355 CB LEU E 79 26.322 40.208 26.765 1.00 69.01 C +ANISOU 4355 CB LEU E 79 9449 8237 8536 703 -826 -962 C +ATOM 4356 CG LEU E 79 27.710 40.168 26.125 1.00 70.56 C +ANISOU 4356 CG LEU E 79 9454 8678 8679 1063 -795 -1145 C +ATOM 4357 CD1 LEU E 79 28.475 41.444 26.438 1.00 66.87 C +ANISOU 4357 CD1 LEU E 79 8653 8586 8168 1015 -637 -1043 C +ATOM 4358 CD2 LEU E 79 28.484 38.946 26.594 1.00 75.08 C +ANISOU 4358 CD2 LEU E 79 10195 9011 9322 1379 -979 -1210 C +ATOM 4359 N ASN E 80 24.641 41.217 24.140 1.00 61.53 N +ANISOU 4359 N ASN E 80 8339 7678 7362 462 -572 -1155 N +ATOM 4360 CA ASN E 80 23.635 40.965 23.117 1.00 63.24 C +ANISOU 4360 CA ASN E 80 8623 7905 7501 370 -596 -1280 C +ATOM 4361 C ASN E 80 23.560 39.488 22.745 1.00 73.06 C +ANISOU 4361 C ASN E 80 10139 8810 8812 492 -835 -1531 C +ATOM 4362 O ASN E 80 24.065 39.067 21.705 1.00 72.99 O +ANISOU 4362 O ASN E 80 10139 8889 8705 763 -861 -1803 O +ATOM 4363 CB ASN E 80 23.916 41.808 21.872 1.00 58.70 C +ANISOU 4363 CB ASN E 80 7807 7758 6738 514 -397 -1372 C +ATOM 4364 CG ASN E 80 22.797 41.732 20.851 1.00 61.22 C +ANISOU 4364 CG ASN E 80 8155 8178 6928 412 -414 -1473 C +ATOM 4365 OD1 ASN E 80 21.665 41.374 21.177 1.00 65.14 O +ANISOU 4365 OD1 ASN E 80 8786 8480 7486 143 -532 -1408 O +ATOM 4366 ND2 ASN E 80 23.108 42.074 19.606 1.00 59.81 N +ANISOU 4366 ND2 ASN E 80 7829 8338 6559 632 -295 -1621 N +ATOM 4367 N SER E 81 22.923 38.709 23.612 1.00 81.12 N +ANISOU 4367 N SER E 81 11395 9430 9997 298 -996 -1433 N +ATOM 4368 CA SER E 81 22.659 37.299 23.352 1.00 83.72 C +ANISOU 4368 CA SER E 81 12029 9345 10437 332 -1221 -1646 C +ATOM 4369 C SER E 81 21.467 36.844 24.185 1.00 84.75 C +ANISOU 4369 C SER E 81 12331 9132 10738 -46 -1327 -1442 C +ATOM 4370 O SER E 81 21.517 36.866 25.412 1.00 88.87 O +ANISOU 4370 O SER E 81 12900 9500 11368 -121 -1315 -1171 O +ATOM 4371 CB SER E 81 23.890 36.447 23.666 1.00 87.42 C +ANISOU 4371 CB SER E 81 12647 9588 10980 702 -1310 -1758 C +ATOM 4372 OG SER E 81 23.645 35.079 23.390 1.00 96.97 O +ANISOU 4372 OG SER E 81 14197 10341 12308 752 -1513 -1975 O +ATOM 4373 N THR E 82 20.395 36.429 23.519 1.00 83.43 N +ANISOU 4373 N THR E 82 12242 8873 10586 -282 -1432 -1568 N +ATOM 4374 CA THR E 82 19.158 36.097 24.215 1.00 78.54 C +ANISOU 4374 CA THR E 82 11718 7995 10128 -687 -1508 -1346 C +ATOM 4375 C THR E 82 19.239 34.724 24.877 1.00 81.81 C +ANISOU 4375 C THR E 82 12475 7815 10795 -700 -1690 -1352 C +ATOM 4376 O THR E 82 18.899 33.708 24.270 1.00 86.37 O +ANISOU 4376 O THR E 82 13269 8071 11477 -768 -1871 -1610 O +ATOM 4377 CB THR E 82 17.949 36.126 23.260 1.00 72.06 C +ANISOU 4377 CB THR E 82 10817 7320 9242 -967 -1575 -1476 C +ATOM 4378 OG1 THR E 82 17.941 37.360 22.532 1.00 64.67 O +ANISOU 4378 OG1 THR E 82 9583 6939 8051 -886 -1391 -1473 O +ATOM 4379 CG2 THR E 82 16.648 35.994 24.039 1.00 70.05 C +ANISOU 4379 CG2 THR E 82 10568 6905 9143 -1404 -1609 -1175 C +ATOM 4380 N LEU E 83 19.699 34.702 26.125 1.00 79.48 N +ANISOU 4380 N LEU E 83 12240 7367 10591 -625 -1642 -1070 N +ATOM 4381 CA LEU E 83 19.791 33.459 26.883 1.00 84.72 C +ANISOU 4381 CA LEU E 83 13232 7469 11490 -607 -1776 -995 C +ATOM 4382 C LEU E 83 18.938 33.511 28.148 1.00 88.53 C +ANISOU 4382 C LEU E 83 13733 7804 12099 -915 -1731 -560 C +ATOM 4383 O LEU E 83 19.092 32.682 29.046 1.00 89.02 O +ANISOU 4383 O LEU E 83 14032 7459 12332 -869 -1787 -381 O +ATOM 4384 CB LEU E 83 21.245 33.157 27.245 1.00 83.99 C +ANISOU 4384 CB LEU E 83 13229 7308 11374 -141 -1775 -1048 C +ATOM 4385 CG LEU E 83 22.261 33.179 26.102 1.00 81.58 C +ANISOU 4385 CG LEU E 83 12867 7213 10918 239 -1779 -1427 C +ATOM 4386 CD1 LEU E 83 23.638 32.788 26.613 1.00 80.98 C +ANISOU 4386 CD1 LEU E 83 12864 7065 10840 693 -1784 -1421 C +ATOM 4387 CD2 LEU E 83 21.823 32.258 24.975 1.00 83.84 C +ANISOU 4387 CD2 LEU E 83 13376 7220 11258 200 -1934 -1797 C +ATOM 4388 N GLY E 84 18.041 34.490 28.215 1.00 88.90 N +ANISOU 4388 N GLY E 84 13534 8198 12047 -1195 -1613 -372 N +ATOM 4389 CA GLY E 84 17.129 34.610 29.337 1.00 88.79 C +ANISOU 4389 CA GLY E 84 13510 8107 12119 -1480 -1547 47 C +ATOM 4390 C GLY E 84 17.701 35.385 30.508 1.00 85.01 C +ANISOU 4390 C GLY E 84 12950 7828 11521 -1305 -1403 335 C +ATOM 4391 O GLY E 84 17.190 35.301 31.625 1.00 85.70 O +ANISOU 4391 O GLY E 84 13095 7797 11669 -1435 -1355 692 O +ATOM 4392 N GLY E 85 18.764 36.142 30.255 1.00 84.29 N +ANISOU 4392 N GLY E 85 12719 8053 11256 -1014 -1334 179 N +ATOM 4393 CA GLY E 85 19.352 36.983 31.280 1.00 80.58 C +ANISOU 4393 CA GLY E 85 12147 7814 10655 -871 -1218 389 C +ATOM 4394 C GLY E 85 20.252 36.226 32.237 1.00 81.85 C +ANISOU 4394 C GLY E 85 12496 7719 10883 -606 -1309 479 C +ATOM 4395 O GLY E 85 20.396 36.611 33.397 1.00 85.35 O +ANISOU 4395 O GLY E 85 12928 8248 11252 -560 -1254 739 O +ATOM 4396 N ILE E 86 20.862 35.148 31.754 1.00 83.86 N +ANISOU 4396 N ILE E 86 12936 7670 11257 -401 -1446 264 N +ATOM 4397 CA ILE E 86 21.758 34.352 32.583 1.00 85.52 C +ANISOU 4397 CA ILE E 86 13335 7635 11524 -89 -1530 352 C +ATOM 4398 C ILE E 86 23.129 35.025 32.684 1.00 81.94 C +ANISOU 4398 C ILE E 86 12683 7557 10894 256 -1504 237 C +ATOM 4399 O ILE E 86 23.634 35.581 31.707 1.00 79.35 O +ANISOU 4399 O ILE E 86 12162 7513 10474 341 -1465 -31 O +ATOM 4400 CB ILE E 86 21.907 32.910 32.030 1.00 69.57 C +ANISOU 4400 CB ILE E 86 11621 5109 9704 36 -1675 166 C +ATOM 4401 CG1 ILE E 86 22.714 32.034 32.993 1.00 76.84 C +ANISOU 4401 CG1 ILE E 86 12766 5741 10689 375 -1740 332 C +ATOM 4402 CG2 ILE E 86 22.523 32.912 30.635 1.00 66.99 C +ANISOU 4402 CG2 ILE E 86 11226 4913 9316 221 -1714 -267 C +ATOM 4403 CD1 ILE E 86 21.995 31.733 34.290 1.00 79.90 C +ANISOU 4403 CD1 ILE E 86 13295 5901 11162 208 -1708 772 C +ATOM 4404 N GLU E 87 23.712 34.996 33.878 1.00 84.20 N +ANISOU 4404 N GLU E 87 12996 7874 11124 445 -1523 454 N +ATOM 4405 CA GLU E 87 25.026 35.589 34.107 1.00 84.76 C +ANISOU 4405 CA GLU E 87 12853 8315 11036 747 -1527 361 C +ATOM 4406 C GLU E 87 26.129 34.812 33.394 1.00 81.56 C +ANISOU 4406 C GLU E 87 12487 7832 10669 1132 -1617 103 C +ATOM 4407 O GLU E 87 26.208 33.588 33.507 1.00 86.87 O +ANISOU 4407 O GLU E 87 13444 8092 11471 1317 -1712 129 O +ATOM 4408 CB GLU E 87 25.326 35.666 35.608 1.00 90.56 C +ANISOU 4408 CB GLU E 87 13615 9115 11677 865 -1556 653 C +ATOM 4409 CG GLU E 87 24.283 36.420 36.424 1.00 93.68 C +ANISOU 4409 CG GLU E 87 13993 9603 11998 547 -1455 923 C +ATOM 4410 CD GLU E 87 23.165 35.524 36.928 1.00100.88 C +ANISOU 4410 CD GLU E 87 15182 10092 13055 380 -1455 1212 C +ATOM 4411 OE1 GLU E 87 22.864 34.509 36.265 1.00103.62 O +ANISOU 4411 OE1 GLU E 87 15718 10052 13602 352 -1512 1132 O +ATOM 4412 OE2 GLU E 87 22.585 35.837 37.989 1.00102.66 O +ANISOU 4412 OE2 GLU E 87 15440 10372 13195 274 -1393 1518 O +ATOM 4413 N VAL E 88 26.969 35.531 32.655 1.00 73.60 N +ANISOU 4413 N VAL E 88 11198 7213 9552 1262 -1570 -131 N +ATOM 4414 CA VAL E 88 28.085 34.929 31.929 1.00 72.09 C +ANISOU 4414 CA VAL E 88 10986 7044 9360 1664 -1627 -373 C +ATOM 4415 C VAL E 88 29.030 34.178 32.868 1.00 78.58 C +ANISOU 4415 C VAL E 88 11899 7784 10172 2058 -1737 -243 C +ATOM 4416 O VAL E 88 29.544 33.112 32.524 1.00 83.78 O +ANISOU 4416 O VAL E 88 12748 8187 10897 2401 -1809 -349 O +ATOM 4417 CB VAL E 88 28.878 35.996 31.142 1.00 64.20 C +ANISOU 4417 CB VAL E 88 9602 6560 8230 1723 -1525 -572 C +ATOM 4418 CG1 VAL E 88 30.123 35.393 30.510 1.00 66.57 C +ANISOU 4418 CG1 VAL E 88 9840 6948 8504 2189 -1568 -780 C +ATOM 4419 CG2 VAL E 88 27.995 36.628 30.076 1.00 54.86 C +ANISOU 4419 CG2 VAL E 88 8351 5454 7038 1416 -1407 -701 C +ATOM 4420 N ARG E 89 29.244 34.727 34.060 1.00 77.66 N +ANISOU 4420 N ARG E 89 11659 7890 9957 2031 -1751 -16 N +ATOM 4421 CA ARG E 89 30.133 34.106 35.041 1.00 80.45 C +ANISOU 4421 CA ARG E 89 12063 8247 10257 2417 -1862 137 C +ATOM 4422 C ARG E 89 29.587 32.765 35.525 1.00 87.13 C +ANISOU 4422 C ARG E 89 13343 8517 11246 2524 -1924 335 C +ATOM 4423 O ARG E 89 30.312 31.968 36.119 1.00 94.46 O +ANISOU 4423 O ARG E 89 14388 9346 12156 2926 -2007 451 O +ATOM 4424 CB ARG E 89 30.354 35.041 36.235 1.00 73.90 C +ANISOU 4424 CB ARG E 89 11019 7799 9262 2327 -1879 321 C +ATOM 4425 CG ARG E 89 29.211 35.057 37.242 1.00 69.54 C +ANISOU 4425 CG ARG E 89 10684 7026 8711 2057 -1857 622 C +ATOM 4426 CD ARG E 89 29.466 36.066 38.352 1.00 70.69 C +ANISOU 4426 CD ARG E 89 10624 7582 8652 1989 -1875 745 C +ATOM 4427 NE ARG E 89 28.277 36.302 39.167 1.00 73.50 N +ANISOU 4427 NE ARG E 89 11154 7795 8979 1705 -1810 1010 N +ATOM 4428 CZ ARG E 89 27.993 35.644 40.286 1.00 75.03 C +ANISOU 4428 CZ ARG E 89 11573 7806 9129 1835 -1856 1322 C +ATOM 4429 NH1 ARG E 89 28.812 34.701 40.729 1.00 77.47 N +ANISOU 4429 NH1 ARG E 89 11978 8037 9420 2253 -1973 1409 N +ATOM 4430 NH2 ARG E 89 26.888 35.929 40.962 1.00 74.51 N +ANISOU 4430 NH2 ARG E 89 11633 7652 9024 1575 -1770 1570 N +ATOM 4431 N LYS E 90 28.307 32.524 35.264 1.00 86.78 N +ANISOU 4431 N LYS E 90 13525 8098 11349 2163 -1876 387 N +ATOM 4432 CA LYS E 90 27.659 31.285 35.669 1.00 88.80 C +ANISOU 4432 CA LYS E 90 14193 7758 11788 2173 -1915 586 C +ATOM 4433 C LYS E 90 27.496 30.330 34.487 1.00 91.49 C +ANISOU 4433 C LYS E 90 14784 7663 12315 2222 -1947 316 C +ATOM 4434 O LYS E 90 26.752 29.353 34.567 1.00 96.96 O +ANISOU 4434 O LYS E 90 15831 7796 13214 2105 -1972 419 O +ATOM 4435 CB LYS E 90 26.300 31.590 36.300 1.00 86.53 C +ANISOU 4435 CB LYS E 90 13984 7340 11555 1715 -1847 864 C +ATOM 4436 CG LYS E 90 26.402 32.338 37.621 1.00 85.61 C +ANISOU 4436 CG LYS E 90 13715 7571 11242 1720 -1823 1155 C +ATOM 4437 CD LYS E 90 25.039 32.577 38.244 1.00 85.74 C +ANISOU 4437 CD LYS E 90 13821 7459 11297 1317 -1733 1453 C +ATOM 4438 CE LYS E 90 25.173 33.227 39.613 1.00 87.88 C +ANISOU 4438 CE LYS E 90 13992 8059 11339 1387 -1713 1734 C +ATOM 4439 NZ LYS E 90 23.855 33.639 40.168 1.00 88.75 N +ANISOU 4439 NZ LYS E 90 14143 8135 11443 1015 -1595 2013 N +ATOM 4440 N LEU E 91 28.195 30.619 33.393 1.00 90.33 N +ANISOU 4440 N LEU E 91 14456 7772 12092 2391 -1944 -33 N +ATOM 4441 CA LEU E 91 28.061 29.826 32.174 1.00 94.59 C +ANISOU 4441 CA LEU E 91 15220 7965 12756 2455 -1978 -349 C +ATOM 4442 C LEU E 91 29.062 28.677 32.112 1.00100.78 C +ANISOU 4442 C LEU E 91 16245 8470 13578 3013 -2044 -430 C +ATOM 4443 O LEU E 91 30.209 28.856 31.702 1.00 99.42 O +ANISOU 4443 O LEU E 91 15867 8648 13259 3414 -2037 -599 O +ATOM 4444 CB LEU E 91 28.223 30.716 30.939 1.00 91.62 C +ANISOU 4444 CB LEU E 91 14541 8018 12252 2375 -1917 -677 C +ATOM 4445 CG LEU E 91 26.996 31.532 30.530 1.00 88.93 C +ANISOU 4445 CG LEU E 91 14083 7788 11920 1836 -1853 -690 C +ATOM 4446 CD1 LEU E 91 27.260 32.279 29.233 1.00 88.02 C +ANISOU 4446 CD1 LEU E 91 13704 8074 11666 1850 -1782 -1006 C +ATOM 4447 CD2 LEU E 91 25.778 30.632 30.395 1.00 90.47 C +ANISOU 4447 CD2 LEU E 91 14632 7411 12330 1529 -1921 -674 C +ATOM 4448 N ASP E 92 28.612 27.496 32.516 1.00107.81 N +ANISOU 4448 N ASP E 92 17570 8722 14671 3042 -2094 -290 N +ATOM 4449 CA ASP E 92 29.369 26.267 32.317 1.00117.57 C +ANISOU 4449 CA ASP E 92 19136 9552 15982 3557 -2144 -390 C +ATOM 4450 C ASP E 92 28.561 25.310 31.450 1.00122.69 C +ANISOU 4450 C ASP E 92 20134 9634 16849 3317 -2157 -626 C +ATOM 4451 O ASP E 92 27.393 25.571 31.162 1.00121.65 O +ANISOU 4451 O ASP E 92 20031 9361 16828 2792 -2173 -663 O +ATOM 4452 CB ASP E 92 29.730 25.621 33.658 1.00124.80 C +ANISOU 4452 CB ASP E 92 20188 10309 16923 3812 -2130 19 C +ATOM 4453 CG ASP E 92 28.540 25.505 34.598 1.00129.28 C +ANISOU 4453 CG ASP E 92 20878 10602 17639 3338 -2084 385 C +ATOM 4454 OD1 ASP E 92 27.423 25.205 34.129 1.00130.57 O +ANISOU 4454 OD1 ASP E 92 21193 10417 18001 2875 -2062 309 O +ATOM 4455 OD2 ASP E 92 28.728 25.711 35.815 1.00131.32 O +ANISOU 4455 OD2 ASP E 92 21046 11048 17801 3433 -2062 753 O +ATOM 4456 N GLU E 93 29.189 24.217 31.024 1.00128.03 N +ANISOU 4456 N GLU E 93 21007 10072 17565 3665 -2129 -784 N +ATOM 4457 CA GLU E 93 28.533 23.229 30.169 1.00129.82 C +ANISOU 4457 CA GLU E 93 21528 9817 17981 3444 -2128 -1039 C +ATOM 4458 C GLU E 93 27.216 22.747 30.776 1.00127.35 C +ANISOU 4458 C GLU E 93 21392 9057 17940 2894 -2103 -787 C +ATOM 4459 O GLU E 93 26.255 22.470 30.059 1.00127.99 O +ANISOU 4459 O GLU E 93 21576 8890 18165 2476 -2132 -994 O +ATOM 4460 CB GLU E 93 29.459 22.037 29.921 1.00137.37 C +ANISOU 4460 CB GLU E 93 22706 10533 18954 3941 -2082 -1149 C +ATOM 4461 CG GLU E 93 30.705 22.368 29.116 1.00139.11 C +ANISOU 4461 CG GLU E 93 22739 11207 18911 4471 -2080 -1432 C +ATOM 4462 CD GLU E 93 31.386 21.131 28.564 1.00147.29 C +ANISOU 4462 CD GLU E 93 24036 11956 19971 4876 -2033 -1620 C +ATOM 4463 OE1 GLU E 93 30.882 20.014 28.808 1.00152.61 O +ANISOU 4463 OE1 GLU E 93 25056 12037 20890 4741 -2008 -1546 O +ATOM 4464 OE2 GLU E 93 32.423 21.275 27.884 1.00148.46 O +ANISOU 4464 OE2 GLU E 93 24032 12476 19899 5329 -2008 -1831 O +ATOM 4465 N SER E 94 27.189 22.645 32.101 1.00125.32 N +ANISOU 4465 N SER E 94 21131 8747 17736 2908 -2040 -332 N +ATOM 4466 CA SER E 94 26.002 22.206 32.828 1.00124.14 C +ANISOU 4466 CA SER E 94 21091 8243 17835 2431 -1971 -17 C +ATOM 4467 C SER E 94 24.807 23.141 32.634 1.00121.52 C +ANISOU 4467 C SER E 94 20570 8091 17510 1843 -2002 -16 C +ATOM 4468 O SER E 94 23.686 22.688 32.404 1.00125.62 O +ANISOU 4468 O SER E 94 21171 8312 18248 1376 -1978 -28 O +ATOM 4469 CB SER E 94 26.318 22.079 34.321 1.00119.69 C +ANISOU 4469 CB SER E 94 20499 7723 17254 2631 -1883 488 C +ATOM 4470 OG SER E 94 27.525 21.365 34.528 1.00119.43 O +ANISOU 4470 OG SER E 94 20576 7637 17164 3220 -1863 506 O +ATOM 4471 N THR E 95 25.053 24.444 32.729 1.00114.18 N +ANISOU 4471 N THR E 95 19370 7665 16347 1872 -2048 3 N +ATOM 4472 CA THR E 95 23.986 25.440 32.648 1.00111.93 C +ANISOU 4472 CA THR E 95 18882 7603 16042 1356 -2058 55 C +ATOM 4473 C THR E 95 23.593 25.805 31.216 1.00110.95 C +ANISOU 4473 C THR E 95 18698 7566 15892 1140 -2145 -398 C +ATOM 4474 O THR E 95 22.449 26.182 30.960 1.00108.30 O +ANISOU 4474 O THR E 95 18254 7275 15619 637 -2145 -389 O +ATOM 4475 CB THR E 95 24.379 26.735 33.386 1.00106.95 C +ANISOU 4475 CB THR E 95 17999 7461 15178 1464 -2061 277 C +ATOM 4476 OG1 THR E 95 25.652 27.193 32.911 1.00105.81 O +ANISOU 4476 OG1 THR E 95 17668 7722 14813 1918 -2083 24 O +ATOM 4477 CG2 THR E 95 24.460 26.491 34.886 1.00106.90 C +ANISOU 4477 CG2 THR E 95 18007 7447 15164 1567 -1970 762 C +ATOM 4478 N ILE E 96 24.542 25.700 30.292 1.00112.56 N +ANISOU 4478 N ILE E 96 18940 7851 15978 1542 -2202 -780 N +ATOM 4479 CA ILE E 96 24.281 25.988 28.883 1.00111.96 C +ANISOU 4479 CA ILE E 96 18803 7907 15831 1418 -2270 -1233 C +ATOM 4480 C ILE E 96 23.242 25.047 28.274 1.00116.77 C +ANISOU 4480 C ILE E 96 19590 8132 16647 1018 -2299 -1396 C +ATOM 4481 O ILE E 96 22.297 25.490 27.620 1.00116.82 O +ANISOU 4481 O ILE E 96 19467 8273 16648 602 -2346 -1543 O +ATOM 4482 CB ILE E 96 25.578 25.905 28.053 1.00112.17 C +ANISOU 4482 CB ILE E 96 18828 8121 15672 1998 -2285 -1586 C +ATOM 4483 CG1 ILE E 96 26.523 27.046 28.431 1.00106.80 C +ANISOU 4483 CG1 ILE E 96 17755 8080 14744 2282 -2200 -1457 C +ATOM 4484 CG2 ILE E 96 25.270 25.940 26.565 1.00112.17 C +ANISOU 4484 CG2 ILE E 96 18806 8226 15588 1896 -2335 -2055 C +ATOM 4485 CD1 ILE E 96 27.858 26.989 27.729 1.00106.91 C +ANISOU 4485 CD1 ILE E 96 17686 8363 14573 2866 -2179 -1731 C +ATOM 4486 N ASP E 97 23.417 23.750 28.502 1.00120.36 N +ANISOU 4486 N ASP E 97 20328 8119 17286 1148 -2268 -1366 N +ATOM 4487 CA ASP E 97 22.508 22.738 27.969 1.00126.50 C +ANISOU 4487 CA ASP E 97 21298 8471 18294 792 -2292 -1536 C +ATOM 4488 C ASP E 97 21.109 22.806 28.581 1.00127.80 C +ANISOU 4488 C ASP E 97 21364 8536 18660 181 -2254 -1231 C +ATOM 4489 O ASP E 97 20.155 22.266 28.020 1.00131.23 O +ANISOU 4489 O ASP E 97 21851 8750 19260 -218 -2292 -1399 O +ATOM 4490 CB ASP E 97 23.095 21.340 28.174 1.00133.87 C +ANISOU 4490 CB ASP E 97 22574 8890 19400 1105 -2240 -1542 C +ATOM 4491 CG ASP E 97 24.191 21.019 27.176 1.00136.79 C +ANISOU 4491 CG ASP E 97 23064 9313 19598 1619 -2281 -1957 C +ATOM 4492 OD1 ASP E 97 24.894 21.955 26.742 1.00134.95 O +ANISOU 4492 OD1 ASP E 97 22617 9573 19083 1905 -2309 -2101 O +ATOM 4493 OD2 ASP E 97 24.348 19.831 26.824 1.00141.07 O +ANISOU 4493 OD2 ASP E 97 23906 9409 20287 1744 -2267 -2133 O +ATOM 4494 N ALA E 98 20.987 23.465 29.728 1.00125.04 N +ANISOU 4494 N ALA E 98 20850 8379 18279 120 -2171 -785 N +ATOM 4495 CA ALA E 98 19.701 23.561 30.410 1.00123.82 C +ANISOU 4495 CA ALA E 98 20563 8198 18284 -402 -2093 -442 C +ATOM 4496 C ALA E 98 18.899 24.779 29.960 1.00119.54 C +ANISOU 4496 C ALA E 98 19700 8124 17594 -769 -2138 -491 C +ATOM 4497 O ALA E 98 17.790 25.012 30.442 1.00118.59 O +ANISOU 4497 O ALA E 98 19408 8089 17562 -1191 -2065 -214 O +ATOM 4498 CB ALA E 98 19.909 23.597 31.916 1.00119.07 C +ANISOU 4498 CB ALA E 98 19945 7594 17702 -266 -1952 85 C +ATOM 4499 N LEU E 99 19.458 25.552 29.035 1.00117.43 N +ANISOU 4499 N LEU E 99 19339 8182 17097 -581 -2236 -830 N +ATOM 4500 CA LEU E 99 18.753 26.700 28.476 1.00116.96 C +ANISOU 4500 CA LEU E 99 18987 8566 16888 -893 -2272 -907 C +ATOM 4501 C LEU E 99 17.813 26.270 27.355 1.00125.88 C +ANISOU 4501 C LEU E 99 20097 9637 18094 -1249 -2365 -1241 C +ATOM 4502 O LEU E 99 18.116 25.339 26.608 1.00132.44 O +ANISOU 4502 O LEU E 99 21148 10182 18990 -1113 -2440 -1590 O +ATOM 4503 CB LEU E 99 19.747 27.740 27.953 1.00114.11 C +ANISOU 4503 CB LEU E 99 18518 8591 16249 -532 -2313 -1128 C +ATOM 4504 CG LEU E 99 20.628 28.447 28.984 1.00112.47 C +ANISOU 4504 CG LEU E 99 18183 8649 15900 -214 -2197 -815 C +ATOM 4505 CD1 LEU E 99 21.644 29.340 28.290 1.00109.98 C +ANISOU 4505 CD1 LEU E 99 17596 8902 15291 146 -2132 -1063 C +ATOM 4506 CD2 LEU E 99 19.777 29.251 29.955 1.00108.31 C +ANISOU 4506 CD2 LEU E 99 17425 8370 15356 -564 -2079 -373 C +ATOM 4507 N GLN E 100 16.675 26.948 27.234 1.00124.71 N +ANISOU 4507 N GLN E 100 19676 9785 17922 -1690 -2358 -1133 N +ATOM 4508 CA GLN E 100 15.743 26.655 26.151 1.00126.44 C +ANISOU 4508 CA GLN E 100 19822 10041 18178 -2031 -2466 -1451 C +ATOM 4509 C GLN E 100 16.079 27.484 24.919 1.00122.51 C +ANISOU 4509 C GLN E 100 19193 9968 17387 -1881 -2562 -1850 C +ATOM 4510 O GLN E 100 15.276 28.289 24.447 1.00120.53 O +ANISOU 4510 O GLN E 100 18666 10120 17009 -2160 -2586 -1867 O +ATOM 4511 CB GLN E 100 14.293 26.891 26.575 1.00126.42 C +ANISOU 4511 CB GLN E 100 19560 10185 18290 -2558 -2408 -1141 C +ATOM 4512 CG GLN E 100 13.697 25.731 27.359 1.00131.18 C +ANISOU 4512 CG GLN E 100 20301 10323 19220 -2782 -2334 -900 C +ATOM 4513 CD GLN E 100 12.285 26.005 27.831 1.00129.61 C +ANISOU 4513 CD GLN E 100 19806 10323 19116 -3253 -2249 -569 C +ATOM 4514 OE1 GLN E 100 11.905 27.153 28.060 1.00122.70 O +ANISOU 4514 OE1 GLN E 100 18639 9924 18057 -3330 -2183 -345 O +ATOM 4515 NE2 GLN E 100 11.493 24.947 27.969 1.00135.02 N +ANISOU 4515 NE2 GLN E 100 20563 10648 20091 -3562 -2237 -536 N +ATOM 4516 N ILE E 101 17.285 27.266 24.411 1.00121.30 N +ANISOU 4516 N ILE E 101 19226 9750 17112 -1401 -2598 -2154 N +ATOM 4517 CA ILE E 101 17.753 27.895 23.188 1.00118.72 C +ANISOU 4517 CA ILE E 101 18798 9819 16490 -1160 -2660 -2562 C +ATOM 4518 C ILE E 101 17.992 26.769 22.199 1.00126.97 C +ANISOU 4518 C ILE E 101 20081 10606 17554 -1007 -2752 -3005 C +ATOM 4519 O ILE E 101 17.930 25.598 22.576 1.00133.23 O +ANISOU 4519 O ILE E 101 21133 10891 18599 -1060 -2759 -2972 O +ATOM 4520 CB ILE E 101 19.041 28.711 23.403 1.00112.79 C +ANISOU 4520 CB ILE E 101 18007 9311 15537 -667 -2583 -2538 C +ATOM 4521 CG1 ILE E 101 20.130 27.836 24.027 1.00112.96 C +ANISOU 4521 CG1 ILE E 101 18309 8935 15676 -250 -2548 -2479 C +ATOM 4522 CG2 ILE E 101 18.765 29.926 24.276 1.00106.80 C +ANISOU 4522 CG2 ILE E 101 16881 9006 14693 -824 -2387 -2072 C +ATOM 4523 CD1 ILE E 101 21.486 28.506 24.095 1.00108.78 C +ANISOU 4523 CD1 ILE E 101 17640 8768 14923 283 -2430 -2477 C +ATOM 4524 N SER E 102 18.245 27.105 20.939 1.00129.00 N +ANISOU 4524 N SER E 102 20258 11218 17539 -814 -2806 -3408 N +ATOM 4525 CA SER E 102 18.456 26.076 19.928 1.00135.38 C +ANISOU 4525 CA SER E 102 21295 11823 18322 -661 -2888 -3843 C +ATOM 4526 C SER E 102 19.653 25.204 20.289 1.00138.02 C +ANISOU 4526 C SER E 102 21942 11755 18745 -189 -2832 -3863 C +ATOM 4527 O SER E 102 20.506 25.601 21.084 1.00134.83 O +ANISOU 4527 O SER E 102 21519 11385 18325 118 -2737 -3610 O +ATOM 4528 CB SER E 102 18.658 26.708 18.549 1.00134.37 C +ANISOU 4528 CB SER E 102 20999 12236 17821 -445 -2917 -4223 C +ATOM 4529 OG SER E 102 19.919 27.348 18.462 1.00131.76 O +ANISOU 4529 OG SER E 102 20601 12196 17264 102 -2803 -4234 O +ATOM 4530 N ASP E 103 19.715 24.015 19.697 1.00144.50 N +ANISOU 4530 N ASP E 103 23048 12207 19648 -128 -2893 -4168 N +ATOM 4531 CA ASP E 103 20.813 23.093 19.955 1.00147.28 C +ANISOU 4531 CA ASP E 103 23712 12169 20078 334 -2836 -4201 C +ATOM 4532 C ASP E 103 22.122 23.678 19.441 1.00146.23 C +ANISOU 4532 C ASP E 103 23486 12453 19620 955 -2764 -4338 C +ATOM 4533 O ASP E 103 23.194 23.378 19.963 1.00145.88 O +ANISOU 4533 O ASP E 103 23563 12273 19592 1398 -2682 -4216 O +ATOM 4534 CB ASP E 103 20.537 21.731 19.317 1.00153.72 C +ANISOU 4534 CB ASP E 103 24859 12507 21039 249 -2913 -4540 C +ATOM 4535 CG ASP E 103 19.442 20.964 20.036 1.00156.62 C +ANISOU 4535 CG ASP E 103 25345 12368 21794 -304 -2938 -4349 C +ATOM 4536 OD1 ASP E 103 19.265 21.181 21.254 1.00155.47 O +ANISOU 4536 OD1 ASP E 103 25129 12111 21833 -448 -2857 -3892 O +ATOM 4537 OD2 ASP E 103 18.756 20.147 19.386 1.00160.05 O +ANISOU 4537 OD2 ASP E 103 25934 12532 22344 -594 -3030 -4654 O +ATOM 4538 N ARG E 104 22.021 24.524 18.422 1.00145.64 N +ANISOU 4538 N ARG E 104 23166 12925 19246 992 -2781 -4570 N +ATOM 4539 CA ARG E 104 23.185 25.201 17.867 1.00142.96 C +ANISOU 4539 CA ARG E 104 22663 13071 18586 1551 -2678 -4675 C +ATOM 4540 C ARG E 104 23.650 26.304 18.813 1.00139.34 C +ANISOU 4540 C ARG E 104 21949 12894 18100 1653 -2571 -4316 C +ATOM 4541 O ARG E 104 24.849 26.540 18.964 1.00140.28 O +ANISOU 4541 O ARG E 104 22001 13202 18098 2149 -2462 -4264 O +ATOM 4542 CB ARG E 104 22.871 25.781 16.487 1.00139.25 C +ANISOU 4542 CB ARG E 104 21993 13121 17796 1551 -2701 -4993 C +ATOM 4543 CG ARG E 104 24.010 26.588 15.889 1.00135.53 C +ANISOU 4543 CG ARG E 104 21285 13222 16988 2100 -2552 -5049 C +ATOM 4544 CD ARG E 104 25.054 25.688 15.251 1.00142.30 C +ANISOU 4544 CD ARG E 104 22359 13968 17742 2624 -2519 -5285 C +ATOM 4545 NE ARG E 104 26.210 26.447 14.784 1.00140.88 N +ANISOU 4545 NE ARG E 104 21907 14355 17266 3150 -2347 -5265 N +ATOM 4546 CZ ARG E 104 27.370 26.508 15.430 1.00138.87 C +ANISOU 4546 CZ ARG E 104 21597 14139 17028 3557 -2227 -5067 C +ATOM 4547 NH1 ARG E 104 27.529 25.848 16.569 1.00140.48 N +ANISOU 4547 NH1 ARG E 104 22024 13841 17512 3529 -2267 -4871 N +ATOM 4548 NH2 ARG E 104 28.371 27.226 14.938 1.00135.24 N +ANISOU 4548 NH2 ARG E 104 20837 14245 16304 3988 -2058 -5039 N +ATOM 4549 N GLY E 105 22.689 26.975 19.443 1.00135.94 N +ANISOU 4549 N GLY E 105 21363 12509 17780 1177 -2600 -4071 N +ATOM 4550 CA GLY E 105 22.981 27.981 20.449 1.00132.58 C +ANISOU 4550 CA GLY E 105 20737 12277 17360 1199 -2514 -3724 C +ATOM 4551 C GLY E 105 23.826 27.411 21.571 1.00133.02 C +ANISOU 4551 C GLY E 105 20978 11974 17591 1478 -2470 -3470 C +ATOM 4552 O GLY E 105 24.755 28.057 22.054 1.00131.82 O +ANISOU 4552 O GLY E 105 20656 12093 17336 1809 -2365 -3310 O +ATOM 4553 N LYS E 106 23.491 26.194 21.989 1.00135.28 N +ANISOU 4553 N LYS E 106 21568 11700 18134 1334 -2526 -3405 N +ATOM 4554 CA LYS E 106 24.236 25.496 23.030 1.00129.90 C +ANISOU 4554 CA LYS E 106 21086 10658 17613 1612 -2477 -3149 C +ATOM 4555 C LYS E 106 25.671 25.208 22.591 1.00126.69 C +ANISOU 4555 C LYS E 106 20720 10392 17026 2278 -2414 -3332 C +ATOM 4556 O LYS E 106 26.616 25.401 23.357 1.00124.20 O +ANISOU 4556 O LYS E 106 20342 10168 16680 2643 -2345 -3110 O +ATOM 4557 CB LYS E 106 23.529 24.190 23.405 1.00129.64 C +ANISOU 4557 CB LYS E 106 21368 10001 17888 1320 -2519 -3075 C +ATOM 4558 CG LYS E 106 22.140 24.383 23.990 1.00123.61 C +ANISOU 4558 CG LYS E 106 20526 9115 17327 675 -2548 -2816 C +ATOM 4559 CD LYS E 106 21.498 23.054 24.349 1.00123.01 C +ANISOU 4559 CD LYS E 106 20733 8434 17573 407 -2554 -2743 C +ATOM 4560 CE LYS E 106 20.107 23.255 24.928 1.00118.32 C +ANISOU 4560 CE LYS E 106 19999 7787 17172 -223 -2553 -2457 C +ATOM 4561 NZ LYS E 106 19.423 21.961 25.199 1.00122.41 N +ANISOU 4561 NZ LYS E 106 20759 7730 18021 -512 -2540 -2408 N +ATOM 4562 N GLU E 107 25.820 24.742 21.354 1.00127.09 N +ANISOU 4562 N GLU E 107 20853 10491 16943 2436 -2438 -3724 N +ATOM 4563 CA GLU E 107 27.125 24.407 20.784 1.00128.03 C +ANISOU 4563 CA GLU E 107 20998 10777 16870 3062 -2364 -3906 C +ATOM 4564 C GLU E 107 28.119 25.571 20.787 1.00125.54 C +ANISOU 4564 C GLU E 107 20305 11090 16303 3441 -2249 -3825 C +ATOM 4565 O GLU E 107 29.264 25.415 21.211 1.00126.35 O +ANISOU 4565 O GLU E 107 20369 11281 16357 3910 -2170 -3700 O +ATOM 4566 CB GLU E 107 26.944 23.895 19.353 1.00128.52 C +ANISOU 4566 CB GLU E 107 21176 10864 16790 3105 -2409 -4344 C +ATOM 4567 CG GLU E 107 26.154 22.599 19.255 1.00133.27 C +ANISOU 4567 CG GLU E 107 22166 10829 17642 2804 -2511 -4487 C +ATOM 4568 CD GLU E 107 25.803 22.231 17.826 1.00136.61 C +ANISOU 4568 CD GLU E 107 22678 11318 17908 2769 -2583 -4942 C +ATOM 4569 OE1 GLU E 107 26.100 23.029 16.913 1.00137.41 O +ANISOU 4569 OE1 GLU E 107 22527 11988 17696 2964 -2548 -5113 O +ATOM 4570 OE2 GLU E 107 25.224 21.143 17.617 1.00137.71 O +ANISOU 4570 OE2 GLU E 107 23137 10949 18238 2547 -2666 -5125 O +ATOM 4571 N ILE E 108 27.678 26.730 20.308 1.00125.04 N +ANISOU 4571 N ILE E 108 19943 11485 16083 3235 -2227 -3888 N +ATOM 4572 CA ILE E 108 28.530 27.917 20.229 1.00125.70 C +ANISOU 4572 CA ILE E 108 19629 12191 15941 3538 -2087 -3825 C +ATOM 4573 C ILE E 108 29.032 28.401 21.589 1.00127.72 C +ANISOU 4573 C ILE E 108 19728 12497 16301 3593 -2032 -3437 C +ATOM 4574 O ILE E 108 30.207 28.738 21.747 1.00130.63 O +ANISOU 4574 O ILE E 108 19847 13240 16548 4006 -1915 -3339 O +ATOM 4575 CB ILE E 108 27.792 29.085 19.536 1.00123.60 C +ANISOU 4575 CB ILE E 108 19082 12373 15508 3237 -2051 -3927 C +ATOM 4576 CG1 ILE E 108 27.514 28.745 18.073 1.00126.86 C +ANISOU 4576 CG1 ILE E 108 19539 12931 15732 3267 -2070 -4275 C +ATOM 4577 CG2 ILE E 108 28.606 30.369 19.621 1.00119.91 C +ANISOU 4577 CG2 ILE E 108 18093 12606 14860 3384 -1825 -3689 C +ATOM 4578 CD1 ILE E 108 26.757 29.818 17.329 1.00122.38 C +ANISOU 4578 CD1 ILE E 108 18695 12832 14970 2999 -2030 -4357 C +ATOM 4579 N TRP E 109 28.142 28.409 22.575 1.00125.93 N +ANISOU 4579 N TRP E 109 19579 11980 16290 3124 -2091 -3152 N +ATOM 4580 CA TRP E 109 28.440 29.005 23.874 1.00120.60 C +ANISOU 4580 CA TRP E 109 18667 11484 15672 3044 -2013 -2713 C +ATOM 4581 C TRP E 109 29.372 28.175 24.757 1.00124.87 C +ANISOU 4581 C TRP E 109 19400 11741 16303 3475 -2042 -2557 C +ATOM 4582 O TRP E 109 30.007 28.718 25.662 1.00124.83 O +ANISOU 4582 O TRP E 109 19131 12040 16257 3576 -1975 -2261 O +ATOM 4583 CB TRP E 109 27.138 29.283 24.626 1.00114.25 C +ANISOU 4583 CB TRP E 109 17886 10490 15035 2434 -2049 -2447 C +ATOM 4584 CG TRP E 109 26.644 30.683 24.442 1.00106.37 C +ANISOU 4584 CG TRP E 109 16473 10045 13898 2090 -1930 -2339 C +ATOM 4585 CD1 TRP E 109 25.551 31.081 23.729 1.00103.59 C +ANISOU 4585 CD1 TRP E 109 16063 9784 13511 1700 -1940 -2454 C +ATOM 4586 CD2 TRP E 109 27.235 31.876 24.970 1.00101.05 C +ANISOU 4586 CD2 TRP E 109 15391 9905 13100 2117 -1780 -2098 C +ATOM 4587 NE1 TRP E 109 25.421 32.448 23.786 1.00 97.85 N +ANISOU 4587 NE1 TRP E 109 14936 9597 12644 1515 -1784 -2275 N +ATOM 4588 CE2 TRP E 109 26.443 32.959 24.542 1.00 96.10 C +ANISOU 4588 CE2 TRP E 109 14508 9628 12377 1747 -1685 -2068 C +ATOM 4589 CE3 TRP E 109 28.356 32.133 25.766 1.00 99.14 C +ANISOU 4589 CE3 TRP E 109 14973 9880 12816 2413 -1726 -1913 C +ATOM 4590 CZ2 TRP E 109 26.734 34.277 24.884 1.00 91.74 C +ANISOU 4590 CZ2 TRP E 109 13573 9571 11713 1660 -1523 -1864 C +ATOM 4591 CZ3 TRP E 109 28.644 33.443 26.104 1.00 93.80 C +ANISOU 4591 CZ3 TRP E 109 13890 9722 12027 2291 -1592 -1735 C +ATOM 4592 CH2 TRP E 109 27.836 34.498 25.663 1.00 90.42 C +ANISOU 4592 CH2 TRP E 109 13255 9573 11528 1915 -1485 -1715 C +ATOM 4593 N LYS E 110 29.457 26.872 24.510 1.00126.63 N +ANISOU 4593 N LYS E 110 20086 11387 16642 3737 -2145 -2756 N +ATOM 4594 CA LYS E 110 30.400 26.037 25.252 1.00125.00 C +ANISOU 4594 CA LYS E 110 20005 11009 16482 4158 -2121 -2563 C +ATOM 4595 C LYS E 110 31.852 26.410 24.950 1.00122.37 C +ANISOU 4595 C LYS E 110 19359 11225 15912 4740 -2024 -2620 C +ATOM 4596 O LYS E 110 32.728 26.248 25.798 1.00124.78 O +ANISOU 4596 O LYS E 110 19582 11627 16203 5077 -2000 -2377 O +ATOM 4597 CB LYS E 110 30.171 24.553 24.958 1.00128.49 C +ANISOU 4597 CB LYS E 110 20866 10883 17072 4169 -2151 -2680 C +ATOM 4598 CG LYS E 110 29.057 23.925 25.782 1.00126.46 C +ANISOU 4598 CG LYS E 110 20891 10049 17108 3696 -2207 -2448 C +ATOM 4599 CD LYS E 110 29.042 22.411 25.639 1.00130.38 C +ANISOU 4599 CD LYS E 110 21784 9976 17777 3788 -2203 -2530 C +ATOM 4600 CE LYS E 110 28.213 21.964 24.448 1.00130.88 C +ANISOU 4600 CE LYS E 110 22016 9824 17889 3478 -2266 -2921 C +ATOM 4601 NZ LYS E 110 27.699 20.580 24.634 1.00136.17 N +ANISOU 4601 NZ LYS E 110 23082 9812 18845 3313 -2272 -2915 N +ATOM 4602 N GLU E 111 32.101 26.910 23.744 1.00116.86 N +ANISOU 4602 N GLU E 111 18452 10933 15016 4847 -1958 -2916 N +ATOM 4603 CA GLU E 111 33.446 27.325 23.351 1.00113.26 C +ANISOU 4603 CA GLU E 111 17632 11068 14333 5346 -1834 -2947 C +ATOM 4604 C GLU E 111 33.782 28.729 23.839 1.00107.66 C +ANISOU 4604 C GLU E 111 16399 10964 13542 5235 -1748 -2732 C +ATOM 4605 O GLU E 111 34.923 29.011 24.210 1.00108.27 O +ANISOU 4605 O GLU E 111 16159 11453 13524 5587 -1682 -2588 O +ATOM 4606 CB GLU E 111 33.606 27.251 21.831 1.00113.07 C +ANISOU 4606 CB GLU E 111 17569 11281 14112 5481 -1763 -3290 C +ATOM 4607 CG GLU E 111 34.965 27.721 21.325 1.00116.00 C +ANISOU 4607 CG GLU E 111 17523 12310 14243 5947 -1606 -3288 C +ATOM 4608 CD GLU E 111 36.122 26.884 21.838 1.00124.58 C +ANISOU 4608 CD GLU E 111 18653 13365 15318 6424 -1588 -3141 C +ATOM 4609 OE1 GLU E 111 37.252 27.415 21.892 1.00124.90 O +ANISOU 4609 OE1 GLU E 111 18272 13972 15213 6730 -1477 -3015 O +ATOM 4610 OE2 GLU E 111 35.909 25.705 22.189 1.00131.40 O +ANISOU 4610 OE2 GLU E 111 19950 13655 16320 6475 -1673 -3137 O +ATOM 4611 N LEU E 112 32.784 29.604 23.845 1.00102.82 N +ANISOU 4611 N LEU E 112 15642 10465 12960 4650 -1728 -2661 N +ATOM 4612 CA LEU E 112 32.962 30.966 24.331 1.00 97.37 C +ANISOU 4612 CA LEU E 112 14455 10336 12206 4382 -1619 -2412 C +ATOM 4613 C LEU E 112 33.248 30.961 25.829 1.00 97.51 C +ANISOU 4613 C LEU E 112 14428 10299 12321 4354 -1678 -2064 C +ATOM 4614 O LEU E 112 33.980 31.811 26.339 1.00 96.13 O +ANISOU 4614 O LEU E 112 13844 10612 12068 4379 -1614 -1892 O +ATOM 4615 CB LEU E 112 31.726 31.812 24.024 1.00 93.55 C +ANISOU 4615 CB LEU E 112 13896 9916 11734 3793 -1581 -2405 C +ATOM 4616 CG LEU E 112 31.553 32.230 22.562 1.00 90.72 C +ANISOU 4616 CG LEU E 112 13419 9843 11207 3809 -1485 -2691 C +ATOM 4617 CD1 LEU E 112 30.151 32.771 22.317 1.00 88.50 C +ANISOU 4617 CD1 LEU E 112 13167 9504 10955 3252 -1490 -2683 C +ATOM 4618 CD2 LEU E 112 32.607 33.253 22.160 1.00 86.85 C +ANISOU 4618 CD2 LEU E 112 12431 10024 10544 4021 -1296 -2647 C +ATOM 4619 N SER E 113 32.658 29.992 26.523 1.00 99.39 N +ANISOU 4619 N SER E 113 15093 9942 12729 4294 -1801 -1965 N +ATOM 4620 CA SER E 113 32.766 29.874 27.974 1.00 97.98 C +ANISOU 4620 CA SER E 113 14940 9659 12630 4271 -1861 -1615 C +ATOM 4621 C SER E 113 34.202 29.742 28.483 1.00 98.12 C +ANISOU 4621 C SER E 113 14741 10000 12539 4810 -1863 -1509 C +ATOM 4622 O SER E 113 34.489 30.122 29.618 1.00 97.41 O +ANISOU 4622 O SER E 113 14472 10112 12427 4770 -1895 -1231 O +ATOM 4623 CB SER E 113 31.943 28.680 28.460 1.00105.24 C +ANISOU 4623 CB SER E 113 16397 9832 13758 4188 -1969 -1532 C +ATOM 4624 OG SER E 113 30.556 28.923 28.306 1.00105.84 O +ANISOU 4624 OG SER E 113 16591 9677 13946 3609 -1980 -1534 O +ATOM 4625 N LYS E 114 35.094 29.195 27.659 1.00101.99 N +ANISOU 4625 N LYS E 114 15245 10564 12944 5330 -1835 -1731 N +ATOM 4626 CA LYS E 114 36.480 28.976 28.075 1.00103.36 C +ANISOU 4626 CA LYS E 114 15198 11066 13007 5896 -1836 -1630 C +ATOM 4627 C LYS E 114 37.170 30.266 28.499 1.00102.66 C +ANISOU 4627 C LYS E 114 14498 11711 12796 5767 -1785 -1482 C +ATOM 4628 O LYS E 114 37.940 30.283 29.460 1.00102.75 O +ANISOU 4628 O LYS E 114 14314 11971 12757 5986 -1847 -1267 O +ATOM 4629 CB LYS E 114 37.298 28.332 26.952 1.00102.81 C +ANISOU 4629 CB LYS E 114 15177 11055 12831 6442 -1771 -1904 C +ATOM 4630 CG LYS E 114 36.873 26.940 26.528 1.00102.73 C +ANISOU 4630 CG LYS E 114 15725 10397 12910 6505 -1791 -2038 C +ATOM 4631 CD LYS E 114 38.034 26.258 25.813 1.00105.42 C +ANISOU 4631 CD LYS E 114 16013 10949 13091 7005 -1696 -2156 C +ATOM 4632 CE LYS E 114 37.690 24.853 25.355 1.00107.67 C +ANISOU 4632 CE LYS E 114 16848 10597 13463 7101 -1713 -2312 C +ATOM 4633 NZ LYS E 114 38.848 24.218 24.664 1.00111.32 N +ANISOU 4633 NZ LYS E 114 17267 11280 13751 7623 -1617 -2420 N +ATOM 4634 N ASP E 115 36.885 31.344 27.779 1.00103.16 N +ANISOU 4634 N ASP E 115 14266 12116 12813 5406 -1676 -1599 N +ATOM 4635 CA ASP E 115 37.492 32.635 28.067 1.00102.48 C +ANISOU 4635 CA ASP E 115 13616 12679 12643 5223 -1610 -1488 C +ATOM 4636 C ASP E 115 36.543 33.566 28.811 1.00 96.82 C +ANISOU 4636 C ASP E 115 12855 11943 11990 4602 -1621 -1325 C +ATOM 4637 O ASP E 115 36.934 34.235 29.766 1.00 93.82 O +ANISOU 4637 O ASP E 115 12196 11875 11577 4476 -1662 -1145 O +ATOM 4638 CB ASP E 115 37.947 33.303 26.767 1.00105.70 C +ANISOU 4638 CB ASP E 115 13687 13523 12950 5282 -1439 -1688 C +ATOM 4639 CG ASP E 115 38.905 32.439 25.972 1.00115.14 C +ANISOU 4639 CG ASP E 115 14906 14794 14048 5935 -1402 -1855 C +ATOM 4640 OD1 ASP E 115 39.780 31.794 26.586 1.00120.81 O +ANISOU 4640 OD1 ASP E 115 15600 15564 14740 6380 -1481 -1751 O +ATOM 4641 OD2 ASP E 115 38.779 32.403 24.729 1.00117.02 O +ANISOU 4641 OD2 ASP E 115 15189 15060 14215 6034 -1289 -2088 O +ATOM 4642 N LEU E 116 35.291 33.597 28.368 1.00 95.55 N +ANISOU 4642 N LEU E 116 12970 11430 11905 4228 -1590 -1398 N +ATOM 4643 CA LEU E 116 34.339 34.606 28.820 1.00 89.90 C +ANISOU 4643 CA LEU E 116 12181 10753 11224 3655 -1553 -1268 C +ATOM 4644 C LEU E 116 33.808 34.366 30.233 1.00 88.50 C +ANISOU 4644 C LEU E 116 12211 10303 11112 3483 -1671 -1004 C +ATOM 4645 O LEU E 116 33.543 35.319 30.965 1.00 85.34 O +ANISOU 4645 O LEU E 116 11630 10111 10684 3151 -1653 -852 O +ATOM 4646 CB LEU E 116 33.168 34.694 27.836 1.00 86.99 C +ANISOU 4646 CB LEU E 116 12006 10153 10895 3347 -1481 -1421 C +ATOM 4647 CG LEU E 116 33.317 35.684 26.674 1.00 84.37 C +ANISOU 4647 CG LEU E 116 11349 10247 10462 3255 -1306 -1575 C +ATOM 4648 CD1 LEU E 116 34.540 35.375 25.819 1.00 86.64 C +ANISOU 4648 CD1 LEU E 116 11450 10821 10648 3760 -1249 -1752 C +ATOM 4649 CD2 LEU E 116 32.058 35.700 25.820 1.00 81.85 C +ANISOU 4649 CD2 LEU E 116 11242 9702 10157 2961 -1266 -1703 C +ATOM 4650 N GLN E 117 33.649 33.104 30.617 1.00 89.88 N +ANISOU 4650 N GLN E 117 12779 10003 11367 3721 -1780 -943 N +ATOM 4651 CA GLN E 117 33.151 32.794 31.956 1.00 89.43 C +ANISOU 4651 CA GLN E 117 12934 9683 11361 3602 -1871 -654 C +ATOM 4652 C GLN E 117 34.175 33.148 33.046 1.00 90.35 C +ANISOU 4652 C GLN E 117 12766 10212 11351 3822 -1941 -475 C +ATOM 4653 O GLN E 117 33.805 33.751 34.054 1.00 89.76 O +ANISOU 4653 O GLN E 117 12628 10244 11232 3556 -1968 -277 O +ATOM 4654 CB GLN E 117 32.737 31.319 32.059 1.00 91.82 C +ANISOU 4654 CB GLN E 117 13746 9335 11807 3805 -1948 -610 C +ATOM 4655 CG GLN E 117 31.982 30.968 33.337 1.00 91.65 C +ANISOU 4655 CG GLN E 117 13982 8979 11862 3623 -2005 -276 C +ATOM 4656 CD GLN E 117 32.898 30.574 34.481 1.00 95.50 C +ANISOU 4656 CD GLN E 117 14441 9588 12256 4038 -2088 -38 C +ATOM 4657 OE1 GLN E 117 34.095 30.359 34.290 1.00 95.54 O +ANISOU 4657 OE1 GLN E 117 14276 9858 12165 4501 -2119 -129 O +ATOM 4658 NE2 GLN E 117 32.337 30.480 35.681 1.00 98.55 N +ANISOU 4658 NE2 GLN E 117 14977 9818 12649 3897 -2121 283 N +ATOM 4659 N PRO E 118 35.460 32.773 32.864 1.00 89.82 N +ANISOU 4659 N PRO E 118 12518 10403 11205 4322 -1977 -548 N +ATOM 4660 CA PRO E 118 36.424 33.242 33.867 1.00 90.77 C +ANISOU 4660 CA PRO E 118 12294 11008 11188 4478 -2062 -399 C +ATOM 4661 C PRO E 118 36.602 34.759 33.847 1.00 86.88 C +ANISOU 4661 C PRO E 118 11340 11045 10625 4092 -2004 -461 C +ATOM 4662 O PRO E 118 36.797 35.365 34.900 1.00 89.17 O +ANISOU 4662 O PRO E 118 11450 11605 10825 3961 -2086 -324 O +ATOM 4663 CB PRO E 118 37.724 32.538 33.463 1.00 94.61 C +ANISOU 4663 CB PRO E 118 12645 11692 11610 5095 -2090 -483 C +ATOM 4664 CG PRO E 118 37.285 31.345 32.696 1.00 95.36 C +ANISOU 4664 CG PRO E 118 13209 11204 11821 5325 -2056 -593 C +ATOM 4665 CD PRO E 118 36.080 31.805 31.939 1.00 90.50 C +ANISOU 4665 CD PRO E 118 12735 10343 11309 4805 -1962 -734 C +ATOM 4666 N LEU E 119 36.540 35.354 32.658 1.00 82.68 N +ANISOU 4666 N LEU E 119 10637 10650 10127 3925 -1861 -667 N +ATOM 4667 CA LEU E 119 36.670 36.801 32.512 1.00 78.43 C +ANISOU 4667 CA LEU E 119 9693 10551 9554 3547 -1768 -720 C +ATOM 4668 C LEU E 119 35.565 37.531 33.265 1.00 76.75 C +ANISOU 4668 C LEU E 119 9614 10191 9356 3049 -1760 -592 C +ATOM 4669 O LEU E 119 35.805 38.554 33.907 1.00 78.39 O +ANISOU 4669 O LEU E 119 9558 10723 9505 2811 -1772 -550 O +ATOM 4670 CB LEU E 119 36.647 37.199 31.035 1.00 74.11 C +ANISOU 4670 CB LEU E 119 9010 10110 9040 3485 -1586 -925 C +ATOM 4671 CG LEU E 119 36.856 38.688 30.752 1.00 70.31 C +ANISOU 4671 CG LEU E 119 8108 10061 8546 3124 -1448 -962 C +ATOM 4672 CD1 LEU E 119 38.283 39.100 31.080 1.00 73.72 C +ANISOU 4672 CD1 LEU E 119 8056 11030 8923 3306 -1494 -957 C +ATOM 4673 CD2 LEU E 119 36.513 39.022 29.308 1.00 65.16 C +ANISOU 4673 CD2 LEU E 119 7419 9426 7914 3041 -1246 -1114 C +ATOM 4674 N ALA E 120 34.352 36.995 33.182 1.00 72.21 N +ANISOU 4674 N ALA E 120 9450 9126 8860 2895 -1740 -537 N +ATOM 4675 CA ALA E 120 33.207 37.585 33.862 1.00 71.68 C +ANISOU 4675 CA ALA E 120 9530 8906 8800 2463 -1713 -389 C +ATOM 4676 C ALA E 120 33.310 37.362 35.366 1.00 79.19 C +ANISOU 4676 C ALA E 120 10569 9850 9668 2542 -1857 -163 C +ATOM 4677 O ALA E 120 32.878 38.200 36.156 1.00 78.95 O +ANISOU 4677 O ALA E 120 10493 9939 9567 2251 -1849 -59 O +ATOM 4678 CB ALA E 120 31.909 37.005 33.325 1.00 68.93 C +ANISOU 4678 CB ALA E 120 9552 8073 8564 2283 -1658 -380 C +ATOM 4679 N LYS E 121 33.886 36.227 35.754 1.00 83.34 N +ANISOU 4679 N LYS E 121 11236 10244 10185 2970 -1979 -83 N +ATOM 4680 CA LYS E 121 34.050 35.900 37.165 1.00 82.03 C +ANISOU 4680 CA LYS E 121 11161 10094 9911 3127 -2117 156 C +ATOM 4681 C LYS E 121 35.055 36.820 37.850 1.00 85.79 C +ANISOU 4681 C LYS E 121 11221 11157 10219 3150 -2209 124 C +ATOM 4682 O LYS E 121 34.817 37.283 38.963 1.00 89.58 O +ANISOU 4682 O LYS E 121 11707 11755 10574 3010 -2279 263 O +ATOM 4683 CB LYS E 121 34.491 34.445 37.330 1.00 81.39 C +ANISOU 4683 CB LYS E 121 11332 9729 9862 3632 -2207 259 C +ATOM 4684 CG LYS E 121 34.316 33.902 38.738 1.00 79.81 C +ANISOU 4684 CG LYS E 121 11352 9402 9572 3788 -2312 575 C +ATOM 4685 CD LYS E 121 34.938 32.523 38.876 1.00 80.35 C +ANISOU 4685 CD LYS E 121 11637 9231 9661 4351 -2385 686 C +ATOM 4686 CE LYS E 121 34.980 32.080 40.329 1.00 80.85 C +ANISOU 4686 CE LYS E 121 11845 9289 9584 4578 -2488 1026 C +ATOM 4687 NZ LYS E 121 35.752 30.818 40.504 1.00 85.25 N +ANISOU 4687 NZ LYS E 121 12572 9684 10135 5194 -2552 1154 N +ATOM 4688 N LYS E 122 36.173 37.090 37.181 1.00 85.03 N +ANISOU 4688 N LYS E 122 10754 11440 10113 3320 -2211 -64 N +ATOM 4689 CA LYS E 122 37.190 37.976 37.739 1.00 84.45 C +ANISOU 4689 CA LYS E 122 10233 11945 9909 3299 -2310 -123 C +ATOM 4690 C LYS E 122 36.662 39.402 37.838 1.00 82.02 C +ANISOU 4690 C LYS E 122 9787 11778 9598 2756 -2225 -200 C +ATOM 4691 O LYS E 122 36.889 40.092 38.832 1.00 84.38 O +ANISOU 4691 O LYS E 122 9941 12351 9767 2617 -2336 -177 O +ATOM 4692 CB LYS E 122 38.470 37.942 36.899 1.00 82.64 C +ANISOU 4692 CB LYS E 122 9606 12097 9698 3581 -2301 -287 C +ATOM 4693 CG LYS E 122 39.434 39.079 37.208 1.00 80.40 C +ANISOU 4693 CG LYS E 122 8790 12419 9339 3412 -2367 -389 C +ATOM 4694 CD LYS E 122 40.845 38.768 36.737 1.00 83.05 C +ANISOU 4694 CD LYS E 122 8710 13191 9653 3813 -2412 -463 C +ATOM 4695 CE LYS E 122 41.880 39.497 37.583 1.00 84.06 C +ANISOU 4695 CE LYS E 122 8353 13924 9662 3757 -2591 -491 C +ATOM 4696 NZ LYS E 122 41.840 39.072 39.010 1.00 83.67 N +ANISOU 4696 NZ LYS E 122 8466 13896 9428 3928 -2821 -332 N +ATOM 4697 N PHE E 123 35.946 39.833 36.804 1.00 77.65 N +ANISOU 4697 N PHE E 123 9296 11032 9174 2471 -2030 -296 N +ATOM 4698 CA PHE E 123 35.396 41.181 36.759 1.00 74.24 C +ANISOU 4698 CA PHE E 123 8765 10689 8754 1987 -1907 -356 C +ATOM 4699 C PHE E 123 34.318 41.353 37.824 1.00 73.71 C +ANISOU 4699 C PHE E 123 9009 10393 8606 1773 -1934 -186 C +ATOM 4700 O PHE E 123 34.157 42.435 38.389 1.00 70.71 O +ANISOU 4700 O PHE E 123 8537 10177 8153 1476 -1919 -211 O +ATOM 4701 CB PHE E 123 34.830 41.482 35.369 1.00 67.33 C +ANISOU 4701 CB PHE E 123 7908 9662 8012 1802 -1683 -461 C +ATOM 4702 CG PHE E 123 34.260 42.865 35.231 1.00 60.20 C +ANISOU 4702 CG PHE E 123 6917 8831 7127 1347 -1523 -499 C +ATOM 4703 CD1 PHE E 123 35.093 43.970 35.150 1.00 59.18 C +ANISOU 4703 CD1 PHE E 123 6401 9080 7005 1177 -1481 -616 C +ATOM 4704 CD2 PHE E 123 32.890 43.060 35.174 1.00 55.24 C +ANISOU 4704 CD2 PHE E 123 6587 7885 6517 1090 -1405 -407 C +ATOM 4705 CE1 PHE E 123 34.569 45.244 35.021 1.00 58.23 C +ANISOU 4705 CE1 PHE E 123 6238 8971 6914 773 -1313 -644 C +ATOM 4706 CE2 PHE E 123 32.360 44.331 35.045 1.00 53.20 C +ANISOU 4706 CE2 PHE E 123 6266 7684 6262 720 -1238 -425 C +ATOM 4707 CZ PHE E 123 33.201 45.424 34.968 1.00 54.58 C +ANISOU 4707 CZ PHE E 123 6099 8188 6450 568 -1187 -545 C +ATOM 4708 N TRP E 124 33.585 40.278 38.093 1.00 74.40 N +ANISOU 4708 N TRP E 124 9469 10090 8708 1930 -1963 -10 N +ATOM 4709 CA TRP E 124 32.550 40.297 39.119 1.00 71.71 C +ANISOU 4709 CA TRP E 124 9423 9537 8286 1776 -1972 203 C +ATOM 4710 C TRP E 124 33.169 40.332 40.512 1.00 70.52 C +ANISOU 4710 C TRP E 124 9209 9656 7929 1952 -2163 299 C +ATOM 4711 O TRP E 124 32.625 40.947 41.427 1.00 66.54 O +ANISOU 4711 O TRP E 124 8794 9199 7289 1764 -2169 389 O +ATOM 4712 CB TRP E 124 31.630 39.083 38.982 1.00 72.58 C +ANISOU 4712 CB TRP E 124 9927 9148 8502 1877 -1941 385 C +ATOM 4713 CG TRP E 124 30.651 38.951 40.105 1.00 74.64 C +ANISOU 4713 CG TRP E 124 10468 9213 8677 1775 -1945 660 C +ATOM 4714 CD1 TRP E 124 29.520 39.690 40.299 1.00 74.24 C +ANISOU 4714 CD1 TRP E 124 10518 9084 8604 1418 -1815 746 C +ATOM 4715 CD2 TRP E 124 30.716 38.023 41.193 1.00 80.01 C +ANISOU 4715 CD2 TRP E 124 11359 9774 9269 2068 -2066 915 C +ATOM 4716 NE1 TRP E 124 28.878 39.278 41.442 1.00 77.39 N +ANISOU 4716 NE1 TRP E 124 11165 9338 8903 1464 -1844 1038 N +ATOM 4717 CE2 TRP E 124 29.592 38.255 42.009 1.00 80.62 C +ANISOU 4717 CE2 TRP E 124 11649 9712 9270 1856 -1995 1153 C +ATOM 4718 CE3 TRP E 124 31.617 37.016 41.556 1.00 86.29 C +ANISOU 4718 CE3 TRP E 124 12182 10577 10028 2520 -2211 989 C +ATOM 4719 CZ2 TRP E 124 29.344 37.519 43.165 1.00 86.01 C +ANISOU 4719 CZ2 TRP E 124 12568 10267 9846 2067 -2058 1470 C +ATOM 4720 CZ3 TRP E 124 31.369 36.287 42.704 1.00 90.21 C +ANISOU 4720 CZ3 TRP E 124 12927 10930 10420 2736 -2277 1304 C +ATOM 4721 CH2 TRP E 124 30.242 36.541 43.495 1.00 90.16 C +ANISOU 4721 CH2 TRP E 124 13126 10789 10342 2503 -2198 1545 C +ATOM 4722 N GLU E 125 34.308 39.666 40.670 1.00 76.05 N +ANISOU 4722 N GLU E 125 9753 10560 8582 2343 -2319 279 N +ATOM 4723 CA GLU E 125 35.007 39.657 41.949 1.00 79.51 C +ANISOU 4723 CA GLU E 125 10087 11328 8795 2558 -2527 359 C +ATOM 4724 C GLU E 125 35.638 41.021 42.210 1.00 83.09 C +ANISOU 4724 C GLU E 125 10166 12254 9150 2290 -2589 140 C +ATOM 4725 O GLU E 125 35.780 41.442 43.358 1.00 84.22 O +ANISOU 4725 O GLU E 125 10278 12640 9081 2274 -2734 167 O +ATOM 4726 CB GLU E 125 36.069 38.556 41.974 1.00 81.82 C +ANISOU 4726 CB GLU E 125 10292 11735 9061 3086 -2668 409 C +ATOM 4727 CG GLU E 125 35.493 37.148 42.024 1.00 84.33 C +ANISOU 4727 CG GLU E 125 11039 11550 9454 3386 -2636 656 C +ATOM 4728 CD GLU E 125 36.510 36.083 41.660 1.00 92.49 C +ANISOU 4728 CD GLU E 125 12010 12617 10516 3912 -2712 659 C +ATOM 4729 OE1 GLU E 125 37.581 36.439 41.125 1.00 95.40 O +ANISOU 4729 OE1 GLU E 125 11980 13392 10877 4017 -2755 455 O +ATOM 4730 OE2 GLU E 125 36.235 34.890 41.904 1.00 96.10 O +ANISOU 4730 OE2 GLU E 125 12817 12685 11010 4226 -2714 878 O +ATOM 4731 N GLU E 126 36.015 41.704 41.134 1.00 84.88 N +ANISOU 4731 N GLU E 126 10116 12604 9532 2080 -2476 -79 N +ATOM 4732 CA GLU E 126 36.550 43.057 41.229 1.00 85.08 C +ANISOU 4732 CA GLU E 126 9797 13001 9529 1753 -2494 -292 C +ATOM 4733 C GLU E 126 35.469 44.097 41.510 1.00 77.44 C +ANISOU 4733 C GLU E 126 9030 11854 8540 1322 -2360 -301 C +ATOM 4734 O GLU E 126 35.554 44.844 42.484 1.00 78.27 O +ANISOU 4734 O GLU E 126 9099 12157 8482 1171 -2470 -362 O +ATOM 4735 CB GLU E 126 37.292 43.436 39.944 1.00 91.19 C +ANISOU 4735 CB GLU E 126 10209 13949 10490 1678 -2376 -476 C +ATOM 4736 CG GLU E 126 38.598 42.696 39.722 1.00104.55 C +ANISOU 4736 CG GLU E 126 11586 15965 12175 2091 -2512 -505 C +ATOM 4737 CD GLU E 126 39.231 43.036 38.387 1.00112.56 C +ANISOU 4737 CD GLU E 126 12259 17143 13365 2038 -2352 -651 C +ATOM 4738 OE1 GLU E 126 39.997 42.203 37.859 1.00116.60 O +ANISOU 4738 OE1 GLU E 126 12621 17782 13899 2436 -2378 -643 O +ATOM 4739 OE2 GLU E 126 38.972 44.143 37.871 1.00114.86 O +ANISOU 4739 OE2 GLU E 126 12437 17442 13764 1624 -2187 -760 O +ATOM 4740 N THR E 127 34.453 44.139 40.654 1.00 69.49 N +ANISOU 4740 N THR E 127 8236 10487 7680 1146 -2128 -250 N +ATOM 4741 CA THR E 127 33.514 45.256 40.645 1.00 65.58 C +ANISOU 4741 CA THR E 127 7863 9861 7192 745 -1953 -275 C +ATOM 4742 C THR E 127 32.132 44.925 41.202 1.00 61.07 C +ANISOU 4742 C THR E 127 7713 8950 6542 715 -1879 -43 C +ATOM 4743 O THR E 127 31.379 45.824 41.576 1.00 60.54 O +ANISOU 4743 O THR E 127 7771 8828 6405 454 -1773 -31 O +ATOM 4744 CB THR E 127 33.329 45.797 39.214 1.00 59.34 C +ANISOU 4744 CB THR E 127 6953 8987 6608 530 -1710 -379 C +ATOM 4745 OG1 THR E 127 32.692 44.799 38.406 1.00 49.84 O +ANISOU 4745 OG1 THR E 127 5951 7480 5507 685 -1620 -267 O +ATOM 4746 CG2 THR E 127 34.675 46.155 38.601 1.00 56.62 C +ANISOU 4746 CG2 THR E 127 6166 8991 6355 549 -1742 -573 C +ATOM 4747 N GLY E 128 31.795 43.641 41.255 1.00 62.05 N +ANISOU 4747 N GLY E 128 8054 8837 6686 984 -1924 151 N +ATOM 4748 CA GLY E 128 30.480 43.230 41.712 1.00 61.80 C +ANISOU 4748 CA GLY E 128 8389 8477 6616 941 -1840 406 C +ATOM 4749 C GLY E 128 29.429 43.400 40.631 1.00 65.35 C +ANISOU 4749 C GLY E 128 8943 8650 7237 694 -1611 423 C +ATOM 4750 O GLY E 128 28.239 43.187 40.867 1.00 66.38 O +ANISOU 4750 O GLY E 128 9331 8530 7362 594 -1513 630 O +ATOM 4751 N ILE E 129 29.875 43.791 39.441 1.00 65.80 N +ANISOU 4751 N ILE E 129 8778 8788 7435 606 -1523 218 N +ATOM 4752 CA ILE E 129 28.979 44.029 38.316 1.00 61.37 C +ANISOU 4752 CA ILE E 129 8273 8037 7007 396 -1313 208 C +ATOM 4753 C ILE E 129 28.759 42.758 37.505 1.00 62.22 C +ANISOU 4753 C ILE E 129 8507 7878 7254 568 -1332 239 C +ATOM 4754 O ILE E 129 29.710 42.161 37.000 1.00 68.69 O +ANISOU 4754 O ILE E 129 9201 8765 8133 810 -1419 113 O +ATOM 4755 CB ILE E 129 29.526 45.129 37.388 1.00 56.48 C +ANISOU 4755 CB ILE E 129 7363 7644 6454 226 -1181 -10 C +ATOM 4756 CG1 ILE E 129 29.760 46.421 38.173 1.00 51.13 C +ANISOU 4756 CG1 ILE E 129 6585 7175 5666 21 -1164 -74 C +ATOM 4757 CG2 ILE E 129 28.578 45.364 36.222 1.00 53.06 C +ANISOU 4757 CG2 ILE E 129 6987 7053 6119 53 -963 1 C +ATOM 4758 CD1 ILE E 129 30.393 47.525 37.355 1.00 47.87 C +ANISOU 4758 CD1 ILE E 129 5881 6961 5346 -165 -1027 -266 C +ATOM 4759 N GLU E 130 27.502 42.347 37.384 1.00 57.48 N +ANISOU 4759 N GLU E 130 8155 6980 6705 442 -1251 401 N +ATOM 4760 CA GLU E 130 27.156 41.173 36.594 1.00 57.64 C +ANISOU 4760 CA GLU E 130 8329 6699 6874 541 -1275 403 C +ATOM 4761 C GLU E 130 27.169 41.475 35.100 1.00 55.45 C +ANISOU 4761 C GLU E 130 7905 6479 6683 463 -1159 188 C +ATOM 4762 O GLU E 130 26.862 42.589 34.676 1.00 55.95 O +ANISOU 4762 O GLU E 130 7828 6717 6712 243 -1001 140 O +ATOM 4763 CB GLU E 130 25.780 40.637 37.002 1.00 60.66 C +ANISOU 4763 CB GLU E 130 8995 6758 7296 387 -1239 656 C +ATOM 4764 CG GLU E 130 25.691 40.148 38.443 1.00 64.73 C +ANISOU 4764 CG GLU E 130 9689 7184 7721 508 -1335 918 C +ATOM 4765 CD GLU E 130 26.307 38.775 38.647 1.00 70.27 C +ANISOU 4765 CD GLU E 130 10537 7661 8500 833 -1492 966 C +ATOM 4766 OE1 GLU E 130 26.914 38.238 37.696 1.00 70.15 O +ANISOU 4766 OE1 GLU E 130 10479 7578 8598 987 -1536 762 O +ATOM 4767 OE2 GLU E 130 26.182 38.230 39.764 1.00 74.60 O +ANISOU 4767 OE2 GLU E 130 11259 8101 8985 963 -1557 1220 O +ATOM 4768 N ILE E 131 27.533 40.471 34.309 1.00 56.69 N +ANISOU 4768 N ILE E 131 8115 6486 6940 673 -1228 65 N +ATOM 4769 CA ILE E 131 27.419 40.551 32.859 1.00 55.58 C +ANISOU 4769 CA ILE E 131 7890 6373 6856 640 -1131 -133 C +ATOM 4770 C ILE E 131 26.383 39.533 32.405 1.00 58.86 C +ANISOU 4770 C ILE E 131 8584 6402 7377 575 -1169 -106 C +ATOM 4771 O ILE E 131 26.650 38.332 32.393 1.00 59.27 O +ANISOU 4771 O ILE E 131 8825 6183 7513 795 -1299 -141 O +ATOM 4772 CB ILE E 131 28.763 40.277 32.156 1.00 56.38 C +ANISOU 4772 CB ILE E 131 7801 6661 6961 961 -1173 -351 C +ATOM 4773 CG1 ILE E 131 29.818 41.296 32.594 1.00 59.32 C +ANISOU 4773 CG1 ILE E 131 7848 7436 7254 977 -1146 -379 C +ATOM 4774 CG2 ILE E 131 28.588 40.289 30.644 1.00 50.86 C +ANISOU 4774 CG2 ILE E 131 7043 5996 6284 965 -1067 -548 C +ATOM 4775 CD1 ILE E 131 31.186 41.053 31.992 1.00 48.30 C +ANISOU 4775 CD1 ILE E 131 6207 6285 5859 1297 -1179 -552 C +ATOM 4776 N ILE E 132 25.195 40.008 32.047 1.00 61.84 N +ANISOU 4776 N ILE E 132 8989 6751 7756 271 -1057 -43 N +ATOM 4777 CA ILE E 132 24.098 39.105 31.718 1.00 70.22 C +ANISOU 4777 CA ILE E 132 10285 7468 8928 133 -1109 -2 C +ATOM 4778 C ILE E 132 23.811 39.034 30.219 1.00 71.58 C +ANISOU 4778 C ILE E 132 10407 7679 9112 100 -1073 -246 C +ATOM 4779 O ILE E 132 23.897 40.033 29.502 1.00 70.07 O +ANISOU 4779 O ILE E 132 9992 7811 8820 52 -931 -336 O +ATOM 4780 CB ILE E 132 22.804 39.500 32.467 1.00 69.73 C +ANISOU 4780 CB ILE E 132 10294 7345 8855 -184 -1034 283 C +ATOM 4781 CG1 ILE E 132 22.300 40.868 32.009 1.00 69.71 C +ANISOU 4781 CG1 ILE E 132 10082 7668 8737 -386 -842 286 C +ATOM 4782 CG2 ILE E 132 23.044 39.510 33.969 1.00 66.25 C +ANISOU 4782 CG2 ILE E 132 9930 6876 8365 -118 -1072 526 C +ATOM 4783 CD1 ILE E 132 20.987 41.269 32.641 1.00 70.34 C +ANISOU 4783 CD1 ILE E 132 10217 7723 8786 -657 -747 566 C +ATOM 4784 N ALA E 133 23.495 37.830 29.753 1.00 75.19 N +ANISOU 4784 N ALA E 133 11087 7793 9687 138 -1203 -357 N +ATOM 4785 CA ALA E 133 23.108 37.610 28.365 1.00 77.32 C +ANISOU 4785 CA ALA E 133 11355 8072 9950 103 -1209 -613 C +ATOM 4786 C ALA E 133 21.599 37.761 28.222 1.00 78.60 C +ANISOU 4786 C ALA E 133 11546 8176 10142 -283 -1183 -494 C +ATOM 4787 O ALA E 133 20.847 36.808 28.428 1.00 81.55 O +ANISOU 4787 O ALA E 133 12139 8181 10664 -443 -1304 -441 O +ATOM 4788 CB ALA E 133 23.559 36.238 27.897 1.00 79.53 C +ANISOU 4788 CB ALA E 133 11880 8001 10335 344 -1376 -841 C +ATOM 4789 N ILE E 134 21.163 38.964 27.863 1.00 73.74 N +ANISOU 4789 N ILE E 134 10699 7929 9390 -429 -1016 -437 N +ATOM 4790 CA ILE E 134 19.743 39.293 27.836 1.00 68.50 C +ANISOU 4790 CA ILE E 134 10004 7304 8720 -768 -962 -270 C +ATOM 4791 C ILE E 134 19.219 39.486 26.405 1.00 67.37 C +ANISOU 4791 C ILE E 134 9746 7373 8480 -825 -942 -485 C +ATOM 4792 O ILE E 134 18.073 39.149 26.101 1.00 72.37 O +ANISOU 4792 O ILE E 134 10408 7937 9151 -1077 -1006 -461 O +ATOM 4793 CB ILE E 134 19.475 40.558 28.687 1.00 62.93 C +ANISOU 4793 CB ILE E 134 9149 6849 7911 -880 -770 19 C +ATOM 4794 CG1 ILE E 134 18.015 40.994 28.585 1.00 63.01 C +ANISOU 4794 CG1 ILE E 134 9090 6968 7882 -1179 -681 209 C +ATOM 4795 CG2 ILE E 134 20.426 41.681 28.297 1.00 60.51 C +ANISOU 4795 CG2 ILE E 134 8630 6893 7467 -704 -612 -80 C +ATOM 4796 CD1 ILE E 134 17.652 42.151 29.492 1.00 59.61 C +ANISOU 4796 CD1 ILE E 134 8569 6733 7347 -1264 -487 501 C +ATOM 4797 N GLY E 135 20.075 40.001 25.529 1.00 61.98 N +ANISOU 4797 N GLY E 135 8916 6970 7665 -584 -856 -690 N +ATOM 4798 CA GLY E 135 19.765 40.153 24.116 1.00 60.07 C +ANISOU 4798 CA GLY E 135 8568 6968 7287 -552 -835 -912 C +ATOM 4799 C GLY E 135 18.603 41.050 23.713 1.00 58.28 C +ANISOU 4799 C GLY E 135 8165 7045 6933 -777 -700 -765 C +ATOM 4800 O GLY E 135 18.590 42.239 24.030 1.00 54.46 O +ANISOU 4800 O GLY E 135 7519 6814 6361 -799 -483 -551 O +ATOM 4801 N LYS E 136 17.630 40.477 23.006 1.00 56.41 N +ANISOU 4801 N LYS E 136 7965 6784 6685 -939 -834 -886 N +ATOM 4802 CA LYS E 136 16.560 41.253 22.372 1.00 62.16 C +ANISOU 4802 CA LYS E 136 8492 7877 7248 -1092 -726 -789 C +ATOM 4803 C LYS E 136 15.637 42.040 23.303 1.00 61.10 C +ANISOU 4803 C LYS E 136 8262 7828 7124 -1330 -577 -394 C +ATOM 4804 O LYS E 136 15.047 43.036 22.888 1.00 64.31 O +ANISOU 4804 O LYS E 136 8474 8601 7359 -1351 -396 -255 O +ATOM 4805 CB LYS E 136 15.690 40.327 21.514 1.00 71.80 C +ANISOU 4805 CB LYS E 136 9769 9042 8469 -1249 -957 -1024 C +ATOM 4806 CG LYS E 136 16.302 39.927 20.184 1.00 80.71 C +ANISOU 4806 CG LYS E 136 10923 10291 9454 -983 -1048 -1432 C +ATOM 4807 CD LYS E 136 15.317 39.098 19.371 1.00 87.57 C +ANISOU 4807 CD LYS E 136 11841 11130 10301 -1182 -1295 -1682 C +ATOM 4808 CE LYS E 136 15.732 39.003 17.911 1.00 91.59 C +ANISOU 4808 CE LYS E 136 12321 11918 10562 -895 -1343 -2067 C +ATOM 4809 NZ LYS E 136 16.750 37.940 17.684 1.00 95.69 N +ANISOU 4809 NZ LYS E 136 13112 12083 11164 -647 -1501 -2417 N +ATOM 4810 N SER E 137 15.506 41.606 24.551 1.00 59.20 N +ANISOU 4810 N SER E 137 8165 7266 7063 -1474 -635 -197 N +ATOM 4811 CA SER E 137 14.591 42.272 25.475 1.00 55.29 C +ANISOU 4811 CA SER E 137 7596 6851 6559 -1673 -494 180 C +ATOM 4812 C SER E 137 15.196 43.544 26.066 1.00 52.56 C +ANISOU 4812 C SER E 137 7178 6683 6109 -1522 -242 355 C +ATOM 4813 O SER E 137 14.488 44.355 26.661 1.00 50.45 O +ANISOU 4813 O SER E 137 6842 6555 5773 -1621 -73 643 O +ATOM 4814 CB SER E 137 14.155 41.321 26.591 1.00 52.62 C +ANISOU 4814 CB SER E 137 7438 6123 6433 -1876 -635 354 C +ATOM 4815 OG SER E 137 15.263 40.828 27.312 1.00 59.63 O +ANISOU 4815 OG SER E 137 8511 6712 7432 -1705 -703 302 O +ATOM 4816 N SER E 138 16.503 43.719 25.902 1.00 49.20 N +ANISOU 4816 N SER E 138 6766 6254 5673 -1284 -216 176 N +ATOM 4817 CA SER E 138 17.192 44.852 26.510 1.00 41.18 C +ANISOU 4817 CA SER E 138 5690 5360 4597 -1180 -10 302 C +ATOM 4818 C SER E 138 17.179 46.080 25.605 1.00 45.23 C +ANISOU 4818 C SER E 138 6009 6236 4940 -1095 235 310 C +ATOM 4819 O SER E 138 17.479 45.996 24.414 1.00 55.73 O +ANISOU 4819 O SER E 138 7247 7733 6196 -963 235 108 O +ATOM 4820 CB SER E 138 18.633 44.473 26.853 1.00 41.32 C +ANISOU 4820 CB SER E 138 5775 5224 4701 -986 -102 135 C +ATOM 4821 OG SER E 138 19.454 45.621 26.972 1.00 44.68 O +ANISOU 4821 OG SER E 138 6076 5843 5059 -883 91 158 O +ATOM 4822 N VAL E 139 16.828 47.221 26.189 1.00 36.83 N +ANISOU 4822 N VAL E 139 4525 4839 4629 253 -284 -529 N +ATOM 4823 CA VAL E 139 16.864 48.502 25.488 1.00 37.65 C +ANISOU 4823 CA VAL E 139 4647 4870 4787 237 -242 -588 C +ATOM 4824 C VAL E 139 18.289 49.068 25.352 1.00 35.14 C +ANISOU 4824 C VAL E 139 4299 4564 4489 169 -272 -627 C +ATOM 4825 O VAL E 139 18.640 49.574 24.283 1.00 36.86 O +ANISOU 4825 O VAL E 139 4514 4727 4763 140 -249 -625 O +ATOM 4826 CB VAL E 139 15.952 49.544 26.184 1.00 35.60 C +ANISOU 4826 CB VAL E 139 4444 4591 4491 253 -196 -658 C +ATOM 4827 CG1 VAL E 139 16.185 50.933 25.611 1.00 34.68 C +ANISOU 4827 CG1 VAL E 139 4396 4351 4431 237 -166 -716 C +ATOM 4828 CG2 VAL E 139 14.491 49.147 26.042 1.00 34.17 C +ANISOU 4828 CG2 VAL E 139 4247 4444 4293 321 -153 -610 C +ATOM 4829 N PRO E 140 19.113 48.996 26.421 1.00 31.20 N +ANISOU 4829 N PRO E 140 3765 4166 3925 120 -327 -653 N +ATOM 4830 CA PRO E 140 20.503 49.427 26.221 1.00 37.29 C +ANISOU 4830 CA PRO E 140 4465 5004 4701 33 -362 -675 C +ATOM 4831 C PRO E 140 21.199 48.694 25.073 1.00 34.05 C +ANISOU 4831 C PRO E 140 3957 4629 4351 86 -358 -615 C +ATOM 4832 O PRO E 140 21.998 49.303 24.362 1.00 32.37 O +ANISOU 4832 O PRO E 140 3693 4446 4159 5 -344 -631 O +ATOM 4833 CB PRO E 140 21.164 49.093 27.559 1.00 41.46 C +ANISOU 4833 CB PRO E 140 4937 5685 5132 -2 -440 -679 C +ATOM 4834 CG PRO E 140 20.074 49.227 28.542 1.00 40.64 C +ANISOU 4834 CG PRO E 140 4931 5551 4959 8 -421 -714 C +ATOM 4835 CD PRO E 140 18.842 48.718 27.845 1.00 33.91 C +ANISOU 4835 CD PRO E 140 4123 4595 4167 113 -360 -665 C +ATOM 4836 N VAL E 141 20.900 47.409 24.901 1.00 31.47 N +ANISOU 4836 N VAL E 141 3621 4296 4041 209 -364 -551 N +ATOM 4837 CA VAL E 141 21.431 46.645 23.776 1.00 32.10 C +ANISOU 4837 CA VAL E 141 3643 4384 4171 287 -342 -521 C +ATOM 4838 C VAL E 141 20.947 47.216 22.444 1.00 35.32 C +ANISOU 4838 C VAL E 141 4094 4705 4622 245 -270 -536 C +ATOM 4839 O VAL E 141 21.733 47.392 21.512 1.00 39.68 O +ANISOU 4839 O VAL E 141 4574 5312 5189 221 -240 -545 O +ATOM 4840 CB VAL E 141 21.036 45.156 23.868 1.00 35.34 C +ANISOU 4840 CB VAL E 141 4103 4740 4586 417 -360 -462 C +ATOM 4841 CG1 VAL E 141 21.275 44.451 22.540 1.00 29.68 C +ANISOU 4841 CG1 VAL E 141 3385 3977 3914 497 -310 -466 C +ATOM 4842 CG2 VAL E 141 21.806 44.473 24.987 1.00 44.06 C +ANISOU 4842 CG2 VAL E 141 5151 5941 5648 489 -442 -414 C +ATOM 4843 N ARG E 142 19.654 47.517 22.363 1.00 35.19 N +ANISOU 4843 N ARG E 142 4177 4582 4611 235 -245 -530 N +ATOM 4844 CA ARG E 142 19.081 48.091 21.149 1.00 36.04 C +ANISOU 4844 CA ARG E 142 4325 4620 4747 204 -195 -520 C +ATOM 4845 C ARG E 142 19.660 49.472 20.856 1.00 36.90 C +ANISOU 4845 C ARG E 142 4438 4715 4866 98 -182 -542 C +ATOM 4846 O ARG E 142 19.913 49.816 19.700 1.00 35.02 O +ANISOU 4846 O ARG E 142 4194 4473 4639 49 -150 -518 O +ATOM 4847 CB ARG E 142 17.556 48.168 21.260 1.00 33.57 C +ANISOU 4847 CB ARG E 142 4086 4241 4429 234 -183 -495 C +ATOM 4848 CG ARG E 142 16.886 48.984 20.164 1.00 28.81 C +ANISOU 4848 CG ARG E 142 3518 3582 3848 216 -150 -464 C +ATOM 4849 CD ARG E 142 17.121 48.415 18.776 1.00 23.56 C +ANISOU 4849 CD ARG E 142 2832 2941 3178 197 -131 -433 C +ATOM 4850 NE ARG E 142 16.379 49.167 17.768 1.00 36.56 N +ANISOU 4850 NE ARG E 142 4510 4556 4824 176 -116 -378 N +ATOM 4851 CZ ARG E 142 16.544 49.031 16.456 1.00 39.16 C +ANISOU 4851 CZ ARG E 142 4834 4918 5128 131 -97 -346 C +ATOM 4852 NH1 ARG E 142 17.438 48.173 15.985 1.00 36.78 N +ANISOU 4852 NH1 ARG E 142 4496 4674 4803 115 -75 -388 N +ATOM 4853 NH2 ARG E 142 15.821 49.760 15.616 1.00 41.47 N +ANISOU 4853 NH2 ARG E 142 5156 5194 5408 115 -99 -271 N +ATOM 4854 N ILE E 143 19.871 50.259 21.906 1.00 35.87 N +ANISOU 4854 N ILE E 143 4337 4574 4717 40 -207 -588 N +ATOM 4855 CA ILE E 143 20.514 51.560 21.765 1.00 37.71 C +ANISOU 4855 CA ILE E 143 4611 4769 4949 -101 -205 -617 C +ATOM 4856 C ILE E 143 21.945 51.383 21.261 1.00 41.60 C +ANISOU 4856 C ILE E 143 4969 5414 5423 -196 -212 -608 C +ATOM 4857 O ILE E 143 22.404 52.125 20.391 1.00 48.04 O +ANISOU 4857 O ILE E 143 5794 6221 6238 -318 -187 -587 O +ATOM 4858 CB ILE E 143 20.507 52.340 23.093 1.00 35.40 C +ANISOU 4858 CB ILE E 143 4398 4436 4618 -162 -232 -696 C +ATOM 4859 CG1 ILE E 143 19.087 52.811 23.415 1.00 32.76 C +ANISOU 4859 CG1 ILE E 143 4195 3955 4299 -59 -198 -717 C +ATOM 4860 CG2 ILE E 143 21.447 53.532 23.025 1.00 33.44 C +ANISOU 4860 CG2 ILE E 143 4197 4158 4350 -362 -244 -734 C +ATOM 4861 CD1 ILE E 143 18.918 53.322 24.826 1.00 34.58 C +ANISOU 4861 CD1 ILE E 143 4503 4167 4470 -78 -207 -818 C +ATOM 4862 N ALA E 144 22.638 50.386 21.803 1.00 41.13 N +ANISOU 4862 N ALA E 144 4779 5511 5339 -131 -246 -611 N +ATOM 4863 CA ALA E 144 23.983 50.047 21.347 1.00 40.68 C +ANISOU 4863 CA ALA E 144 4547 5651 5260 -163 -246 -601 C +ATOM 4864 C ALA E 144 23.957 49.633 19.880 1.00 41.55 C +ANISOU 4864 C ALA E 144 4630 5766 5392 -113 -176 -572 C +ATOM 4865 O ALA E 144 24.876 49.942 19.120 1.00 40.99 O +ANISOU 4865 O ALA E 144 4452 5831 5293 -207 -142 -566 O +ATOM 4866 CB ALA E 144 24.573 48.937 22.202 1.00 30.61 C +ANISOU 4866 CB ALA E 144 3145 4522 3962 -34 -301 -592 C +ATOM 4867 N GLU E 145 22.900 48.925 19.496 1.00 34.86 N +ANISOU 4867 N GLU E 145 3875 4795 4575 14 -153 -556 N +ATOM 4868 CA GLU E 145 22.722 48.485 18.118 1.00 29.90 C +ANISOU 4868 CA GLU E 145 3249 4165 3945 50 -90 -542 C +ATOM 4869 C GLU E 145 22.538 49.678 17.185 1.00 34.04 C +ANISOU 4869 C GLU E 145 3832 4646 4456 -103 -57 -507 C +ATOM 4870 O GLU E 145 23.062 49.694 16.071 1.00 41.78 O +ANISOU 4870 O GLU E 145 4754 5722 5397 -156 -4 -495 O +ATOM 4871 CB GLU E 145 21.526 47.537 18.011 1.00 34.83 C +ANISOU 4871 CB GLU E 145 3980 4668 4586 168 -90 -533 C +ATOM 4872 CG GLU E 145 21.320 46.952 16.626 1.00 39.74 C +ANISOU 4872 CG GLU E 145 4622 5295 5183 191 -31 -538 C +ATOM 4873 CD GLU E 145 20.350 45.787 16.622 1.00 54.09 C +ANISOU 4873 CD GLU E 145 6540 7013 7000 280 -41 -542 C +ATOM 4874 OE1 GLU E 145 19.131 46.023 16.769 1.00 52.21 O +ANISOU 4874 OE1 GLU E 145 6382 6693 6762 242 -66 -502 O +ATOM 4875 OE2 GLU E 145 20.806 44.633 16.468 1.00 60.36 O +ANISOU 4875 OE2 GLU E 145 7335 7812 7787 386 -23 -584 O +ATOM 4876 N ILE E 146 21.789 50.674 17.647 1.00 33.45 N +ANISOU 4876 N ILE E 146 3881 4423 4404 -163 -86 -487 N +ATOM 4877 CA ILE E 146 21.565 51.892 16.877 1.00 32.86 C +ANISOU 4877 CA ILE E 146 3904 4257 4326 -290 -70 -433 C +ATOM 4878 C ILE E 146 22.882 52.636 16.658 1.00 42.05 C +ANISOU 4878 C ILE E 146 5002 5528 5448 -487 -60 -430 C +ATOM 4879 O ILE E 146 23.170 53.099 15.552 1.00 48.14 O +ANISOU 4879 O ILE E 146 5777 6333 6180 -604 -24 -372 O +ATOM 4880 CB ILE E 146 20.549 52.818 17.577 1.00 32.66 C +ANISOU 4880 CB ILE E 146 4038 4030 4341 -269 -100 -427 C +ATOM 4881 CG1 ILE E 146 19.136 52.242 17.453 1.00 36.92 C +ANISOU 4881 CG1 ILE E 146 4616 4512 4901 -107 -99 -398 C +ATOM 4882 CG2 ILE E 146 20.606 54.225 16.999 1.00 28.48 C +ANISOU 4882 CG2 ILE E 146 3641 3368 3812 -408 -96 -369 C +ATOM 4883 CD1 ILE E 146 18.084 53.032 18.203 1.00 32.76 C +ANISOU 4883 CD1 ILE E 146 4205 3835 4407 -32 -113 -402 C +ATOM 4884 N TYR E 147 23.683 52.733 17.714 1.00 42.99 N +ANISOU 4884 N TYR E 147 5050 5728 5555 -545 -97 -486 N +ATOM 4885 CA TYR E 147 24.989 53.380 17.627 1.00 47.54 C +ANISOU 4885 CA TYR E 147 5529 6460 6075 -766 -98 -486 C +ATOM 4886 C TYR E 147 25.950 52.582 16.754 1.00 52.59 C +ANISOU 4886 C TYR E 147 5948 7371 6664 -747 -43 -476 C +ATOM 4887 O TYR E 147 26.821 53.153 16.100 1.00 56.15 O +ANISOU 4887 O TYR E 147 6316 7969 7049 -945 -11 -444 O +ATOM 4888 CB TYR E 147 25.583 53.584 19.022 1.00 39.13 C +ANISOU 4888 CB TYR E 147 4420 5460 4988 -838 -164 -550 C +ATOM 4889 CG TYR E 147 25.216 54.912 19.643 1.00 39.91 C +ANISOU 4889 CG TYR E 147 4740 5336 5089 -1000 -198 -578 C +ATOM 4890 CD1 TYR E 147 25.879 56.075 19.273 1.00 39.88 C +ANISOU 4890 CD1 TYR E 147 4807 5305 5039 -1285 -200 -555 C +ATOM 4891 CD2 TYR E 147 24.200 55.009 20.585 1.00 44.58 C +ANISOU 4891 CD2 TYR E 147 5484 5736 5717 -874 -222 -631 C +ATOM 4892 CE1 TYR E 147 25.551 57.295 19.830 1.00 42.03 C +ANISOU 4892 CE1 TYR E 147 5333 5323 5315 -1429 -229 -593 C +ATOM 4893 CE2 TYR E 147 23.862 56.227 21.148 1.00 47.92 C +ANISOU 4893 CE2 TYR E 147 6132 5937 6139 -991 -238 -681 C +ATOM 4894 CZ TYR E 147 24.542 57.366 20.766 1.00 49.95 C +ANISOU 4894 CZ TYR E 147 6491 6126 6362 -1262 -244 -666 C +ATOM 4895 OH TYR E 147 24.213 58.581 21.320 1.00 56.76 O +ANISOU 4895 OH TYR E 147 7626 6718 7223 -1374 -259 -729 O +ATOM 4896 N ALA E 148 25.793 51.261 16.753 1.00 48.92 N +ANISOU 4896 N ALA E 148 5396 6970 6220 -512 -26 -508 N +ATOM 4897 CA ALA E 148 26.579 50.403 15.874 1.00 49.72 C +ANISOU 4897 CA ALA E 148 5317 7297 6277 -431 45 -523 C +ATOM 4898 C ALA E 148 26.311 50.760 14.416 1.00 48.18 C +ANISOU 4898 C ALA E 148 5182 7091 6035 -525 119 -481 C +ATOM 4899 O ALA E 148 27.213 50.728 13.580 1.00 50.87 O +ANISOU 4899 O ALA E 148 5372 7661 6297 -598 189 -481 O +ATOM 4900 CB ALA E 148 26.265 48.938 16.134 1.00 53.00 C +ANISOU 4900 CB ALA E 148 5715 7690 6733 -151 46 -568 C +ATOM 4901 N GLY E 149 25.059 51.100 14.124 1.00 46.65 N +ANISOU 4901 N GLY E 149 5192 6660 5874 -519 102 -437 N +ATOM 4902 CA GLY E 149 24.673 51.554 12.802 1.00 48.01 C +ANISOU 4902 CA GLY E 149 5442 6808 5990 -620 147 -369 C +ATOM 4903 C GLY E 149 25.268 52.908 12.462 1.00 48.36 C +ANISOU 4903 C GLY E 149 5512 6877 5984 -892 147 -289 C +ATOM 4904 O GLY E 149 25.753 53.122 11.350 1.00 45.49 O +ANISOU 4904 O GLY E 149 5095 6663 5525 -1025 209 -241 O +ATOM 4905 N ILE E 150 25.217 53.825 13.424 1.00 47.17 N +ANISOU 4905 N ILE E 150 5465 6575 5884 -991 81 -278 N +ATOM 4906 CA ILE E 150 25.727 55.179 13.233 1.00 46.50 C +ANISOU 4906 CA ILE E 150 5467 6446 5756 -1279 68 -204 C +ATOM 4907 C ILE E 150 27.229 55.181 12.965 1.00 43.50 C +ANISOU 4907 C ILE E 150 4858 6396 5274 -1479 112 -214 C +ATOM 4908 O ILE E 150 27.710 55.891 12.082 1.00 47.84 O +ANISOU 4908 O ILE E 150 5417 7025 5735 -1720 147 -128 O +ATOM 4909 CB ILE E 150 25.439 56.067 14.459 1.00 49.13 C +ANISOU 4909 CB ILE E 150 5973 6540 6154 -1338 -8 -232 C +ATOM 4910 CG1 ILE E 150 23.935 56.163 14.709 1.00 50.04 C +ANISOU 4910 CG1 ILE E 150 6290 6363 6359 -1129 -38 -220 C +ATOM 4911 CG2 ILE E 150 26.033 57.455 14.267 1.00 52.69 C +ANISOU 4911 CG2 ILE E 150 6555 6910 6553 -1668 -25 -164 C +ATOM 4912 CD1 ILE E 150 23.573 57.096 15.837 1.00 50.37 C +ANISOU 4912 CD1 ILE E 150 6528 6157 6455 -1160 -91 -265 C +ATOM 4913 N PHE E 151 27.964 54.371 13.720 1.00 42.90 N +ANISOU 4913 N PHE E 151 4564 6534 5201 -1376 109 -306 N +ATOM 4914 CA PHE E 151 29.414 54.317 13.581 1.00 50.61 C +ANISOU 4914 CA PHE E 151 5268 7884 6079 -1533 147 -317 C +ATOM 4915 C PHE E 151 29.800 53.599 12.295 1.00 48.05 C +ANISOU 4915 C PHE E 151 4774 7810 5672 -1458 261 -315 C +ATOM 4916 O PHE E 151 30.899 53.789 11.774 1.00 45.64 O +ANISOU 4916 O PHE E 151 4258 7831 5253 -1636 322 -296 O +ATOM 4917 CB PHE E 151 30.051 53.633 14.790 1.00 52.13 C +ANISOU 4917 CB PHE E 151 5263 8249 6296 -1402 97 -400 C +ATOM 4918 CG PHE E 151 30.278 54.554 15.953 1.00 54.90 C +ANISOU 4918 CG PHE E 151 5692 8520 6647 -1618 0 -408 C +ATOM 4919 CD1 PHE E 151 31.301 55.487 15.925 1.00 51.46 C +ANISOU 4919 CD1 PHE E 151 5169 8273 6109 -1980 -13 -374 C +ATOM 4920 CD2 PHE E 151 29.467 54.491 17.074 1.00 54.50 C +ANISOU 4920 CD2 PHE E 151 5807 8220 6679 -1483 -76 -458 C +ATOM 4921 CE1 PHE E 151 31.511 56.341 16.991 1.00 48.23 C +ANISOU 4921 CE1 PHE E 151 4863 7780 5684 -2210 -106 -402 C +ATOM 4922 CE2 PHE E 151 29.674 55.340 18.146 1.00 52.96 C +ANISOU 4922 CE2 PHE E 151 5704 7956 6464 -1687 -158 -491 C +ATOM 4923 CZ PHE E 151 30.698 56.266 18.104 1.00 44.28 C +ANISOU 4923 CZ PHE E 151 4541 7020 5264 -2054 -176 -469 C +ATOM 4924 N SER E 152 28.890 52.772 11.791 1.00 40.67 N +ANISOU 4924 N SER E 152 3931 6744 4779 -1209 294 -342 N +ATOM 4925 CA SER E 152 29.083 52.126 10.501 1.00 38.17 C +ANISOU 4925 CA SER E 152 3516 6619 4368 -1145 406 -359 C +ATOM 4926 C SER E 152 28.990 53.167 9.393 1.00 48.40 C +ANISOU 4926 C SER E 152 4918 7910 5560 -1430 438 -238 C +ATOM 4927 O SER E 152 29.763 53.142 8.436 1.00 57.28 O +ANISOU 4927 O SER E 152 5887 9330 6548 -1550 536 -226 O +ATOM 4928 CB SER E 152 28.052 51.019 10.286 1.00 39.61 C +ANISOU 4928 CB SER E 152 3812 6630 4607 -853 417 -423 C +ATOM 4929 OG SER E 152 28.378 49.869 11.046 1.00 44.22 O +ANISOU 4929 OG SER E 152 4275 7275 5253 -588 415 -528 O +ATOM 4930 N VAL E 153 28.036 54.082 9.535 1.00 42.24 N +ANISOU 4930 N VAL E 153 4407 6802 4840 -1526 356 -142 N +ATOM 4931 CA VAL E 153 27.891 55.202 8.612 1.00 45.39 C +ANISOU 4931 CA VAL E 153 4957 7134 5154 -1797 358 8 C +ATOM 4932 C VAL E 153 29.114 56.118 8.675 1.00 47.30 C +ANISOU 4932 C VAL E 153 5102 7563 5306 -2145 369 64 C +ATOM 4933 O VAL E 153 29.627 56.552 7.641 1.00 45.08 O +ANISOU 4933 O VAL E 153 4778 7469 4882 -2383 433 157 O +ATOM 4934 CB VAL E 153 26.613 56.015 8.914 1.00 48.33 C +ANISOU 4934 CB VAL E 153 5645 7089 5630 -1773 258 100 C +ATOM 4935 CG1 VAL E 153 26.624 57.338 8.164 1.00 47.78 C +ANISOU 4935 CG1 VAL E 153 5761 6909 5486 -2068 239 278 C +ATOM 4936 CG2 VAL E 153 25.377 55.208 8.547 1.00 48.57 C +ANISOU 4936 CG2 VAL E 153 5748 7005 5702 -1501 251 83 C +ATOM 4937 N LYS E 154 29.577 56.405 9.890 1.00 44.06 N +ANISOU 4937 N LYS E 154 4655 7123 4961 -2202 306 10 N +ATOM 4938 CA LYS E 154 30.781 57.208 10.082 1.00 50.91 C +ANISOU 4938 CA LYS E 154 5409 8201 5734 -2563 304 48 C +ATOM 4939 C LYS E 154 31.975 56.529 9.426 1.00 53.47 C +ANISOU 4939 C LYS E 154 5358 9041 5917 -2600 418 12 C +ATOM 4940 O LYS E 154 32.782 57.176 8.759 1.00 50.97 O +ANISOU 4940 O LYS E 154 4951 8961 5453 -2936 468 100 O +ATOM 4941 CB LYS E 154 31.061 57.439 11.567 1.00 53.98 C +ANISOU 4941 CB LYS E 154 5795 8514 6201 -2592 210 -31 C +ATOM 4942 CG LYS E 154 32.334 58.234 11.828 1.00 55.16 C +ANISOU 4942 CG LYS E 154 5810 8916 6234 -3003 195 0 C +ATOM 4943 CD LYS E 154 32.684 58.273 13.305 1.00 53.82 C +ANISOU 4943 CD LYS E 154 5589 8748 6111 -3018 100 -98 C +ATOM 4944 CE LYS E 154 34.113 58.750 13.515 1.00 62.73 C +ANISOU 4944 CE LYS E 154 6467 10273 7093 -3407 90 -81 C +ATOM 4945 NZ LYS E 154 34.364 60.065 12.863 1.00 67.78 N +ANISOU 4945 NZ LYS E 154 7309 10813 7631 -3880 91 44 N +ATOM 4946 N TRP E 155 32.077 55.220 9.634 1.00 54.43 N +ANISOU 4946 N TRP E 155 5270 9332 6079 -2247 463 -115 N +ATOM 4947 CA TRP E 155 33.114 54.411 9.009 1.00 56.65 C +ANISOU 4947 CA TRP E 155 5196 10089 6241 -2173 589 -177 C +ATOM 4948 C TRP E 155 33.065 54.555 7.492 1.00 57.50 C +ANISOU 4948 C TRP E 155 5325 10323 6201 -2300 702 -112 C +ATOM 4949 O TRP E 155 34.099 54.677 6.836 1.00 52.86 O +ANISOU 4949 O TRP E 155 4487 10150 5448 -2491 803 -91 O +ATOM 4950 CB TRP E 155 32.959 52.943 9.411 1.00 56.65 C +ANISOU 4950 CB TRP E 155 5073 10119 6331 -1714 613 -321 C +ATOM 4951 CG TRP E 155 33.940 52.026 8.751 1.00 61.14 C +ANISOU 4951 CG TRP E 155 5306 11134 6789 -1555 754 -407 C +ATOM 4952 CD1 TRP E 155 35.157 51.641 9.233 1.00 58.35 C +ANISOU 4952 CD1 TRP E 155 4592 11183 6396 -1490 781 -456 C +ATOM 4953 CD2 TRP E 155 33.784 51.370 7.487 1.00 62.92 C +ANISOU 4953 CD2 TRP E 155 5520 11466 6920 -1421 892 -463 C +ATOM 4954 NE1 TRP E 155 35.769 50.788 8.347 1.00 59.30 N +ANISOU 4954 NE1 TRP E 155 4473 11647 6413 -1291 939 -544 N +ATOM 4955 CE2 TRP E 155 34.947 50.606 7.266 1.00 56.89 C +ANISOU 4955 CE2 TRP E 155 4391 11158 6068 -1257 1014 -561 C +ATOM 4956 CE3 TRP E 155 32.773 51.356 6.520 1.00 60.06 C +ANISOU 4956 CE3 TRP E 155 5415 10878 6527 -1424 923 -442 C +ATOM 4957 CZ2 TRP E 155 35.129 49.838 6.117 1.00 57.41 C +ANISOU 4957 CZ2 TRP E 155 4366 11433 6014 -1090 1180 -661 C +ATOM 4958 CZ3 TRP E 155 32.954 50.592 5.381 1.00 61.66 C +ANISOU 4958 CZ3 TRP E 155 5528 11301 6599 -1295 1074 -533 C +ATOM 4959 CH2 TRP E 155 34.123 49.844 5.189 1.00 63.38 C +ANISOU 4959 CH2 TRP E 155 5404 11947 6730 -1127 1208 -652 C +ATOM 4960 N ALA E 156 31.855 54.539 6.942 1.00 60.55 N +ANISOU 4960 N ALA E 156 5994 10384 6628 -2201 684 -73 N +ATOM 4961 CA ALA E 156 31.662 54.706 5.507 1.00 66.30 C +ANISOU 4961 CA ALA E 156 6781 11208 7203 -2328 770 5 C +ATOM 4962 C ALA E 156 32.075 56.107 5.063 1.00 66.74 C +ANISOU 4962 C ALA E 156 6922 11296 7142 -2790 752 191 C +ATOM 4963 O ALA E 156 32.704 56.274 4.019 1.00 67.25 O +ANISOU 4963 O ALA E 156 6857 11684 7011 -3003 857 250 O +ATOM 4964 CB ALA E 156 30.214 54.433 5.131 1.00 45.72 C +ANISOU 4964 CB ALA E 156 4456 8251 4666 -2135 723 23 C +ATOM 4965 N LEU E 157 31.709 57.108 5.861 1.00 66.51 N +ANISOU 4965 N LEU E 157 7129 10920 7220 -2949 622 279 N +ATOM 4966 CA LEU E 157 32.075 58.497 5.593 1.00 68.93 C +ANISOU 4966 CA LEU E 157 7586 11171 7435 -3402 585 458 C +ATOM 4967 C LEU E 157 33.588 58.687 5.534 1.00 70.21 C +ANISOU 4967 C LEU E 157 7424 11815 7436 -3720 660 456 C +ATOM 4968 O LEU E 157 34.105 59.377 4.654 1.00 72.86 O +ANISOU 4968 O LEU E 157 7760 12329 7596 -4073 707 594 O +ATOM 4969 CB LEU E 157 31.486 59.421 6.663 1.00 73.13 C +ANISOU 4969 CB LEU E 157 8431 11228 8126 -3466 438 499 C +ATOM 4970 CG LEU E 157 29.977 59.672 6.665 1.00 74.15 C +ANISOU 4970 CG LEU E 157 8919 10863 8393 -3245 354 559 C +ATOM 4971 CD1 LEU E 157 29.632 60.788 7.640 1.00 74.71 C +ANISOU 4971 CD1 LEU E 157 9297 10507 8581 -3370 235 599 C +ATOM 4972 CD2 LEU E 157 29.485 60.013 5.272 1.00 75.83 C +ANISOU 4972 CD2 LEU E 157 9276 11048 8489 -3339 381 735 C +ATOM 4973 N ASP E 158 34.286 58.061 6.476 1.00 68.76 N +ANISOU 4973 N ASP E 158 6961 11859 7306 -3580 661 310 N +ATOM 4974 CA ASP E 158 35.730 58.201 6.597 1.00 77.29 C +ANISOU 4974 CA ASP E 158 7723 13397 8248 -3796 697 294 C +ATOM 4975 C ASP E 158 36.469 57.361 5.559 1.00 78.59 C +ANISOU 4975 C ASP E 158 7582 14025 8252 -3632 843 231 C +ATOM 4976 O ASP E 158 37.643 57.604 5.280 1.00 78.14 O +ANISOU 4976 O ASP E 158 7337 14312 8040 -3781 863 243 O +ATOM 4977 CB ASP E 158 36.183 57.796 8.002 1.00 83.66 C +ANISOU 4977 CB ASP E 158 8341 14283 9162 -3658 625 171 C +ATOM 4978 CG ASP E 158 35.564 58.655 9.085 1.00 87.07 C +ANISOU 4978 CG ASP E 158 9082 14273 9729 -3828 478 200 C +ATOM 4979 OD1 ASP E 158 35.133 59.786 8.779 1.00 88.92 O +ANISOU 4979 OD1 ASP E 158 9666 14174 9947 -4115 426 328 O +ATOM 4980 OD2 ASP E 158 35.494 58.188 10.242 1.00 86.92 O +ANISOU 4980 OD2 ASP E 158 9009 14189 9828 -3604 403 89 O +ATOM 4981 N ASN E 159 35.783 56.369 4.996 1.00 75.84 N +ANISOU 4981 N ASN E 159 7198 13685 7931 -3326 945 153 N +ATOM 4982 CA ASN E 159 36.418 55.424 4.080 1.00 80.90 C +ANISOU 4982 CA ASN E 159 7579 14725 8436 -3102 1090 45 C +ATOM 4983 C ASN E 159 35.842 55.371 2.665 1.00 85.89 C +ANISOU 4983 C ASN E 159 8355 15347 8934 -3135 1183 93 C +ATOM 4984 O ASN E 159 36.135 54.440 1.914 1.00 87.89 O +ANISOU 4984 O ASN E 159 8442 15863 9091 -2898 1309 -33 O +ATOM 4985 CB ASN E 159 36.369 54.023 4.683 1.00 80.39 C +ANISOU 4985 CB ASN E 159 7305 14746 8493 -2627 1144 -149 C +ATOM 4986 CG ASN E 159 37.184 53.912 5.946 1.00 86.98 C +ANISOU 4986 CG ASN E 159 7931 15704 9413 -2550 1057 -197 C +ATOM 4987 OD1 ASN E 159 37.986 54.790 6.263 1.00 94.96 O +ANISOU 4987 OD1 ASN E 159 8900 16828 10352 -2851 981 -111 O +ATOM 4988 ND2 ASN E 159 36.995 52.822 6.671 1.00 86.92 N +ANISOU 4988 ND2 ASN E 159 7806 15677 9543 -2146 1061 -331 N +ATOM 4989 N VAL E 160 35.012 56.343 2.302 1.00 87.57 N +ANISOU 4989 N VAL E 160 8895 15239 9137 -3409 1111 272 N +ATOM 4990 CA VAL E 160 34.358 56.322 0.994 1.00 87.31 C +ANISOU 4990 CA VAL E 160 9023 15181 8970 -3441 1172 343 C +ATOM 4991 C VAL E 160 35.334 56.687 -0.130 1.00 89.45 C +ANISOU 4991 C VAL E 160 9184 15798 9004 -3651 1227 392 C +ATOM 4992 O VAL E 160 35.265 56.136 -1.229 1.00 91.80 O +ANISOU 4992 O VAL E 160 9439 16286 9156 -3558 1329 340 O +ATOM 4993 CB VAL E 160 33.134 57.276 0.949 1.00 70.05 C +ANISOU 4993 CB VAL E 160 7242 12521 6851 -3629 1052 552 C +ATOM 4994 CG1 VAL E 160 33.538 58.708 1.269 1.00 69.91 C +ANISOU 4994 CG1 VAL E 160 7401 12326 6836 -4007 929 729 C +ATOM 4995 CG2 VAL E 160 32.422 57.188 -0.402 1.00 73.71 C +ANISOU 4995 CG2 VAL E 160 7859 12990 7159 -3640 1097 639 C +ATOM 4996 N LYS E 161 36.257 57.597 0.156 1.00 90.72 N +ANISOU 4996 N LYS E 161 9300 16053 9115 -3945 1160 480 N +ATOM 4997 CA LYS E 161 37.139 58.137 -0.872 1.00 94.17 C +ANISOU 4997 CA LYS E 161 9663 16800 9319 -4214 1194 560 C +ATOM 4998 C LYS E 161 38.311 57.213 -1.216 1.00 96.11 C +ANISOU 4998 C LYS E 161 9504 17573 9439 -4030 1326 380 C +ATOM 4999 O LYS E 161 38.987 57.423 -2.226 1.00100.98 O +ANISOU 4999 O LYS E 161 10021 18503 9844 -4199 1384 413 O +ATOM 5000 CB LYS E 161 37.653 59.514 -0.443 1.00 92.61 C +ANISOU 5000 CB LYS E 161 9605 16486 9097 -4626 1066 725 C +ATOM 5001 CG LYS E 161 36.570 60.587 -0.465 1.00 91.94 C +ANISOU 5001 CG LYS E 161 9968 15875 9090 -4832 942 932 C +ATOM 5002 CD LYS E 161 37.004 61.865 0.229 1.00 96.22 C +ANISOU 5002 CD LYS E 161 10693 16212 9654 -5179 811 1050 C +ATOM 5003 CE LYS E 161 36.001 62.980 -0.025 1.00 97.92 C +ANISOU 5003 CE LYS E 161 11378 15904 9922 -5362 695 1266 C +ATOM 5004 NZ LYS E 161 36.341 64.230 0.711 1.00102.26 N +ANISOU 5004 NZ LYS E 161 12166 16180 10510 -5673 569 1358 N +ATOM 5005 N GLU E 162 38.553 56.196 -0.391 1.00 94.20 N +ANISOU 5005 N GLU E 162 9036 17428 9327 -3672 1369 197 N +ATOM 5006 CA GLU E 162 39.594 55.227 -0.710 1.00 97.71 C +ANISOU 5006 CA GLU E 162 9120 18330 9676 -3421 1495 25 C +ATOM 5007 C GLU E 162 39.007 54.061 -1.497 1.00 97.99 C +ANISOU 5007 C GLU E 162 9162 18374 9697 -3068 1628 -132 C +ATOM 5008 O GLU E 162 39.720 53.390 -2.243 1.00101.45 O +ANISOU 5008 O GLU E 162 9387 19159 10002 -2913 1753 -256 O +ATOM 5009 CB GLU E 162 40.262 54.680 0.550 1.00107.53 C +ANISOU 5009 CB GLU E 162 10115 19684 11056 -3180 1465 -85 C +ATOM 5010 CG GLU E 162 39.318 54.000 1.518 1.00117.29 C +ANISOU 5010 CG GLU E 162 11454 20579 12533 -2862 1428 -169 C +ATOM 5011 CD GLU E 162 39.937 53.795 2.887 1.00124.03 C +ANISOU 5011 CD GLU E 162 12115 21496 13515 -2729 1347 -215 C +ATOM 5012 OE1 GLU E 162 41.144 54.075 3.049 1.00128.42 O +ANISOU 5012 OE1 GLU E 162 12436 22395 13964 -2853 1330 -194 O +ATOM 5013 OE2 GLU E 162 39.234 53.308 3.796 1.00121.31 O +ANISOU 5013 OE2 GLU E 162 11843 20884 13364 -2494 1297 -273 O +ATOM 5014 N LYS E 163 37.709 53.818 -1.321 1.00 95.90 N +ANISOU 5014 N LYS E 163 9150 17727 9560 -2944 1602 -134 N +ATOM 5015 CA LYS E 163 37.035 52.703 -1.992 1.00 93.24 C +ANISOU 5015 CA LYS E 163 8870 17353 9204 -2624 1715 -294 C +ATOM 5016 C LYS E 163 36.069 53.136 -3.094 1.00 87.75 C +ANISOU 5016 C LYS E 163 8456 16506 8379 -2829 1710 -178 C +ATOM 5017 O LYS E 163 35.577 52.297 -3.851 1.00 87.41 O +ANISOU 5017 O LYS E 163 8473 16475 8262 -2631 1801 -307 O +ATOM 5018 CB LYS E 163 36.274 51.834 -0.980 1.00 92.30 C +ANISOU 5018 CB LYS E 163 8807 16958 9306 -2266 1698 -420 C +ATOM 5019 CG LYS E 163 37.160 51.051 -0.020 1.00 92.56 C +ANISOU 5019 CG LYS E 163 8563 17146 9461 -1944 1714 -566 C +ATOM 5020 CD LYS E 163 37.696 49.802 -0.710 1.00 95.50 C +ANISOU 5020 CD LYS E 163 8782 17746 9756 -1577 1866 -781 C +ATOM 5021 CE LYS E 163 38.202 48.768 0.282 1.00 95.58 C +ANISOU 5021 CE LYS E 163 8612 17773 9932 -1141 1871 -929 C +ATOM 5022 NZ LYS E 163 38.579 47.487 -0.387 1.00 97.34 N +ANISOU 5022 NZ LYS E 163 8763 18117 10105 -746 2019 -1142 N +ATOM 5023 N GLY E 164 35.804 54.435 -3.183 1.00 86.23 N +ANISOU 5023 N GLY E 164 8455 16155 8155 -3219 1593 65 N +ATOM 5024 CA GLY E 164 34.980 54.983 -4.248 1.00 88.88 C +ANISOU 5024 CA GLY E 164 9055 16359 8357 -3430 1559 222 C +ATOM 5025 C GLY E 164 33.604 54.363 -4.439 1.00 90.32 C +ANISOU 5025 C GLY E 164 9455 16279 8583 -3231 1559 183 C +ATOM 5026 O GLY E 164 33.125 54.243 -5.567 1.00 97.15 O +ANISOU 5026 O GLY E 164 10437 17192 9284 -3276 1585 207 O +ATOM 5027 N GLY E 165 32.962 53.973 -3.341 1.00 82.20 N +ANISOU 5027 N GLY E 165 8480 14991 7761 -3026 1523 124 N +ATOM 5028 CA GLY E 165 31.644 53.367 -3.405 1.00 80.44 C +ANISOU 5028 CA GLY E 165 8459 14531 7575 -2843 1515 83 C +ATOM 5029 C GLY E 165 31.429 52.329 -2.320 1.00 80.38 C +ANISOU 5029 C GLY E 165 8412 14320 7809 -2427 1489 -134 C +ATOM 5030 O GLY E 165 32.176 51.354 -2.226 1.00 87.67 O +ANISOU 5030 O GLY E 165 9101 15498 8712 -2191 1626 -354 O +ATOM 5031 N LEU E 166 30.402 52.534 -1.500 1.00 68.11 N +ANISOU 5031 N LEU E 166 7094 12303 6480 -2323 1312 -66 N +ATOM 5032 CA LEU E 166 30.142 51.651 -0.369 1.00 61.53 C +ANISOU 5032 CA LEU E 166 6252 11245 5880 -1965 1263 -234 C +ATOM 5033 C LEU E 166 28.653 51.416 -0.126 1.00 59.99 C +ANISOU 5033 C LEU E 166 6342 10629 5821 -1811 1124 -211 C +ATOM 5034 O LEU E 166 27.856 52.354 -0.108 1.00 58.39 O +ANISOU 5034 O LEU E 166 6341 10183 5662 -1965 994 -14 O +ATOM 5035 CB LEU E 166 30.778 52.219 0.904 1.00 59.39 C +ANISOU 5035 CB LEU E 166 5873 10916 5777 -2011 1189 -188 C +ATOM 5036 CG LEU E 166 32.304 52.191 1.008 1.00 69.74 C +ANISOU 5036 CG LEU E 166 6830 12672 6996 -2087 1312 -251 C +ATOM 5037 CD1 LEU E 166 32.770 52.908 2.266 1.00 73.89 C +ANISOU 5037 CD1 LEU E 166 7295 13111 7670 -2203 1201 -176 C +ATOM 5038 CD2 LEU E 166 32.812 50.758 0.984 1.00 71.27 C +ANISOU 5038 CD2 LEU E 166 6812 13089 7180 -1710 1447 -501 C +ATOM 5039 N LEU E 167 28.290 50.151 0.058 1.00 54.95 N +ANISOU 5039 N LEU E 167 5720 9916 5244 -1504 1154 -412 N +ATOM 5040 CA LEU E 167 26.961 49.784 0.532 1.00 54.14 C +ANISOU 5040 CA LEU E 167 5840 9443 5288 -1346 1024 -412 C +ATOM 5041 C LEU E 167 27.036 49.342 1.988 1.00 53.45 C +ANISOU 5041 C LEU E 167 5716 9156 5436 -1114 961 -496 C +ATOM 5042 O LEU E 167 27.693 48.352 2.309 1.00 55.83 O +ANISOU 5042 O LEU E 167 5886 9561 5767 -893 1046 -674 O +ATOM 5043 CB LEU E 167 26.356 48.672 -0.328 1.00 58.56 C +ANISOU 5043 CB LEU E 167 6496 10030 5725 -1224 1084 -563 C +ATOM 5044 CG LEU E 167 25.958 49.041 -1.757 1.00 63.02 C +ANISOU 5044 CG LEU E 167 7144 10758 6041 -1452 1111 -471 C +ATOM 5045 CD1 LEU E 167 25.438 47.822 -2.499 1.00 67.32 C +ANISOU 5045 CD1 LEU E 167 7787 11336 6457 -1334 1175 -667 C +ATOM 5046 CD2 LEU E 167 24.915 50.144 -1.747 1.00 61.26 C +ANISOU 5046 CD2 LEU E 167 7092 10319 5864 -1620 939 -206 C +ATOM 5047 N VAL E 168 26.364 50.075 2.869 1.00 51.81 N +ANISOU 5047 N VAL E 168 5631 8667 5389 -1151 816 -364 N +ATOM 5048 CA VAL E 168 26.351 49.725 4.283 1.00 48.73 C +ANISOU 5048 CA VAL E 168 5222 8093 5202 -958 747 -428 C +ATOM 5049 C VAL E 168 24.984 49.206 4.709 1.00 50.50 C +ANISOU 5049 C VAL E 168 5637 8017 5534 -804 649 -441 C +ATOM 5050 O VAL E 168 23.987 49.926 4.654 1.00 48.68 O +ANISOU 5050 O VAL E 168 5557 7609 5329 -893 552 -302 O +ATOM 5051 CB VAL E 168 26.729 50.925 5.170 1.00 48.33 C +ANISOU 5051 CB VAL E 168 5151 7968 5246 -1117 667 -302 C +ATOM 5052 CG1 VAL E 168 26.482 50.600 6.636 1.00 36.84 C +ANISOU 5052 CG1 VAL E 168 3714 6305 3980 -931 579 -358 C +ATOM 5053 CG2 VAL E 168 28.181 51.312 4.946 1.00 52.73 C +ANISOU 5053 CG2 VAL E 168 5477 8859 5698 -1284 759 -302 C +ATOM 5054 N GLY E 169 24.947 47.948 5.131 1.00 49.03 N +ANISOU 5054 N GLY E 169 5443 7783 5405 -568 674 -599 N +ATOM 5055 CA GLY E 169 23.731 47.367 5.661 1.00 41.82 C +ANISOU 5055 CA GLY E 169 4692 6609 4588 -446 584 -614 C +ATOM 5056 C GLY E 169 23.541 47.739 7.117 1.00 44.77 C +ANISOU 5056 C GLY E 169 5072 6799 5138 -383 482 -562 C +ATOM 5057 O GLY E 169 24.326 47.343 7.978 1.00 40.25 O +ANISOU 5057 O GLY E 169 4393 6259 4642 -261 495 -632 O +ATOM 5058 N LEU E 170 22.489 48.503 7.389 1.00 43.83 N +ANISOU 5058 N LEU E 170 5074 6507 5074 -455 383 -437 N +ATOM 5059 CA LEU E 170 22.188 48.948 8.744 1.00 36.74 C +ANISOU 5059 CA LEU E 170 4203 5434 4322 -404 295 -396 C +ATOM 5060 C LEU E 170 21.518 47.847 9.560 1.00 39.07 C +ANISOU 5060 C LEU E 170 4551 5598 4695 -226 257 -475 C +ATOM 5061 O LEU E 170 21.000 46.882 8.998 1.00 42.49 O +ANISOU 5061 O LEU E 170 5046 6023 5074 -173 278 -536 O +ATOM 5062 CB LEU E 170 21.289 50.187 8.699 1.00 35.51 C +ANISOU 5062 CB LEU E 170 4164 5140 4190 -511 217 -243 C +ATOM 5063 CG LEU E 170 21.886 51.464 8.107 1.00 35.93 C +ANISOU 5063 CG LEU E 170 4221 5248 4184 -713 230 -128 C +ATOM 5064 CD1 LEU E 170 20.832 52.559 8.033 1.00 41.21 C +ANISOU 5064 CD1 LEU E 170 5047 5724 4886 -755 145 28 C +ATOM 5065 CD2 LEU E 170 23.083 51.928 8.919 1.00 36.70 C +ANISOU 5065 CD2 LEU E 170 4223 5395 4326 -785 244 -162 C +ATOM 5066 N PRO E 171 21.533 47.987 10.896 1.00 42.29 N +ANISOU 5066 N PRO E 171 4950 5905 5214 -157 200 -474 N +ATOM 5067 CA PRO E 171 20.733 47.129 11.779 1.00 42.56 C +ANISOU 5067 CA PRO E 171 5053 5804 5314 -28 149 -508 C +ATOM 5068 C PRO E 171 19.232 47.280 11.525 1.00 42.19 C +ANISOU 5068 C PRO E 171 5116 5658 5255 -62 98 -438 C +ATOM 5069 O PRO E 171 18.825 48.171 10.778 1.00 42.41 O +ANISOU 5069 O PRO E 171 5169 5704 5242 -159 88 -349 O +ATOM 5070 CB PRO E 171 21.108 47.624 13.177 1.00 35.71 C +ANISOU 5070 CB PRO E 171 4143 4892 4535 -1 99 -497 C +ATOM 5071 CG PRO E 171 22.471 48.192 13.017 1.00 34.69 C +ANISOU 5071 CG PRO E 171 3884 4915 4381 -78 139 -507 C +ATOM 5072 CD PRO E 171 22.481 48.821 11.656 1.00 37.99 C +ANISOU 5072 CD PRO E 171 4315 5405 4713 -218 187 -456 C +ATOM 5073 N ARG E 172 18.426 46.420 12.145 1.00 44.38 N +ANISOU 5073 N ARG E 172 5451 5850 5561 12 61 -463 N +ATOM 5074 CA ARG E 172 17.001 46.324 11.826 1.00 46.56 C +ANISOU 5074 CA ARG E 172 5794 6097 5800 -29 16 -404 C +ATOM 5075 C ARG E 172 16.224 47.626 12.034 1.00 40.44 C +ANISOU 5075 C ARG E 172 5012 5297 5058 -51 -32 -288 C +ATOM 5076 O ARG E 172 16.338 48.274 13.075 1.00 43.17 O +ANISOU 5076 O ARG E 172 5347 5574 5483 -3 -50 -277 O +ATOM 5077 CB ARG E 172 16.349 45.207 12.648 1.00 48.31 C +ANISOU 5077 CB ARG E 172 6070 6244 6042 22 -16 -443 C +ATOM 5078 CG ARG E 172 16.428 45.386 14.155 1.00 47.92 C +ANISOU 5078 CG ARG E 172 5996 6130 6080 98 -49 -434 C +ATOM 5079 CD ARG E 172 15.892 44.161 14.869 1.00 46.73 C +ANISOU 5079 CD ARG E 172 5914 5914 5926 123 -76 -457 C +ATOM 5080 NE ARG E 172 16.795 43.022 14.747 1.00 47.64 N +ANISOU 5080 NE ARG E 172 6085 5976 6039 189 -47 -540 N +ATOM 5081 CZ ARG E 172 16.415 41.815 14.345 1.00 45.35 C +ANISOU 5081 CZ ARG E 172 5919 5612 5699 164 -44 -584 C +ATOM 5082 NH1 ARG E 172 15.148 41.595 14.021 1.00 47.43 N +ANISOU 5082 NH1 ARG E 172 6240 5883 5898 34 -76 -547 N +ATOM 5083 NH2 ARG E 172 17.299 40.831 14.261 1.00 47.16 N +ANISOU 5083 NH2 ARG E 172 6220 5762 5937 270 -10 -667 N +ATOM 5084 N TYR E 173 15.450 47.989 11.012 1.00 37.10 N +ANISOU 5084 N TYR E 173 4604 4931 4563 -114 -52 -204 N +ATOM 5085 CA TYR E 173 14.539 49.140 11.016 1.00 40.00 C +ANISOU 5085 CA TYR E 173 4973 5275 4952 -93 -103 -74 C +ATOM 5086 C TYR E 173 15.065 50.368 11.754 1.00 44.74 C +ANISOU 5086 C TYR E 173 5597 5758 5646 -53 -101 -49 C +ATOM 5087 O TYR E 173 14.450 50.853 12.703 1.00 43.58 O +ANISOU 5087 O TYR E 173 5461 5531 5566 40 -127 -35 O +ATOM 5088 CB TYR E 173 13.158 48.754 11.564 1.00 37.44 C +ANISOU 5088 CB TYR E 173 4621 4975 4630 -36 -152 -44 C +ATOM 5089 CG TYR E 173 13.114 47.829 12.760 1.00 35.79 C +ANISOU 5089 CG TYR E 173 4408 4726 4463 5 -145 -135 C +ATOM 5090 CD1 TYR E 173 13.189 48.328 14.054 1.00 39.24 C +ANISOU 5090 CD1 TYR E 173 4837 5087 4986 94 -144 -154 C +ATOM 5091 CD2 TYR E 173 12.939 46.461 12.595 1.00 40.33 C +ANISOU 5091 CD2 TYR E 173 5011 5335 4978 -58 -144 -198 C +ATOM 5092 CE1 TYR E 173 13.126 47.486 15.148 1.00 42.12 C +ANISOU 5092 CE1 TYR E 173 5201 5436 5368 118 -145 -215 C +ATOM 5093 CE2 TYR E 173 12.873 45.612 13.682 1.00 43.91 C +ANISOU 5093 CE2 TYR E 173 5486 5736 5462 -32 -148 -253 C +ATOM 5094 CZ TYR E 173 12.967 46.129 14.956 1.00 45.99 C +ANISOU 5094 CZ TYR E 173 5720 5950 5803 55 -150 -251 C +ATOM 5095 OH TYR E 173 12.902 45.285 16.040 1.00 46.12 O +ANISOU 5095 OH TYR E 173 5761 5933 5830 67 -159 -286 O +ATOM 5096 N MET E 174 16.223 50.849 11.323 1.00 43.65 N +ANISOU 5096 N MET E 174 5469 5620 5496 -139 -66 -55 N +ATOM 5097 CA MET E 174 16.736 52.119 11.808 1.00 35.48 C +ANISOU 5097 CA MET E 174 4490 4467 4524 -165 -71 -19 C +ATOM 5098 C MET E 174 17.139 52.982 10.621 1.00 36.03 C +ANISOU 5098 C MET E 174 4608 4552 4530 -295 -65 92 C +ATOM 5099 O MET E 174 17.509 52.466 9.566 1.00 41.31 O +ANISOU 5099 O MET E 174 5231 5367 5099 -382 -31 95 O +ATOM 5100 CB MET E 174 17.917 51.912 12.757 1.00 36.24 C +ANISOU 5100 CB MET E 174 4541 4565 4662 -190 -42 -133 C +ATOM 5101 CG MET E 174 19.166 51.357 12.097 1.00 39.87 C +ANISOU 5101 CG MET E 174 4912 5178 5059 -282 14 -184 C +ATOM 5102 SD MET E 174 20.621 51.615 13.127 1.00 38.49 S +ANISOU 5102 SD MET E 174 4660 5044 4922 -341 26 -264 S +ATOM 5103 CE MET E 174 20.787 53.398 13.042 1.00 37.72 C +ANISOU 5103 CE MET E 174 4686 4811 4833 -512 2 -168 C +ATOM 5104 N GLU E 175 17.057 54.295 10.792 1.00 38.07 N +ANISOU 5104 N GLU E 175 4980 4650 4835 -313 -94 181 N +ATOM 5105 CA GLU E 175 17.443 55.223 9.739 1.00 41.20 C +ANISOU 5105 CA GLU E 175 5458 5027 5169 -459 -98 316 C +ATOM 5106 C GLU E 175 18.567 56.123 10.226 1.00 42.20 C +ANISOU 5106 C GLU E 175 5658 5049 5328 -610 -81 296 C +ATOM 5107 O GLU E 175 18.778 56.267 11.430 1.00 37.05 O +ANISOU 5107 O GLU E 175 5025 4297 4757 -569 -84 195 O +ATOM 5108 CB GLU E 175 16.252 56.074 9.297 1.00 47.01 C +ANISOU 5108 CB GLU E 175 6307 5639 5917 -360 -165 485 C +ATOM 5109 CG GLU E 175 15.763 57.043 10.363 1.00 58.31 C +ANISOU 5109 CG GLU E 175 7870 6815 7471 -223 -195 486 C +ATOM 5110 CD GLU E 175 14.630 57.925 9.877 1.00 71.94 C +ANISOU 5110 CD GLU E 175 9704 8418 9213 -76 -258 665 C +ATOM 5111 OE1 GLU E 175 14.497 58.102 8.648 1.00 81.44 O +ANISOU 5111 OE1 GLU E 175 10921 9699 10325 -148 -291 826 O +ATOM 5112 OE2 GLU E 175 13.874 58.444 10.725 1.00 71.53 O +ANISOU 5112 OE2 GLU E 175 9719 8206 9255 125 -274 649 O +ATOM 5113 N VAL E 176 19.294 56.725 9.292 1.00 48.29 N +ANISOU 5113 N VAL E 176 6470 5862 6015 -813 -65 395 N +ATOM 5114 CA VAL E 176 20.282 57.726 9.663 1.00 52.58 C +ANISOU 5114 CA VAL E 176 7108 6299 6571 -1012 -60 405 C +ATOM 5115 C VAL E 176 20.062 59.043 8.929 1.00 56.89 C +ANISOU 5115 C VAL E 176 7874 6650 7091 -1130 -103 602 C +ATOM 5116 O VAL E 176 19.541 59.076 7.814 1.00 59.69 O +ANISOU 5116 O VAL E 176 8249 7061 7370 -1124 -121 748 O +ATOM 5117 CB VAL E 176 21.721 57.234 9.394 1.00 52.49 C +ANISOU 5117 CB VAL E 176 6918 6557 6467 -1213 10 331 C +ATOM 5118 CG1 VAL E 176 22.045 56.028 10.263 1.00 46.72 C +ANISOU 5118 CG1 VAL E 176 5999 5974 5778 -1074 40 149 C +ATOM 5119 CG2 VAL E 176 21.912 56.915 7.918 1.00 56.69 C +ANISOU 5119 CG2 VAL E 176 7378 7307 6855 -1315 56 419 C +ATOM 5120 N GLU E 177 20.458 60.128 9.583 1.00 60.67 N +ANISOU 5120 N GLU E 177 8536 6891 7626 -1246 -126 609 N +ATOM 5121 CA GLU E 177 20.461 61.451 8.980 1.00 64.92 C +ANISOU 5121 CA GLU E 177 9333 7193 8141 -1401 -167 796 C +ATOM 5122 C GLU E 177 21.841 62.055 9.174 1.00 67.45 C +ANISOU 5122 C GLU E 177 9697 7524 8406 -1757 -143 773 C +ATOM 5123 O GLU E 177 22.445 61.904 10.236 1.00 68.56 O +ANISOU 5123 O GLU E 177 9774 7688 8586 -1808 -128 605 O +ATOM 5124 CB GLU E 177 19.392 62.352 9.599 1.00 73.79 C +ANISOU 5124 CB GLU E 177 10713 7932 9391 -1178 -228 837 C +ATOM 5125 CG GLU E 177 17.965 61.998 9.218 1.00 84.31 C +ANISOU 5125 CG GLU E 177 12004 9274 10756 -853 -265 921 C +ATOM 5126 CD GLU E 177 16.944 62.710 10.084 1.00 91.88 C +ANISOU 5126 CD GLU E 177 13147 9915 11848 -570 -300 905 C +ATOM 5127 OE1 GLU E 177 17.253 63.814 10.582 1.00 94.52 O +ANISOU 5127 OE1 GLU E 177 13751 9927 12237 -645 -312 901 O +ATOM 5128 OE2 GLU E 177 15.833 62.169 10.268 1.00 92.21 O +ANISOU 5128 OE2 GLU E 177 13068 10038 11930 -282 -312 888 O +ATOM 5129 N ILE E 178 22.348 62.733 8.153 1.00 67.21 N +ANISOU 5129 N ILE E 178 9766 7504 8266 -2028 -144 950 N +ATOM 5130 CA ILE E 178 23.658 63.354 8.262 1.00 65.61 C +ANISOU 5130 CA ILE E 178 9598 7343 7987 -2420 -124 949 C +ATOM 5131 C ILE E 178 23.570 64.874 8.203 1.00 68.74 C +ANISOU 5131 C ILE E 178 10395 7321 8403 -2607 -189 1108 C +ATOM 5132 O ILE E 178 23.181 65.448 7.185 1.00 74.86 O +ANISOU 5132 O ILE E 178 11341 7978 9124 -2653 -222 1333 O +ATOM 5133 CB ILE E 178 24.611 62.859 7.160 1.00 60.92 C +ANISOU 5133 CB ILE E 178 8764 7169 7212 -2669 -51 1010 C +ATOM 5134 CG1 ILE E 178 24.852 61.356 7.304 1.00 55.20 C +ANISOU 5134 CG1 ILE E 178 7673 6827 6473 -2483 22 825 C +ATOM 5135 CG2 ILE E 178 25.931 63.605 7.225 1.00 62.69 C +ANISOU 5135 CG2 ILE E 178 9013 7468 7340 -3113 -33 1039 C +ATOM 5136 CD1 ILE E 178 25.614 60.751 6.151 1.00 56.51 C +ANISOU 5136 CD1 ILE E 178 7602 7410 6459 -2639 113 859 C +ATOM 5137 N LYS E 179 23.933 65.518 9.307 1.00 69.43 N +ANISOU 5137 N LYS E 179 10650 7173 8559 -2718 -211 991 N +ATOM 5138 CA LYS E 179 23.983 66.972 9.368 1.00 76.93 C +ANISOU 5138 CA LYS E 179 12024 7682 9525 -2933 -269 1108 C +ATOM 5139 C LYS E 179 25.395 67.447 9.063 1.00 80.60 C +ANISOU 5139 C LYS E 179 12480 8306 9839 -3472 -251 1162 C +ATOM 5140 O LYS E 179 26.246 66.661 8.647 1.00 84.70 O +ANISOU 5140 O LYS E 179 12641 9303 10237 -3633 -188 1134 O +ATOM 5141 CB LYS E 179 23.540 67.491 10.739 1.00 79.74 C +ANISOU 5141 CB LYS E 179 12619 7660 10020 -2773 -300 934 C +ATOM 5142 CG LYS E 179 22.131 67.105 11.161 1.00 79.56 C +ANISOU 5142 CG LYS E 179 12597 7494 10137 -2250 -309 872 C +ATOM 5143 CD LYS E 179 21.106 67.599 10.152 1.00 83.28 C +ANISOU 5143 CD LYS E 179 13258 7747 10636 -2039 -354 1117 C +ATOM 5144 CE LYS E 179 19.692 67.514 10.706 1.00 84.37 C +ANISOU 5144 CE LYS E 179 13447 7694 10915 -1537 -369 1060 C +ATOM 5145 NZ LYS E 179 19.349 66.149 11.184 1.00 83.42 N +ANISOU 5145 NZ LYS E 179 12942 7941 10813 -1306 -324 890 N +ATOM 5146 N LYS E 180 25.637 68.736 9.268 1.00 82.74 N +ANISOU 5146 N LYS E 180 13149 8178 10109 -3751 -303 1237 N +ATOM 5147 CA LYS E 180 26.930 69.327 8.956 1.00 88.15 C +ANISOU 5147 CA LYS E 180 13812 9042 10639 -4230 -294 1286 C +ATOM 5148 C LYS E 180 28.049 68.754 9.824 1.00 88.05 C +ANISOU 5148 C LYS E 180 13476 9415 10565 -4440 -256 1068 C +ATOM 5149 O LYS E 180 29.187 68.624 9.373 1.00 92.10 O +ANISOU 5149 O LYS E 180 13726 10350 10916 -4736 -218 1092 O +ATOM 5150 CB LYS E 180 26.871 70.848 9.114 1.00 91.94 C +ANISOU 5150 CB LYS E 180 14729 9057 11148 -4314 -358 1341 C +ATOM 5151 CG LYS E 180 28.169 71.551 8.756 1.00 96.30 C +ANISOU 5151 CG LYS E 180 15260 9804 11524 -4773 -359 1391 C +ATOM 5152 CD LYS E 180 27.985 73.052 8.627 1.00 99.26 C +ANISOU 5152 CD LYS E 180 16100 9694 11919 -4856 -424 1500 C +ATOM 5153 CE LYS E 180 29.270 73.714 8.158 1.00101.45 C +ANISOU 5153 CE LYS E 180 16360 10189 11998 -5344 -430 1574 C +ATOM 5154 NZ LYS E 180 29.080 75.161 7.868 1.00106.87 N +ANISOU 5154 NZ LYS E 180 17513 10398 12693 -5446 -495 1713 N +ATOM 5155 N ASP E 181 27.722 68.397 11.061 1.00 84.44 N +ANISOU 5155 N ASP E 181 13020 8841 10223 -4264 -270 858 N +ATOM 5156 CA ASP E 181 28.751 68.017 12.022 1.00 88.10 C +ANISOU 5156 CA ASP E 181 13215 9632 10627 -4446 -261 658 C +ATOM 5157 C ASP E 181 28.452 66.715 12.762 1.00 86.25 C +ANISOU 5157 C ASP E 181 12647 9653 10471 -4086 -234 471 C +ATOM 5158 O ASP E 181 29.266 66.258 13.564 1.00 87.04 O +ANISOU 5158 O ASP E 181 12492 10057 10521 -4203 -234 321 O +ATOM 5159 CB ASP E 181 28.949 69.142 13.040 1.00 95.56 C +ANISOU 5159 CB ASP E 181 14476 10246 11587 -4560 -319 541 C +ATOM 5160 CG ASP E 181 27.675 69.476 13.793 1.00100.21 C +ANISOU 5160 CG ASP E 181 15413 10315 12349 -4207 -348 447 C +ATOM 5161 OD1 ASP E 181 26.578 69.211 13.255 1.00101.69 O +ANISOU 5161 OD1 ASP E 181 15699 10301 12639 -3899 -341 548 O +ATOM 5162 OD2 ASP E 181 27.768 70.001 14.922 1.00101.70 O +ANISOU 5162 OD2 ASP E 181 15764 10320 12556 -4225 -375 271 O +ATOM 5163 N LYS E 182 27.294 66.117 12.502 1.00 83.62 N +ANISOU 5163 N LYS E 182 12296 9226 10248 -3622 -217 486 N +ATOM 5164 CA LYS E 182 26.903 64.919 13.240 1.00 78.49 C +ANISOU 5164 CA LYS E 182 11369 8780 9675 -3246 -196 315 C +ATOM 5165 C LYS E 182 26.048 63.954 12.426 1.00 70.09 C +ANISOU 5165 C LYS E 182 10133 7846 8651 -2875 -155 381 C +ATOM 5166 O LYS E 182 25.401 64.340 11.453 1.00 66.86 O +ANISOU 5166 O LYS E 182 9887 7272 8246 -2817 -160 550 O +ATOM 5167 CB LYS E 182 26.158 65.309 14.519 1.00 81.32 C +ANISOU 5167 CB LYS E 182 11973 8777 10147 -3048 -238 161 C +ATOM 5168 CG LYS E 182 24.856 66.055 14.285 1.00 85.01 C +ANISOU 5168 CG LYS E 182 12810 8765 10726 -2792 -258 245 C +ATOM 5169 CD LYS E 182 24.206 66.439 15.604 1.00 87.62 C +ANISOU 5169 CD LYS E 182 13364 8780 11149 -2598 -278 63 C +ATOM 5170 CE LYS E 182 23.006 67.346 15.390 1.00 90.47 C +ANISOU 5170 CE LYS E 182 14110 8649 11615 -2344 -293 146 C +ATOM 5171 NZ LYS E 182 22.225 67.530 16.644 1.00 91.21 N +ANISOU 5171 NZ LYS E 182 14361 8500 11794 -2064 -285 -53 N +ATOM 5172 N ILE E 183 26.061 62.691 12.841 1.00 65.80 N +ANISOU 5172 N ILE E 183 9273 7600 8129 -2639 -124 252 N +ATOM 5173 CA ILE E 183 25.172 61.676 12.290 1.00 60.74 C +ANISOU 5173 CA ILE E 183 8491 7057 7531 -2286 -93 271 C +ATOM 5174 C ILE E 183 24.084 61.341 13.301 1.00 61.76 C +ANISOU 5174 C ILE E 183 8687 6991 7787 -1939 -120 157 C +ATOM 5175 O ILE E 183 24.374 61.078 14.467 1.00 61.44 O +ANISOU 5175 O ILE E 183 8579 6993 7771 -1915 -134 5 O +ATOM 5176 CB ILE E 183 25.932 60.388 11.922 1.00 52.84 C +ANISOU 5176 CB ILE E 183 7104 6518 6453 -2258 -28 213 C +ATOM 5177 CG1 ILE E 183 27.162 60.712 11.075 1.00 53.08 C +ANISOU 5177 CG1 ILE E 183 7013 6819 6335 -2621 16 300 C +ATOM 5178 CG2 ILE E 183 25.014 59.413 11.197 1.00 46.51 C +ANISOU 5178 CG2 ILE E 183 6214 5784 5672 -1954 3 238 C +ATOM 5179 CD1 ILE E 183 28.057 59.521 10.833 1.00 47.73 C +ANISOU 5179 CD1 ILE E 183 5944 6613 5578 -2578 92 217 C +ATOM 5180 N ILE E 184 22.832 61.351 12.857 1.00 63.51 N +ANISOU 5180 N ILE E 184 9025 7033 8072 -1679 -131 237 N +ATOM 5181 CA ILE E 184 21.722 61.027 13.743 1.00 60.72 C +ANISOU 5181 CA ILE E 184 8708 6541 7823 -1352 -146 142 C +ATOM 5182 C ILE E 184 21.080 59.703 13.350 1.00 57.13 C +ANISOU 5182 C ILE E 184 8021 6315 7369 -1108 -122 136 C +ATOM 5183 O ILE E 184 20.605 59.544 12.228 1.00 56.54 O +ANISOU 5183 O ILE E 184 7929 6292 7260 -1059 -119 264 O +ATOM 5184 CB ILE E 184 20.646 62.129 13.731 1.00 60.19 C +ANISOU 5184 CB ILE E 184 8956 6082 7833 -1209 -182 226 C +ATOM 5185 CG1 ILE E 184 21.226 63.449 14.241 1.00 64.46 C +ANISOU 5185 CG1 ILE E 184 9793 6322 8376 -1448 -206 203 C +ATOM 5186 CG2 ILE E 184 19.443 61.711 14.564 1.00 55.68 C +ANISOU 5186 CG2 ILE E 184 8364 5443 7347 -854 -180 131 C +ATOM 5187 CD1 ILE E 184 20.231 64.588 14.251 1.00 66.43 C +ANISOU 5187 CD1 ILE E 184 10395 6137 8709 -1277 -235 277 C +ATOM 5188 N GLY E 185 21.064 58.758 14.283 1.00 53.29 N +ANISOU 5188 N GLY E 185 7375 5962 6910 -973 -112 -7 N +ATOM 5189 CA GLY E 185 20.453 57.466 14.043 1.00 47.34 C +ANISOU 5189 CA GLY E 185 6440 5388 6158 -766 -94 -26 C +ATOM 5190 C GLY E 185 19.187 57.331 14.860 1.00 48.23 C +ANISOU 5190 C GLY E 185 6610 5370 6346 -513 -113 -71 C +ATOM 5191 O GLY E 185 19.165 57.669 16.043 1.00 50.55 O +ANISOU 5191 O GLY E 185 6974 5556 6678 -482 -123 -172 O +ATOM 5192 N LYS E 186 18.128 56.838 14.229 1.00 40.96 N +ANISOU 5192 N LYS E 186 5648 4490 5426 -349 -117 1 N +ATOM 5193 CA LYS E 186 16.839 56.717 14.895 1.00 44.88 C +ANISOU 5193 CA LYS E 186 6161 4916 5976 -116 -130 -21 C +ATOM 5194 C LYS E 186 16.182 55.378 14.584 1.00 47.21 C +ANISOU 5194 C LYS E 186 6286 5413 6237 -14 -126 -21 C +ATOM 5195 O LYS E 186 16.205 54.918 13.444 1.00 50.18 O +ANISOU 5195 O LYS E 186 6602 5910 6554 -69 -125 52 O +ATOM 5196 CB LYS E 186 15.928 57.872 14.478 1.00 49.60 C +ANISOU 5196 CB LYS E 186 6930 5306 6611 -7 -156 100 C +ATOM 5197 CG LYS E 186 16.193 59.161 15.240 1.00 54.38 C +ANISOU 5197 CG LYS E 186 7762 5631 7270 -32 -157 54 C +ATOM 5198 CD LYS E 186 15.640 60.372 14.505 1.00 58.80 C +ANISOU 5198 CD LYS E 186 8533 5950 7860 35 -187 211 C +ATOM 5199 CE LYS E 186 14.143 60.514 14.705 1.00 63.15 C +ANISOU 5199 CE LYS E 186 9082 6450 8461 365 -195 250 C +ATOM 5200 NZ LYS E 186 13.654 61.833 14.218 1.00 70.93 N +ANISOU 5200 NZ LYS E 186 10311 7144 9494 481 -228 393 N +ATOM 5201 N SER E 187 15.601 54.753 15.603 1.00 41.40 N +ANISOU 5201 N SER E 187 5490 4717 5524 110 -123 -106 N +ATOM 5202 CA SER E 187 14.800 53.555 15.391 1.00 41.20 C +ANISOU 5202 CA SER E 187 5340 4850 5463 186 -127 -97 C +ATOM 5203 C SER E 187 13.554 53.898 14.585 1.00 45.57 C +ANISOU 5203 C SER E 187 5894 5419 6001 284 -154 31 C +ATOM 5204 O SER E 187 12.936 54.940 14.799 1.00 52.99 O +ANISOU 5204 O SER E 187 6915 6233 6985 403 -164 81 O +ATOM 5205 CB SER E 187 14.414 52.920 16.727 1.00 43.44 C +ANISOU 5205 CB SER E 187 5573 5170 5761 271 -120 -193 C +ATOM 5206 OG SER E 187 13.524 51.832 16.539 1.00 37.63 O +ANISOU 5206 OG SER E 187 4742 4571 4983 312 -129 -169 O +ATOM 5207 N LEU E 188 13.188 53.018 13.658 1.00 48.21 N +ANISOU 5207 N LEU E 188 6142 5910 6265 242 -168 80 N +ATOM 5208 CA LEU E 188 11.994 53.222 12.845 1.00 45.38 C +ANISOU 5208 CA LEU E 188 5747 5631 5865 313 -211 214 C +ATOM 5209 C LEU E 188 10.761 52.627 13.512 1.00 48.82 C +ANISOU 5209 C LEU E 188 6072 6186 6291 424 -222 200 C +ATOM 5210 O LEU E 188 9.645 52.785 13.020 1.00 57.86 O +ANISOU 5210 O LEU E 188 7143 7444 7397 503 -263 311 O +ATOM 5211 CB LEU E 188 12.181 52.611 11.455 1.00 45.77 C +ANISOU 5211 CB LEU E 188 5763 5819 5809 174 -225 270 C +ATOM 5212 CG LEU E 188 13.206 53.303 10.554 1.00 47.17 C +ANISOU 5212 CG LEU E 188 6025 5938 5960 51 -213 326 C +ATOM 5213 CD1 LEU E 188 13.368 52.543 9.248 1.00 43.11 C +ANISOU 5213 CD1 LEU E 188 5467 5601 5313 -86 -210 349 C +ATOM 5214 CD2 LEU E 188 12.809 54.748 10.295 1.00 44.53 C +ANISOU 5214 CD2 LEU E 188 5796 5460 5662 128 -254 478 C +ATOM 5215 N ASP E 189 10.971 51.936 14.629 1.00 44.86 N +ANISOU 5215 N ASP E 189 5545 5688 5810 420 -191 79 N +ATOM 5216 CA ASP E 189 9.880 51.302 15.360 1.00 45.56 C +ANISOU 5216 CA ASP E 189 5529 5910 5870 482 -193 65 C +ATOM 5217 C ASP E 189 9.396 52.199 16.497 1.00 42.73 C +ANISOU 5217 C ASP E 189 5179 5487 5570 657 -163 34 C +ATOM 5218 O ASP E 189 10.069 52.326 17.520 1.00 43.21 O +ANISOU 5218 O ASP E 189 5306 5444 5668 656 -130 -74 O +ATOM 5219 CB ASP E 189 10.322 49.942 15.909 1.00 46.88 C +ANISOU 5219 CB ASP E 189 5684 6121 6007 367 -180 -31 C +ATOM 5220 CG ASP E 189 9.156 49.095 16.393 1.00 48.95 C +ANISOU 5220 CG ASP E 189 5843 6549 6205 354 -191 -15 C +ATOM 5221 OD1 ASP E 189 8.009 49.590 16.388 1.00 46.65 O +ANISOU 5221 OD1 ASP E 189 5452 6379 5892 449 -201 59 O +ATOM 5222 OD2 ASP E 189 9.388 47.931 16.785 1.00 49.41 O +ANISOU 5222 OD2 ASP E 189 5921 6624 6230 250 -190 -69 O +ATOM 5223 N PRO E 190 8.219 52.822 16.321 1.00 42.76 N +ANISOU 5223 N PRO E 190 5109 5568 5568 817 -175 124 N +ATOM 5224 CA PRO E 190 7.640 53.717 17.331 1.00 43.28 C +ANISOU 5224 CA PRO E 190 5183 5581 5680 1031 -131 82 C +ATOM 5225 C PRO E 190 7.280 52.979 18.616 1.00 39.59 C +ANISOU 5225 C PRO E 190 4627 5246 5170 1023 -85 -21 C +ATOM 5226 O PRO E 190 7.105 53.606 19.660 1.00 41.79 O +ANISOU 5226 O PRO E 190 4939 5469 5470 1162 -29 -108 O +ATOM 5227 CB PRO E 190 6.382 54.260 16.645 1.00 45.52 C +ANISOU 5227 CB PRO E 190 5354 5994 5947 1213 -162 228 C +ATOM 5228 CG PRO E 190 6.037 53.242 15.621 1.00 46.60 C +ANISOU 5228 CG PRO E 190 5362 6352 5990 1044 -224 324 C +ATOM 5229 CD PRO E 190 7.335 52.657 15.155 1.00 46.30 C +ANISOU 5229 CD PRO E 190 5448 6194 5951 815 -232 269 C +ATOM 5230 N ARG E 191 7.170 51.657 18.532 1.00 39.66 N +ANISOU 5230 N ARG E 191 4543 5420 5106 852 -107 -12 N +ATOM 5231 CA ARG E 191 6.857 50.838 19.696 1.00 43.46 C +ANISOU 5231 CA ARG E 191 4956 6029 5528 801 -74 -80 C +ATOM 5232 C ARG E 191 8.000 50.855 20.705 1.00 42.02 C +ANISOU 5232 C ARG E 191 4906 5682 5379 759 -47 -204 C +ATOM 5233 O ARG E 191 7.802 50.565 21.883 1.00 43.34 O +ANISOU 5233 O ARG E 191 5045 5923 5499 761 -11 -268 O +ATOM 5234 CB ARG E 191 6.554 49.398 19.277 1.00 41.32 C +ANISOU 5234 CB ARG E 191 4612 5918 5171 597 -116 -30 C +ATOM 5235 CG ARG E 191 5.334 49.248 18.384 1.00 44.98 C +ANISOU 5235 CG ARG E 191 4916 6611 5564 587 -154 90 C +ATOM 5236 CD ARG E 191 5.067 47.785 18.068 1.00 45.42 C +ANISOU 5236 CD ARG E 191 4942 6796 5518 336 -195 115 C +ATOM 5237 NE ARG E 191 6.232 47.135 17.475 1.00 48.01 N +ANISOU 5237 NE ARG E 191 5439 6931 5872 200 -218 67 N +ATOM 5238 CZ ARG E 191 6.370 45.819 17.351 1.00 48.58 C +ANISOU 5238 CZ ARG E 191 5577 7000 5881 1 -242 46 C +ATOM 5239 NH1 ARG E 191 5.416 45.006 17.782 1.00 53.15 N +ANISOU 5239 NH1 ARG E 191 6078 7754 6361 -134 -255 83 N +ATOM 5240 NH2 ARG E 191 7.466 45.316 16.799 1.00 46.33 N +ANISOU 5240 NH2 ARG E 191 5441 6537 5625 -65 -248 -12 N +ATOM 5241 N GLU E 192 9.195 51.199 20.237 1.00 39.12 N +ANISOU 5241 N GLU E 192 4665 5123 5075 705 -66 -229 N +ATOM 5242 CA GLU E 192 10.376 51.181 21.090 1.00 42.50 C +ANISOU 5242 CA GLU E 192 5190 5435 5522 640 -58 -332 C +ATOM 5243 C GLU E 192 10.470 52.448 21.938 1.00 42.66 C +ANISOU 5243 C GLU E 192 5301 5334 5572 753 -16 -422 C +ATOM 5244 O GLU E 192 11.307 52.541 22.836 1.00 44.18 O +ANISOU 5244 O GLU E 192 5565 5467 5756 694 -11 -518 O +ATOM 5245 CB GLU E 192 11.640 51.000 20.246 1.00 40.00 C +ANISOU 5245 CB GLU E 192 4939 5018 5243 522 -90 -325 C +ATOM 5246 CG GLU E 192 11.855 49.563 19.781 1.00 42.81 C +ANISOU 5246 CG GLU E 192 5249 5457 5559 411 -117 -297 C +ATOM 5247 CD GLU E 192 13.125 49.384 18.969 1.00 47.65 C +ANISOU 5247 CD GLU E 192 5905 6002 6198 330 -129 -308 C +ATOM 5248 OE1 GLU E 192 13.582 48.230 18.825 1.00 46.10 O +ANISOU 5248 OE1 GLU E 192 5702 5836 5978 273 -140 -322 O +ATOM 5249 OE2 GLU E 192 13.666 50.394 18.476 1.00 47.70 O +ANISOU 5249 OE2 GLU E 192 5956 5927 6242 326 -122 -302 O +ATOM 5250 N GLY E 193 9.612 53.421 21.644 1.00 29.21 N +ANISOU 5250 N GLY E 193 3606 3596 3898 921 9 -390 N +ATOM 5251 CA GLY E 193 9.457 54.583 22.501 1.00 33.73 C +ANISOU 5251 CA GLY E 193 4286 4041 4489 1068 64 -493 C +ATOM 5252 C GLY E 193 10.344 55.773 22.184 1.00 42.31 C +ANISOU 5252 C GLY E 193 5581 4844 5649 1051 54 -526 C +ATOM 5253 O GLY E 193 10.493 56.672 23.012 1.00 43.40 O +ANISOU 5253 O GLY E 193 5865 4832 5794 1114 96 -647 O +ATOM 5254 N GLY E 194 10.933 55.789 20.993 1.00 42.35 N +ANISOU 5254 N GLY E 194 5617 4780 5695 944 3 -423 N +ATOM 5255 CA GLY E 194 11.767 56.905 20.581 1.00 40.20 C +ANISOU 5255 CA GLY E 194 5544 4252 5478 883 -11 -425 C +ATOM 5256 C GLY E 194 13.238 56.720 20.907 1.00 36.60 C +ANISOU 5256 C GLY E 194 5141 3761 5005 643 -32 -503 C +ATOM 5257 O GLY E 194 13.850 57.565 21.560 1.00 39.32 O +ANISOU 5257 O GLY E 194 5646 3939 5353 579 -21 -605 O +ATOM 5258 N LEU E 195 13.806 55.610 20.451 1.00 37.97 N +ANISOU 5258 N LEU E 195 5177 4099 5150 512 -61 -460 N +ATOM 5259 CA LEU E 195 15.220 55.322 20.664 1.00 38.63 C +ANISOU 5259 CA LEU E 195 5256 4208 5213 314 -82 -514 C +ATOM 5260 C LEU E 195 16.069 55.976 19.576 1.00 45.18 C +ANISOU 5260 C LEU E 195 6160 4944 6063 171 -99 -444 C +ATOM 5261 O LEU E 195 15.731 55.907 18.394 1.00 43.78 O +ANISOU 5261 O LEU E 195 5958 4783 5894 190 -105 -328 O +ATOM 5262 CB LEU E 195 15.456 53.812 20.690 1.00 33.01 C +ANISOU 5262 CB LEU E 195 4376 3704 4464 280 -98 -503 C +ATOM 5263 CG LEU E 195 14.649 53.033 21.731 1.00 26.29 C +ANISOU 5263 CG LEU E 195 3454 2964 3572 375 -87 -544 C +ATOM 5264 CD1 LEU E 195 15.013 51.562 21.702 1.00 25.08 C +ANISOU 5264 CD1 LEU E 195 3190 2954 3387 324 -113 -520 C +ATOM 5265 CD2 LEU E 195 14.863 53.609 23.122 1.00 27.17 C +ANISOU 5265 CD2 LEU E 195 3638 3035 3651 371 -75 -664 C +ATOM 5266 N TYR E 196 17.172 56.604 19.975 1.00 43.88 N +ANISOU 5266 N TYR E 196 6080 4705 5887 1 -109 -509 N +ATOM 5267 CA TYR E 196 17.998 57.351 19.030 1.00 45.96 C +ANISOU 5267 CA TYR E 196 6426 4884 6152 -179 -121 -439 C +ATOM 5268 C TYR E 196 19.455 57.473 19.472 1.00 48.03 C +ANISOU 5268 C TYR E 196 6662 5220 6367 -422 -139 -509 C +ATOM 5269 O TYR E 196 19.804 57.149 20.607 1.00 46.47 O +ANISOU 5269 O TYR E 196 6413 5104 6138 -442 -153 -618 O +ATOM 5270 CB TYR E 196 17.411 58.748 18.812 1.00 43.17 C +ANISOU 5270 CB TYR E 196 6318 4240 5844 -129 -118 -398 C +ATOM 5271 CG TYR E 196 17.564 59.669 20.002 1.00 44.16 C +ANISOU 5271 CG TYR E 196 6637 4170 5971 -162 -112 -538 C +ATOM 5272 CD1 TYR E 196 16.702 59.582 21.088 1.00 41.03 C +ANISOU 5272 CD1 TYR E 196 6254 3757 5577 37 -82 -650 C +ATOM 5273 CD2 TYR E 196 18.568 60.628 20.039 1.00 49.21 C +ANISOU 5273 CD2 TYR E 196 7452 4655 6589 -416 -131 -566 C +ATOM 5274 CE1 TYR E 196 16.839 60.421 22.178 1.00 40.74 C +ANISOU 5274 CE1 TYR E 196 6413 3547 5521 5 -66 -804 C +ATOM 5275 CE2 TYR E 196 18.711 61.472 21.124 1.00 49.47 C +ANISOU 5275 CE2 TYR E 196 7693 4496 6606 -475 -127 -716 C +ATOM 5276 CZ TYR E 196 17.844 61.364 22.191 1.00 45.76 C +ANISOU 5276 CZ TYR E 196 7245 4005 6137 -253 -91 -843 C +ATOM 5277 OH TYR E 196 17.983 62.202 23.273 1.00 52.20 O +ANISOU 5277 OH TYR E 196 8284 4633 6915 -313 -77 -1015 O +ATOM 5278 N GLY E 197 20.302 57.934 18.556 1.00 51.21 N +ANISOU 5278 N GLY E 197 7083 5627 6749 -621 -144 -435 N +ATOM 5279 CA GLY E 197 21.703 58.177 18.851 1.00 49.84 C +ANISOU 5279 CA GLY E 197 6862 5559 6515 -888 -163 -482 C +ATOM 5280 C GLY E 197 22.260 59.350 18.064 1.00 51.07 C +ANISOU 5280 C GLY E 197 7179 5576 6649 -1134 -167 -401 C +ATOM 5281 O GLY E 197 21.649 59.801 17.095 1.00 50.30 O +ANISOU 5281 O GLY E 197 7200 5330 6580 -1084 -156 -281 O +ATOM 5282 N GLU E 198 23.431 59.831 18.472 1.00 55.11 N +ANISOU 5282 N GLU E 198 7690 6154 7096 -1421 -190 -451 N +ATOM 5283 CA GLU E 198 24.091 60.956 17.811 1.00 58.60 C +ANISOU 5283 CA GLU E 198 8293 6477 7496 -1729 -198 -371 C +ATOM 5284 C GLU E 198 25.606 60.874 17.978 1.00 59.40 C +ANISOU 5284 C GLU E 198 8202 6875 7491 -2052 -215 -400 C +ATOM 5285 O GLU E 198 26.105 60.650 19.079 1.00 58.07 O +ANISOU 5285 O GLU E 198 7943 6835 7285 -2107 -250 -520 O +ATOM 5286 CB GLU E 198 23.582 62.295 18.357 1.00 66.49 C +ANISOU 5286 CB GLU E 198 9672 7060 8531 -1778 -220 -415 C +ATOM 5287 CG GLU E 198 22.276 62.781 17.742 1.00 74.41 C +ANISOU 5287 CG GLU E 198 10894 7753 9624 -1523 -205 -316 C +ATOM 5288 CD GLU E 198 21.920 64.197 18.158 1.00 80.34 C +ANISOU 5288 CD GLU E 198 12054 8061 10412 -1570 -221 -351 C +ATOM 5289 OE1 GLU E 198 22.845 65.019 18.333 1.00 83.91 O +ANISOU 5289 OE1 GLU E 198 12671 8408 10802 -1921 -247 -377 O +ATOM 5290 OE2 GLU E 198 20.715 64.488 18.311 1.00 78.30 O +ANISOU 5290 OE2 GLU E 198 11953 7562 10236 -1255 -206 -354 O +ATOM 5291 N VAL E 199 26.334 61.061 16.881 1.00 61.44 N +ANISOU 5291 N VAL E 199 8382 7277 7685 -2273 -192 -282 N +ATOM 5292 CA VAL E 199 27.793 60.981 16.901 1.00 60.65 C +ANISOU 5292 CA VAL E 199 8048 7526 7469 -2585 -198 -291 C +ATOM 5293 C VAL E 199 28.398 62.120 16.088 1.00 64.87 C +ANISOU 5293 C VAL E 199 8739 7985 7923 -2980 -196 -173 C +ATOM 5294 O VAL E 199 28.114 62.270 14.900 1.00 67.45 O +ANISOU 5294 O VAL E 199 9122 8262 8244 -2979 -157 -34 O +ATOM 5295 CB VAL E 199 28.300 59.631 16.349 1.00 53.87 C +ANISOU 5295 CB VAL E 199 6799 7091 6578 -2431 -147 -275 C +ATOM 5296 CG1 VAL E 199 29.806 59.671 16.140 1.00 53.56 C +ANISOU 5296 CG1 VAL E 199 6495 7448 6407 -2749 -137 -256 C +ATOM 5297 CG2 VAL E 199 27.914 58.488 17.280 1.00 49.65 C +ANISOU 5297 CG2 VAL E 199 6117 6642 6104 -2101 -163 -382 C +ATOM 5298 N LYS E 200 29.230 62.921 16.745 1.00 68.15 N +ANISOU 5298 N LYS E 200 9234 8399 8261 -3344 -245 -225 N +ATOM 5299 CA LYS E 200 29.903 64.039 16.099 1.00 71.29 C +ANISOU 5299 CA LYS E 200 9798 8725 8563 -3794 -253 -113 C +ATOM 5300 C LYS E 200 30.990 63.545 15.149 1.00 70.28 C +ANISOU 5300 C LYS E 200 9301 9094 8310 -3991 -199 -14 C +ATOM 5301 O LYS E 200 31.783 62.673 15.506 1.00 72.26 O +ANISOU 5301 O LYS E 200 9164 9788 8505 -3959 -189 -85 O +ATOM 5302 CB LYS E 200 30.512 64.963 17.158 1.00 83.13 C +ANISOU 5302 CB LYS E 200 11483 10107 9995 -4162 -326 -219 C +ATOM 5303 CG LYS E 200 29.526 65.932 17.816 1.00 93.45 C +ANISOU 5303 CG LYS E 200 13286 10826 11395 -4085 -363 -296 C +ATOM 5304 CD LYS E 200 28.933 66.921 16.820 1.00102.81 C +ANISOU 5304 CD LYS E 200 14856 11582 12625 -4141 -350 -133 C +ATOM 5305 CE LYS E 200 27.950 67.873 17.493 1.00107.83 C +ANISOU 5305 CE LYS E 200 15981 11628 13361 -3992 -376 -219 C +ATOM 5306 NZ LYS E 200 26.713 67.181 17.956 1.00106.06 N +ANISOU 5306 NZ LYS E 200 15719 11308 13270 -3449 -349 -308 N +ATOM 5307 N THR E 201 31.025 64.110 13.944 1.00 70.31 N +ANISOU 5307 N THR E 201 9423 9033 8259 -4183 -162 155 N +ATOM 5308 CA THR E 201 32.050 63.777 12.960 1.00 72.23 C +ANISOU 5308 CA THR E 201 9336 9753 8354 -4407 -94 253 C +ATOM 5309 C THR E 201 32.134 64.840 11.870 1.00 78.20 C +ANISOU 5309 C THR E 201 10348 10342 9021 -4737 -82 450 C +ATOM 5310 O THR E 201 31.152 65.530 11.588 1.00 82.34 O +ANISOU 5310 O THR E 201 11272 10383 9630 -4679 -113 541 O +ATOM 5311 CB THR E 201 31.786 62.412 12.300 1.00 68.55 C +ANISOU 5311 CB THR E 201 8551 9581 7913 -4001 -9 242 C +ATOM 5312 OG1 THR E 201 32.792 62.159 11.313 1.00 65.99 O +ANISOU 5312 OG1 THR E 201 7920 9724 7428 -4216 76 322 O +ATOM 5313 CG2 THR E 201 30.412 62.386 11.637 1.00 67.63 C +ANISOU 5313 CG2 THR E 201 8694 9102 7902 -3693 1 318 C +ATOM 5314 N GLU E 202 33.306 64.964 11.255 1.00 82.55 N +ANISOU 5314 N GLU E 202 10671 11300 9396 -4969 -41 515 N +ATOM 5315 CA GLU E 202 33.460 65.841 10.100 1.00 90.75 C +ANISOU 5315 CA GLU E 202 11903 12257 10320 -5194 -27 703 C +ATOM 5316 C GLU E 202 32.932 65.142 8.846 1.00 86.06 C +ANISOU 5316 C GLU E 202 11191 11797 9711 -5025 60 813 C +ATOM 5317 O GLU E 202 33.325 64.016 8.540 1.00 85.91 O +ANISOU 5317 O GLU E 202 10766 12233 9642 -4885 149 750 O +ATOM 5318 CB GLU E 202 34.926 66.265 9.907 1.00106.19 C +ANISOU 5318 CB GLU E 202 13666 14616 12064 -5532 -18 728 C +ATOM 5319 CG GLU E 202 35.920 65.133 9.669 1.00115.24 C +ANISOU 5319 CG GLU E 202 14265 16425 13095 -5459 69 661 C +ATOM 5320 CD GLU E 202 37.344 65.631 9.502 1.00123.24 C +ANISOU 5320 CD GLU E 202 15107 17831 13887 -5796 69 696 C +ATOM 5321 OE1 GLU E 202 37.520 66.809 9.125 1.00126.50 O +ANISOU 5321 OE1 GLU E 202 15818 18039 14207 -6117 23 813 O +ATOM 5322 OE2 GLU E 202 38.284 64.842 9.738 1.00126.53 O +ANISOU 5322 OE2 GLU E 202 15095 18763 14219 -5732 111 611 O +ATOM 5323 N VAL E 203 32.007 65.792 8.147 1.00 83.52 N +ANISOU 5323 N VAL E 203 11231 11074 9430 -5006 33 973 N +ATOM 5324 CA VAL E 203 31.420 65.200 6.952 1.00 79.24 C +ANISOU 5324 CA VAL E 203 10614 10643 8852 -4857 102 1094 C +ATOM 5325 C VAL E 203 32.185 65.685 5.715 1.00 84.72 C +ANISOU 5325 C VAL E 203 11260 11596 9332 -5116 139 1244 C +ATOM 5326 O VAL E 203 32.161 66.872 5.380 1.00 92.11 O +ANISOU 5326 O VAL E 203 12526 12243 10227 -5323 69 1389 O +ATOM 5327 CB VAL E 203 29.921 65.536 6.827 1.00 73.32 C +ANISOU 5327 CB VAL E 203 10252 9358 8250 -4618 39 1200 C +ATOM 5328 CG1 VAL E 203 29.315 64.836 5.622 1.00 69.22 C +ANISOU 5328 CG1 VAL E 203 9618 9011 7673 -4379 95 1294 C +ATOM 5329 CG2 VAL E 203 29.185 65.136 8.094 1.00 57.42 C +ANISOU 5329 CG2 VAL E 203 8282 7097 6439 -4226 -11 1000 C +ATOM 5330 N PRO E 204 32.870 64.754 5.033 1.00 82.97 N +ANISOU 5330 N PRO E 204 10631 11923 8970 -5090 250 1199 N +ATOM 5331 CA PRO E 204 33.683 65.008 3.837 1.00 89.30 C +ANISOU 5331 CA PRO E 204 11316 13070 9544 -5314 303 1306 C +ATOM 5332 C PRO E 204 32.877 65.616 2.694 1.00 93.92 C +ANISOU 5332 C PRO E 204 12208 13397 10081 -5352 272 1527 C +ATOM 5333 O PRO E 204 31.664 65.422 2.623 1.00 92.34 O +ANISOU 5333 O PRO E 204 12193 12888 10003 -5118 247 1585 O +ATOM 5334 CB PRO E 204 34.203 63.618 3.454 1.00 87.09 C +ANISOU 5334 CB PRO E 204 10560 13353 9179 -5117 440 1167 C +ATOM 5335 CG PRO E 204 33.295 62.660 4.129 1.00 81.97 C +ANISOU 5335 CG PRO E 204 9858 12569 8718 -4769 458 1047 C +ATOM 5336 CD PRO E 204 32.847 63.325 5.387 1.00 77.83 C +ANISOU 5336 CD PRO E 204 9608 11587 8376 -4799 337 1025 C +ATOM 5337 N GLN E 205 33.550 66.349 1.814 1.00 99.73 N +ANISOU 5337 N GLN E 205 12989 14275 10629 -5647 266 1658 N +ATOM 5338 CA GLN E 205 32.881 66.985 0.688 1.00104.92 C +ANISOU 5338 CA GLN E 205 13926 14718 11219 -5703 223 1885 C +ATOM 5339 C GLN E 205 32.966 66.127 -0.571 1.00105.19 C +ANISOU 5339 C GLN E 205 13691 15200 11076 -5629 330 1901 C +ATOM 5340 O GLN E 205 33.760 65.190 -0.650 1.00106.02 O +ANISOU 5340 O GLN E 205 13398 15800 11085 -5581 445 1737 O +ATOM 5341 CB GLN E 205 33.493 68.360 0.413 1.00113.60 C +ANISOU 5341 CB GLN E 205 15279 15674 12211 -6087 143 2034 C +ATOM 5342 CG GLN E 205 33.358 69.339 1.561 1.00117.54 C +ANISOU 5342 CG GLN E 205 16114 15680 12865 -6170 36 2017 C +ATOM 5343 CD GLN E 205 31.925 69.775 1.784 1.00117.93 C +ANISOU 5343 CD GLN E 205 16570 15117 13122 -5911 -49 2115 C +ATOM 5344 OE1 GLN E 205 31.102 69.732 0.869 1.00118.02 O +ANISOU 5344 OE1 GLN E 205 16690 15031 13122 -5767 -60 2277 O +ATOM 5345 NE2 GLN E 205 31.619 70.201 3.003 1.00117.78 N +ANISOU 5345 NE2 GLN E 205 16772 14697 13282 -5836 -112 2014 N +ATOM 5346 N GLY E 206 32.128 66.452 -1.550 1.00105.37 N +ANISOU 5346 N GLY E 206 13938 15043 11053 -5596 290 2094 N +ATOM 5347 CA GLY E 206 32.091 65.722 -2.803 1.00105.42 C +ANISOU 5347 CA GLY E 206 13742 15437 10876 -5534 378 2114 C +ATOM 5348 C GLY E 206 31.502 64.332 -2.658 1.00102.58 C +ANISOU 5348 C GLY E 206 13158 15238 10578 -5177 469 1947 C +ATOM 5349 O GLY E 206 31.874 63.414 -3.389 1.00104.67 O +ANISOU 5349 O GLY E 206 13134 15947 10690 -5106 589 1837 O +ATOM 5350 N ILE E 207 30.579 64.174 -1.715 1.00 98.93 N +ANISOU 5350 N ILE E 207 12842 14409 10336 -4950 416 1919 N +ATOM 5351 CA ILE E 207 29.897 62.898 -1.530 1.00 94.48 C +ANISOU 5351 CA ILE E 207 12110 13953 9836 -4624 490 1779 C +ATOM 5352 C ILE E 207 28.381 63.046 -1.608 1.00 95.90 C +ANISOU 5352 C ILE E 207 12588 13733 10118 -4425 390 1937 C +ATOM 5353 O ILE E 207 27.824 64.075 -1.225 1.00100.55 O +ANISOU 5353 O ILE E 207 13515 13857 10834 -4453 258 2097 O +ATOM 5354 CB ILE E 207 30.262 62.253 -0.176 1.00 86.72 C +ANISOU 5354 CB ILE E 207 10926 13007 9017 -4495 534 1551 C +ATOM 5355 CG1 ILE E 207 29.844 63.163 0.983 1.00 82.94 C +ANISOU 5355 CG1 ILE E 207 10749 12014 8750 -4535 402 1607 C +ATOM 5356 CG2 ILE E 207 31.752 61.954 -0.110 1.00 87.68 C +ANISOU 5356 CG2 ILE E 207 10698 13590 9026 -4624 628 1393 C +ATOM 5357 CD1 ILE E 207 29.961 62.518 2.344 1.00 80.24 C +ANISOU 5357 CD1 ILE E 207 10250 11639 8598 -4291 399 1358 C +ATOM 5358 N LYS E 208 27.718 62.017 -2.126 1.00 92.57 N +ANISOU 5358 N LYS E 208 12043 13485 9644 -4169 438 1865 N +ATOM 5359 CA LYS E 208 26.262 61.962 -2.106 1.00 90.15 C +ANISOU 5359 CA LYS E 208 11942 12842 9468 -3841 314 1929 C +ATOM 5360 C LYS E 208 25.818 60.663 -1.442 1.00 84.36 C +ANISOU 5360 C LYS E 208 11013 12162 8879 -3436 345 1641 C +ATOM 5361 O LYS E 208 26.407 59.610 -1.684 1.00 86.18 O +ANISOU 5361 O LYS E 208 10967 12767 9012 -3388 475 1442 O +ATOM 5362 CB LYS E 208 25.682 62.072 -3.515 1.00 95.07 C +ANISOU 5362 CB LYS E 208 12657 13591 9874 -3916 290 2148 C +ATOM 5363 CG LYS E 208 24.195 62.374 -3.513 1.00101.68 C +ANISOU 5363 CG LYS E 208 13737 14061 10835 -3639 128 2299 C +ATOM 5364 CD LYS E 208 23.934 63.651 -2.720 1.00107.40 C +ANISOU 5364 CD LYS E 208 14780 14271 11755 -3659 3 2461 C +ATOM 5365 CE LYS E 208 22.456 63.985 -2.640 1.00108.24 C +ANISOU 5365 CE LYS E 208 15104 14024 11999 -3330 -151 2608 C +ATOM 5366 NZ LYS E 208 21.713 62.990 -1.819 1.00103.22 N +ANISOU 5366 NZ LYS E 208 14306 13373 11541 -2930 -152 2356 N +ATOM 5367 N TRP E 209 24.785 60.728 -0.608 1.00 75.97 N +ANISOU 5367 N TRP E 209 10100 10725 8039 -3144 233 1620 N +ATOM 5368 CA TRP E 209 24.326 59.533 0.092 1.00 64.62 C +ANISOU 5368 CA TRP E 209 8504 9313 6737 -2792 253 1368 C +ATOM 5369 C TRP E 209 22.825 59.301 -0.050 1.00 65.17 C +ANISOU 5369 C TRP E 209 8691 9196 6874 -2510 149 1429 C +ATOM 5370 O TRP E 209 22.050 60.241 -0.223 1.00 68.08 O +ANISOU 5370 O TRP E 209 9291 9298 7279 -2501 34 1652 O +ATOM 5371 CB TRP E 209 24.702 59.610 1.575 1.00 57.91 C +ANISOU 5371 CB TRP E 209 7632 8276 6097 -2708 240 1214 C +ATOM 5372 CG TRP E 209 24.116 60.783 2.305 1.00 57.48 C +ANISOU 5372 CG TRP E 209 7869 7766 6204 -2694 116 1344 C +ATOM 5373 CD1 TRP E 209 24.621 62.049 2.359 1.00 61.83 C +ANISOU 5373 CD1 TRP E 209 8626 8125 6741 -2985 78 1501 C +ATOM 5374 CD2 TRP E 209 22.930 60.789 3.111 1.00 61.59 C +ANISOU 5374 CD2 TRP E 209 8519 7964 6917 -2371 24 1313 C +ATOM 5375 NE1 TRP E 209 23.815 62.847 3.135 1.00 65.02 N +ANISOU 5375 NE1 TRP E 209 9306 8074 7324 -2837 -29 1558 N +ATOM 5376 CE2 TRP E 209 22.771 62.097 3.610 1.00 64.78 C +ANISOU 5376 CE2 TRP E 209 9214 7980 7420 -2450 -58 1443 C +ATOM 5377 CE3 TRP E 209 21.984 59.818 3.453 1.00 64.48 C +ANISOU 5377 CE3 TRP E 209 8790 8340 7371 -2037 9 1187 C +ATOM 5378 CZ2 TRP E 209 21.705 62.459 4.433 1.00 65.41 C +ANISOU 5378 CZ2 TRP E 209 9469 7701 7681 -2166 -143 1437 C +ATOM 5379 CZ3 TRP E 209 20.926 60.179 4.271 1.00 61.29 C +ANISOU 5379 CZ3 TRP E 209 8536 7613 7139 -1790 -80 1200 C +ATOM 5380 CH2 TRP E 209 20.796 61.488 4.751 1.00 59.68 C +ANISOU 5380 CH2 TRP E 209 8601 7045 7030 -1836 -148 1317 C +ATOM 5381 N GLU E 210 22.430 58.033 0.026 1.00 61.82 N +ANISOU 5381 N GLU E 210 8105 8921 6461 -2282 189 1232 N +ATOM 5382 CA GLU E 210 21.035 57.638 -0.124 1.00 59.94 C +ANISOU 5382 CA GLU E 210 7926 8588 6260 -2045 98 1266 C +ATOM 5383 C GLU E 210 20.649 56.565 0.887 1.00 59.11 C +ANISOU 5383 C GLU E 210 7711 8436 6312 -1773 110 1026 C +ATOM 5384 O GLU E 210 21.463 55.717 1.252 1.00 56.64 O +ANISOU 5384 O GLU E 210 7239 8276 6005 -1753 212 813 O +ATOM 5385 CB GLU E 210 20.768 57.123 -1.540 1.00 60.77 C +ANISOU 5385 CB GLU E 210 7982 8989 6117 -2133 123 1321 C +ATOM 5386 CG GLU E 210 19.293 57.031 -1.899 1.00 66.37 C +ANISOU 5386 CG GLU E 210 8769 9629 6819 -1969 -4 1441 C +ATOM 5387 CD GLU E 210 19.064 56.616 -3.338 1.00 74.22 C +ANISOU 5387 CD GLU E 210 9731 10936 7535 -2104 8 1509 C +ATOM 5388 OE1 GLU E 210 20.046 56.564 -4.108 1.00 79.09 O +ANISOU 5388 OE1 GLU E 210 10291 11802 7959 -2333 118 1489 O +ATOM 5389 OE2 GLU E 210 17.900 56.337 -3.698 1.00 74.25 O +ANISOU 5389 OE2 GLU E 210 9751 10966 7495 -1993 -92 1579 O +ATOM 5390 N LEU E 211 19.400 56.612 1.336 1.00 60.74 N +ANISOU 5390 N LEU E 211 7998 8442 6638 -1560 5 1075 N +ATOM 5391 CA LEU E 211 18.877 55.613 2.255 1.00 57.10 C +ANISOU 5391 CA LEU E 211 7449 7940 6305 -1327 5 880 C +ATOM 5392 C LEU E 211 17.638 54.957 1.651 1.00 53.85 C +ANISOU 5392 C LEU E 211 7021 7623 5815 -1221 -56 912 C +ATOM 5393 O LEU E 211 16.685 55.642 1.279 1.00 57.09 O +ANISOU 5393 O LEU E 211 7519 7961 6213 -1179 -161 1115 O +ATOM 5394 CB LEU E 211 18.550 56.252 3.606 1.00 58.06 C +ANISOU 5394 CB LEU E 211 7656 7758 6645 -1179 -54 879 C +ATOM 5395 CG LEU E 211 18.138 55.330 4.753 1.00 58.46 C +ANISOU 5395 CG LEU E 211 7622 7759 6831 -967 -49 688 C +ATOM 5396 CD1 LEU E 211 19.308 54.460 5.183 1.00 58.88 C +ANISOU 5396 CD1 LEU E 211 7539 7948 6885 -1006 51 481 C +ATOM 5397 CD2 LEU E 211 17.619 56.149 5.922 1.00 57.46 C +ANISOU 5397 CD2 LEU E 211 7604 7349 6880 -827 -113 719 C +ATOM 5398 N TYR E 212 17.652 53.631 1.552 1.00 49.04 N +ANISOU 5398 N TYR E 212 6305 7179 5150 -1180 5 716 N +ATOM 5399 CA TYR E 212 16.541 52.907 0.944 1.00 47.63 C +ANISOU 5399 CA TYR E 212 6111 7119 4866 -1139 -51 723 C +ATOM 5400 C TYR E 212 16.466 51.481 1.494 1.00 46.17 C +ANISOU 5400 C TYR E 212 5860 6962 4721 -1039 0 476 C +ATOM 5401 O TYR E 212 17.451 50.973 2.030 1.00 45.73 O +ANISOU 5401 O TYR E 212 5758 6893 4726 -1010 97 304 O +ATOM 5402 CB TYR E 212 16.682 52.897 -0.586 1.00 50.93 C +ANISOU 5402 CB TYR E 212 6537 7788 5025 -1335 -33 806 C +ATOM 5403 CG TYR E 212 17.984 52.328 -1.107 1.00 54.01 C +ANISOU 5403 CG TYR E 212 6865 8369 5286 -1467 121 638 C +ATOM 5404 CD1 TYR E 212 18.172 50.955 -1.213 1.00 54.51 C +ANISOU 5404 CD1 TYR E 212 6874 8550 5286 -1423 210 387 C +ATOM 5405 CD2 TYR E 212 19.021 53.162 -1.503 1.00 57.70 C +ANISOU 5405 CD2 TYR E 212 7333 8903 5688 -1634 181 731 C +ATOM 5406 CE1 TYR E 212 19.357 50.430 -1.692 1.00 55.82 C +ANISOU 5406 CE1 TYR E 212 6973 8903 5334 -1493 363 222 C +ATOM 5407 CE2 TYR E 212 20.210 52.645 -1.983 1.00 57.56 C +ANISOU 5407 CE2 TYR E 212 7217 9116 5539 -1740 334 576 C +ATOM 5408 CZ TYR E 212 20.372 51.279 -2.076 1.00 57.24 C +ANISOU 5408 CZ TYR E 212 7108 9198 5444 -1645 429 316 C +ATOM 5409 OH TYR E 212 21.553 50.758 -2.553 1.00 62.68 O +ANISOU 5409 OH TYR E 212 7689 10125 6002 -1702 593 150 O +ATOM 5410 N PRO E 213 15.296 50.832 1.366 1.00 44.64 N +ANISOU 5410 N PRO E 213 5663 6814 4486 -993 -71 470 N +ATOM 5411 CA PRO E 213 15.130 49.465 1.881 1.00 40.47 C +ANISOU 5411 CA PRO E 213 5114 6276 3986 -928 -34 255 C +ATOM 5412 C PRO E 213 16.011 48.421 1.197 1.00 39.47 C +ANISOU 5412 C PRO E 213 4995 6280 3721 -1007 88 50 C +ATOM 5413 O PRO E 213 16.166 48.444 -0.024 1.00 40.28 O +ANISOU 5413 O PRO E 213 5113 6571 3620 -1153 117 73 O +ATOM 5414 CB PRO E 213 13.652 49.162 1.603 1.00 39.78 C +ANISOU 5414 CB PRO E 213 5022 6267 3827 -940 -147 336 C +ATOM 5415 CG PRO E 213 12.999 50.488 1.489 1.00 42.28 C +ANISOU 5415 CG PRO E 213 5328 6563 4174 -898 -251 595 C +ATOM 5416 CD PRO E 213 14.022 51.396 0.886 1.00 44.09 C +ANISOU 5416 CD PRO E 213 5603 6793 4356 -989 -202 684 C +ATOM 5417 N ASN E 214 16.589 47.525 1.992 1.00 39.94 N +ANISOU 5417 N ASN E 214 5051 6243 3883 -897 161 -146 N +ATOM 5418 CA ASN E 214 17.210 46.317 1.463 1.00 37.74 C +ANISOU 5418 CA ASN E 214 4805 6044 3490 -908 273 -368 C +ATOM 5419 C ASN E 214 16.122 45.431 0.871 1.00 43.04 C +ANISOU 5419 C ASN E 214 5571 6760 4023 -998 220 -423 C +ATOM 5420 O ASN E 214 15.282 44.908 1.602 1.00 49.20 O +ANISOU 5420 O ASN E 214 6388 7417 4890 -953 148 -437 O +ATOM 5421 CB ASN E 214 17.978 45.573 2.562 1.00 35.82 C +ANISOU 5421 CB ASN E 214 4547 5655 3408 -729 338 -534 C +ATOM 5422 CG ASN E 214 18.857 44.456 2.021 1.00 42.38 C +ANISOU 5422 CG ASN E 214 5410 6556 4138 -681 475 -763 C +ATOM 5423 OD1 ASN E 214 18.513 43.788 1.046 1.00 43.24 O +ANISOU 5423 OD1 ASN E 214 5612 6747 4069 -773 505 -859 O +ATOM 5424 ND2 ASN E 214 20.000 44.245 2.663 1.00 47.30 N +ANISOU 5424 ND2 ASN E 214 5952 7153 4865 -527 558 -858 N +ATOM 5425 N PRO E 215 16.131 45.261 -0.459 1.00 41.94 N +ANISOU 5425 N PRO E 215 5469 6819 3646 -1154 256 -453 N +ATOM 5426 CA PRO E 215 15.063 44.519 -1.138 1.00 43.46 C +ANISOU 5426 CA PRO E 215 5752 7093 3666 -1296 191 -494 C +ATOM 5427 C PRO E 215 15.023 43.040 -0.763 1.00 47.38 C +ANISOU 5427 C PRO E 215 6382 7442 4179 -1253 240 -743 C +ATOM 5428 O PRO E 215 13.996 42.390 -0.956 1.00 51.95 O +ANISOU 5428 O PRO E 215 7046 8029 4664 -1381 161 -769 O +ATOM 5429 CB PRO E 215 15.407 44.691 -2.621 1.00 43.32 C +ANISOU 5429 CB PRO E 215 5751 7332 3377 -1469 249 -500 C +ATOM 5430 CG PRO E 215 16.874 44.937 -2.641 1.00 40.97 C +ANISOU 5430 CG PRO E 215 5395 7061 3111 -1385 401 -582 C +ATOM 5431 CD PRO E 215 17.175 45.714 -1.394 1.00 43.27 C +ANISOU 5431 CD PRO E 215 5594 7174 3672 -1231 365 -460 C +ATOM 5432 N LEU E 216 16.120 42.520 -0.223 1.00 46.99 N +ANISOU 5432 N LEU E 216 6352 7261 4242 -1081 361 -911 N +ATOM 5433 CA LEU E 216 16.198 41.103 0.109 1.00 50.44 C +ANISOU 5433 CA LEU E 216 6952 7515 4698 -1009 414 -1142 C +ATOM 5434 C LEU E 216 16.017 40.846 1.601 1.00 54.22 C +ANISOU 5434 C LEU E 216 7431 7751 5419 -855 356 -1111 C +ATOM 5435 O LEU E 216 15.840 39.704 2.024 1.00 58.93 O +ANISOU 5435 O LEU E 216 8187 8158 6047 -817 362 -1250 O +ATOM 5436 CB LEU E 216 17.536 40.524 -0.357 1.00 48.14 C +ANISOU 5436 CB LEU E 216 6695 7249 4347 -881 593 -1365 C +ATOM 5437 CG LEU E 216 17.851 40.698 -1.844 1.00 51.01 C +ANISOU 5437 CG LEU E 216 7060 7882 4441 -1031 681 -1428 C +ATOM 5438 CD1 LEU E 216 19.125 39.958 -2.216 1.00 51.71 C +ANISOU 5438 CD1 LEU E 216 7181 7996 4469 -866 878 -1686 C +ATOM 5439 CD2 LEU E 216 16.687 40.232 -2.697 1.00 52.65 C +ANISOU 5439 CD2 LEU E 216 7419 8154 4431 -1280 602 -1455 C +ATOM 5440 N VAL E 217 16.064 41.910 2.396 1.00 54.22 N +ANISOU 5440 N VAL E 217 7274 7747 5579 -778 301 -929 N +ATOM 5441 CA VAL E 217 15.893 41.792 3.841 1.00 49.45 C +ANISOU 5441 CA VAL E 217 6655 6950 5184 -644 247 -888 C +ATOM 5442 C VAL E 217 14.926 42.862 4.337 1.00 50.34 C +ANISOU 5442 C VAL E 217 6658 7101 5368 -690 126 -666 C +ATOM 5443 O VAL E 217 15.332 43.986 4.639 1.00 50.11 O +ANISOU 5443 O VAL E 217 6514 7098 5426 -628 122 -549 O +ATOM 5444 CB VAL E 217 17.234 41.931 4.605 1.00 46.43 C +ANISOU 5444 CB VAL E 217 6191 6500 4951 -437 328 -938 C +ATOM 5445 CG1 VAL E 217 17.121 41.294 5.979 1.00 47.13 C +ANISOU 5445 CG1 VAL E 217 6328 6377 5203 -304 286 -958 C +ATOM 5446 CG2 VAL E 217 18.382 41.299 3.830 1.00 44.71 C +ANISOU 5446 CG2 VAL E 217 6001 6347 4638 -362 471 -1125 C +ATOM 5447 N ARG E 218 13.646 42.505 4.404 1.00 48.97 N +ANISOU 5447 N ARG E 218 6524 6935 5146 -802 32 -616 N +ATOM 5448 CA ARG E 218 12.595 43.431 4.817 1.00 44.58 C +ANISOU 5448 CA ARG E 218 5850 6449 4639 -817 -78 -414 C +ATOM 5449 C ARG E 218 12.871 44.026 6.197 1.00 39.75 C +ANISOU 5449 C ARG E 218 5165 5703 4236 -641 -82 -357 C +ATOM 5450 O ARG E 218 13.383 43.343 7.085 1.00 37.52 O +ANISOU 5450 O ARG E 218 4933 5270 4051 -550 -44 -460 O +ATOM 5451 CB ARG E 218 11.232 42.732 4.796 1.00 50.12 C +ANISOU 5451 CB ARG E 218 6581 7214 5249 -967 -168 -393 C +ATOM 5452 CG ARG E 218 10.049 43.688 4.739 1.00 56.94 C +ANISOU 5452 CG ARG E 218 7289 8255 6091 -996 -279 -178 C +ATOM 5453 CD ARG E 218 8.732 42.969 4.977 1.00 64.19 C +ANISOU 5453 CD ARG E 218 8187 9270 6933 -1141 -365 -154 C +ATOM 5454 NE ARG E 218 8.438 42.014 3.912 1.00 74.71 N +ANISOU 5454 NE ARG E 218 9634 10701 8052 -1384 -380 -253 N +ATOM 5455 CZ ARG E 218 7.322 41.296 3.836 1.00 81.99 C +ANISOU 5455 CZ ARG E 218 10558 11745 8849 -1595 -462 -245 C +ATOM 5456 NH1 ARG E 218 6.385 41.421 4.767 1.00 81.59 N +ANISOU 5456 NH1 ARG E 218 10373 11761 8868 -1580 -527 -131 N +ATOM 5457 NH2 ARG E 218 7.143 40.451 2.830 1.00 82.86 N +ANISOU 5457 NH2 ARG E 218 10803 11930 8749 -1839 -473 -357 N +ATOM 5458 N ARG E 219 12.547 45.311 6.339 1.00 41.11 N +ANISOU 5458 N ARG E 219 5233 5924 4464 -592 -130 -191 N +ATOM 5459 CA ARG E 219 12.740 46.089 7.567 1.00 44.33 C +ANISOU 5459 CA ARG E 219 5584 6214 5045 -443 -136 -137 C +ATOM 5460 C ARG E 219 14.215 46.370 7.846 1.00 45.23 C +ANISOU 5460 C ARG E 219 5706 6242 5239 -372 -56 -211 C +ATOM 5461 O ARG E 219 14.572 46.805 8.938 1.00 48.69 O +ANISOU 5461 O ARG E 219 6116 6577 5807 -271 -54 -208 O +ATOM 5462 CB ARG E 219 12.109 45.400 8.781 1.00 45.56 C +ANISOU 5462 CB ARG E 219 5741 6294 5276 -396 -165 -174 C +ATOM 5463 CG ARG E 219 10.591 45.353 8.764 1.00 49.36 C +ANISOU 5463 CG ARG E 219 6158 6902 5693 -459 -247 -73 C +ATOM 5464 CD ARG E 219 10.053 44.842 10.091 1.00 53.40 C +ANISOU 5464 CD ARG E 219 6652 7359 6277 -419 -262 -93 C +ATOM 5465 NE ARG E 219 10.496 43.484 10.389 1.00 61.82 N +ANISOU 5465 NE ARG E 219 7846 8310 7331 -483 -231 -227 N +ATOM 5466 CZ ARG E 219 9.825 42.387 10.053 1.00 68.40 C +ANISOU 5466 CZ ARG E 219 8756 9180 8054 -651 -260 -266 C +ATOM 5467 NH1 ARG E 219 8.673 42.486 9.406 1.00 69.33 N +ANISOU 5467 NH1 ARG E 219 8796 9497 8050 -791 -326 -179 N +ATOM 5468 NH2 ARG E 219 10.306 41.192 10.368 1.00 72.16 N +ANISOU 5468 NH2 ARG E 219 9392 9491 8533 -684 -230 -385 N +ATOM 5469 N PHE E 220 15.071 46.110 6.865 1.00 42.87 N +ANISOU 5469 N PHE E 220 5429 6015 4844 -435 13 -282 N +ATOM 5470 CA PHE E 220 16.470 46.515 6.950 1.00 39.81 C +ANISOU 5470 CA PHE E 220 5001 5624 4502 -394 90 -328 C +ATOM 5471 C PHE E 220 16.784 47.557 5.886 1.00 39.25 C +ANISOU 5471 C PHE E 220 4904 5671 4337 -505 104 -219 C +ATOM 5472 O PHE E 220 16.499 47.357 4.707 1.00 41.46 O +ANISOU 5472 O PHE E 220 5211 6081 4460 -613 111 -206 O +ATOM 5473 CB PHE E 220 17.397 45.308 6.806 1.00 42.78 C +ANISOU 5473 CB PHE E 220 5402 6008 4845 -343 182 -512 C +ATOM 5474 CG PHE E 220 17.512 44.479 8.055 1.00 40.10 C +ANISOU 5474 CG PHE E 220 5088 5522 4626 -208 172 -593 C +ATOM 5475 CD1 PHE E 220 16.489 43.628 8.438 1.00 30.16 C +ANISOU 5475 CD1 PHE E 220 3924 4169 3368 -217 117 -610 C +ATOM 5476 CD2 PHE E 220 18.649 44.548 8.843 1.00 37.24 C +ANISOU 5476 CD2 PHE E 220 4650 5138 4360 -91 210 -636 C +ATOM 5477 CE1 PHE E 220 16.598 42.862 9.585 1.00 29.54 C +ANISOU 5477 CE1 PHE E 220 3887 3951 3386 -111 102 -660 C +ATOM 5478 CE2 PHE E 220 18.765 43.785 9.989 1.00 34.64 C +ANISOU 5478 CE2 PHE E 220 4349 4686 4127 35 188 -687 C +ATOM 5479 CZ PHE E 220 17.737 42.942 10.361 1.00 35.91 C +ANISOU 5479 CZ PHE E 220 4627 4728 4289 27 135 -694 C +ATOM 5480 N MET E 221 17.362 48.675 6.307 1.00 39.68 N +ANISOU 5480 N MET E 221 4923 5679 4473 -502 102 -136 N +ATOM 5481 CA MET E 221 17.696 49.745 5.376 1.00 40.63 C +ANISOU 5481 CA MET E 221 5048 5882 4509 -632 108 -5 C +ATOM 5482 C MET E 221 19.127 49.619 4.869 1.00 43.02 C +ANISOU 5482 C MET E 221 5283 6328 4735 -710 220 -90 C +ATOM 5483 O MET E 221 19.970 48.981 5.500 1.00 39.49 O +ANISOU 5483 O MET E 221 4769 5889 4348 -625 281 -231 O +ATOM 5484 CB MET E 221 17.491 51.110 6.034 1.00 44.92 C +ANISOU 5484 CB MET E 221 5629 6271 5167 -616 43 141 C +ATOM 5485 CG MET E 221 16.070 51.362 6.511 1.00 47.13 C +ANISOU 5485 CG MET E 221 5948 6443 5515 -505 -54 232 C +ATOM 5486 SD MET E 221 14.843 51.116 5.212 1.00 56.24 S +ANISOU 5486 SD MET E 221 7106 7756 6506 -561 -119 350 S +ATOM 5487 CE MET E 221 13.974 49.678 5.833 1.00 35.60 C +ANISOU 5487 CE MET E 221 4451 5169 3908 -487 -136 211 C +ATOM 5488 N VAL E 222 19.391 50.234 3.722 1.00 47.45 N +ANISOU 5488 N VAL E 222 5850 7027 5152 -868 244 8 N +ATOM 5489 CA VAL E 222 20.728 50.255 3.150 1.00 44.59 C +ANISOU 5489 CA VAL E 222 5398 6857 4689 -971 360 -51 C +ATOM 5490 C VAL E 222 21.231 51.688 3.054 1.00 49.63 C +ANISOU 5490 C VAL E 222 6047 7485 5325 -1138 340 124 C +ATOM 5491 O VAL E 222 20.528 52.568 2.559 1.00 49.06 O +ANISOU 5491 O VAL E 222 6081 7345 5215 -1226 261 314 O +ATOM 5492 CB VAL E 222 20.757 49.605 1.751 1.00 45.75 C +ANISOU 5492 CB VAL E 222 5544 7227 4613 -1058 435 -111 C +ATOM 5493 CG1 VAL E 222 22.112 49.811 1.089 1.00 45.77 C +ANISOU 5493 CG1 VAL E 222 5432 7474 4484 -1181 565 -148 C +ATOM 5494 CG2 VAL E 222 20.427 48.127 1.849 1.00 45.49 C +ANISOU 5494 CG2 VAL E 222 5537 7175 4574 -915 468 -316 C +ATOM 5495 N PHE E 223 22.447 51.921 3.534 1.00 52.69 N +ANISOU 5495 N PHE E 223 6329 7940 5749 -1187 404 71 N +ATOM 5496 CA PHE E 223 23.076 53.224 3.381 1.00 50.82 C +ANISOU 5496 CA PHE E 223 6113 7713 5483 -1406 396 225 C +ATOM 5497 C PHE E 223 24.098 53.177 2.253 1.00 55.39 C +ANISOU 5497 C PHE E 223 6574 8617 5855 -1594 516 219 C +ATOM 5498 O PHE E 223 25.075 52.430 2.316 1.00 55.37 O +ANISOU 5498 O PHE E 223 6391 8833 5815 -1545 627 56 O +ATOM 5499 CB PHE E 223 23.739 53.664 4.687 1.00 50.55 C +ANISOU 5499 CB PHE E 223 6038 7569 5601 -1400 375 187 C +ATOM 5500 CG PHE E 223 24.309 55.051 4.637 1.00 53.16 C +ANISOU 5500 CG PHE E 223 6436 7855 5908 -1660 351 341 C +ATOM 5501 CD1 PHE E 223 23.494 56.153 4.827 1.00 53.80 C +ANISOU 5501 CD1 PHE E 223 6742 7638 6063 -1699 245 506 C +ATOM 5502 CD2 PHE E 223 25.658 55.254 4.398 1.00 51.44 C +ANISOU 5502 CD2 PHE E 223 6062 7894 5588 -1868 437 324 C +ATOM 5503 CE1 PHE E 223 24.012 57.431 4.784 1.00 52.44 C +ANISOU 5503 CE1 PHE E 223 6686 7371 5869 -1953 219 648 C +ATOM 5504 CE2 PHE E 223 26.182 56.531 4.352 1.00 53.15 C +ANISOU 5504 CE2 PHE E 223 6364 8062 5769 -2160 410 474 C +ATOM 5505 CZ PHE E 223 25.357 57.620 4.544 1.00 56.20 C +ANISOU 5505 CZ PHE E 223 7023 8096 6235 -2209 298 635 C +ATOM 5506 N GLU E 224 23.865 53.980 1.221 1.00 58.58 N +ANISOU 5506 N GLU E 224 7074 9067 6117 -1797 496 405 N +ATOM 5507 CA GLU E 224 24.748 54.019 0.063 1.00 58.61 C +ANISOU 5507 CA GLU E 224 6975 9406 5888 -2010 613 423 C +ATOM 5508 C GLU E 224 25.391 55.389 -0.088 1.00 64.41 C +ANISOU 5508 C GLU E 224 7757 10143 6573 -2314 595 627 C +ATOM 5509 O GLU E 224 24.708 56.409 -0.019 1.00 66.78 O +ANISOU 5509 O GLU E 224 8266 10175 6933 -2388 474 832 O +ATOM 5510 CB GLU E 224 23.981 53.664 -1.212 1.00 57.87 C +ANISOU 5510 CB GLU E 224 6955 9429 5604 -2039 615 470 C +ATOM 5511 CG GLU E 224 24.827 53.724 -2.474 1.00 63.76 C +ANISOU 5511 CG GLU E 224 7605 10546 6074 -2273 743 491 C +ATOM 5512 CD GLU E 224 24.044 53.366 -3.720 1.00 67.77 C +ANISOU 5512 CD GLU E 224 8197 11185 6367 -2318 736 532 C +ATOM 5513 OE1 GLU E 224 22.891 52.906 -3.588 1.00 71.31 O +ANISOU 5513 OE1 GLU E 224 8748 11462 6884 -2156 639 513 O +ATOM 5514 OE2 GLU E 224 24.581 53.545 -4.834 1.00 69.33 O +ANISOU 5514 OE2 GLU E 224 8349 11685 6309 -2537 827 584 O +ATOM 5515 N ILE E 225 26.703 55.410 -0.294 1.00 66.91 N +ANISOU 5515 N ILE E 225 7883 10765 6776 -2488 716 574 N +ATOM 5516 CA ILE E 225 27.421 56.664 -0.480 1.00 71.65 C +ANISOU 5516 CA ILE E 225 8521 11406 7298 -2840 708 766 C +ATOM 5517 C ILE E 225 28.422 56.561 -1.633 1.00 73.82 C +ANISOU 5517 C ILE E 225 8609 12144 7295 -3082 861 773 C +ATOM 5518 O ILE E 225 29.058 55.524 -1.830 1.00 70.86 O +ANISOU 5518 O ILE E 225 7991 12094 6839 -2952 1002 562 O +ATOM 5519 CB ILE E 225 28.147 57.092 0.818 1.00 74.67 C +ANISOU 5519 CB ILE E 225 8842 11686 7845 -2885 679 717 C +ATOM 5520 CG1 ILE E 225 28.791 58.469 0.647 1.00 76.98 C +ANISOU 5520 CG1 ILE E 225 9231 11964 8055 -3299 652 926 C +ATOM 5521 CG2 ILE E 225 29.178 56.052 1.239 1.00 76.76 C +ANISOU 5521 CG2 ILE E 225 8778 12282 8104 -2750 801 479 C +ATOM 5522 CD1 ILE E 225 29.577 58.924 1.846 1.00 75.54 C +ANISOU 5522 CD1 ILE E 225 8987 11725 7991 -3411 622 872 C +ATOM 5523 N THR E 226 28.544 57.641 -2.400 1.00 77.57 N +ANISOU 5523 N THR E 226 9211 12646 7615 -3426 837 1021 N +ATOM 5524 CA THR E 226 29.444 57.683 -3.548 1.00 78.08 C +ANISOU 5524 CA THR E 226 9115 13169 7383 -3709 981 1065 C +ATOM 5525 C THR E 226 30.191 59.012 -3.610 1.00 77.69 C +ANISOU 5525 C THR E 226 9145 13078 7296 -4066 916 1259 C +ATOM 5526 O THR E 226 29.996 59.883 -2.764 1.00 76.12 O +ANISOU 5526 O THR E 226 9134 12531 7259 -4167 803 1382 O +ATOM 5527 CB THR E 226 28.685 57.476 -4.873 1.00 80.31 C +ANISOU 5527 CB THR E 226 9510 13548 7456 -3724 987 1155 C +ATOM 5528 OG1 THR E 226 27.537 58.332 -4.907 1.00 83.28 O +ANISOU 5528 OG1 THR E 226 10209 13518 7916 -3744 802 1408 O +ATOM 5529 CG2 THR E 226 28.238 56.027 -5.018 1.00 78.18 C +ANISOU 5529 CG2 THR E 226 9136 13383 7187 -3373 1059 885 C +ATOM 5530 N SER E 227 31.051 59.158 -4.613 1.00 81.20 N +ANISOU 5530 N SER E 227 9466 13854 7532 -4239 974 1263 N +ATOM 5531 CA SER E 227 31.784 60.402 -4.821 1.00 82.44 C +ANISOU 5531 CA SER E 227 9711 13990 7624 -4583 901 1437 C +ATOM 5532 C SER E 227 31.284 61.132 -6.062 1.00 85.24 C +ANISOU 5532 C SER E 227 10294 14276 7818 -4763 825 1673 C +ATOM 5533 O SER E 227 31.301 62.362 -6.119 1.00 89.34 O +ANISOU 5533 O SER E 227 11050 14552 8345 -5009 708 1893 O +ATOM 5534 CB SER E 227 33.284 60.129 -4.942 1.00 84.69 C +ANISOU 5534 CB SER E 227 9658 14737 7782 -4683 1014 1282 C +ATOM 5535 OG SER E 227 33.768 59.433 -3.807 1.00 83.09 O +ANISOU 5535 OG SER E 227 9225 14619 7726 -4488 1071 1075 O +TER 5536 SER E 227 +ATOM 5537 P DC F 4 18.692 31.033 19.646 1.00119.46 P +ANISOU 5537 P DC F 4 15670 11391 18328 3089 2213 3952 P +ATOM 5538 OP1 DC F 4 18.365 31.194 18.214 1.00116.13 O +ANISOU 5538 OP1 DC F 4 15242 10653 18230 2854 1935 3427 O +ATOM 5539 OP2 DC F 4 18.587 29.702 20.282 1.00125.77 O +ANISOU 5539 OP2 DC F 4 16803 11608 19374 3442 2441 4400 O +ATOM 5540 O5' DC F 4 20.180 31.565 19.890 1.00137.29 O +ANISOU 5540 O5' DC F 4 17715 14685 19763 3490 2123 3960 O +ATOM 5541 C5' DC F 4 20.541 32.093 21.157 1.00135.65 C +ANISOU 5541 C5' DC F 4 17322 15140 19077 3551 2313 4293 C +ATOM 5542 C4' DC F 4 21.796 32.947 21.070 1.00131.62 C +ANISOU 5542 C4' DC F 4 16516 15647 17845 3742 2158 4102 C +ATOM 5543 O4' DC F 4 22.929 32.126 20.667 1.00135.62 O +ANISOU 5543 O4' DC F 4 17160 16305 18063 4359 2053 4096 O +ATOM 5544 C3' DC F 4 21.735 34.074 20.049 1.00126.00 C +ANISOU 5544 C3' DC F 4 15563 15203 17110 3314 1898 3588 C +ATOM 5545 O3' DC F 4 21.176 35.242 20.640 1.00123.20 O +ANISOU 5545 O3' DC F 4 14939 15161 16712 2828 1967 3569 O +ATOM 5546 C2' DC F 4 23.212 34.264 19.715 1.00125.81 C +ANISOU 5546 C2' DC F 4 15392 15981 16430 3724 1740 3432 C +ATOM 5547 C1' DC F 4 23.702 32.821 19.702 1.00133.38 C +ANISOU 5547 C1' DC F 4 16663 16578 17437 4339 1784 3648 C +ATOM 5548 N1 DC F 4 23.579 32.144 18.360 1.00137.48 N +ANISOU 5548 N1 DC F 4 17383 16512 18341 4406 1574 3320 N +ATOM 5549 C2 DC F 4 24.490 32.462 17.348 1.00137.85 C +ANISOU 5549 C2 DC F 4 17285 17057 18034 4539 1315 2920 C +ATOM 5550 O2 DC F 4 25.369 33.301 17.573 1.00136.31 O +ANISOU 5550 O2 DC F 4 16808 17749 17236 4576 1271 2849 O +ATOM 5551 N3 DC F 4 24.377 31.852 16.141 1.00138.65 N +ANISOU 5551 N3 DC F 4 17543 16675 18461 4606 1124 2603 N +ATOM 5552 C4 DC F 4 23.416 30.953 15.933 1.00139.52 C +ANISOU 5552 C4 DC F 4 17944 15826 19240 4550 1181 2662 C +ATOM 5553 N4 DC F 4 23.349 30.378 14.726 1.00140.61 N +ANISOU 5553 N4 DC F 4 18206 15543 19677 4627 981 2306 N +ATOM 5554 C5 DC F 4 22.480 30.606 16.953 1.00139.94 C +ANISOU 5554 C5 DC F 4 18158 15333 19681 4400 1451 3076 C +ATOM 5555 C6 DC F 4 22.600 31.216 18.141 1.00139.59 C +ANISOU 5555 C6 DC F 4 17955 15797 19286 4337 1641 3401 C +ATOM 5556 P DC F 5 20.597 36.422 19.710 1.00111.90 P +ANISOU 5556 P DC F 5 13307 13729 15482 2238 1737 3106 P +ATOM 5557 OP1 DC F 5 20.384 37.606 20.571 1.00109.16 O +ANISOU 5557 OP1 DC F 5 12650 13898 14927 1894 1826 3137 O +ATOM 5558 OP2 DC F 5 19.468 35.868 18.931 1.00111.96 O +ANISOU 5558 OP2 DC F 5 13543 12806 16191 1990 1679 2967 O +ATOM 5559 O5' DC F 5 21.796 36.728 18.695 1.00109.36 O +ANISOU 5559 O5' DC F 5 12879 13963 14709 2449 1470 2778 O +ATOM 5560 C5' DC F 5 22.667 37.818 18.945 1.00105.98 C +ANISOU 5560 C5' DC F 5 12128 14448 13693 2401 1412 2671 C +ATOM 5561 C4' DC F 5 23.808 37.845 17.945 1.00105.35 C +ANISOU 5561 C4' DC F 5 11993 14822 13215 2650 1184 2391 C +ATOM 5562 O4' DC F 5 24.100 36.498 17.498 1.00111.04 O +ANISOU 5562 O4' DC F 5 13002 15130 14060 3129 1166 2448 O +ATOM 5563 C3' DC F 5 23.527 38.593 16.663 1.00102.57 C +ANISOU 5563 C3' DC F 5 11562 14390 13021 2232 916 1978 C +ATOM 5564 O3' DC F 5 23.705 39.993 16.864 1.00 98.87 O +ANISOU 5564 O3' DC F 5 10777 14524 12264 1855 864 1850 O +ATOM 5565 C2' DC F 5 24.605 38.016 15.748 1.00106.69 C +ANISOU 5565 C2' DC F 5 12139 15175 13223 2647 751 1792 C +ATOM 5566 C1' DC F 5 24.672 36.558 16.199 1.00113.11 C +ANISOU 5566 C1' DC F 5 13237 15548 14190 3177 904 2071 C +ATOM 5567 N1 DC F 5 23.942 35.631 15.284 1.00118.05 N +ANISOU 5567 N1 DC F 5 14149 15305 15399 3189 811 1939 N +ATOM 5568 C2 DC F 5 24.536 35.255 14.071 1.00119.52 C +ANISOU 5568 C2 DC F 5 14376 15549 15489 3397 584 1614 C +ATOM 5569 O2 DC F 5 25.658 35.693 13.788 1.00116.84 O +ANISOU 5569 O2 DC F 5 13837 15985 14573 3562 473 1458 O +ATOM 5570 N3 DC F 5 23.864 34.420 13.242 1.00121.89 N +ANISOU 5570 N3 DC F 5 14912 15075 16324 3407 495 1457 N +ATOM 5571 C4 DC F 5 22.655 33.970 13.583 1.00120.87 C +ANISOU 5571 C4 DC F 5 14979 14133 16814 3203 630 1617 C +ATOM 5572 N4 DC F 5 22.032 33.148 12.733 1.00119.93 N +ANISOU 5572 N4 DC F 5 15073 13274 17220 3212 537 1423 N +ATOM 5573 C5 DC F 5 22.032 34.344 14.811 1.00120.09 C +ANISOU 5573 C5 DC F 5 14844 13968 16815 2975 869 1962 C +ATOM 5574 C6 DC F 5 22.704 35.170 15.622 1.00119.03 C +ANISOU 5574 C6 DC F 5 14471 14615 16139 2983 947 2109 C +ATOM 5575 P DC F 6 22.986 41.053 15.891 1.00 91.25 P +ANISOU 5575 P DC F 6 9715 13371 11585 1259 635 1520 P +ATOM 5576 OP1 DC F 6 23.443 42.406 16.276 1.00 90.46 O +ANISOU 5576 OP1 DC F 6 9288 13983 11099 979 610 1438 O +ATOM 5577 OP2 DC F 6 21.539 40.742 15.884 1.00 88.22 O +ANISOU 5577 OP2 DC F 6 9508 12123 11887 983 679 1560 O +ATOM 5578 O5' DC F 6 23.566 40.697 14.442 1.00113.20 O +ANISOU 5578 O5' DC F 6 12583 16168 14260 1407 386 1234 O +ATOM 5579 C5' DC F 6 24.937 40.946 14.135 1.00109.58 C +ANISOU 5579 C5' DC F 6 11959 16507 13169 1644 300 1116 C +ATOM 5580 C4' DC F 6 25.194 40.763 12.653 1.00107.69 C +ANISOU 5580 C4' DC F 6 11785 16210 12924 1648 45 804 C +ATOM 5581 O4' DC F 6 25.212 39.350 12.333 1.00110.22 O +ANISOU 5581 O4' DC F 6 12367 16068 13444 2099 59 826 O +ATOM 5582 C3' DC F 6 24.125 41.349 11.759 1.00106.13 C +ANISOU 5582 C3' DC F 6 11624 15520 13182 1132 -139 600 C +ATOM 5583 O3' DC F 6 24.405 42.721 11.535 1.00106.02 O +ANISOU 5583 O3' DC F 6 11360 16034 12887 732 -257 471 O +ATOM 5584 C2' DC F 6 24.288 40.523 10.486 1.00106.28 C +ANISOU 5584 C2' DC F 6 11802 15298 13281 1347 -321 364 C +ATOM 5585 C1' DC F 6 24.656 39.144 11.044 1.00110.92 C +ANISOU 5585 C1' DC F 6 12576 15689 13879 1930 -153 548 C +ATOM 5586 N1 DC F 6 23.492 38.200 11.156 1.00114.48 N +ANISOU 5586 N1 DC F 6 13303 15188 15006 1949 -68 645 N +ATOM 5587 C2 DC F 6 23.100 37.453 10.038 1.00115.52 C +ANISOU 5587 C2 DC F 6 13609 14795 15489 2013 -227 397 C +ATOM 5588 O2 DC F 6 23.722 37.585 8.978 1.00117.72 O +ANISOU 5588 O2 DC F 6 13809 15428 15492 2063 -439 110 O +ATOM 5589 N3 DC F 6 22.049 36.602 10.150 1.00115.22 N +ANISOU 5589 N3 DC F 6 13808 13892 16080 2007 -140 467 N +ATOM 5590 C4 DC F 6 21.404 36.487 11.311 1.00113.40 C +ANISOU 5590 C4 DC F 6 13646 13333 16109 1934 100 789 C +ATOM 5591 N4 DC F 6 20.373 35.636 11.372 1.00114.36 N +ANISOU 5591 N4 DC F 6 13996 12602 16854 1902 191 847 N +ATOM 5592 C5 DC F 6 21.787 37.238 12.462 1.00111.39 C +ANISOU 5592 C5 DC F 6 13212 13630 15481 1879 264 1053 C +ATOM 5593 C6 DC F 6 22.826 38.073 12.341 1.00112.41 C +ANISOU 5593 C6 DC F 6 13104 14601 15007 1894 169 959 C +ATOM 5594 P DC F 7 23.209 43.789 11.463 1.00 71.98 P +ANISOU 5594 P DC F 7 6994 11348 9007 125 -342 412 P +ATOM 5595 OP1 DC F 7 23.789 45.128 11.703 1.00 69.82 O +ANISOU 5595 OP1 DC F 7 6442 11746 8342 -166 -380 372 O +ATOM 5596 OP2 DC F 7 22.120 43.293 12.334 1.00 78.20 O +ANISOU 5596 OP2 DC F 7 7915 11496 10300 107 -157 606 O +ATOM 5597 O5' DC F 7 22.706 43.701 9.948 1.00 86.83 O +ANISOU 5597 O5' DC F 7 9001 12831 11161 -56 -613 145 O +ATOM 5598 C5' DC F 7 23.539 44.168 8.894 1.00 84.28 C +ANISOU 5598 C5' DC F 7 8573 13026 10425 -110 -820 -61 C +ATOM 5599 C4' DC F 7 23.082 43.601 7.565 1.00 84.07 C +ANISOU 5599 C4' DC F 7 8711 12566 10664 -105 -1030 -288 C +ATOM 5600 O4' DC F 7 23.055 42.160 7.644 1.00 89.37 O +ANISOU 5600 O4' DC F 7 9585 12848 11523 354 -929 -262 O +ATOM 5601 C3' DC F 7 21.670 43.973 7.163 1.00 76.19 C +ANISOU 5601 C3' DC F 7 7799 10894 10256 -516 -1153 -368 C +ATOM 5602 O3' DC F 7 21.654 45.249 6.545 1.00 67.98 O +ANISOU 5602 O3' DC F 7 6615 10138 9078 -947 -1354 -472 O +ATOM 5603 C2' DC F 7 21.323 42.864 6.174 1.00 80.37 C +ANISOU 5603 C2' DC F 7 8524 10952 11060 -298 -1265 -561 C +ATOM 5604 C1' DC F 7 22.072 41.657 6.754 1.00 88.80 C +ANISOU 5604 C1' DC F 7 9684 12097 11959 256 -1070 -444 C +ATOM 5605 N1 DC F 7 21.188 40.726 7.511 1.00 95.60 N +ANISOU 5605 N1 DC F 7 10741 12228 13356 394 -877 -288 N +ATOM 5606 C2 DC F 7 20.615 39.629 6.860 1.00100.18 C +ANISOU 5606 C2 DC F 7 11527 12173 14365 562 -930 -441 C +ATOM 5607 O2 DC F 7 20.852 39.450 5.658 1.00100.65 O +ANISOU 5607 O2 DC F 7 11592 12313 14339 612 -1145 -722 O +ATOM 5608 N3 DC F 7 19.812 38.794 7.565 1.00103.32 N +ANISOU 5608 N3 DC F 7 12103 11894 15260 654 -739 -283 N +ATOM 5609 C4 DC F 7 19.581 39.024 8.859 1.00102.78 C +ANISOU 5609 C4 DC F 7 12008 11807 15236 592 -505 25 C +ATOM 5610 N4 DC F 7 18.784 38.173 9.514 1.00104.04 N +ANISOU 5610 N4 DC F 7 12348 11305 15879 666 -310 193 N +ATOM 5611 C5 DC F 7 20.157 40.136 9.540 1.00100.37 C +ANISOU 5611 C5 DC F 7 11480 12174 14483 441 -456 165 C +ATOM 5612 C6 DC F 7 20.946 40.952 8.835 1.00 97.41 C +ANISOU 5612 C6 DC F 7 10935 12427 13649 343 -646 -4 C +TER 5613 DC F 7 +HETATM 5614 O HOH A 301 4.489 52.729 4.732 1.00 51.97 O +HETATM 5615 O HOH A 302 6.587 51.228 5.441 1.00 37.52 O +HETATM 5616 O HOH A 303 -18.395 42.025 1.478 1.00 48.84 O +HETATM 5617 O HOH A 304 14.981 57.151 -1.065 1.00 65.79 O +HETATM 5618 O HOH A 305 17.172 49.426 -12.762 1.00 65.71 O +HETATM 5619 O HOH A 306 18.053 34.816 -10.758 1.00 67.37 O +HETATM 5620 O HOH A 307 2.849 32.725 -17.632 1.00 58.68 O +HETATM 5621 O HOH A 308 11.052 52.492 -5.645 1.00 42.23 O +HETATM 5622 O HOH A 309 19.890 45.316 -12.678 1.00 64.38 O +HETATM 5623 O HOH A 310 13.497 54.623 3.650 1.00 44.83 O +HETATM 5624 O HOH A 311 9.936 55.377 -5.026 1.00 49.16 O +HETATM 5625 O HOH A 312 19.972 35.591 -17.122 1.00 58.77 O +HETATM 5626 O HOH B 101 -1.399 39.082 0.802 1.00 47.10 O +HETATM 5627 O HOH C 301 11.284 46.446 18.334 1.00 47.33 O +HETATM 5628 O HOH C 302 -7.437 56.347 15.838 1.00 56.26 O +HETATM 5629 O HOH C 303 13.256 43.489 19.904 1.00 63.45 O +HETATM 5630 O HOH C 304 11.612 41.905 34.301 1.00 53.45 O +HETATM 5631 O HOH C 305 0.680 36.558 36.223 1.00 61.50 O +HETATM 5632 O HOH C 306 6.816 51.549 42.457 1.00 45.50 O +HETATM 5633 O HOH C 307 -5.239 48.158 45.471 1.00 60.49 O +HETATM 5634 O HOH C 308 0.708 43.765 27.257 1.00 43.72 O +HETATM 5635 O HOH C 309 0.308 56.741 19.129 1.00 56.76 O +HETATM 5636 O HOH C 310 -3.049 36.904 42.865 1.00 54.52 O +HETATM 5637 O HOH C 311 6.596 43.034 22.126 1.00 35.05 O +HETATM 5638 O HOH C 312 -13.720 31.691 17.065 1.00 78.84 O +HETATM 5639 O HOH C 313 -25.477 42.427 19.620 1.00 76.88 O +HETATM 5640 O HOH C 314 -0.554 68.170 47.371 1.00 62.18 O +HETATM 5641 O HOH C 315 1.628 41.305 20.420 1.00 57.48 O +HETATM 5642 O HOH C 316 -13.106 56.550 13.136 1.00 46.54 O +HETATM 5643 O HOH C 317 -14.487 57.793 31.343 1.00 50.56 O +HETATM 5644 O HOH C 318 -13.681 20.307 31.607 1.00 52.42 O +HETATM 5645 O HOH C 319 4.173 32.821 36.154 1.00 53.88 O +HETATM 5646 O HOH C 320 -5.693 57.759 17.452 1.00 51.95 O +HETATM 5647 O HOH D 101 5.477 34.844 34.302 1.00 63.00 O +HETATM 5648 O HOH E 301 14.729 56.546 2.417 1.00 57.16 O +HETATM 5649 O HOH E 302 6.918 44.049 8.525 1.00 63.43 O +HETATM 5650 O HOH E 303 19.641 43.973 33.830 1.00 45.91 O +HETATM 5651 O HOH E 304 19.104 55.957 35.144 1.00 46.20 O +HETATM 5652 O HOH E 305 17.216 37.515 1.889 1.00 56.73 O +HETATM 5653 O HOH E 306 33.989 58.048 26.613 1.00 55.00 O +HETATM 5654 O HOH E 307 12.767 59.909 21.797 1.00 50.41 O +HETATM 5655 O HOH E 308 25.129 43.587 38.129 1.00 40.05 O +HETATM 5656 O HOH E 309 14.374 58.871 39.321 1.00 63.51 O +HETATM 5657 O HOH E 310 22.048 57.393 28.694 1.00 41.86 O +HETATM 5658 O HOH E 311 17.800 58.689 27.252 1.00 46.15 O +HETATM 5659 O HOH E 312 8.756 57.023 25.222 1.00 47.43 O +HETATM 5660 O HOH E 313 25.361 61.656 21.657 1.00 52.91 O +HETATM 5661 O HOH E 314 7.674 56.415 19.678 1.00 39.04 O +HETATM 5662 O HOH E 315 38.277 50.628 9.727 1.00 63.22 O +HETATM 5663 O HOH E 316 22.180 61.380 21.902 1.00 46.97 O +HETATM 5664 O HOH E 317 18.836 38.504 34.933 1.00 58.60 O +HETATM 5665 O HOH E 318 13.265 42.025 11.843 1.00 45.38 O +HETATM 5666 O HOH E 319 38.945 50.685 16.302 1.00 39.47 O +HETATM 5667 O HOH E 320 40.461 43.740 22.793 1.00 58.25 O +HETATM 5668 O HOH E 321 36.668 55.657 11.287 1.00 60.90 O +HETATM 5669 O HOH E 322 30.428 61.900 19.449 1.00 52.72 O +HETATM 5670 O HOH E 323 19.901 37.647 2.066 1.00 53.29 O +HETATM 5671 O HOH E 324 38.039 53.389 10.074 1.00 54.91 O +HETATM 5672 O HOH E 325 22.778 42.602 38.390 1.00 53.84 O +MASTER 448 0 0 24 42 0 0 6 5666 6 0 57 +END diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/parsed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..d1ae435f21d58453375ab81fbaa7330908d746f1 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "DGINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLGKAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTYGKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVKASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVGAGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYKLGQAAFTATYNNAETAKKTSADNFAIDATYYFKPNFRSYISYQFNLLDS--ASKVASEDELAIGLRYDF", "coords_chain_A": {"N_chain_A": [[-19.25, 70.285, 67.383], [-22.694, 71.454, 67.625], [-22.833, 74.792, 66.716], [-20.334, 74.697, 65.652], [-19.99, 73.08, 63.223], [-18.38, 71.235, 61.881], [-16.999, 69.937, 63.889], [-16.42, 67.226, 66.215], [-19.128, 65.252, 67.576], [-20.554, 64.259, 70.833], [-20.165, 60.859, 71.74], [-21.731, 57.578, 71.832], [-23.072, 55.869, 74.609], [-21.754, 52.899, 75.695], [-21.142, 51.328, 77.801], [-22.048, 51.639, 81.138], [-21.826, 52.075, 84.473], [-21.924, 52.726, 87.78], [-21.011, 55.52, 88.384], [-18.998, 55.204, 86.398], [-18.166, 55.222, 82.891], [-18.209, 54.364, 79.341], [-17.869, 55.677, 76.211], [-18.419, 55.457, 72.808], [-17.624, 57.013, 69.937], [-17.407, 59.134, 67.099], [-17.231, 59.309, 63.482], [-18.658, 58.559, 60.251], [-17.908, 59.923, 57.391], [-18.746, 60.825, 54.391], [-17.301, 62.422, 51.632], [-17.199, 64.351, 48.824], [-15.049, 66.029, 46.802], [-14.894, 68.59, 44.369], [-12.965, 69.972, 41.967], [-12.229, 72.067, 39.327], [-13.881, 70.43, 37.829], [-13.134, 67.906, 38.49], [-13.092, 65.005, 40.446], [-12.349, 64.227, 43.866], [-12.097, 61.812, 46.46], [-12.633, 62.597, 49.626], [-13.43, 61.389, 51.883], [-13.816, 60.399, 55.246], [-13.339, 58.407, 58.203], [-13.844, 58.653, 61.627], [-13.01, 57.157, 64.776], [-13.621, 56.998, 68.174], [-13.03, 56.798, 71.678], [-14.043, 57.286, 74.863], [-13.521, 57.326, 78.124], [-14.765, 57.74, 81.42], [-14.413, 58.087, 84.87], [-15.924, 58.538, 87.835], [-14.678, 59.757, 90.689], [-15.125, 61.052, 93.108], [-17.68, 63.413, 94.167], [-16.264, 65.684, 93.448], [-14.325, 65.099, 91.726], [-12.872, 63.453, 88.91], [-11.583, 60.899, 86.698], [-10.288, 60.699, 83.388], [-10.01, 59.224, 80.117], [-8.946, 59.224, 76.708], [-9.152, 58.386, 73.307], [-8.722, 59.084, 69.832], [-8.968, 58.13, 66.519], [-8.367, 58.681, 62.997], [-9.336, 57.573, 59.834], [-8.751, 56.809, 56.468], [-9.126, 56.316, 52.857], [-7.291, 55.78, 49.81], [-7.572, 54.83, 47.049], [-7.177, 55.256, 44.267], [-8.282, 54.112, 42.024], [-7.84, 51.29, 42.094], [-8.667, 48.347, 43.984], [-7.286, 48.799, 46.676], [-4.951, 48.158, 49.339], [-5.337, 49.953, 52.259], [-3.587, 51.768, 54.447], [-4.062, 53.993, 56.229], [-3.886, 55.919, 58.874], [-4.488, 58.241, 61.466], [-3.611, 59.044, 64.628], [-5.307, 61.024, 66.366], [-5.859, 62.032, 68.895], [-4.498, 61.226, 72.057], [-4.766, 60.796, 75.25], [-4.748, 61.132, 78.873], [-6.365, 62.249, 81.866], [-7.341, 64.418, 84.648], [-10.137, 65.682, 86.249], [-12.311, 68.143, 87.753], [-14.387, 70.231, 89.883], [-12.774, 72.573, 89.455], [-11.798, 72.434, 86.839], [-10.218, 70.664, 84.124], [-7.356, 68.724, 83.568], [-5.018, 67.47, 81.378], [-2.551, 65.108, 79.949], [-0.668, 64.3, 77.092], [-1.447, 63.839, 73.558], [-3.527, 66.42, 72.832], [-5.948, 69.111, 72.509], [-4.679, 72.43, 72.434], [-5.084, 75.913, 73.531], [-6.318, 77.601, 71.597], [-8.192, 76.676, 69.745], [-10.912, 76.979, 70.668], [-11.253, 79.613, 70.274], [-10.825, 79.995, 67.524], [-13.101, 78.601, 66.822], [-15.122, 80.518, 66.971], [-15.589, 81.498, 64.347], [-15.324, 79.237, 62.785], [-17.603, 77.617, 61.516], [-18.639, 76.241, 59.359], [-19.622, 73.402, 57.398], [-17.631, 72.143, 55.804], [-15.831, 74.035, 54.487], [-14.233, 77.21, 55.253], [-12.401, 78.356, 58.212], [-9.842, 78.922, 57.126], [-8.104, 81.089, 57.481], [-6.896, 81.322, 59.939], [-4.585, 80.376, 61.292], [-3.267, 78.079, 63.561], [-0.582, 77.764, 65.736], [1.423, 74.908, 66.796], [1.289, 74.27, 69.685], [-0.908, 75.713, 70.395], [-2.892, 74.395, 69.058], [-3.139, 71.28, 68.481], [-1.278, 68.856, 69.98], [1.322, 66.712, 71.103], [3.19, 65.828, 74.155], [2.346, 67.605, 75.949], 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"SLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHESLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHE"} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/seqs/4GYT.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/seqs/4GYT.fa new file mode 100644 index 0000000000000000000000000000000000000000..2b9b817e2b9249bb7e17580a0a86f195cf6845de --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/seqs/4GYT.fa @@ -0,0 +1,6 @@ +>4GYT, score=1.6782, fixed_chains=[], designed_chains=['A', 'B'], model_name=v_48_020 +SLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHE/SLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHE +>T=0.2, sample=0, score=0.8880, seq_recovery=0.4463 +ELRLPPYEEFAAAIAVLQLPVSPSELAGLILGYLAAGKIDLGRAWIRSLLGGRTDAASQAALAALLEVFDILEEQLNNPELELELLLPPPDASLRERARALSEFARGFALGLELAGVDKESFKTEESKEAYERILELARLDASALREGPADRARLAELEEWLREAILQIHDDLVNHG/ELRLPPYEEFAAAIAVLQLPVSPSELAGLILGYLAAGKIDLGRAWIRSLLGGRTDAASQAALAALLEVFDILEEQLNNPELELELLLPPPDASLRERARALSEFARGFALGLELAGVDKESFKTEESKEAYERILELARLDASALREGPADRARLAELEEWLREAILQIHDDLVNHG +>T=0.2, sample=0, score=0.8673, seq_recovery=0.3898 +SLALPPYDEFAAAVAPLKLPFSASYLAGLILGFIVAGKLELGRAWIKSLAKGKTDAATQAAVAALLDVFEILTRQLNDSSLELELLLPPKDASLKERAKALSEFAKGFVEGLELAGVTEESFSKESSKKAYKEIKELAKMDVSKLKEGEEDEKELEEKKEWLKNSILEIHKDLKENK/SLALPPYDEFAAAVAPLKLPFSASYLAGLILGFIVAGKLELGRAWIKSLAKGKTDAATQAAVAALLDVFEILTRQLNDSSLELELLLPPKDASLKERAKALSEFAKGFVEGLELAGVTEESFSKESSKKAYKEIKELAKMDVSKLKEGEEDEKELEEKKEWLKNSILEIHKDLKENK diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/seqs/6EHB.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/seqs/6EHB.fa new file mode 100644 index 0000000000000000000000000000000000000000..ea916a8869d78df9146b6a388af422231ae05a6c --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/seqs/6EHB.fa @@ -0,0 +1,6 @@ +>6EHB, score=1.3507, fixed_chains=[], designed_chains=['A', 'B', 'C'], model_name=v_48_020 +DGINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLGKAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTYGKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVKASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVGAGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYKLGQAAFTATYNNAETAKKTSADNFAIDATYYFKPNFRSYISYQFNLLDSXXASKVASEDELAIGLRYDF/DGINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLGKAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTYGKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVKASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVGAGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYKLGQAAFTATYNNAETAKKTSADNFAIDATYYFKPNFRSYISYQFNLLDXXXASKVASEDELAIGLRYDF/DGINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLGKAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTYGKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVKASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVGAGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYKLGQAAFTATYNNAETAKKTSADNFAIDATYYFKPNFRSYISYQFNLLDSDKASKVASEDELAIGLRYDF +>T=0.2, sample=0, score=0.8934, seq_recovery=0.5435 +GGRNLSGPKPGQTVYSSNGSTLKIGGFADANLDIVDGKAKDNSKGRVSLLRTDKINDDLYGVGYIEVELTTNDNGTNAINNNLNVKKLYAGIGGKWGTVTYGKNDGALQIIADFTDIMPYGGNKAAPLIPVADNVDNTLSYSATYGDLTVRAAYQFATQVAVDSNGNVVDEENAAKYSDNGKDGWSASAVYDFGDSGWSVGAGAAKQGDQWAVAVAASYEKDNFYVAALYVAGDLAEGVPYAGLSLAASYKVGNTTYTVNYDVAFVDGKVSEDVLSYGVTYKFTDRFSTYVEYEDNLLDXXXASYVDSADVLRVGIRTDF/GGRNLSGPKPGQTVYSSNGSTLKIGGFADANLDIVDGKAKDNSKGRVSLLRTDKINDDLYGVGYIEVELTTNDNGTNAINNNLNVKKLYAGIGGKWGTVTYGKNDGALQIIADFTDIMPYGGNKAAPLIPVADNVDNTLSYSATYGDLTVRAAYQFATQVAVDSNGNVVDEENAAKYSDNGKDGWSASAVYDFGDSGWSVGAGAAKQGDQWAVAVAASYEKDNFYVAALYVAGDLAEGVPYAGLSLAASYKVGNTTYTVNYDVAFVDGKVSEDVLSYGVTYKFTDRFSTYVEYEDNLLDXXXASYVDSADVLRVGIRTDF/GGRNLSGPKPGQTVYSSNGSTLKIGGFADANLDIVDGKAKDNSKGRVSLLRTDKINDDLYGVGYIEVELTTNDNGTNAINNNLNVKKLYAGIGGKWGTVTYGKNDGALQIIADFTDIMPYGGNKAAPLIPVADNVDNTLSYSATYGDLTVRAAYQFATQVAVDSNGNVVDEENAAKYSDNGKDGWSASAVYDFGDSGWSVGAGAAKQGDQWAVAVAASYEKDNFYVAALYVAGDLAEGVPYAGLSLAASYKVGNTTYTVNYDVAFVDGKVSEDVLSYGVTYKFTDRFSTYVEYEDNLLDXXXASYVDSADVLRVGIRTDF +>T=0.2, sample=0, score=0.8911, seq_recovery=0.5497 +GGLNLSSPKAGKTVYESGGSTLELGGRADAILKVVDGKFEDKSYGTVSLLKTDQINDDLYGTGYVELEFTVNDNGTNAVNNNLNNVKLYAGIGGKWGTVTYGKNDGALKPIRDFTDIMPYGGNRAAPLIPVADNIDNTLSYSATYGNLSVRASYRFANRIYVDENGNVVAKEEAARVSDNGNDGWSASAIYDFGDTGISVGAGAAHQGDQWQVALAASYKKDNFYVAALLTAGQLAKDVPYLGLSLAASYDFGNWRFTASYDLALVDGKVSEDRLTYGVTYDFTPNFSVSVEYTDNLLDXXXSSYVDSLDELVLGVRTDF/GGLNLSSPKAGKTVYESGGSTLELGGRADAILKVVDGKFEDKSYGTVSLLKTDQINDDLYGTGYVELEFTVNDNGTNAVNNNLNNVKLYAGIGGKWGTVTYGKNDGALKPIRDFTDIMPYGGNRAAPLIPVADNIDNTLSYSATYGNLSVRASYRFANRIYVDENGNVVAKEEAARVSDNGNDGWSASAIYDFGDTGISVGAGAAHQGDQWQVALAASYKKDNFYVAALLTAGQLAKDVPYLGLSLAASYDFGNWRFTASYDLALVDGKVSEDRLTYGVTYDFTPNFSVSVEYTDNLLDXXXSSYVDSLDELVLGVRTDF/GGLNLSSPKAGKTVYESGGSTLELGGRADAILKVVDGKFEDKSYGTVSLLKTDQINDDLYGTGYVELEFTVNDNGTNAVNNNLNNVKLYAGIGGKWGTVTYGKNDGALKPIRDFTDIMPYGGNRAAPLIPVADNIDNTLSYSATYGNLSVRASYRFANRIYVDENGNVVAKEEAARVSDNGNDGWSASAIYDFGDTGISVGAGAAHQGDQWQVALAASYKKDNFYVAALLTAGQLAKDVPYLGLSLAASYDFGNWRFTASYDLALVDGKVSEDRLTYGVTYDFTPNFSVSVEYTDNLLDXXXSSYVDSLDELVLGVRTDF diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/tied_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/tied_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..5e7d02b3f132a50fb48f8e879d02a4551ed52a75 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/example_6_outputs/tied_pdbs.jsonl @@ -0,0 +1 @@ +{"6EHB": [{"A": [1], "B": [1], "C": [1]}, {"A": [2], "B": [2], "C": [2]}, {"A": [3], "B": [3], "C": [3]}, {"A": [4], "B": [4], "C": [4]}, {"A": [5], "B": [5], "C": [5]}, {"A": [6], "B": [6], "C": [6]}, {"A": [7], "B": [7], "C": [7]}, {"A": [8], "B": [8], "C": [8]}, {"A": [9], "B": [9], "C": [9]}, {"A": [10], "B": [10], "C": [10]}, {"A": [11], "B": [11], "C": [11]}, {"A": [12], "B": [12], "C": [12]}, {"A": [13], "B": [13], "C": [13]}, {"A": [14], "B": [14], "C": [14]}, {"A": [15], "B": [15], "C": [15]}, {"A": [16], "B": [16], "C": [16]}, {"A": [17], "B": [17], "C": [17]}, {"A": [18], "B": 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+1,6477 @@ +HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-SEP-12 4GYT +TITLE CRYSTAL STRUCTURE OF LPG0076 PROTEIN FROM LEGIONELLA PNEUMOPHILA +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; +COMPND 3 CHAIN: A, B; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPHILA; +SOURCE 3 ORGANISM_TAXID: 272624; +SOURCE 4 STRAIN: STR. PHILADELPHIA 1; +SOURCE 5 GENE: LPG0076; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL; +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: P15TV LIC +KEYWDS STRUCTURAL GENOMICS, PSI-BIOLOGY, MIDWEST CENTER FOR STRUCTURAL +KEYWDS 2 GENOMICS, MCSG, PREDICTED LEGIONELLA EFFECTOR, UNKNOWN FUNCTION +EXPDTA X-RAY DIFFRACTION +AUTHOR K.MICHALSKA,X.XU,H.CUI,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST CENTER FOR +AUTHOR 2 STRUCTURAL GENOMICS (MCSG) +REVDAT 1 26-SEP-12 4GYT 0 +JRNL AUTH K.MICHALSKA,X.XU,H.CUI,A.SAVCHENKO,A.JOACHIMIAK +JRNL TITL CRYSTAL STRUCTURE OF LPG0076 PROTEIN FROM LEGIONELLA +JRNL TITL 2 PNEUMOPHILA +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 2.05 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: DEV_1096) +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- +REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, +REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL +REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE +REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM +REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, +REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER +REMARK 3 : ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : ML +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.05 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.79 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 96.4 +REMARK 3 NUMBER OF REFLECTIONS : 28862 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.171 +REMARK 3 R VALUE (WORKING SET) : 0.169 +REMARK 3 FREE R VALUE : 0.213 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.040 +REMARK 3 FREE R VALUE TEST SET COUNT : 1454 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 28.7913 - 4.4058 0.93 2839 137 0.1564 0.1910 +REMARK 3 2 4.4058 - 3.4989 0.95 2744 157 0.1461 0.1677 +REMARK 3 3 3.4989 - 3.0572 0.96 2733 132 0.1782 0.2461 +REMARK 3 4 3.0572 - 2.7779 0.96 2726 151 0.2019 0.2717 +REMARK 3 5 2.7779 - 2.5790 0.97 2752 134 0.1913 0.2229 +REMARK 3 6 2.5790 - 2.4270 0.97 2739 149 0.1725 0.2542 +REMARK 3 7 2.4270 - 2.3055 0.98 2732 156 0.1731 0.2340 +REMARK 3 8 2.3055 - 2.2052 0.98 2736 141 0.1875 0.2357 +REMARK 3 9 2.2052 - 2.1203 0.98 2741 148 0.2013 0.2412 +REMARK 3 10 2.1203 - 2.0472 0.96 2666 149 0.2091 0.2548 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : NULL +REMARK 3 B_SOL : NULL +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.160 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.480 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 38.50 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.012 2918 +REMARK 3 ANGLE : 1.203 3942 +REMARK 3 CHIRALITY : 0.069 426 +REMARK 3 PLANARITY : 0.005 530 +REMARK 3 DIHEDRAL : 17.342 1082 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 14 +REMARK 3 TLS GROUP : 1 +REMARK 3 SELECTION: (chain A and resid 7:52) +REMARK 3 ORIGIN FOR THE GROUP (A): 17.0075 29.2838 18.4421 +REMARK 3 T TENSOR +REMARK 3 T11: 0.2370 T22: 0.2503 +REMARK 3 T33: 0.2094 T12: -0.0487 +REMARK 3 T13: -0.0225 T23: -0.0085 +REMARK 3 L TENSOR +REMARK 3 L11: 3.6434 L22: 3.4026 +REMARK 3 L33: 3.1631 L12: -0.4273 +REMARK 3 L13: 0.4509 L23: -0.4846 +REMARK 3 S TENSOR +REMARK 3 S11: 0.1267 S12: -0.1192 S13: 0.1346 +REMARK 3 S21: -0.0557 S22: -0.2343 S23: -0.3324 +REMARK 3 S31: -0.2131 S32: 0.3723 S33: -0.0131 +REMARK 3 TLS GROUP : 2 +REMARK 3 SELECTION: (chain A and resid 53:65) +REMARK 3 ORIGIN FOR THE GROUP (A): 24.6148 17.4755 22.9323 +REMARK 3 T TENSOR +REMARK 3 T11: 0.3025 T22: 0.5398 +REMARK 3 T33: 0.6538 T12: 0.1097 +REMARK 3 T13: -0.0560 T23: 0.0720 +REMARK 3 L TENSOR +REMARK 3 L11: 0.2970 L22: 0.7637 +REMARK 3 L33: 0.5432 L12: -0.1945 +REMARK 3 L13: 0.1779 L23: 0.4001 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1435 S12: -0.6125 S13: -0.8297 +REMARK 3 S21: 0.8875 S22: 0.3447 S23: -0.5910 +REMARK 3 S31: 0.3355 S32: 0.4719 S33: 0.0498 +REMARK 3 TLS GROUP : 3 +REMARK 3 SELECTION: (chain A and resid 66:91) +REMARK 3 ORIGIN FOR THE GROUP (A): 13.2306 34.6090 24.9391 +REMARK 3 T TENSOR +REMARK 3 T11: 0.3021 T22: 0.3011 +REMARK 3 T33: 0.2361 T12: -0.0369 +REMARK 3 T13: -0.0665 T23: -0.0415 +REMARK 3 L TENSOR +REMARK 3 L11: 1.4434 L22: 0.6326 +REMARK 3 L33: 1.3499 L12: 0.4810 +REMARK 3 L13: -0.2001 L23: -0.4450 +REMARK 3 S TENSOR +REMARK 3 S11: -0.0314 S12: -0.3406 S13: 0.2243 +REMARK 3 S21: 0.2615 S22: -0.0443 S23: -0.1723 +REMARK 3 S31: -0.4463 S32: 0.0962 S33: -0.0001 +REMARK 3 TLS GROUP : 4 +REMARK 3 SELECTION: (chain A and resid 92:116) +REMARK 3 ORIGIN FOR THE GROUP (A): 17.0014 37.0936 8.0537 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4034 T22: 0.3163 +REMARK 3 T33: 0.2841 T12: 0.0079 +REMARK 3 T13: 0.0337 T23: 0.0173 +REMARK 3 L TENSOR +REMARK 3 L11: 2.0753 L22: 1.4131 +REMARK 3 L33: 3.0991 L12: -1.2614 +REMARK 3 L13: -0.9561 L23: -0.7650 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0609 S12: 0.3159 S13: 0.2413 +REMARK 3 S21: -0.4117 S22: -0.1605 S23: -0.2562 +REMARK 3 S31: -0.2265 S32: 0.2318 S33: 0.0009 +REMARK 3 TLS GROUP : 5 +REMARK 3 SELECTION: (chain A and resid 117:150) +REMARK 3 ORIGIN FOR THE GROUP (A): 1.7765 33.0164 7.0913 +REMARK 3 T TENSOR +REMARK 3 T11: 0.5009 T22: 0.4625 +REMARK 3 T33: 0.3607 T12: 0.0235 +REMARK 3 T13: -0.1805 T23: -0.0767 +REMARK 3 L TENSOR +REMARK 3 L11: 2.1409 L22: 4.3946 +REMARK 3 L33: 2.9582 L12: -0.4909 +REMARK 3 L13: 1.1992 L23: 0.7047 +REMARK 3 S TENSOR +REMARK 3 S11: -0.0379 S12: 0.7378 S13: -0.1444 +REMARK 3 S21: -0.7791 S22: -0.1011 S23: 0.5319 +REMARK 3 S31: -0.2140 S32: -0.5074 S33: 0.0130 +REMARK 3 TLS GROUP : 6 +REMARK 3 SELECTION: (chain A and resid 151:173) +REMARK 3 ORIGIN FOR THE GROUP (A): 10.7275 45.8548 6.5921 +REMARK 3 T TENSOR +REMARK 3 T11: 0.6001 T22: 0.3905 +REMARK 3 T33: 0.4486 T12: 0.0890 +REMARK 3 T13: -0.0052 T23: 0.0592 +REMARK 3 L TENSOR +REMARK 3 L11: 1.7378 L22: 1.1905 +REMARK 3 L33: 1.1717 L12: 0.2104 +REMARK 3 L13: 0.9854 L23: 0.9505 +REMARK 3 S TENSOR +REMARK 3 S11: 0.2850 S12: 0.5882 S13: 0.6906 +REMARK 3 S21: -0.2869 S22: -0.0465 S23: -0.0740 +REMARK 3 S31: -1.2190 S32: -0.0939 S33: 0.0021 +REMARK 3 TLS GROUP : 7 +REMARK 3 SELECTION: (chain A and resid 174:183) +REMARK 3 ORIGIN FOR THE GROUP (A): -4.0196 34.3408 20.2922 +REMARK 3 T TENSOR +REMARK 3 T11: 0.2882 T22: 0.2930 +REMARK 3 T33: 0.3740 T12: -0.0191 +REMARK 3 T13: -0.0906 T23: -0.0616 +REMARK 3 L TENSOR +REMARK 3 L11: 0.6394 L22: 0.6081 +REMARK 3 L33: 0.5902 L12: -0.6125 +REMARK 3 L13: -0.5772 L23: 0.4475 +REMARK 3 S TENSOR +REMARK 3 S11: 0.2012 S12: 0.3773 S13: -0.0266 +REMARK 3 S21: -0.0457 S22: -0.1713 S23: 0.5822 +REMARK 3 S31: -0.1718 S32: -0.5308 S33: 0.0043 +REMARK 3 TLS GROUP : 8 +REMARK 3 SELECTION: (chain B and resid 7:27) +REMARK 3 ORIGIN FOR THE GROUP (A): 8.9649 2.5347 2.1726 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4461 T22: 0.6015 +REMARK 3 T33: 0.3097 T12: -0.0656 +REMARK 3 T13: 0.0546 T23: -0.0311 +REMARK 3 L TENSOR +REMARK 3 L11: 2.3069 L22: 1.7647 +REMARK 3 L33: 2.2857 L12: -0.9881 +REMARK 3 L13: 0.9217 L23: 0.4212 +REMARK 3 S TENSOR +REMARK 3 S11: -0.0791 S12: 1.1177 S13: -0.8398 +REMARK 3 S21: -0.4831 S22: 0.1033 S23: -0.7032 +REMARK 3 S31: 0.5915 S32: 0.7137 S33: 0.0210 +REMARK 3 TLS GROUP : 9 +REMARK 3 SELECTION: (chain B and resid 28:52) +REMARK 3 ORIGIN FOR THE GROUP (A): 7.0326 9.0131 14.1130 +REMARK 3 T TENSOR +REMARK 3 T11: 0.2072 T22: 0.2782 +REMARK 3 T33: 0.2606 T12: -0.0028 +REMARK 3 T13: -0.0231 T23: 0.0228 +REMARK 3 L TENSOR +REMARK 3 L11: 1.0118 L22: 1.7378 +REMARK 3 L33: 1.9374 L12: 0.8622 +REMARK 3 L13: 1.2873 L23: 0.5636 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1444 S12: 0.2449 S13: 0.2823 +REMARK 3 S21: -0.1558 S22: -0.0313 S23: -0.0137 +REMARK 3 S31: -0.0042 S32: -0.0158 S33: -0.0002 +REMARK 3 TLS GROUP : 10 +REMARK 3 SELECTION: (chain B and resid 53:77) +REMARK 3 ORIGIN FOR THE GROUP (A): 2.0748 11.8591 2.0666 +REMARK 3 T TENSOR +REMARK 3 T11: 0.5250 T22: 0.3891 +REMARK 3 T33: 0.3551 T12: -0.0774 +REMARK 3 T13: -0.1350 T23: 0.0512 +REMARK 3 L TENSOR +REMARK 3 L11: 0.9213 L22: 0.4088 +REMARK 3 L33: 1.5452 L12: -0.0471 +REMARK 3 L13: 0.9803 L23: 0.4498 +REMARK 3 S TENSOR +REMARK 3 S11: -0.2380 S12: 0.2691 S13: 0.3132 +REMARK 3 S21: -0.2190 S22: -0.0484 S23: 0.2327 +REMARK 3 S31: -0.8892 S32: 0.1376 S33: 0.0004 +REMARK 3 TLS GROUP : 11 +REMARK 3 SELECTION: (chain B and resid 78:98) +REMARK 3 ORIGIN FOR THE GROUP (A): 5.9802 -4.3421 13.1540 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4181 T22: 0.2895 +REMARK 3 T33: 0.4321 T12: 0.0322 +REMARK 3 T13: -0.0015 T23: -0.0762 +REMARK 3 L TENSOR +REMARK 3 L11: 2.0457 L22: 2.0911 +REMARK 3 L33: 2.2198 L12: 1.0750 +REMARK 3 L13: 1.5783 L23: -0.2258 +REMARK 3 S TENSOR +REMARK 3 S11: -0.0108 S12: 0.3969 S13: -1.2951 +REMARK 3 S21: -0.2976 S22: -0.1007 S23: -0.0823 +REMARK 3 S31: 0.4410 S32: 0.0669 S33: 0.0273 +REMARK 3 TLS GROUP : 12 +REMARK 3 SELECTION: (chain B and resid 99:139) +REMARK 3 ORIGIN FOR THE GROUP (A): 16.5019 3.5815 21.8672 +REMARK 3 T TENSOR +REMARK 3 T11: 0.3001 T22: 0.3695 +REMARK 3 T33: 0.4175 T12: 0.0597 +REMARK 3 T13: -0.0638 T23: 0.0214 +REMARK 3 L TENSOR +REMARK 3 L11: 2.4709 L22: 3.0156 +REMARK 3 L33: 1.8157 L12: 0.9792 +REMARK 3 L13: 1.7923 L23: -0.3205 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0821 S12: 0.0826 S13: -0.0854 +REMARK 3 S21: 0.1302 S22: 0.0166 S23: -0.7437 +REMARK 3 S31: 0.2582 S32: 0.6479 S33: 0.0199 +REMARK 3 TLS GROUP : 13 +REMARK 3 SELECTION: (chain B and resid 140:172) +REMARK 3 ORIGIN FOR THE GROUP (A): 23.0021 -5.6948 16.4996 +REMARK 3 T TENSOR +REMARK 3 T11: 0.4986 T22: 0.6327 +REMARK 3 T33: 0.8037 T12: 0.2659 +REMARK 3 T13: 0.0216 T23: -0.0525 +REMARK 3 L TENSOR +REMARK 3 L11: 1.4287 L22: 1.0616 +REMARK 3 L33: 1.5165 L12: -0.6545 +REMARK 3 L13: 0.7829 L23: 0.5570 +REMARK 3 S TENSOR +REMARK 3 S11: -0.0934 S12: -0.1005 S13: -0.4423 +REMARK 3 S21: -0.0793 S22: 0.2106 S23: -0.8676 +REMARK 3 S31: 0.6229 S32: 1.2914 S33: 0.0222 +REMARK 3 TLS GROUP : 14 +REMARK 3 SELECTION: (chain B and resid 173:183) +REMARK 3 ORIGIN FOR THE GROUP (A): 5.4101 1.4194 28.9316 +REMARK 3 T TENSOR +REMARK 3 T11: 0.3037 T22: 0.3044 +REMARK 3 T33: 0.3045 T12: 0.0107 +REMARK 3 T13: -0.0706 T23: 0.0536 +REMARK 3 L TENSOR +REMARK 3 L11: 1.1806 L22: 0.8436 +REMARK 3 L33: 0.7896 L12: 0.7880 +REMARK 3 L13: -0.0560 L23: -0.5281 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0496 S12: -0.4690 S13: -0.2116 +REMARK 3 S21: 0.1496 S22: 0.0550 S23: -0.0506 +REMARK 3 S31: 0.1224 S32: -0.3716 S33: -0.0009 +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGEN ATOMS HAVE BEEN ADDED AT THE +REMARK 3 RIDING POSITIONS; THE PROTEIN WAS SUBJECTED TO IN SITU +REMARK 3 PROTEOLYSIS, THEREFORE THE EXACT LENGTH OF THE CRYSTALLIZED +REMARK 3 POLYPEPTIDE COULD NOT BE DETERMINED +REMARK 4 +REMARK 4 4GYT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-SEP-12. +REMARK 100 THE RCSB ID CODE IS RCSB074803. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 11-JUN-12 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 5.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 19-ID +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.97929 +REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-3000 +REMARK 200 DATA SCALING SOFTWARE : HKL-3000 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28918 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.047 +REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.7 +REMARK 200 DATA REDUNDANCY : 8.800 +REMARK 200 R MERGE (I) : 0.07500 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 27.4000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.05 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.09 +REMARK 200 COMPLETENESS FOR SHELL (%) : 97.3 +REMARK 200 DATA REDUNDANCY IN SHELL : 8.80 +REMARK 200 R MERGE FOR SHELL (I) : 0.75200 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 3.500 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD +REMARK 200 SOFTWARE USED: SHELX, MLPHARE, DM, BUCCANEER, ARP/WARP, COOT +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 53.53 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M BIS-TRIS, 0.2M AMMONIUM ACETATE, +REMARK 280 27% PEG3350, 5% JEFF M-600, 1/280 TRYPSIN , PH 5.5, VAPOR +REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 295K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.92350 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.92250 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.93600 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.92250 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.92350 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.93600 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1710 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 17550 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -36.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 42.93600 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 51.92250 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 0 +REMARK 465 MET A 1 +REMARK 465 SER A 2 +REMARK 465 LEU A 3 +REMARK 465 ASP A 4 +REMARK 465 ASN A 5 +REMARK 465 ASP A 6 +REMARK 465 ARG A 184 +REMARK 465 GLU A 185 +REMARK 465 LEU A 186 +REMARK 465 GLY A 187 +REMARK 465 ASP A 188 +REMARK 465 SER A 189 +REMARK 465 GLY A 190 +REMARK 465 THR A 191 +REMARK 465 THR A 192 +REMARK 465 HIS A 193 +REMARK 465 GLY B 0 +REMARK 465 MET B 1 +REMARK 465 SER B 2 +REMARK 465 LEU B 3 +REMARK 465 ASP B 4 +REMARK 465 ASN B 5 +REMARK 465 ASP B 6 +REMARK 465 ARG B 184 +REMARK 465 GLU B 185 +REMARK 465 LEU B 186 +REMARK 465 GLY B 187 +REMARK 465 ASP B 188 +REMARK 465 SER B 189 +REMARK 465 GLY B 190 +REMARK 465 THR B 191 +REMARK 465 THR B 192 +REMARK 465 HIS B 193 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 LEU A 8 108.89 -165.83 +REMARK 500 ALA A 24 54.52 39.54 +REMARK 500 ASN A 57 56.26 39.11 +REMARK 500 ALA B 44 58.07 -96.74 +REMARK 500 GLU B 145 63.34 -119.19 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 201 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 PHE A 87 O +REMARK 620 2 GLN A 81 O 103.0 +REMARK 620 3 ASN A 84 O 91.2 98.0 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA B 201 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLN B 81 O +REMARK 620 2 PHE B 87 O 113.9 +REMARK 620 3 ASN B 84 O 98.4 86.7 +REMARK 620 N 1 2 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 201 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: MCSG-APC108010 RELATED DB: TARGETTRACK +DBREF 4GYT A 1 193 UNP Q5ZZD5 Q5ZZD5_LEGPH 1 193 +DBREF 4GYT B 1 193 UNP Q5ZZD5 Q5ZZD5_LEGPH 1 193 +SEQADV 4GYT GLY A 0 UNP Q5ZZD5 EXPRESSION TAG +SEQADV 4GYT GLY B 0 UNP Q5ZZD5 EXPRESSION TAG +SEQRES 1 A 194 GLY MET SER LEU ASP ASN ASP SER LEU HIS LEU PRO LYS +SEQRES 2 A 194 TYR ASP ASP PHE VAL GLN SER ILE SER VAL LEU ALA LEU +SEQRES 3 A 194 THR MET SER GLY SER GLU LEU HIS GLY ILE MET CYS GLY +SEQRES 4 A 194 TYR LEU CYS ALA GLY ALA ASP SER GLN GLY GLU ALA TYR +SEQRES 5 A 194 ILE ARG ALA LEU LEU ASN ASN LYS LYS ASP GLU GLN SER +SEQRES 6 A 194 ARG ASN ALA LEU LEU SER MET PHE SER VAL PHE SER ILE +SEQRES 7 A 194 SER GLN GLN GLN MET ASN ASN PHE ASP PHE GLU PHE GLU +SEQRES 8 A 194 MET LEU LEU PRO ASP ASP ASP GLU SER LEU VAL THR ARG +SEQRES 9 A 194 ALA GLN ALA PHE SER GLU TRP CYS GLU GLY PHE THR GLN +SEQRES 10 A 194 GLY LEU THR ILE ALA GLY VAL GLY MET GLU GLN PHE TYR +SEQRES 11 A 194 GLU GLU GLU SER GLN ASP ALA LEU GLN HIS LEU MET GLU +SEQRES 12 A 194 PHE ALA GLU LEU ASP CYS GLU SER LEU GLU VAL GLY GLU +SEQRES 13 A 194 GLU ASP GLU ARG ALA LEU MET GLU VAL SER GLU TYR THR +SEQRES 14 A 194 ARG MET ALA VAL LEU ARG LEU HIS SER ASP LEU VAL LEU +SEQRES 15 A 194 HIS GLU ARG GLU LEU GLY ASP SER GLY THR THR HIS +SEQRES 1 B 194 GLY MET SER LEU ASP ASN ASP SER LEU HIS LEU PRO LYS +SEQRES 2 B 194 TYR ASP ASP PHE VAL GLN SER ILE SER VAL LEU ALA LEU +SEQRES 3 B 194 THR MET SER GLY SER GLU LEU HIS GLY ILE MET CYS GLY +SEQRES 4 B 194 TYR LEU CYS ALA GLY ALA ASP SER GLN GLY GLU ALA TYR +SEQRES 5 B 194 ILE ARG ALA LEU LEU ASN ASN LYS LYS ASP GLU GLN SER +SEQRES 6 B 194 ARG ASN ALA LEU LEU SER MET PHE SER VAL PHE SER ILE +SEQRES 7 B 194 SER GLN GLN GLN MET ASN ASN PHE ASP PHE GLU PHE GLU +SEQRES 8 B 194 MET LEU LEU PRO ASP ASP ASP GLU SER LEU VAL THR ARG +SEQRES 9 B 194 ALA GLN ALA PHE SER GLU TRP CYS GLU GLY PHE THR GLN +SEQRES 10 B 194 GLY LEU THR ILE ALA GLY VAL GLY MET GLU GLN PHE TYR +SEQRES 11 B 194 GLU GLU GLU SER GLN ASP ALA LEU GLN HIS LEU MET GLU +SEQRES 12 B 194 PHE ALA GLU LEU ASP CYS GLU SER LEU GLU VAL GLY GLU +SEQRES 13 B 194 GLU ASP GLU ARG ALA LEU MET GLU VAL SER GLU TYR THR +SEQRES 14 B 194 ARG MET ALA VAL LEU ARG LEU HIS SER ASP LEU VAL LEU +SEQRES 15 B 194 HIS GLU ARG GLU LEU GLY ASP SER GLY THR THR HIS +HET NA A 201 1 +HET NA B 201 1 +HETNAM NA SODIUM ION +FORMUL 3 NA 2(NA 1+) +FORMUL 5 HOH *122(H2 O) +HELIX 1 1 LYS A 12 SER A 21 1 10 +HELIX 2 2 VAL A 22 ALA A 24 5 3 +HELIX 3 3 SER A 28 ALA A 42 1 15 +HELIX 4 4 ALA A 44 LEU A 55 1 12 +HELIX 5 5 ASP A 61 ASN A 84 1 24 +HELIX 6 6 SER A 99 ALA A 121 1 23 +HELIX 7 7 GLY A 124 PHE A 128 5 5 +HELIX 8 8 GLU A 130 ALA A 144 1 15 +HELIX 9 9 GLY A 154 HIS A 182 1 29 +HELIX 10 10 LYS B 12 ILE B 20 1 9 +HELIX 11 11 SER B 21 ALA B 24 5 4 +HELIX 12 12 SER B 28 GLY B 43 1 16 +HELIX 13 13 ALA B 44 LEU B 55 1 12 +HELIX 14 14 ASP B 61 ASN B 84 1 24 +HELIX 15 15 SER B 99 ALA B 121 1 23 +HELIX 16 16 GLY B 124 PHE B 128 5 5 +HELIX 17 17 GLU B 130 GLU B 145 1 16 +HELIX 18 18 GLY B 154 LEU B 181 1 28 +LINK O PHE A 87 NA NA A 201 1555 1555 2.14 +LINK O GLN B 81 NA NA B 201 1555 1555 2.19 +LINK O PHE B 87 NA NA B 201 1555 1555 2.29 +LINK O GLN A 81 NA NA A 201 1555 1555 2.35 +LINK O ASN A 84 NA NA A 201 1555 1555 2.41 +LINK O ASN B 84 NA NA B 201 1555 1555 2.41 +SITE 1 AC1 3 GLN A 81 ASN A 84 PHE A 87 +SITE 1 AC2 3 GLN B 81 ASN B 84 PHE B 87 +CRYST1 51.847 85.872 103.845 90.00 90.00 90.00 P 21 21 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.019288 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.011645 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009630 0.00000 +ATOM 1 N SER A 7 14.763 45.903 30.850 1.00 60.43 N +ANISOU 1 N SER A 7 9210 6402 7348 -1167 -972 -2852 N +ATOM 2 CA SER A 7 14.813 45.351 29.505 1.00 57.31 C +ANISOU 2 CA SER A 7 8739 5936 7101 -1177 -941 -2588 C +ATOM 3 C SER A 7 15.436 43.951 29.535 1.00 63.74 C +ANISOU 3 C SER A 7 9410 7032 7774 -1224 -1021 -2379 C +ATOM 4 O SER A 7 15.889 43.484 30.583 1.00 65.38 O +ANISOU 4 O SER A 7 9588 7457 7798 -1250 -1128 -2439 O +ATOM 5 CB SER A 7 15.612 46.273 28.581 1.00 62.45 C +ANISOU 5 CB SER A 7 9404 6281 8043 -1359 -983 -2482 C +ATOM 6 OG SER A 7 16.848 46.640 29.169 1.00 67.43 O +ANISOU 6 OG SER A 7 9978 6921 8721 -1576 -1139 -2547 O +ATOM 7 N LEU A 8 15.452 43.287 28.385 1.00 58.59 N +ANISOU 7 N LEU A 8 8688 6376 7199 -1240 -953 -2128 N +ATOM 8 CA LEU A 8 15.950 41.914 28.285 1.00 56.00 C +ANISOU 8 CA LEU A 8 8220 6308 6750 -1295 -968 -1923 C +ATOM 9 C LEU A 8 16.163 41.570 26.833 1.00 49.59 C +ANISOU 9 C LEU A 8 7342 5412 6090 -1352 -900 -1684 C +ATOM 10 O LEU A 8 15.197 41.348 26.094 1.00 51.85 O +ANISOU 10 O LEU A 8 7680 5642 6377 -1219 -780 -1634 O +ATOM 11 CB LEU A 8 14.942 40.922 28.874 1.00 63.55 C +ANISOU 11 CB LEU A 8 9191 7500 7457 -1122 -874 -1941 C +ATOM 12 CG LEU A 8 15.328 39.433 28.842 1.00 57.34 C +ANISOU 12 CG LEU A 8 8258 6983 6548 -1167 -865 -1736 C +ATOM 13 CD1 LEU A 8 16.260 39.074 30.001 1.00 55.05 C +ANISOU 13 CD1 LEU A 8 7911 6889 6118 -1254 -1010 -1749 C +ATOM 14 CD2 LEU A 8 14.078 38.571 28.855 1.00 57.28 C +ANISOU 14 CD2 LEU A 8 8254 7115 6393 -1005 -710 -1710 C +ATOM 15 N HIS A 9 17.423 41.464 26.438 1.00 42.06 N +ANISOU 15 N HIS A 9 6261 4471 5251 -1542 -978 -1534 N +ATOM 16 CA HIS A 9 17.779 41.378 25.024 1.00 37.33 C +ANISOU 16 CA HIS A 9 5609 3763 4813 -1617 -917 -1309 C +ATOM 17 C HIS A 9 18.418 40.073 24.571 1.00 36.51 C +ANISOU 17 C HIS A 9 5307 3901 4664 -1647 -889 -1091 C +ATOM 18 O HIS A 9 19.101 39.399 25.328 1.00 41.69 O +ANISOU 18 O HIS A 9 5849 4768 5225 -1724 -983 -1089 O +ATOM 19 CB HIS A 9 18.701 42.543 24.702 1.00 42.69 C +ANISOU 19 CB HIS A 9 6276 4218 5725 -1794 -980 -1280 C +ATOM 20 CG HIS A 9 18.098 43.863 25.045 1.00 54.97 C +ANISOU 20 CG HIS A 9 8007 5512 7366 -1738 -988 -1481 C +ATOM 21 ND1 HIS A 9 16.841 44.229 24.612 1.00 64.04 N +ANISOU 21 ND1 HIS A 9 9316 6499 8518 -1548 -888 -1531 N +ATOM 22 CD2 HIS A 9 18.556 44.894 25.792 1.00 58.03 C +ANISOU 22 CD2 HIS A 9 8432 5773 7844 -1838 -1082 -1657 C +ATOM 23 CE1 HIS A 9 16.557 45.437 25.066 1.00 61.22 C +ANISOU 23 CE1 HIS A 9 9081 5924 8255 -1525 -907 -1720 C +ATOM 24 NE2 HIS A 9 17.581 45.861 25.782 1.00 57.90 N +ANISOU 24 NE2 HIS A 9 8600 5516 7885 -1709 -1022 -1807 N +ATOM 25 N LEU A 10 18.166 39.719 23.316 1.00 30.72 N +ANISOU 25 N LEU A 10 4526 3146 4001 -1540 -754 -901 N +ATOM 26 CA LEU A 10 18.786 38.554 22.705 1.00 32.47 C +ANISOU 26 CA LEU A 10 4557 3570 4212 -1517 -697 -693 C +ATOM 27 C LEU A 10 20.289 38.804 22.638 1.00 32.53 C +ANISOU 27 C LEU A 10 4405 3600 4355 -1736 -771 -588 C +ATOM 28 O LEU A 10 20.713 39.950 22.636 1.00 32.82 O +ANISOU 28 O LEU A 10 4493 3444 4533 -1902 -831 -626 O +ATOM 29 CB LEU A 10 18.237 38.374 21.308 1.00 29.84 C +ANISOU 29 CB LEU A 10 4243 3173 3920 -1371 -550 -544 C +ATOM 30 CG LEU A 10 16.837 37.770 21.219 1.00 29.23 C +ANISOU 30 CG LEU A 10 4246 3138 3723 -1150 -483 -600 C +ATOM 31 CD1 LEU A 10 16.366 37.782 19.786 1.00 29.85 C +ANISOU 31 CD1 LEU A 10 4360 3137 3845 -1028 -378 -464 C +ATOM 32 CD2 LEU A 10 16.820 36.335 21.749 1.00 29.24 C +ANISOU 32 CD2 LEU A 10 4134 3382 3594 -1087 -486 -580 C +ATOM 33 N PRO A 11 21.091 37.736 22.585 1.00 31.45 N +ANISOU 33 N PRO A 11 4065 3688 4197 -1737 -768 -453 N +ATOM 34 CA PRO A 11 22.539 37.916 22.375 1.00 35.87 C +ANISOU 34 CA PRO A 11 4419 4297 4914 -1927 -814 -321 C +ATOM 35 C PRO A 11 22.843 38.473 20.969 1.00 34.48 C +ANISOU 35 C PRO A 11 4217 3989 4896 -1959 -663 -140 C +ATOM 36 O PRO A 11 21.980 38.370 20.084 1.00 34.24 O +ANISOU 36 O PRO A 11 4308 3890 4814 -1789 -526 -94 O +ATOM 37 CB PRO A 11 23.086 36.464 22.488 1.00 36.35 C +ANISOU 37 CB PRO A 11 4276 4630 4904 -1831 -805 -207 C +ATOM 38 CG PRO A 11 21.922 35.616 22.040 1.00 30.07 C +ANISOU 38 CG PRO A 11 3595 3855 3974 -1586 -679 -205 C +ATOM 39 CD PRO A 11 20.708 36.309 22.614 1.00 31.98 C +ANISOU 39 CD PRO A 11 4070 3956 4126 -1555 -712 -398 C +ATOM 40 N LYS A 12 24.058 38.990 20.756 1.00 34.72 N +ANISOU 40 N LYS A 12 4077 4009 5107 -2172 -688 -24 N +ATOM 41 CA LYS A 12 24.491 39.435 19.429 1.00 35.65 C +ANISOU 41 CA LYS A 12 4138 4047 5361 -2215 -519 194 C +ATOM 42 C LYS A 12 24.366 38.257 18.444 1.00 34.84 C +ANISOU 42 C LYS A 12 3963 4130 5145 -1980 -332 338 C +ATOM 43 O LYS A 12 24.555 37.093 18.817 1.00 32.48 O +ANISOU 43 O LYS A 12 3541 4042 4757 -1867 -352 323 O +ATOM 44 CB LYS A 12 25.929 39.992 19.442 1.00 42.88 C +ANISOU 44 CB LYS A 12 4815 4978 6499 -2496 -566 319 C +ATOM 45 CG LYS A 12 26.103 41.370 20.081 1.00 61.29 C +ANISOU 45 CG LYS A 12 7247 7063 8976 -2694 -706 184 C +ATOM 46 CD LYS A 12 27.592 41.841 20.131 1.00 73.89 C +ANISOU 46 CD LYS A 12 8585 8711 10781 -2883 -722 276 C +ATOM 47 CE LYS A 12 28.197 42.159 18.750 1.00 74.90 C +ANISOU 47 CE LYS A 12 8593 8814 11052 -2949 -498 562 C +ATOM 48 NZ LYS A 12 28.646 40.944 17.974 1.00 77.41 N +ANISOU 48 NZ LYS A 12 8684 9422 11305 -2828 -330 771 N +ATOM 49 N TYR A 13 24.052 38.548 17.192 1.00 35.86 N +ANISOU 49 N TYR A 13 4180 4174 5271 -1902 -161 475 N +ATOM 50 CA TYR A 13 23.752 37.480 16.232 1.00 35.36 C +ANISOU 50 CA TYR A 13 4108 4262 5063 -1661 0 562 C +ATOM 51 C TYR A 13 24.966 36.559 16.079 1.00 33.12 C +ANISOU 51 C TYR A 13 3539 4228 4818 -1654 72 682 C +ATOM 52 O TYR A 13 24.839 35.329 16.174 1.00 33.42 O +ANISOU 52 O TYR A 13 3527 4421 4749 -1470 84 641 O +ATOM 53 CB TYR A 13 23.355 38.040 14.850 1.00 34.33 C +ANISOU 53 CB TYR A 13 4120 4022 4904 -1594 164 711 C +ATOM 54 CG TYR A 13 22.942 36.921 13.909 1.00 31.30 C +ANISOU 54 CG TYR A 13 3764 3792 4336 -1336 297 750 C +ATOM 55 CD1 TYR A 13 23.804 36.461 12.905 1.00 32.49 C +ANISOU 55 CD1 TYR A 13 3773 4109 4462 -1287 485 927 C +ATOM 56 CD2 TYR A 13 21.720 36.300 14.061 1.00 30.19 C +ANISOU 56 CD2 TYR A 13 3780 3638 4054 -1148 235 599 C +ATOM 57 CE1 TYR A 13 23.422 35.422 12.055 1.00 32.82 C +ANISOU 57 CE1 TYR A 13 3869 4281 4322 -1042 594 923 C +ATOM 58 CE2 TYR A 13 21.337 35.232 13.249 1.00 36.01 C +ANISOU 58 CE2 TYR A 13 4549 4497 4635 -930 324 607 C +ATOM 59 CZ TYR A 13 22.193 34.800 12.245 1.00 34.60 C +ANISOU 59 CZ TYR A 13 4263 4464 4417 -873 496 755 C +ATOM 60 OH TYR A 13 21.793 33.773 11.445 1.00 32.67 O +ANISOU 60 OH TYR A 13 4082 4323 4010 -653 570 727 O +ATOM 61 N ASP A 14 26.134 37.147 15.839 1.00 35.39 N +ANISOU 61 N ASP A 14 3629 4542 5276 -1849 122 837 N +ATOM 62 CA ASP A 14 27.352 36.353 15.601 1.00 40.45 C +ANISOU 62 CA ASP A 14 3958 5431 5981 -1831 218 972 C +ATOM 63 C ASP A 14 27.801 35.563 16.839 1.00 40.65 C +ANISOU 63 C ASP A 14 3811 5604 6029 -1834 32 865 C +ATOM 64 O ASP A 14 28.383 34.483 16.704 1.00 39.92 O +ANISOU 64 O ASP A 14 3528 5716 5925 -1688 95 925 O +ATOM 65 CB ASP A 14 28.503 37.208 15.103 1.00 46.37 C +ANISOU 65 CB ASP A 14 4496 6189 6932 -2062 318 1178 C +ATOM 66 CG ASP A 14 28.243 37.816 13.718 1.00 55.51 C +ANISOU 66 CG ASP A 14 5790 7256 8044 -2034 547 1353 C +ATOM 67 OD1 ASP A 14 27.476 37.250 12.905 1.00 60.53 O +ANISOU 67 OD1 ASP A 14 6603 7923 8474 -1784 672 1345 O +ATOM 68 OD2 ASP A 14 28.824 38.873 13.442 1.00 55.45 O +ANISOU 68 OD2 ASP A 14 5715 7146 8209 -2273 593 1509 O +ATOM 69 N ASP A 15 27.525 36.073 18.038 1.00 38.91 N +ANISOU 69 N ASP A 15 3672 5283 5828 -1979 -198 708 N +ATOM 70 CA ASP A 15 27.804 35.293 19.241 1.00 36.35 C +ANISOU 70 CA ASP A 15 3233 5109 5469 -1960 -388 612 C +ATOM 71 C ASP A 15 26.933 34.052 19.243 1.00 33.59 C +ANISOU 71 C ASP A 15 3009 4824 4929 -1678 -348 547 C +ATOM 72 O ASP A 15 27.410 32.940 19.497 1.00 36.64 O +ANISOU 72 O ASP A 15 3235 5385 5303 -1554 -367 590 O +ATOM 73 CB ASP A 15 27.591 36.097 20.536 1.00 37.10 C +ANISOU 73 CB ASP A 15 3434 5096 5568 -2158 -640 433 C +ATOM 74 CG ASP A 15 28.554 37.257 20.665 1.00 42.17 C +ANISOU 74 CG ASP A 15 3943 5656 6424 -2446 -719 471 C +ATOM 75 OD1 ASP A 15 29.673 37.145 20.130 1.00 44.43 O +ANISOU 75 OD1 ASP A 15 3965 6061 6856 -2477 -621 636 O +ATOM 76 OD2 ASP A 15 28.203 38.276 21.301 1.00 45.31 O +ANISOU 76 OD2 ASP A 15 4529 5855 6830 -2558 -843 301 O +ATOM 77 N PHE A 16 25.654 34.213 18.960 1.00 33.27 N +ANISOU 77 N PHE A 16 3247 4635 4760 -1575 -301 451 N +ATOM 78 CA PHE A 16 24.789 33.058 18.942 1.00 33.29 C +ANISOU 78 CA PHE A 16 3358 4682 4607 -1339 -272 393 C +ATOM 79 C PHE A 16 25.255 32.037 17.893 1.00 37.86 C +ANISOU 79 C PHE A 16 3815 5381 5187 -1152 -99 517 C +ATOM 80 O PHE A 16 25.380 30.843 18.184 1.00 33.94 O +ANISOU 80 O PHE A 16 3245 4994 4657 -1007 -124 517 O +ATOM 81 CB PHE A 16 23.333 33.449 18.727 1.00 29.60 C +ANISOU 81 CB PHE A 16 3173 4046 4027 -1266 -250 279 C +ATOM 82 CG PHE A 16 22.393 32.272 18.715 1.00 34.97 C +ANISOU 82 CG PHE A 16 3949 4764 4574 -1055 -231 222 C +ATOM 83 CD1 PHE A 16 22.191 31.521 19.863 1.00 24.66 C +ANISOU 83 CD1 PHE A 16 2627 3537 3204 -1031 -355 155 C +ATOM 84 CD2 PHE A 16 21.718 31.918 17.562 1.00 35.04 C +ANISOU 84 CD2 PHE A 16 4067 4728 4519 -894 -102 243 C +ATOM 85 CE1 PHE A 16 21.349 30.436 19.846 1.00 31.89 C +ANISOU 85 CE1 PHE A 16 3621 4467 4030 -865 -335 126 C +ATOM 86 CE2 PHE A 16 20.853 30.831 17.545 1.00 30.37 C +ANISOU 86 CE2 PHE A 16 3555 4152 3834 -727 -105 183 C +ATOM 87 CZ PHE A 16 20.657 30.104 18.679 1.00 28.54 C +ANISOU 87 CZ PHE A 16 3296 3976 3571 -721 -216 131 C +ATOM 88 N VAL A 17 25.520 32.510 16.685 1.00 30.29 N +ANISOU 88 N VAL A 17 2850 4399 4261 -1149 77 624 N +ATOM 89 CA VAL A 17 25.915 31.631 15.607 1.00 34.63 C +ANISOU 89 CA VAL A 17 3316 5066 4775 -955 265 717 C +ATOM 90 C VAL A 17 27.170 30.819 15.961 1.00 39.46 C +ANISOU 90 C VAL A 17 3625 5870 5499 -919 262 797 C +ATOM 91 O VAL A 17 27.184 29.588 15.808 1.00 36.37 O +ANISOU 91 O VAL A 17 3203 5553 5060 -702 301 779 O +ATOM 92 CB VAL A 17 26.090 32.425 14.336 1.00 34.52 C +ANISOU 92 CB VAL A 17 3338 5020 4757 -986 459 841 C +ATOM 93 CG1 VAL A 17 26.949 31.680 13.334 1.00 40.39 C +ANISOU 93 CG1 VAL A 17 3916 5942 5488 -828 675 959 C +ATOM 94 CG2 VAL A 17 24.713 32.720 13.766 1.00 33.04 C +ANISOU 94 CG2 VAL A 17 3461 4675 4416 -898 471 762 C +ATOM 95 N GLN A 18 28.185 31.488 16.488 1.00 42.81 N +ANISOU 95 N GLN A 18 3824 6358 6085 -1129 193 877 N +ATOM 96 CA GLN A 18 29.382 30.798 16.976 1.00 45.72 C +ANISOU 96 CA GLN A 18 3869 6920 6582 -1108 145 957 C +ATOM 97 C GLN A 18 29.054 29.783 18.079 1.00 39.44 C +ANISOU 97 C GLN A 18 3107 6154 5726 -996 -49 862 C +ATOM 98 O GLN A 18 29.641 28.697 18.142 1.00 40.53 O +ANISOU 98 O GLN A 18 3074 6419 5908 -823 -38 917 O +ATOM 99 CB GLN A 18 30.389 31.803 17.531 1.00 47.01 C +ANISOU 99 CB GLN A 18 3795 7129 6936 -1400 37 1035 C +ATOM 100 CG GLN A 18 31.705 31.173 18.002 1.00 67.03 C +ANISOU 100 CG GLN A 18 5947 9890 9632 -1388 -28 1138 C +ATOM 101 CD GLN A 18 32.415 30.368 16.904 1.00 71.82 C +ANISOU 101 CD GLN A 18 6347 10656 10285 -1159 239 1271 C +ATOM 102 OE1 GLN A 18 32.346 30.709 15.715 1.00 67.93 O +ANISOU 102 OE1 GLN A 18 5911 10144 9755 -1123 490 1340 O +ATOM 103 NE2 GLN A 18 33.090 29.286 17.303 1.00 73.29 N +ANISOU 103 NE2 GLN A 18 6305 11002 10540 -986 187 1307 N +ATOM 104 N SER A 19 28.119 30.120 18.954 1.00 37.28 N +ANISOU 104 N SER A 19 3051 5763 5352 -1084 -219 732 N +ATOM 105 CA SER A 19 27.866 29.249 20.088 1.00 35.21 C +ANISOU 105 CA SER A 19 2810 5547 5020 -1012 -400 676 C +ATOM 106 C SER A 19 27.193 27.959 19.626 1.00 39.13 C +ANISOU 106 C SER A 19 3429 6012 5427 -743 -305 659 C +ATOM 107 O SER A 19 27.221 26.969 20.356 1.00 33.46 O +ANISOU 107 O SER A 19 2678 5343 4690 -640 -414 673 O +ATOM 108 CB SER A 19 27.020 29.945 21.149 1.00 33.14 C +ANISOU 108 CB SER A 19 2753 5191 4649 -1165 -577 537 C +ATOM 109 OG SER A 19 25.658 29.973 20.739 1.00 32.83 O +ANISOU 109 OG SER A 19 2994 5001 4479 -1076 -490 438 O +ATOM 110 N ILE A 20 26.584 27.954 18.434 1.00 35.21 N +ANISOU 110 N ILE A 20 3082 5425 4873 -634 -119 632 N +ATOM 111 CA ILE A 20 25.965 26.707 17.929 1.00 36.75 C +ANISOU 111 CA ILE A 20 3396 5572 4995 -389 -46 593 C +ATOM 112 C ILE A 20 26.714 26.041 16.767 1.00 39.90 C +ANISOU 112 C ILE A 20 3673 6044 5444 -194 149 658 C +ATOM 113 O ILE A 20 26.240 25.024 16.197 1.00 39.44 O +ANISOU 113 O ILE A 20 3733 5925 5328 17 216 600 O +ATOM 114 CB ILE A 20 24.489 26.882 17.526 1.00 32.55 C +ANISOU 114 CB ILE A 20 3159 4883 4325 -364 -21 475 C +ATOM 115 CG1 ILE A 20 24.336 27.811 16.325 1.00 36.31 C +ANISOU 115 CG1 ILE A 20 3715 5314 4765 -394 133 483 C +ATOM 116 CG2 ILE A 20 23.681 27.359 18.705 1.00 36.32 C +ANISOU 116 CG2 ILE A 20 3753 5303 4744 -506 -186 399 C +ATOM 117 CD1 ILE A 20 22.932 27.879 15.807 1.00 38.91 C +ANISOU 117 CD1 ILE A 20 4307 5509 4967 -333 147 379 C +ATOM 118 N SER A 21 27.876 26.593 16.419 1.00 37.95 N +ANISOU 118 N SER A 21 3187 5925 5306 -262 243 770 N +ATOM 119 CA SER A 21 28.583 26.132 15.227 1.00 44.21 C +ANISOU 119 CA SER A 21 3862 6812 6124 -77 476 831 C +ATOM 120 C SER A 21 28.956 24.659 15.344 1.00 43.97 C +ANISOU 120 C SER A 21 3742 6819 6144 183 472 821 C +ATOM 121 O SER A 21 28.859 23.904 14.370 1.00 39.47 O +ANISOU 121 O SER A 21 3252 6231 5514 415 634 769 O +ATOM 122 CB SER A 21 29.830 26.984 14.938 1.00 46.48 C +ANISOU 122 CB SER A 21 3857 7256 6548 -216 586 982 C +ATOM 123 OG SER A 21 30.722 27.025 16.036 1.00 51.72 O +ANISOU 123 OG SER A 21 4247 8025 7377 -337 414 1055 O +ATOM 124 N VAL A 22 29.371 24.248 16.537 1.00 40.77 N +ANISOU 124 N VAL A 22 3191 6457 5844 153 277 867 N +ATOM 125 CA VAL A 22 29.801 22.873 16.726 1.00 47.08 C +ANISOU 125 CA VAL A 22 3893 7272 6723 403 255 888 C +ATOM 126 C VAL A 22 28.708 21.864 16.352 1.00 44.37 C +ANISOU 126 C VAL A 22 3847 6738 6273 591 271 759 C +ATOM 127 O VAL A 22 29.016 20.737 15.961 1.00 41.22 O +ANISOU 127 O VAL A 22 3421 6309 5933 848 339 743 O +ATOM 128 CB VAL A 22 30.275 22.612 18.159 1.00 45.92 C +ANISOU 128 CB VAL A 22 3582 7191 6676 332 4 975 C +ATOM 129 CG1 VAL A 22 29.096 22.577 19.139 1.00 45.82 C +ANISOU 129 CG1 VAL A 22 3832 7043 6534 218 -194 905 C +ATOM 130 CG2 VAL A 22 31.087 21.299 18.211 1.00 55.08 C +ANISOU 130 CG2 VAL A 22 4555 8396 7975 613 8 1049 C +ATOM 131 N LEU A 23 27.444 22.264 16.459 1.00 41.03 N +ANISOU 131 N LEU A 23 3696 6180 5713 466 204 663 N +ATOM 132 CA LEU A 23 26.343 21.364 16.151 1.00 37.46 C +ANISOU 132 CA LEU A 23 3506 5546 5180 600 193 544 C +ATOM 133 C LEU A 23 26.224 21.073 14.661 1.00 41.67 C +ANISOU 133 C LEU A 23 4151 6045 5638 784 396 447 C +ATOM 134 O LEU A 23 25.424 20.224 14.259 1.00 37.32 O +ANISOU 134 O LEU A 23 3805 5340 5035 914 384 329 O +ATOM 135 CB LEU A 23 25.004 21.926 16.630 1.00 35.91 C +ANISOU 135 CB LEU A 23 3535 5242 4869 418 78 472 C +ATOM 136 CG LEU A 23 24.789 22.140 18.130 1.00 39.60 C +ANISOU 136 CG LEU A 23 3977 5725 5343 250 -121 527 C +ATOM 137 CD1 LEU A 23 23.368 22.596 18.361 1.00 42.69 C +ANISOU 137 CD1 LEU A 23 4598 6009 5614 127 -175 432 C +ATOM 138 CD2 LEU A 23 25.108 20.874 18.936 1.00 45.36 C +ANISOU 138 CD2 LEU A 23 4640 6434 6160 372 -236 606 C +ATOM 139 N ALA A 24 27.000 21.785 13.849 1.00 39.55 N +ANISOU 139 N ALA A 24 3752 5921 5353 782 577 497 N +ATOM 140 CA ALA A 24 26.905 21.678 12.401 1.00 41.03 C +ANISOU 140 CA ALA A 24 4059 6117 5412 944 788 415 C +ATOM 141 C ALA A 24 25.464 21.557 11.941 1.00 37.62 C +ANISOU 141 C ALA A 24 3958 5515 4820 945 727 263 C +ATOM 142 O ALA A 24 25.113 20.642 11.225 1.00 40.42 O +ANISOU 142 O ALA A 24 4465 5782 5110 1142 769 133 O +ATOM 143 CB ALA A 24 27.709 20.477 11.910 1.00 48.74 C +ANISOU 143 CB ALA A 24 4936 7126 6459 1245 910 383 C +ATOM 144 N LEU A 25 24.621 22.492 12.338 1.00 34.75 N +ANISOU 144 N LEU A 25 3700 5102 4400 728 621 269 N +ATOM 145 CA LEU A 25 23.230 22.472 11.905 1.00 35.72 C +ANISOU 145 CA LEU A 25 4098 5085 4388 721 554 139 C +ATOM 146 C LEU A 25 23.097 22.819 10.442 1.00 40.31 C +ANISOU 146 C LEU A 25 4812 5711 4791 816 715 91 C +ATOM 147 O LEU A 25 23.969 23.464 9.856 1.00 41.95 O +ANISOU 147 O LEU A 25 4908 6066 4967 816 889 192 O +ATOM 148 CB LEU A 25 22.384 23.444 12.728 1.00 33.47 C +ANISOU 148 CB LEU A 25 3871 4748 4098 488 413 161 C +ATOM 149 CG LEU A 25 22.326 23.157 14.222 1.00 39.16 C +ANISOU 149 CG LEU A 25 4506 5438 4936 385 246 198 C +ATOM 150 CD1 LEU A 25 21.261 24.041 14.884 1.00 42.10 C +ANISOU 150 CD1 LEU A 25 4985 5749 5261 199 133 170 C +ATOM 151 CD2 LEU A 25 22.046 21.673 14.484 1.00 52.50 C +ANISOU 151 CD2 LEU A 25 6245 7021 6682 530 172 143 C +ATOM 152 N THR A 26 21.965 22.399 9.882 1.00 48.92 N +ANISOU 152 N THR A 26 6140 6683 5763 883 645 -54 N +ATOM 153 CA THR A 26 21.645 22.603 8.472 1.00 59.34 C +ANISOU 153 CA THR A 26 7636 8041 6868 990 753 -125 C +ATOM 154 C THR A 26 20.986 23.971 8.201 1.00 52.57 C +ANISOU 154 C THR A 26 6870 7199 5905 830 734 -53 C +ATOM 155 O THR A 26 20.590 24.255 7.091 1.00 50.78 O +ANISOU 155 O THR A 26 6807 7004 5483 901 790 -86 O +ATOM 156 CB THR A 26 20.623 21.552 8.039 1.00 60.22 C +ANISOU 156 CB THR A 26 7966 8004 6910 1113 632 -327 C +ATOM 157 OG1 THR A 26 19.468 21.642 8.899 1.00 60.91 O +ANISOU 157 OG1 THR A 26 8106 7957 7080 954 423 -351 O +ATOM 158 CG2 THR A 26 21.218 20.148 8.132 1.00 65.10 C +ANISOU 158 CG2 THR A 26 8543 8559 7632 1302 653 -417 C +ATOM 159 N MET A 27 20.824 24.795 9.213 1.00 44.45 N +ANISOU 159 N MET A 27 5755 6138 4996 629 641 37 N +ATOM 160 CA MET A 27 20.066 26.024 9.018 1.00 34.83 C +ANISOU 160 CA MET A 27 4644 4883 3705 501 599 83 C +ATOM 161 C MET A 27 20.778 27.178 9.696 1.00 32.60 C +ANISOU 161 C MET A 27 4207 4639 3542 310 635 238 C +ATOM 162 O MET A 27 21.689 26.983 10.476 1.00 34.93 O +ANISOU 162 O MET A 27 4306 4988 3977 257 646 292 O +ATOM 163 CB MET A 27 18.725 25.861 9.657 1.00 31.31 C +ANISOU 163 CB MET A 27 4302 4302 3292 446 399 -23 C +ATOM 164 CG MET A 27 18.877 25.804 11.127 1.00 36.50 C +ANISOU 164 CG MET A 27 4820 4927 4121 318 307 2 C +ATOM 165 SD MET A 27 17.445 25.269 11.960 1.00 53.50 S +ANISOU 165 SD MET A 27 7053 6954 6321 277 117 -110 S +ATOM 166 CE MET A 27 17.876 23.543 12.217 1.00 42.96 C +ANISOU 166 CE MET A 27 5668 5589 5065 401 97 -163 C +ATOM 167 N SER A 28 20.349 28.387 9.386 1.00 32.65 N +ANISOU 167 N SER A 28 4304 4604 3499 209 636 307 N +ATOM 168 CA SER A 28 20.977 29.579 9.941 1.00 29.85 C +ANISOU 168 CA SER A 28 3831 4243 3267 11 658 442 C +ATOM 169 C SER A 28 20.488 29.822 11.368 1.00 26.32 C +ANISOU 169 C SER A 28 3353 3696 2952 -128 478 372 C +ATOM 170 O SER A 28 19.466 29.262 11.810 1.00 23.76 O +ANISOU 170 O SER A 28 3119 3303 2606 -77 352 246 O +ATOM 171 CB SER A 28 20.648 30.773 9.043 1.00 27.88 C +ANISOU 171 CB SER A 28 3720 3948 2923 -33 722 549 C +ATOM 172 OG SER A 28 19.234 30.987 9.079 1.00 26.59 O +ANISOU 172 OG SER A 28 3745 3657 2702 -4 572 449 O +ATOM 173 N GLY A 29 21.243 30.627 12.118 1.00 28.57 N +ANISOU 173 N GLY A 29 3502 3983 3372 -308 465 452 N +ATOM 174 CA GLY A 29 20.777 31.100 13.408 1.00 27.02 C +ANISOU 174 CA GLY A 29 3312 3695 3260 -446 303 377 C +ATOM 175 C GLY A 29 19.382 31.683 13.343 1.00 26.53 C +ANISOU 175 C GLY A 29 3453 3492 3136 -430 226 294 C +ATOM 176 O GLY A 29 18.549 31.437 14.238 1.00 26.28 O +ANISOU 176 O GLY A 29 3462 3415 3108 -431 108 178 O +ATOM 177 N SER A 30 19.135 32.480 12.304 1.00 24.43 N +ANISOU 177 N SER A 30 3303 3166 2813 -411 299 370 N +ATOM 178 CA SER A 30 17.846 33.135 12.134 1.00 23.01 C +ANISOU 178 CA SER A 30 3302 2851 2591 -376 223 315 C +ATOM 179 C SER A 30 16.762 32.112 11.893 1.00 21.71 C +ANISOU 179 C SER A 30 3213 2709 2324 -214 159 198 C +ATOM 180 O SER A 30 15.697 32.222 12.467 1.00 24.27 O +ANISOU 180 O SER A 30 3591 2960 2668 -205 54 98 O +ATOM 181 CB SER A 30 17.841 34.148 10.994 1.00 24.55 C +ANISOU 181 CB SER A 30 3611 2979 2738 -372 304 455 C +ATOM 182 OG SER A 30 18.690 35.254 11.268 1.00 32.95 O +ANISOU 182 OG SER A 30 4617 3968 3934 -556 344 569 O +ATOM 183 N GLU A 31 17.014 31.100 11.065 1.00 22.86 N +ANISOU 183 N GLU A 31 3360 2956 2371 -88 222 200 N +ATOM 184 CA GLU A 31 15.996 30.083 10.840 1.00 24.76 C +ANISOU 184 CA GLU A 31 3674 3195 2539 41 137 74 C +ATOM 185 C GLU A 31 15.673 29.383 12.128 1.00 27.27 C +ANISOU 185 C GLU A 31 3907 3498 2957 -6 42 -20 C +ATOM 186 O GLU A 31 14.490 29.122 12.439 1.00 24.66 O +ANISOU 186 O GLU A 31 3622 3116 2632 17 -61 -111 O +ATOM 187 CB GLU A 31 16.415 29.043 9.760 1.00 22.65 C +ANISOU 187 CB GLU A 31 3438 3019 2147 190 215 59 C +ATOM 188 CG GLU A 31 15.279 28.076 9.427 1.00 26.50 C +ANISOU 188 CG GLU A 31 4026 3473 2571 301 96 -85 C +ATOM 189 CD GLU A 31 15.427 27.317 8.083 1.00 33.64 C +ANISOU 189 CD GLU A 31 5039 4441 3300 466 147 -135 C +ATOM 190 OE1 GLU A 31 16.280 27.663 7.239 1.00 39.22 O +ANISOU 190 OE1 GLU A 31 5769 5240 3893 516 298 -41 O +ATOM 191 OE2 GLU A 31 14.663 26.356 7.878 1.00 41.17 O +ANISOU 191 OE2 GLU A 31 6061 5355 4228 541 36 -274 O +ATOM 192 N LEU A 32 16.721 29.063 12.878 1.00 27.17 N +ANISOU 192 N LEU A 32 3757 3544 3022 -73 76 18 N +ATOM 193 CA LEU A 32 16.557 28.385 14.133 1.00 22.44 C +ANISOU 193 CA LEU A 32 3081 2951 2494 -118 -10 -37 C +ATOM 194 C LEU A 32 15.747 29.239 15.105 1.00 23.32 C +ANISOU 194 C LEU A 32 3222 3003 2637 -219 -88 -86 C +ATOM 195 O LEU A 32 14.842 28.757 15.767 1.00 23.16 O +ANISOU 195 O LEU A 32 3212 2967 2621 -212 -157 -155 O +ATOM 196 CB LEU A 32 17.910 27.959 14.726 1.00 23.42 C +ANISOU 196 CB LEU A 32 3046 3164 2689 -159 22 33 C +ATOM 197 CG LEU A 32 17.856 27.439 16.158 1.00 22.60 C +ANISOU 197 CG LEU A 32 2869 3081 2639 -225 -79 12 C +ATOM 198 CD1 LEU A 32 17.017 26.196 16.311 1.00 22.75 C +ANISOU 198 CD1 LEU A 32 2934 3060 2650 -137 -133 -43 C +ATOM 199 CD2 LEU A 32 19.293 27.192 16.677 1.00 22.75 C +ANISOU 199 CD2 LEU A 32 2713 3201 2730 -264 -70 102 C +ATOM 200 N HIS A 33 16.047 30.527 15.179 1.00 22.67 N +ANISOU 200 N HIS A 33 3155 2877 2581 -311 -69 -51 N +ATOM 201 CA HIS A 33 15.270 31.374 16.037 1.00 24.89 C +ANISOU 201 CA HIS A 33 3486 3085 2887 -377 -133 -126 C +ATOM 202 C HIS A 33 13.800 31.450 15.580 1.00 21.89 C +ANISOU 202 C HIS A 33 3206 2639 2472 -273 -167 -192 C +ATOM 203 O HIS A 33 12.905 31.449 16.419 1.00 20.31 O +ANISOU 203 O HIS A 33 3004 2429 2282 -275 -214 -277 O +ATOM 204 CB HIS A 33 15.895 32.761 16.184 1.00 25.68 C +ANISOU 204 CB HIS A 33 3602 3109 3048 -500 -120 -90 C +ATOM 205 CG HIS A 33 15.228 33.588 17.228 1.00 25.31 C +ANISOU 205 CG HIS A 33 3611 2981 3027 -559 -188 -203 C +ATOM 206 ND1 HIS A 33 14.637 34.799 16.948 1.00 25.48 N +ANISOU 206 ND1 HIS A 33 3748 2848 3086 -551 -192 -229 N +ATOM 207 CD2 HIS A 33 15.005 33.361 18.543 1.00 21.40 C +ANISOU 207 CD2 HIS A 33 3084 2537 2509 -604 -246 -301 C +ATOM 208 CE1 HIS A 33 14.100 35.295 18.047 1.00 25.01 C +ANISOU 208 CE1 HIS A 33 3723 2744 3037 -581 -243 -361 C +ATOM 209 NE2 HIS A 33 14.320 34.444 19.034 1.00 23.51 N +ANISOU 209 NE2 HIS A 33 3447 2691 2794 -619 -272 -407 N +ATOM 210 N GLY A 34 13.551 31.511 14.276 1.00 23.89 N +ANISOU 210 N GLY A 34 3535 2867 2675 -178 -143 -149 N +ATOM 211 CA GLY A 34 12.189 31.496 13.745 1.00 23.57 C +ANISOU 211 CA GLY A 34 3569 2785 2603 -72 -204 -203 C +ATOM 212 C GLY A 34 11.454 30.226 14.180 1.00 26.54 C +ANISOU 212 C GLY A 34 3885 3214 2987 -40 -263 -284 C +ATOM 213 O GLY A 34 10.299 30.267 14.599 1.00 20.29 O +ANISOU 213 O GLY A 34 3076 2405 2228 -20 -318 -350 O +ATOM 214 N ILE A 35 12.123 29.094 14.090 1.00 22.75 N +ANISOU 214 N ILE A 35 3362 2791 2491 -33 -244 -271 N +ATOM 215 CA ILE A 35 11.533 27.841 14.587 1.00 22.34 C +ANISOU 215 CA ILE A 35 3257 2756 2475 -27 -300 -325 C +ATOM 216 C ILE A 35 11.119 27.911 16.071 1.00 21.40 C +ANISOU 216 C ILE A 35 3062 2659 2409 -116 -313 -344 C +ATOM 217 O ILE A 35 9.974 27.593 16.430 1.00 20.72 O +ANISOU 217 O ILE A 35 2946 2571 2357 -114 -355 -389 O +ATOM 218 CB ILE A 35 12.468 26.646 14.335 1.00 25.08 C +ANISOU 218 CB ILE A 35 3581 3130 2819 6 -275 -302 C +ATOM 219 CG1 ILE A 35 12.566 26.403 12.836 1.00 25.52 C +ANISOU 219 CG1 ILE A 35 3732 3177 2787 122 -262 -324 C +ATOM 220 CG2 ILE A 35 11.918 25.398 15.042 1.00 25.92 C +ANISOU 220 CG2 ILE A 35 3637 3216 2994 -14 -337 -332 C +ATOM 221 CD1 ILE A 35 13.612 25.370 12.451 1.00 24.32 C +ANISOU 221 CD1 ILE A 35 3567 3049 2623 192 -206 -317 C +ATOM 222 N MET A 36 12.033 28.381 16.919 1.00 21.60 N +ANISOU 222 N MET A 36 3053 2721 2436 -197 -276 -310 N +ATOM 223 CA MET A 36 11.760 28.541 18.335 1.00 22.59 C +ANISOU 223 CA MET A 36 3132 2890 2561 -275 -285 -336 C +ATOM 224 C MET A 36 10.534 29.410 18.542 1.00 20.12 C +ANISOU 224 C MET A 36 2850 2543 2253 -252 -286 -415 C +ATOM 225 O MET A 36 9.678 29.110 19.395 1.00 22.23 O +ANISOU 225 O MET A 36 3070 2859 2518 -264 -282 -449 O +ATOM 226 CB MET A 36 12.934 29.204 19.041 1.00 19.20 C +ANISOU 226 CB MET A 36 2683 2496 2117 -367 -275 -312 C +ATOM 227 CG MET A 36 14.174 28.355 19.186 1.00 22.15 C +ANISOU 227 CG MET A 36 2980 2936 2502 -391 -282 -226 C +ATOM 228 SD MET A 36 15.453 29.332 20.023 1.00 24.45 S +ANISOU 228 SD MET A 36 3221 3276 2792 -524 -307 -210 S +ATOM 229 CE MET A 36 16.875 28.220 19.967 1.00 26.97 C +ANISOU 229 CE MET A 36 3405 3689 3155 -510 -316 -88 C +ATOM 230 N CYS A 37 10.460 30.514 17.798 1.00 20.26 N +ANISOU 230 N CYS A 37 2938 2479 2280 -212 -280 -431 N +ATOM 231 CA CYS A 37 9.377 31.463 17.982 1.00 19.01 C +ANISOU 231 CA CYS A 37 2808 2268 2146 -162 -283 -505 C +ATOM 232 C CYS A 37 8.023 30.922 17.484 1.00 18.01 C +ANISOU 232 C CYS A 37 2636 2154 2051 -71 -321 -528 C +ATOM 233 O CYS A 37 6.973 31.313 17.984 1.00 24.10 O +ANISOU 233 O CYS A 37 3365 2935 2857 -29 -312 -590 O +ATOM 234 CB CYS A 37 9.715 32.818 17.347 1.00 19.16 C +ANISOU 234 CB CYS A 37 2927 2165 2188 -144 -278 -492 C +ATOM 235 SG CYS A 37 10.993 33.642 18.284 1.00 22.40 S +ANISOU 235 SG CYS A 37 3363 2545 2603 -286 -257 -507 S +ATOM 236 N GLY A 38 8.081 30.043 16.495 1.00 19.39 N +ANISOU 236 N GLY A 38 2815 2334 2218 -39 -366 -486 N +ATOM 237 CA GLY A 38 6.924 29.271 16.035 1.00 23.19 C +ANISOU 237 CA GLY A 38 3238 2832 2740 11 -436 -512 C +ATOM 238 C GLY A 38 6.347 28.425 17.157 1.00 27.26 C +ANISOU 238 C GLY A 38 3637 3418 3305 -59 -415 -523 C +ATOM 239 O GLY A 38 5.141 28.473 17.404 1.00 22.65 O +ANISOU 239 O GLY A 38 2961 2864 2782 -36 -427 -556 O +ATOM 240 N TYR A 39 7.191 27.659 17.859 1.00 27.89 N +ANISOU 240 N TYR A 39 3705 3532 3361 -140 -380 -477 N +ATOM 241 CA TYR A 39 6.701 26.869 18.987 1.00 21.78 C +ANISOU 241 CA TYR A 39 2834 2827 2614 -214 -350 -450 C +ATOM 242 C TYR A 39 6.136 27.797 20.055 1.00 23.08 C +ANISOU 242 C TYR A 39 2960 3063 2745 -218 -272 -495 C +ATOM 243 O TYR A 39 5.073 27.536 20.615 1.00 22.47 O +ANISOU 243 O TYR A 39 2780 3053 2706 -228 -234 -497 O +ATOM 244 CB TYR A 39 7.807 26.022 19.625 1.00 21.30 C +ANISOU 244 CB TYR A 39 2783 2791 2520 -284 -335 -371 C +ATOM 245 CG TYR A 39 8.247 24.826 18.867 1.00 21.78 C +ANISOU 245 CG TYR A 39 2864 2780 2632 -272 -394 -332 C +ATOM 246 CD1 TYR A 39 7.471 23.669 18.850 1.00 27.61 C +ANISOU 246 CD1 TYR A 39 3550 3477 3463 -306 -439 -309 C +ATOM 247 CD2 TYR A 39 9.461 24.814 18.220 1.00 27.51 C +ANISOU 247 CD2 TYR A 39 3655 3474 3325 -228 -397 -320 C +ATOM 248 CE1 TYR A 39 7.864 22.560 18.170 1.00 27.15 C +ANISOU 248 CE1 TYR A 39 3534 3320 3462 -286 -502 -300 C +ATOM 249 CE2 TYR A 39 9.879 23.705 17.541 1.00 23.79 C +ANISOU 249 CE2 TYR A 39 3210 2935 2895 -187 -436 -308 C +ATOM 250 CZ TYR A 39 9.078 22.573 17.524 1.00 27.20 C +ANISOU 250 CZ TYR A 39 3619 3299 3418 -212 -495 -309 C +ATOM 251 OH TYR A 39 9.472 21.445 16.875 1.00 26.49 O +ANISOU 251 OH TYR A 39 3577 3106 3381 -165 -544 -322 O +ATOM 252 N LEU A 40 6.853 28.876 20.351 1.00 23.77 N +ANISOU 252 N LEU A 40 3127 3138 2766 -211 -241 -536 N +ATOM 253 CA LEU A 40 6.438 29.773 21.434 1.00 23.67 C +ANISOU 253 CA LEU A 40 3111 3180 2701 -204 -167 -614 C +ATOM 254 C LEU A 40 5.134 30.508 21.094 1.00 21.75 C +ANISOU 254 C LEU A 40 2823 2910 2531 -92 -149 -688 C +ATOM 255 O LEU A 40 4.275 30.692 21.966 1.00 25.02 O +ANISOU 255 O LEU A 40 3163 3412 2933 -65 -67 -739 O +ATOM 256 CB LEU A 40 7.522 30.794 21.716 1.00 23.10 C +ANISOU 256 CB LEU A 40 3149 3060 2567 -234 -169 -661 C +ATOM 257 CG LEU A 40 8.780 30.238 22.402 1.00 26.93 C +ANISOU 257 CG LEU A 40 3645 3612 2973 -343 -189 -599 C +ATOM 258 CD1 LEU A 40 9.912 31.243 22.388 1.00 26.44 C +ANISOU 258 CD1 LEU A 40 3666 3485 2896 -393 -221 -636 C +ATOM 259 CD2 LEU A 40 8.434 29.858 23.819 1.00 23.48 C +ANISOU 259 CD2 LEU A 40 3172 3320 2430 -387 -138 -608 C +ATOM 260 N CYS A 41 5.023 30.973 19.852 1.00 22.24 N +ANISOU 260 N CYS A 41 2930 2864 2657 -14 -220 -689 N +ATOM 261 CA CYS A 41 3.766 31.601 19.374 1.00 26.35 C +ANISOU 261 CA CYS A 41 3392 3355 3264 114 -237 -737 C +ATOM 262 C CYS A 41 2.577 30.648 19.611 1.00 27.17 C +ANISOU 262 C CYS A 41 3313 3572 3439 106 -230 -718 C +ATOM 263 O CYS A 41 1.560 31.060 20.116 1.00 28.55 O +ANISOU 263 O CYS A 41 3378 3806 3662 177 -166 -768 O +ATOM 264 CB CYS A 41 3.857 31.976 17.904 1.00 27.13 C +ANISOU 264 CB CYS A 41 3570 3343 3396 190 -342 -700 C +ATOM 265 SG CYS A 41 2.433 32.914 17.298 1.00 27.02 S +ANISOU 265 SG CYS A 41 3496 3282 3489 372 -396 -738 S +ATOM 266 N ALA A 42 2.752 29.365 19.322 1.00 27.64 N +ANISOU 266 N ALA A 42 3334 3655 3514 13 -283 -644 N +ATOM 267 CA ALA A 42 1.669 28.386 19.481 1.00 30.62 C +ANISOU 267 CA ALA A 42 3534 4110 3990 -33 -293 -609 C +ATOM 268 C ALA A 42 1.461 28.005 20.926 1.00 27.75 C +ANISOU 268 C ALA A 42 3081 3873 3589 -113 -152 -575 C +ATOM 269 O ALA A 42 0.561 27.252 21.208 1.00 32.16 O +ANISOU 269 O ALA A 42 3477 4506 4236 -170 -129 -523 O +ATOM 270 CB ALA A 42 1.964 27.128 18.676 1.00 25.33 C +ANISOU 270 CB ALA A 42 2882 3382 3362 -110 -409 -555 C +ATOM 271 N GLY A 43 2.278 28.530 21.834 1.00 28.38 N +ANISOU 271 N GLY A 43 3265 3985 3533 -126 -64 -599 N +ATOM 272 CA GLY A 43 2.247 28.113 23.221 1.00 31.45 C +ANISOU 272 CA GLY A 43 3607 4514 3828 -204 61 -555 C +ATOM 273 C GLY A 43 2.728 26.671 23.420 1.00 33.45 C +ANISOU 273 C GLY A 43 3848 4775 4086 -340 28 -411 C +ATOM 274 O GLY A 43 2.379 26.022 24.402 1.00 31.38 O +ANISOU 274 O GLY A 43 3507 4628 3786 -418 120 -320 O +ATOM 275 N ALA A 44 3.509 26.144 22.477 1.00 27.94 N +ANISOU 275 N ALA A 44 3231 3949 3435 -359 -96 -381 N +ATOM 276 CA ALA A 44 4.047 24.797 22.627 1.00 27.71 C +ANISOU 276 CA ALA A 44 3209 3889 3429 -460 -136 -257 C +ATOM 277 C ALA A 44 5.466 24.866 23.186 1.00 31.21 C +ANISOU 277 C ALA A 44 3771 4347 3740 -480 -135 -223 C +ATOM 278 O ALA A 44 6.432 24.388 22.560 1.00 26.80 O +ANISOU 278 O ALA A 44 3283 3695 3207 -475 -215 -194 O +ATOM 279 CB ALA A 44 4.033 24.081 21.288 1.00 31.13 C +ANISOU 279 CB ALA A 44 3657 4177 3994 -452 -269 -264 C +ATOM 280 N ASP A 45 5.571 25.447 24.380 1.00 24.08 N +ANISOU 280 N ASP A 45 2881 3574 2692 -495 -45 -233 N +ATOM 281 CA ASP A 45 6.865 25.728 25.017 1.00 27.70 C +ANISOU 281 CA ASP A 45 3440 4074 3012 -518 -66 -223 C +ATOM 282 C ASP A 45 7.673 24.444 25.248 1.00 30.06 C +ANISOU 282 C ASP A 45 3743 4358 3321 -581 -125 -62 C +ATOM 283 O ASP A 45 8.845 24.347 24.860 1.00 24.09 O +ANISOU 283 O ASP A 45 3037 3544 2572 -568 -202 -47 O +ATOM 284 CB ASP A 45 6.653 26.469 26.328 1.00 30.78 C +ANISOU 284 CB ASP A 45 3850 4621 3223 -526 28 -279 C +ATOM 285 CG ASP A 45 6.108 27.920 26.125 1.00 35.29 C +ANISOU 285 CG ASP A 45 4451 5169 3789 -434 76 -467 C +ATOM 286 OD1 ASP A 45 5.440 28.215 25.120 1.00 38.97 O +ANISOU 286 OD1 ASP A 45 4876 5537 4396 -365 61 -516 O +ATOM 287 OD2 ASP A 45 6.359 28.777 26.987 1.00 39.51 O +ANISOU 287 OD2 ASP A 45 5061 5776 4175 -425 114 -570 O +ATOM 288 N ASER A 46 7.036 23.456 25.851 0.61 27.58 N +ANISOU 288 N ASER A 46 3365 4089 3026 -643 -82 69 N +ATOM 289 N BSER A 46 7.069 23.459 25.900 0.39 27.83 N +ANISOU 289 N BSER A 46 3398 4126 3050 -645 -81 72 N +ATOM 290 CA ASER A 46 7.720 22.209 26.192 0.61 27.03 C +ANISOU 290 CA ASER A 46 3308 3986 2976 -694 -137 246 C +ATOM 291 CA BSER A 46 7.794 22.219 26.173 0.39 27.23 C +ANISOU 291 CA BSER A 46 3337 4008 3000 -692 -142 244 C +ATOM 292 C ASER A 46 8.163 21.431 24.943 0.61 26.46 C +ANISOU 292 C ASER A 46 3253 3716 3086 -657 -239 250 C +ATOM 293 C BSER A 46 8.273 21.594 24.861 0.39 26.59 C +ANISOU 293 C BSER A 46 3276 3733 3093 -646 -243 229 C +ATOM 294 O ASER A 46 9.189 20.772 24.952 0.61 29.71 O +ANISOU 294 O ASER A 46 3701 4074 3515 -641 -305 335 O +ATOM 295 O BSER A 46 9.426 21.206 24.739 0.39 31.76 O +ANISOU 295 O BSER A 46 3973 4342 3751 -615 -310 278 O +ATOM 296 CB ASER A 46 6.855 21.374 27.125 0.61 28.00 C +ANISOU 296 CB ASER A 46 3364 4187 3086 -782 -55 409 C +ATOM 297 CB BSER A 46 6.968 21.234 27.003 0.39 27.59 C +ANISOU 297 CB BSER A 46 3318 4108 3058 -781 -74 419 C +ATOM 298 OG ASER A 46 6.658 22.094 28.340 0.61 34.50 O +ANISOU 298 OG ASER A 46 4199 5223 3686 -795 49 398 O +ATOM 299 OG BSER A 46 5.747 20.905 26.380 0.39 29.38 O +ANISOU 299 OG BSER A 46 3449 4260 3456 -811 -46 402 O +ATOM 300 N GLN A 47 7.393 21.549 23.870 1.00 23.01 N +ANISOU 300 N GLN A 47 2789 3182 2773 -628 -256 147 N +ATOM 301 CA GLN A 47 7.720 20.968 22.585 1.00 25.37 C +ANISOU 301 CA GLN A 47 3127 3309 3202 -575 -349 102 C +ATOM 302 C GLN A 47 8.882 21.654 21.929 1.00 25.53 C +ANISOU 302 C GLN A 47 3221 3319 3162 -485 -375 22 C +ATOM 303 O GLN A 47 9.728 20.989 21.295 1.00 27.05 O +ANISOU 303 O GLN A 47 3454 3413 3409 -430 -427 37 O +ATOM 304 CB GLN A 47 6.489 20.969 21.693 1.00 34.75 C +ANISOU 304 CB GLN A 47 4266 4430 4506 -576 -378 12 C +ATOM 305 CG GLN A 47 6.611 20.191 20.384 1.00 43.12 C +ANISOU 305 CG GLN A 47 5382 5314 5687 -532 -490 -50 C +ATOM 306 CD GLN A 47 5.281 20.203 19.586 1.00 41.05 C +ANISOU 306 CD GLN A 47 5057 5010 5531 -552 -554 -141 C +ATOM 307 OE1 GLN A 47 4.221 20.534 20.152 1.00 38.73 O +ANISOU 307 OE1 GLN A 47 4640 4810 5265 -613 -502 -117 O +ATOM 308 NE2 GLN A 47 5.342 19.851 18.274 1.00 33.84 N +ANISOU 308 NE2 GLN A 47 4220 3972 4668 -491 -667 -249 N +ATOM 309 N GLY A 48 8.970 22.973 22.097 1.00 25.44 N +ANISOU 309 N GLY A 48 3221 3399 3046 -468 -332 -60 N +ATOM 310 CA GLY A 48 10.126 23.676 21.630 1.00 17.99 C +ANISOU 310 CA GLY A 48 2328 2452 2054 -418 -345 -104 C +ATOM 311 C GLY A 48 11.398 23.239 22.337 1.00 18.37 C +ANISOU 311 C GLY A 48 2368 2551 2062 -438 -369 -3 C +ATOM 312 O GLY A 48 12.464 23.100 21.700 1.00 21.67 O +ANISOU 312 O GLY A 48 2791 2930 2513 -384 -393 8 O +ATOM 313 N GLU A 49 11.308 23.044 23.638 1.00 19.34 N +ANISOU 313 N GLU A 49 2468 2776 2104 -505 -360 78 N +ATOM 314 CA GLU A 49 12.458 22.635 24.439 1.00 26.04 C +ANISOU 314 CA GLU A 49 3300 3695 2898 -523 -410 191 C +ATOM 315 C GLU A 49 12.936 21.257 24.018 1.00 24.49 C +ANISOU 315 C GLU A 49 3089 3386 2829 -468 -458 304 C +ATOM 316 O GLU A 49 14.134 20.993 23.959 1.00 23.52 O +ANISOU 316 O GLU A 49 2938 3269 2731 -419 -507 360 O +ATOM 317 CB GLU A 49 12.091 22.655 25.935 1.00 29.03 C +ANISOU 317 CB GLU A 49 3680 4223 3125 -601 -392 263 C +ATOM 318 CG GLU A 49 11.850 24.104 26.421 1.00 30.70 C +ANISOU 318 CG GLU A 49 3927 4542 3196 -632 -352 116 C +ATOM 319 CD GLU A 49 11.311 24.205 27.839 1.00 34.52 C +ANISOU 319 CD GLU A 49 4432 5193 3492 -688 -304 147 C +ATOM 320 OE1 GLU A 49 10.910 23.166 28.400 1.00 34.89 O +ANISOU 320 OE1 GLU A 49 4456 5276 3523 -715 -280 306 O +ATOM 321 OE2 GLU A 49 11.282 25.331 28.366 1.00 40.50 O +ANISOU 321 OE2 GLU A 49 5238 6036 4115 -703 -285 11 O +ATOM 322 N ALA A 50 11.988 20.376 23.763 1.00 25.03 N +ANISOU 322 N ALA A 50 3166 3347 2996 -477 -449 335 N +ATOM 323 CA ALA A 50 12.289 19.025 23.321 1.00 28.85 C +ANISOU 323 CA ALA A 50 3662 3672 3627 -423 -501 417 C +ATOM 324 C ALA A 50 12.973 19.059 21.963 1.00 28.91 C +ANISOU 324 C ALA A 50 3694 3583 3706 -304 -513 303 C +ATOM 325 O ALA A 50 13.918 18.315 21.726 1.00 27.90 O +ANISOU 325 O ALA A 50 3563 3386 3651 -213 -546 355 O +ATOM 326 CB ALA A 50 11.026 18.219 23.246 1.00 25.57 C +ANISOU 326 CB ALA A 50 3253 3142 3319 -487 -498 446 C +ATOM 327 N TYR A 51 12.532 19.942 21.082 1.00 25.27 N +ANISOU 327 N TYR A 51 3258 3128 3215 -290 -480 156 N +ATOM 328 CA TYR A 51 13.155 20.086 19.769 1.00 23.17 C +ANISOU 328 CA TYR A 51 3028 2805 2970 -178 -470 58 C +ATOM 329 C TYR A 51 14.623 20.531 19.879 1.00 27.44 C +ANISOU 329 C TYR A 51 3515 3441 3471 -131 -445 102 C +ATOM 330 O TYR A 51 15.526 19.992 19.223 1.00 27.79 O +ANISOU 330 O TYR A 51 3547 3441 3569 -18 -434 106 O +ATOM 331 CB TYR A 51 12.338 21.037 18.870 1.00 24.71 C +ANISOU 331 CB TYR A 51 3266 3003 3117 -177 -448 -75 C +ATOM 332 CG TYR A 51 13.066 21.467 17.615 1.00 26.98 C +ANISOU 332 CG TYR A 51 3599 3284 3368 -72 -413 -149 C +ATOM 333 CD1 TYR A 51 13.065 20.670 16.491 1.00 28.91 C +ANISOU 333 CD1 TYR A 51 3914 3423 3648 32 -433 -222 C +ATOM 334 CD2 TYR A 51 13.760 22.654 17.560 1.00 30.22 C +ANISOU 334 CD2 TYR A 51 3987 3791 3703 -83 -357 -144 C +ATOM 335 CE1 TYR A 51 13.741 21.036 15.360 1.00 32.48 C +ANISOU 335 CE1 TYR A 51 4413 3898 4030 137 -376 -279 C +ATOM 336 CE2 TYR A 51 14.444 23.018 16.436 1.00 28.17 C +ANISOU 336 CE2 TYR A 51 3759 3539 3406 2 -302 -175 C +ATOM 337 CZ TYR A 51 14.426 22.221 15.351 1.00 34.46 C +ANISOU 337 CZ TYR A 51 4623 4262 4207 118 -301 -237 C +ATOM 338 OH TYR A 51 15.095 22.588 14.230 1.00 38.74 O +ANISOU 338 OH TYR A 51 5204 4840 4677 211 -223 -261 O +ATOM 339 N ILE A 52 14.866 21.493 20.745 1.00 25.50 N +ANISOU 339 N ILE A 52 3224 3329 3136 -218 -439 130 N +ATOM 340 CA ILE A 52 16.215 21.955 20.973 1.00 22.79 C +ANISOU 340 CA ILE A 52 2801 3085 2772 -211 -442 178 C +ATOM 341 C ILE A 52 17.072 20.839 21.517 1.00 21.73 C +ANISOU 341 C ILE A 52 2600 2953 2704 -153 -497 310 C +ATOM 342 O ILE A 52 18.171 20.642 21.024 1.00 26.65 O +ANISOU 342 O ILE A 52 3149 3590 3389 -61 -482 335 O +ATOM 343 CB ILE A 52 16.198 23.157 21.919 1.00 24.55 C +ANISOU 343 CB ILE A 52 3009 3429 2887 -335 -457 160 C +ATOM 344 CG1 ILE A 52 15.568 24.345 21.188 1.00 25.69 C +ANISOU 344 CG1 ILE A 52 3219 3541 3002 -357 -401 36 C +ATOM 345 CG2 ILE A 52 17.552 23.426 22.435 1.00 26.53 C +ANISOU 345 CG2 ILE A 52 3158 3789 3132 -362 -506 228 C +ATOM 346 CD1 ILE A 52 15.186 25.494 22.148 1.00 25.59 C +ANISOU 346 CD1 ILE A 52 3231 3599 2892 -465 -412 -23 C +ATOM 347 N ARG A 53 16.579 20.092 22.510 1.00 28.80 N +ANISOU 347 N ARG A 53 2602 4087 4254 413 718 1053 N +ATOM 348 CA ARG A 53 17.315 18.931 23.001 1.00 31.32 C +ANISOU 348 CA ARG A 53 2879 4299 4724 572 565 1199 C +ATOM 349 C ARG A 53 17.677 17.978 21.857 1.00 31.07 C +ANISOU 349 C ARG A 53 2637 4097 5069 573 609 1107 C +ATOM 350 O ARG A 53 18.799 17.480 21.760 1.00 32.42 O +ANISOU 350 O ARG A 53 2664 4239 5415 665 446 1058 O +ATOM 351 CB ARG A 53 16.478 18.180 24.037 1.00 32.91 C +ANISOU 351 CB ARG A 53 3286 4414 4803 656 607 1500 C +ATOM 352 CG ARG A 53 17.054 18.066 25.413 1.00 41.51 C +ANISOU 352 CG ARG A 53 4502 5569 5701 806 398 1674 C +ATOM 353 CD ARG A 53 15.978 17.569 26.423 1.00 43.08 C +ANISOU 353 CD ARG A 53 4941 5707 5720 853 488 1964 C +ATOM 354 NE ARG A 53 15.439 18.672 27.209 1.00 46.67 N +ANISOU 354 NE ARG A 53 5579 6336 5819 809 506 1995 N +ATOM 355 CZ ARG A 53 14.146 18.967 27.373 1.00 50.11 C +ANISOU 355 CZ ARG A 53 6167 6780 6092 724 703 2080 C +ATOM 356 NH1 ARG A 53 13.841 20.014 28.146 1.00 46.66 N +ANISOU 356 NH1 ARG A 53 5886 6517 5325 701 683 2095 N +ATOM 357 NH2 ARG A 53 13.149 18.228 26.818 1.00 45.37 N +ANISOU 357 NH2 ARG A 53 5569 6019 5650 665 914 2153 N +ATOM 358 N ALA A 54 16.705 17.724 20.992 1.00 29.35 N +ANISOU 358 N ALA A 54 2405 3770 4977 472 830 1080 N +ATOM 359 CA ALA A 54 16.885 16.765 19.908 1.00 29.06 C +ANISOU 359 CA ALA A 54 2188 3559 5295 471 893 1008 C +ATOM 360 C ALA A 54 17.962 17.178 18.927 1.00 28.20 C +ANISOU 360 C ALA A 54 1853 3504 5357 430 820 736 C +ATOM 361 O ALA A 54 18.599 16.309 18.333 1.00 28.89 O +ANISOU 361 O ALA A 54 1775 3472 5728 486 775 690 O +ATOM 362 CB ALA A 54 15.529 16.548 19.172 1.00 27.21 C +ANISOU 362 CB ALA A 54 1994 3209 5135 359 1154 1020 C +ATOM 363 N LEU A 55 18.206 18.494 18.766 1.00 28.89 N +ANISOU 363 N LEU A 55 1932 3770 5274 334 805 552 N +ATOM 364 CA LEU A 55 19.238 18.949 17.854 1.00 28.12 C +ANISOU 364 CA LEU A 55 1715 3730 5239 272 706 274 C +ATOM 365 C LEU A 55 20.594 18.443 18.291 1.00 31.35 C +ANISOU 365 C LEU A 55 1917 4150 5843 426 505 298 C +ATOM 366 O LEU A 55 21.529 18.431 17.502 1.00 31.92 O +ANISOU 366 O LEU A 55 1955 4229 5945 386 412 96 O +ATOM 367 CB LEU A 55 19.321 20.497 17.767 1.00 31.73 C +ANISOU 367 CB LEU A 55 2241 4388 5425 154 689 95 C +ATOM 368 CG LEU A 55 18.117 21.190 17.138 1.00 28.40 C +ANISOU 368 CG LEU A 55 2079 3978 4734 8 791 26 C +ATOM 369 CD1 LEU A 55 18.208 22.702 17.326 1.00 29.69 C +ANISOU 369 CD1 LEU A 55 2299 4338 4642 -64 755 -60 C +ATOM 370 CD2 LEU A 55 18.037 20.809 15.656 1.00 23.37 C +ANISOU 370 CD2 LEU A 55 1578 3212 4090 -46 752 -81 C +ATOM 371 N LEU A 56 20.747 18.033 19.547 1.00 36.55 N +ANISOU 371 N LEU A 56 2701 4816 6370 561 362 513 N +ATOM 372 CA LEU A 56 22.066 17.518 19.936 1.00 34.11 C +ANISOU 372 CA LEU A 56 2274 4509 6176 703 126 512 C +ATOM 373 C LEU A 56 22.322 16.080 19.486 1.00 35.28 C +ANISOU 373 C LEU A 56 2301 4455 6648 798 118 575 C +ATOM 374 O LEU A 56 23.414 15.585 19.633 1.00 38.95 O +ANISOU 374 O LEU A 56 2643 4906 7251 912 -65 550 O +ATOM 375 CB LEU A 56 22.284 17.639 21.440 1.00 37.07 C +ANISOU 375 CB LEU A 56 2819 4972 6292 826 -52 700 C +ATOM 376 CG LEU A 56 23.086 18.893 21.838 1.00 40.45 C +ANISOU 376 CG LEU A 56 3232 5617 6519 803 -203 552 C +ATOM 377 CD1 LEU A 56 22.247 20.113 21.546 1.00 33.72 C +ANISOU 377 CD1 LEU A 56 2473 4880 5459 636 -41 454 C +ATOM 378 CD2 LEU A 56 23.480 18.826 23.304 1.00 41.18 C +ANISOU 378 CD2 LEU A 56 3468 5777 6400 953 -411 735 C +ATOM 379 N ASN A 57 21.315 15.409 18.937 1.00 36.01 N +ANISOU 379 N ASN A 57 2426 4391 6866 752 313 652 N +ATOM 380 CA ASN A 57 21.414 13.987 18.636 1.00 37.25 C +ANISOU 380 CA ASN A 57 2502 4344 7309 848 310 747 C +ATOM 381 C ASN A 57 22.167 13.187 19.717 1.00 40.29 C +ANISOU 381 C ASN A 57 2925 4691 7691 1038 84 927 C +ATOM 382 O ASN A 57 23.133 12.484 19.443 1.00 49.70 O +ANISOU 382 O ASN A 57 3954 5816 9113 1135 -48 872 O +ATOM 383 CB ASN A 57 22.002 13.772 17.251 1.00 48.99 C +ANISOU 383 CB ASN A 57 3983 5791 8841 710 320 469 C +ATOM 384 CG ASN A 57 21.686 12.400 16.698 1.00 58.51 C +ANISOU 384 CG ASN A 57 5222 6787 10222 714 380 536 C +ATOM 385 OD1 ASN A 57 20.797 11.696 17.195 1.00 60.54 O +ANISOU 385 OD1 ASN A 57 5529 6919 10555 775 464 764 O +ATOM 386 ND2 ASN A 57 22.426 11.999 15.665 1.00 60.53 N +ANISOU 386 ND2 ASN A 57 5461 7005 10534 650 340 355 N +ATOM 387 N ASN A 58 21.673 13.291 20.949 1.00 44.41 N +ANISOU 387 N ASN A 58 3672 5254 7947 1094 45 1145 N +ATOM 388 CA ASN A 58 22.216 12.580 22.095 1.00 50.55 C +ANISOU 388 CA ASN A 58 4535 5997 8675 1274 -157 1345 C +ATOM 389 C ASN A 58 23.664 12.865 22.456 1.00 45.48 C +ANISOU 389 C ASN A 58 3776 5469 8033 1375 -419 1233 C +ATOM 390 O ASN A 58 24.197 12.195 23.338 1.00 51.73 O +ANISOU 390 O ASN A 58 4624 6220 8813 1537 -601 1386 O +ATOM 391 CB ASN A 58 22.104 11.058 21.884 1.00 81.93 C +ANISOU 391 CB ASN A 58 8474 9737 12918 1370 -140 1487 C +ATOM 392 CG ASN A 58 20.668 10.576 21.807 1.00 80.54 C +ANISOU 392 CG ASN A 58 8444 9427 12731 1303 90 1656 C +ATOM 393 OD1 ASN A 58 20.308 9.812 20.902 1.00 76.90 O +ANISOU 393 OD1 ASN A 58 7886 8803 12529 1270 218 1631 O +ATOM 394 ND2 ASN A 58 19.839 11.012 22.758 1.00 82.43 N +ANISOU 394 ND2 ASN A 58 8914 9731 12672 1285 145 1828 N +ATOM 395 N LYS A 59 24.321 13.822 21.814 1.00 41.95 N +ANISOU 395 N LYS A 59 3173 5163 7601 1287 -445 973 N +ATOM 396 CA LYS A 59 25.750 14.018 22.104 1.00 47.40 C +ANISOU 396 CA LYS A 59 3730 5954 8325 1385 -696 856 C +ATOM 397 C LYS A 59 25.896 14.653 23.467 1.00 44.86 C +ANISOU 397 C LYS A 59 3590 5777 7678 1456 -851 974 C +ATOM 398 O LYS A 59 25.080 15.489 23.855 1.00 43.68 O +ANISOU 398 O LYS A 59 3608 5724 7264 1368 -750 1022 O +ATOM 399 CB LYS A 59 26.411 14.902 21.064 1.00 53.51 C +ANISOU 399 CB LYS A 59 4290 6842 9198 1263 -676 544 C +ATOM 400 CG LYS A 59 26.516 14.283 19.699 1.00 51.55 C +ANISOU 400 CG LYS A 59 3917 6476 9194 1178 -541 385 C +ATOM 401 CD LYS A 59 27.112 15.273 18.712 1.00 57.31 C +ANISOU 401 CD LYS A 59 4614 7344 9816 999 -478 87 C +ATOM 402 CE LYS A 59 26.145 16.405 18.346 1.00 55.74 C +ANISOU 402 CE LYS A 59 4501 7231 9446 831 -296 20 C +ATOM 403 NZ LYS A 59 26.576 17.077 17.083 1.00 53.55 N +ANISOU 403 NZ LYS A 59 4279 7011 9055 647 -198 -216 N +ATOM 404 N LYS A 60 26.936 14.286 24.189 1.00 57.40 N +ANISOU 404 N LYS A 60 5145 7383 9281 1617 -1100 1013 N +ATOM 405 CA LYS A 60 27.066 14.706 25.586 1.00 63.00 C +ANISOU 405 CA LYS A 60 6045 8205 9685 1714 -1265 1158 C +ATOM 406 C LYS A 60 28.375 15.420 25.937 1.00 65.02 C +ANISOU 406 C LYS A 60 6189 8629 9887 1771 -1507 994 C +ATOM 407 O LYS A 60 28.587 15.782 27.090 1.00 69.12 O +ANISOU 407 O LYS A 60 6854 9246 10160 1861 -1665 1098 O +ATOM 408 CB LYS A 60 26.886 13.493 26.500 1.00 61.47 C +ANISOU 408 CB LYS A 60 6003 7862 9492 1886 -1350 1443 C +ATOM 409 CG LYS A 60 25.432 13.039 26.601 1.00 66.00 C +ANISOU 409 CG LYS A 60 6770 8313 9993 1831 -1122 1658 C +ATOM 410 CD LYS A 60 25.351 11.559 26.980 1.00 79.07 C +ANISOU 410 CD LYS A 60 8489 9760 11794 1980 -1168 1885 C +ATOM 411 CE LYS A 60 23.960 10.966 26.732 1.00 82.44 C +ANISOU 411 CE LYS A 60 9043 10034 12248 1903 -913 2054 C +ATOM 412 NZ LYS A 60 23.935 9.483 26.968 1.00 82.96 N +ANISOU 412 NZ LYS A 60 9148 9882 12493 2039 -954 2257 N +ATOM 413 N ASP A 61 29.243 15.637 24.957 1.00 55.97 N +ANISOU 413 N ASP A 61 4786 7516 8962 1718 -1536 736 N +ATOM 414 CA ASP A 61 30.487 16.378 25.200 1.00 57.56 C +ANISOU 414 CA ASP A 61 4861 7882 9126 1753 -1753 555 C +ATOM 415 C ASP A 61 30.191 17.834 25.604 1.00 57.56 C +ANISOU 415 C ASP A 61 4977 8082 8812 1641 -1729 491 C +ATOM 416 O ASP A 61 29.063 18.317 25.448 1.00 55.26 O +ANISOU 416 O ASP A 61 4824 7802 8370 1515 -1523 540 O +ATOM 417 CB ASP A 61 31.355 16.366 23.944 1.00 56.18 C +ANISOU 417 CB ASP A 61 4385 7702 9257 1690 -1745 280 C +ATOM 418 CG ASP A 61 30.649 17.014 22.748 1.00 56.65 C +ANISOU 418 CG ASP A 61 4385 7777 9362 1476 -1481 122 C +ATOM 419 OD1 ASP A 61 29.735 16.372 22.174 1.00 62.06 O +ANISOU 419 OD1 ASP A 61 5109 8315 10158 1428 -1285 207 O +ATOM 420 OD2 ASP A 61 30.991 18.168 22.402 1.00 58.02 O +ANISOU 420 OD2 ASP A 61 4525 8107 9411 1337 -1445 -74 O +ATOM 421 N GLU A 62 31.225 18.525 26.084 1.00 53.21 N +ANISOU 421 N GLU A 62 4359 7684 8173 1687 -1941 369 N +ATOM 422 CA GLU A 62 31.101 19.849 26.681 1.00 56.47 C +ANISOU 422 CA GLU A 62 4893 8288 8274 1618 -1974 326 C +ATOM 423 C GLU A 62 30.729 20.941 25.673 1.00 51.34 C +ANISOU 423 C GLU A 62 4171 7730 7607 1398 -1780 111 C +ATOM 424 O GLU A 62 29.970 21.861 26.003 1.00 49.71 O +ANISOU 424 O GLU A 62 4132 7623 7133 1305 -1690 141 O +ATOM 425 CB GLU A 62 32.417 20.230 27.385 1.00 59.70 C +ANISOU 425 CB GLU A 62 5221 8827 8634 1731 -2266 233 C +ATOM 426 CG GLU A 62 32.271 21.356 28.432 1.00 70.98 C +ANISOU 426 CG GLU A 62 6837 10433 9699 1726 -2357 272 C +ATOM 427 CD GLU A 62 33.616 21.965 28.865 1.00 75.81 C +ANISOU 427 CD GLU A 62 7325 11195 10287 1793 -2623 109 C +ATOM 428 OE1 GLU A 62 34.685 21.380 28.554 1.00 79.37 O +ANISOU 428 OE1 GLU A 62 7618 11572 10967 1819 -2687 30 O +ATOM 429 OE2 GLU A 62 33.604 23.031 29.522 1.00 76.34 O +ANISOU 429 OE2 GLU A 62 7509 11413 10082 1753 -2681 88 O +ATOM 430 N GLN A 63 31.275 20.865 24.459 1.00 47.39 N +ANISOU 430 N GLN A 63 3425 7198 7383 1317 -1721 -109 N +ATOM 431 CA GLN A 63 30.922 21.817 23.412 1.00 50.04 C +ANISOU 431 CA GLN A 63 3690 7601 7723 1109 -1528 -313 C +ATOM 432 C GLN A 63 29.433 21.714 23.066 1.00 42.61 C +ANISOU 432 C GLN A 63 2910 6570 6711 1008 -1264 -191 C +ATOM 433 O GLN A 63 28.691 22.696 23.089 1.00 46.41 O +ANISOU 433 O GLN A 63 3520 7144 6970 885 -1146 -214 O +ATOM 434 CB GLN A 63 31.733 21.517 22.161 1.00 57.76 C +ANISOU 434 CB GLN A 63 4538 8483 8927 994 -1407 -471 C +ATOM 435 CG GLN A 63 33.218 21.731 22.317 1.00 71.23 C +ANISOU 435 CG GLN A 63 6185 10239 10640 1008 -1554 -573 C +ATOM 436 CD GLN A 63 33.988 21.296 21.075 1.00 77.89 C +ANISOU 436 CD GLN A 63 6958 10973 11664 912 -1422 -695 C +ATOM 437 OE1 GLN A 63 34.189 20.101 20.836 1.00 73.77 O +ANISOU 437 OE1 GLN A 63 6375 10333 11322 1002 -1429 -640 O +ATOM 438 NE2 GLN A 63 34.402 22.270 20.265 1.00 84.39 N +ANISOU 438 NE2 GLN A 63 7818 11824 12423 737 -1303 -855 N +ATOM 439 N SER A 64 28.995 20.502 22.744 1.00 40.71 N +ANISOU 439 N SER A 64 2660 6143 6665 1065 -1175 -64 N +ATOM 440 CA SER A 64 27.593 20.271 22.450 1.00 39.06 C +ANISOU 440 CA SER A 64 2596 5833 6412 984 -933 63 C +ATOM 441 C SER A 64 26.730 20.747 23.606 1.00 39.24 C +ANISOU 441 C SER A 64 2895 5928 6087 1000 -926 261 C +ATOM 442 O SER A 64 25.690 21.381 23.409 1.00 37.27 O +ANISOU 442 O SER A 64 2768 5710 5682 873 -742 268 O +ATOM 443 CB SER A 64 27.365 18.783 22.178 1.00 40.99 C +ANISOU 443 CB SER A 64 2803 5864 6909 1077 -886 204 C +ATOM 444 OG SER A 64 27.965 18.434 20.951 1.00 46.41 O +ANISOU 444 OG SER A 64 3241 6483 7910 1033 -845 5 O +ATOM 445 N ARG A 65 27.163 20.430 24.818 1.00 43.07 N +ANISOU 445 N ARG A 65 3480 6437 6448 1162 -1130 422 N +ATOM 446 CA ARG A 65 26.443 20.850 26.007 1.00 43.55 C +ANISOU 446 CA ARG A 65 3805 6572 6171 1196 -1144 617 C +ATOM 447 C ARG A 65 26.378 22.378 26.096 1.00 42.04 C +ANISOU 447 C ARG A 65 3664 6580 5729 1072 -1135 469 C +ATOM 448 O ARG A 65 25.333 22.932 26.433 1.00 42.12 O +ANISOU 448 O ARG A 65 3865 6637 5502 1002 -1006 558 O +ATOM 449 CB ARG A 65 27.095 20.259 27.265 1.00 59.87 C +ANISOU 449 CB ARG A 65 5955 8635 8159 1401 -1391 792 C +ATOM 450 CG ARG A 65 26.530 20.792 28.600 1.00 65.50 C +ANISOU 450 CG ARG A 65 6939 9448 8498 1451 -1443 979 C +ATOM 451 CD ARG A 65 25.346 20.001 29.200 1.00 76.58 C +ANISOU 451 CD ARG A 65 8570 10726 9802 1500 -1316 1271 C +ATOM 452 NE ARG A 65 24.719 19.020 28.298 1.00 84.44 N +ANISOU 452 NE ARG A 65 9499 11530 11056 1455 -1122 1314 N +ATOM 453 CZ ARG A 65 23.463 18.571 28.410 1.00 79.73 C +ANISOU 453 CZ ARG A 65 9065 10830 10400 1421 -927 1502 C +ATOM 454 NH1 ARG A 65 22.660 19.020 29.371 1.00 73.22 N +ANISOU 454 NH1 ARG A 65 8482 10077 9262 1423 -888 1665 N +ATOM 455 NH2 ARG A 65 23.000 17.671 27.544 1.00 79.67 N +ANISOU 455 NH2 ARG A 65 8974 10646 10651 1384 -767 1521 N +ATOM 456 N ASN A 66 27.476 23.065 25.790 1.00 37.24 N +ANISOU 456 N ASN A 66 3194 5813 5143 -622 -859 973 N +ATOM 457 CA ASN A 66 27.481 24.523 25.879 1.00 36.03 C +ANISOU 457 CA ASN A 66 3136 5662 4894 -734 -938 871 C +ATOM 458 C ASN A 66 26.577 25.114 24.806 1.00 38.00 C +ANISOU 458 C ASN A 66 3513 5783 5141 -726 -861 745 C +ATOM 459 O ASN A 66 25.860 26.101 25.046 1.00 46.96 O +ANISOU 459 O ASN A 66 4781 6885 6175 -769 -900 639 O +ATOM 460 CB ASN A 66 28.908 25.100 25.790 1.00 36.57 C +ANISOU 460 CB ASN A 66 3099 5799 4998 -833 -1009 925 C +ATOM 461 CG ASN A 66 29.679 24.929 27.083 1.00 48.60 C +ANISOU 461 CG ASN A 66 4547 7454 6465 -869 -1109 1017 C +ATOM 462 OD1 ASN A 66 29.167 24.383 28.052 1.00 52.74 O +ANISOU 462 OD1 ASN A 66 5083 8029 6926 -827 -1136 1049 O +ATOM 463 ND2 ASN A 66 30.912 25.383 27.098 1.00 53.66 N +ANISOU 463 ND2 ASN A 66 5134 8136 7117 -936 -1146 1051 N +ATOM 464 N ALA A 67 26.566 24.481 23.635 1.00 37.30 N +ANISOU 464 N ALA A 67 3388 5623 5162 -666 -747 758 N +ATOM 465 CA ALA A 67 25.627 24.855 22.595 1.00 31.76 C +ANISOU 465 CA ALA A 67 2797 4815 4457 -651 -667 656 C +ATOM 466 C ALA A 67 24.168 24.759 23.066 1.00 33.79 C +ANISOU 466 C ALA A 67 3175 5041 4624 -597 -652 590 C +ATOM 467 O ALA A 67 23.342 25.656 22.786 1.00 29.78 O +ANISOU 467 O ALA A 67 2788 4476 4050 -618 -653 491 O +ATOM 468 CB ALA A 67 25.849 24.006 21.354 1.00 28.31 C +ANISOU 468 CB ALA A 67 2291 4324 4142 -596 -542 684 C +ATOM 469 N LEU A 68 23.854 23.694 23.793 1.00 29.67 N +ANISOU 469 N LEU A 68 2615 4559 4099 -527 -640 652 N +ATOM 470 CA LEU A 68 22.497 23.444 24.250 1.00 30.48 C +ANISOU 470 CA LEU A 68 2813 4647 4120 -473 -619 606 C +ATOM 471 C LEU A 68 22.117 24.549 25.223 1.00 34.85 C +ANISOU 471 C LEU A 68 3460 5243 4539 -527 -717 536 C +ATOM 472 O LEU A 68 21.001 25.076 25.174 1.00 28.38 O +ANISOU 472 O LEU A 68 2755 4381 3645 -511 -700 445 O +ATOM 473 CB LEU A 68 22.385 22.063 24.935 1.00 32.99 C +ANISOU 473 CB LEU A 68 3060 5009 4466 -399 -596 706 C +ATOM 474 CG LEU A 68 21.050 21.646 25.540 1.00 32.24 C +ANISOU 474 CG LEU A 68 3043 4920 4286 -347 -578 682 C +ATOM 475 CD1 LEU A 68 19.969 21.643 24.505 1.00 30.05 C +ANISOU 475 CD1 LEU A 68 2850 4551 4015 -316 -482 600 C +ATOM 476 CD2 LEU A 68 21.102 20.232 26.202 1.00 34.42 C +ANISOU 476 CD2 LEU A 68 3237 5236 4605 -283 -560 803 C +ATOM 477 N LEU A 69 23.038 24.900 26.104 1.00 34.94 N +ANISOU 477 N LEU A 69 3421 5340 4516 -591 -818 577 N +ATOM 478 CA LEU A 69 22.751 25.905 27.119 1.00 31.51 C +ANISOU 478 CA LEU A 69 3076 4951 3945 -652 -912 504 C +ATOM 479 C LEU A 69 22.499 27.258 26.446 1.00 34.18 C +ANISOU 479 C LEU A 69 3527 5198 4262 -706 -914 385 C +ATOM 480 O LEU A 69 21.622 28.019 26.857 1.00 30.41 O +ANISOU 480 O LEU A 69 3170 4695 3688 -708 -931 286 O +ATOM 481 CB LEU A 69 23.879 26.010 28.143 1.00 33.56 C +ANISOU 481 CB LEU A 69 3251 5331 4168 -729 -1024 575 C +ATOM 482 CG LEU A 69 24.111 24.806 29.067 1.00 38.14 C +ANISOU 482 CG LEU A 69 3725 6020 4747 -684 -1045 704 C +ATOM 483 CD1 LEU A 69 25.374 24.971 29.892 1.00 40.31 C +ANISOU 483 CD1 LEU A 69 3898 6421 4998 -771 -1159 788 C +ATOM 484 CD2 LEU A 69 22.936 24.619 30.015 1.00 44.20 C +ANISOU 484 CD2 LEU A 69 4576 6826 5392 -643 -1051 666 C +ATOM 485 N SER A 70 23.235 27.538 25.383 1.00 26.42 N +ANISOU 485 N SER A 70 2502 4162 3374 -744 -890 397 N +ATOM 486 CA SER A 70 23.038 28.782 24.668 1.00 34.23 C +ANISOU 486 CA SER A 70 3591 5059 4355 -797 -890 302 C +ATOM 487 C SER A 70 21.673 28.858 23.953 1.00 31.41 C +ANISOU 487 C SER A 70 3334 4610 3989 -722 -803 232 C +ATOM 488 O SER A 70 21.001 29.907 23.989 1.00 27.09 O +ANISOU 488 O SER A 70 2908 4003 3382 -737 -820 138 O +ATOM 489 CB SER A 70 24.178 29.020 23.686 1.00 34.73 C +ANISOU 489 CB SER A 70 3575 5101 4518 -861 -884 345 C +ATOM 490 OG SER A 70 23.768 30.048 22.805 1.00 35.71 O +ANISOU 490 OG SER A 70 3799 5123 4647 -893 -861 265 O +ATOM 491 N MET A 71 21.256 27.765 23.313 1.00 24.64 N +ANISOU 491 N MET A 71 2428 3742 3193 -642 -710 277 N +ATOM 492 CA MET A 71 19.969 27.695 22.656 1.00 23.37 C +ANISOU 492 CA MET A 71 2345 3517 3019 -577 -630 225 C +ATOM 493 C MET A 71 18.838 27.840 23.682 1.00 29.25 C +ANISOU 493 C MET A 71 3176 4287 3651 -531 -651 172 C +ATOM 494 O MET A 71 17.851 28.559 23.425 1.00 29.40 O +ANISOU 494 O MET A 71 3295 4251 3624 -508 -630 96 O +ATOM 495 CB MET A 71 19.770 26.382 21.868 1.00 22.50 C +ANISOU 495 CB MET A 71 2164 3398 2988 -514 -528 282 C +ATOM 496 CG MET A 71 20.625 26.249 20.628 1.00 25.85 C +ANISOU 496 CG MET A 71 2518 3787 3517 -547 -476 313 C +ATOM 497 SD MET A 71 20.249 24.817 19.602 1.00 28.11 S +ANISOU 497 SD MET A 71 2751 4046 3886 -479 -341 347 S +ATOM 498 CE MET A 71 20.905 23.483 20.633 1.00 29.99 C +ANISOU 498 CE MET A 71 2879 4349 4169 -431 -353 449 C +ATOM 499 N PHE A 72 18.981 27.178 24.832 1.00 28.03 N +ANISOU 499 N PHE A 72 2978 4222 3452 -516 -691 218 N +ATOM 500 CA PHE A 72 18.016 27.344 25.937 1.00 28.45 C +ANISOU 500 CA PHE A 72 3105 4320 3384 -482 -718 169 C +ATOM 501 C PHE A 72 17.932 28.787 26.456 1.00 28.84 C +ANISOU 501 C PHE A 72 3261 4348 3348 -536 -785 66 C +ATOM 502 O PHE A 72 16.842 29.258 26.762 1.00 25.75 O +ANISOU 502 O PHE A 72 2965 3938 2880 -493 -768 -10 O +ATOM 503 CB PHE A 72 18.332 26.408 27.125 1.00 28.37 C +ANISOU 503 CB PHE A 72 3020 4424 3334 -473 -760 250 C +ATOM 504 CG PHE A 72 17.805 24.985 26.963 1.00 31.87 C +ANISOU 504 CG PHE A 72 3405 4883 3822 -394 -685 328 C +ATOM 505 CD1 PHE A 72 16.676 24.713 26.211 1.00 33.79 C +ANISOU 505 CD1 PHE A 72 3696 5068 4076 -334 -597 295 C +ATOM 506 CD2 PHE A 72 18.470 23.926 27.565 1.00 40.28 C +ANISOU 506 CD2 PHE A 72 4364 6020 4919 -385 -706 442 C +ATOM 507 CE1 PHE A 72 16.185 23.398 26.072 1.00 31.80 C +ANISOU 507 CE1 PHE A 72 3397 4825 3862 -276 -528 362 C +ATOM 508 CE2 PHE A 72 17.996 22.601 27.431 1.00 40.97 C +ANISOU 508 CE2 PHE A 72 4406 6106 5057 -316 -634 516 C +ATOM 509 CZ PHE A 72 16.842 22.353 26.674 1.00 30.87 C +ANISOU 509 CZ PHE A 72 3185 4762 3783 -266 -545 469 C +ATOM 510 N SER A 73 19.068 29.469 26.583 1.00 27.42 N +ANISOU 510 N SER A 73 3065 4170 3183 -629 -859 64 N +ATOM 511 CA SER A 73 19.074 30.876 26.995 1.00 29.32 C +ANISOU 511 CA SER A 73 3415 4369 3355 -694 -920 -40 C +ATOM 512 C SER A 73 18.303 31.743 25.994 1.00 24.13 C +ANISOU 512 C SER A 73 2857 3582 2728 -665 -865 -114 C +ATOM 513 O SER A 73 17.477 32.554 26.370 1.00 27.55 O +ANISOU 513 O SER A 73 3403 3972 3092 -642 -865 -208 O +ATOM 514 CB SER A 73 20.498 31.409 27.101 1.00 29.07 C +ANISOU 514 CB SER A 73 3339 4355 3349 -814 -1005 -18 C +ATOM 515 OG SER A 73 20.482 32.814 27.313 1.00 33.55 O +ANISOU 515 OG SER A 73 4027 4855 3866 -884 -1054 -126 O +ATOM 516 N VAL A 74 18.565 31.551 24.710 1.00 27.04 N +ANISOU 516 N VAL A 74 3180 3894 3201 -664 -813 -69 N +ATOM 517 CA VAL A 74 17.801 32.250 23.691 1.00 27.77 C +ANISOU 517 CA VAL A 74 3349 3878 3323 -634 -759 -116 C +ATOM 518 C VAL A 74 16.327 31.906 23.733 1.00 28.28 C +ANISOU 518 C VAL A 74 3461 3943 3340 -527 -692 -144 C +ATOM 519 O VAL A 74 15.476 32.795 23.622 1.00 26.90 O +ANISOU 519 O VAL A 74 3386 3699 3134 -494 -677 -214 O +ATOM 520 CB VAL A 74 18.356 31.971 22.281 1.00 26.26 C +ANISOU 520 CB VAL A 74 3087 3648 3242 -658 -711 -53 C +ATOM 521 CG1 VAL A 74 17.401 32.419 21.227 1.00 23.88 C +ANISOU 521 CG1 VAL A 74 2849 3263 2962 -615 -646 -81 C +ATOM 522 CG2 VAL A 74 19.687 32.705 22.099 1.00 29.56 C +ANISOU 522 CG2 VAL A 74 3481 4046 3703 -773 -777 -42 C +ATOM 523 N PHE A 75 15.992 30.624 23.878 1.00 25.39 N +ANISOU 523 N PHE A 75 3024 3652 2973 -470 -648 -84 N +ATOM 524 CA PHE A 75 14.579 30.226 23.922 1.00 25.30 C +ANISOU 524 CA PHE A 75 3047 3654 2912 -376 -585 -102 C +ATOM 525 C PHE A 75 13.895 30.924 25.090 1.00 23.35 C +ANISOU 525 C PHE A 75 2889 3427 2554 -349 -620 -183 C +ATOM 526 O PHE A 75 12.760 31.408 24.981 1.00 24.60 O +ANISOU 526 O PHE A 75 3120 3553 2675 -285 -581 -236 O +ATOM 527 CB PHE A 75 14.443 28.701 24.065 1.00 20.07 C +ANISOU 527 CB PHE A 75 2294 3070 2263 -335 -543 -22 C +ATOM 528 CG PHE A 75 13.074 28.186 23.869 1.00 20.25 C +ANISOU 528 CG PHE A 75 2337 3107 2251 -257 -472 -25 C +ATOM 529 CD1 PHE A 75 12.549 28.079 22.595 1.00 23.35 C +ANISOU 529 CD1 PHE A 75 2729 3449 2695 -239 -402 -16 C +ATOM 530 CD2 PHE A 75 12.326 27.715 24.953 1.00 22.68 C +ANISOU 530 CD2 PHE A 75 2653 3495 2469 -208 -475 -27 C +ATOM 531 CE1 PHE A 75 11.291 27.574 22.396 1.00 21.52 C +ANISOU 531 CE1 PHE A 75 2507 3243 2428 -177 -340 -12 C +ATOM 532 CE2 PHE A 75 11.076 27.194 24.753 1.00 21.25 C +ANISOU 532 CE2 PHE A 75 2480 3337 2255 -143 -409 -21 C +ATOM 533 CZ PHE A 75 10.548 27.132 23.472 1.00 21.59 C +ANISOU 533 CZ PHE A 75 2523 3327 2352 -129 -343 -14 C +ATOM 534 N SER A 76 14.582 30.971 26.227 1.00 23.11 N +ANISOU 534 N SER A 76 2852 3461 2469 -398 -693 -192 N +ATOM 535 CA SER A 76 13.978 31.539 27.434 1.00 28.27 C +ANISOU 535 CA SER A 76 3588 4152 3002 -379 -723 -276 C +ATOM 536 C SER A 76 13.804 33.062 27.302 1.00 25.73 C +ANISOU 536 C SER A 76 3387 3719 2668 -397 -739 -384 C +ATOM 537 O SER A 76 12.792 33.598 27.732 1.00 25.25 O +ANISOU 537 O SER A 76 3411 3643 2540 -334 -712 -463 O +ATOM 538 CB SER A 76 14.794 31.198 28.684 1.00 33.79 C +ANISOU 538 CB SER A 76 4245 4960 3632 -440 -801 -255 C +ATOM 539 OG SER A 76 14.398 32.060 29.731 1.00 39.05 O +ANISOU 539 OG SER A 76 5010 5644 4182 -449 -836 -361 O +ATOM 540 N ILE A 77 14.761 33.752 26.683 1.00 25.70 N +ANISOU 540 N ILE A 77 3391 3635 2737 -479 -776 -385 N +ATOM 541 CA ILE A 77 14.623 35.190 26.425 1.00 27.74 C +ANISOU 541 CA ILE A 77 3767 3767 3005 -500 -788 -477 C +ATOM 542 C ILE A 77 13.432 35.454 25.512 1.00 27.45 C +ANISOU 542 C ILE A 77 3774 3651 3005 -402 -707 -485 C +ATOM 543 O ILE A 77 12.589 36.314 25.825 1.00 26.10 O +ANISOU 543 O ILE A 77 3705 3420 2793 -346 -688 -570 O +ATOM 544 CB ILE A 77 15.922 35.793 25.845 1.00 24.88 C +ANISOU 544 CB ILE A 77 3393 3340 2720 -619 -844 -457 C +ATOM 545 CG1 ILE A 77 17.027 35.727 26.895 1.00 31.69 C +ANISOU 545 CG1 ILE A 77 4224 4288 3529 -722 -934 -460 C +ATOM 546 CG2 ILE A 77 15.730 37.228 25.383 1.00 33.04 C +ANISOU 546 CG2 ILE A 77 4548 4222 3785 -638 -847 -534 C +ATOM 547 CD1 ILE A 77 18.383 36.102 26.366 1.00 30.03 C +ANISOU 547 CD1 ILE A 77 3969 4047 3392 -844 -991 -419 C +ATOM 548 N SER A 78 13.323 34.671 24.425 1.00 25.43 N +ANISOU 548 N SER A 78 3435 3405 2822 -376 -655 -396 N +ATOM 549 CA SER A 78 12.195 34.760 23.505 1.00 23.23 C +ANISOU 549 CA SER A 78 3176 3080 2572 -292 -581 -385 C +ATOM 550 C SER A 78 10.829 34.474 24.144 1.00 22.45 C +ANISOU 550 C SER A 78 3102 3038 2389 -183 -533 -416 C +ATOM 551 O SER A 78 9.836 35.144 23.853 1.00 21.21 O +ANISOU 551 O SER A 78 3007 2825 2227 -110 -493 -450 O +ATOM 552 CB SER A 78 12.401 33.849 22.303 1.00 23.80 C +ANISOU 552 CB SER A 78 3150 3173 2721 -302 -536 -289 C +ATOM 553 OG SER A 78 13.544 34.251 21.600 1.00 26.08 O +ANISOU 553 OG SER A 78 3419 3406 3086 -395 -568 -263 O +ATOM 554 N AGLN A 79 10.804 33.464 24.999 0.52 23.61 N +ANISOU 554 N AGLN A 79 3194 3301 2475 -172 -538 -393 N +ATOM 555 N BGLN A 79 10.778 33.471 25.008 0.48 23.28 N +ANISOU 555 N BGLN A 79 3154 3260 2432 -170 -537 -395 N +ATOM 556 CA AGLN A 79 9.626 33.069 25.742 0.52 25.89 C +ANISOU 556 CA AGLN A 79 3493 3669 2673 -83 -498 -415 C +ATOM 557 CA BGLN A 79 9.551 33.123 25.703 0.48 25.13 C +ANISOU 557 CA BGLN A 79 3402 3568 2578 -78 -495 -417 C +ATOM 558 C AGLN A 79 9.147 34.254 26.578 0.52 26.32 C +ANISOU 558 C AGLN A 79 3661 3683 2658 -49 -511 -529 C +ATOM 559 C BGLN A 79 9.123 34.296 26.573 0.48 26.13 C +ANISOU 559 C BGLN A 79 3641 3655 2634 -47 -510 -532 C +ATOM 560 O AGLN A 79 7.975 34.556 26.606 0.52 24.23 O +ANISOU 560 O AGLN A 79 3436 3413 2359 45 -458 -562 O +ATOM 561 O BGLN A 79 7.958 34.625 26.633 0.48 24.11 O +ANISOU 561 O BGLN A 79 3426 3393 2340 46 -458 -568 O +ATOM 562 CB AGLN A 79 9.996 31.883 26.645 0.52 28.19 C +ANISOU 562 CB AGLN A 79 3710 4088 2914 -105 -521 -366 C +ATOM 563 CB BGLN A 79 9.756 31.876 26.571 0.48 27.33 C +ANISOU 563 CB BGLN A 79 3604 3979 2802 -88 -508 -367 C +ATOM 564 CG AGLN A 79 8.854 31.178 27.352 0.52 30.28 C +ANISOU 564 CG AGLN A 79 3959 4457 3089 -27 -479 -359 C +ATOM 565 CG BGLN A 79 8.499 31.370 27.286 0.48 29.06 C +ANISOU 565 CG BGLN A 79 3823 4293 2926 -3 -463 -375 C +ATOM 566 CD AGLN A 79 9.335 29.951 28.121 0.52 29.74 C +ANISOU 566 CD AGLN A 79 3809 4505 2988 -58 -505 -287 C +ATOM 567 CD BGLN A 79 8.157 32.142 28.545 0.48 30.69 C +ANISOU 567 CD BGLN A 79 4111 4529 3021 19 -487 -476 C +ATOM 568 OE1AGLN A 79 10.468 29.913 28.596 0.52 36.75 O +ANISOU 568 OE1AGLN A 79 4673 5410 3880 -132 -571 -273 O +ATOM 569 OE1BGLN A 79 9.010 32.805 29.135 0.48 31.24 O +ANISOU 569 OE1BGLN A 79 4227 4574 3069 -48 -550 -533 O +ATOM 570 NE2AGLN A 79 8.470 28.958 28.261 0.52 28.87 N +ANISOU 570 NE2AGLN A 79 3651 4474 2843 -4 -456 -235 N +ATOM 571 NE2BGLN A 79 6.895 32.055 28.970 0.48 35.13 N +ANISOU 571 NE2BGLN A 79 4690 5152 3507 109 -433 -501 N +ATOM 572 N GLN A 80 10.073 34.926 27.255 1.00 25.07 N +ANISOU 572 N GLN A 80 3554 3495 2478 -128 -580 -590 N +ATOM 573 CA GLN A 80 9.747 36.068 28.072 1.00 26.03 C +ANISOU 573 CA GLN A 80 3794 3565 2532 -110 -592 -714 C +ATOM 574 C GLN A 80 9.320 37.289 27.241 1.00 25.98 C +ANISOU 574 C GLN A 80 3875 3398 2597 -70 -561 -759 C +ATOM 575 O GLN A 80 8.379 37.981 27.602 1.00 28.90 O +ANISOU 575 O GLN A 80 4325 3728 2927 15 -520 -838 O +ATOM 576 CB GLN A 80 10.911 36.446 28.973 1.00 33.76 C +ANISOU 576 CB GLN A 80 4803 4557 3465 -226 -678 -767 C +ATOM 577 CG GLN A 80 11.085 35.526 30.113 1.00 41.86 C +ANISOU 577 CG GLN A 80 5772 5745 4390 -248 -708 -746 C +ATOM 578 CD GLN A 80 12.327 35.873 30.915 1.00 47.85 C +ANISOU 578 CD GLN A 80 6546 6531 5104 -378 -803 -782 C +ATOM 579 OE1 GLN A 80 13.340 35.146 30.860 1.00 47.78 O +ANISOU 579 OE1 GLN A 80 6438 6589 5126 -454 -855 -689 O +ATOM 580 NE2 GLN A 80 12.272 37.011 31.636 1.00 41.46 N +ANISOU 580 NE2 GLN A 80 5861 5668 4225 -407 -825 -917 N +ATOM 581 N GLN A 81 9.993 37.531 26.137 1.00 26.22 N +ANISOU 581 N GLN A 81 3886 3342 2733 -128 -577 -704 N +ATOM 582 CA GLN A 81 9.653 38.656 25.303 1.00 26.85 C +ANISOU 582 CA GLN A 81 4042 3271 2887 -99 -554 -727 C +ATOM 583 C GLN A 81 8.291 38.433 24.681 1.00 26.91 C +ANISOU 583 C GLN A 81 4027 3293 2906 29 -473 -685 C +ATOM 584 O GLN A 81 7.509 39.340 24.567 1.00 29.59 O +ANISOU 584 O GLN A 81 4442 3543 3258 108 -438 -730 O +ATOM 585 CB GLN A 81 10.708 38.884 24.213 1.00 26.38 C +ANISOU 585 CB GLN A 81 3954 3136 2934 -199 -590 -662 C +ATOM 586 CG GLN A 81 12.090 39.332 24.706 1.00 26.66 C +ANISOU 586 CG GLN A 81 4017 3143 2970 -336 -676 -700 C +ATOM 587 CD GLN A 81 13.029 39.604 23.544 1.00 25.10 C +ANISOU 587 CD GLN A 81 3786 2874 2879 -429 -702 -630 C +ATOM 588 OE1 GLN A 81 12.715 39.287 22.389 1.00 26.18 O +ANISOU 588 OE1 GLN A 81 3866 3001 3079 -396 -656 -548 O +ATOM 589 NE2 GLN A 81 14.152 40.275 23.828 1.00 33.07 N +ANISOU 589 NE2 GLN A 81 4833 3831 3901 -551 -774 -665 N +ATOM 590 N MET A 82 7.971 37.205 24.312 1.00 27.76 N +ANISOU 590 N MET A 82 4027 3514 3006 51 -441 -597 N +ATOM 591 CA MET A 82 6.705 36.980 23.644 1.00 30.10 C +ANISOU 591 CA MET A 82 4294 3834 3309 154 -369 -549 C +ATOM 592 C MET A 82 5.542 36.947 24.613 1.00 28.03 C +ANISOU 592 C MET A 82 4056 3641 2952 262 -326 -604 C +ATOM 593 O MET A 82 4.418 37.215 24.209 1.00 29.37 O +ANISOU 593 O MET A 82 4229 3802 3126 362 -270 -589 O +ATOM 594 CB MET A 82 6.716 35.683 22.846 1.00 26.22 C +ANISOU 594 CB MET A 82 3685 3435 2841 131 -344 -441 C +ATOM 595 CG MET A 82 5.827 35.746 21.637 1.00 30.12 C +ANISOU 595 CG MET A 82 4152 3912 3380 184 -290 -376 C +ATOM 596 SD MET A 82 5.808 34.198 20.744 1.00 31.16 S +ANISOU 596 SD MET A 82 4160 4152 3527 144 -254 -271 S +ATOM 597 CE MET A 82 7.371 34.280 19.895 1.00 20.60 C +ANISOU 597 CE MET A 82 2802 2742 2282 18 -297 -239 C +ATOM 598 N ASN A 83 5.811 36.606 25.875 1.00 23.30 N +ANISOU 598 N ASN A 83 3467 3121 2265 242 -353 -660 N +ATOM 599 CA ASN A 83 4.779 36.452 26.881 1.00 24.25 C +ANISOU 599 CA ASN A 83 3601 3333 2279 333 -312 -711 C +ATOM 600 C ASN A 83 4.629 37.615 27.910 1.00 30.25 C +ANISOU 600 C ASN A 83 4482 4031 2980 367 -315 -851 C +ATOM 601 O ASN A 83 3.763 37.576 28.769 1.00 37.67 O +ANISOU 601 O ASN A 83 5438 5047 3827 447 -274 -904 O +ATOM 602 CB ASN A 83 4.969 35.111 27.576 1.00 27.30 C +ANISOU 602 CB ASN A 83 3903 3877 2593 296 -327 -664 C +ATOM 603 CG ASN A 83 4.511 33.953 26.680 1.00 31.61 C +ANISOU 603 CG ASN A 83 4342 4492 3176 311 -287 -544 C +ATOM 604 OD1 ASN A 83 3.339 33.822 26.388 1.00 31.09 O +ANISOU 604 OD1 ASN A 83 4254 4465 3092 397 -227 -520 O +ATOM 605 ND2 ASN A 83 5.450 33.210 26.160 1.00 31.07 N +ANISOU 605 ND2 ASN A 83 4211 4429 3167 225 -318 -473 N +ATOM 606 N ASN A 84 5.459 38.650 27.790 1.00 27.05 N +ANISOU 606 N ASN A 84 4163 3485 2628 303 -360 -911 N +ATOM 607 CA ASN A 84 5.421 39.776 28.729 1.00 27.70 C +ANISOU 607 CA ASN A 84 4374 3489 2660 317 -363 -1056 C +ATOM 608 C ASN A 84 5.420 41.076 27.934 1.00 32.25 C +ANISOU 608 C ASN A 84 5042 3865 3345 339 -352 -1086 C +ATOM 609 O ASN A 84 6.413 41.416 27.288 1.00 29.00 O +ANISOU 609 O ASN A 84 4643 3360 3016 238 -406 -1057 O +ATOM 610 CB ASN A 84 6.628 39.719 29.672 1.00 28.24 C +ANISOU 610 CB ASN A 84 4469 3595 2665 183 -444 -1115 C +ATOM 611 CG ASN A 84 6.518 40.678 30.804 1.00 30.99 C +ANISOU 611 CG ASN A 84 4945 3900 2929 188 -443 -1274 C +ATOM 612 OD1 ASN A 84 5.834 41.715 30.692 1.00 36.42 O +ANISOU 612 OD1 ASN A 84 5731 4460 3649 276 -390 -1353 O +ATOM 613 ND2 ASN A 84 7.185 40.369 31.914 1.00 31.82 N +ANISOU 613 ND2 ASN A 84 5054 4110 2926 94 -499 -1325 N +ATOM 614 N PHE A 85 4.307 41.792 27.950 1.00 29.91 N +ANISOU 614 N PHE A 85 4804 3505 3055 473 -281 -1134 N +ATOM 615 CA PHE A 85 4.221 43.070 27.232 1.00 32.22 C +ANISOU 615 CA PHE A 85 5188 3595 3458 508 -266 -1155 C +ATOM 616 C PHE A 85 5.244 44.112 27.722 1.00 31.38 C +ANISOU 616 C PHE A 85 5213 3343 3367 402 -323 -1272 C +ATOM 617 O PHE A 85 5.488 45.122 27.065 1.00 32.07 O +ANISOU 617 O PHE A 85 5377 3250 3558 390 -330 -1277 O +ATOM 618 CB PHE A 85 2.807 43.647 27.361 1.00 35.85 C +ANISOU 618 CB PHE A 85 5685 4019 3915 686 -173 -1194 C +ATOM 619 CG PHE A 85 1.794 42.969 26.492 1.00 37.41 C +ANISOU 619 CG PHE A 85 5764 4310 4139 784 -121 -1060 C +ATOM 620 CD1 PHE A 85 2.112 42.589 25.190 1.00 43.47 C +ANISOU 620 CD1 PHE A 85 6453 5071 4993 730 -147 -923 C +ATOM 621 CD2 PHE A 85 0.529 42.723 26.957 1.00 38.75 C +ANISOU 621 CD2 PHE A 85 5900 4582 4242 923 -45 -1070 C +ATOM 622 CE1 PHE A 85 1.160 41.970 24.367 1.00 41.66 C +ANISOU 622 CE1 PHE A 85 6116 4935 4779 807 -101 -802 C +ATOM 623 CE2 PHE A 85 -0.422 42.096 26.144 1.00 35.23 C +ANISOU 623 CE2 PHE A 85 5339 4233 3815 1001 -1 -942 C +ATOM 624 CZ PHE A 85 -0.114 41.727 24.859 1.00 32.39 C +ANISOU 624 CZ PHE A 85 4907 3864 3537 941 -30 -811 C +ATOM 625 N ASP A 86 5.822 43.889 28.891 1.00 35.17 N +ANISOU 625 N ASP A 86 5722 3901 3738 321 -364 -1364 N +ATOM 626 CA ASP A 86 6.798 44.831 29.421 1.00 37.91 C +ANISOU 626 CA ASP A 86 6192 4128 4083 203 -422 -1480 C +ATOM 627 C ASP A 86 8.145 44.697 28.701 1.00 36.00 C +ANISOU 627 C ASP A 86 5908 3856 3916 43 -511 -1397 C +ATOM 628 O ASP A 86 9.012 45.529 28.866 1.00 38.53 O +ANISOU 628 O ASP A 86 6321 4061 4259 -69 -565 -1467 O +ATOM 629 CB ASP A 86 6.992 44.628 30.929 1.00 38.83 C +ANISOU 629 CB ASP A 86 6348 4361 4044 154 -442 -1603 C +ATOM 630 CG ASP A 86 5.859 45.223 31.751 1.00 46.56 C +ANISOU 630 CG ASP A 86 7421 5315 4953 290 -355 -1737 C +ATOM 631 OD1 ASP A 86 5.061 46.021 31.216 1.00 55.63 O +ANISOU 631 OD1 ASP A 86 8628 6319 6188 413 -285 -1753 O +ATOM 632 OD2 ASP A 86 5.777 44.892 32.947 1.00 53.34 O +ANISOU 632 OD2 ASP A 86 8291 6306 5669 273 -354 -1823 O +ATOM 633 N PHE A 87 8.312 43.668 27.878 1.00 32.45 N +ANISOU 633 N PHE A 87 5319 3507 3504 30 -521 -1250 N +ATOM 634 CA PHE A 87 9.582 43.452 27.192 1.00 32.25 C +ANISOU 634 CA PHE A 87 5237 3471 3545 -114 -595 -1167 C +ATOM 635 C PHE A 87 9.381 43.426 25.687 1.00 37.46 C +ANISOU 635 C PHE A 87 5839 4068 4327 -80 -568 -1041 C +ATOM 636 O PHE A 87 8.570 42.636 25.179 1.00 41.45 O +ANISOU 636 O PHE A 87 6254 4661 4834 13 -515 -957 O +ATOM 637 CB PHE A 87 10.186 42.100 27.572 1.00 34.13 C +ANISOU 637 CB PHE A 87 5348 3902 3717 -181 -636 -1099 C +ATOM 638 CG PHE A 87 10.565 41.958 29.013 1.00 36.21 C +ANISOU 638 CG PHE A 87 5642 4263 3853 -241 -679 -1193 C +ATOM 639 CD1 PHE A 87 11.259 42.949 29.676 1.00 46.88 C +ANISOU 639 CD1 PHE A 87 7107 5529 5174 -342 -733 -1309 C +ATOM 640 CD2 PHE A 87 10.256 40.797 29.696 1.00 48.73 C +ANISOU 640 CD2 PHE A 87 7138 6033 5344 -208 -669 -1158 C +ATOM 641 CE1 PHE A 87 11.605 42.798 31.022 1.00 47.32 C +ANISOU 641 CE1 PHE A 87 7188 5695 5097 -410 -776 -1395 C +ATOM 642 CE2 PHE A 87 10.608 40.632 31.027 1.00 47.38 C +ANISOU 642 CE2 PHE A 87 6986 5970 5045 -269 -713 -1232 C +ATOM 643 CZ PHE A 87 11.272 41.631 31.687 1.00 46.63 C +ANISOU 643 CZ PHE A 87 7004 5801 4911 -370 -766 -1351 C +ATOM 644 N GLU A 88 10.193 44.190 24.968 1.00 31.44 N +ANISOU 644 N GLU A 88 5116 3172 3656 -173 -611 -1020 N +ATOM 645 CA GLU A 88 10.149 44.204 23.508 1.00 33.17 C +ANISOU 645 CA GLU A 88 5279 3339 3985 -166 -593 -896 C +ATOM 646 C GLU A 88 10.612 42.886 22.889 1.00 29.59 C +ANISOU 646 C GLU A 88 4672 3037 3534 -213 -603 -776 C +ATOM 647 O GLU A 88 11.694 42.344 23.184 1.00 29.71 O +ANISOU 647 O GLU A 88 4633 3129 3528 -326 -659 -764 O +ATOM 648 CB GLU A 88 10.975 45.378 22.930 1.00 37.93 C +ANISOU 648 CB GLU A 88 5965 3764 4682 -268 -640 -900 C +ATOM 649 CG GLU A 88 10.439 46.767 23.314 1.00 54.27 C +ANISOU 649 CG GLU A 88 8197 5644 6780 -210 -618 -1008 C +ATOM 650 CD GLU A 88 9.016 47.024 22.804 1.00 59.18 C +ANISOU 650 CD GLU A 88 8828 6217 7442 -32 -532 -972 C +ATOM 651 OE1 GLU A 88 8.738 46.815 21.587 1.00 52.36 O +ANISOU 651 OE1 GLU A 88 7887 5359 6648 -3 -511 -840 O +ATOM 652 OE2 GLU A 88 8.181 47.438 23.643 1.00 65.07 O +ANISOU 652 OE2 GLU A 88 9655 6926 8142 77 -484 -1076 O +ATOM 653 N PHE A 89 9.772 42.394 21.996 1.00 28.37 N +ANISOU 653 N PHE A 89 4448 2923 3409 -125 -544 -687 N +ATOM 654 CA PHE A 89 10.051 41.239 21.192 1.00 24.73 C +ANISOU 654 CA PHE A 89 3854 2578 2965 -159 -535 -576 C +ATOM 655 C PHE A 89 11.046 41.508 20.062 1.00 24.56 C +ANISOU 655 C PHE A 89 3802 2496 3034 -270 -568 -500 C +ATOM 656 O PHE A 89 10.908 42.483 19.297 1.00 25.13 O +ANISOU 656 O PHE A 89 3930 2442 3176 -269 -564 -478 O +ATOM 657 CB PHE A 89 8.758 40.706 20.604 1.00 23.90 C +ANISOU 657 CB PHE A 89 3694 2535 2852 -39 -461 -513 C +ATOM 658 CG PHE A 89 8.957 39.453 19.791 1.00 25.32 C +ANISOU 658 CG PHE A 89 3745 2833 3041 -74 -442 -411 C +ATOM 659 CD1 PHE A 89 9.511 38.334 20.372 1.00 24.41 C +ANISOU 659 CD1 PHE A 89 3558 2835 2880 -118 -458 -408 C +ATOM 660 CD2 PHE A 89 8.640 39.423 18.441 1.00 24.79 C +ANISOU 660 CD2 PHE A 89 3632 2755 3031 -70 -409 -319 C +ATOM 661 CE1 PHE A 89 9.719 37.170 19.639 1.00 23.83 C +ANISOU 661 CE1 PHE A 89 3376 2855 2824 -147 -433 -324 C +ATOM 662 CE2 PHE A 89 8.837 38.287 17.692 1.00 26.47 C +ANISOU 662 CE2 PHE A 89 3738 3072 3249 -109 -386 -242 C +ATOM 663 CZ PHE A 89 9.352 37.136 18.278 1.00 24.31 C +ANISOU 663 CZ PHE A 89 3397 2902 2936 -144 -392 -247 C +ATOM 664 N GLU A 90 12.048 40.642 19.948 1.00 25.13 N +ANISOU 664 N GLU A 90 3782 2661 3106 -363 -598 -456 N +ATOM 665 CA GLU A 90 13.108 40.803 18.942 1.00 27.00 C +ANISOU 665 CA GLU A 90 3975 2863 3420 -478 -626 -386 C +ATOM 666 C GLU A 90 13.190 39.575 18.052 1.00 30.25 C +ANISOU 666 C GLU A 90 4257 3390 3847 -482 -584 -290 C +ATOM 667 O GLU A 90 12.945 38.451 18.525 1.00 24.95 O +ANISOU 667 O GLU A 90 3519 2834 3125 -440 -560 -286 O +ATOM 668 CB GLU A 90 14.473 40.911 19.609 1.00 29.83 C +ANISOU 668 CB GLU A 90 4332 3231 3772 -604 -702 -419 C +ATOM 669 CG GLU A 90 14.761 42.155 20.404 1.00 36.01 C +ANISOU 669 CG GLU A 90 5244 3895 4545 -652 -757 -517 C +ATOM 670 CD GLU A 90 16.134 42.030 21.056 1.00 36.91 C +ANISOU 670 CD GLU A 90 5326 4060 4638 -789 -836 -535 C +ATOM 671 OE1 GLU A 90 16.240 41.371 22.098 1.00 32.44 O +ANISOU 671 OE1 GLU A 90 4731 3600 3994 -783 -855 -571 O +ATOM 672 OE2 GLU A 90 17.117 42.524 20.479 1.00 48.13 O +ANISOU 672 OE2 GLU A 90 6738 5430 6119 -905 -878 -498 O +ATOM 673 N MET A 91 13.550 39.770 16.781 1.00 29.53 N +ANISOU 673 N MET A 91 4130 3267 3822 -537 -574 -215 N +ATOM 674 CA MET A 91 13.881 38.644 15.891 1.00 29.00 C +ANISOU 674 CA MET A 91 3942 3304 3773 -567 -534 -136 C +ATOM 675 C MET A 91 15.396 38.535 15.809 1.00 27.14 C +ANISOU 675 C MET A 91 3651 3085 3575 -691 -579 -116 C +ATOM 676 O MET A 91 16.068 39.527 15.657 1.00 26.06 O +ANISOU 676 O MET A 91 3562 2863 3478 -772 -628 -120 O +ATOM 677 CB MET A 91 13.288 38.887 14.486 1.00 29.06 C +ANISOU 677 CB MET A 91 3936 3288 3817 -555 -487 -63 C +ATOM 678 CG MET A 91 11.775 38.927 14.486 1.00 28.73 C +ANISOU 678 CG MET A 91 3928 3250 3739 -432 -441 -65 C +ATOM 679 SD MET A 91 10.991 39.825 13.122 1.00 30.28 S +ANISOU 679 SD MET A 91 4149 3378 3978 -410 -414 15 S +ATOM 680 CE MET A 91 11.507 38.754 11.776 1.00 29.59 C +ANISOU 680 CE MET A 91 3938 3406 3900 -497 -372 100 C +ATOM 681 N LEU A 92 15.954 37.332 15.942 1.00 27.11 N +ANISOU 681 N LEU A 92 3786 3154 3360 61 -64 -170 N +ATOM 682 CA LEU A 92 17.401 37.166 15.913 1.00 28.60 C +ANISOU 682 CA LEU A 92 3867 3427 3571 -16 -2 -151 C +ATOM 683 C LEU A 92 17.924 37.158 14.469 1.00 30.65 C +ANISOU 683 C LEU A 92 4158 3694 3794 -66 88 -75 C +ATOM 684 O LEU A 92 17.744 36.199 13.702 1.00 26.81 O +ANISOU 684 O LEU A 92 3689 3248 3250 1 149 -61 O +ATOM 685 CB LEU A 92 17.801 35.905 16.655 1.00 23.80 C +ANISOU 685 CB LEU A 92 3137 2942 2966 70 33 -176 C +ATOM 686 CG LEU A 92 19.284 35.707 16.978 1.00 30.93 C +ANISOU 686 CG LEU A 92 3890 3979 3883 24 84 -154 C +ATOM 687 CD1 LEU A 92 19.877 36.891 17.751 1.00 31.17 C +ANISOU 687 CD1 LEU A 92 3870 4011 3962 -94 0 -190 C +ATOM 688 CD2 LEU A 92 19.390 34.463 17.799 1.00 40.28 C +ANISOU 688 CD2 LEU A 92 4980 5271 5052 159 123 -170 C +ATOM 689 N LEU A 93 18.523 38.287 14.101 1.00 26.22 N +ANISOU 689 N LEU A 93 3618 3080 3264 -183 100 -28 N +ATOM 690 CA LEU A 93 18.889 38.554 12.720 1.00 25.93 C +ANISOU 690 CA LEU A 93 3631 3030 3189 -218 189 66 C +ATOM 691 C LEU A 93 20.270 39.175 12.699 1.00 34.04 C +ANISOU 691 C LEU A 93 4560 4090 4284 -359 244 126 C +ATOM 692 O LEU A 93 20.714 39.768 13.685 1.00 27.91 O +ANISOU 692 O LEU A 93 3717 3301 3585 -458 183 80 O +ATOM 693 CB LEU A 93 17.870 39.518 12.089 1.00 27.17 C +ANISOU 693 CB LEU A 93 3953 3054 3315 -204 162 97 C +ATOM 694 CG LEU A 93 16.388 39.098 11.985 1.00 26.32 C +ANISOU 694 CG LEU A 93 3933 2932 3137 -76 98 54 C +ATOM 695 CD1 LEU A 93 15.472 40.305 11.694 1.00 33.18 C +ANISOU 695 CD1 LEU A 93 4944 3682 3983 -55 63 95 C +ATOM 696 CD2 LEU A 93 16.198 38.033 10.931 1.00 26.27 C +ANISOU 696 CD2 LEU A 93 3936 3010 3035 -2 148 63 C +ATOM 697 N PRO A 94 20.959 39.086 11.568 1.00 32.71 N +ANISOU 697 N PRO A 94 4376 3969 4082 -374 357 230 N +ATOM 698 CA PRO A 94 22.277 39.713 11.535 1.00 31.91 C +ANISOU 698 CA PRO A 94 4156 3908 4059 -524 416 307 C +ATOM 699 C PRO A 94 22.249 41.230 11.741 1.00 40.80 C +ANISOU 699 C PRO A 94 5352 4869 5281 -681 378 314 C +ATOM 700 O PRO A 94 21.221 41.864 11.463 1.00 32.13 O +ANISOU 700 O PRO A 94 4428 3620 4161 -639 350 309 O +ATOM 701 CB PRO A 94 22.774 39.391 10.116 1.00 34.42 C +ANISOU 701 CB PRO A 94 4485 4289 4305 -473 559 438 C +ATOM 702 CG PRO A 94 21.961 38.163 9.703 1.00 37.51 C +ANISOU 702 CG PRO A 94 4956 4723 4572 -288 561 387 C +ATOM 703 CD PRO A 94 20.630 38.403 10.309 1.00 34.00 C +ANISOU 703 CD PRO A 94 4619 4166 4133 -258 435 282 C +ATOM 704 N ASP A 95 23.389 41.790 12.162 1.00 40.42 N +ANISOU 704 N ASP A 95 5168 4854 5336 -858 387 334 N +ATOM 705 CA ASP A 95 23.516 43.211 12.475 1.00 41.97 C +ANISOU 705 CA ASP A 95 5426 4875 5645 -1044 354 321 C +ATOM 706 C ASP A 95 23.326 44.046 11.222 1.00 43.92 C +ANISOU 706 C ASP A 95 5820 4972 5897 -1063 470 459 C +ATOM 707 O ASP A 95 23.499 43.555 10.103 1.00 36.47 O +ANISOU 707 O ASP A 95 4868 4109 4878 -969 584 579 O +ATOM 708 CB ASP A 95 24.910 43.516 13.047 1.00 56.68 C +ANISOU 708 CB ASP A 95 7080 6839 7619 -1256 347 319 C +ATOM 709 CG ASP A 95 24.858 44.148 14.424 1.00 70.50 C +ANISOU 709 CG ASP A 95 8826 8522 9439 -1378 196 156 C +ATOM 710 OD1 ASP A 95 24.598 45.373 14.507 1.00 74.62 O +ANISOU 710 OD1 ASP A 95 9495 8818 10041 -1510 175 128 O +ATOM 711 OD2 ASP A 95 25.092 43.419 15.424 1.00 74.16 O +ANISOU 711 OD2 ASP A 95 9149 9158 9870 -1331 107 58 O +ATOM 712 N ASP A 96 23.020 45.329 11.433 1.00 46.38 N +ANISOU 712 N ASP A 96 6271 5062 6290 -1175 450 444 N +ATOM 713 CA ASP A 96 22.661 46.249 10.348 1.00 43.07 C +ANISOU 713 CA ASP A 96 6027 4466 5871 -1164 566 579 C +ATOM 714 C ASP A 96 23.799 46.544 9.397 1.00 42.42 C +ANISOU 714 C ASP A 96 5848 4416 5852 -1282 724 751 C +ATOM 715 O ASP A 96 23.567 46.961 8.269 1.00 59.66 O +ANISOU 715 O ASP A 96 8150 6524 7996 -1209 851 899 O +ATOM 716 CB ASP A 96 22.098 47.557 10.922 1.00 56.65 C +ANISOU 716 CB ASP A 96 7936 5919 7669 -1250 520 520 C +ATOM 717 CG ASP A 96 20.723 47.364 11.576 1.00 67.01 C +ANISOU 717 CG ASP A 96 9385 7189 8886 -1069 400 402 C +ATOM 718 OD1 ASP A 96 19.727 47.116 10.848 1.00 69.18 O +ANISOU 718 OD1 ASP A 96 9772 7473 9040 -870 428 463 O +ATOM 719 OD2 ASP A 96 20.641 47.448 12.823 1.00 70.07 O +ANISOU 719 OD2 ASP A 96 9758 7552 9313 -1121 275 251 O +ATOM 720 N ASP A 97 25.030 46.325 9.838 1.00 44.11 N +ANISOU 720 N ASP A 97 5839 4764 6158 -1450 722 746 N +ATOM 721 CA ASP A 97 26.189 46.593 8.992 1.00 49.84 C +ANISOU 721 CA ASP A 97 6436 5544 6956 -1572 879 927 C +ATOM 722 C ASP A 97 26.520 45.419 8.039 1.00 52.51 C +ANISOU 722 C ASP A 97 6676 6116 7158 -1381 983 1046 C +ATOM 723 O ASP A 97 27.429 45.529 7.221 1.00 50.73 O +ANISOU 723 O ASP A 97 6348 5964 6963 -1430 1133 1222 O +ATOM 724 CB ASP A 97 27.410 46.920 9.861 1.00 57.93 C +ANISOU 724 CB ASP A 97 7236 6635 8138 -1849 831 881 C +ATOM 725 CG ASP A 97 27.859 45.728 10.687 1.00 64.74 C +ANISOU 725 CG ASP A 97 7881 7777 8941 -1793 729 779 C +ATOM 726 OD1 ASP A 97 29.074 45.562 10.923 1.00 72.21 O +ANISOU 726 OD1 ASP A 97 8573 8909 9956 -1937 747 822 O +ATOM 727 OD2 ASP A 97 26.985 44.944 11.089 1.00 66.30 O +ANISOU 727 OD2 ASP A 97 8156 8016 9020 -1595 640 668 O +ATOM 728 N GLU A 98 25.797 44.302 8.141 1.00 42.27 N +ANISOU 728 N GLU A 98 5415 4930 5714 -1166 914 955 N +ATOM 729 CA GLU A 98 25.915 43.245 7.130 1.00 45.53 C +ANISOU 729 CA GLU A 98 5808 5514 5979 -965 1017 1049 C +ATOM 730 C GLU A 98 25.245 43.673 5.814 1.00 46.64 C +ANISOU 730 C GLU A 98 6146 5551 6023 -834 1121 1169 C +ATOM 731 O GLU A 98 24.467 44.625 5.785 1.00 47.10 O +ANISOU 731 O GLU A 98 6371 5414 6110 -855 1097 1162 O +ATOM 732 CB GLU A 98 25.321 41.922 7.619 1.00 40.12 C +ANISOU 732 CB GLU A 98 5120 4948 5176 -793 919 907 C +ATOM 733 CG GLU A 98 25.945 41.374 8.916 1.00 45.56 C +ANISOU 733 CG GLU A 98 5614 5768 5927 -869 829 801 C +ATOM 734 CD GLU A 98 27.440 41.068 8.768 1.00 50.24 C +ANISOU 734 CD GLU A 98 5970 6564 6557 -938 934 922 C +ATOM 735 OE1 GLU A 98 27.832 40.528 7.722 1.00 46.07 O +ANISOU 735 OE1 GLU A 98 5432 6135 5936 -815 1074 1054 O +ATOM 736 OE2 GLU A 98 28.222 41.393 9.688 1.00 56.20 O +ANISOU 736 OE2 GLU A 98 6543 7388 7421 -1110 876 889 O +ATOM 737 N SER A 99 25.535 42.957 4.730 1.00 46.96 N +ANISOU 737 N SER A 99 6177 5732 5933 -674 1239 1280 N +ATOM 738 CA SER A 99 25.041 43.347 3.408 1.00 43.06 C +ANISOU 738 CA SER A 99 5851 5183 5326 -533 1349 1410 C +ATOM 739 C SER A 99 23.539 43.193 3.349 1.00 40.13 C +ANISOU 739 C SER A 99 5673 4743 4833 -381 1234 1287 C +ATOM 740 O SER A 99 22.939 42.400 4.086 1.00 36.92 O +ANISOU 740 O SER A 99 5260 4376 4391 -338 1096 1116 O +ATOM 741 CB SER A 99 25.681 42.495 2.293 1.00 44.16 C +ANISOU 741 CB SER A 99 5944 5511 5322 -368 1492 1535 C +ATOM 742 OG SER A 99 25.223 41.126 2.350 1.00 39.35 O +ANISOU 742 OG SER A 99 5359 5028 4565 -201 1416 1395 O +ATOM 743 N LEU A 100 22.932 43.951 2.454 1.00 39.71 N +ANISOU 743 N LEU A 100 5781 4597 4710 -291 1300 1390 N +ATOM 744 CA LEU A 100 21.513 43.856 2.227 1.00 38.56 C +ANISOU 744 CA LEU A 100 5801 4424 4425 -130 1202 1305 C +ATOM 745 C LEU A 100 21.134 42.424 1.880 1.00 40.90 C +ANISOU 745 C LEU A 100 6090 4900 4551 32 1141 1196 C +ATOM 746 O LEU A 100 20.154 41.914 2.399 1.00 35.60 O +ANISOU 746 O LEU A 100 5458 4234 3835 78 997 1040 O +ATOM 747 CB LEU A 100 21.093 44.771 1.092 1.00 40.16 C +ANISOU 747 CB LEU A 100 6158 4560 4540 -13 1317 1470 C +ATOM 748 CG LEU A 100 19.587 44.759 0.838 1.00 39.27 C +ANISOU 748 CG LEU A 100 6199 4451 4270 163 1211 1396 C +ATOM 749 CD1 LEU A 100 18.836 45.028 2.114 1.00 37.89 C +ANISOU 749 CD1 LEU A 100 6042 4158 4198 76 1058 1249 C +ATOM 750 CD2 LEU A 100 19.237 45.802 -0.244 1.00 53.04 C +ANISOU 750 CD2 LEU A 100 8092 6135 5926 293 1343 1587 C +ATOM 751 N VAL A 101 21.901 41.774 1.010 1.00 38.03 N +ANISOU 751 N VAL A 101 5683 4675 4092 118 1258 1280 N +ATOM 752 CA VAL A 101 21.526 40.436 0.574 1.00 43.16 C +ANISOU 752 CA VAL A 101 6367 5467 4566 278 1213 1170 C +ATOM 753 C VAL A 101 21.616 39.449 1.751 1.00 40.34 C +ANISOU 753 C VAL A 101 5905 5138 4286 206 1107 1001 C +ATOM 754 O VAL A 101 20.761 38.584 1.906 1.00 34.16 O +ANISOU 754 O VAL A 101 5177 4383 3421 280 1000 848 O +ATOM 755 CB VAL A 101 22.348 39.950 -0.660 1.00 43.15 C +ANISOU 755 CB VAL A 101 6369 5604 4421 417 1376 1299 C +ATOM 756 CG1 VAL A 101 23.792 39.724 -0.310 1.00 46.12 C +ANISOU 756 CG1 VAL A 101 6569 6043 4911 324 1488 1391 C +ATOM 757 CG2 VAL A 101 21.735 38.672 -1.237 1.00 51.85 C +ANISOU 757 CG2 VAL A 101 7568 6818 5313 593 1317 1158 C +ATOM 758 N THR A 102 22.632 39.590 2.598 1.00 35.55 N +ANISOU 758 N THR A 102 5139 4529 3839 59 1138 1033 N +ATOM 759 CA THR A 102 22.735 38.724 3.788 1.00 35.66 C +ANISOU 759 CA THR A 102 5048 4581 3922 10 1046 890 C +ATOM 760 C THR A 102 21.547 38.931 4.727 1.00 32.53 C +ANISOU 760 C THR A 102 4709 4075 3577 -30 879 741 C +ATOM 761 O THR A 102 20.976 37.981 5.255 1.00 31.15 O +ANISOU 761 O THR A 102 4536 3927 3371 24 793 605 O +ATOM 762 CB THR A 102 24.058 38.988 4.540 1.00 37.45 C +ANISOU 762 CB THR A 102 5074 4854 4301 -143 1100 960 C +ATOM 763 OG1 THR A 102 25.136 38.405 3.797 1.00 39.76 O +ANISOU 763 OG1 THR A 102 5286 5296 4524 -66 1253 1085 O +ATOM 764 CG2 THR A 102 24.030 38.406 5.960 1.00 46.24 C +ANISOU 764 CG2 THR A 102 6082 5991 5495 -199 984 815 C +ATOM 765 N ARG A 103 21.147 40.177 4.903 1.00 32.94 N +ANISOU 765 N ARG A 103 4818 3995 3704 -112 846 778 N +ATOM 766 CA ARG A 103 20.103 40.464 5.864 1.00 31.69 C +ANISOU 766 CA ARG A 103 4709 3737 3596 -139 701 657 C +ATOM 767 C ARG A 103 18.760 40.012 5.333 1.00 30.89 C +ANISOU 767 C ARG A 103 4731 3654 3351 11 629 589 C +ATOM 768 O ARG A 103 17.965 39.451 6.059 1.00 32.24 O +ANISOU 768 O ARG A 103 4897 3826 3525 34 516 463 O +ATOM 769 CB ARG A 103 20.128 41.940 6.223 1.00 32.66 C +ANISOU 769 CB ARG A 103 4876 3698 3836 -261 702 716 C +ATOM 770 CG ARG A 103 21.313 42.278 7.114 1.00 36.93 C +ANISOU 770 CG ARG A 103 5268 4226 4538 -449 716 719 C +ATOM 771 CD ARG A 103 21.345 43.756 7.533 1.00 44.42 C +ANISOU 771 CD ARG A 103 6281 4980 5616 -599 712 750 C +ATOM 772 NE ARG A 103 21.784 44.608 6.443 1.00 43.89 N +ANISOU 772 NE ARG A 103 6274 4841 5559 -628 862 927 N +ATOM 773 CZ ARG A 103 21.013 45.456 5.770 1.00 44.36 C +ANISOU 773 CZ ARG A 103 6515 4768 5570 -550 909 1008 C +ATOM 774 NH1 ARG A 103 21.549 46.170 4.788 1.00 47.29 N +ANISOU 774 NH1 ARG A 103 6925 5085 5957 -570 1070 1190 N +ATOM 775 NH2 ARG A 103 19.730 45.607 6.070 1.00 44.07 N +ANISOU 775 NH2 ARG A 103 6612 4664 5468 -439 809 927 N +ATOM 776 N ALA A 104 18.523 40.227 4.051 1.00 31.91 N +ANISOU 776 N ALA A 104 4961 3815 3350 114 696 678 N +ATOM 777 CA ALA A 104 17.274 39.813 3.422 1.00 31.56 C +ANISOU 777 CA ALA A 104 5019 3825 3147 252 619 613 C +ATOM 778 C ALA A 104 17.115 38.293 3.428 1.00 30.66 C +ANISOU 778 C ALA A 104 4874 3815 2962 303 571 476 C +ATOM 779 O ALA A 104 16.044 37.810 3.758 1.00 29.75 O +ANISOU 779 O ALA A 104 4778 3709 2818 330 452 358 O +ATOM 780 CB ALA A 104 17.211 40.315 2.006 1.00 33.65 C +ANISOU 780 CB ALA A 104 5386 4135 3265 368 709 741 C +ATOM 781 N GLN A 105 18.160 37.545 3.060 1.00 40.72 N +ANISOU 781 N GLN A 105 6103 5160 4210 319 673 499 N +ATOM 782 CA GLN A 105 18.105 36.056 3.147 1.00 30.47 C +ANISOU 782 CA GLN A 105 4795 3926 2856 368 652 367 C +ATOM 783 C GLN A 105 17.777 35.607 4.572 1.00 28.91 C +ANISOU 783 C GLN A 105 4514 3676 2793 291 559 255 C +ATOM 784 O GLN A 105 16.946 34.724 4.795 1.00 28.61 O +ANISOU 784 O GLN A 105 4504 3640 2727 319 480 127 O +ATOM 785 CB GLN A 105 19.436 35.418 2.732 1.00 32.41 C +ANISOU 785 CB GLN A 105 4997 4247 3070 407 800 434 C +ATOM 786 CG GLN A 105 19.402 33.867 2.768 1.00 35.09 C +ANISOU 786 CG GLN A 105 5365 4625 3343 479 805 304 C +ATOM 787 CD GLN A 105 18.397 33.343 1.745 1.00 37.73 C +ANISOU 787 CD GLN A 105 5853 4984 3501 573 744 199 C +ATOM 788 OE1 GLN A 105 18.212 33.943 0.686 1.00 50.84 O +ANISOU 788 OE1 GLN A 105 7592 6691 5036 641 761 267 O +ATOM 789 NE2 GLN A 105 17.703 32.285 2.085 1.00 42.72 N +ANISOU 789 NE2 GLN A 105 6521 5587 4124 571 669 37 N +ATOM 790 N ALA A 106 18.435 36.213 5.551 1.00 28.59 N +ANISOU 790 N ALA A 106 4369 3593 2899 192 570 303 N +ATOM 791 CA ALA A 106 18.220 35.812 6.965 1.00 33.29 C +ANISOU 791 CA ALA A 106 4880 4159 3610 143 490 208 C +ATOM 792 C ALA A 106 16.777 36.076 7.404 1.00 32.44 C +ANISOU 792 C ALA A 106 4828 3986 3510 151 356 129 C +ATOM 793 O ALA A 106 16.166 35.256 8.106 1.00 26.42 O +ANISOU 793 O ALA A 106 4040 3223 2775 170 293 30 O +ATOM 794 CB ALA A 106 19.198 36.529 7.878 1.00 27.44 C +ANISOU 794 CB ALA A 106 4019 3404 3003 34 511 265 C +ATOM 795 N PHE A 107 16.223 37.212 6.967 1.00 28.19 N +ANISOU 795 N PHE A 107 4366 3399 2945 151 326 189 N +ATOM 796 CA PHE A 107 14.835 37.543 7.245 1.00 27.60 C +ANISOU 796 CA PHE A 107 4344 3290 2854 186 211 143 C +ATOM 797 C PHE A 107 13.881 36.493 6.668 1.00 26.61 C +ANISOU 797 C PHE A 107 4250 3242 2619 257 153 52 C +ATOM 798 O PHE A 107 12.972 36.021 7.347 1.00 27.42 O +ANISOU 798 O PHE A 107 4322 3342 2755 261 64 -30 O +ATOM 799 CB PHE A 107 14.475 38.925 6.699 1.00 27.47 C +ANISOU 799 CB PHE A 107 4419 3217 2799 207 219 247 C +ATOM 800 CG PHE A 107 13.009 39.162 6.667 1.00 32.02 C +ANISOU 800 CG PHE A 107 5050 3806 3308 287 117 222 C +ATOM 801 CD1 PHE A 107 12.310 39.369 7.843 1.00 29.74 C +ANISOU 801 CD1 PHE A 107 4734 3463 3101 280 31 176 C +ATOM 802 CD2 PHE A 107 12.315 39.111 5.476 1.00 31.97 C +ANISOU 802 CD2 PHE A 107 5111 3892 3143 384 103 245 C +ATOM 803 CE1 PHE A 107 10.948 39.545 7.826 1.00 29.20 C +ANISOU 803 CE1 PHE A 107 4695 3433 2968 366 -56 170 C +ATOM 804 CE2 PHE A 107 10.955 39.285 5.462 1.00 36.59 C +ANISOU 804 CE2 PHE A 107 5716 4527 3659 460 2 228 C +ATOM 805 CZ PHE A 107 10.276 39.497 6.637 1.00 32.05 C +ANISOU 805 CZ PHE A 107 5103 3898 3176 450 -73 197 C +ATOM 806 N SER A 108 14.114 36.103 5.421 1.00 27.35 N +ANISOU 806 N SER A 108 4405 3406 2583 309 207 64 N +ATOM 807 CA SER A 108 13.310 35.087 4.772 1.00 29.95 C +ANISOU 807 CA SER A 108 4776 3808 2797 357 149 -45 C +ATOM 808 C SER A 108 13.421 33.741 5.523 1.00 29.87 C +ANISOU 808 C SER A 108 4713 3774 2864 319 148 -161 C +ATOM 809 O SER A 108 12.457 33.050 5.738 1.00 27.02 O +ANISOU 809 O SER A 108 4346 3418 2504 307 64 -264 O +ATOM 810 CB SER A 108 13.817 34.909 3.328 1.00 34.18 C +ANISOU 810 CB SER A 108 5399 4420 3168 431 227 -13 C +ATOM 811 OG SER A 108 12.952 34.093 2.596 1.00 48.90 O +ANISOU 811 OG SER A 108 7322 6360 4898 472 150 -132 O +ATOM 812 N GLU A 109 14.621 33.367 5.898 1.00 26.46 N +ANISOU 812 N GLU A 109 4238 3321 2494 306 254 -133 N +ATOM 813 CA GLU A 109 14.812 32.117 6.642 1.00 26.27 C +ANISOU 813 CA GLU A 109 4171 3270 2539 298 282 -218 C +ATOM 814 C GLU A 109 14.145 32.173 8.014 1.00 28.30 C +ANISOU 814 C GLU A 109 4344 3478 2931 259 203 -250 C +ATOM 815 O GLU A 109 13.660 31.146 8.490 1.00 24.30 O +ANISOU 815 O GLU A 109 3824 2943 2466 259 190 -335 O +ATOM 816 CB GLU A 109 16.307 31.799 6.779 1.00 27.21 C +ANISOU 816 CB GLU A 109 4245 3410 2683 319 423 -152 C +ATOM 817 CG GLU A 109 16.935 31.307 5.472 1.00 34.18 C +ANISOU 817 CG GLU A 109 5221 4344 3421 393 525 -136 C +ATOM 818 CD GLU A 109 18.447 31.247 5.527 1.00 36.50 C +ANISOU 818 CD GLU A 109 5447 4691 3731 425 671 -27 C +ATOM 819 OE1 GLU A 109 19.036 31.716 6.525 1.00 44.30 O +ANISOU 819 OE1 GLU A 109 6304 5686 4841 370 679 35 O +ATOM 820 OE2 GLU A 109 19.047 30.772 4.551 1.00 40.92 O +ANISOU 820 OE2 GLU A 109 6080 5298 4171 510 775 0 O +ATOM 821 N TRP A 110 14.112 33.360 8.626 1.00 25.79 N +ANISOU 821 N TRP A 110 3982 3139 2677 231 159 -180 N +ATOM 822 CA TRP A 110 13.458 33.564 9.930 1.00 23.20 C +ANISOU 822 CA TRP A 110 3588 2772 2456 219 83 -201 C +ATOM 823 C TRP A 110 11.987 33.222 9.742 1.00 23.62 C +ANISOU 823 C TRP A 110 3666 2834 2475 235 -13 -263 C +ATOM 824 O TRP A 110 11.418 32.462 10.502 1.00 24.31 O +ANISOU 824 O TRP A 110 3702 2905 2631 236 -38 -317 O +ATOM 825 CB TRP A 110 13.642 34.992 10.496 1.00 27.25 C +ANISOU 825 CB TRP A 110 4087 3245 3020 192 52 -128 C +ATOM 826 CG TRP A 110 13.252 35.086 11.964 1.00 23.90 C +ANISOU 826 CG TRP A 110 3596 2788 2695 202 -7 -156 C +ATOM 827 CD1 TRP A 110 14.109 35.078 13.032 1.00 24.67 C +ANISOU 827 CD1 TRP A 110 3612 2887 2873 185 18 -158 C +ATOM 828 CD2 TRP A 110 11.922 35.143 12.527 1.00 23.88 C +ANISOU 828 CD2 TRP A 110 3593 2771 2708 247 -96 -180 C +ATOM 829 NE1 TRP A 110 13.401 35.123 14.200 1.00 23.20 N +ANISOU 829 NE1 TRP A 110 3392 2681 2742 228 -47 -187 N +ATOM 830 CE2 TRP A 110 12.066 35.142 13.929 1.00 23.51 C +ANISOU 830 CE2 TRP A 110 3478 2707 2750 268 -110 -193 C +ATOM 831 CE3 TRP A 110 10.630 35.190 11.983 1.00 28.21 C +ANISOU 831 CE3 TRP A 110 4179 3343 3196 281 -165 -184 C +ATOM 832 CZ2 TRP A 110 10.989 35.190 14.797 1.00 24.41 C +ANISOU 832 CZ2 TRP A 110 3570 2811 2894 331 -176 -201 C +ATOM 833 CZ3 TRP A 110 9.549 35.262 12.852 1.00 25.49 C +ANISOU 833 CZ3 TRP A 110 3795 2998 2891 330 -236 -186 C +ATOM 834 CH2 TRP A 110 9.736 35.273 14.246 1.00 23.93 C +ANISOU 834 CH2 TRP A 110 3540 2767 2784 360 -234 -189 C +ATOM 835 N CYS A 111 11.382 33.739 8.675 1.00 23.97 N +ANISOU 835 N CYS A 111 3778 2920 2408 250 -60 -248 N +ATOM 836 CA CYS A 111 9.971 33.471 8.411 1.00 26.05 C +ANISOU 836 CA CYS A 111 4041 3233 2624 259 -166 -302 C +ATOM 837 C CYS A 111 9.711 31.987 8.064 1.00 24.71 C +ANISOU 837 C CYS A 111 3875 3073 2438 222 -164 -424 C +ATOM 838 O CYS A 111 8.711 31.398 8.482 1.00 24.68 O +ANISOU 838 O CYS A 111 3818 3074 2483 191 -231 -484 O +ATOM 839 CB CYS A 111 9.478 34.402 7.285 1.00 26.87 C +ANISOU 839 CB CYS A 111 4212 3410 2586 306 -210 -247 C +ATOM 840 SG CYS A 111 9.495 36.169 7.769 1.00 28.52 S +ANISOU 840 SG CYS A 111 4444 3565 2826 353 -208 -105 S +ATOM 841 N GLU A 112 10.615 31.389 7.309 1.00 25.99 N +ANISOU 841 N GLU A 112 4106 3231 2537 225 -77 -456 N +ATOM 842 CA GLU A 112 10.483 29.990 6.977 1.00 25.96 C +ANISOU 842 CA GLU A 112 4144 3204 2517 194 -56 -580 C +ATOM 843 C GLU A 112 10.510 29.129 8.260 1.00 29.70 C +ANISOU 843 C GLU A 112 4548 3587 3151 170 -9 -606 C +ATOM 844 O GLU A 112 9.693 28.233 8.438 1.00 28.74 O +ANISOU 844 O GLU A 112 4415 3429 3075 117 -43 -695 O +ATOM 845 CB GLU A 112 11.593 29.567 6.041 1.00 30.92 C +ANISOU 845 CB GLU A 112 4873 3834 3042 237 54 -591 C +ATOM 846 CG GLU A 112 11.696 28.076 5.920 1.00 41.68 C +ANISOU 846 CG GLU A 112 6302 5127 4407 219 114 -714 C +ATOM 847 CD GLU A 112 12.340 27.648 4.644 1.00 57.79 C +ANISOU 847 CD GLU A 112 8481 7194 6285 275 183 -758 C +ATOM 848 OE1 GLU A 112 13.245 28.374 4.158 1.00 59.04 O +ANISOU 848 OE1 GLU A 112 8653 7410 6370 347 251 -648 O +ATOM 849 OE2 GLU A 112 11.931 26.578 4.136 1.00 64.28 O +ANISOU 849 OE2 GLU A 112 9399 7971 7052 245 172 -904 O +ATOM 850 N GLY A 113 11.463 29.400 9.147 1.00 25.09 N +ANISOU 850 N GLY A 113 3911 2974 2649 208 73 -525 N +ATOM 851 CA GLY A 113 11.505 28.739 10.435 1.00 26.65 C +ANISOU 851 CA GLY A 113 4033 3111 2981 219 121 -525 C +ATOM 852 C GLY A 113 10.244 28.916 11.261 1.00 29.52 C +ANISOU 852 C GLY A 113 4318 3470 3429 197 23 -525 C +ATOM 853 O GLY A 113 9.719 27.945 11.812 1.00 23.28 O +ANISOU 853 O GLY A 113 3497 2625 2723 181 45 -568 O +ATOM 854 N PHE A 114 9.748 30.152 11.340 1.00 23.88 N +ANISOU 854 N PHE A 114 3574 2806 2692 207 -72 -466 N +ATOM 855 CA PHE A 114 8.574 30.463 12.147 1.00 27.28 C +ANISOU 855 CA PHE A 114 3927 3250 3186 218 -157 -440 C +ATOM 856 C PHE A 114 7.323 29.705 11.635 1.00 23.11 C +ANISOU 856 C PHE A 114 3383 2749 2651 154 -226 -514 C +ATOM 857 O PHE A 114 6.606 29.027 12.414 1.00 28.68 O +ANISOU 857 O PHE A 114 4010 3425 3460 137 -227 -523 O +ATOM 858 CB PHE A 114 8.320 31.968 12.153 1.00 23.21 C +ANISOU 858 CB PHE A 114 3420 2777 2623 259 -229 -361 C +ATOM 859 CG PHE A 114 7.103 32.348 12.860 1.00 25.47 C +ANISOU 859 CG PHE A 114 3639 3091 2946 299 -309 -322 C +ATOM 860 CD1 PHE A 114 7.104 32.471 14.238 1.00 21.00 C +ANISOU 860 CD1 PHE A 114 3013 2490 2475 359 -291 -281 C +ATOM 861 CD2 PHE A 114 5.933 32.586 12.150 1.00 29.71 C +ANISOU 861 CD2 PHE A 114 4166 3713 3409 293 -403 -319 C +ATOM 862 CE1 PHE A 114 5.964 32.812 14.898 1.00 28.59 C +ANISOU 862 CE1 PHE A 114 3915 3487 3462 419 -353 -230 C +ATOM 863 CE2 PHE A 114 4.778 32.919 12.800 1.00 32.48 C +ANISOU 863 CE2 PHE A 114 4439 4113 3789 345 -468 -264 C +ATOM 864 CZ PHE A 114 4.791 33.046 14.171 1.00 27.76 C +ANISOU 864 CZ PHE A 114 3792 3466 3290 412 -438 -215 C +ATOM 865 N THR A 115 7.092 29.789 10.334 1.00 30.36 N +ANISOU 865 N THR A 115 4366 3726 3444 116 -280 -565 N +ATOM 866 CA THR A 115 5.956 29.080 9.744 1.00 29.57 C +ANISOU 866 CA THR A 115 4243 3674 3319 33 -365 -657 C +ATOM 867 C THR A 115 6.085 27.554 9.921 1.00 31.20 C +ANISOU 867 C THR A 115 4469 3768 3616 -46 -288 -762 C +ATOM 868 O THR A 115 5.103 26.905 10.238 1.00 30.97 O +ANISOU 868 O THR A 115 4366 3729 3670 -124 -330 -803 O +ATOM 869 CB THR A 115 5.719 29.464 8.263 1.00 27.46 C +ANISOU 869 CB THR A 115 4046 3518 2869 23 -447 -703 C +ATOM 870 OG1 THR A 115 6.878 29.158 7.502 1.00 28.94 O +ANISOU 870 OG1 THR A 115 4356 3661 2978 38 -357 -745 O +ATOM 871 CG2 THR A 115 5.419 30.918 8.143 1.00 29.57 C +ANISOU 871 CG2 THR A 115 4296 3882 3058 112 -507 -585 C +ATOM 872 N GLN A 116 7.284 26.994 9.770 1.00 28.45 N +ANISOU 872 N GLN A 116 4217 3333 3259 -21 -164 -789 N +ATOM 873 CA GLN A 116 7.473 25.550 9.974 1.00 33.36 C +ANISOU 873 CA GLN A 116 4886 3824 3965 -69 -60 -875 C +ATOM 874 C GLN A 116 7.217 25.179 11.447 1.00 31.85 C +ANISOU 874 C GLN A 116 4588 3563 3950 -45 2 -804 C +ATOM 875 O GLN A 116 6.551 24.198 11.742 1.00 29.62 O +ANISOU 875 O GLN A 116 4286 3198 3772 -121 27 -857 O +ATOM 876 CB GLN A 116 8.878 25.122 9.552 1.00 27.97 C +ANISOU 876 CB GLN A 116 4327 3082 3219 -3 79 -888 C +ATOM 877 CG GLN A 116 9.128 25.212 8.084 1.00 37.20 C +ANISOU 877 CG GLN A 116 5619 4303 4211 -12 45 -965 C +ATOM 878 CD GLN A 116 10.567 24.947 7.670 1.00 56.22 C +ANISOU 878 CD GLN A 116 8135 6682 6544 83 192 -943 C +ATOM 879 OE1 GLN A 116 10.835 24.726 6.481 1.00 63.43 O +ANISOU 879 OE1 GLN A 116 9175 7616 7311 94 198 -1016 O +ATOM 880 NE2 GLN A 116 11.506 24.980 8.630 1.00 63.32 N +ANISOU 880 NE2 GLN A 116 8978 7554 7528 164 310 -836 N +ATOM 881 N GLY A 117 7.741 25.980 12.364 1.00 28.57 N +ANISOU 881 N GLY A 117 4300 2756 3801 -317 -923 -1325 N +ATOM 882 CA GLY A 117 7.469 25.820 13.793 1.00 34.64 C +ANISOU 882 CA GLY A 117 5083 3356 4721 -347 -902 -1248 C +ATOM 883 C GLY A 117 5.990 25.789 14.164 1.00 37.24 C +ANISOU 883 C GLY A 117 5319 3739 5090 -414 -931 -1203 C +ATOM 884 O GLY A 117 5.515 24.887 14.878 1.00 30.60 O +ANISOU 884 O GLY A 117 4478 2782 4366 -515 -924 -1232 O +ATOM 885 N LEU A 118 5.250 26.771 13.664 1.00 33.28 N +ANISOU 885 N LEU A 118 4733 3413 4500 -361 -963 -1131 N +ATOM 886 CA LEU A 118 3.808 26.788 13.856 1.00 35.29 C +ANISOU 886 CA LEU A 118 4843 3754 4810 -409 -998 -1114 C +ATOM 887 C LEU A 118 3.199 25.472 13.407 1.00 30.80 C +ANISOU 887 C LEU A 118 4204 3184 4314 -554 -1072 -1266 C +ATOM 888 O LEU A 118 2.459 24.847 14.157 1.00 35.38 O +ANISOU 888 O LEU A 118 4712 3696 5034 -667 -1038 -1264 O +ATOM 889 CB LEU A 118 3.153 27.925 13.075 1.00 35.29 C +ANISOU 889 CB LEU A 118 4762 3947 4699 -310 -1079 -1057 C +ATOM 890 CG LEU A 118 3.170 29.308 13.716 1.00 32.74 C +ANISOU 890 CG LEU A 118 4463 3624 4352 -176 -1034 -895 C +ATOM 891 CD1 LEU A 118 2.383 30.268 12.837 1.00 37.64 C +ANISOU 891 CD1 LEU A 118 5009 4421 4873 -80 -1158 -859 C +ATOM 892 CD2 LEU A 118 2.585 29.268 15.138 1.00 27.25 C +ANISOU 892 CD2 LEU A 118 3717 2844 3791 -188 -932 -838 C +ATOM 893 N THR A 119 3.506 25.063 12.174 1.00 29.90 N +ANISOU 893 N THR A 119 4122 3141 4099 -556 -1170 -1396 N +ATOM 894 CA THR A 119 2.921 23.877 11.582 1.00 31.75 C +ANISOU 894 CA THR A 119 4304 3372 4386 -681 -1285 -1563 C +ATOM 895 C THR A 119 3.244 22.627 12.424 1.00 38.52 C +ANISOU 895 C THR A 119 5231 4014 5391 -799 -1215 -1594 C +ATOM 896 O THR A 119 2.371 21.857 12.777 1.00 33.08 O +ANISOU 896 O THR A 119 4462 3276 4832 -943 -1231 -1609 O +ATOM 897 CB THR A 119 3.419 23.683 10.136 1.00 32.75 C +ANISOU 897 CB THR A 119 4515 3598 4331 -627 -1386 -1707 C +ATOM 898 OG1 THR A 119 3.060 24.834 9.354 1.00 36.06 O +ANISOU 898 OG1 THR A 119 4906 4214 4581 -522 -1446 -1635 O +ATOM 899 CG2 THR A 119 2.810 22.456 9.485 1.00 34.93 C +ANISOU 899 CG2 THR A 119 4756 3878 4636 -737 -1482 -1838 C +ATOM 900 N ILE A 120 4.505 22.459 12.772 1.00 31.47 N +ANISOU 900 N ILE A 120 4481 3021 4456 -727 -1095 -1545 N +ATOM 901 CA ILE A 120 4.932 21.266 13.513 1.00 31.40 C +ANISOU 901 CA ILE A 120 4560 2852 4519 -794 -998 -1512 C +ATOM 902 C ILE A 120 4.229 21.284 14.886 1.00 31.64 C +ANISOU 902 C ILE A 120 4578 2765 4679 -886 -939 -1403 C +ATOM 903 O ILE A 120 4.001 20.250 15.492 1.00 36.24 O +ANISOU 903 O ILE A 120 5210 3227 5333 -1001 -893 -1386 O +ATOM 904 CB ILE A 120 6.481 21.272 13.687 1.00 38.38 C +ANISOU 904 CB ILE A 120 5552 3681 5351 -670 -895 -1476 C +ATOM 905 CG1 ILE A 120 7.148 20.789 12.396 1.00 44.41 C +ANISOU 905 CG1 ILE A 120 6340 4517 6017 -620 -930 -1614 C +ATOM 906 CG2 ILE A 120 6.932 20.303 14.792 1.00 50.88 C +ANISOU 906 CG2 ILE A 120 7222 5102 7010 -703 -803 -1408 C +ATOM 907 CD1 ILE A 120 6.750 19.356 11.989 1.00 46.76 C +ANISOU 907 CD1 ILE A 120 6663 4765 6339 -715 -983 -1714 C +ATOM 908 N ALA A 121 3.887 22.482 15.365 1.00 29.49 N +ANISOU 908 N ALA A 121 4255 2518 4432 -834 -941 -1337 N +ATOM 909 CA ALA A 121 3.197 22.603 16.643 1.00 32.69 C +ANISOU 909 CA ALA A 121 4650 2819 4950 -910 -864 -1237 C +ATOM 910 C ALA A 121 1.689 22.497 16.515 1.00 37.11 C +ANISOU 910 C ALA A 121 4989 3516 5595 -1037 -860 -1236 C +ATOM 911 O ALA A 121 0.960 22.693 17.474 1.00 38.35 O +ANISOU 911 O ALA A 121 5084 3673 5815 -1088 -730 -1128 O +ATOM 912 CB ALA A 121 3.557 23.836 17.304 1.00 28.01 C +ANISOU 912 CB ALA A 121 4104 2255 4283 -757 -777 -1099 C +ATOM 913 N GLY A 122 1.232 22.192 15.321 1.00 32.70 N +ANISOU 913 N GLY A 122 4307 3079 5040 -1081 -1003 -1367 N +ATOM 914 CA GLY A 122 -0.173 21.852 15.107 1.00 38.73 C +ANISOU 914 CA GLY A 122 4835 3946 5933 -1230 -1047 -1406 C +ATOM 915 C GLY A 122 -1.037 23.086 14.866 1.00 43.68 C +ANISOU 915 C GLY A 122 5250 4815 6531 -1115 -1051 -1346 C +ATOM 916 O GLY A 122 -2.250 23.053 15.049 1.00 37.56 O +ANISOU 916 O GLY A 122 4238 4137 5896 -1210 -1035 -1341 O +ATOM 917 N VAL A 123 -0.407 24.193 14.466 1.00 33.60 N +ANISOU 917 N VAL A 123 4053 3628 5087 -911 -1075 -1300 N +ATOM 918 CA VAL A 123 -1.133 25.430 14.221 1.00 41.20 C +ANISOU 918 CA VAL A 123 4859 4787 6008 -772 -1108 -1240 C +ATOM 919 C VAL A 123 -1.081 25.842 12.755 1.00 38.02 C +ANISOU 919 C VAL A 123 4456 4529 5461 -676 -1312 -1321 C +ATOM 920 O VAL A 123 -0.009 26.074 12.183 1.00 39.19 O +ANISOU 920 O VAL A 123 4797 4652 5441 -591 -1335 -1325 O +ATOM 921 CB VAL A 123 -0.578 26.565 15.074 1.00 40.31 C +ANISOU 921 CB VAL A 123 4859 4643 5815 -607 -975 -1087 C +ATOM 922 CG1 VAL A 123 -1.159 27.922 14.626 1.00 46.17 C +ANISOU 922 CG1 VAL A 123 5488 5565 6489 -427 -1056 -1036 C +ATOM 923 CG2 VAL A 123 -0.874 26.315 16.523 1.00 38.22 C +ANISOU 923 CG2 VAL A 123 4592 4273 5659 -675 -779 -1004 C +ATOM 924 N GLY A 124 -2.256 25.926 12.161 1.00 37.53 N +ANISOU 924 N GLY A 124 4174 4619 5466 -693 -1458 -1386 N +ATOM 925 CA GLY A 124 -2.426 26.493 10.840 1.00 41.70 C +ANISOU 925 CA GLY A 124 4706 5297 5839 -576 -1676 -1443 C +ATOM 926 C GLY A 124 -3.580 27.500 10.800 1.00 42.67 C +ANISOU 926 C GLY A 124 4606 5584 6023 -457 -1769 -1399 C +ATOM 927 O GLY A 124 -4.018 28.024 11.847 1.00 41.35 O +ANISOU 927 O GLY A 124 4314 5421 5976 -416 -1621 -1303 O +ATOM 928 N MET A 125 -4.084 27.748 9.591 1.00 49.06 N +ANISOU 928 N MET A 125 5374 6524 6742 -389 -2026 -1481 N +ATOM 929 CA MET A 125 -5.035 28.827 9.336 1.00 47.50 C +ANISOU 929 CA MET A 125 5011 6475 6563 -223 -2177 -1446 C +ATOM 930 C MET A 125 -6.273 28.751 10.209 1.00 50.59 C +ANISOU 930 C MET A 125 5042 6926 7254 -274 -2115 -1464 C +ATOM 931 O MET A 125 -6.732 29.772 10.714 1.00 47.20 O +ANISOU 931 O MET A 125 4502 6562 6871 -113 -2074 -1381 O +ATOM 932 CB MET A 125 -5.439 28.840 7.861 1.00 49.49 C +ANISOU 932 CB MET A 125 5287 6839 6678 -168 -2505 -1560 C +ATOM 933 CG MET A 125 -4.421 29.518 6.958 1.00 55.64 C +ANISOU 933 CG MET A 125 6411 7616 7112 -34 -2562 -1488 C +ATOM 934 SD MET A 125 -4.241 31.311 7.249 1.00 57.82 S +ANISOU 934 SD MET A 125 6791 7908 7269 212 -2531 -1271 S +ATOM 935 CE MET A 125 -2.783 31.602 6.238 1.00 68.90 C +ANISOU 935 CE MET A 125 8614 9273 8292 245 -2508 -1196 C +ATOM 936 N GLU A 126 -6.784 27.533 10.394 1.00 45.31 N +ANISOU 936 N GLU A 126 4196 6229 6790 -501 -2096 -1574 N +ATOM 937 CA GLU A 126 -8.037 27.285 11.093 1.00 47.59 C +ANISOU 937 CA GLU A 126 4101 6592 7390 -601 -2030 -1608 C +ATOM 938 C GLU A 126 -7.964 27.538 12.587 1.00 46.33 C +ANISOU 938 C GLU A 126 3909 6378 7317 -608 -1683 -1474 C +ATOM 939 O GLU A 126 -8.994 27.734 13.227 1.00 49.87 O +ANISOU 939 O GLU A 126 4041 6927 7979 -615 -1583 -1475 O +ATOM 940 CB GLU A 126 -8.491 25.831 10.863 1.00 58.36 C +ANISOU 940 CB GLU A 126 5323 7903 8949 -885 -2100 -1749 C +ATOM 941 CG GLU A 126 -8.533 25.433 9.402 1.00 70.02 C +ANISOU 941 CG GLU A 126 6868 9411 10324 -889 -2455 -1910 C +ATOM 942 CD GLU A 126 -8.795 23.937 9.186 1.00 79.19 C +ANISOU 942 CD GLU A 126 8000 10466 11623 -1158 -2488 -2012 C +ATOM 943 OE1 GLU A 126 -8.469 23.113 10.083 1.00 82.65 O +ANISOU 943 OE1 GLU A 126 8465 10752 12187 -1357 -2274 -1985 O +ATOM 944 OE2 GLU A 126 -9.318 23.590 8.104 1.00 77.41 O +ANISOU 944 OE2 GLU A 126 7776 10291 11346 -1156 -2711 -2089 O +ATOM 945 N GLN A 127 -6.760 27.499 13.143 1.00 43.41 N +ANISOU 945 N GLN A 127 3859 5851 6785 -604 -1502 -1372 N +ATOM 946 CA GLN A 127 -6.581 27.723 14.575 1.00 46.06 C +ANISOU 946 CA GLN A 127 4232 6111 7158 -598 -1194 -1246 C +ATOM 947 C GLN A 127 -6.710 29.189 14.976 1.00 45.41 C +ANISOU 947 C GLN A 127 4142 6110 7002 -328 -1151 -1155 C +ATOM 948 O GLN A 127 -6.769 29.462 16.155 1.00 45.15 O +ANISOU 948 O GLN A 127 4109 6043 7003 -295 -911 -1074 O +ATOM 949 CB GLN A 127 -5.226 27.207 15.077 1.00 41.50 C +ANISOU 949 CB GLN A 127 4006 5320 6444 -667 -1054 -1177 C +ATOM 950 CG GLN A 127 -5.126 25.678 15.246 1.00 40.26 C +ANISOU 950 CG GLN A 127 3875 5022 6399 -943 -1005 -1238 C +ATOM 951 CD GLN A 127 -5.344 24.961 13.959 1.00 41.69 C +ANISOU 951 CD GLN A 127 3993 5239 6609 -1042 -1263 -1395 C +ATOM 952 OE1 GLN A 127 -4.500 24.992 13.069 1.00 49.43 O +ANISOU 952 OE1 GLN A 127 5181 6192 7408 -963 -1409 -1444 O +ATOM 953 NE2 GLN A 127 -6.485 24.327 13.831 1.00 51.71 N +ANISOU 953 NE2 GLN A 127 4970 6574 8103 -1213 -1323 -1481 N +ATOM 954 N PHE A 128 -6.761 30.121 14.024 1.00 44.27 N +ANISOU 954 N PHE A 128 4016 6058 6746 -130 -1388 -1169 N +ATOM 955 CA PHE A 128 -6.797 31.557 14.384 1.00 44.53 C +ANISOU 955 CA PHE A 128 4089 6127 6703 139 -1376 -1079 C +ATOM 956 C PHE A 128 -8.204 32.124 14.382 1.00 44.39 C +ANISOU 956 C PHE A 128 3706 6291 6871 267 -1457 -1146 C +ATOM 957 O PHE A 128 -8.977 31.874 13.473 1.00 49.94 O +ANISOU 957 O PHE A 128 4193 7111 7671 241 -1688 -1257 O +ATOM 958 CB PHE A 128 -5.906 32.398 13.454 1.00 42.66 C +ANISOU 958 CB PHE A 128 4142 5848 6219 295 -1570 -1018 C +ATOM 959 CG PHE A 128 -4.453 32.116 13.617 1.00 37.09 C +ANISOU 959 CG PHE A 128 3770 4972 5351 220 -1456 -943 C +ATOM 960 CD1 PHE A 128 -3.779 32.562 14.720 1.00 36.49 C +ANISOU 960 CD1 PHE A 128 3854 4769 5241 279 -1261 -837 C +ATOM 961 CD2 PHE A 128 -3.763 31.367 12.671 1.00 40.74 C +ANISOU 961 CD2 PHE A 128 4376 5401 5701 99 -1552 -997 C +ATOM 962 CE1 PHE A 128 -2.437 32.271 14.886 1.00 40.42 C +ANISOU 962 CE1 PHE A 128 4624 5108 5626 211 -1178 -782 C +ATOM 963 CE2 PHE A 128 -2.437 31.077 12.832 1.00 36.69 C +ANISOU 963 CE2 PHE A 128 4124 4743 5073 40 -1440 -948 C +ATOM 964 CZ PHE A 128 -1.767 31.517 13.930 1.00 38.31 C +ANISOU 964 CZ PHE A 128 4462 4821 5274 92 -1262 -840 C +ATOM 965 N TYR A 129 -8.527 32.894 15.414 1.00 44.64 N +ANISOU 965 N TYR A 129 3668 6341 6952 422 -1277 -1093 N +ATOM 966 CA TYR A 129 -9.840 33.504 15.526 1.00 47.70 C +ANISOU 966 CA TYR A 129 3688 6906 7530 581 -1324 -1169 C +ATOM 967 C TYR A 129 -9.963 34.753 14.636 1.00 48.28 C +ANISOU 967 C TYR A 129 3820 7021 7503 870 -1643 -1168 C +ATOM 968 O TYR A 129 -11.018 34.992 14.027 1.00 51.21 O +ANISOU 968 O TYR A 129 3891 7542 8024 970 -1862 -1274 O +ATOM 969 CB TYR A 129 -10.143 33.847 16.995 1.00 48.12 C +ANISOU 969 CB TYR A 129 3662 6968 7655 657 -987 -1128 C +ATOM 970 CG TYR A 129 -11.482 34.520 17.206 1.00 51.58 C +ANISOU 970 CG TYR A 129 3695 7600 8302 852 -993 -1223 C +ATOM 971 CD1 TYR A 129 -11.670 35.864 16.868 1.00 52.16 C +ANISOU 971 CD1 TYR A 129 3796 7702 8319 1189 -1207 -1230 C +ATOM 972 CD2 TYR A 129 -12.564 33.824 17.738 1.00 54.59 C +ANISOU 972 CD2 TYR A 129 3660 8131 8952 702 -787 -1307 C +ATOM 973 CE1 TYR A 129 -12.896 36.494 17.047 1.00 55.60 C +ANISOU 973 CE1 TYR A 129 3848 8313 8964 1402 -1233 -1339 C +ATOM 974 CE2 TYR A 129 -13.812 34.456 17.925 1.00 58.18 C +ANISOU 974 CE2 TYR A 129 3693 8785 9629 897 -781 -1414 C +ATOM 975 CZ TYR A 129 -13.966 35.790 17.579 1.00 58.63 C +ANISOU 975 CZ TYR A 129 3781 8869 9628 1263 -1012 -1439 C +ATOM 976 OH TYR A 129 -15.186 36.432 17.754 1.00 62.41 O +ANISOU 976 OH TYR A 129 3835 9539 10339 1490 -1027 -1565 O +ATOM 977 N GLU A 130 -8.890 35.550 14.570 1.00 48.43 N +ANISOU 977 N GLU A 130 4226 6897 7280 1000 -1681 -1046 N +ATOM 978 CA GLU A 130 -8.954 36.852 13.890 1.00 47.47 C +ANISOU 978 CA GLU A 130 4213 6774 7048 1279 -1955 -1010 C +ATOM 979 C GLU A 130 -8.573 36.643 12.407 1.00 55.17 C +ANISOU 979 C GLU A 130 5355 7747 7860 1217 -2251 -1010 C +ATOM 980 O GLU A 130 -7.755 35.778 12.075 1.00 55.19 O +ANISOU 980 O GLU A 130 5531 7686 7754 1003 -2192 -995 O +ATOM 981 CB GLU A 130 -8.026 37.906 14.582 1.00 48.77 C +ANISOU 981 CB GLU A 130 4714 6768 7047 1443 -1855 -869 C +ATOM 982 CG GLU A 130 -8.283 38.186 16.130 1.00 55.99 C +ANISOU 982 CG GLU A 130 5547 7664 8064 1535 -1555 -871 C +ATOM 983 CD GLU A 130 -6.986 38.508 16.988 1.00 71.18 C +ANISOU 983 CD GLU A 130 7856 9371 9817 1532 -1381 -743 C +ATOM 984 OE1 GLU A 130 -5.978 39.008 16.419 1.00 69.14 O +ANISOU 984 OE1 GLU A 130 7909 8975 9386 1550 -1524 -640 O +ATOM 985 OE2 GLU A 130 -6.969 38.270 18.240 1.00 60.29 O +ANISOU 985 OE2 GLU A 130 6474 7959 8476 1508 -1103 -744 O +ATOM 986 N GLU A 131 -9.193 37.420 11.526 1.00 53.06 N +ANISOU 986 N GLU A 131 5042 7550 7571 1417 -2573 -1037 N +ATOM 987 CA GLU A 131 -8.861 37.429 10.107 1.00 49.13 C +ANISOU 987 CA GLU A 131 4758 7046 6861 1406 -2870 -1021 C +ATOM 988 C GLU A 131 -7.542 38.139 9.804 1.00 48.95 C +ANISOU 988 C GLU A 131 5198 6861 6539 1444 -2859 -843 C +ATOM 989 O GLU A 131 -6.835 37.770 8.865 1.00 52.40 O +ANISOU 989 O GLU A 131 5872 7274 6765 1330 -2936 -811 O +ATOM 990 CB GLU A 131 -9.971 38.145 9.341 1.00 71.72 C +ANISOU 990 CB GLU A 131 7466 10006 9780 1626 -3214 -1085 C +ATOM 991 CG GLU A 131 -11.350 37.549 9.524 1.00 77.23 C +ANISOU 991 CG GLU A 131 7681 10865 10797 1586 -3233 -1259 C +ATOM 992 CD GLU A 131 -11.753 36.665 8.359 1.00 82.79 C +ANISOU 992 CD GLU A 131 8346 11630 11480 1416 -3426 -1351 C +ATOM 993 OE1 GLU A 131 -10.895 35.883 7.875 1.00 87.38 O +ANISOU 993 OE1 GLU A 131 9145 12165 11891 1231 -3419 -1345 O +ATOM 994 OE2 GLU A 131 -12.923 36.766 7.921 1.00 81.11 O +ANISOU 994 OE2 GLU A 131 7897 11504 11417 1478 -3587 -1436 O +ATOM 995 N GLU A 132 -7.237 39.178 10.583 1.00 51.10 N +ANISOU 995 N GLU A 132 5592 7023 6799 1609 -2765 -733 N +ATOM 996 CA GLU A 132 -5.940 39.854 10.538 1.00 47.71 C +ANISOU 996 CA GLU A 132 5567 6418 6145 1613 -2708 -557 C +ATOM 997 C GLU A 132 -4.824 38.807 10.690 1.00 41.20 C +ANISOU 997 C GLU A 132 4868 5538 5248 1344 -2464 -540 C +ATOM 998 O GLU A 132 -3.762 38.917 10.064 1.00 46.57 O +ANISOU 998 O GLU A 132 5840 6136 5720 1268 -2467 -439 O +ATOM 999 CB GLU A 132 -5.876 40.923 11.648 1.00 53.33 C +ANISOU 999 CB GLU A 132 6331 7009 6925 1804 -2611 -484 C +ATOM 1000 CG GLU A 132 -4.457 41.302 12.211 1.00 60.28 C +ANISOU 1000 CG GLU A 132 7541 7683 7679 1736 -2430 -333 C +ATOM 1001 CD GLU A 132 -4.529 42.084 13.560 1.00 60.47 C +ANISOU 1001 CD GLU A 132 7568 7597 7811 1907 -2306 -316 C +ATOM 1002 OE1 GLU A 132 -4.373 41.486 14.663 1.00 63.19 O +ANISOU 1002 OE1 GLU A 132 7831 7929 8250 1820 -2046 -363 O +ATOM 1003 OE2 GLU A 132 -4.740 43.307 13.527 1.00 51.04 O +ANISOU 1003 OE2 GLU A 132 6489 6317 6589 2102 -2439 -257 O +ATOM 1004 N SER A 133 -5.052 37.800 11.533 1.00 40.29 N +ANISOU 1004 N SER A 133 4537 5461 5310 1201 -2248 -637 N +ATOM 1005 CA SER A 133 -4.033 36.751 11.777 1.00 37.97 C +ANISOU 1005 CA SER A 133 4358 5094 4976 965 -2034 -636 C +ATOM 1006 C SER A 133 -3.830 35.844 10.559 1.00 38.50 C +ANISOU 1006 C SER A 133 4468 5229 4931 811 -2150 -710 C +ATOM 1007 O SER A 133 -2.714 35.437 10.227 1.00 36.96 O +ANISOU 1007 O SER A 133 4489 4961 4595 693 -2066 -675 O +ATOM 1008 CB SER A 133 -4.429 35.863 12.946 1.00 37.57 C +ANISOU 1008 CB SER A 133 4090 5052 5131 848 -1799 -714 C +ATOM 1009 OG SER A 133 -4.533 36.605 14.147 1.00 37.14 O +ANISOU 1009 OG SER A 133 4032 4934 5147 986 -1656 -658 O +ATOM 1010 N GLN A 134 -4.923 35.501 9.910 1.00 40.94 N +ANISOU 1010 N GLN A 134 4560 5680 5317 821 -2346 -831 N +ATOM 1011 CA GLN A 134 -4.827 34.613 8.776 1.00 45.83 C +ANISOU 1011 CA GLN A 134 5225 6359 5828 690 -2482 -928 C +ATOM 1012 C GLN A 134 -4.127 35.354 7.648 1.00 43.96 C +ANISOU 1012 C GLN A 134 5316 6104 5283 779 -2635 -828 C +ATOM 1013 O GLN A 134 -3.292 34.780 6.967 1.00 41.54 O +ANISOU 1013 O GLN A 134 5204 5782 4797 663 -2598 -842 O +ATOM 1014 CB GLN A 134 -6.227 34.135 8.363 1.00 51.93 C +ANISOU 1014 CB GLN A 134 5675 7279 6778 685 -2699 -1090 C +ATOM 1015 CG GLN A 134 -6.875 33.330 9.487 1.00 53.49 C +ANISOU 1015 CG GLN A 134 5546 7495 7283 551 -2498 -1173 C +ATOM 1016 CD GLN A 134 -8.346 33.037 9.253 1.00 62.44 C +ANISOU 1016 CD GLN A 134 6288 8778 8660 553 -2689 -1322 C +ATOM 1017 OE1 GLN A 134 -8.982 33.591 8.340 1.00 65.99 O +ANISOU 1017 OE1 GLN A 134 6690 9317 9066 706 -3005 -1368 O +ATOM 1018 NE2 GLN A 134 -8.902 32.153 10.084 1.00 65.73 N +ANISOU 1018 NE2 GLN A 134 6418 9215 9342 377 -2503 -1396 N +ATOM 1019 N ASP A 135 -4.475 36.630 7.468 1.00 46.69 N +ANISOU 1019 N ASP A 135 5730 6445 5566 988 -2798 -726 N +ATOM 1020 CA ASP A 135 -3.822 37.477 6.471 1.00 49.37 C +ANISOU 1020 CA ASP A 135 6413 6742 5603 1069 -2930 -588 C +ATOM 1021 C ASP A 135 -2.346 37.506 6.753 1.00 42.60 C +ANISOU 1021 C ASP A 135 5801 5761 4625 955 -2665 -466 C +ATOM 1022 O ASP A 135 -1.528 37.474 5.839 1.00 41.44 O +ANISOU 1022 O ASP A 135 5906 5611 4228 891 -2659 -410 O +ATOM 1023 CB ASP A 135 -4.316 38.930 6.542 1.00 58.80 C +ANISOU 1023 CB ASP A 135 7663 7886 6791 1307 -3099 -467 C +ATOM 1024 CG ASP A 135 -5.611 39.147 5.820 1.00 65.45 C +ANISOU 1024 CG ASP A 135 8356 8823 7689 1408 -3319 -541 C +ATOM 1025 OD1 ASP A 135 -6.067 38.228 5.104 1.00 65.94 O +ANISOU 1025 OD1 ASP A 135 8315 8994 7743 1315 -3425 -677 O +ATOM 1026 OD2 ASP A 135 -6.177 40.258 5.970 1.00 74.54 O +ANISOU 1026 OD2 ASP A 135 9501 9922 8899 1584 -3392 -471 O +ATOM 1027 N ALA A 136 -2.002 37.618 8.029 1.00 43.28 N +ANISOU 1027 N ALA A 136 5814 5745 4886 939 -2447 -426 N +ATOM 1028 CA ALA A 136 -0.606 37.742 8.404 1.00 43.41 C +ANISOU 1028 CA ALA A 136 6034 5626 4832 848 -2226 -314 C +ATOM 1029 C ALA A 136 0.162 36.436 8.198 1.00 36.35 C +ANISOU 1029 C ALA A 136 5150 4752 3911 647 -2063 -414 C +ATOM 1030 O ALA A 136 1.298 36.450 7.736 1.00 38.92 O +ANISOU 1030 O ALA A 136 5675 5033 4081 573 -1961 -349 O +ATOM 1031 CB ALA A 136 -0.479 38.217 9.853 1.00 38.34 C +ANISOU 1031 CB ALA A 136 5334 4857 4376 906 -2077 -260 C +ATOM 1032 N LEU A 137 -0.445 35.306 8.541 1.00 36.52 N +ANISOU 1032 N LEU A 137 4951 4831 4094 559 -2035 -574 N +ATOM 1033 CA LEU A 137 0.221 34.038 8.351 1.00 35.75 C +ANISOU 1033 CA LEU A 137 4872 4727 3983 387 -1913 -685 C +ATOM 1034 C LEU A 137 0.547 33.892 6.867 1.00 40.95 C +ANISOU 1034 C LEU A 137 5706 5475 4376 371 -2028 -717 C +ATOM 1035 O LEU A 137 1.659 33.515 6.498 1.00 42.58 O +ANISOU 1035 O LEU A 137 6068 5653 4458 290 -1893 -721 O +ATOM 1036 CB LEU A 137 -0.674 32.889 8.822 1.00 37.27 C +ANISOU 1036 CB LEU A 137 4811 4959 4391 288 -1915 -846 C +ATOM 1037 CG LEU A 137 -0.061 31.486 8.731 1.00 41.37 C +ANISOU 1037 CG LEU A 137 5353 5435 4931 113 -1813 -975 C +ATOM 1038 CD1 LEU A 137 1.275 31.430 9.470 1.00 36.09 C +ANISOU 1038 CD1 LEU A 137 4826 4617 4271 72 -1589 -903 C +ATOM 1039 CD2 LEU A 137 -1.007 30.468 9.298 1.00 51.14 C +ANISOU 1039 CD2 LEU A 137 6349 6679 6402 -1 -1817 -1101 C +ATOM 1040 N GLN A 138 -0.425 34.213 6.018 1.00 38.88 N +ANISOU 1040 N GLN A 138 5424 5325 4022 461 -2281 -747 N +ATOM 1041 CA GLN A 138 -0.240 34.144 4.563 1.00 40.91 C +ANISOU 1041 CA GLN A 138 5890 5674 3981 469 -2422 -776 C +ATOM 1042 C GLN A 138 0.941 35.018 4.109 1.00 41.20 C +ANISOU 1042 C GLN A 138 6225 5662 3767 488 -2299 -591 C +ATOM 1043 O GLN A 138 1.737 34.603 3.282 1.00 41.23 O +ANISOU 1043 O GLN A 138 6406 5707 3551 420 -2215 -621 O +ATOM 1044 CB GLN A 138 -1.541 34.530 3.822 1.00 43.78 C +ANISOU 1044 CB GLN A 138 6196 6144 4294 596 -2763 -819 C +ATOM 1045 CG GLN A 138 -1.563 34.194 2.331 1.00 66.49 C +ANISOU 1045 CG GLN A 138 9279 9123 6863 600 -2955 -900 C +ATOM 1046 CD GLN A 138 -1.249 32.723 2.052 1.00 71.92 C +ANISOU 1046 CD GLN A 138 9935 9839 7553 446 -2879 -1107 C +ATOM 1047 OE1 GLN A 138 -1.969 31.811 2.490 1.00 69.53 O +ANISOU 1047 OE1 GLN A 138 9372 9541 7503 367 -2938 -1270 O +ATOM 1048 NE2 GLN A 138 -0.155 32.487 1.330 1.00 77.35 N +ANISOU 1048 NE2 GLN A 138 10887 10537 7964 399 -2738 -1102 N +ATOM 1049 N HIS A 139 1.091 36.206 4.677 1.00 40.39 N +ANISOU 1049 N HIS A 139 6174 5466 3707 574 -2273 -407 N +ATOM 1050 CA HIS A 139 2.200 37.085 4.279 1.00 43.11 C +ANISOU 1050 CA HIS A 139 6789 5743 3846 563 -2157 -213 C +ATOM 1051 C HIS A 139 3.550 36.524 4.744 1.00 45.15 C +ANISOU 1051 C HIS A 139 7053 5934 4166 419 -1853 -224 C +ATOM 1052 O HIS A 139 4.562 36.655 4.047 1.00 38.88 O +ANISOU 1052 O HIS A 139 6445 5154 3173 351 -1717 -153 O +ATOM 1053 CB HIS A 139 2.022 38.503 4.832 1.00 45.77 C +ANISOU 1053 CB HIS A 139 7185 5960 4245 686 -2231 -20 C +ATOM 1054 CG HIS A 139 0.928 39.279 4.170 1.00 50.27 C +ANISOU 1054 CG HIS A 139 7821 6576 4703 853 -2545 25 C +ATOM 1055 ND1 HIS A 139 0.108 40.143 4.863 1.00 53.27 N +ANISOU 1055 ND1 HIS A 139 8101 6887 5253 1018 -2695 74 N +ATOM 1056 CD2 HIS A 139 0.512 39.319 2.882 1.00 55.45 C +ANISOU 1056 CD2 HIS A 139 8629 7332 5106 892 -2733 19 C +ATOM 1057 CE1 HIS A 139 -0.758 40.688 4.031 1.00 54.46 C +ANISOU 1057 CE1 HIS A 139 8277 7083 5331 1117 -2877 92 C +ATOM 1058 NE2 HIS A 139 -0.536 40.203 2.824 1.00 58.94 N +ANISOU 1058 NE2 HIS A 139 8999 7749 5646 1040 -2909 67 N +ATOM 1059 N LEU A 140 3.569 35.928 5.929 1.00 35.67 N +ANISOU 1059 N LEU A 140 5652 4660 3242 377 -1745 -308 N +ATOM 1060 CA LEU A 140 4.792 35.285 6.418 1.00 35.16 C +ANISOU 1060 CA LEU A 140 5576 4520 3265 260 -1502 -346 C +ATOM 1061 C LEU A 140 5.190 34.120 5.512 1.00 34.88 C +ANISOU 1061 C LEU A 140 5573 4588 3093 175 -1443 -513 C +ATOM 1062 O LEU A 140 6.379 33.912 5.265 1.00 34.73 O +ANISOU 1062 O LEU A 140 5631 4554 3009 107 -1255 -511 O +ATOM 1063 CB LEU A 140 4.661 34.831 7.880 1.00 33.22 C +ANISOU 1063 CB LEU A 140 5147 4159 3315 243 -1429 -404 C +ATOM 1064 CG LEU A 140 4.324 35.922 8.905 1.00 38.40 C +ANISOU 1064 CG LEU A 140 5782 4705 4104 345 -1464 -268 C +ATOM 1065 CD1 LEU A 140 4.609 35.517 10.307 1.00 34.53 C +ANISOU 1065 CD1 LEU A 140 5197 4084 3840 316 -1340 -302 C +ATOM 1066 CD2 LEU A 140 5.017 37.237 8.613 1.00 40.82 C +ANISOU 1066 CD2 LEU A 140 6278 4937 4294 385 -1464 -71 C +ATOM 1067 N AMET A 141 4.196 33.400 4.995 0.50 36.54 N +ANISOU 1067 N AMET A 141 5716 4900 3266 186 -1611 -665 N +ATOM 1068 N BMET A 141 4.212 33.373 5.007 0.50 36.51 N +ANISOU 1068 N BMET A 141 5711 4896 3266 184 -1607 -668 N +ATOM 1069 CA AMET A 141 4.433 32.280 4.079 0.50 38.48 C +ANISOU 1069 CA AMET A 141 6015 5237 3368 126 -1603 -851 C +ATOM 1070 CA BMET A 141 4.510 32.280 4.079 0.50 38.28 C +ANISOU 1070 CA BMET A 141 5996 5210 3341 123 -1589 -848 C +ATOM 1071 C AMET A 141 5.038 32.763 2.767 0.50 39.75 C +ANISOU 1071 C AMET A 141 6430 5500 3173 148 -1569 -783 C +ATOM 1072 C BMET A 141 5.171 32.842 2.834 0.50 39.62 C +ANISOU 1072 C BMET A 141 6418 5473 3164 144 -1542 -764 C +ATOM 1073 O AMET A 141 5.841 32.070 2.155 0.50 41.39 O +ANISOU 1073 O AMET A 141 6723 5759 3244 99 -1431 -892 O +ATOM 1074 O BMET A 141 6.139 32.288 2.330 0.50 39.94 O +ANISOU 1074 O BMET A 141 6543 5550 3083 91 -1367 -842 O +ATOM 1075 CB AMET A 141 3.132 31.494 3.830 0.50 38.78 C +ANISOU 1075 CB AMET A 141 5924 5343 3466 129 -1837 -1025 C +ATOM 1076 CB BMET A 141 3.246 31.491 3.705 0.50 38.91 C +ANISOU 1076 CB BMET A 141 5968 5368 3449 128 -1826 -1026 C +ATOM 1077 CG AMET A 141 2.632 30.745 5.089 0.50 37.11 C +ANISOU 1077 CG AMET A 141 5464 5035 3601 61 -1811 -1109 C +ATOM 1078 CG BMET A 141 2.641 30.688 4.870 0.50 37.46 C +ANISOU 1078 CG BMET A 141 5532 5097 3604 61 -1827 -1126 C +ATOM 1079 SD AMET A 141 0.992 29.977 4.977 0.50 44.28 S +ANISOU 1079 SD AMET A 141 6152 6011 4662 31 -2074 -1281 S +ATOM 1080 SD BMET A 141 3.604 29.239 5.394 0.50 41.64 S +ANISOU 1080 SD BMET A 141 6030 5512 4278 -66 -1632 -1289 S +ATOM 1081 CE AMET A 141 1.067 28.836 6.369 0.50 55.27 C +ANISOU 1081 CE AMET A 141 7356 7252 6391 -114 -1908 -1363 C +ATOM 1082 CE BMET A 141 3.326 28.121 4.026 0.50 51.35 C +ANISOU 1082 CE BMET A 141 7343 6847 5321 -95 -1790 -1533 C +ATOM 1083 N GLU A 142 4.655 33.967 2.356 1.00 46.22 N +ANISOU 1083 N GLU A 142 7383 6343 3837 227 -1690 -601 N +ATOM 1084 CA GLU A 142 5.202 34.603 1.158 1.00 43.18 C +ANISOU 1084 CA GLU A 142 7282 6037 3088 239 -1650 -482 C +ATOM 1085 C GLU A 142 6.610 35.126 1.430 1.00 43.92 C +ANISOU 1085 C GLU A 142 7440 6060 3189 158 -1348 -329 C +ATOM 1086 O GLU A 142 7.495 34.988 0.599 1.00 43.86 O +ANISOU 1086 O GLU A 142 7582 6132 2950 103 -1164 -327 O +ATOM 1087 CB GLU A 142 4.281 35.754 0.707 1.00 44.95 C +ANISOU 1087 CB GLU A 142 7644 6272 3164 355 -1914 -320 C +ATOM 1088 CG GLU A 142 2.934 35.250 0.156 1.00 53.13 C +ANISOU 1088 CG GLU A 142 8631 7405 4152 441 -2242 -486 C +ATOM 1089 CD GLU A 142 1.798 36.269 0.241 1.00 57.97 C +ANISOU 1089 CD GLU A 142 9231 7990 4806 586 -2541 -374 C +ATOM 1090 OE1 GLU A 142 2.031 37.442 0.632 1.00 53.02 O +ANISOU 1090 OE1 GLU A 142 8686 7260 4201 633 -2511 -156 O +ATOM 1091 OE2 GLU A 142 0.652 35.874 -0.078 1.00 62.83 O +ANISOU 1091 OE2 GLU A 142 9701 8672 5499 640 -2768 -507 O +ATOM 1092 N PHE A 143 6.812 35.741 2.593 1.00 40.03 N +ANISOU 1092 N PHE A 143 6826 5418 2964 151 -1298 -209 N +ATOM 1093 CA PHE A 143 8.136 36.217 2.977 1.00 39.22 C +ANISOU 1093 CA PHE A 143 6742 5224 2935 64 -1044 -79 C +ATOM 1094 C PHE A 143 9.146 35.070 2.993 1.00 38.71 C +ANISOU 1094 C PHE A 143 6576 5195 2936 -20 -812 -258 C +ATOM 1095 O PHE A 143 10.307 35.251 2.621 1.00 39.62 O +ANISOU 1095 O PHE A 143 6747 5330 2975 -96 -580 -198 O +ATOM 1096 CB PHE A 143 8.098 36.845 4.361 1.00 36.85 C +ANISOU 1096 CB PHE A 143 6314 4744 2944 86 -1071 19 C +ATOM 1097 CG PHE A 143 7.235 38.075 4.451 1.00 37.46 C +ANISOU 1097 CG PHE A 143 6486 4758 2987 190 -1285 193 C +ATOM 1098 CD1 PHE A 143 6.872 38.784 3.304 1.00 40.12 C +ANISOU 1098 CD1 PHE A 143 7055 5167 3023 233 -1409 317 C +ATOM 1099 CD2 PHE A 143 6.794 38.529 5.693 1.00 35.63 C +ANISOU 1099 CD2 PHE A 143 6134 4388 3016 262 -1368 226 C +ATOM 1100 CE1 PHE A 143 6.073 39.926 3.394 1.00 41.71 C +ANISOU 1100 CE1 PHE A 143 7352 5287 3207 353 -1637 469 C +ATOM 1101 CE2 PHE A 143 5.995 39.684 5.778 1.00 36.46 C +ANISOU 1101 CE2 PHE A 143 6325 4428 3101 388 -1573 366 C +ATOM 1102 CZ PHE A 143 5.634 40.364 4.638 1.00 39.06 C +ANISOU 1102 CZ PHE A 143 6869 4816 3157 436 -1717 483 C +ATOM 1103 N ALA A 144 8.683 33.894 3.422 1.00 37.91 N +ANISOU 1103 N ALA A 144 6319 5096 2989 -5 -879 -478 N +ATOM 1104 CA ALA A 144 9.518 32.688 3.477 1.00 38.91 C +ANISOU 1104 CA ALA A 144 6355 5231 3199 -56 -710 -679 C +ATOM 1105 C ALA A 144 9.970 32.241 2.084 1.00 43.22 C +ANISOU 1105 C ALA A 144 7051 5946 3423 -63 -604 -780 C +ATOM 1106 O ALA A 144 10.993 31.564 1.946 1.00 47.62 O +ANISOU 1106 O ALA A 144 7564 6526 4004 -95 -397 -906 O +ATOM 1107 CB ALA A 144 8.750 31.528 4.161 1.00 39.66 C +ANISOU 1107 CB ALA A 144 6294 5271 3505 -46 -846 -880 C +ATOM 1108 N GLU A 145 9.197 32.601 1.058 1.00 49.21 N +ANISOU 1108 N GLU A 145 7995 6824 3878 -17 -754 -740 N +ATOM 1109 CA GLU A 145 9.474 32.185 -0.320 1.00 55.00 C +ANISOU 1109 CA GLU A 145 8924 7727 4246 -4 -682 -843 C +ATOM 1110 C GLU A 145 10.149 33.309 -1.094 1.00 54.96 C +ANISOU 1110 C GLU A 145 9135 7790 3955 -39 -509 -608 C +ATOM 1111 O GLU A 145 10.285 33.247 -2.300 1.00 61.75 O +ANISOU 1111 O GLU A 145 10221 8799 4442 -24 -450 -632 O +ATOM 1112 CB GLU A 145 8.170 31.779 -1.040 1.00 59.69 C +ANISOU 1112 CB GLU A 145 9622 8405 4655 72 -994 -967 C +ATOM 1113 CG GLU A 145 7.589 30.447 -0.575 1.00 62.46 C +ANISOU 1113 CG GLU A 145 9789 8709 5234 74 -1136 -1236 C +ATOM 1114 CD GLU A 145 6.073 30.331 -0.793 1.00 87.23 C +ANISOU 1114 CD GLU A 145 12913 11869 8359 125 -1498 -1300 C +ATOM 1115 OE1 GLU A 145 5.581 30.764 -1.865 1.00 87.61 O +ANISOU 1115 OE1 GLU A 145 13177 12029 8084 190 -1660 -1266 O +ATOM 1116 OE2 GLU A 145 5.377 29.800 0.114 1.00 82.19 O +ANISOU 1116 OE2 GLU A 145 12050 11138 8043 98 -1623 -1385 O +ATOM 1117 N LEU A 146 10.578 34.332 -0.377 1.00 55.07 N +ANISOU 1117 N LEU A 146 9095 7685 4143 -93 -428 -378 N +ATOM 1118 CA LEU A 146 11.150 35.535 -0.970 1.00 63.05 C +ANISOU 1118 CA LEU A 146 10308 8713 4933 -155 -287 -109 C +ATOM 1119 C LEU A 146 12.512 35.312 -1.638 1.00 63.95 C +ANISOU 1119 C LEU A 146 10458 8942 4899 -249 92 -127 C +ATOM 1120 O LEU A 146 13.376 34.612 -1.109 1.00 65.51 O +ANISOU 1120 O LEU A 146 10430 9121 5339 -284 286 -275 O +ATOM 1121 CB LEU A 146 11.286 36.574 0.139 1.00 69.53 C +ANISOU 1121 CB LEU A 146 11028 9340 6052 -193 -318 105 C +ATOM 1122 CG LEU A 146 11.869 37.946 -0.141 1.00 73.47 C +ANISOU 1122 CG LEU A 146 11699 9776 6439 -282 -207 414 C +ATOM 1123 CD1 LEU A 146 10.927 38.774 -1.005 1.00 75.62 C +ANISOU 1123 CD1 LEU A 146 12279 10075 6375 -213 -436 582 C +ATOM 1124 CD2 LEU A 146 12.115 38.600 1.207 1.00 76.76 C +ANISOU 1124 CD2 LEU A 146 11943 9975 7245 -311 -244 524 C +ATOM 1125 N ASP A 147 12.691 35.944 -2.794 1.00 70.69 N +ANISOU 1125 N ASP A 147 11597 9909 5352 -283 196 30 N +ATOM 1126 CA ASP A 147 13.937 35.877 -3.560 1.00 74.95 C +ANISOU 1126 CA ASP A 147 12195 10586 5695 -381 596 45 C +ATOM 1127 C ASP A 147 14.804 37.089 -3.213 1.00 75.38 C +ANISOU 1127 C ASP A 147 12225 10533 5881 -538 798 348 C +ATOM 1128 O ASP A 147 14.489 38.221 -3.595 1.00 75.03 O +ANISOU 1128 O ASP A 147 12432 10436 5639 -581 716 628 O +ATOM 1129 CB ASP A 147 13.636 35.855 -5.071 1.00 78.14 C +ANISOU 1129 CB ASP A 147 12969 11182 5538 -340 617 52 C +ATOM 1130 CG ASP A 147 14.898 35.842 -5.920 1.00 80.81 C +ANISOU 1130 CG ASP A 147 13387 11688 5630 -443 1076 80 C +ATOM 1131 OD1 ASP A 147 15.976 35.547 -5.349 1.00 78.93 O +ANISOU 1131 OD1 ASP A 147 12852 11438 5699 -520 1359 9 O +ATOM 1132 OD2 ASP A 147 14.813 36.121 -7.146 1.00 85.87 O +ANISOU 1132 OD2 ASP A 147 14383 12473 5770 -441 1153 170 O +ATOM 1133 N ACYS A 148 15.900 36.824 -2.502 0.51 79.71 N +ANISOU 1133 N ACYS A 148 12476 11037 6774 -621 1039 283 N +ATOM 1134 N BCYS A 148 15.899 36.860 -2.503 0.49 79.69 N +ANISOU 1134 N BCYS A 148 12478 11032 6770 -623 1038 292 N +ATOM 1135 CA ACYS A 148 16.758 37.871 -1.938 0.51 79.97 C +ANISOU 1135 CA ACYS A 148 12408 10929 7047 -779 1191 531 C +ATOM 1136 CA BCYS A 148 16.683 37.971 -1.973 0.49 80.03 C +ANISOU 1136 CA BCYS A 148 12444 10931 7032 -780 1173 556 C +ATOM 1137 C ACYS A 148 17.692 38.498 -2.971 0.51 83.77 C +ANISOU 1137 C ACYS A 148 13043 11536 7249 -943 1560 727 C +ATOM 1138 C BCYS A 148 17.754 38.459 -2.946 0.49 83.77 C +ANISOU 1138 C BCYS A 148 13024 11538 7266 -946 1575 717 C +ATOM 1139 O ACYS A 148 18.309 39.537 -2.717 0.51 83.99 O +ANISOU 1139 O ACYS A 148 13055 11445 7414 -1106 1674 986 O +ATOM 1140 O BCYS A 148 18.525 39.370 -2.630 0.49 83.99 O +ANISOU 1140 O BCYS A 148 12981 11456 7474 -1113 1727 942 O +ATOM 1141 CB ACYS A 148 17.582 37.308 -0.762 0.51 77.50 C +ANISOU 1141 CB ACYS A 148 11706 10513 7228 -797 1274 368 C +ATOM 1142 CB BCYS A 148 17.288 37.576 -0.624 0.49 76.71 C +ANISOU 1142 CB BCYS A 148 11650 10363 7133 -789 1178 426 C +ATOM 1143 SG ACYS A 148 18.785 36.002 -1.198 0.51 62.12 S +ANISOU 1143 SG ACYS A 148 9525 8765 5314 -792 1647 59 S +ATOM 1144 SG BCYS A 148 16.028 36.977 0.519 0.49 70.67 S +ANISOU 1144 SG BCYS A 148 10785 9451 6614 -614 758 255 S +ATOM 1145 N GLU A 149 17.778 37.870 -4.138 1.00 90.61 N +ANISOU 1145 N GLU A 149 14071 12638 7718 -905 1747 604 N +ATOM 1146 CA GLU A 149 18.700 38.294 -5.180 1.00 90.56 C +ANISOU 1146 CA GLU A 149 14209 12793 7407 -1056 2162 757 C +ATOM 1147 C GLU A 149 18.105 39.394 -6.052 1.00 92.02 C +ANISOU 1147 C GLU A 149 14848 12965 7150 -1112 2072 1084 C +ATOM 1148 O GLU A 149 18.830 40.112 -6.745 1.00 93.29 O +ANISOU 1148 O GLU A 149 15165 13187 7093 -1290 2392 1324 O +ATOM 1149 CB GLU A 149 19.093 37.086 -6.036 1.00100.62 C +ANISOU 1149 CB GLU A 149 15474 14331 8425 -967 2420 455 C +ATOM 1150 CG GLU A 149 20.095 36.166 -5.345 1.00103.34 C +ANISOU 1150 CG GLU A 149 15371 14698 9194 -954 2630 180 C +ATOM 1151 CD GLU A 149 20.394 34.898 -6.121 1.00103.72 C +ANISOU 1151 CD GLU A 149 15411 14982 9017 -821 2835 -163 C +ATOM 1152 OE1 GLU A 149 19.553 34.463 -6.940 1.00105.45 O +ANISOU 1152 OE1 GLU A 149 15939 15309 8820 -693 2683 -268 O +ATOM 1153 OE2 GLU A 149 21.488 34.340 -5.907 1.00101.17 O +ANISOU 1153 OE2 GLU A 149 14766 14729 8944 -836 3134 -341 O +ATOM 1154 N SER A 150 16.782 39.513 -6.034 1.00 91.78 N +ANISOU 1154 N SER A 150 15030 12853 6989 -960 1636 1092 N +ATOM 1155 CA SER A 150 16.108 40.599 -6.751 1.00 91.09 C +ANISOU 1155 CA SER A 150 15380 12708 6521 -978 1461 1399 C +ATOM 1156 C SER A 150 16.348 41.930 -6.040 1.00 88.39 C +ANISOU 1156 C SER A 150 15022 12111 6451 -1126 1408 1729 C +ATOM 1157 O SER A 150 16.444 42.986 -6.677 1.00 86.80 O +ANISOU 1157 O SER A 150 15069 11855 6054 -1219 1441 2031 O +ATOM 1158 CB SER A 150 14.599 40.317 -6.895 1.00 86.24 C +ANISOU 1158 CB SER A 150 14949 12078 5741 -752 975 1282 C +ATOM 1159 OG SER A 150 14.019 39.802 -5.701 1.00 80.20 O +ANISOU 1159 OG SER A 150 13852 11193 5427 -637 700 1080 O +ATOM 1160 N LEU A 151 16.462 41.866 -4.716 1.00 73.28 N +ANISOU 1160 N LEU A 151 9369 10896 7579 206 166 909 N +ATOM 1161 CA LEU A 151 16.670 43.062 -3.911 1.00 73.38 C +ANISOU 1161 CA LEU A 151 9673 10501 7707 83 299 1024 C +ATOM 1162 C LEU A 151 17.857 43.845 -4.444 1.00 76.15 C +ANISOU 1162 C LEU A 151 10149 10806 7980 -210 509 1118 C +ATOM 1163 O LEU A 151 18.856 43.267 -4.884 1.00 74.19 O +ANISOU 1163 O LEU A 151 9695 10804 7691 -408 543 965 O +ATOM 1164 CB LEU A 151 16.881 42.711 -2.436 1.00 69.75 C +ANISOU 1164 CB LEU A 151 9137 9860 7505 -7 219 797 C +ATOM 1165 CG LEU A 151 15.700 43.019 -1.512 1.00 74.65 C +ANISOU 1165 CG LEU A 151 9893 10237 8234 215 138 849 C +ATOM 1166 CD1 LEU A 151 14.592 42.005 -1.693 1.00 84.61 C +ANISOU 1166 CD1 LEU A 151 10957 11735 9456 496 -55 788 C +ATOM 1167 CD2 LEU A 151 16.142 43.036 -0.072 1.00 73.07 C +ANISOU 1167 CD2 LEU A 151 9698 9800 8263 55 122 671 C +ATOM 1168 N GLU A 152 17.729 45.167 -4.402 1.00 68.07 N +ANISOU 1168 N GLU A 152 9459 9463 6940 -235 646 1366 N +ATOM 1169 CA GLU A 152 18.733 46.057 -4.955 1.00 68.27 C +ANISOU 1169 CA GLU A 152 9649 9411 6881 -508 854 1508 C +ATOM 1170 C GLU A 152 19.236 47.021 -3.880 1.00 64.08 C +ANISOU 1170 C GLU A 152 9331 8461 6555 -696 955 1516 C +ATOM 1171 O GLU A 152 18.453 47.613 -3.142 1.00 65.59 O +ANISOU 1171 O GLU A 152 9712 8350 6858 -540 913 1597 O +ATOM 1172 CB GLU A 152 18.133 46.835 -6.119 1.00 73.77 C +ANISOU 1172 CB GLU A 152 10580 10115 7335 -374 924 1845 C +ATOM 1173 CG GLU A 152 19.155 47.438 -7.031 1.00 81.84 C +ANISOU 1173 CG GLU A 152 11699 11204 8192 -653 1124 1989 C +ATOM 1174 CD GLU A 152 18.522 48.060 -8.261 1.00 83.88 C +ANISOU 1174 CD GLU A 152 12172 11517 8181 -509 1165 2322 C +ATOM 1175 OE1 GLU A 152 19.203 48.144 -9.309 1.00 87.45 O +ANISOU 1175 OE1 GLU A 152 12613 12195 8419 -687 1292 2416 O +ATOM 1176 OE2 GLU A 152 17.340 48.465 -8.173 1.00 79.62 O +ANISOU 1176 OE2 GLU A 152 11811 10798 7641 -220 1067 2484 O +ATOM 1177 N VAL A 153 20.549 47.188 -3.809 1.00 54.59 N +ANISOU 1177 N VAL A 153 8089 7249 5404 -1030 1090 1421 N +ATOM 1178 CA VAL A 153 21.154 48.057 -2.809 1.00 55.14 C +ANISOU 1178 CA VAL A 153 8337 6938 5677 -1233 1186 1402 C +ATOM 1179 C VAL A 153 20.811 49.535 -2.978 1.00 58.17 C +ANISOU 1179 C VAL A 153 9110 6967 6027 -1218 1307 1727 C +ATOM 1180 O VAL A 153 20.983 50.114 -4.040 1.00 61.05 O +ANISOU 1180 O VAL A 153 9615 7380 6199 -1287 1426 1963 O +ATOM 1181 CB VAL A 153 22.663 47.890 -2.813 1.00 55.65 C +ANISOU 1181 CB VAL A 153 8256 7095 5792 -1598 1305 1224 C +ATOM 1182 CG1 VAL A 153 23.330 48.939 -1.912 1.00 56.79 C +ANISOU 1182 CG1 VAL A 153 8614 6831 6132 -1823 1426 1238 C +ATOM 1183 CG2 VAL A 153 22.995 46.439 -2.375 1.00 52.83 C +ANISOU 1183 CG2 VAL A 153 7522 7019 5533 -1603 1146 864 C +ATOM 1184 N GLY A 154 20.355 50.138 -1.893 1.00 57.62 N +ANISOU 1184 N GLY A 154 9211 6534 6148 -1136 1268 1727 N +ATOM 1185 CA GLY A 154 19.892 51.508 -1.919 1.00 61.50 C +ANISOU 1185 CA GLY A 154 10066 6655 6645 -1076 1339 2008 C +ATOM 1186 C GLY A 154 18.750 51.680 -0.940 1.00 62.05 C +ANISOU 1186 C GLY A 154 10225 6491 6860 -796 1203 1976 C +ATOM 1187 O GLY A 154 18.343 50.733 -0.242 1.00 55.75 O +ANISOU 1187 O GLY A 154 9209 5825 6147 -669 1067 1748 O +ATOM 1188 N GLU A 155 18.222 52.896 -0.943 1.00 61.23 N +ANISOU 1188 N GLU A 155 10442 6046 6776 -701 1238 2212 N +ATOM 1189 CA GLU A 155 17.227 53.357 0.006 1.00 60.78 C +ANISOU 1189 CA GLU A 155 10519 5703 6872 -463 1139 2196 C +ATOM 1190 C GLU A 155 15.924 52.577 -0.076 1.00 58.66 C +ANISOU 1190 C GLU A 155 10112 5643 6533 -108 971 2153 C +ATOM 1191 O GLU A 155 15.389 52.148 0.940 1.00 56.32 O +ANISOU 1191 O GLU A 155 9708 5317 6374 20 868 1959 O +ATOM 1192 CB GLU A 155 16.946 54.839 -0.276 1.00 74.89 C +ANISOU 1192 CB GLU A 155 12683 7110 8663 -427 1203 2488 C +ATOM 1193 CG GLU A 155 16.329 55.599 0.882 1.00 80.67 C +ANISOU 1193 CG GLU A 155 13584 7456 9612 -287 1146 2439 C +ATOM 1194 CD GLU A 155 16.216 57.101 0.591 1.00 90.31 C +ANISOU 1194 CD GLU A 155 15181 8274 10859 -288 1203 2720 C +ATOM 1195 OE1 GLU A 155 16.232 57.902 1.558 1.00 87.98 O +ANISOU 1195 OE1 GLU A 155 15041 7615 10774 -308 1207 2665 O +ATOM 1196 OE2 GLU A 155 16.115 57.477 -0.604 1.00 94.60 O +ANISOU 1196 OE2 GLU A 155 15867 8862 11213 -270 1235 2993 O +ATOM 1197 N GLU A 156 15.410 52.403 -1.290 1.00 61.04 N +ANISOU 1197 N GLU A 156 10417 6161 6615 46 943 2335 N +ATOM 1198 CA GLU A 156 14.118 51.744 -1.481 1.00 60.87 C +ANISOU 1198 CA GLU A 156 10279 6330 6521 397 782 2316 C +ATOM 1199 C GLU A 156 14.015 50.346 -0.841 1.00 60.99 C +ANISOU 1199 C GLU A 156 9945 6624 6603 435 668 2012 C +ATOM 1200 O GLU A 156 13.079 50.062 -0.103 1.00 56.15 O +ANISOU 1200 O GLU A 156 9274 5977 6085 652 551 1904 O +ATOM 1201 CB GLU A 156 13.818 51.634 -2.970 1.00 61.73 C +ANISOU 1201 CB GLU A 156 10407 6681 6366 506 777 2533 C +ATOM 1202 CG GLU A 156 12.428 51.104 -3.313 1.00 70.36 C +ANISOU 1202 CG GLU A 156 11415 7947 7374 888 611 2550 C +ATOM 1203 CD GLU A 156 11.967 51.579 -4.691 1.00 80.60 C +ANISOU 1203 CD GLU A 156 12884 9308 8432 1031 610 2847 C +ATOM 1204 OE1 GLU A 156 12.642 51.260 -5.696 1.00 86.21 O +ANISOU 1204 OE1 GLU A 156 13527 10277 8952 881 681 2920 O +ATOM 1205 OE2 GLU A 156 10.945 52.299 -4.769 1.00 84.08 O +ANISOU 1205 OE2 GLU A 156 13532 9539 8874 1292 536 3005 O +ATOM 1206 N ASP A 157 14.953 49.461 -1.143 1.00 57.44 N +ANISOU 1206 N ASP A 157 9262 6457 6105 226 694 1873 N +ATOM 1207 CA ASP A 157 14.813 48.088 -0.674 1.00 55.05 C +ANISOU 1207 CA ASP A 157 8632 6430 5855 276 559 1606 C +ATOM 1208 C ASP A 157 15.234 47.942 0.790 1.00 47.97 C +ANISOU 1208 C ASP A 157 7678 5356 5190 134 540 1371 C +ATOM 1209 O ASP A 157 14.712 47.086 1.493 1.00 50.46 O +ANISOU 1209 O ASP A 157 7811 5777 5584 245 405 1188 O +ATOM 1210 CB ASP A 157 15.567 47.116 -1.589 1.00 55.11 C +ANISOU 1210 CB ASP A 157 8390 6826 5725 144 561 1525 C +ATOM 1211 CG ASP A 157 14.911 46.989 -2.969 1.00 60.16 C +ANISOU 1211 CG ASP A 157 9030 7707 6121 348 532 1716 C +ATOM 1212 OD1 ASP A 157 13.767 47.476 -3.141 1.00 51.64 O +ANISOU 1212 OD1 ASP A 157 8110 6516 4996 621 477 1882 O +ATOM 1213 OD2 ASP A 157 15.530 46.399 -3.882 1.00 59.24 O +ANISOU 1213 OD2 ASP A 157 8749 7899 5859 241 559 1688 O +ATOM 1214 N GLU A 158 16.167 48.774 1.247 1.00 49.27 N +ANISOU 1214 N GLU A 158 8003 5255 5462 -116 672 1379 N +ATOM 1215 CA GLU A 158 16.465 48.859 2.676 1.00 47.86 C +ANISOU 1215 CA GLU A 158 7828 4854 5503 -227 657 1184 C +ATOM 1216 C GLU A 158 15.189 49.161 3.429 1.00 47.34 C +ANISOU 1216 C GLU A 158 7860 4617 5509 46 568 1196 C +ATOM 1217 O GLU A 158 14.912 48.581 4.471 1.00 45.09 O +ANISOU 1217 O GLU A 158 7450 4343 5340 80 473 995 O +ATOM 1218 CB GLU A 158 17.473 49.976 2.974 1.00 49.98 C +ANISOU 1218 CB GLU A 158 8311 4805 5873 -491 817 1240 C +ATOM 1219 CG GLU A 158 18.916 49.617 2.690 1.00 61.76 C +ANISOU 1219 CG GLU A 158 9667 6433 7366 -821 905 1129 C +ATOM 1220 CD GLU A 158 19.446 48.508 3.590 1.00 52.47 C +ANISOU 1220 CD GLU A 158 8220 5397 6320 -936 801 808 C +ATOM 1221 OE1 GLU A 158 18.790 48.148 4.589 1.00 49.61 O +ANISOU 1221 OE1 GLU A 158 7812 4976 6061 -801 680 680 O +ATOM 1222 OE2 GLU A 158 20.527 47.977 3.278 1.00 50.99 O +ANISOU 1222 OE2 GLU A 158 7861 5388 6124 -1165 835 681 O +ATOM 1223 N ARG A 159 14.428 50.106 2.895 1.00 49.65 N +ANISOU 1223 N ARG A 159 8386 4746 5732 234 600 1432 N +ATOM 1224 CA ARG A 159 13.206 50.537 3.533 1.00 49.65 C +ANISOU 1224 CA ARG A 159 8495 4569 5802 504 525 1446 C +ATOM 1225 C ARG A 159 12.188 49.441 3.480 1.00 47.44 C +ANISOU 1225 C ARG A 159 7985 4582 5457 746 375 1352 C +ATOM 1226 O ARG A 159 11.508 49.205 4.464 1.00 45.96 O +ANISOU 1226 O ARG A 159 7738 4352 5372 863 296 1209 O +ATOM 1227 CB ARG A 159 12.633 51.786 2.832 1.00 52.91 C +ANISOU 1227 CB ARG A 159 9208 4745 6150 662 572 1727 C +ATOM 1228 CG ARG A 159 11.209 52.139 3.249 1.00 53.11 C +ANISOU 1228 CG ARG A 159 9313 4645 6220 998 472 1742 C +ATOM 1229 CD ARG A 159 10.771 53.444 2.570 1.00 56.62 C +ANISOU 1229 CD ARG A 159 10074 4816 6621 1134 504 2016 C +ATOM 1230 NE ARG A 159 11.792 54.486 2.728 1.00 65.84 N +ANISOU 1230 NE ARG A 159 11471 5668 7878 874 636 2106 N +ATOM 1231 CZ ARG A 159 12.505 55.052 1.746 1.00 73.14 C +ANISOU 1231 CZ ARG A 159 12555 6539 8697 710 736 2331 C +ATOM 1232 NH1 ARG A 159 12.337 54.720 0.463 1.00 74.05 N +ANISOU 1232 NH1 ARG A 159 12641 6900 8594 780 724 2503 N +ATOM 1233 NH2 ARG A 159 13.397 55.986 2.060 1.00 77.00 N +ANISOU 1233 NH2 ARG A 159 13239 6721 9298 468 850 2384 N +ATOM 1234 N ALA A 160 12.080 48.798 2.315 1.00 47.39 N +ANISOU 1234 N ALA A 160 7852 4877 5278 817 338 1433 N +ATOM 1235 CA ALA A 160 11.177 47.664 2.111 1.00 45.35 C +ANISOU 1235 CA ALA A 160 7351 4929 4951 1037 188 1346 C +ATOM 1236 C ALA A 160 11.472 46.533 3.121 1.00 42.22 C +ANISOU 1236 C ALA A 160 6696 4674 4673 919 100 1065 C +ATOM 1237 O ALA A 160 10.566 45.982 3.739 1.00 40.59 O +ANISOU 1237 O ALA A 160 6373 4536 4513 1086 -14 956 O +ATOM 1238 CB ALA A 160 11.309 47.135 0.690 1.00 45.89 C +ANISOU 1238 CB ALA A 160 7313 5304 4819 1071 175 1454 C +ATOM 1239 N LEU A 161 12.740 46.198 3.290 1.00 41.55 N +ANISOU 1239 N LEU A 161 6525 4629 4635 626 147 949 N +ATOM 1240 CA LEU A 161 13.119 45.106 4.186 1.00 38.78 C +ANISOU 1240 CA LEU A 161 5936 4406 4393 499 45 689 C +ATOM 1241 C LEU A 161 12.781 45.481 5.629 1.00 38.15 C +ANISOU 1241 C LEU A 161 5948 4075 4474 500 34 583 C +ATOM 1242 O LEU A 161 12.251 44.658 6.408 1.00 35.98 O +ANISOU 1242 O LEU A 161 5514 3903 4255 563 -91 426 O +ATOM 1243 CB LEU A 161 14.615 44.822 4.075 1.00 39.24 C +ANISOU 1243 CB LEU A 161 5906 4521 4484 181 103 583 C +ATOM 1244 CG LEU A 161 15.106 43.712 5.023 1.00 38.04 C +ANISOU 1244 CG LEU A 161 5521 4474 4457 36 -23 308 C +ATOM 1245 CD1 LEU A 161 14.316 42.480 4.744 1.00 34.02 C +ANISOU 1245 CD1 LEU A 161 4767 4270 3888 219 -198 237 C +ATOM 1246 CD2 LEU A 161 16.616 43.439 4.906 1.00 35.89 C +ANISOU 1246 CD2 LEU A 161 5149 4256 4231 -273 23 178 C +ATOM 1247 N MET A 162 13.077 46.740 5.963 1.00 40.05 N +ANISOU 1247 N MET A 162 6448 3988 4782 427 163 672 N +ATOM 1248 CA MET A 162 12.802 47.289 7.286 1.00 44.28 C +ANISOU 1248 CA MET A 162 7101 4259 5464 428 171 578 C +ATOM 1249 C MET A 162 11.311 47.233 7.585 1.00 42.33 C +ANISOU 1249 C MET A 162 6846 4039 5199 733 85 588 C +ATOM 1250 O MET A 162 10.933 46.831 8.683 1.00 39.41 O +ANISOU 1250 O MET A 162 6394 3668 4911 745 18 423 O +ATOM 1251 CB MET A 162 13.350 48.717 7.418 1.00 42.43 C +ANISOU 1251 CB MET A 162 7154 3664 5302 317 321 689 C +ATOM 1252 CG MET A 162 12.693 49.552 8.498 1.00 50.94 C +ANISOU 1252 CG MET A 162 8400 4455 6500 426 330 651 C +ATOM 1253 SD MET A 162 13.800 50.878 9.017 1.00 82.36 S +ANISOU 1253 SD MET A 162 12638 8028 10626 177 479 671 S +ATOM 1254 CE MET A 162 12.793 51.794 10.192 1.00 73.68 C +ANISOU 1254 CE MET A 162 11712 6632 9652 373 464 614 C +ATOM 1255 N GLU A 163 10.477 47.555 6.599 1.00 40.93 N +ANISOU 1255 N GLU A 163 6734 3912 4906 972 80 772 N +ATOM 1256 CA GLU A 163 9.024 47.478 6.772 1.00 40.74 C +ANISOU 1256 CA GLU A 163 6682 3936 4861 1278 -6 775 C +ATOM 1257 C GLU A 163 8.481 46.040 6.929 1.00 38.09 C +ANISOU 1257 C GLU A 163 6047 3932 4492 1351 -151 629 C +ATOM 1258 O GLU A 163 7.666 45.768 7.814 1.00 37.07 O +ANISOU 1258 O GLU A 163 5848 3818 4420 1456 -215 510 O +ATOM 1259 CB GLU A 163 8.316 48.176 5.604 1.00 43.06 C +ANISOU 1259 CB GLU A 163 7124 4198 5040 1517 9 1010 C +ATOM 1260 CG GLU A 163 8.545 49.678 5.589 1.00 56.47 C +ANISOU 1260 CG GLU A 163 9141 5525 6791 1499 122 1161 C +ATOM 1261 CD GLU A 163 8.040 50.379 4.317 1.00 66.47 C +ANISOU 1261 CD GLU A 163 10578 6749 7930 1694 130 1421 C +ATOM 1262 OE1 GLU A 163 7.594 49.700 3.360 1.00 69.16 O +ANISOU 1262 OE1 GLU A 163 10788 7365 8126 1835 60 1489 O +ATOM 1263 OE2 GLU A 163 8.093 51.628 4.293 1.00 69.76 O +ANISOU 1263 OE2 GLU A 163 11267 6844 8395 1706 198 1558 O +ATOM 1264 N VAL A 164 8.884 45.128 6.060 1.00 37.12 N +ANISOU 1264 N VAL A 164 5746 4082 4277 1300 -205 636 N +ATOM 1265 CA VAL A 164 8.378 43.767 6.201 1.00 42.52 C +ANISOU 1265 CA VAL A 164 6149 5063 4945 1366 -357 498 C +ATOM 1266 C VAL A 164 8.906 43.166 7.502 1.00 33.86 C +ANISOU 1266 C VAL A 164 4949 3943 3975 1150 -404 284 C +ATOM 1267 O VAL A 164 8.192 42.424 8.167 1.00 34.07 O +ANISOU 1267 O VAL A 164 4829 4087 4031 1222 -512 168 O +ATOM 1268 CB VAL A 164 8.681 42.837 4.984 1.00 37.73 C +ANISOU 1268 CB VAL A 164 5350 4768 4219 1369 -428 527 C +ATOM 1269 CG1 VAL A 164 7.954 43.330 3.727 1.00 47.22 C +ANISOU 1269 CG1 VAL A 164 6642 6025 5276 1619 -408 736 C +ATOM 1270 CG2 VAL A 164 10.169 42.701 4.727 1.00 34.06 C +ANISOU 1270 CG2 VAL A 164 4860 4319 3763 1077 -369 485 C +ATOM 1271 N SER A 165 10.132 43.508 7.886 1.00 32.96 N +ANISOU 1271 N SER A 165 4916 3673 3934 886 -325 233 N +ATOM 1272 CA SER A 165 10.718 42.974 9.113 1.00 31.25 C +ANISOU 1272 CA SER A 165 4618 3421 3835 673 -378 31 C +ATOM 1273 C SER A 165 9.914 43.438 10.327 1.00 32.23 C +ANISOU 1273 C SER A 165 4840 3376 4031 755 -369 -30 C +ATOM 1274 O SER A 165 9.620 42.626 11.203 1.00 29.84 O +ANISOU 1274 O SER A 165 4397 3173 3766 720 -474 -176 O +ATOM 1275 CB SER A 165 12.169 43.389 9.277 1.00 31.77 C +ANISOU 1275 CB SER A 165 4769 3328 3973 387 -287 -13 C +ATOM 1276 OG SER A 165 13.002 42.841 8.286 1.00 37.85 O +ANISOU 1276 OG SER A 165 5413 4284 4685 277 -300 -4 O +ATOM 1277 N GLU A 166 9.536 44.714 10.373 1.00 33.38 N +ANISOU 1277 N GLU A 166 5218 3275 4191 866 -252 79 N +ATOM 1278 CA GLU A 166 8.752 45.222 11.502 1.00 35.76 C +ANISOU 1278 CA GLU A 166 5608 3422 4558 958 -237 4 C +ATOM 1279 C GLU A 166 7.300 44.694 11.469 1.00 36.92 C +ANISOU 1279 C GLU A 166 5623 3764 4642 1223 -329 -3 C +ATOM 1280 O GLU A 166 6.711 44.386 12.500 1.00 35.36 O +ANISOU 1280 O GLU A 166 5358 3597 4479 1240 -373 -135 O +ATOM 1281 CB GLU A 166 8.782 46.752 11.530 1.00 43.22 C +ANISOU 1281 CB GLU A 166 6835 4035 5553 1009 -101 108 C +ATOM 1282 CG GLU A 166 7.889 47.389 12.587 1.00 39.12 C +ANISOU 1282 CG GLU A 166 6408 3356 5098 1143 -84 26 C +ATOM 1283 CD GLU A 166 8.248 46.971 14.005 1.00 43.34 C +ANISOU 1283 CD GLU A 166 6878 3875 5712 953 -110 -186 C +ATOM 1284 OE1 GLU A 166 9.348 46.398 14.248 1.00 41.25 O +ANISOU 1284 OE1 GLU A 166 6544 3648 5480 696 -133 -266 O +ATOM 1285 OE2 GLU A 166 7.399 47.190 14.882 1.00 41.09 O +ANISOU 1285 OE2 GLU A 166 6605 3556 5452 1065 -115 -281 O +ATOM 1286 N TYR A 167 6.720 44.605 10.285 1.00 38.52 N +ANISOU 1286 N TYR A 167 5787 4101 4747 1425 -354 136 N +ATOM 1287 CA TYR A 167 5.431 43.959 10.138 1.00 41.46 C +ANISOU 1287 CA TYR A 167 5999 4692 5063 1662 -454 120 C +ATOM 1288 C TYR A 167 5.423 42.524 10.711 1.00 35.53 C +ANISOU 1288 C TYR A 167 4989 4191 4321 1547 -587 -39 C +ATOM 1289 O TYR A 167 4.508 42.142 11.428 1.00 36.90 O +ANISOU 1289 O TYR A 167 5066 4449 4505 1634 -642 -131 O +ATOM 1290 CB TYR A 167 5.055 43.894 8.663 1.00 43.18 C +ANISOU 1290 CB TYR A 167 6190 5051 5167 1856 -482 285 C +ATOM 1291 CG TYR A 167 3.776 43.149 8.440 1.00 39.02 C +ANISOU 1291 CG TYR A 167 5475 4764 4587 2096 -596 259 C +ATOM 1292 CD1 TYR A 167 2.553 43.785 8.606 1.00 45.47 C +ANISOU 1292 CD1 TYR A 167 6362 5507 5409 2355 -584 279 C +ATOM 1293 CD2 TYR A 167 3.789 41.802 8.088 1.00 36.93 C +ANISOU 1293 CD2 TYR A 167 4954 4796 4281 2063 -724 198 C +ATOM 1294 CE1 TYR A 167 1.367 43.110 8.411 1.00 48.77 C +ANISOU 1294 CE1 TYR A 167 6591 6150 5788 2530 -673 237 C +ATOM 1295 CE2 TYR A 167 2.602 41.113 7.897 1.00 41.97 C +ANISOU 1295 CE2 TYR A 167 5415 5644 4888 2222 -809 163 C +ATOM 1296 CZ TYR A 167 1.398 41.769 8.057 1.00 46.26 C +ANISOU 1296 CZ TYR A 167 6024 6112 5440 2365 -750 174 C +ATOM 1297 OH TYR A 167 0.213 41.091 7.869 1.00 51.95 O +ANISOU 1297 OH TYR A 167 6583 7004 6152 2324 -762 112 O +ATOM 1298 N THR A 168 6.441 41.742 10.377 1.00 32.03 N +ANISOU 1298 N THR A 168 4432 3864 3875 1350 -643 -72 N +ATOM 1299 CA THR A 168 6.566 40.359 10.852 1.00 29.45 C +ANISOU 1299 CA THR A 168 3868 3753 3570 1224 -793 -216 C +ATOM 1300 C THR A 168 6.730 40.347 12.379 1.00 30.54 C +ANISOU 1300 C THR A 168 4041 3769 3794 1053 -794 -364 C +ATOM 1301 O THR A 168 6.104 39.563 13.095 1.00 29.67 O +ANISOU 1301 O THR A 168 3793 3791 3689 1053 -895 -461 O +ATOM 1302 CB THR A 168 7.782 39.668 10.175 1.00 27.55 C +ANISOU 1302 CB THR A 168 3518 3625 3326 1037 -850 -237 C +ATOM 1303 OG1 THR A 168 7.499 39.513 8.780 1.00 27.83 O +ANISOU 1303 OG1 THR A 168 3486 3828 3260 1208 -866 -115 O +ATOM 1304 CG2 THR A 168 8.081 38.303 10.799 1.00 24.71 C +ANISOU 1304 CG2 THR A 168 2937 3432 3018 875 -1023 -401 C +ATOM 1305 N ARG A 169 7.528 41.272 12.898 1.00 29.28 N +ANISOU 1305 N ARG A 169 4076 3353 3698 908 -679 -377 N +ATOM 1306 CA ARG A 169 7.766 41.283 14.331 1.00 28.27 C +ANISOU 1306 CA ARG A 169 3988 3109 3644 738 -681 -524 C +ATOM 1307 C ARG A 169 6.450 41.448 15.085 1.00 34.75 C +ANISOU 1307 C ARG A 169 4809 3952 4444 905 -675 -563 C +ATOM 1308 O ARG A 169 6.177 40.690 16.038 1.00 30.78 O +ANISOU 1308 O ARG A 169 4195 3555 3946 815 -761 -683 O +ATOM 1309 CB ARG A 169 8.785 42.333 14.705 1.00 30.90 C +ANISOU 1309 CB ARG A 169 4533 3154 4052 578 -555 -532 C +ATOM 1310 CG ARG A 169 9.287 42.251 16.112 1.00 34.87 C +ANISOU 1310 CG ARG A 169 5070 3548 4632 367 -573 -695 C +ATOM 1311 CD ARG A 169 10.131 43.496 16.439 1.00 31.68 C +ANISOU 1311 CD ARG A 169 4896 2831 4310 254 -431 -695 C +ATOM 1312 NE ARG A 169 9.303 44.694 16.537 1.00 37.87 N +ANISOU 1312 NE ARG A 169 5855 3438 5095 453 -313 -628 N +ATOM 1313 CZ ARG A 169 8.581 45.022 17.598 1.00 33.65 C +ANISOU 1313 CZ ARG A 169 5367 2842 4575 516 -295 -723 C +ATOM 1314 NH1 ARG A 169 7.861 46.117 17.584 1.00 36.59 N +ANISOU 1314 NH1 ARG A 169 5888 3055 4961 711 -200 -672 N +ATOM 1315 NH2 ARG A 169 8.589 44.266 18.678 1.00 39.30 N +ANISOU 1315 NH2 ARG A 169 5983 3656 5292 381 -377 -875 N +ATOM 1316 N AMET A 170 5.630 42.401 14.642 0.48 33.35 N +ANISOU 1316 N AMET A 170 4747 3684 4239 1145 -581 -464 N +ATOM 1317 N BMET A 170 5.616 42.394 14.661 0.52 33.49 N +ANISOU 1317 N BMET A 170 4763 3703 4258 1146 -582 -466 N +ATOM 1318 CA AMET A 170 4.336 42.708 15.273 0.48 33.60 C +ANISOU 1318 CA AMET A 170 4779 3729 4257 1333 -560 -513 C +ATOM 1319 CA BMET A 170 4.341 42.630 15.346 0.52 33.76 C +ANISOU 1319 CA BMET A 170 4788 3760 4277 1320 -567 -523 C +ATOM 1320 C AMET A 170 3.276 41.644 15.009 0.48 30.17 C +ANISOU 1320 C AMET A 170 4114 3592 3756 1474 -677 -525 C +ATOM 1321 C BMET A 170 3.346 41.524 15.065 0.52 30.11 C +ANISOU 1321 C BMET A 170 4092 3599 3750 1448 -688 -535 C +ATOM 1322 O AMET A 170 2.419 41.383 15.843 0.48 30.77 O +ANISOU 1322 O AMET A 170 4113 3758 3822 1515 -697 -623 O +ATOM 1323 O BMET A 170 2.597 41.119 15.942 0.52 31.67 O +ANISOU 1323 O BMET A 170 4197 3900 3938 1455 -721 -639 O +ATOM 1324 CB AMET A 170 3.801 44.055 14.769 0.48 33.16 C +ANISOU 1324 CB AMET A 170 4914 3476 4207 1565 -447 -407 C +ATOM 1325 CB BMET A 170 3.694 43.947 14.926 0.52 34.41 C +ANISOU 1325 CB BMET A 170 5050 3658 4364 1563 -456 -429 C +ATOM 1326 CG AMET A 170 4.492 45.271 15.360 0.48 33.41 C +ANISOU 1326 CG AMET A 170 5186 3185 4324 1464 -327 -426 C +ATOM 1327 CG BMET A 170 2.632 44.410 15.910 0.52 41.02 C +ANISOU 1327 CG BMET A 170 5909 4458 5218 1693 -418 -540 C +ATOM 1328 SD AMET A 170 4.359 45.344 17.159 0.48 50.86 S +ANISOU 1328 SD AMET A 170 7407 5328 6588 1331 -305 -643 S +ATOM 1329 SD BMET A 170 3.326 44.977 17.482 0.52 55.55 S +ANISOU 1329 SD BMET A 170 7886 6079 7139 1459 -341 -703 S +ATOM 1330 CE AMET A 170 2.648 44.822 17.396 0.48 49.64 C +ANISOU 1330 CE AMET A 170 7072 5427 6361 1576 -360 -707 C +ATOM 1331 CE BMET A 170 4.896 45.656 16.936 0.52 49.55 C +ANISOU 1331 CE BMET A 170 7319 5060 6448 1275 -275 -603 C +ATOM 1332 N ALA A 171 3.334 41.042 13.836 1.00 34.43 N +ANISOU 1332 N ALA A 171 4540 4292 4248 1544 -751 -429 N +ATOM 1333 CA ALA A 171 2.389 40.006 13.462 1.00 37.93 C +ANISOU 1333 CA ALA A 171 4757 5016 4639 1680 -872 -436 C +ATOM 1334 C ALA A 171 2.556 38.776 14.385 1.00 30.37 C +ANISOU 1334 C ALA A 171 3626 4213 3701 1466 -996 -569 C +ATOM 1335 O ALA A 171 1.574 38.176 14.815 1.00 32.42 O +ANISOU 1335 O ALA A 171 3744 4637 3937 1534 -1060 -627 O +ATOM 1336 CB ALA A 171 2.597 39.642 12.025 1.00 35.68 C +ANISOU 1336 CB ALA A 171 4397 4857 4302 1775 -928 -318 C +ATOM 1337 N VAL A 172 3.793 38.433 14.711 1.00 27.42 N +ANISOU 1337 N VAL A 172 3269 3778 3372 1204 -1033 -619 N +ATOM 1338 CA VAL A 172 4.074 37.285 15.568 1.00 25.72 C +ANISOU 1338 CA VAL A 172 2911 3679 3181 987 -1173 -735 C +ATOM 1339 C VAL A 172 3.412 37.491 16.927 1.00 31.11 C +ANISOU 1339 C VAL A 172 3636 4324 3858 946 -1130 -830 C +ATOM 1340 O VAL A 172 2.862 36.541 17.506 1.00 29.02 O +ANISOU 1340 O VAL A 172 3220 4233 3573 888 -1240 -893 O +ATOM 1341 CB VAL A 172 5.583 37.062 15.744 1.00 22.31 C +ANISOU 1341 CB VAL A 172 2519 3145 2811 718 -1213 -787 C +ATOM 1342 CG1 VAL A 172 5.902 36.150 16.917 1.00 23.74 C +ANISOU 1342 CG1 VAL A 172 2652 3336 3032 458 -1247 -860 C +ATOM 1343 CG2 VAL A 172 6.192 36.571 14.461 1.00 26.44 C +ANISOU 1343 CG2 VAL A 172 2941 3773 3330 733 -1280 -726 C +ATOM 1344 N LEU A 173 3.428 38.733 17.426 1.00 25.37 N +ANISOU 1344 N LEU A 173 3112 3379 3149 978 -973 -841 N +ATOM 1345 CA LEU A 173 2.866 39.016 18.730 1.00 24.67 C +ANISOU 1345 CA LEU A 173 3069 3255 3049 936 -920 -949 C +ATOM 1346 C LEU A 173 1.366 38.949 18.678 1.00 28.42 C +ANISOU 1346 C LEU A 173 3435 3895 3467 1167 -907 -951 C +ATOM 1347 O LEU A 173 0.741 38.506 19.632 1.00 28.71 O +ANISOU 1347 O LEU A 173 3391 4050 3468 1104 -931 -1045 O +ATOM 1348 CB LEU A 173 3.274 40.388 19.251 1.00 27.84 C +ANISOU 1348 CB LEU A 173 3708 3375 3495 925 -762 -978 C +ATOM 1349 CG LEU A 173 4.766 40.516 19.553 1.00 34.47 C +ANISOU 1349 CG LEU A 173 4660 4036 4401 668 -764 -1010 C +ATOM 1350 CD1 LEU A 173 5.079 41.983 19.900 1.00 36.03 C +ANISOU 1350 CD1 LEU A 173 5096 3941 4655 694 -603 -1023 C +ATOM 1351 CD2 LEU A 173 5.146 39.577 20.675 1.00 35.53 C +ANISOU 1351 CD2 LEU A 173 4716 4254 4530 414 -876 -1131 C +ATOM 1352 N ARG A 174 0.779 39.409 17.573 1.00 24.39 N +ANISOU 1352 N ARG A 174 3538 2620 3111 288 -811 -199 N +ATOM 1353 CA ARG A 174 -0.665 39.387 17.432 1.00 27.21 C +ANISOU 1353 CA ARG A 174 3722 3079 3536 359 -854 -213 C +ATOM 1354 C ARG A 174 -1.169 37.956 17.212 1.00 26.78 C +ANISOU 1354 C ARG A 174 3533 3123 3519 266 -976 -313 C +ATOM 1355 O ARG A 174 -2.205 37.586 17.738 1.00 24.99 O +ANISOU 1355 O ARG A 174 3171 2933 3389 231 -970 -359 O +ATOM 1356 CB ARG A 174 -1.125 40.229 16.268 1.00 28.30 C +ANISOU 1356 CB ARG A 174 3831 3304 3618 555 -904 -149 C +ATOM 1357 CG ARG A 174 -0.921 41.702 16.450 1.00 41.24 C +ANISOU 1357 CG ARG A 174 5576 4855 5238 668 -774 -49 C +ATOM 1358 CD ARG A 174 -1.275 42.327 15.159 1.00 47.56 C +ANISOU 1358 CD ARG A 174 6356 5751 5965 863 -839 11 C +ATOM 1359 NE ARG A 174 -1.132 43.763 15.186 1.00 55.33 N +ANISOU 1359 NE ARG A 174 7441 6655 6928 992 -712 114 N +ATOM 1360 CZ ARG A 174 -0.420 44.463 14.314 1.00 61.40 C +ANISOU 1360 CZ ARG A 174 8329 7397 7602 1106 -694 188 C +ATOM 1361 NH1 ARG A 174 0.260 43.843 13.349 1.00 71.07 N +ANISOU 1361 NH1 ARG A 174 9592 8672 8741 1105 -802 170 N +ATOM 1362 NH2 ARG A 174 -0.378 45.789 14.416 1.00 60.36 N +ANISOU 1362 NH2 ARG A 174 8284 7184 7467 1221 -560 280 N +ATOM 1363 N LEU A 175 -0.475 37.181 16.377 1.00 24.70 N +ANISOU 1363 N LEU A 175 3299 2904 3180 232 -1087 -347 N +ATOM 1364 CA LEU A 175 -0.783 35.762 16.252 1.00 31.22 C +ANISOU 1364 CA LEU A 175 4016 3801 4043 121 -1189 -448 C +ATOM 1365 C LEU A 175 -0.717 35.060 17.608 1.00 30.05 C +ANISOU 1365 C LEU A 175 3876 3562 3979 -48 -1099 -498 C +ATOM 1366 O LEU A 175 -1.555 34.258 17.968 1.00 25.08 O +ANISOU 1366 O LEU A 175 3116 2973 3442 -119 -1116 -569 O +ATOM 1367 CB LEU A 175 0.198 35.108 15.277 1.00 30.77 C +ANISOU 1367 CB LEU A 175 4029 3779 3884 99 -1299 -468 C +ATOM 1368 CG LEU A 175 -0.172 34.998 13.796 1.00 36.97 C +ANISOU 1368 CG LEU A 175 4732 4710 4606 225 -1451 -478 C +ATOM 1369 CD1 LEU A 175 -0.869 36.183 13.214 1.00 40.42 C +ANISOU 1369 CD1 LEU A 175 5132 5207 5020 421 -1446 -407 C +ATOM 1370 CD2 LEU A 175 1.135 34.711 13.028 1.00 42.12 C +ANISOU 1370 CD2 LEU A 175 5520 5345 5139 210 -1511 -463 C +ATOM 1371 N HIS A 176 0.309 35.338 18.373 1.00 24.55 N +ANISOU 1371 N HIS A 176 3334 2740 3251 -112 -1000 -466 N +ATOM 1372 CA HIS A 176 0.430 34.721 19.670 1.00 23.97 C +ANISOU 1372 CA HIS A 176 3284 2581 3242 -254 -910 -508 C +ATOM 1373 C HIS A 176 -0.771 35.038 20.588 1.00 27.91 C +ANISOU 1373 C HIS A 176 3677 3068 3858 -246 -820 -509 C +ATOM 1374 O HIS A 176 -1.324 34.138 21.231 1.00 23.89 O +ANISOU 1374 O HIS A 176 3086 2559 3434 -345 -802 -572 O +ATOM 1375 CB HIS A 176 1.740 35.180 20.316 1.00 28.29 C +ANISOU 1375 CB HIS A 176 4017 3004 3726 -296 -816 -473 C +ATOM 1376 CG HIS A 176 1.994 34.581 21.657 1.00 20.75 C +ANISOU 1376 CG HIS A 176 3106 1962 2816 -426 -724 -513 C +ATOM 1377 ND1 HIS A 176 1.977 33.231 21.877 1.00 25.50 N +ANISOU 1377 ND1 HIS A 176 3668 2579 3441 -544 -763 -585 N +ATOM 1378 CD2 HIS A 176 2.257 35.152 22.849 1.00 26.22 C +ANISOU 1378 CD2 HIS A 176 3879 2552 3531 -449 -589 -493 C +ATOM 1379 CE1 HIS A 176 2.252 32.984 23.149 1.00 27.61 C +ANISOU 1379 CE1 HIS A 176 3999 2756 3737 -628 -655 -602 C +ATOM 1380 NE2 HIS A 176 2.423 34.134 23.754 1.00 26.16 N +ANISOU 1380 NE2 HIS A 176 3886 2503 3551 -572 -553 -549 N +ATOM 1381 N SER A 177 -1.181 36.303 20.649 1.00 24.78 N +ANISOU 1381 N SER A 177 3284 2660 3472 -127 -757 -439 N +ATOM 1382 CA SER A 177 -2.363 36.691 21.432 1.00 24.64 C +ANISOU 1382 CA SER A 177 3162 2639 3563 -104 -676 -434 C +ATOM 1383 C SER A 177 -3.640 36.057 20.983 1.00 25.94 C +ANISOU 1383 C SER A 177 3129 2922 3806 -90 -760 -495 C +ATOM 1384 O SER A 177 -4.454 35.613 21.805 1.00 26.38 O +ANISOU 1384 O SER A 177 3088 2965 3969 -157 -705 -538 O +ATOM 1385 CB SER A 177 -2.570 38.211 21.414 1.00 28.30 C +ANISOU 1385 CB SER A 177 3664 3076 4013 38 -602 -344 C +ATOM 1386 OG SER A 177 -1.892 38.776 22.469 1.00 33.91 O +ANISOU 1386 OG SER A 177 4506 3657 4722 -4 -468 -312 O +ATOM 1387 N ASP A 178 -3.846 36.030 19.681 1.00 29.35 N +ANISOU 1387 N ASP A 178 3494 3470 4187 2 -891 -502 N +ATOM 1388 CA ASP A 178 -4.964 35.292 19.098 1.00 28.50 C +ANISOU 1388 CA ASP A 178 3189 3494 4146 11 -996 -582 C +ATOM 1389 C ASP A 178 -4.994 33.837 19.614 1.00 30.83 C +ANISOU 1389 C ASP A 178 3430 3772 4513 -164 -1004 -680 C +ATOM 1390 O ASP A 178 -6.023 33.338 20.116 1.00 29.89 O +ANISOU 1390 O ASP A 178 3169 3675 4515 -216 -977 -742 O +ATOM 1391 CB ASP A 178 -4.802 35.317 17.572 1.00 31.44 C +ANISOU 1391 CB ASP A 178 3538 3988 4421 123 -1148 -582 C +ATOM 1392 CG ASP A 178 -5.989 34.757 16.825 1.00 38.37 C +ANISOU 1392 CG ASP A 178 4204 5021 5355 168 -1268 -667 C +ATOM 1393 OD1 ASP A 178 -6.654 33.816 17.309 1.00 34.14 O +ANISOU 1393 OD1 ASP A 178 3542 4500 4930 56 -1267 -759 O +ATOM 1394 OD2 ASP A 178 -6.246 35.271 15.716 1.00 33.83 O +ANISOU 1394 OD2 ASP A 178 3587 4555 4710 324 -1364 -645 O +ATOM 1395 N LEU A 179 -3.889 33.130 19.454 1.00 30.87 N +ANISOU 1395 N LEU A 179 3544 3737 4447 -253 -1038 -698 N +ATOM 1396 CA LEU A 179 -3.847 31.705 19.869 1.00 31.18 C +ANISOU 1396 CA LEU A 179 3544 3758 4544 -414 -1044 -789 C +ATOM 1397 C LEU A 179 -4.028 31.549 21.378 1.00 33.52 C +ANISOU 1397 C LEU A 179 3869 3937 4929 -512 -889 -789 C +ATOM 1398 O LEU A 179 -4.803 30.730 21.830 1.00 28.06 O +ANISOU 1398 O LEU A 179 3062 3252 4348 -594 -862 -859 O +ATOM 1399 CB LEU A 179 -2.529 31.051 19.452 1.00 30.20 C +ANISOU 1399 CB LEU A 179 3553 3607 4315 -482 -1103 -797 C +ATOM 1400 CG LEU A 179 -2.291 30.892 17.939 1.00 30.32 C +ANISOU 1400 CG LEU A 179 3539 3738 4243 -408 -1265 -813 C +ATOM 1401 CD1 LEU A 179 -0.898 30.407 17.642 1.00 37.29 C +ANISOU 1401 CD1 LEU A 179 4574 4576 5017 -471 -1303 -807 C +ATOM 1402 CD2 LEU A 179 -3.276 29.942 17.289 1.00 34.09 C +ANISOU 1402 CD2 LEU A 179 3821 4338 4795 -429 -1374 -918 C +ATOM 1403 N VAL A 180 -3.325 32.363 22.158 1.00 30.83 N +ANISOU 1403 N VAL A 180 3680 3491 4543 -499 -781 -714 N +ATOM 1404 CA VAL A 180 -3.364 32.239 23.614 1.00 32.05 C +ANISOU 1404 CA VAL A 180 3883 3533 4762 -583 -633 -711 C +ATOM 1405 C VAL A 180 -4.670 32.655 24.296 1.00 30.94 C +ANISOU 1405 C VAL A 180 3617 3393 4744 -552 -549 -709 C +ATOM 1406 O VAL A 180 -5.143 31.980 25.215 1.00 33.44 O +ANISOU 1406 O VAL A 180 3891 3662 5155 -642 -465 -750 O +ATOM 1407 CB VAL A 180 -2.153 32.966 24.232 1.00 41.87 C +ANISOU 1407 CB VAL A 180 5326 4669 5915 -577 -550 -646 C +ATOM 1408 CG1 VAL A 180 -2.425 33.344 25.654 1.00 43.69 C +ANISOU 1408 CG1 VAL A 180 5590 4802 6208 -602 -395 -624 C +ATOM 1409 CG2 VAL A 180 -0.957 32.050 24.130 1.00 42.61 C +ANISOU 1409 CG2 VAL A 180 5532 4731 5927 -673 -590 -679 C +ATOM 1410 N LEU A 181 -5.298 33.723 23.834 1.00 30.57 N +ANISOU 1410 N LEU A 181 3510 3403 4703 -420 -567 -663 N +ATOM 1411 CA LEU A 181 -6.532 34.191 24.464 1.00 35.06 C +ANISOU 1411 CA LEU A 181 3961 3975 5385 -382 -487 -657 C +ATOM 1412 C LEU A 181 -7.835 33.617 23.910 1.00 36.73 C +ANISOU 1412 C LEU A 181 3953 4303 5700 -373 -563 -735 C +ATOM 1413 O LEU A 181 -8.916 34.045 24.294 1.00 42.24 O +ANISOU 1413 O LEU A 181 4538 5020 6491 -329 -510 -734 O +ATOM 1414 CB LEU A 181 -6.561 35.719 24.361 1.00 42.12 C +ANISOU 1414 CB LEU A 181 4907 4861 6234 -238 -450 -563 C +ATOM 1415 CG LEU A 181 -5.297 36.329 24.958 1.00 36.57 C +ANISOU 1415 CG LEU A 181 4412 4040 5445 -251 -365 -500 C +ATOM 1416 CD1 LEU A 181 -5.221 37.847 24.756 1.00 40.13 C +ANISOU 1416 CD1 LEU A 181 4924 4474 5848 -110 -324 -409 C +ATOM 1417 CD2 LEU A 181 -5.271 36.009 26.435 1.00 42.68 C +ANISOU 1417 CD2 LEU A 181 5233 4704 6281 -352 -227 -513 C +ATOM 1418 N HIS A 182 -7.747 32.643 23.016 1.00 40.35 N +ANISOU 1418 N HIS A 182 4345 4842 6144 -417 -686 -809 N +ATOM 1419 CA HIS A 182 -8.923 31.920 22.589 1.00 48.70 C +ANISOU 1419 CA HIS A 182 5189 6002 7311 -434 -752 -907 C +ATOM 1420 C HIS A 182 -8.828 30.435 22.951 1.00 59.58 C +ANISOU 1420 C HIS A 182 6537 7343 8758 -601 -736 -1000 C +ATOM 1421 O HIS A 182 -7.766 29.949 23.354 1.00 63.80 O +ANISOU 1421 O HIS A 182 7223 7788 9231 -689 -699 -984 O +ATOM 1422 CB HIS A 182 -9.155 32.139 21.094 1.00 42.47 C +ANISOU 1422 CB HIS A 182 4309 5367 6461 -315 -920 -929 C +ATOM 1423 CG HIS A 182 -9.519 33.552 20.762 1.00 41.78 C +ANISOU 1423 CG HIS A 182 4221 5324 6329 -140 -922 -845 C +ATOM 1424 ND1 HIS A 182 -8.587 34.497 20.388 1.00 46.01 N +ANISOU 1424 ND1 HIS A 182 4920 5829 6732 -45 -927 -744 N +ATOM 1425 CD2 HIS A 182 -10.711 34.199 20.813 1.00 39.76 C +ANISOU 1425 CD2 HIS A 182 3828 5131 6148 -43 -904 -844 C +ATOM 1426 CE1 HIS A 182 -9.194 35.655 20.185 1.00 33.91 C +ANISOU 1426 CE1 HIS A 182 3353 4340 5193 106 -912 -683 C +ATOM 1427 NE2 HIS A 182 -10.485 35.499 20.431 1.00 38.40 N +ANISOU 1427 NE2 HIS A 182 3739 4969 5882 113 -903 -741 N +ATOM 1428 N GLU A 183 -9.952 29.735 22.844 1.00 78.50 N +ANISOU 1428 N GLU A 183 8737 9805 11285 -643 -755 -1099 N +ATOM 1429 CA GLU A 183 -10.035 28.318 23.204 1.00 81.79 C +ANISOU 1429 CA GLU A 183 9104 10181 11791 -800 -723 -1194 C +ATOM 1430 C GLU A 183 -10.164 28.139 24.710 1.00 75.57 C +ANISOU 1430 C GLU A 183 8374 9251 11087 -889 -535 -1170 C +ATOM 1431 O GLU A 183 -10.064 27.017 25.210 1.00 77.27 O +ANISOU 1431 O GLU A 183 8595 9401 11364 -1019 -473 -1227 O +ATOM 1432 CB GLU A 183 -8.808 27.544 22.701 1.00 85.38 C +ANISOU 1432 CB GLU A 183 9683 10620 12138 -868 -796 -1206 C +ATOM 1433 CG GLU A 183 -9.109 26.491 21.651 1.00 85.55 C +ANISOU 1433 CG GLU A 183 9587 10752 12166 -898 -913 -1298 C +ATOM 1434 CD GLU A 183 -9.449 27.091 20.296 1.00 86.89 C +ANISOU 1434 CD GLU A 183 9637 11078 12298 -768 -1091 -1331 C +ATOM 1435 OE1 GLU A 183 -8.663 26.894 19.341 1.00 86.53 O +ANISOU 1435 OE1 GLU A 183 9689 11085 12105 -728 -1181 -1294 O +ATOM 1436 OE2 GLU A 183 -10.507 27.750 20.182 1.00 85.57 O +ANISOU 1436 OE2 GLU A 183 9326 10985 12202 -677 -1103 -1346 O +TER 1437 GLU A 183 +ATOM 1438 N SER B 7 -4.181 -10.775 11.879 1.00 66.10 N +ANISOU 1438 N SER B 7 10127 5203 9784 -1210 -507 267 N +ATOM 1439 CA SER B 7 -2.807 -10.452 11.497 1.00 75.53 C +ANISOU 1439 CA SER B 7 11382 6366 10950 -1056 -558 163 C +ATOM 1440 C SER B 7 -2.705 -9.155 10.668 1.00 74.23 C +ANISOU 1440 C SER B 7 11197 6503 10505 -1143 -616 93 C +ATOM 1441 O SER B 7 -3.610 -8.836 9.908 1.00 78.09 O +ANISOU 1441 O SER B 7 11665 7150 10857 -1333 -632 -20 O +ATOM 1442 CB SER B 7 -2.222 -11.613 10.705 1.00 75.59 C +ANISOU 1442 CB SER B 7 11514 6031 11177 -995 -582 -160 C +ATOM 1443 OG SER B 7 -0.839 -11.429 10.504 1.00 80.11 O +ANISOU 1443 OG SER B 7 12134 6548 11756 -783 -623 -266 O +ATOM 1444 N LEU B 8 -1.591 -8.430 10.810 1.00 66.76 N +ANISOU 1444 N LEU B 8 10259 5640 9467 -1004 -641 157 N +ATOM 1445 CA LEU B 8 -1.389 -7.114 10.169 1.00 55.63 C +ANISOU 1445 CA LEU B 8 8844 4527 7766 -1095 -671 144 C +ATOM 1446 C LEU B 8 0.101 -6.832 10.008 1.00 50.72 C +ANISOU 1446 C LEU B 8 8117 4033 7120 -844 -618 65 C +ATOM 1447 O LEU B 8 0.833 -6.803 11.001 1.00 50.55 O +ANISOU 1447 O LEU B 8 8088 3907 7214 -670 -647 266 O +ATOM 1448 CB LEU B 8 -2.012 -5.989 11.012 1.00 55.30 C +ANISOU 1448 CB LEU B 8 8648 4843 7521 -1116 -660 461 C +ATOM 1449 CG LEU B 8 -1.942 -4.592 10.406 1.00 48.75 C +ANISOU 1449 CG LEU B 8 7791 4351 6382 -1223 -684 486 C +ATOM 1450 CD1 LEU B 8 -2.744 -4.550 9.130 1.00 49.93 C +ANISOU 1450 CD1 LEU B 8 7973 4623 6375 -1436 -675 236 C +ATOM 1451 CD2 LEU B 8 -2.432 -3.509 11.365 1.00 49.25 C +ANISOU 1451 CD2 LEU B 8 7668 4769 6276 -1138 -687 731 C +ATOM 1452 N HIS B 9 0.548 -6.573 8.778 1.00 44.98 N +ANISOU 1452 N HIS B 9 7300 3560 6232 -823 -541 -218 N +ATOM 1453 CA HIS B 9 1.989 -6.491 8.463 1.00 40.07 C +ANISOU 1453 CA HIS B 9 6558 3055 5612 -587 -468 -349 C +ATOM 1454 C HIS B 9 2.433 -5.234 7.721 1.00 38.43 C +ANISOU 1454 C HIS B 9 6194 3309 5098 -615 -391 -368 C +ATOM 1455 O HIS B 9 1.699 -4.655 6.933 1.00 37.56 O +ANISOU 1455 O HIS B 9 6081 3438 4751 -796 -371 -430 O +ATOM 1456 CB HIS B 9 2.400 -7.724 7.618 1.00 44.35 C +ANISOU 1456 CB HIS B 9 7137 3405 6310 -465 -426 -734 C +ATOM 1457 CG HIS B 9 2.226 -9.024 8.328 1.00 53.24 C +ANISOU 1457 CG HIS B 9 8415 4040 7772 -398 -504 -728 C +ATOM 1458 ND1 HIS B 9 3.055 -9.426 9.353 1.00 57.70 N +ANISOU 1458 ND1 HIS B 9 8997 4369 8555 -181 -543 -575 N +ATOM 1459 CD2 HIS B 9 1.330 -10.027 8.152 1.00 58.58 C +ANISOU 1459 CD2 HIS B 9 9239 4403 8614 -519 -559 -855 C +ATOM 1460 CE1 HIS B 9 2.672 -10.616 9.783 1.00 63.31 C +ANISOU 1460 CE1 HIS B 9 9874 4639 9543 -170 -613 -592 C +ATOM 1461 NE2 HIS B 9 1.629 -11.004 9.070 1.00 59.75 N +ANISOU 1461 NE2 HIS B 9 9500 4125 9076 -383 -623 -759 N +ATOM 1462 N LEU B 10 3.664 -4.824 7.971 1.00 35.56 N +ANISOU 1462 N LEU B 10 5699 3066 4748 -432 -350 -313 N +ATOM 1463 CA LEU B 10 4.228 -3.690 7.266 1.00 34.52 C +ANISOU 1463 CA LEU B 10 5407 3351 4358 -455 -264 -324 C +ATOM 1464 C LEU B 10 4.417 -4.058 5.809 1.00 41.15 C +ANISOU 1464 C LEU B 10 6207 4356 5073 -446 -143 -687 C +ATOM 1465 O LEU B 10 4.542 -5.233 5.485 1.00 39.69 O +ANISOU 1465 O LEU B 10 6081 3946 5053 -337 -128 -946 O +ATOM 1466 CB LEU B 10 5.584 -3.346 7.841 1.00 34.46 C +ANISOU 1466 CB LEU B 10 5247 3403 4444 -253 -246 -219 C +ATOM 1467 CG LEU B 10 5.631 -2.678 9.228 1.00 31.95 C +ANISOU 1467 CG LEU B 10 4928 3020 4191 -231 -367 144 C +ATOM 1468 CD1 LEU B 10 7.062 -2.596 9.670 1.00 32.74 C +ANISOU 1468 CD1 LEU B 10 4869 3145 4426 0 -354 166 C +ATOM 1469 CD2 LEU B 10 5.051 -1.307 9.173 1.00 29.08 C +ANISOU 1469 CD2 LEU B 10 4538 2943 3568 -427 -400 347 C +ATOM 1470 N PRO B 11 4.476 -3.057 4.926 1.00 36.38 N +ANISOU 1470 N PRO B 11 5507 4143 4171 -547 -59 -708 N +ATOM 1471 CA PRO B 11 4.856 -3.323 3.539 1.00 38.91 C +ANISOU 1471 CA PRO B 11 5767 4678 4340 -499 77 -1043 C +ATOM 1472 C PRO B 11 6.318 -3.730 3.417 1.00 45.95 C +ANISOU 1472 C PRO B 11 6502 5605 5353 -247 183 -1189 C +ATOM 1473 O PRO B 11 7.101 -3.516 4.354 1.00 40.45 O +ANISOU 1473 O PRO B 11 5715 4838 4815 -132 153 -998 O +ATOM 1474 CB PRO B 11 4.645 -1.979 2.863 1.00 37.22 C +ANISOU 1474 CB PRO B 11 5487 4878 3779 -665 134 -932 C +ATOM 1475 CG PRO B 11 4.766 -0.986 3.935 1.00 35.75 C +ANISOU 1475 CG PRO B 11 5255 4713 3614 -716 52 -561 C +ATOM 1476 CD PRO B 11 4.240 -1.630 5.175 1.00 33.73 C +ANISOU 1476 CD PRO B 11 5122 4071 3624 -693 -90 -421 C +ATOM 1477 N LYS B 12 6.682 -4.295 2.265 1.00 51.37 N +ANISOU 1477 N LYS B 12 7149 6415 5955 -149 300 -1537 N +ATOM 1478 CA LYS B 12 8.062 -4.712 2.023 1.00 50.44 C +ANISOU 1478 CA LYS B 12 6864 6372 5931 106 415 -1717 C +ATOM 1479 C LYS B 12 8.978 -3.517 1.971 1.00 45.34 C +ANISOU 1479 C LYS B 12 5997 6097 5131 96 524 -1530 C +ATOM 1480 O LYS B 12 8.616 -2.479 1.432 1.00 48.50 O +ANISOU 1480 O LYS B 12 6372 6803 5251 -91 575 -1412 O +ATOM 1481 CB LYS B 12 8.170 -5.500 0.718 1.00 55.65 C +ANISOU 1481 CB LYS B 12 7529 7131 6486 212 521 -2142 C +ATOM 1482 CG LYS B 12 7.570 -6.865 0.812 1.00 62.74 C +ANISOU 1482 CG LYS B 12 8617 7608 7613 280 406 -2374 C +ATOM 1483 CD LYS B 12 8.209 -7.712 1.932 1.00 79.17 C +ANISOU 1483 CD LYS B 12 10713 9295 10073 487 317 -2325 C +ATOM 1484 CE LYS B 12 9.386 -8.539 1.428 1.00 86.95 C +ANISOU 1484 CE LYS B 12 11585 10294 11158 800 406 -2660 C +ATOM 1485 NZ LYS B 12 9.783 -9.628 2.388 1.00 88.05 N +ANISOU 1485 NZ LYS B 12 11805 9971 11678 1012 285 -2681 N +ATOM 1486 N TYR B 13 10.171 -3.672 2.518 1.00 47.56 N +ANISOU 1486 N TYR B 13 6117 6348 5605 299 552 -1507 N +ATOM 1487 CA TYR B 13 11.082 -2.547 2.639 1.00 49.63 C +ANISOU 1487 CA TYR B 13 6153 6923 5782 280 632 -1303 C +ATOM 1488 C TYR B 13 11.194 -1.808 1.311 1.00 52.75 C +ANISOU 1488 C TYR B 13 6442 7770 5831 165 815 -1388 C +ATOM 1489 O TYR B 13 10.998 -0.596 1.249 1.00 47.31 O +ANISOU 1489 O TYR B 13 5713 7312 4951 -33 827 -1140 O +ATOM 1490 CB TYR B 13 12.465 -3.001 3.127 1.00 54.89 C +ANISOU 1490 CB TYR B 13 6624 7537 6693 552 665 -1371 C +ATOM 1491 CG TYR B 13 13.360 -1.845 3.501 1.00 52.55 C +ANISOU 1491 CG TYR B 13 6093 7499 6376 516 704 -1124 C +ATOM 1492 CD1 TYR B 13 13.065 -1.070 4.600 1.00 53.57 C +ANISOU 1492 CD1 TYR B 13 6263 7515 6575 402 546 -781 C +ATOM 1493 CD2 TYR B 13 14.489 -1.522 2.757 1.00 57.52 C +ANISOU 1493 CD2 TYR B 13 6452 8489 6916 592 894 -1234 C +ATOM 1494 CE1 TYR B 13 13.848 0.004 4.963 1.00 54.98 C +ANISOU 1494 CE1 TYR B 13 6233 7903 6752 359 554 -561 C +ATOM 1495 CE2 TYR B 13 15.303 -0.428 3.120 1.00 58.64 C +ANISOU 1495 CE2 TYR B 13 6364 8854 7063 530 920 -993 C +ATOM 1496 CZ TYR B 13 14.963 0.330 4.230 1.00 60.84 C +ANISOU 1496 CZ TYR B 13 6704 8984 7430 411 737 -661 C +ATOM 1497 OH TYR B 13 15.712 1.427 4.652 1.00 64.47 O +ANISOU 1497 OH TYR B 13 6952 9626 7918 341 727 -424 O +ATOM 1498 N ASP B 14 11.505 -2.545 0.257 1.00 56.77 N +ANISOU 1498 N ASP B 14 6914 8400 6254 299 952 -1737 N +ATOM 1499 CA ASP B 14 11.657 -1.970 -1.078 1.00 51.10 C +ANISOU 1499 CA ASP B 14 6100 8128 5187 225 1146 -1846 C +ATOM 1500 C ASP B 14 10.460 -1.189 -1.558 1.00 48.99 C +ANISOU 1500 C ASP B 14 5995 7988 4632 -45 1108 -1716 C +ATOM 1501 O ASP B 14 10.620 -0.157 -2.185 1.00 48.76 O +ANISOU 1501 O ASP B 14 5874 8321 4331 -177 1224 -1588 O +ATOM 1502 CB ASP B 14 11.913 -3.069 -2.116 1.00 81.92 C +ANISOU 1502 CB ASP B 14 10002 12088 9036 431 1261 -2286 C +ATOM 1503 CG ASP B 14 13.244 -3.738 -1.930 1.00 83.07 C +ANISOU 1503 CG ASP B 14 9944 12224 9397 723 1343 -2458 C +ATOM 1504 OD1 ASP B 14 14.156 -3.070 -1.392 1.00 80.18 O +ANISOU 1504 OD1 ASP B 14 9363 11988 9113 737 1389 -2243 O +ATOM 1505 OD2 ASP B 14 13.376 -4.925 -2.318 1.00 89.51 O +ANISOU 1505 OD2 ASP B 14 10810 12896 10305 944 1348 -2815 O +ATOM 1506 N ASP B 15 9.260 -1.694 -1.308 1.00 50.96 N +ANISOU 1506 N ASP B 15 6481 7946 4935 -125 948 -1756 N +ATOM 1507 CA ASP B 15 8.078 -1.033 -1.821 1.00 46.93 C +ANISOU 1507 CA ASP B 15 6120 7561 4149 -360 902 -1675 C +ATOM 1508 C ASP B 15 7.899 0.287 -1.092 1.00 48.57 C +ANISOU 1508 C ASP B 15 6305 7842 4306 -550 827 -1261 C +ATOM 1509 O ASP B 15 7.571 1.305 -1.699 1.00 49.72 O +ANISOU 1509 O ASP B 15 6457 8277 4157 -717 870 -1135 O +ATOM 1510 CB ASP B 15 6.846 -1.916 -1.676 1.00 48.76 C +ANISOU 1510 CB ASP B 15 6584 7460 4483 -406 744 -1820 C +ATOM 1511 CG ASP B 15 6.911 -3.164 -2.559 1.00 55.84 C +ANISOU 1511 CG ASP B 15 7526 8294 5398 -235 799 -2262 C +ATOM 1512 OD1 ASP B 15 7.811 -3.259 -3.428 1.00 57.01 O +ANISOU 1512 OD1 ASP B 15 7534 8719 5409 -85 974 -2467 O +ATOM 1513 OD2 ASP B 15 6.061 -4.063 -2.367 1.00 58.22 O +ANISOU 1513 OD2 ASP B 15 7999 8265 5858 -249 663 -2406 O +ATOM 1514 N PHE B 16 8.144 0.278 0.212 1.00 51.45 N +ANISOU 1514 N PHE B 16 6650 7945 4955 -509 706 -1052 N +ATOM 1515 CA PHE B 16 7.977 1.485 0.993 1.00 41.85 C +ANISOU 1515 CA PHE B 16 5419 6770 3712 -663 606 -677 C +ATOM 1516 C PHE B 16 8.993 2.520 0.537 1.00 42.46 C +ANISOU 1516 C PHE B 16 5284 7210 3638 -696 750 -554 C +ATOM 1517 O PHE B 16 8.638 3.659 0.262 1.00 40.98 O +ANISOU 1517 O PHE B 16 5115 7232 3225 -883 742 -352 O +ATOM 1518 CB PHE B 16 8.125 1.199 2.491 1.00 40.22 C +ANISOU 1518 CB PHE B 16 5227 6219 3836 -576 448 -500 C +ATOM 1519 CG PHE B 16 8.026 2.424 3.340 1.00 37.77 C +ANISOU 1519 CG PHE B 16 4896 5949 3506 -701 331 -137 C +ATOM 1520 CD1 PHE B 16 6.846 3.154 3.393 1.00 34.76 C +ANISOU 1520 CD1 PHE B 16 4666 5597 2944 -901 221 29 C +ATOM 1521 CD2 PHE B 16 9.107 2.863 4.086 1.00 36.96 C +ANISOU 1521 CD2 PHE B 16 4619 5858 3567 -609 317 26 C +ATOM 1522 CE1 PHE B 16 6.762 4.293 4.176 1.00 32.16 C +ANISOU 1522 CE1 PHE B 16 4324 5302 2595 -996 97 346 C +ATOM 1523 CE2 PHE B 16 9.009 3.998 4.875 1.00 38.09 C +ANISOU 1523 CE2 PHE B 16 4750 6026 3698 -715 186 342 C +ATOM 1524 CZ PHE B 16 7.837 4.717 4.906 1.00 31.98 C +ANISOU 1524 CZ PHE B 16 4138 5277 2736 -905 77 499 C +ATOM 1525 N VAL B 17 10.263 2.130 0.469 1.00 41.54 N +ANISOU 1525 N VAL B 17 4962 7163 3657 -515 877 -670 N +ATOM 1526 CA VAL B 17 11.309 3.043 0.014 1.00 47.24 C +ANISOU 1526 CA VAL B 17 5449 8240 4261 -550 1035 -561 C +ATOM 1527 C VAL B 17 10.985 3.645 -1.361 1.00 49.62 C +ANISOU 1527 C VAL B 17 5772 8912 4170 -697 1189 -607 C +ATOM 1528 O VAL B 17 11.131 4.861 -1.565 1.00 46.37 O +ANISOU 1528 O VAL B 17 5294 8737 3588 -869 1226 -359 O +ATOM 1529 CB VAL B 17 12.712 2.373 0.004 1.00 56.82 C +ANISOU 1529 CB VAL B 17 6417 9503 5668 -310 1172 -741 C +ATOM 1530 CG1 VAL B 17 13.681 3.118 -0.917 1.00 62.88 C +ANISOU 1530 CG1 VAL B 17 6937 10716 6239 -355 1404 -719 C +ATOM 1531 CG2 VAL B 17 13.286 2.338 1.406 1.00 56.58 C +ANISOU 1531 CG2 VAL B 17 6304 9214 5981 -206 1023 -575 C +ATOM 1532 N GLN B 18 10.534 2.822 -2.302 1.00 60.36 N +ANISOU 1532 N GLN B 18 7235 10317 5382 -628 1267 -917 N +ATOM 1533 CA GLN B 18 10.165 3.356 -3.616 1.00 62.96 C +ANISOU 1533 CA GLN B 18 7609 11001 5313 -747 1401 -971 C +ATOM 1534 C GLN B 18 9.048 4.374 -3.464 1.00 55.87 C +ANISOU 1534 C GLN B 18 6894 10002 4333 -961 1210 -683 C +ATOM 1535 O GLN B 18 9.055 5.414 -4.131 1.00 50.41 O +ANISOU 1535 O GLN B 18 6190 9360 3603 -1026 1186 -490 O +ATOM 1536 CB GLN B 18 9.697 2.257 -4.586 1.00 66.80 C +ANISOU 1536 CB GLN B 18 8211 11498 5672 -624 1461 -1371 C +ATOM 1537 CG GLN B 18 10.741 1.227 -5.014 1.00 75.46 C +ANISOU 1537 CG GLN B 18 9146 12656 6869 -357 1623 -1697 C +ATOM 1538 CD GLN B 18 12.166 1.763 -5.013 1.00 85.34 C +ANISOU 1538 CD GLN B 18 10098 14178 8151 -300 1808 -1575 C +ATOM 1539 OE1 GLN B 18 13.102 1.057 -4.621 1.00 84.93 O +ANISOU 1539 OE1 GLN B 18 9884 14033 8351 -88 1850 -1712 O +ATOM 1540 NE2 GLN B 18 12.344 3.004 -5.472 1.00 87.53 N +ANISOU 1540 NE2 GLN B 18 10307 14720 8229 -479 1881 -1297 N +ATOM 1541 N SER B 19 8.087 4.062 -2.592 1.00 50.72 N +ANISOU 1541 N SER B 19 6414 9104 3754 -1026 1034 -658 N +ATOM 1542 CA SER B 19 6.886 4.878 -2.448 1.00 47.50 C +ANISOU 1542 CA SER B 19 6164 8470 3413 -1141 801 -423 C +ATOM 1543 C SER B 19 7.190 6.287 -1.913 1.00 47.02 C +ANISOU 1543 C SER B 19 6017 8348 3501 -1205 694 -71 C +ATOM 1544 O SER B 19 6.385 7.204 -2.058 1.00 49.08 O +ANISOU 1544 O SER B 19 6347 8455 3845 -1242 546 68 O +ATOM 1545 CB SER B 19 5.877 4.188 -1.526 1.00 51.07 C +ANISOU 1545 CB SER B 19 6793 8665 3948 -1185 642 -463 C +ATOM 1546 OG SER B 19 6.301 4.252 -0.177 1.00 47.08 O +ANISOU 1546 OG SER B 19 6241 7999 3649 -1175 558 -273 O +ATOM 1547 N ILE B 20 8.337 6.477 -1.292 1.00 49.03 N +ANISOU 1547 N ILE B 20 6103 8709 3818 -1196 769 37 N +ATOM 1548 CA ILE B 20 8.613 7.791 -0.748 1.00 44.62 C +ANISOU 1548 CA ILE B 20 5476 8053 3425 -1249 635 322 C +ATOM 1549 C ILE B 20 9.781 8.464 -1.436 1.00 47.86 C +ANISOU 1549 C ILE B 20 5702 8694 3790 -1258 782 377 C +ATOM 1550 O ILE B 20 10.281 9.480 -0.951 1.00 47.68 O +ANISOU 1550 O ILE B 20 5592 8624 3899 -1303 694 578 O +ATOM 1551 CB ILE B 20 8.921 7.736 0.736 1.00 43.30 C +ANISOU 1551 CB ILE B 20 5265 7757 3430 -1245 527 480 C +ATOM 1552 CG1 ILE B 20 10.155 6.878 0.999 1.00 45.57 C +ANISOU 1552 CG1 ILE B 20 5353 8236 3726 -1160 726 391 C +ATOM 1553 CG2 ILE B 20 7.709 7.223 1.517 1.00 38.33 C +ANISOU 1553 CG2 ILE B 20 4833 6852 2877 -1241 352 474 C +ATOM 1554 CD1 ILE B 20 10.617 6.973 2.449 1.00 44.10 C +ANISOU 1554 CD1 ILE B 20 5096 7800 3862 -1077 557 566 C +ATOM 1555 N SER B 21 10.225 7.901 -2.551 1.00 51.71 N +ANISOU 1555 N SER B 21 6127 9420 4100 -1206 999 183 N +ATOM 1556 CA SER B 21 11.439 8.397 -3.194 1.00 57.87 C +ANISOU 1556 CA SER B 21 6708 10437 4844 -1202 1172 227 C +ATOM 1557 C SER B 21 11.272 9.807 -3.745 1.00 51.40 C +ANISOU 1557 C SER B 21 5943 9564 4024 -1298 1074 422 C +ATOM 1558 O SER B 21 12.235 10.597 -3.784 1.00 53.77 O +ANISOU 1558 O SER B 21 6092 9964 4374 -1345 1127 565 O +ATOM 1559 CB SER B 21 11.860 7.474 -4.326 1.00 61.03 C +ANISOU 1559 CB SER B 21 7042 11085 5062 -1088 1417 -51 C +ATOM 1560 OG SER B 21 13.263 7.489 -4.410 1.00 73.09 O +ANISOU 1560 OG SER B 21 8298 12837 6635 -1034 1611 -52 O +ATOM 1561 N VAL B 22 10.053 10.111 -4.175 1.00 50.32 N +ANISOU 1561 N VAL B 22 6006 9269 3844 -1315 941 410 N +ATOM 1562 CA VAL B 22 9.753 11.394 -4.782 1.00 51.34 C +ANISOU 1562 CA VAL B 22 6195 9345 3969 -1373 862 546 C +ATOM 1563 C VAL B 22 9.962 12.524 -3.771 1.00 47.48 C +ANISOU 1563 C VAL B 22 5658 8691 3690 -1436 685 748 C +ATOM 1564 O VAL B 22 10.244 13.644 -4.148 1.00 51.53 O +ANISOU 1564 O VAL B 22 6148 9224 4209 -1493 665 868 O +ATOM 1565 CB VAL B 22 8.315 11.422 -5.339 1.00 51.22 C +ANISOU 1565 CB VAL B 22 6377 9179 3907 -1346 755 471 C +ATOM 1566 CG1 VAL B 22 7.290 11.508 -4.229 1.00 52.41 C +ANISOU 1566 CG1 VAL B 22 6613 9038 4263 -1339 535 504 C +ATOM 1567 CG2 VAL B 22 8.146 12.575 -6.299 1.00 52.86 C +ANISOU 1567 CG2 VAL B 22 6627 9417 4041 -1381 750 564 C +ATOM 1568 N LEU B 23 9.856 12.236 -2.482 1.00 45.24 N +ANISOU 1568 N LEU B 23 5362 8254 3574 -1420 558 778 N +ATOM 1569 CA LEU B 23 9.987 13.303 -1.482 1.00 42.65 C +ANISOU 1569 CA LEU B 23 4996 7762 3448 -1454 368 936 C +ATOM 1570 C LEU B 23 11.416 13.772 -1.268 1.00 41.18 C +ANISOU 1570 C LEU B 23 4619 7736 3293 -1506 439 1067 C +ATOM 1571 O LEU B 23 11.656 14.757 -0.561 1.00 48.78 O +ANISOU 1571 O LEU B 23 5539 8595 4399 -1540 283 1194 O +ATOM 1572 CB LEU B 23 9.452 12.827 -0.152 1.00 41.68 C +ANISOU 1572 CB LEU B 23 4917 7427 3493 -1402 215 928 C +ATOM 1573 CG LEU B 23 8.004 12.362 -0.132 1.00 35.97 C +ANISOU 1573 CG LEU B 23 4359 6511 2796 -1350 138 813 C +ATOM 1574 CD1 LEU B 23 7.669 11.956 1.290 1.00 32.07 C +ANISOU 1574 CD1 LEU B 23 3886 5815 2485 -1298 8 833 C +ATOM 1575 CD2 LEU B 23 7.114 13.491 -0.646 1.00 40.63 C +ANISOU 1575 CD2 LEU B 23 4952 7104 3382 -1468 11 837 C +ATOM 1576 N ALA B 24 12.362 13.038 -1.835 1.00 45.34 N +ANISOU 1576 N ALA B 24 5008 8515 3704 -1496 680 1013 N +ATOM 1577 CA ALA B 24 13.782 13.303 -1.637 1.00 52.52 C +ANISOU 1577 CA ALA B 24 5685 9591 4680 -1528 792 1116 C +ATOM 1578 C ALA B 24 14.130 13.513 -0.165 1.00 50.97 C +ANISOU 1578 C ALA B 24 5410 9255 4703 -1522 620 1241 C +ATOM 1579 O ALA B 24 14.756 14.509 0.190 1.00 44.81 O +ANISOU 1579 O ALA B 24 4542 8455 4029 -1581 533 1392 O +ATOM 1580 CB ALA B 24 14.218 14.515 -2.467 1.00 58.05 C +ANISOU 1580 CB ALA B 24 6358 10372 5327 -1622 827 1231 C +ATOM 1581 N LEU B 25 13.743 12.576 0.693 1.00 52.49 N +ANISOU 1581 N LEU B 25 5633 9353 4959 -1446 568 1187 N +ATOM 1582 CA LEU B 25 14.086 12.695 2.102 1.00 48.04 C +ANISOU 1582 CA LEU B 25 4991 8661 4602 -1419 406 1319 C +ATOM 1583 C LEU B 25 15.589 12.542 2.338 1.00 52.91 C +ANISOU 1583 C LEU B 25 5296 9462 5346 -1404 560 1374 C +ATOM 1584 O LEU B 25 16.295 11.875 1.590 1.00 51.69 O +ANISOU 1584 O LEU B 25 4962 9540 5138 -1367 824 1245 O +ATOM 1585 CB LEU B 25 13.326 11.679 2.952 1.00 41.74 C +ANISOU 1585 CB LEU B 25 4299 7716 3846 -1338 330 1270 C +ATOM 1586 CG LEU B 25 11.803 11.739 2.832 1.00 41.80 C +ANISOU 1586 CG LEU B 25 4579 7503 3801 -1333 180 1181 C +ATOM 1587 CD1 LEU B 25 11.155 10.810 3.834 1.00 41.08 C +ANISOU 1587 CD1 LEU B 25 4590 7234 3785 -1258 91 1168 C +ATOM 1588 CD2 LEU B 25 11.314 13.199 2.977 1.00 46.18 C +ANISOU 1588 CD2 LEU B 25 5199 7886 4460 -1367 -30 1236 C +ATOM 1589 N THR B 26 16.045 13.156 3.417 1.00 62.40 N +ANISOU 1589 N THR B 26 6419 10545 6746 -1405 379 1536 N +ATOM 1590 CA THR B 26 17.441 13.160 3.788 1.00 69.05 C +ANISOU 1590 CA THR B 26 6946 11498 7791 -1380 469 1585 C +ATOM 1591 C THR B 26 17.825 11.909 4.561 1.00 64.56 C +ANISOU 1591 C THR B 26 6162 10950 7417 -1227 530 1504 C +ATOM 1592 O THR B 26 19.007 11.654 4.782 1.00 67.96 O +ANISOU 1592 O THR B 26 6277 11486 8061 -1141 619 1458 O +ATOM 1593 CB THR B 26 17.721 14.361 4.694 1.00 69.99 C +ANISOU 1593 CB THR B 26 7084 11451 8060 -1423 211 1779 C +ATOM 1594 OG1 THR B 26 16.813 14.336 5.811 1.00 66.99 O +ANISOU 1594 OG1 THR B 26 6890 10834 7727 -1359 -55 1851 O +ATOM 1595 CG2 THR B 26 17.533 15.646 3.915 1.00 69.04 C +ANISOU 1595 CG2 THR B 26 7093 11340 7798 -1550 161 1841 C +ATOM 1596 N MET B 27 16.829 11.146 5.000 1.00 52.91 N +ANISOU 1596 N MET B 27 4844 9359 5900 -1173 462 1477 N +ATOM 1597 CA MET B 27 17.095 9.948 5.789 1.00 47.74 C +ANISOU 1597 CA MET B 27 4169 8481 5488 -893 401 1292 C +ATOM 1598 C MET B 27 16.550 8.715 5.105 1.00 42.31 C +ANISOU 1598 C MET B 27 3628 7769 4679 -771 546 1020 C +ATOM 1599 O MET B 27 15.719 8.808 4.189 1.00 42.06 O +ANISOU 1599 O MET B 27 3761 7853 4365 -906 641 989 O +ATOM 1600 CB MET B 27 16.413 10.072 7.126 1.00 46.98 C +ANISOU 1600 CB MET B 27 4270 8059 5520 -833 96 1433 C +ATOM 1601 CG MET B 27 14.960 9.620 7.062 1.00 57.52 C +ANISOU 1601 CG MET B 27 5945 9237 6675 -853 36 1396 C +ATOM 1602 SD MET B 27 13.864 10.670 7.988 1.00 50.90 S +ANISOU 1602 SD MET B 27 5341 8231 5768 -985 -262 1682 S +ATOM 1603 CE MET B 27 13.609 11.969 6.823 1.00 57.29 C +ANISOU 1603 CE MET B 27 6197 9205 6365 -1176 -228 1664 C +ATOM 1604 N SER B 28 16.959 7.554 5.604 1.00 43.75 N +ANISOU 1604 N SER B 28 4787 6822 5015 -408 588 457 N +ATOM 1605 CA SER B 28 16.521 6.280 5.043 1.00 43.09 C +ANISOU 1605 CA SER B 28 4767 6776 4829 -335 649 342 C +ATOM 1606 C SER B 28 15.118 5.846 5.496 1.00 43.02 C +ANISOU 1606 C SER B 28 4885 6625 4835 -269 544 329 C +ATOM 1607 O SER B 28 14.548 6.376 6.470 1.00 35.07 O +ANISOU 1607 O SER B 28 3898 5490 3939 -248 435 375 O +ATOM 1608 CB SER B 28 17.506 5.181 5.431 1.00 39.26 C +ANISOU 1608 CB SER B 28 4188 6337 4393 -205 731 183 C +ATOM 1609 OG SER B 28 17.467 4.954 6.843 1.00 36.50 O +ANISOU 1609 OG SER B 28 3830 5838 4198 -94 639 146 O +ATOM 1610 N GLY B 29 14.567 4.851 4.801 1.00 35.29 N +ANISOU 1610 N GLY B 29 3990 5678 3740 -240 580 257 N +ATOM 1611 CA GLY B 29 13.285 4.316 5.202 1.00 37.03 C +ANISOU 1611 CA GLY B 29 4320 5784 3965 -188 491 234 C +ATOM 1612 C GLY B 29 13.309 3.808 6.626 1.00 39.78 C +ANISOU 1612 C GLY B 29 4653 6018 4444 -77 437 162 C +ATOM 1613 O GLY B 29 12.359 4.011 7.385 1.00 35.26 O +ANISOU 1613 O GLY B 29 4128 5340 3931 -70 344 187 O +ATOM 1614 N SER B 30 14.386 3.131 7.004 1.00 35.22 N +ANISOU 1614 N SER B 30 4007 5462 3910 7 491 64 N +ATOM 1615 CA SER B 30 14.472 2.597 8.351 1.00 33.86 C +ANISOU 1615 CA SER B 30 3841 5171 3852 101 424 -3 C +ATOM 1616 C SER B 30 14.507 3.708 9.409 1.00 26.93 C +ANISOU 1616 C SER B 30 2914 4212 3106 72 353 82 C +ATOM 1617 O SER B 30 13.830 3.606 10.423 1.00 30.84 O +ANISOU 1617 O SER B 30 3466 4595 3658 95 272 73 O +ATOM 1618 CB SER B 30 15.669 1.663 8.468 1.00 39.64 C +ANISOU 1618 CB SER B 30 4512 5935 4616 204 474 -129 C +ATOM 1619 OG SER B 30 15.396 0.462 7.764 1.00 41.58 O +ANISOU 1619 OG SER B 30 4840 6208 4751 255 504 -230 O +ATOM 1620 N GLU B 31 15.282 4.757 9.156 1.00 30.62 N +ANISOU 1620 N GLU B 31 3283 4741 3610 11 384 161 N +ATOM 1621 CA GLU B 31 15.373 5.879 10.080 1.00 29.97 C +ANISOU 1621 CA GLU B 31 3162 4579 3647 -19 309 245 C +ATOM 1622 C GLU B 31 14.047 6.577 10.236 1.00 28.98 C +ANISOU 1622 C GLU B 31 3114 4377 3520 -65 221 316 C +ATOM 1623 O GLU B 31 13.675 6.966 11.344 1.00 31.43 O +ANISOU 1623 O GLU B 31 3436 4580 3924 -43 143 322 O +ATOM 1624 CB GLU B 31 16.406 6.886 9.606 1.00 33.34 C +ANISOU 1624 CB GLU B 31 3483 5095 4092 -100 351 328 C +ATOM 1625 CG GLU B 31 16.561 8.074 10.551 1.00 36.52 C +ANISOU 1625 CG GLU B 31 3854 5403 4618 -134 259 417 C +ATOM 1626 CD GLU B 31 17.948 8.676 10.479 1.00 45.10 C +ANISOU 1626 CD GLU B 31 4815 6566 5754 -185 300 460 C +ATOM 1627 OE1 GLU B 31 18.768 8.200 9.676 1.00 48.82 O +ANISOU 1627 OE1 GLU B 31 5209 7178 6164 -197 411 414 O +ATOM 1628 OE2 GLU B 31 18.222 9.619 11.232 1.00 49.08 O +ANISOU 1628 OE2 GLU B 31 5294 6995 6359 -216 223 532 O +ATOM 1629 N LEU B 32 13.326 6.734 9.133 1.00 30.47 N +ANISOU 1629 N LEU B 32 3354 4620 3604 -127 230 362 N +ATOM 1630 CA LEU B 32 12.008 7.335 9.176 1.00 30.14 C +ANISOU 1630 CA LEU B 32 3375 4510 3568 -158 136 414 C +ATOM 1631 C LEU B 32 11.028 6.479 9.981 1.00 32.56 C +ANISOU 1631 C LEU B 32 3740 4743 3887 -92 102 325 C +ATOM 1632 O LEU B 32 10.219 7.007 10.765 1.00 31.19 O +ANISOU 1632 O LEU B 32 3575 4491 3786 -86 23 331 O +ATOM 1633 CB LEU B 32 11.494 7.558 7.764 1.00 29.62 C +ANISOU 1633 CB LEU B 32 3360 4514 3380 -241 142 477 C +ATOM 1634 CG LEU B 32 10.033 7.948 7.649 1.00 27.44 C +ANISOU 1634 CG LEU B 32 3148 4173 3105 -258 37 509 C +ATOM 1635 CD1 LEU B 32 9.841 9.266 8.343 1.00 25.05 C +ANISOU 1635 CD1 LEU B 32 2813 3780 2927 -269 -72 576 C +ATOM 1636 CD2 LEU B 32 9.639 8.034 6.177 1.00 28.65 C +ANISOU 1636 CD2 LEU B 32 3366 4393 3126 -345 36 571 C +ATOM 1637 N HIS B 33 11.089 5.162 9.797 1.00 28.46 N +ANISOU 1637 N HIS B 33 3264 4254 3295 -49 156 236 N +ATOM 1638 CA HIS B 33 10.224 4.286 10.554 1.00 30.32 C +ANISOU 1638 CA HIS B 33 3569 4425 3526 -12 119 158 C +ATOM 1639 C HIS B 33 10.560 4.350 12.043 1.00 22.37 C +ANISOU 1639 C HIS B 33 2542 3329 2629 27 81 123 C +ATOM 1640 O HIS B 33 9.670 4.384 12.889 1.00 22.62 O +ANISOU 1640 O HIS B 33 2606 3301 2688 18 29 100 O +ATOM 1641 CB HIS B 33 10.274 2.841 10.038 1.00 28.65 C +ANISOU 1641 CB HIS B 33 3429 4247 3210 22 164 73 C +ATOM 1642 CG HIS B 33 9.232 1.988 10.666 1.00 27.58 C +ANISOU 1642 CG HIS B 33 3383 4051 3045 25 113 13 C +ATOM 1643 ND1 HIS B 33 9.521 0.878 11.432 1.00 23.70 N +ANISOU 1643 ND1 HIS B 33 2953 3500 2552 69 96 -73 N +ATOM 1644 CD2 HIS B 33 7.895 2.153 10.740 1.00 20.39 C +ANISOU 1644 CD2 HIS B 33 2505 3128 2115 -24 65 29 C +ATOM 1645 CE1 HIS B 33 8.400 0.368 11.901 1.00 27.27 C +ANISOU 1645 CE1 HIS B 33 3483 3915 2965 30 48 -100 C +ATOM 1646 NE2 HIS B 33 7.403 1.134 11.510 1.00 22.18 N +ANISOU 1646 NE2 HIS B 33 2808 3305 2313 -23 36 -45 N +ATOM 1647 N GLY B 34 11.847 4.435 12.369 1.00 23.14 N +ANISOU 1647 N GLY B 34 2581 3424 2789 60 105 119 N +ATOM 1648 CA GLY B 34 12.263 4.639 13.753 1.00 26.10 C +ANISOU 1648 CA GLY B 34 2940 3706 3270 87 57 101 C +ATOM 1649 C GLY B 34 11.660 5.878 14.349 1.00 27.19 C +ANISOU 1649 C GLY B 34 3056 3794 3480 49 -1 161 C +ATOM 1650 O GLY B 34 11.152 5.873 15.480 1.00 22.51 O +ANISOU 1650 O GLY B 34 2498 3126 2927 51 -49 123 O +ATOM 1651 N ILE B 35 11.693 6.957 13.590 1.00 24.70 N +ANISOU 1651 N ILE B 35 2691 3519 3175 8 -5 249 N +ATOM 1652 CA ILE B 35 11.136 8.219 14.067 1.00 23.78 C +ANISOU 1652 CA ILE B 35 2557 3343 3135 -15 -82 302 C +ATOM 1653 C ILE B 35 9.643 8.059 14.381 1.00 24.60 C +ANISOU 1653 C ILE B 35 2705 3421 3219 -13 -119 249 C +ATOM 1654 O ILE B 35 9.143 8.446 15.443 1.00 19.84 O +ANISOU 1654 O ILE B 35 2102 2755 2680 -1 -165 212 O +ATOM 1655 CB ILE B 35 11.347 9.326 13.006 1.00 26.24 C +ANISOU 1655 CB ILE B 35 2833 3695 3441 -73 -102 413 C +ATOM 1656 CG1 ILE B 35 12.829 9.670 12.899 1.00 30.58 C +ANISOU 1656 CG1 ILE B 35 3319 4278 4024 -96 -67 466 C +ATOM 1657 CG2 ILE B 35 10.577 10.579 13.379 1.00 24.88 C +ANISOU 1657 CG2 ILE B 35 2661 3446 3347 -84 -209 456 C +ATOM 1658 CD1 ILE B 35 13.145 10.645 11.739 1.00 27.19 C +ANISOU 1658 CD1 ILE B 35 2868 3908 3555 -189 -77 584 C +ATOM 1659 N MET B 36 8.918 7.485 13.441 1.00 20.18 N +ANISOU 1659 N MET B 36 2180 2921 2566 -29 -97 240 N +ATOM 1660 CA MET B 36 7.505 7.227 13.608 1.00 19.45 C +ANISOU 1660 CA MET B 36 2114 2826 2448 -36 -127 186 C +ATOM 1661 C MET B 36 7.257 6.452 14.888 1.00 25.61 C +ANISOU 1661 C MET B 36 2929 3569 3232 -26 -116 92 C +ATOM 1662 O MET B 36 6.361 6.781 15.680 1.00 21.82 O +ANISOU 1662 O MET B 36 2435 3067 2790 -34 -149 44 O +ATOM 1663 CB MET B 36 7.030 6.421 12.425 1.00 20.54 C +ANISOU 1663 CB MET B 36 2300 3034 2471 -59 -97 187 C +ATOM 1664 CG MET B 36 6.890 7.163 11.152 1.00 25.45 C +ANISOU 1664 CG MET B 36 2911 3692 3065 -94 -125 275 C +ATOM 1665 SD MET B 36 6.167 6.049 9.925 1.00 27.07 S +ANISOU 1665 SD MET B 36 3193 3970 3123 -125 -95 256 S +ATOM 1666 CE MET B 36 6.245 7.071 8.456 1.00 26.81 C +ANISOU 1666 CE MET B 36 3165 3970 3051 -187 -137 378 C +ATOM 1667 N CYS B 37 8.041 5.403 15.095 1.00 19.32 N +ANISOU 1667 N CYS B 37 2181 2766 2393 -13 -76 59 N +ATOM 1668 CA CYS B 37 7.916 4.576 16.292 1.00 18.42 C +ANISOU 1668 CA CYS B 37 2130 2603 2267 -22 -84 -19 C +ATOM 1669 C CYS B 37 8.323 5.266 17.573 1.00 18.17 C +ANISOU 1669 C CYS B 37 2078 2499 2329 -17 -116 -26 C +ATOM 1670 O CYS B 37 7.778 4.990 18.616 1.00 23.02 O +ANISOU 1670 O CYS B 37 2735 3080 2930 -52 -130 -87 O +ATOM 1671 CB CYS B 37 8.665 3.240 16.107 1.00 20.77 C +ANISOU 1671 CB CYS B 37 2501 2892 2499 0 -63 -56 C +ATOM 1672 SG CYS B 37 7.866 2.223 14.871 1.00 26.38 S +ANISOU 1672 SG CYS B 37 3274 3673 3076 -20 -38 -76 S +ATOM 1673 N GLY B 38 9.241 6.213 17.497 1.00 21.03 N +ANISOU 1673 N GLY B 38 2376 2838 2775 11 -128 37 N +ATOM 1674 CA GLY B 38 9.543 7.075 18.645 1.00 25.80 C +ANISOU 1674 CA GLY B 38 2960 3368 3474 14 -171 39 C +ATOM 1675 C GLY B 38 8.338 7.898 19.073 1.00 25.20 C +ANISOU 1675 C GLY B 38 2861 3289 3426 -1 -201 8 C +ATOM 1676 O GLY B 38 7.946 7.951 20.253 1.00 20.91 O +ANISOU 1676 O GLY B 38 2343 2706 2896 -20 -214 -58 O +ATOM 1677 N TYR B 39 7.713 8.559 18.116 1.00 23.18 N +ANISOU 1677 N TYR B 39 2554 3074 3177 6 -217 46 N +ATOM 1678 CA TYR B 39 6.487 9.262 18.417 1.00 19.24 C +ANISOU 1678 CA TYR B 39 2018 2578 2715 10 -255 -4 C +ATOM 1679 C TYR B 39 5.421 8.304 18.977 1.00 23.91 C +ANISOU 1679 C TYR B 39 2639 3217 3230 -29 -214 -110 C +ATOM 1680 O TYR B 39 4.742 8.634 19.963 1.00 19.94 O +ANISOU 1680 O TYR B 39 2115 2707 2753 -39 -220 -193 O +ATOM 1681 CB TYR B 39 5.938 9.932 17.177 1.00 20.04 C +ANISOU 1681 CB TYR B 39 2075 2711 2829 22 -299 53 C +ATOM 1682 CG TYR B 39 6.566 11.203 16.747 1.00 20.17 C +ANISOU 1682 CG TYR B 39 2062 2676 2925 39 -371 149 C +ATOM 1683 CD1 TYR B 39 6.302 12.407 17.391 1.00 28.45 C +ANISOU 1683 CD1 TYR B 39 3077 3652 4080 72 -456 134 C +ATOM 1684 CD2 TYR B 39 7.341 11.232 15.601 1.00 20.45 C +ANISOU 1684 CD2 TYR B 39 2108 2741 2923 11 -362 254 C +ATOM 1685 CE1 TYR B 39 6.863 13.588 16.934 1.00 28.03 C +ANISOU 1685 CE1 TYR B 39 3016 3539 4094 74 -545 234 C +ATOM 1686 CE2 TYR B 39 7.897 12.374 15.145 1.00 25.36 C +ANISOU 1686 CE2 TYR B 39 2714 3322 3598 -4 -432 354 C +ATOM 1687 CZ TYR B 39 7.650 13.551 15.796 1.00 25.55 C +ANISOU 1687 CZ TYR B 39 2720 3260 3730 25 -533 351 C +ATOM 1688 OH TYR B 39 8.203 14.654 15.230 1.00 27.47 O +ANISOU 1688 OH TYR B 39 2967 3456 4013 -7 -621 464 O +ATOM 1689 N LEU B 40 5.257 7.123 18.365 1.00 18.51 N +ANISOU 1689 N LEU B 40 2005 2584 2444 -60 -173 -114 N +ATOM 1690 CA LEU B 40 4.186 6.221 18.794 1.00 21.23 C +ANISOU 1690 CA LEU B 40 2382 2979 2704 -120 -144 -202 C +ATOM 1691 C LEU B 40 4.443 5.666 20.203 1.00 21.09 C +ANISOU 1691 C LEU B 40 2437 2921 2657 -171 -128 -265 C +ATOM 1692 O LEU B 40 3.545 5.547 21.030 1.00 24.08 O +ANISOU 1692 O LEU B 40 2814 3334 3002 -231 -110 -350 O +ATOM 1693 CB LEU B 40 4.022 5.104 17.812 1.00 22.39 C +ANISOU 1693 CB LEU B 40 2587 3174 2749 -145 -122 -184 C +ATOM 1694 CG LEU B 40 3.441 5.601 16.491 1.00 25.86 C +ANISOU 1694 CG LEU B 40 2968 3662 3196 -122 -144 -136 C +ATOM 1695 CD1 LEU B 40 3.570 4.516 15.441 1.00 28.39 C +ANISOU 1695 CD1 LEU B 40 3361 4018 3409 -140 -121 -108 C +ATOM 1696 CD2 LEU B 40 1.985 5.982 16.707 1.00 25.00 C +ANISOU 1696 CD2 LEU B 40 2786 3604 3108 -143 -166 -206 C +ATOM 1697 N CYS B 41 5.700 5.348 20.467 1.00 22.60 N +ANISOU 1697 N CYS B 41 2689 3041 2858 -152 -138 -224 N +ATOM 1698 CA CYS B 41 6.110 4.853 21.764 1.00 31.25 C +ANISOU 1698 CA CYS B 41 3871 4073 3929 -201 -149 -267 C +ATOM 1699 C CYS B 41 5.750 5.864 22.848 1.00 25.10 C +ANISOU 1699 C CYS B 41 3051 3276 3209 -215 -155 -315 C +ATOM 1700 O CYS B 41 5.292 5.491 23.944 1.00 23.28 O +ANISOU 1700 O CYS B 41 2881 3046 2918 -298 -143 -389 O +ATOM 1701 CB CYS B 41 7.612 4.610 21.759 1.00 30.86 C +ANISOU 1701 CB CYS B 41 3860 3943 3921 -153 -180 -211 C +ATOM 1702 SG CYS B 41 8.183 3.804 23.257 1.00 25.46 S +ANISOU 1702 SG CYS B 41 3315 3158 3202 -216 -228 -255 S +ATOM 1703 N ALA B 42 5.945 7.134 22.541 1.00 29.11 N +ANISOU 1703 N ALA B 42 3466 3768 3826 -143 -179 -276 N +ATOM 1704 CA ALA B 42 5.643 8.203 23.471 1.00 29.00 C +ANISOU 1704 CA ALA B 42 3410 3727 3880 -133 -197 -328 C +ATOM 1705 C ALA B 42 4.176 8.571 23.587 1.00 32.56 C +ANISOU 1705 C ALA B 42 3785 4262 4324 -146 -173 -428 C +ATOM 1706 O ALA B 42 3.819 9.319 24.485 1.00 25.87 O +ANISOU 1706 O ALA B 42 2906 3405 3519 -142 -177 -505 O +ATOM 1707 CB ALA B 42 6.458 9.437 23.121 1.00 23.58 C +ANISOU 1707 CB ALA B 42 2668 2975 3316 -54 -255 -246 C +ATOM 1708 N GLY B 43 3.321 8.072 22.705 1.00 26.77 N +ANISOU 1708 N GLY B 43 3016 3615 3541 -159 -150 -439 N +ATOM 1709 CA GLY B 43 1.909 8.434 22.759 1.00 27.17 C +ANISOU 1709 CA GLY B 43 2967 3755 3600 -165 -133 -542 C +ATOM 1710 C GLY B 43 1.646 9.743 22.066 1.00 29.67 C +ANISOU 1710 C GLY B 43 3176 4050 4045 -59 -204 -523 C +ATOM 1711 O GLY B 43 0.582 10.364 22.221 1.00 31.17 O +ANISOU 1711 O GLY B 43 3263 4291 4289 -28 -218 -624 O +ATOM 1712 N ALA B 44 2.634 10.193 21.298 1.00 22.03 N +ANISOU 1712 N ALA B 44 2231 3008 3131 -6 -258 -397 N +ATOM 1713 CA ALA B 44 2.520 11.485 20.629 1.00 26.18 C +ANISOU 1713 CA ALA B 44 2686 3490 3772 78 -352 -356 C +ATOM 1714 C ALA B 44 2.049 11.305 19.205 1.00 29.81 C +ANISOU 1714 C ALA B 44 3122 3994 4210 84 -382 -295 C +ATOM 1715 O ALA B 44 2.731 11.734 18.269 1.00 25.97 O +ANISOU 1715 O ALA B 44 2658 3464 3747 102 -435 -176 O +ATOM 1716 CB ALA B 44 3.842 12.185 20.643 1.00 23.30 C +ANISOU 1716 CB ALA B 44 2362 3022 3468 105 -403 -249 C +ATOM 1717 N ASP B 45 0.881 10.684 19.046 1.00 30.33 N +ANISOU 1717 N ASP B 45 3145 4152 4226 55 -350 -376 N +ATOM 1718 CA ASP B 45 0.398 10.232 17.751 1.00 26.89 C +ANISOU 1718 CA ASP B 45 2708 3765 3743 41 -368 -323 C +ATOM 1719 C ASP B 45 0.125 11.447 16.825 1.00 29.77 C +ANISOU 1719 C ASP B 45 3019 4079 4212 111 -497 -269 C +ATOM 1720 O ASP B 45 0.600 11.477 15.673 1.00 29.40 O +ANISOU 1720 O ASP B 45 3024 4011 4136 99 -535 -147 O +ATOM 1721 CB ASP B 45 -0.875 9.341 17.934 1.00 29.63 C +ANISOU 1721 CB ASP B 45 3013 4224 4020 -16 -315 -433 C +ATOM 1722 CG ASP B 45 -0.603 8.025 18.736 1.00 38.35 C +ANISOU 1722 CG ASP B 45 4207 5368 4997 -113 -210 -467 C +ATOM 1723 OD1 ASP B 45 0.154 8.017 19.722 1.00 44.84 O +ANISOU 1723 OD1 ASP B 45 5080 6142 5816 -126 -178 -478 O +ATOM 1724 OD2 ASP B 45 -1.184 6.970 18.403 1.00 47.32 O +ANISOU 1724 OD2 ASP B 45 5373 6576 6032 -185 -174 -483 O +ATOM 1725 N SER B 46 -0.630 12.441 17.327 1.00 29.71 N +ANISOU 1725 N SER B 46 2918 4050 4322 179 -570 -363 N +ATOM 1726 CA SER B 46 -0.963 13.640 16.549 1.00 33.85 C +ANISOU 1726 CA SER B 46 3402 4502 4959 252 -727 -324 C +ATOM 1727 C SER B 46 0.288 14.394 16.144 1.00 28.19 C +ANISOU 1727 C SER B 46 2768 3677 4268 254 -794 -176 C +ATOM 1728 O SER B 46 0.356 14.941 15.042 1.00 27.91 O +ANISOU 1728 O SER B 46 2762 3592 4249 254 -904 -71 O +ATOM 1729 CB SER B 46 -1.845 14.602 17.343 1.00 36.56 C +ANISOU 1729 CB SER B 46 3630 4824 5436 344 -801 -474 C +ATOM 1730 OG SER B 46 -3.061 13.994 17.707 1.00 51.69 O +ANISOU 1730 OG SER B 46 5443 6861 7334 335 -737 -623 O +ATOM 1731 N GLN B 47 1.268 14.454 17.046 1.00 27.14 N +ANISOU 1731 N GLN B 47 2674 3505 4134 245 -737 -166 N +ATOM 1732 CA GLN B 47 2.500 15.194 16.774 1.00 31.63 C +ANISOU 1732 CA GLN B 47 3307 3981 4732 235 -797 -30 C +ATOM 1733 C GLN B 47 3.273 14.472 15.678 1.00 30.09 C +ANISOU 1733 C GLN B 47 3179 3830 4425 159 -740 102 C +ATOM 1734 O GLN B 47 3.864 15.105 14.800 1.00 24.55 O +ANISOU 1734 O GLN B 47 2518 3085 3727 130 -815 228 O +ATOM 1735 CB GLN B 47 3.349 15.286 18.051 1.00 33.87 C +ANISOU 1735 CB GLN B 47 3612 4222 5036 237 -743 -59 C +ATOM 1736 CG GLN B 47 4.224 16.477 18.210 1.00 44.03 C +ANISOU 1736 CG GLN B 47 4929 5391 6408 255 -847 23 C +ATOM 1737 CD GLN B 47 5.180 16.362 19.425 1.00 47.14 C +ANISOU 1737 CD GLN B 47 5356 5750 6806 241 -785 8 C +ATOM 1738 OE1 GLN B 47 6.403 16.559 19.307 1.00 43.12 O +ANISOU 1738 OE1 GLN B 47 4891 5198 6295 201 -793 123 O +ATOM 1739 NE2 GLN B 47 4.616 16.034 20.587 1.00 45.96 N +ANISOU 1739 NE2 GLN B 47 5184 5624 6655 262 -725 -136 N +ATOM 1740 N GLY B 48 3.285 13.142 15.726 1.00 27.44 N +ANISOU 1740 N GLY B 48 2862 3582 3983 118 -611 68 N +ATOM 1741 CA GLY B 48 3.963 12.376 14.702 1.00 25.96 C +ANISOU 1741 CA GLY B 48 2732 3444 3687 60 -551 164 C +ATOM 1742 C GLY B 48 3.302 12.612 13.341 1.00 26.67 C +ANISOU 1742 C GLY B 48 2831 3552 3750 41 -628 225 C +ATOM 1743 O GLY B 48 3.981 12.734 12.317 1.00 22.46 O +ANISOU 1743 O GLY B 48 2349 3025 3161 -9 -638 340 O +ATOM 1744 N GLU B 49 1.980 12.613 13.336 1.00 24.87 N +ANISOU 1744 N GLU B 49 2555 3343 3553 72 -678 141 N +ATOM 1745 CA GLU B 49 1.205 12.866 12.119 1.00 33.51 C +ANISOU 1745 CA GLU B 49 3656 4440 4636 59 -778 188 C +ATOM 1746 C GLU B 49 1.531 14.196 11.493 1.00 35.45 C +ANISOU 1746 C GLU B 49 3930 4589 4949 60 -930 296 C +ATOM 1747 O GLU B 49 1.631 14.283 10.267 1.00 25.10 O +ANISOU 1747 O GLU B 49 2684 3278 3573 0 -984 403 O +ATOM 1748 CB GLU B 49 -0.293 12.790 12.409 1.00 34.89 C +ANISOU 1748 CB GLU B 49 3742 4646 4867 106 -823 61 C +ATOM 1749 CG GLU B 49 -0.734 11.341 12.724 1.00 42.29 C +ANISOU 1749 CG GLU B 49 4676 5692 5701 64 -687 -21 C +ATOM 1750 CD GLU B 49 -2.224 11.213 13.063 1.00 51.92 C +ANISOU 1750 CD GLU B 49 5789 6969 6968 89 -714 -155 C +ATOM 1751 OE1 GLU B 49 -2.948 12.231 12.946 1.00 58.80 O +ANISOU 1751 OE1 GLU B 49 6582 7797 7963 156 -847 -192 O +ATOM 1752 OE2 GLU B 49 -2.656 10.089 13.428 1.00 50.34 O +ANISOU 1752 OE2 GLU B 49 5585 6858 6683 37 -612 -225 O +ATOM 1753 N ALA B 50 1.711 15.232 12.316 1.00 32.95 N +ANISOU 1753 N ALA B 50 3581 4185 4755 117 -1007 271 N +ATOM 1754 CA ALA B 50 1.991 16.569 11.786 1.00 32.92 C +ANISOU 1754 CA ALA B 50 3620 4067 4821 112 -1182 375 C +ATOM 1755 C ALA B 50 3.410 16.558 11.224 1.00 31.32 C +ANISOU 1755 C ALA B 50 3500 3874 4525 10 -1127 527 C +ATOM 1756 O ALA B 50 3.680 17.128 10.180 1.00 34.88 O +ANISOU 1756 O ALA B 50 4023 4291 4940 -64 -1225 654 O +ATOM 1757 CB ALA B 50 1.801 17.656 12.862 1.00 32.59 C +ANISOU 1757 CB ALA B 50 3528 3921 4934 206 -1287 296 C +ATOM 1758 N TYR B 51 4.309 15.847 11.886 1.00 28.11 N +ANISOU 1758 N TYR B 51 3083 3524 4073 -4 -969 508 N +ATOM 1759 CA TYR B 51 5.637 15.681 11.349 1.00 25.65 C +ANISOU 1759 CA TYR B 51 2820 3251 3674 -94 -894 626 C +ATOM 1760 C TYR B 51 5.598 15.020 9.954 1.00 34.23 C +ANISOU 1760 C TYR B 51 3960 4426 4621 -175 -849 693 C +ATOM 1761 O TYR B 51 6.181 15.536 9.011 1.00 29.36 O +ANISOU 1761 O TYR B 51 3399 3809 3945 -269 -893 818 O +ATOM 1762 CB TYR B 51 6.474 14.857 12.298 1.00 27.61 C +ANISOU 1762 CB TYR B 51 3038 3546 3906 -77 -741 569 C +ATOM 1763 CG TYR B 51 7.809 14.498 11.709 1.00 31.46 C +ANISOU 1763 CG TYR B 51 3547 4101 4306 -156 -646 660 C +ATOM 1764 CD1 TYR B 51 8.824 15.431 11.637 1.00 37.74 C +ANISOU 1764 CD1 TYR B 51 4349 4858 5133 -215 -695 766 C +ATOM 1765 CD2 TYR B 51 8.044 13.232 11.229 1.00 24.08 C +ANISOU 1765 CD2 TYR B 51 2620 3270 3258 -174 -511 632 C +ATOM 1766 CE1 TYR B 51 10.042 15.107 11.092 1.00 41.99 C +ANISOU 1766 CE1 TYR B 51 4882 5482 5593 -293 -597 835 C +ATOM 1767 CE2 TYR B 51 9.245 12.895 10.664 1.00 30.48 C +ANISOU 1767 CE2 TYR B 51 3430 4156 3993 -235 -418 690 C +ATOM 1768 CZ TYR B 51 10.237 13.829 10.591 1.00 35.15 C +ANISOU 1768 CZ TYR B 51 4008 4729 4617 -296 -454 788 C +ATOM 1769 OH TYR B 51 11.447 13.482 10.062 1.00 37.19 O +ANISOU 1769 OH TYR B 51 4242 5085 4804 -360 -348 831 O +ATOM 1770 N ILE B 52 4.920 13.875 9.827 1.00 32.10 N +ANISOU 1770 N ILE B 52 3680 4231 4285 -152 -763 611 N +ATOM 1771 CA ILE B 52 4.851 13.173 8.544 1.00 29.98 C +ANISOU 1771 CA ILE B 52 3471 4042 3876 -223 -718 661 C +ATOM 1772 C ILE B 52 4.276 14.079 7.435 1.00 32.12 C +ANISOU 1772 C ILE B 52 3802 4261 4140 -280 -884 759 C +ATOM 1773 O ILE B 52 4.816 14.155 6.330 1.00 34.83 O +ANISOU 1773 O ILE B 52 4220 4642 4372 -385 -879 867 O +ATOM 1774 CB ILE B 52 4.035 11.869 8.685 1.00 25.73 C +ANISOU 1774 CB ILE B 52 2922 3571 3283 -185 -632 551 C +ATOM 1775 CG1 ILE B 52 4.779 10.925 9.644 1.00 26.71 C +ANISOU 1775 CG1 ILE B 52 3022 3735 3391 -153 -486 475 C +ATOM 1776 CG2 ILE B 52 3.828 11.254 7.319 1.00 28.86 C +ANISOU 1776 CG2 ILE B 52 3392 4033 3540 -255 -614 601 C +ATOM 1777 CD1 ILE B 52 3.965 9.676 10.114 1.00 30.62 C +ANISOU 1777 CD1 ILE B 52 3513 4275 3845 -122 -419 359 C +ATOM 1778 N ARG B 53 3.205 14.796 7.741 1.00 36.54 N +ANISOU 1778 N ARG B 53 6043 3751 4088 -785 -1377 366 N +ATOM 1779 CA ARG B 53 2.616 15.705 6.772 1.00 41.15 C +ANISOU 1779 CA ARG B 53 6802 4193 4640 -744 -1538 422 C +ATOM 1780 C ARG B 53 3.621 16.803 6.371 1.00 37.26 C +ANISOU 1780 C ARG B 53 6535 3584 4040 -951 -1643 558 C +ATOM 1781 O ARG B 53 3.761 17.109 5.204 1.00 38.15 O +ANISOU 1781 O ARG B 53 6736 3686 4071 -1042 -1718 661 O +ATOM 1782 CB ARG B 53 1.334 16.327 7.331 1.00 41.87 C +ANISOU 1782 CB ARG B 53 6961 4128 4819 -508 -1636 315 C +ATOM 1783 CG ARG B 53 0.505 17.105 6.290 1.00 52.79 C +ANISOU 1783 CG ARG B 53 8500 5374 6184 -418 -1807 347 C +ATOM 1784 CD ARG B 53 -0.827 17.571 6.878 1.00 52.76 C +ANISOU 1784 CD ARG B 53 8524 5250 6271 -157 -1895 212 C +ATOM 1785 NE ARG B 53 -1.433 16.597 7.791 1.00 62.93 N +ANISOU 1785 NE ARG B 53 9579 6679 7652 -18 -1754 77 N +ATOM 1786 CZ ARG B 53 -2.288 15.635 7.434 1.00 62.18 C +ANISOU 1786 CZ ARG B 53 9292 6721 7611 100 -1683 12 C +ATOM 1787 NH1 ARG B 53 -2.674 15.481 6.169 1.00 56.59 N +ANISOU 1787 NH1 ARG B 53 8588 6033 6879 113 -1737 59 N +ATOM 1788 NH2 ARG B 53 -2.769 14.813 8.361 1.00 61.18 N +ANISOU 1788 NH2 ARG B 53 8969 6715 7561 202 -1560 -99 N +ATOM 1789 N ALA B 54 4.332 17.370 7.337 1.00 41.05 N +ANISOU 1789 N ALA B 54 7103 3983 4513 -1034 -1647 562 N +ATOM 1790 CA ALA B 54 5.306 18.433 7.037 1.00 42.60 C +ANISOU 1790 CA ALA B 54 7515 4062 4608 -1246 -1751 693 C +ATOM 1791 C ALA B 54 6.455 17.927 6.123 1.00 40.87 C +ANISOU 1791 C ALA B 54 7227 4029 4271 -1490 -1673 813 C +ATOM 1792 O ALA B 54 7.072 18.703 5.399 1.00 40.07 O +ANISOU 1792 O ALA B 54 7291 3867 4066 -1672 -1767 945 O +ATOM 1793 CB ALA B 54 5.850 19.069 8.352 1.00 39.21 C +ANISOU 1793 CB ALA B 54 7177 3518 4204 -1280 -1765 659 C +ATOM 1794 N LEU B 55 6.692 16.613 6.098 1.00 43.31 N +ANISOU 1794 N LEU B 55 7292 4570 4593 -1489 -1509 765 N +ATOM 1795 CA LEU B 55 7.711 16.055 5.202 1.00 40.84 C +ANISOU 1795 CA LEU B 55 6892 4459 4168 -1692 -1436 855 C +ATOM 1796 C LEU B 55 7.402 16.315 3.715 1.00 43.91 C +ANISOU 1796 C LEU B 55 7355 4852 4475 -1731 -1526 953 C +ATOM 1797 O LEU B 55 8.298 16.267 2.875 1.00 45.57 O +ANISOU 1797 O LEU B 55 7561 5191 4561 -1930 -1510 1057 O +ATOM 1798 CB LEU B 55 7.874 14.563 5.409 1.00 35.56 C +ANISOU 1798 CB LEU B 55 5951 4023 3536 -1647 -1266 768 C +ATOM 1799 CG LEU B 55 8.517 14.110 6.729 1.00 38.11 C +ANISOU 1799 CG LEU B 55 6175 4401 3905 -1666 -1155 692 C +ATOM 1800 CD1 LEU B 55 8.593 12.597 6.748 1.00 33.61 C +ANISOU 1800 CD1 LEU B 55 5351 4053 3368 -1616 -1012 614 C +ATOM 1801 CD2 LEU B 55 9.898 14.698 6.917 1.00 36.08 C +ANISOU 1801 CD2 LEU B 55 6007 4156 3548 -1904 -1157 776 C +ATOM 1802 N LEU B 56 6.153 16.592 3.380 1.00 38.29 N +ANISOU 1802 N LEU B 56 6709 4014 3826 -1542 -1622 918 N +ATOM 1803 CA LEU B 56 5.850 16.938 1.998 1.00 39.47 C +ANISOU 1803 CA LEU B 56 6953 4147 3895 -1576 -1724 1014 C +ATOM 1804 C LEU B 56 6.237 18.377 1.642 1.00 46.06 C +ANISOU 1804 C LEU B 56 8076 4787 4637 -1729 -1892 1150 C +ATOM 1805 O LEU B 56 6.140 18.782 0.484 1.00 44.79 O +ANISOU 1805 O LEU B 56 8025 4605 4388 -1797 -1988 1254 O +ATOM 1806 CB LEU B 56 4.376 16.749 1.699 1.00 41.61 C +ANISOU 1806 CB LEU B 56 7198 4351 4260 -1320 -1779 928 C +ATOM 1807 CG LEU B 56 4.074 15.382 1.080 1.00 38.39 C +ANISOU 1807 CG LEU B 56 6544 4169 3872 -1248 -1661 874 C +ATOM 1808 CD1 LEU B 56 4.447 14.283 2.063 1.00 40.48 C +ANISOU 1808 CD1 LEU B 56 6587 4589 4206 -1228 -1491 774 C +ATOM 1809 CD2 LEU B 56 2.620 15.348 0.707 1.00 38.13 C +ANISOU 1809 CD2 LEU B 56 6509 4056 3923 -1011 -1736 801 C +ATOM 1810 N ASN B 57 6.651 19.148 2.636 1.00 49.12 N +ANISOU 1810 N ASN B 57 8593 5026 5046 -1781 -1936 1150 N +ATOM 1811 CA ASN B 57 6.963 20.565 2.424 1.00 53.70 C +ANISOU 1811 CA ASN B 57 9464 5386 5552 -1918 -2116 1272 C +ATOM 1812 C ASN B 57 5.925 21.259 1.534 1.00 51.99 C +ANISOU 1812 C ASN B 57 9426 4996 5330 -1803 -2296 1310 C +ATOM 1813 O ASN B 57 6.277 21.874 0.537 1.00 55.02 O +ANISOU 1813 O ASN B 57 9968 5341 5596 -1970 -2400 1457 O +ATOM 1814 CB ASN B 57 8.355 20.742 1.830 1.00 56.71 C +ANISOU 1814 CB ASN B 57 9881 5888 5777 -2241 -2090 1428 C +ATOM 1815 CG ASN B 57 8.826 22.203 1.871 1.00 71.76 C +ANISOU 1815 CG ASN B 57 12089 7561 7615 -2413 -2269 1555 C +ATOM 1816 OD1 ASN B 57 9.267 22.747 0.863 1.00 70.73 O +ANISOU 1816 OD1 ASN B 57 12085 7430 7358 -2606 -2351 1702 O +ATOM 1817 ND2 ASN B 57 8.711 22.846 3.044 1.00 69.70 N +ANISOU 1817 ND2 ASN B 57 11939 7103 7442 -2337 -2333 1489 N +ATOM 1818 N ASN B 58 4.655 21.110 1.920 1.00 49.77 N +ANISOU 1818 N ASN B 58 9106 4629 5175 -1518 -2327 1171 N +ATOM 1819 CA ASN B 58 3.478 21.703 1.259 1.00 52.75 C +ANISOU 1819 CA ASN B 58 9630 4837 5577 -1345 -2498 1162 C +ATOM 1820 C ASN B 58 3.183 21.314 -0.199 1.00 56.97 C +ANISOU 1820 C ASN B 58 10130 5479 6037 -1364 -2512 1235 C +ATOM 1821 O ASN B 58 2.286 21.889 -0.821 1.00 54.59 O +ANISOU 1821 O ASN B 58 9974 5027 5741 -1239 -2670 1241 O +ATOM 1822 CB ASN B 58 3.498 23.237 1.412 1.00 57.98 C +ANISOU 1822 CB ASN B 58 10622 5197 6210 -1389 -2726 1232 C +ATOM 1823 CG ASN B 58 3.539 23.674 2.885 1.00 71.34 C +ANISOU 1823 CG ASN B 58 12356 6759 7993 -1309 -2738 1129 C +ATOM 1824 OD1 ASN B 58 4.610 23.952 3.451 1.00 73.93 O +ANISOU 1824 OD1 ASN B 58 12727 7083 8280 -1501 -2705 1188 O +ATOM 1825 ND2 ASN B 58 2.369 23.713 3.513 1.00 70.56 N +ANISOU 1825 ND2 ASN B 58 12229 6567 8013 -1021 -2783 969 N +ATOM 1826 N LYS B 59 3.888 20.328 -0.747 1.00 58.91 N +ANISOU 1826 N LYS B 59 10181 5986 6215 -1501 -2354 1279 N +ATOM 1827 CA LYS B 59 3.552 19.850 -2.098 1.00 54.93 C +ANISOU 1827 CA LYS B 59 9619 5606 5647 -1494 -2356 1328 C +ATOM 1828 C LYS B 59 2.169 19.184 -2.087 1.00 47.41 C +ANISOU 1828 C LYS B 59 8526 4664 4823 -1194 -2340 1176 C +ATOM 1829 O LYS B 59 1.796 18.533 -1.094 1.00 48.52 O +ANISOU 1829 O LYS B 59 8498 4853 5083 -1047 -2234 1035 O +ATOM 1830 CB LYS B 59 4.607 18.869 -2.608 1.00 53.31 C +ANISOU 1830 CB LYS B 59 9214 5697 5345 -1685 -2188 1383 C +ATOM 1831 CG LYS B 59 5.980 19.484 -2.788 1.00 54.90 C +ANISOU 1831 CG LYS B 59 9533 5926 5399 -1997 -2200 1538 C +ATOM 1832 CD LYS B 59 6.910 18.558 -3.556 1.00 63.07 C +ANISOU 1832 CD LYS B 59 10373 7273 6316 -2169 -2057 1591 C +ATOM 1833 CE LYS B 59 7.379 17.366 -2.720 1.00 66.81 C +ANISOU 1833 CE LYS B 59 10576 7951 6858 -2136 -1861 1469 C +ATOM 1834 NZ LYS B 59 8.456 17.793 -1.795 1.00 69.63 N +ANISOU 1834 NZ LYS B 59 10981 8288 7189 -2313 -1826 1500 N +ATOM 1835 N LYS B 60 1.425 19.339 -3.183 1.00 51.39 N +ANISOU 1835 N LYS B 60 9098 5131 5297 -1112 -2445 1207 N +ATOM 1836 CA LYS B 60 0.047 18.822 -3.276 1.00 57.96 C +ANISOU 1836 CA LYS B 60 9815 5961 6245 -829 -2454 1068 C +ATOM 1837 C LYS B 60 -0.187 17.931 -4.492 1.00 49.55 C +ANISOU 1837 C LYS B 60 8604 5087 5136 -814 -2400 1085 C +ATOM 1838 O LYS B 60 -1.321 17.530 -4.763 1.00 59.13 O +ANISOU 1838 O LYS B 60 9734 6302 6432 -596 -2422 985 O +ATOM 1839 CB LYS B 60 -0.956 19.978 -3.357 1.00 64.18 C +ANISOU 1839 CB LYS B 60 10844 6475 7067 -667 -2674 1048 C +ATOM 1840 CG LYS B 60 -1.036 20.846 -2.106 1.00 74.85 C +ANISOU 1840 CG LYS B 60 12333 7621 8487 -605 -2751 987 C +ATOM 1841 CD LYS B 60 -1.537 20.043 -0.899 1.00 78.89 C +ANISOU 1841 CD LYS B 60 12613 8222 9139 -426 -2608 808 C +ATOM 1842 CE LYS B 60 -1.871 20.954 0.280 1.00 82.12 C +ANISOU 1842 CE LYS B 60 13160 8422 9620 -309 -2709 723 C +ATOM 1843 NZ LYS B 60 -0.671 21.645 0.825 1.00 84.06 N +ANISOU 1843 NZ LYS B 60 13555 8582 9801 -529 -2726 822 N +ATOM 1844 N ASP B 61 0.873 17.646 -5.239 1.00 44.89 N +ANISOU 1844 N ASP B 61 7982 4661 4413 -1042 -2337 1208 N +ATOM 1845 CA ASP B 61 0.758 16.912 -6.493 1.00 45.20 C +ANISOU 1845 CA ASP B 61 7906 4882 4386 -1046 -2304 1238 C +ATOM 1846 C ASP B 61 0.521 15.437 -6.178 1.00 46.58 C +ANISOU 1846 C ASP B 61 7770 5270 4660 -926 -2130 1101 C +ATOM 1847 O ASP B 61 0.801 14.959 -5.093 1.00 40.92 O +ANISOU 1847 O ASP B 61 6929 4599 4021 -916 -2016 1022 O +ATOM 1848 CB ASP B 61 2.055 17.044 -7.281 1.00 46.02 C +ANISOU 1848 CB ASP B 61 8054 5125 4308 -1336 -2279 1401 C +ATOM 1849 CG ASP B 61 3.217 16.397 -6.564 1.00 49.10 C +ANISOU 1849 CG ASP B 61 8280 5696 4681 -1490 -2109 1389 C +ATOM 1850 OD1 ASP B 61 3.831 17.102 -5.747 1.00 48.96 O +ANISOU 1850 OD1 ASP B 61 8381 5566 4654 -1607 -2127 1428 O +ATOM 1851 OD2 ASP B 61 3.483 15.181 -6.767 1.00 48.49 O +ANISOU 1851 OD2 ASP B 61 7956 5861 4605 -1480 -1966 1329 O +ATOM 1852 N GLU B 62 0.036 14.719 -7.166 1.00 41.91 N +ANISOU 1852 N GLU B 62 7060 4807 4056 -845 -2117 1080 N +ATOM 1853 CA GLU B 62 -0.439 13.367 -6.994 1.00 40.11 C +ANISOU 1853 CA GLU B 62 6561 4745 3933 -700 -1991 946 C +ATOM 1854 C GLU B 62 0.608 12.418 -6.397 1.00 38.59 C +ANISOU 1854 C GLU B 62 6174 4752 3734 -823 -1818 921 C +ATOM 1855 O GLU B 62 0.325 11.663 -5.452 1.00 37.14 O +ANISOU 1855 O GLU B 62 5830 4608 3676 -718 -1721 802 O +ATOM 1856 CB GLU B 62 -0.914 12.877 -8.356 1.00 40.36 C +ANISOU 1856 CB GLU B 62 6531 4887 3918 -639 -2026 959 C +ATOM 1857 CG GLU B 62 -1.292 11.438 -8.345 1.00 38.66 C +ANISOU 1857 CG GLU B 62 6039 4855 3793 -516 -1906 836 C +ATOM 1858 CD GLU B 62 -1.914 11.008 -9.634 1.00 38.98 C +ANISOU 1858 CD GLU B 62 6026 4979 3805 -425 -1957 832 C +ATOM 1859 OE1 GLU B 62 -2.289 9.824 -9.709 1.00 37.70 O +ANISOU 1859 OE1 GLU B 62 5645 4959 3721 -318 -1877 731 O +ATOM 1860 OE2 GLU B 62 -2.054 11.841 -10.549 1.00 40.54 O +ANISOU 1860 OE2 GLU B 62 6406 5093 3906 -456 -2084 928 O +ATOM 1861 N GLN B 63 1.826 12.485 -6.937 1.00 39.03 N +ANISOU 1861 N GLN B 63 6250 4939 3641 -1050 -1786 1034 N +ATOM 1862 CA GLN B 63 2.915 11.615 -6.500 1.00 41.88 C +ANISOU 1862 CA GLN B 63 6433 5506 3975 -1174 -1636 1012 C +ATOM 1863 C GLN B 63 3.323 11.877 -5.051 1.00 39.43 C +ANISOU 1863 C GLN B 63 6144 5104 3735 -1209 -1582 974 C +ATOM 1864 O GLN B 63 3.609 10.942 -4.317 1.00 36.17 O +ANISOU 1864 O GLN B 63 5549 4806 3389 -1185 -1460 885 O +ATOM 1865 CB GLN B 63 4.126 11.749 -7.418 1.00 52.11 C +ANISOU 1865 CB GLN B 63 7751 6970 5079 -1413 -1623 1139 C +ATOM 1866 CG GLN B 63 3.855 11.309 -8.858 1.00 61.95 C +ANISOU 1866 CG GLN B 63 8939 8360 6242 -1386 -1655 1166 C +ATOM 1867 CD GLN B 63 3.354 12.455 -9.754 1.00 69.86 C +ANISOU 1867 CD GLN B 63 10180 9200 7162 -1403 -1816 1283 C +ATOM 1868 OE1 GLN B 63 3.166 13.597 -9.305 1.00 60.13 O +ANISOU 1868 OE1 GLN B 63 9168 7735 5944 -1428 -1918 1340 O +ATOM 1869 NE2 GLN B 63 3.151 12.151 -11.034 1.00 81.34 N +ANISOU 1869 NE2 GLN B 63 11598 10776 8529 -1389 -1850 1317 N +ATOM 1870 N SER B 64 3.331 13.142 -4.648 1.00 41.46 N +ANISOU 1870 N SER B 64 6630 5147 3977 -1261 -1683 1041 N +ATOM 1871 CA SER B 64 3.643 13.514 -3.273 1.00 38.08 C +ANISOU 1871 CA SER B 64 6244 4609 3616 -1280 -1652 1004 C +ATOM 1872 C SER B 64 2.520 13.057 -2.353 1.00 38.36 C +ANISOU 1872 C SER B 64 6179 4569 3825 -1036 -1623 852 C +ATOM 1873 O SER B 64 2.791 12.533 -1.263 1.00 36.12 O +ANISOU 1873 O SER B 64 5780 4331 3614 -1022 -1517 775 O +ATOM 1874 CB SER B 64 3.846 15.030 -3.137 1.00 45.32 C +ANISOU 1874 CB SER B 64 7446 5299 4476 -1382 -1793 1109 C +ATOM 1875 OG SER B 64 4.999 15.438 -3.836 1.00 45.57 O +ANISOU 1875 OG SER B 64 7560 5413 4341 -1640 -1805 1255 O +ATOM 1876 N ARG B 65 1.272 13.238 -2.800 1.00 37.46 N +ANISOU 1876 N ARG B 65 6106 4356 3773 -850 -1716 810 N +ATOM 1877 CA ARG B 65 0.112 12.789 -2.025 1.00 36.59 C +ANISOU 1877 CA ARG B 65 5886 4198 3819 -617 -1691 664 C +ATOM 1878 C ARG B 65 0.100 11.279 -1.836 1.00 35.10 C +ANISOU 1878 C ARG B 65 5423 4219 3695 -569 -1540 573 C +ATOM 1879 O ARG B 65 -0.288 10.804 -0.773 1.00 33.79 O +ANISOU 1879 O ARG B 65 5146 4053 3638 -468 -1468 470 O +ATOM 1880 CB ARG B 65 -1.198 13.266 -2.645 1.00 37.60 C +ANISOU 1880 CB ARG B 65 6102 4197 3988 -430 -1826 632 C +ATOM 1881 CG ARG B 65 -1.325 14.816 -2.519 1.00 52.11 C +ANISOU 1881 CG ARG B 65 8226 5783 5790 -438 -1995 693 C +ATOM 1882 CD ARG B 65 -2.728 15.363 -2.743 1.00 41.79 C +ANISOU 1882 CD ARG B 65 7008 4318 4553 -208 -2136 621 C +ATOM 1883 NE ARG B 65 -3.232 15.197 -4.120 1.00 42.11 N +ANISOU 1883 NE ARG B 65 7053 4399 4547 -163 -2205 659 N +ATOM 1884 CZ ARG B 65 -4.143 14.290 -4.493 1.00 47.83 C +ANISOU 1884 CZ ARG B 65 7595 5232 5347 1 -2164 562 C +ATOM 1885 NH1 ARG B 65 -4.535 14.241 -5.766 1.00 45.12 N +ANISOU 1885 NH1 ARG B 65 7278 4914 4951 33 -2239 604 N +ATOM 1886 NH2 ARG B 65 -4.649 13.405 -3.612 1.00 41.81 N +ANISOU 1886 NH2 ARG B 65 6620 4558 4708 124 -2047 428 N +ATOM 1887 N ASN B 66 0.526 10.525 -2.844 1.00 37.63 N +ANISOU 1887 N ASN B 66 5636 4716 3944 -640 -1500 611 N +ATOM 1888 CA ASN B 66 0.609 9.068 -2.703 1.00 37.89 C +ANISOU 1888 CA ASN B 66 5420 4944 4034 -604 -1373 527 C +ATOM 1889 C ASN B 66 1.730 8.680 -1.732 1.00 37.01 C +ANISOU 1889 C ASN B 66 5237 4915 3911 -735 -1259 519 C +ATOM 1890 O ASN B 66 1.597 7.715 -0.988 1.00 30.86 O +ANISOU 1890 O ASN B 66 4292 4211 3223 -670 -1166 426 O +ATOM 1891 CB ASN B 66 0.807 8.366 -4.052 1.00 32.79 C +ANISOU 1891 CB ASN B 66 4679 4471 3310 -637 -1371 558 C +ATOM 1892 CG ASN B 66 -0.467 8.298 -4.892 1.00 35.61 C +ANISOU 1892 CG ASN B 66 5029 4784 3715 -462 -1455 523 C +ATOM 1893 OD1 ASN B 66 -1.593 8.357 -4.384 1.00 33.12 O +ANISOU 1893 OD1 ASN B 66 4703 4359 3521 -289 -1484 439 O +ATOM 1894 ND2 ASN B 66 -0.287 8.134 -6.195 1.00 36.94 N +ANISOU 1894 ND2 ASN B 66 5192 5056 3786 -505 -1493 580 N +ATOM 1895 N ALA B 67 2.821 9.444 -1.717 1.00 32.62 N +ANISOU 1895 N ALA B 67 4809 4342 3243 -923 -1272 618 N +ATOM 1896 CA ALA B 67 3.890 9.208 -0.762 1.00 33.01 C +ANISOU 1896 CA ALA B 67 4808 4454 3278 -1046 -1175 609 C +ATOM 1897 C ALA B 67 3.375 9.361 0.682 1.00 36.98 C +ANISOU 1897 C ALA B 67 5320 4825 3908 -938 -1150 525 C +ATOM 1898 O ALA B 67 3.723 8.578 1.575 1.00 31.67 O +ANISOU 1898 O ALA B 67 4513 4232 3288 -938 -1046 457 O +ATOM 1899 CB ALA B 67 5.056 10.174 -1.009 1.00 35.91 C +ANISOU 1899 CB ALA B 67 5334 4807 3503 -1270 -1212 735 C +ATOM 1900 N LEU B 68 2.541 10.375 0.885 1.00 33.65 N +ANISOU 1900 N LEU B 68 5056 4202 3526 -842 -1252 527 N +ATOM 1901 CA LEU B 68 1.943 10.663 2.184 1.00 34.31 C +ANISOU 1901 CA LEU B 68 5160 4157 3719 -722 -1245 443 C +ATOM 1902 C LEU B 68 0.993 9.552 2.607 1.00 34.12 C +ANISOU 1902 C LEU B 68 4935 4211 3817 -549 -1170 320 C +ATOM 1903 O LEU B 68 0.973 9.160 3.776 1.00 35.69 O +ANISOU 1903 O LEU B 68 5052 4422 4088 -512 -1091 248 O +ATOM 1904 CB LEU B 68 1.181 11.996 2.127 1.00 37.01 C +ANISOU 1904 CB LEU B 68 5717 4275 4069 -636 -1395 461 C +ATOM 1905 CG LEU B 68 0.556 12.470 3.440 1.00 39.39 C +ANISOU 1905 CG LEU B 68 6059 4440 4467 -503 -1408 369 C +ATOM 1906 CD1 LEU B 68 1.642 12.583 4.512 1.00 44.25 C +ANISOU 1906 CD1 LEU B 68 6688 5060 5063 -637 -1335 381 C +ATOM 1907 CD2 LEU B 68 -0.197 13.780 3.265 1.00 42.15 C +ANISOU 1907 CD2 LEU B 68 6625 4571 4819 -404 -1578 378 C +ATOM 1908 N LEU B 69 0.204 9.047 1.655 1.00 31.35 N +ANISOU 1908 N LEU B 69 4507 3916 3488 -450 -1199 301 N +ATOM 1909 CA LEU B 69 -0.719 7.952 1.936 1.00 35.92 C +ANISOU 1909 CA LEU B 69 4891 4577 4180 -300 -1136 193 C +ATOM 1910 C LEU B 69 0.091 6.766 2.382 1.00 35.20 C +ANISOU 1910 C LEU B 69 4631 4648 4096 -387 -1010 169 C +ATOM 1911 O LEU B 69 -0.277 6.068 3.349 1.00 29.35 O +ANISOU 1911 O LEU B 69 3766 3938 3446 -318 -935 87 O +ATOM 1912 CB LEU B 69 -1.587 7.592 0.725 1.00 33.26 C +ANISOU 1912 CB LEU B 69 4501 4280 3855 -197 -1194 183 C +ATOM 1913 CG LEU B 69 -2.751 8.559 0.481 1.00 39.10 C +ANISOU 1913 CG LEU B 69 5369 4861 4628 -47 -1318 162 C +ATOM 1914 CD1 LEU B 69 -3.647 8.080 -0.656 1.00 49.27 C +ANISOU 1914 CD1 LEU B 69 6581 6202 5938 66 -1367 138 C +ATOM 1915 CD2 LEU B 69 -3.583 8.744 1.752 1.00 41.82 C +ANISOU 1915 CD2 LEU B 69 5686 5125 5078 91 -1301 58 C +ATOM 1916 N SER B 70 1.219 6.551 1.709 1.00 29.03 N +ANISOU 1916 N SER B 70 3846 3975 3211 -541 -990 239 N +ATOM 1917 CA SER B 70 2.052 5.417 2.060 1.00 34.40 C +ANISOU 1917 CA SER B 70 4368 4813 3888 -617 -886 209 C +ATOM 1918 C SER B 70 2.647 5.571 3.478 1.00 32.21 C +ANISOU 1918 C SER B 70 4109 4494 3634 -673 -818 187 C +ATOM 1919 O SER B 70 2.657 4.619 4.284 1.00 29.18 O +ANISOU 1919 O SER B 70 3590 4179 3319 -643 -737 117 O +ATOM 1920 CB SER B 70 3.153 5.213 1.035 1.00 33.42 C +ANISOU 1920 CB SER B 70 4232 4831 3636 -763 -884 277 C +ATOM 1921 OG SER B 70 4.119 4.311 1.548 1.00 42.21 O +ANISOU 1921 OG SER B 70 5220 6080 4736 -844 -793 243 O +ATOM 1922 N MET B 71 3.122 6.766 3.798 1.00 33.57 N +ANISOU 1922 N MET B 71 4455 4549 3750 -755 -860 246 N +ATOM 1923 CA MET B 71 3.673 7.037 5.124 1.00 27.19 C +ANISOU 1923 CA MET B 71 3681 3689 2960 -805 -808 226 C +ATOM 1924 C MET B 71 2.612 6.875 6.216 1.00 29.26 C +ANISOU 1924 C MET B 71 3894 3877 3345 -644 -783 132 C +ATOM 1925 O MET B 71 2.865 6.255 7.272 1.00 28.21 O +ANISOU 1925 O MET B 71 3670 3790 3258 -647 -696 78 O +ATOM 1926 CB MET B 71 4.343 8.416 5.180 1.00 28.38 C +ANISOU 1926 CB MET B 71 4040 3716 3028 -924 -875 311 C +ATOM 1927 CG MET B 71 5.682 8.479 4.438 1.00 28.69 C +ANISOU 1927 CG MET B 71 4102 3867 2933 -1128 -867 401 C +ATOM 1928 SD MET B 71 6.583 10.012 4.650 1.00 33.97 S +ANISOU 1928 SD MET B 71 5005 4398 3504 -1302 -939 506 S +ATOM 1929 CE MET B 71 5.453 11.221 3.926 1.00 39.56 C +ANISOU 1929 CE MET B 71 5914 4899 4217 -1206 -1099 558 C +ATOM 1930 N PHE B 72 1.423 7.420 5.981 1.00 30.11 N +ANISOU 1930 N PHE B 72 4059 3879 3503 -504 -859 109 N +ATOM 1931 CA PHE B 72 0.320 7.248 6.936 1.00 32.04 C +ANISOU 1931 CA PHE B 72 4237 4081 3855 -343 -836 11 C +ATOM 1932 C PHE B 72 -0.095 5.777 7.103 1.00 26.37 C +ANISOU 1932 C PHE B 72 3301 3506 3210 -289 -746 -55 C +ATOM 1933 O PHE B 72 -0.507 5.373 8.182 1.00 29.47 O +ANISOU 1933 O PHE B 72 3612 3913 3672 -229 -684 -123 O +ATOM 1934 CB PHE B 72 -0.899 8.108 6.552 1.00 29.51 C +ANISOU 1934 CB PHE B 72 4010 3635 3567 -192 -946 -13 C +ATOM 1935 CG PHE B 72 -0.767 9.580 6.909 1.00 37.22 C +ANISOU 1935 CG PHE B 72 5203 4432 4506 -197 -1041 16 C +ATOM 1936 CD1 PHE B 72 0.046 10.004 7.944 1.00 33.11 C +ANISOU 1936 CD1 PHE B 72 4750 3865 3965 -282 -1008 23 C +ATOM 1937 CD2 PHE B 72 -1.489 10.531 6.214 1.00 39.14 C +ANISOU 1937 CD2 PHE B 72 5586 4547 4738 -108 -1176 29 C +ATOM 1938 CE1 PHE B 72 0.154 11.354 8.281 1.00 36.19 C +ANISOU 1938 CE1 PHE B 72 5345 4081 4326 -283 -1109 45 C +ATOM 1939 CE2 PHE B 72 -1.389 11.871 6.541 1.00 42.93 C +ANISOU 1939 CE2 PHE B 72 6276 4849 5188 -107 -1283 51 C +ATOM 1940 CZ PHE B 72 -0.554 12.289 7.575 1.00 36.36 C +ANISOU 1940 CZ PHE B 72 5510 3967 4337 -197 -1251 60 C +ATOM 1941 N SER B 73 -0.001 4.977 6.041 1.00 28.89 N +ANISOU 1941 N SER B 73 3530 3934 3512 -313 -746 -35 N +ATOM 1942 CA SER B 73 -0.390 3.581 6.122 1.00 29.21 C +ANISOU 1942 CA SER B 73 3377 4097 3623 -266 -681 -94 C +ATOM 1943 C SER B 73 0.582 2.852 7.046 1.00 24.65 C +ANISOU 1943 C SER B 73 2728 3595 3041 -365 -589 -106 C +ATOM 1944 O SER B 73 0.156 2.151 7.971 1.00 29.71 O +ANISOU 1944 O SER B 73 3266 4264 3757 -317 -529 -166 O +ATOM 1945 CB SER B 73 -0.456 2.950 4.730 1.00 34.67 C +ANISOU 1945 CB SER B 73 4000 4881 4292 -264 -718 -74 C +ATOM 1946 OG SER B 73 -0.244 1.556 4.818 1.00 39.18 O +ANISOU 1946 OG SER B 73 4405 5582 4901 -280 -656 -113 O +ATOM 1947 N VAL B 74 1.886 3.101 6.859 1.00 28.97 N +ANISOU 1947 N VAL B 74 3340 4172 3495 -507 -581 -49 N +ATOM 1948 CA VAL B 74 2.916 2.597 7.764 1.00 27.11 C +ANISOU 1948 CA VAL B 74 3061 3995 3243 -603 -504 -62 C +ATOM 1949 C VAL B 74 2.784 3.098 9.222 1.00 28.75 C +ANISOU 1949 C VAL B 74 3323 4111 3492 -581 -466 -93 C +ATOM 1950 O VAL B 74 2.929 2.326 10.160 1.00 26.83 O +ANISOU 1950 O VAL B 74 2990 3914 3290 -583 -396 -138 O +ATOM 1951 CB VAL B 74 4.312 2.913 7.247 1.00 23.46 C +ANISOU 1951 CB VAL B 74 2662 3589 2664 -759 -510 1 C +ATOM 1952 CG1 VAL B 74 5.318 2.642 8.293 1.00 22.85 C +ANISOU 1952 CG1 VAL B 74 2566 3547 2570 -847 -441 -17 C +ATOM 1953 CG2 VAL B 74 4.600 2.078 5.978 1.00 29.34 C +ANISOU 1953 CG2 VAL B 74 3307 4477 3364 -784 -526 10 C +ATOM 1954 N PHE B 75 2.542 4.393 9.413 1.00 25.42 N +ANISOU 1954 N PHE B 75 3051 3555 3053 -559 -518 -70 N +ATOM 1955 CA PHE B 75 2.322 4.923 10.738 1.00 24.33 C +ANISOU 1955 CA PHE B 75 2963 3330 2951 -517 -494 -110 C +ATOM 1956 C PHE B 75 1.125 4.226 11.409 1.00 23.97 C +ANISOU 1956 C PHE B 75 2788 3313 3004 -381 -451 -191 C +ATOM 1957 O PHE B 75 1.180 3.845 12.567 1.00 24.96 O +ANISOU 1957 O PHE B 75 2861 3462 3162 -377 -383 -233 O +ATOM 1958 CB PHE B 75 2.074 6.424 10.627 1.00 30.22 C +ANISOU 1958 CB PHE B 75 3894 3920 3667 -488 -587 -81 C +ATOM 1959 CG PHE B 75 2.079 7.144 11.926 1.00 25.93 C +ANISOU 1959 CG PHE B 75 3430 3281 3141 -460 -578 -118 C +ATOM 1960 CD1 PHE B 75 3.266 7.394 12.579 1.00 25.73 C +ANISOU 1960 CD1 PHE B 75 3464 3246 3066 -586 -545 -91 C +ATOM 1961 CD2 PHE B 75 0.896 7.630 12.474 1.00 26.56 C +ANISOU 1961 CD2 PHE B 75 3525 3284 3282 -301 -610 -186 C +ATOM 1962 CE1 PHE B 75 3.291 8.123 13.770 1.00 27.92 C +ANISOU 1962 CE1 PHE B 75 3825 3429 3356 -556 -546 -127 C +ATOM 1963 CE2 PHE B 75 0.928 8.352 13.686 1.00 29.97 C +ANISOU 1963 CE2 PHE B 75 4034 3632 3721 -267 -610 -228 C +ATOM 1964 CZ PHE B 75 2.131 8.600 14.315 1.00 28.21 C +ANISOU 1964 CZ PHE B 75 3878 3390 3450 -395 -579 -196 C +ATOM 1965 N SER B 76 0.042 4.050 10.683 1.00 25.05 N +ANISOU 1965 N SER B 76 2873 3458 3185 -275 -492 -211 N +ATOM 1966 CA SER B 76 -1.117 3.415 11.249 1.00 24.87 C +ANISOU 1966 CA SER B 76 2722 3476 3250 -159 -455 -285 C +ATOM 1967 C SER B 76 -0.918 1.894 11.545 1.00 34.17 C +ANISOU 1967 C SER B 76 3734 4783 4466 -205 -374 -303 C +ATOM 1968 O SER B 76 -1.408 1.390 12.563 1.00 26.18 O +ANISOU 1968 O SER B 76 2636 3806 3507 -169 -315 -351 O +ATOM 1969 CB SER B 76 -2.305 3.598 10.316 1.00 32.77 C +ANISOU 1969 CB SER B 76 3705 4460 4287 -37 -526 -305 C +ATOM 1970 OG SER B 76 -3.334 2.734 10.732 1.00 37.72 O +ANISOU 1970 OG SER B 76 4175 5163 4995 49 -481 -370 O +ATOM 1971 N ILE B 77 -0.215 1.176 10.676 1.00 30.15 N +ANISOU 1971 N ILE B 77 3182 4347 3927 -283 -380 -267 N +ATOM 1972 CA ILE B 77 0.138 -0.209 10.948 1.00 29.84 C +ANISOU 1972 CA ILE B 77 3010 4412 3916 -332 -325 -286 C +ATOM 1973 C ILE B 77 1.009 -0.317 12.204 1.00 26.95 C +ANISOU 1973 C ILE B 77 2663 4048 3530 -410 -259 -291 C +ATOM 1974 O ILE B 77 0.775 -1.174 13.079 1.00 27.76 O +ANISOU 1974 O ILE B 77 2673 4194 3682 -405 -205 -325 O +ATOM 1975 CB ILE B 77 0.844 -0.849 9.750 1.00 32.55 C +ANISOU 1975 CB ILE B 77 3315 4835 4217 -393 -357 -257 C +ATOM 1976 CG1 ILE B 77 -0.167 -1.068 8.629 1.00 32.67 C +ANISOU 1976 CG1 ILE B 77 3277 4867 4271 -302 -415 -265 C +ATOM 1977 CG2 ILE B 77 1.455 -2.196 10.112 1.00 34.24 C +ANISOU 1977 CG2 ILE B 77 3419 5144 4448 -450 -316 -281 C +ATOM 1978 CD1 ILE B 77 0.465 -1.224 7.228 1.00 30.22 C +ANISOU 1978 CD1 ILE B 77 2971 4618 3894 -348 -467 -229 C +ATOM 1979 N SER B 78 1.967 0.582 12.325 1.00 27.08 N +ANISOU 1979 N SER B 78 4091 3416 2781 79 -454 -805 N +ATOM 1980 CA SER B 78 2.834 0.620 13.484 1.00 24.69 C +ANISOU 1980 CA SER B 78 3776 3076 2529 131 -384 -542 C +ATOM 1981 C SER B 78 2.108 0.950 14.779 1.00 24.97 C +ANISOU 1981 C SER B 78 3780 3121 2585 113 -404 -334 C +ATOM 1982 O SER B 78 2.395 0.376 15.823 1.00 23.09 O +ANISOU 1982 O SER B 78 3491 2765 2516 108 -333 -147 O +ATOM 1983 CB SER B 78 3.946 1.619 13.240 1.00 27.92 C +ANISOU 1983 CB SER B 78 4280 3649 2678 179 -409 -464 C +ATOM 1984 OG SER B 78 4.823 1.176 12.232 1.00 33.15 O +ANISOU 1984 OG SER B 78 4942 4310 3343 199 -345 -626 O +ATOM 1985 N AGLN B 79 1.221 1.927 14.702 0.53 22.84 N +ANISOU 1985 N AGLN B 79 3545 3003 2130 104 -508 -367 N +ATOM 1986 N BGLN B 79 1.193 1.918 14.715 0.47 22.79 N +ANISOU 1986 N BGLN B 79 3537 2996 2127 103 -508 -367 N +ATOM 1987 CA AGLN B 79 0.387 2.320 15.810 0.53 22.84 C +ANISOU 1987 CA AGLN B 79 3504 3049 2123 97 -521 -224 C +ATOM 1988 CA BGLN B 79 0.382 2.307 15.862 0.47 23.02 C +ANISOU 1988 CA BGLN B 79 3525 3070 2151 96 -518 -216 C +ATOM 1989 C AGLN B 79 -0.375 1.108 16.363 0.53 22.68 C +ANISOU 1989 C AGLN B 79 3345 2881 2389 18 -439 -209 C +ATOM 1990 C BGLN B 79 -0.403 1.103 16.385 0.47 22.69 C +ANISOU 1990 C BGLN B 79 3344 2883 2393 16 -439 -207 C +ATOM 1991 O AGLN B 79 -0.369 0.856 17.561 0.53 22.71 O +ANISOU 1991 O AGLN B 79 3307 2845 2475 -7 -373 -6 O +ATOM 1992 O BGLN B 79 -0.451 0.855 17.584 0.47 24.81 O +ANISOU 1992 O BGLN B 79 3567 3114 2744 -11 -373 -8 O +ATOM 1993 CB AGLN B 79 -0.567 3.381 15.309 0.53 20.73 C +ANISOU 1993 CB AGLN B 79 3270 2944 1663 111 -658 -346 C +ATOM 1994 CB BGLN B 79 -0.575 3.445 15.495 0.47 24.15 C +ANISOU 1994 CB BGLN B 79 3703 3383 2091 116 -654 -316 C +ATOM 1995 CG AGLN B 79 -1.369 4.087 16.343 0.53 26.12 C +ANISOU 1995 CG AGLN B 79 3922 3723 2279 139 -684 -235 C +ATOM 1996 CG BGLN B 79 -1.380 4.011 16.671 0.47 24.26 C +ANISOU 1996 CG BGLN B 79 3672 3479 2067 137 -658 -187 C +ATOM 1997 CD AGLN B 79 -2.173 5.161 15.692 0.53 26.22 C +ANISOU 1997 CD AGLN B 79 3972 3874 2116 177 -848 -377 C +ATOM 1998 CD BGLN B 79 -2.644 3.205 16.974 0.47 27.98 C +ANISOU 1998 CD BGLN B 79 3974 3909 2750 64 -604 -245 C +ATOM 1999 OE1AGLN B 79 -2.687 4.972 14.586 0.53 31.43 O +ANISOU 1999 OE1AGLN B 79 4598 4522 2822 127 -905 -563 O +ATOM 2000 OE1BGLN B 79 -3.192 2.538 16.102 0.47 23.28 O +ANISOU 2000 OE1BGLN B 79 3312 3248 2284 4 -626 -420 O +ATOM 2001 NE2AGLN B 79 -2.243 6.322 16.327 0.53 24.98 N +ANISOU 2001 NE2AGLN B 79 3764 3774 1953 169 -788 -228 N +ATOM 2002 NE2BGLN B 79 -3.119 3.287 18.219 0.47 30.94 N +ANISOU 2002 NE2BGLN B 79 4279 4332 3143 56 -535 -94 N +ATOM 2003 N GLN B 80 -1.013 0.358 15.472 1.00 26.42 N +ANISOU 2003 N GLN B 80 3760 3275 3004 -39 -456 -417 N +ATOM 2004 CA GLN B 80 -1.737 -0.828 15.842 1.00 30.82 C +ANISOU 2004 CA GLN B 80 4195 3681 3836 -135 -407 -413 C +ATOM 2005 C GLN B 80 -0.866 -1.950 16.412 1.00 26.68 C +ANISOU 2005 C GLN B 80 3652 2942 3544 -155 -317 -282 C +ATOM 2006 O GLN B 80 -1.207 -2.537 17.448 1.00 26.93 O +ANISOU 2006 O GLN B 80 3608 2893 3733 -233 -273 -109 O +ATOM 2007 CB GLN B 80 -2.533 -1.334 14.654 1.00 28.98 C +ANISOU 2007 CB GLN B 80 3927 3398 3685 -195 -472 -673 C +ATOM 2008 CG GLN B 80 -3.800 -0.537 14.438 1.00 33.38 C +ANISOU 2008 CG GLN B 80 4436 4126 4122 -217 -570 -755 C +ATOM 2009 CD GLN B 80 -4.693 -1.188 13.400 1.00 45.13 C +ANISOU 2009 CD GLN B 80 5874 5542 5731 -307 -645 -980 C +ATOM 2010 OE1 GLN B 80 -4.664 -0.820 12.220 1.00 53.34 O +ANISOU 2010 OE1 GLN B 80 6996 6627 6642 -295 -737 -1173 O +ATOM 2011 NE2 GLN B 80 -5.468 -2.174 13.824 1.00 43.41 N +ANISOU 2011 NE2 GLN B 80 5529 5212 5753 -416 -617 -948 N +ATOM 2012 N GLN B 81 0.269 -2.214 15.774 1.00 26.27 N +ANISOU 2012 N GLN B 81 3664 2806 3510 -86 -294 -354 N +ATOM 2013 CA GLN B 81 1.174 -3.243 16.254 1.00 28.82 C +ANISOU 2013 CA GLN B 81 3963 2912 4074 -78 -228 -243 C +ATOM 2014 C GLN B 81 1.698 -2.863 17.643 1.00 28.36 C +ANISOU 2014 C GLN B 81 3916 2884 3977 -73 -195 74 C +ATOM 2015 O GLN B 81 1.848 -3.710 18.498 1.00 29.85 O +ANISOU 2015 O GLN B 81 4056 2902 4383 -131 -168 242 O +ATOM 2016 CB GLN B 81 2.354 -3.448 15.302 1.00 27.60 C +ANISOU 2016 CB GLN B 81 3858 2705 3922 21 -199 -393 C +ATOM 2017 CG GLN B 81 1.987 -3.969 13.922 1.00 29.04 C +ANISOU 2017 CG GLN B 81 4049 2836 4149 10 -220 -719 C +ATOM 2018 CD GLN B 81 3.196 -4.249 13.081 1.00 29.78 C +ANISOU 2018 CD GLN B 81 4175 2891 4250 110 -161 -871 C +ATOM 2019 OE1 GLN B 81 4.285 -3.781 13.385 1.00 31.49 O +ANISOU 2019 OE1 GLN B 81 4407 3180 4378 189 -116 -739 O +ATOM 2020 NE2 GLN B 81 3.027 -5.052 12.035 1.00 31.68 N +ANISOU 2020 NE2 GLN B 81 4419 3016 4602 104 -159 -1152 N +ATOM 2021 N MET B 82 1.963 -1.586 17.881 1.00 26.24 N +ANISOU 2021 N MET B 82 3722 2821 3426 -16 -215 163 N +ATOM 2022 CA MET B 82 2.532 -1.203 19.155 1.00 24.74 C +ANISOU 2022 CA MET B 82 3566 2656 3180 -14 -193 455 C +ATOM 2023 C MET B 82 1.485 -1.173 20.270 1.00 24.81 C +ANISOU 2023 C MET B 82 3524 2712 3192 -111 -179 599 C +ATOM 2024 O MET B 82 1.808 -1.283 21.434 1.00 25.70 O +ANISOU 2024 O MET B 82 3645 2787 3331 -157 -149 846 O +ATOM 2025 CB MET B 82 3.208 0.170 19.051 1.00 23.87 C +ANISOU 2025 CB MET B 82 3570 2739 2759 74 -238 507 C +ATOM 2026 CG MET B 82 4.310 0.344 20.104 1.00 32.49 C +ANISOU 2026 CG MET B 82 4713 3799 3834 89 -221 795 C +ATOM 2027 SD MET B 82 5.070 1.959 20.074 1.00 32.65 S +ANISOU 2027 SD MET B 82 4880 4034 3491 166 -300 885 S +ATOM 2028 CE MET B 82 5.727 1.988 18.449 1.00 22.13 C +ANISOU 2028 CE MET B 82 3553 2744 2113 227 -312 643 C +ATOM 2029 N ASN B 83 0.222 -1.004 19.908 1.00 24.39 N +ANISOU 2029 N ASN B 83 3411 2756 3101 -150 -201 445 N +ATOM 2030 CA ASN B 83 -0.832 -0.850 20.891 1.00 24.79 C +ANISOU 2030 CA ASN B 83 3389 2906 3122 -233 -172 553 C +ATOM 2031 C ASN B 83 -1.739 -2.085 21.084 1.00 33.77 C +ANISOU 2031 C ASN B 83 4389 3919 4524 -383 -142 546 C +ATOM 2032 O ASN B 83 -2.538 -2.150 22.022 1.00 31.64 O +ANISOU 2032 O ASN B 83 4038 3729 4254 -484 -97 670 O +ATOM 2033 CB ASN B 83 -1.628 0.395 20.536 1.00 26.96 C +ANISOU 2033 CB ASN B 83 3679 3413 3152 -162 -228 417 C +ATOM 2034 CG ASN B 83 -0.865 1.683 20.948 1.00 25.74 C +ANISOU 2034 CG ASN B 83 3667 3390 2721 -55 -263 530 C +ATOM 2035 OD1 ASN B 83 -0.718 1.955 22.126 1.00 24.50 O +ANISOU 2035 OD1 ASN B 83 3539 3279 2491 -73 -220 733 O +ATOM 2036 ND2 ASN B 83 -0.329 2.401 19.980 1.00 28.95 N +ANISOU 2036 ND2 ASN B 83 4174 3848 2979 37 -349 409 N +ATOM 2037 N ASN B 84 -1.566 -3.087 20.233 1.00 27.81 N +ANISOU 2037 N ASN B 84 3612 2967 3989 -405 -167 409 N +ATOM 2038 CA ASN B 84 -2.364 -4.312 20.294 1.00 29.86 C +ANISOU 2038 CA ASN B 84 3760 3072 4512 -555 -171 395 C +ATOM 2039 C ASN B 84 -1.453 -5.503 20.479 1.00 31.09 C +ANISOU 2039 C ASN B 84 3938 2938 4936 -589 -175 492 C +ATOM 2040 O ASN B 84 -0.666 -5.861 19.593 1.00 31.25 O +ANISOU 2040 O ASN B 84 4013 2816 5046 -494 -197 342 O +ATOM 2041 CB ASN B 84 -3.208 -4.418 19.022 1.00 30.52 C +ANISOU 2041 CB ASN B 84 3802 3171 4624 -559 -233 106 C +ATOM 2042 CG ASN B 84 -4.304 -5.460 19.118 1.00 33.61 C +ANISOU 2042 CG ASN B 84 4066 3462 5243 -734 -256 96 C +ATOM 2043 OD1 ASN B 84 -4.182 -6.441 19.851 1.00 36.27 O +ANISOU 2043 OD1 ASN B 84 4368 3625 5787 -852 -242 268 O +ATOM 2044 ND2 ASN B 84 -5.376 -5.276 18.340 1.00 34.76 N +ANISOU 2044 ND2 ASN B 84 4144 3704 5361 -765 -311 -98 N +ATOM 2045 N PHE B 85 -1.527 -6.113 21.652 1.00 32.37 N +ANISOU 2045 N PHE B 85 4059 3015 5225 -723 -156 746 N +ATOM 2046 CA PHE B 85 -0.723 -7.303 21.944 1.00 38.01 C +ANISOU 2046 CA PHE B 85 4790 3423 6228 -769 -192 867 C +ATOM 2047 C PHE B 85 -1.071 -8.471 21.018 1.00 37.65 C +ANISOU 2047 C PHE B 85 4707 3138 6459 -813 -261 663 C +ATOM 2048 O PHE B 85 -0.329 -9.414 20.925 1.00 40.01 O +ANISOU 2048 O PHE B 85 5032 3160 7009 -796 -308 676 O +ATOM 2049 CB PHE B 85 -0.882 -7.765 23.417 1.00 37.51 C +ANISOU 2049 CB PHE B 85 4696 3316 6242 -951 -184 1200 C +ATOM 2050 CG PHE B 85 -0.092 -6.939 24.404 1.00 42.47 C +ANISOU 2050 CG PHE B 85 5400 4066 6670 -906 -140 1436 C +ATOM 2051 CD1 PHE B 85 1.144 -6.424 24.066 1.00 56.31 C +ANISOU 2051 CD1 PHE B 85 7244 5797 8352 -728 -144 1414 C +ATOM 2052 CD2 PHE B 85 -0.589 -6.668 25.648 1.00 51.56 C +ANISOU 2052 CD2 PHE B 85 6533 5365 7693 -1050 -95 1673 C +ATOM 2053 CE1 PHE B 85 1.853 -5.654 24.963 1.00 56.69 C +ANISOU 2053 CE1 PHE B 85 7372 5952 8216 -700 -123 1638 C +ATOM 2054 CE2 PHE B 85 0.108 -5.888 26.547 1.00 51.01 C +ANISOU 2054 CE2 PHE B 85 6554 5406 7422 -1016 -64 1879 C +ATOM 2055 CZ PHE B 85 1.318 -5.380 26.217 1.00 50.84 C +ANISOU 2055 CZ PHE B 85 6632 5357 7329 -833 -85 1844 C +ATOM 2056 N ASP B 86 -2.216 -8.424 20.353 1.00 36.21 N +ANISOU 2056 N ASP B 86 4464 3051 6243 -870 -280 476 N +ATOM 2057 CA ASP B 86 -2.567 -9.514 19.438 1.00 38.29 C +ANISOU 2057 CA ASP B 86 4713 3081 6756 -921 -362 273 C +ATOM 2058 C ASP B 86 -1.766 -9.434 18.131 1.00 37.87 C +ANISOU 2058 C ASP B 86 4747 2955 6686 -736 -369 -14 C +ATOM 2059 O ASP B 86 -1.690 -10.412 17.416 1.00 39.73 O +ANISOU 2059 O ASP B 86 5002 2951 7144 -740 -430 -185 O +ATOM 2060 CB ASP B 86 -4.085 -9.552 19.169 1.00 54.89 C +ANISOU 2060 CB ASP B 86 6713 5303 8841 -1068 -396 183 C +ATOM 2061 CG ASP B 86 -4.900 -10.036 20.393 1.00 57.22 C +ANISOU 2061 CG ASP B 86 6897 5617 9228 -1297 -394 455 C +ATOM 2062 OD1 ASP B 86 -4.342 -10.696 21.310 1.00 55.42 O +ANISOU 2062 OD1 ASP B 86 6688 5219 9148 -1378 -405 695 O +ATOM 2063 OD2 ASP B 86 -6.113 -9.749 20.442 1.00 61.04 O +ANISOU 2063 OD2 ASP B 86 7266 6298 9630 -1405 -385 434 O +ATOM 2064 N PHE B 87 -1.141 -8.279 17.848 1.00 35.61 N +ANISOU 2064 N PHE B 87 4520 2880 6132 -581 -309 -62 N +ATOM 2065 CA PHE B 87 -0.350 -8.097 16.627 1.00 41.57 C +ANISOU 2065 CA PHE B 87 5351 3622 6822 -423 -300 -321 C +ATOM 2066 C PHE B 87 1.148 -8.040 16.924 1.00 44.93 C +ANISOU 2066 C PHE B 87 5822 3980 7269 -287 -248 -216 C +ATOM 2067 O PHE B 87 1.582 -7.400 17.856 1.00 52.57 O +ANISOU 2067 O PHE B 87 6797 5058 8120 -272 -215 26 O +ATOM 2068 CB PHE B 87 -0.732 -6.792 15.917 1.00 34.13 C +ANISOU 2068 CB PHE B 87 4445 2979 5545 -365 -295 -464 C +ATOM 2069 CG PHE B 87 -2.155 -6.732 15.416 1.00 34.01 C +ANISOU 2069 CG PHE B 87 4378 3048 5497 -473 -360 -605 C +ATOM 2070 CD1 PHE B 87 -2.819 -7.850 14.949 1.00 50.45 C +ANISOU 2070 CD1 PHE B 87 6424 4930 7815 -581 -423 -736 C +ATOM 2071 CD2 PHE B 87 -2.812 -5.507 15.372 1.00 43.89 C +ANISOU 2071 CD2 PHE B 87 5619 4575 6481 -460 -376 -613 C +ATOM 2072 CE1 PHE B 87 -4.134 -7.760 14.480 1.00 51.64 C +ANISOU 2072 CE1 PHE B 87 6516 5169 7936 -689 -495 -853 C +ATOM 2073 CE2 PHE B 87 -4.124 -5.412 14.905 1.00 46.00 C +ANISOU 2073 CE2 PHE B 87 5820 4927 6732 -550 -448 -739 C +ATOM 2074 CZ PHE B 87 -4.776 -6.535 14.458 1.00 48.89 C +ANISOU 2074 CZ PHE B 87 6139 5107 7331 -670 -505 -853 C +ATOM 2075 N GLU B 88 1.945 -8.673 16.090 1.00 40.91 N +ANISOU 2075 N GLU B 88 5339 3303 6900 -183 -242 -412 N +ATOM 2076 CA GLU B 88 3.389 -8.640 16.256 1.00 41.18 C +ANISOU 2076 CA GLU B 88 5388 3286 6973 -41 -191 -340 C +ATOM 2077 C GLU B 88 3.960 -7.309 15.783 1.00 33.81 C +ANISOU 2077 C GLU B 88 4504 2651 5691 63 -132 -385 C +ATOM 2078 O GLU B 88 3.590 -6.825 14.712 1.00 37.94 O +ANISOU 2078 O GLU B 88 5067 3326 6024 79 -131 -626 O +ATOM 2079 CB GLU B 88 4.023 -9.815 15.491 1.00 48.48 C +ANISOU 2079 CB GLU B 88 6305 3933 8183 50 -197 -567 C +ATOM 2080 CG GLU B 88 3.737 -11.144 16.128 1.00 64.89 C +ANISOU 2080 CG GLU B 88 8347 5670 10638 -42 -285 -463 C +ATOM 2081 CD GLU B 88 4.218 -11.210 17.580 1.00 69.48 C +ANISOU 2081 CD GLU B 88 8898 6176 11327 -89 -308 -78 C +ATOM 2082 OE1 GLU B 88 5.457 -11.176 17.819 1.00 66.09 O +ANISOU 2082 OE1 GLU B 88 8455 5693 10960 42 -279 8 O +ATOM 2083 OE2 GLU B 88 3.348 -11.286 18.479 1.00 69.57 O +ANISOU 2083 OE2 GLU B 88 8892 6193 11348 -267 -356 140 O +ATOM 2084 N PHE B 89 4.835 -6.715 16.598 1.00 34.21 N +ANISOU 2084 N PHE B 89 4561 2782 5656 114 -103 -138 N +ATOM 2085 CA PHE B 89 5.529 -5.451 16.264 1.00 30.10 C +ANISOU 2085 CA PHE B 89 4094 2529 4815 201 -68 -133 C +ATOM 2086 C PHE B 89 6.711 -5.738 15.325 1.00 32.68 C +ANISOU 2086 C PHE B 89 4404 2823 5190 337 -7 -321 C +ATOM 2087 O PHE B 89 7.502 -6.645 15.563 1.00 32.74 O +ANISOU 2087 O PHE B 89 4351 2613 5476 404 14 -289 O +ATOM 2088 CB PHE B 89 6.027 -4.746 17.542 1.00 28.48 C +ANISOU 2088 CB PHE B 89 3909 2406 4506 190 -74 215 C +ATOM 2089 CG PHE B 89 6.774 -3.459 17.283 1.00 30.12 C +ANISOU 2089 CG PHE B 89 4182 2867 4396 263 -65 254 C +ATOM 2090 CD1 PHE B 89 6.152 -2.400 16.639 1.00 25.24 C +ANISOU 2090 CD1 PHE B 89 3633 2486 3469 248 -97 128 C +ATOM 2091 CD2 PHE B 89 8.100 -3.310 17.666 1.00 29.07 C +ANISOU 2091 CD2 PHE B 89 4039 2727 4278 337 -44 424 C +ATOM 2092 CE1 PHE B 89 6.835 -1.209 16.361 1.00 29.16 C +ANISOU 2092 CE1 PHE B 89 4204 3206 3670 296 -117 171 C +ATOM 2093 CE2 PHE B 89 8.776 -2.111 17.391 1.00 26.88 C +ANISOU 2093 CE2 PHE B 89 3825 2690 3698 381 -51 469 C +ATOM 2094 CZ PHE B 89 8.126 -1.061 16.743 1.00 24.14 C +ANISOU 2094 CZ PHE B 89 3562 2573 3037 355 -92 345 C +ATOM 2095 N GLU B 90 6.818 -4.951 14.258 1.00 33.69 N +ANISOU 2095 N GLU B 90 4582 3177 5043 372 17 -519 N +ATOM 2096 CA GLU B 90 7.889 -5.115 13.283 1.00 38.11 C +ANISOU 2096 CA GLU B 90 5118 3771 5589 486 95 -719 C +ATOM 2097 C GLU B 90 8.686 -3.820 13.209 1.00 36.87 C +ANISOU 2097 C GLU B 90 5002 3903 5106 514 111 -601 C +ATOM 2098 O GLU B 90 8.126 -2.740 13.341 1.00 32.02 O +ANISOU 2098 O GLU B 90 4468 3481 4215 444 44 -510 O +ATOM 2099 CB GLU B 90 7.318 -5.384 11.878 1.00 42.72 C +ANISOU 2099 CB GLU B 90 5740 4387 6103 469 106 -1092 C +ATOM 2100 CG GLU B 90 6.518 -6.661 11.672 1.00 40.26 C +ANISOU 2100 CG GLU B 90 5410 3798 6090 432 76 -1268 C +ATOM 2101 CD GLU B 90 5.904 -6.720 10.255 1.00 41.31 C +ANISOU 2101 CD GLU B 90 5608 4003 6086 394 68 -1626 C +ATOM 2102 OE1 GLU B 90 4.827 -6.123 10.017 1.00 40.62 O +ANISOU 2102 OE1 GLU B 90 5578 4043 5812 282 -13 -1649 O +ATOM 2103 OE2 GLU B 90 6.521 -7.347 9.360 1.00 42.66 O +ANISOU 2103 OE2 GLU B 90 5772 4110 6329 479 140 -1893 O +ATOM 2104 N MET B 91 9.986 -3.944 12.974 1.00 30.58 N +ANISOU 2104 N MET B 91 4140 3129 4349 618 190 -610 N +ATOM 2105 CA MET B 91 10.817 -2.830 12.551 1.00 30.15 C +ANISOU 2105 CA MET B 91 4113 3365 3976 634 213 -567 C +ATOM 2106 C MET B 91 10.990 -2.866 11.039 1.00 35.38 C +ANISOU 2106 C MET B 91 4781 4173 4491 652 286 -915 C +ATOM 2107 O MET B 91 11.217 -3.932 10.470 1.00 37.28 O +ANISOU 2107 O MET B 91 4949 4261 4954 729 371 -1156 O +ATOM 2108 CB MET B 91 12.196 -2.934 13.225 1.00 31.36 C +ANISOU 2108 CB MET B 91 4168 3484 4261 724 259 -349 C +ATOM 2109 CG MET B 91 12.141 -2.746 14.711 1.00 31.40 C +ANISOU 2109 CG MET B 91 4193 3386 4352 685 177 18 C +ATOM 2110 SD MET B 91 13.446 -3.583 15.611 1.00 37.66 S +ANISOU 2110 SD MET B 91 4846 3959 5506 788 204 236 S +ATOM 2111 CE MET B 91 14.836 -2.626 15.045 1.00 36.79 C +ANISOU 2111 CE MET B 91 4688 4152 5138 844 261 274 C +ATOM 2112 N LEU B 92 10.936 -1.702 10.388 1.00 35.93 N +ANISOU 2112 N LEU B 92 4941 4533 4177 577 247 -940 N +ATOM 2113 CA LEU B 92 11.002 -1.666 8.919 1.00 38.63 C +ANISOU 2113 CA LEU B 92 5311 5040 4327 555 305 -1265 C +ATOM 2114 C LEU B 92 12.463 -1.664 8.513 1.00 39.44 C +ANISOU 2114 C LEU B 92 5311 5288 4386 636 436 -1294 C +ATOM 2115 O LEU B 92 13.161 -0.645 8.692 1.00 37.32 O +ANISOU 2115 O LEU B 92 5056 5245 3879 600 410 -1088 O +ATOM 2116 CB LEU B 92 10.259 -0.443 8.371 1.00 34.00 C +ANISOU 2116 CB LEU B 92 4872 4692 3354 418 178 -1273 C +ATOM 2117 CG LEU B 92 9.854 -0.427 6.899 1.00 45.91 C +ANISOU 2117 CG LEU B 92 6452 6335 4658 341 183 -1605 C +ATOM 2118 CD1 LEU B 92 9.617 -1.804 6.337 1.00 50.59 C +ANISOU 2118 CD1 LEU B 92 6989 6716 5517 399 282 -1912 C +ATOM 2119 CD2 LEU B 92 8.593 0.416 6.740 1.00 48.95 C +ANISOU 2119 CD2 LEU B 92 6973 6792 4832 215 1 -1586 C +ATOM 2120 N LEU B 93 12.920 -2.819 8.026 1.00 38.33 N +ANISOU 2120 N LEU B 93 5061 5008 4493 749 570 -1542 N +ATOM 2121 CA LEU B 93 14.335 -3.079 7.719 1.00 39.69 C +ANISOU 2121 CA LEU B 93 5084 5279 4718 866 722 -1601 C +ATOM 2122 C LEU B 93 14.504 -3.783 6.374 1.00 48.97 C +ANISOU 2122 C LEU B 93 6224 6501 5881 917 865 -2033 C +ATOM 2123 O LEU B 93 13.606 -4.497 5.920 1.00 42.48 O +ANISOU 2123 O LEU B 93 5471 5504 5167 905 845 -2279 O +ATOM 2124 CB LEU B 93 14.981 -3.943 8.813 1.00 44.47 C +ANISOU 2124 CB LEU B 93 5545 5603 5748 1011 747 -1426 C +ATOM 2125 CG LEU B 93 14.942 -3.423 10.255 1.00 40.05 C +ANISOU 2125 CG LEU B 93 5011 4965 5240 969 620 -995 C +ATOM 2126 CD1 LEU B 93 15.323 -4.522 11.221 1.00 37.84 C +ANISOU 2126 CD1 LEU B 93 4614 4347 5417 1087 620 -875 C +ATOM 2127 CD2 LEU B 93 15.878 -2.246 10.417 1.00 38.66 C +ANISOU 2127 CD2 LEU B 93 4822 5084 4783 929 613 -755 C +ATOM 2128 N PRO B 94 15.667 -3.587 5.722 1.00 47.58 N +ANISOU 2128 N PRO B 94 5939 6575 5565 968 1012 -2132 N +ATOM 2129 CA PRO B 94 15.871 -4.212 4.419 1.00 53.41 C +ANISOU 2129 CA PRO B 94 6646 7396 6253 1015 1168 -2564 C +ATOM 2130 C PRO B 94 15.877 -5.722 4.526 1.00 56.89 C +ANISOU 2130 C PRO B 94 6993 7468 7154 1200 1236 -2793 C +ATOM 2131 O PRO B 94 16.251 -6.286 5.576 1.00 50.40 O +ANISOU 2131 O PRO B 94 6061 6386 6703 1326 1209 -2599 O +ATOM 2132 CB PRO B 94 17.250 -3.698 3.975 1.00 50.64 C +ANISOU 2132 CB PRO B 94 6150 7391 5700 1044 1322 -2554 C +ATOM 2133 CG PRO B 94 17.873 -3.147 5.191 1.00 45.70 C +ANISOU 2133 CG PRO B 94 5445 6758 5159 1065 1248 -2124 C +ATOM 2134 CD PRO B 94 16.797 -2.728 6.105 1.00 42.21 C +ANISOU 2134 CD PRO B 94 5166 6140 4731 964 1038 -1857 C +ATOM 2135 N ASP B 95 15.479 -6.361 3.435 1.00 67.18 N +ANISOU 2135 N ASP B 95 8360 8739 8425 1198 1297 -3168 N +ATOM 2136 CA ASP B 95 15.297 -7.796 3.436 1.00 73.26 C +ANISOU 2136 CA ASP B 95 9105 9132 9598 1329 1299 -3335 C +ATOM 2137 C ASP B 95 16.632 -8.508 3.511 1.00 74.35 C +ANISOU 2137 C ASP B 95 9034 9217 9997 1547 1447 -3396 C +ATOM 2138 O ASP B 95 17.671 -7.924 3.205 1.00 71.82 O +ANISOU 2138 O ASP B 95 8594 9206 9487 1575 1580 -3375 O +ATOM 2139 CB ASP B 95 14.521 -8.246 2.204 1.00 76.04 C +ANISOU 2139 CB ASP B 95 9623 9470 9798 1220 1267 -3561 C +ATOM 2140 CG ASP B 95 13.424 -9.231 2.555 1.00 81.56 C +ANISOU 2140 CG ASP B 95 10411 9779 10798 1215 1129 -3606 C +ATOM 2141 OD1 ASP B 95 12.691 -8.967 3.546 1.00 78.05 O +ANISOU 2141 OD1 ASP B 95 9997 9193 10467 1160 1001 -3421 O +ATOM 2142 OD2 ASP B 95 13.308 -10.267 1.859 1.00 86.61 O +ANISOU 2142 OD2 ASP B 95 11091 10259 11560 1263 1145 -3822 O +ATOM 2143 N ASP B 96 16.581 -9.769 3.933 1.00 88.36 N +ANISOU 2143 N ASP B 96 10768 10600 12206 1688 1403 -3450 N +ATOM 2144 CA ASP B 96 17.773 -10.587 4.172 1.00 91.03 C +ANISOU 2144 CA ASP B 96 10909 10811 12868 1911 1494 -3475 C +ATOM 2145 C ASP B 96 18.762 -10.631 2.999 1.00 89.92 C +ANISOU 2145 C ASP B 96 10684 10956 12527 1979 1687 -3703 C +ATOM 2146 O ASP B 96 19.974 -10.697 3.201 1.00 94.36 O +ANISOU 2146 O ASP B 96 11041 11601 13211 2132 1800 -3660 O +ATOM 2147 CB ASP B 96 17.344 -12.013 4.534 1.00 93.50 C +ANISOU 2147 CB ASP B 96 11256 10660 13608 2002 1375 -3533 C +ATOM 2148 CG ASP B 96 16.626 -12.731 3.381 1.00102.64 C +ANISOU 2148 CG ASP B 96 12577 11757 14665 1944 1366 -3837 C +ATOM 2149 OD1 ASP B 96 17.139 -12.728 2.233 1.00105.22 O +ANISOU 2149 OD1 ASP B 96 12896 12315 14766 1971 1511 -4070 O +ATOM 2150 OD2 ASP B 96 15.543 -13.307 3.628 1.00104.13 O +ANISOU 2150 OD2 ASP B 96 12898 11667 14999 1864 1211 -3829 O +ATOM 2151 N ASP B 97 18.237 -10.616 1.779 1.00 93.05 N +ANISOU 2151 N ASP B 97 11235 11494 12627 1859 1718 -3929 N +ATOM 2152 CA ASP B 97 19.066 -10.662 0.581 1.00 93.18 C +ANISOU 2152 CA ASP B 97 11195 11779 12429 1895 1899 -4151 C +ATOM 2153 C ASP B 97 20.201 -9.634 0.661 1.00 97.80 C +ANISOU 2153 C ASP B 97 11606 12748 12805 1894 2034 -4003 C +ATOM 2154 O ASP B 97 21.343 -9.945 0.310 1.00 95.01 O +ANISOU 2154 O ASP B 97 11075 12513 12510 2036 2195 -4103 O +ATOM 2155 CB ASP B 97 18.208 -10.389 -0.662 1.00104.84 C +ANISOU 2155 CB ASP B 97 12892 13413 13532 1696 1877 -4319 C +ATOM 2156 CG ASP B 97 17.897 -8.905 -0.848 1.00110.46 C +ANISOU 2156 CG ASP B 97 13691 14473 13806 1461 1837 -4134 C +ATOM 2157 OD1 ASP B 97 18.754 -8.186 -1.406 1.00118.32 O +ANISOU 2157 OD1 ASP B 97 14608 15824 14524 1413 1961 -4117 O +ATOM 2158 OD2 ASP B 97 16.803 -8.446 -0.439 1.00107.75 O +ANISOU 2158 OD2 ASP B 97 13494 14050 13395 1317 1669 -3993 O +ATOM 2159 N GLU B 98 19.882 -8.420 1.131 1.00 85.44 N +ANISOU 2159 N GLU B 98 10089 11380 10995 1730 1961 -3759 N +ATOM 2160 CA GLU B 98 20.819 -7.289 1.098 1.00 81.39 C +ANISOU 2160 CA GLU B 98 9452 11278 10195 1664 2059 -3594 C +ATOM 2161 C GLU B 98 22.074 -7.576 1.920 1.00 78.34 C +ANISOU 2161 C GLU B 98 8783 10857 10126 1882 2155 -3474 C +ATOM 2162 O GLU B 98 22.117 -8.518 2.711 1.00 80.65 O +ANISOU 2162 O GLU B 98 8995 10779 10870 2068 2103 -3457 O +ATOM 2163 CB GLU B 98 20.158 -5.988 1.609 1.00 83.46 C +ANISOU 2163 CB GLU B 98 9839 11709 10162 1456 1918 -3328 C +ATOM 2164 CG GLU B 98 18.923 -5.507 0.808 1.00 87.52 C +ANISOU 2164 CG GLU B 98 10631 12281 10342 1217 1786 -3380 C +ATOM 2165 CD GLU B 98 19.284 -4.654 -0.413 1.00 88.80 C +ANISOU 2165 CD GLU B 98 10855 12831 10055 1026 1833 -3390 C +ATOM 2166 OE1 GLU B 98 20.388 -4.073 -0.429 1.00 88.22 O +ANISOU 2166 OE1 GLU B 98 10631 13042 9845 1023 1937 -3279 O +ATOM 2167 OE2 GLU B 98 18.467 -4.562 -1.362 1.00 89.69 O +ANISOU 2167 OE2 GLU B 98 11161 12954 9964 873 1754 -3489 O +ATOM 2168 N SER B 99 23.091 -6.750 1.724 1.00 73.56 N +ANISOU 2168 N SER B 99 8396 11095 8457 2679 2802 -2615 N +ATOM 2169 CA SER B 99 24.372 -6.906 2.402 1.00 71.65 C +ANISOU 2169 CA SER B 99 7735 10909 8579 2842 2820 -2657 C +ATOM 2170 C SER B 99 24.252 -6.904 3.928 1.00 71.76 C +ANISOU 2170 C SER B 99 7630 10723 8913 2934 2478 -2523 C +ATOM 2171 O SER B 99 23.330 -6.309 4.478 1.00 65.13 O +ANISOU 2171 O SER B 99 6959 9773 8013 2748 2288 -2296 O +ATOM 2172 CB SER B 99 25.282 -5.772 1.946 1.00 77.94 C +ANISOU 2172 CB SER B 99 8207 12090 9315 2618 3138 -2551 C +ATOM 2173 OG SER B 99 26.223 -5.394 2.927 1.00 86.99 O +ANISOU 2173 OG SER B 99 8949 13299 10805 2661 3074 -2454 O +ATOM 2174 N LEU B 100 25.189 -7.567 4.607 1.00 71.61 N +ANISOU 2174 N LEU B 100 7361 10602 9245 3157 2371 -2600 N +ATOM 2175 CA LEU B 100 25.271 -7.523 6.069 1.00 67.24 C +ANISOU 2175 CA LEU B 100 6665 9881 9004 3217 2051 -2457 C +ATOM 2176 C LEU B 100 25.569 -6.093 6.567 1.00 69.65 C +ANISOU 2176 C LEU B 100 6692 10435 9339 2980 2119 -2239 C +ATOM 2177 O LEU B 100 24.877 -5.577 7.457 1.00 63.17 O +ANISOU 2177 O LEU B 100 5991 9463 8546 2818 1873 -2004 O +ATOM 2178 CB LEU B 100 26.314 -8.534 6.570 1.00 84.56 C +ANISOU 2178 CB LEU B 100 8649 11932 11549 3479 1934 -2575 C +ATOM 2179 CG LEU B 100 26.666 -8.606 8.064 1.00 84.23 C +ANISOU 2179 CG LEU B 100 8432 11720 11852 3542 1600 -2431 C +ATOM 2180 CD1 LEU B 100 27.721 -7.590 8.425 1.00 90.62 C +ANISOU 2180 CD1 LEU B 100 8823 12790 12818 3430 1728 -2311 C +ATOM 2181 CD2 LEU B 100 25.450 -8.437 8.982 1.00 72.33 C +ANISOU 2181 CD2 LEU B 100 7192 9991 10300 3450 1276 -2255 C +ATOM 2182 N VAL B 101 26.583 -5.445 5.999 1.00 70.23 N +ANISOU 2182 N VAL B 101 6460 10815 9410 2872 2415 -2233 N +ATOM 2183 CA VAL B 101 26.847 -4.041 6.318 1.00 68.64 C +ANISOU 2183 CA VAL B 101 6013 10854 9212 2599 2483 -2009 C +ATOM 2184 C VAL B 101 25.590 -3.167 6.128 1.00 66.58 C +ANISOU 2184 C VAL B 101 6088 10547 8662 2269 2428 -1780 C +ATOM 2185 O VAL B 101 25.228 -2.352 6.989 1.00 66.77 O +ANISOU 2185 O VAL B 101 6132 10474 8763 2066 2222 -1528 O +ATOM 2186 CB VAL B 101 27.997 -3.478 5.455 1.00 81.78 C +ANISOU 2186 CB VAL B 101 7381 12845 10847 2479 2832 -2007 C +ATOM 2187 CG1 VAL B 101 27.492 -2.989 4.103 1.00 86.46 C +ANISOU 2187 CG1 VAL B 101 8180 13640 11029 2250 3117 -2003 C +ATOM 2188 CG2 VAL B 101 28.683 -2.343 6.172 1.00 84.72 C +ANISOU 2188 CG2 VAL B 101 7406 13373 11410 2287 2793 -1782 C +ATOM 2189 N THR B 102 24.912 -3.357 5.007 1.00 68.59 N +ANISOU 2189 N THR B 102 6635 10831 8594 2205 2587 -1859 N +ATOM 2190 CA THR B 102 23.754 -2.549 4.673 1.00 69.19 C +ANISOU 2190 CA THR B 102 7037 10844 8407 1875 2534 -1633 C +ATOM 2191 C THR B 102 22.654 -2.756 5.700 1.00 63.63 C +ANISOU 2191 C THR B 102 6613 9768 7796 1868 2159 -1485 C +ATOM 2192 O THR B 102 21.997 -1.796 6.106 1.00 59.42 O +ANISOU 2192 O THR B 102 6174 9171 7230 1602 2033 -1236 O +ATOM 2193 CB THR B 102 23.228 -2.885 3.263 1.00 65.65 C +ANISOU 2193 CB THR B 102 6878 10468 7598 1831 2743 -1763 C +ATOM 2194 OG1 THR B 102 24.239 -2.566 2.298 1.00 71.03 O +ANISOU 2194 OG1 THR B 102 7294 11542 8151 1790 3122 -1880 O +ATOM 2195 CG2 THR B 102 21.984 -2.090 2.946 1.00 60.05 C +ANISOU 2195 CG2 THR B 102 6509 9654 6652 1493 2642 -1517 C +ATOM 2196 N ARG B 103 22.469 -3.999 6.136 1.00 60.94 N +ANISOU 2196 N ARG B 103 6393 9182 7579 2157 1978 -1639 N +ATOM 2197 CA ARG B 103 21.396 -4.295 7.080 1.00 61.97 C +ANISOU 2197 CA ARG B 103 6796 8975 7776 2145 1633 -1498 C +ATOM 2198 C ARG B 103 21.775 -3.871 8.492 1.00 60.52 C +ANISOU 2198 C ARG B 103 6399 8732 7863 2127 1424 -1346 C +ATOM 2199 O ARG B 103 20.908 -3.562 9.307 1.00 55.43 O +ANISOU 2199 O ARG B 103 5929 7901 7230 1994 1195 -1158 O +ATOM 2200 CB ARG B 103 21.007 -5.777 7.037 1.00 60.90 C +ANISOU 2200 CB ARG B 103 6891 8583 7666 2428 1480 -1686 C +ATOM 2201 CG ARG B 103 20.450 -6.182 5.685 1.00 66.70 C +ANISOU 2201 CG ARG B 103 7909 9331 8103 2421 1640 -1822 C +ATOM 2202 CD ARG B 103 19.686 -7.495 5.722 1.00 72.95 C +ANISOU 2202 CD ARG B 103 9024 9796 8895 2621 1406 -1932 C +ATOM 2203 NE ARG B 103 20.283 -8.448 6.642 1.00 79.04 N +ANISOU 2203 NE ARG B 103 9648 10408 9974 2918 1203 -2046 N +ATOM 2204 CZ ARG B 103 21.478 -8.997 6.479 1.00 77.52 C +ANISOU 2204 CZ ARG B 103 9176 10332 9946 3190 1328 -2299 C +ATOM 2205 NH1 ARG B 103 21.943 -9.848 7.377 1.00 81.05 N +ANISOU 2205 NH1 ARG B 103 9507 10589 10698 3427 1086 -2363 N +ATOM 2206 NH2 ARG B 103 22.217 -8.689 5.428 1.00 79.01 N +ANISOU 2206 NH2 ARG B 103 9193 10826 10001 3204 1690 -2472 N +ATOM 2207 N ALA B 104 23.070 -3.845 8.780 1.00 57.44 N +ANISOU 2207 N ALA B 104 5628 8508 7688 2255 1504 -1432 N +ATOM 2208 CA ALA B 104 23.507 -3.392 10.082 1.00 53.64 C +ANISOU 2208 CA ALA B 104 4944 7982 7455 2221 1299 -1286 C +ATOM 2209 C ALA B 104 23.372 -1.890 10.116 1.00 50.78 C +ANISOU 2209 C ALA B 104 4520 7769 7005 1885 1366 -1062 C +ATOM 2210 O ALA B 104 23.036 -1.303 11.148 1.00 48.35 O +ANISOU 2210 O ALA B 104 4244 7348 6779 1754 1152 -883 O +ATOM 2211 CB ALA B 104 24.933 -3.807 10.340 1.00 59.79 C +ANISOU 2211 CB ALA B 104 5324 8880 8512 2452 1343 -1435 C +ATOM 2212 N GLN B 105 23.627 -1.267 8.974 1.00 56.13 N +ANISOU 2212 N GLN B 105 5119 8701 7506 1740 1657 -1075 N +ATOM 2213 CA GLN B 105 23.527 0.174 8.876 1.00 56.80 C +ANISOU 2213 CA GLN B 105 5146 8925 7511 1407 1712 -857 C +ATOM 2214 C GLN B 105 22.079 0.628 9.094 1.00 50.65 C +ANISOU 2214 C GLN B 105 4732 7927 6585 1208 1536 -687 C +ATOM 2215 O GLN B 105 21.813 1.570 9.864 1.00 47.64 O +ANISOU 2215 O GLN B 105 4338 7487 6276 1024 1382 -503 O +ATOM 2216 CB GLN B 105 24.056 0.649 7.523 1.00 65.75 C +ANISOU 2216 CB GLN B 105 6147 10378 8458 1277 2055 -899 C +ATOM 2217 CG GLN B 105 24.242 2.150 7.448 1.00 63.81 C +ANISOU 2217 CG GLN B 105 5761 10300 8184 935 2099 -667 C +ATOM 2218 CD GLN B 105 25.217 2.662 8.506 1.00 94.55 C +ANISOU 2218 CD GLN B 105 9304 14245 12376 939 1979 -583 C +ATOM 2219 OE1 GLN B 105 26.383 2.250 8.537 1.00103.91 O +ANISOU 2219 OE1 GLN B 105 10155 15593 13732 1113 2092 -705 O +ATOM 2220 NE2 GLN B 105 24.742 3.556 9.384 1.00 83.70 N +ANISOU 2220 NE2 GLN B 105 8003 12725 11075 752 1741 -382 N +ATOM 2221 N ALA B 106 21.149 -0.065 8.438 1.00 48.00 N +ANISOU 2221 N ALA B 106 4716 7462 6061 1256 1548 -758 N +ATOM 2222 CA ALA B 106 19.730 0.253 8.547 1.00 46.85 C +ANISOU 2222 CA ALA B 106 4907 7105 5790 1085 1390 -607 C +ATOM 2223 C ALA B 106 19.230 0.054 9.979 1.00 40.92 C +ANISOU 2223 C ALA B 106 4228 6114 5208 1147 1097 -526 C +ATOM 2224 O ALA B 106 18.479 0.876 10.479 1.00 41.62 O +ANISOU 2224 O ALA B 106 4415 6110 5288 955 974 -358 O +ATOM 2225 CB ALA B 106 18.918 -0.579 7.579 1.00 47.16 C +ANISOU 2225 CB ALA B 106 5259 7044 5616 1144 1440 -707 C +ATOM 2226 N PHE B 107 19.664 -1.016 10.643 1.00 41.78 N +ANISOU 2226 N PHE B 107 4280 6125 5471 1408 981 -646 N +ATOM 2227 CA PHE B 107 19.321 -1.208 12.051 1.00 42.09 C +ANISOU 2227 CA PHE B 107 4370 5967 5656 1448 704 -560 C +ATOM 2228 C PHE B 107 19.773 -0.028 12.917 1.00 42.33 C +ANISOU 2228 C PHE B 107 4197 6081 5805 1286 642 -421 C +ATOM 2229 O PHE B 107 19.041 0.452 13.777 1.00 37.47 O +ANISOU 2229 O PHE B 107 3704 5339 5192 1164 475 -291 O +ATOM 2230 CB PHE B 107 19.983 -2.457 12.601 1.00 41.61 C +ANISOU 2230 CB PHE B 107 4224 5815 5770 1739 580 -701 C +ATOM 2231 CG PHE B 107 19.932 -2.532 14.089 1.00 42.05 C +ANISOU 2231 CG PHE B 107 4272 5725 5981 1753 304 -599 C +ATOM 2232 CD1 PHE B 107 18.719 -2.735 14.748 1.00 37.82 C +ANISOU 2232 CD1 PHE B 107 4021 4983 5368 1679 112 -484 C +ATOM 2233 CD2 PHE B 107 21.064 -2.368 14.829 1.00 41.78 C +ANISOU 2233 CD2 PHE B 107 3950 5768 6156 1818 238 -607 C +ATOM 2234 CE1 PHE B 107 18.657 -2.791 16.105 1.00 42.25 C +ANISOU 2234 CE1 PHE B 107 4590 5434 6030 1670 -124 -390 C +ATOM 2235 CE2 PHE B 107 21.009 -2.428 16.209 1.00 45.47 C +ANISOU 2235 CE2 PHE B 107 4438 6101 6737 1809 -30 -507 C +ATOM 2236 CZ PHE B 107 19.812 -2.643 16.851 1.00 38.41 C +ANISOU 2236 CZ PHE B 107 3840 5019 5735 1733 -204 -403 C +ATOM 2237 N SER B 108 21.004 0.412 12.710 1.00 41.35 N +ANISOU 2237 N SER B 108 3753 6171 5786 1290 773 -458 N +ATOM 2238 CA SER B 108 21.529 1.535 13.464 1.00 41.01 C +ANISOU 2238 CA SER B 108 3509 6207 5867 1132 701 -328 C +ATOM 2239 C SER B 108 20.698 2.815 13.199 1.00 38.98 C +ANISOU 2239 C SER B 108 3383 5954 5473 837 722 -169 C +ATOM 2240 O SER B 108 20.391 3.570 14.108 1.00 37.35 O +ANISOU 2240 O SER B 108 3203 5664 5324 713 558 -56 O +ATOM 2241 CB SER B 108 22.998 1.761 13.103 1.00 44.14 C +ANISOU 2241 CB SER B 108 3522 6850 6399 1174 859 -386 C +ATOM 2242 OG SER B 108 23.593 2.624 14.040 1.00 50.48 O +ANISOU 2242 OG SER B 108 4129 7684 7369 1064 721 -269 O +ATOM 2243 N GLU B 109 20.360 3.045 11.937 1.00 39.36 N +ANISOU 2243 N GLU B 109 3516 6097 5344 728 915 -170 N +ATOM 2244 CA GLU B 109 19.559 4.199 11.554 1.00 37.77 C +ANISOU 2244 CA GLU B 109 3443 5880 5028 451 918 -18 C +ATOM 2245 C GLU B 109 18.152 4.113 12.174 1.00 43.68 C +ANISOU 2245 C GLU B 109 4492 6369 5735 424 729 43 C +ATOM 2246 O GLU B 109 17.609 5.152 12.609 1.00 34.72 O +ANISOU 2246 O GLU B 109 3401 5166 4625 240 624 166 O +ATOM 2247 CB GLU B 109 19.528 4.350 10.029 1.00 39.21 C +ANISOU 2247 CB GLU B 109 3667 6217 5013 336 1151 -28 C +ATOM 2248 CG GLU B 109 20.893 4.815 9.466 1.00 42.26 C +ANISOU 2248 CG GLU B 109 3718 6904 5435 278 1352 -40 C +ATOM 2249 CD GLU B 109 21.029 4.606 7.981 1.00 47.70 C +ANISOU 2249 CD GLU B 109 4439 7782 5901 227 1619 -104 C +ATOM 2250 OE1 GLU B 109 20.011 4.292 7.349 1.00 46.86 O +ANISOU 2250 OE1 GLU B 109 4637 7559 5608 191 1622 -111 O +ATOM 2251 OE2 GLU B 109 22.151 4.739 7.446 1.00 53.11 O +ANISOU 2251 OE2 GLU B 109 4847 8740 6592 217 1827 -148 O +ATOM 2252 N TRP B 110 17.601 2.890 12.259 1.00 34.29 N +ANISOU 2252 N TRP B 110 3490 5037 4501 610 678 -45 N +ATOM 2253 CA TRP B 110 16.314 2.656 12.929 1.00 31.81 C +ANISOU 2253 CA TRP B 110 3433 4493 4160 599 502 15 C +ATOM 2254 C TRP B 110 16.373 3.148 14.367 1.00 32.64 C +ANISOU 2254 C TRP B 110 3465 4537 4398 574 325 78 C +ATOM 2255 O TRP B 110 15.519 3.914 14.814 1.00 32.02 O +ANISOU 2255 O TRP B 110 3490 4366 4308 429 240 172 O +ATOM 2256 CB TRP B 110 15.891 1.170 12.924 1.00 32.97 C +ANISOU 2256 CB TRP B 110 3761 4500 4268 810 442 -79 C +ATOM 2257 CG TRP B 110 14.426 1.056 13.166 1.00 32.13 C +ANISOU 2257 CG TRP B 110 3927 4193 4088 736 319 12 C +ATOM 2258 CD1 TRP B 110 13.439 0.963 12.223 1.00 38.42 C +ANISOU 2258 CD1 TRP B 110 4941 4910 4749 652 360 46 C +ATOM 2259 CD2 TRP B 110 13.770 1.049 14.430 1.00 30.96 C +ANISOU 2259 CD2 TRP B 110 3854 3910 4000 725 138 86 C +ATOM 2260 NE1 TRP B 110 12.216 0.899 12.824 1.00 31.71 N +ANISOU 2260 NE1 TRP B 110 4270 3880 3897 597 215 141 N +ATOM 2261 CE2 TRP B 110 12.381 0.964 14.175 1.00 33.33 C +ANISOU 2261 CE2 TRP B 110 4392 4062 4211 638 93 164 C +ATOM 2262 CE3 TRP B 110 14.214 1.106 15.751 1.00 27.85 C +ANISOU 2262 CE3 TRP B 110 3353 3511 3716 770 8 98 C +ATOM 2263 CZ2 TRP B 110 11.442 0.957 15.173 1.00 30.01 C +ANISOU 2263 CZ2 TRP B 110 4079 3514 3809 598 -46 245 C +ATOM 2264 CZ3 TRP B 110 13.271 1.103 16.753 1.00 27.56 C +ANISOU 2264 CZ3 TRP B 110 3454 3349 3668 721 -134 175 C +ATOM 2265 CH2 TRP B 110 11.898 1.020 16.464 1.00 29.24 C +ANISOU 2265 CH2 TRP B 110 3880 3437 3793 640 -147 245 C +ATOM 2266 N CYS B 111 17.420 2.741 15.071 1.00 32.06 N +ANISOU 2266 N CYS B 111 3207 4519 4457 714 268 18 N +ATOM 2267 CA CYS B 111 17.628 3.141 16.458 1.00 31.49 C +ANISOU 2267 CA CYS B 111 3069 4399 4497 693 88 67 C +ATOM 2268 C CYS B 111 17.866 4.644 16.610 1.00 31.27 C +ANISOU 2268 C CYS B 111 2916 4452 4515 484 89 154 C +ATOM 2269 O CYS B 111 17.377 5.266 17.545 1.00 30.01 O +ANISOU 2269 O CYS B 111 2826 4204 4372 395 -47 209 O +ATOM 2270 CB CYS B 111 18.806 2.356 17.057 1.00 33.40 C +ANISOU 2270 CB CYS B 111 3125 4679 4887 884 10 -9 C +ATOM 2271 SG CYS B 111 18.388 0.616 17.248 1.00 36.29 S +ANISOU 2271 SG CYS B 111 3678 4878 5234 1120 -96 -91 S +ATOM 2272 N GLU B 112 18.641 5.224 15.709 1.00 32.77 N +ANISOU 2272 N GLU B 112 2917 4811 4723 403 238 164 N +ATOM 2273 CA GLU B 112 18.835 6.666 15.745 1.00 32.74 C +ANISOU 2273 CA GLU B 112 2805 4867 4768 182 217 265 C +ATOM 2274 C GLU B 112 17.490 7.381 15.552 1.00 36.37 C +ANISOU 2274 C GLU B 112 3490 5194 5133 19 183 339 C +ATOM 2275 O GLU B 112 17.140 8.312 16.296 1.00 31.48 O +ANISOU 2275 O GLU B 112 2897 4493 4573 -96 49 391 O +ATOM 2276 CB GLU B 112 19.823 7.096 14.660 1.00 34.94 C +ANISOU 2276 CB GLU B 112 2853 5367 5058 97 399 285 C +ATOM 2277 CG GLU B 112 20.146 8.580 14.660 1.00 51.01 C +ANISOU 2277 CG GLU B 112 4756 7466 7161 -149 352 411 C +ATOM 2278 CD GLU B 112 21.193 8.912 13.626 1.00 56.54 C +ANISOU 2278 CD GLU B 112 5205 8413 7866 -243 538 447 C +ATOM 2279 OE1 GLU B 112 21.545 8.024 12.804 1.00 61.81 O +ANISOU 2279 OE1 GLU B 112 5825 9206 8452 -119 735 356 O +ATOM 2280 OE2 GLU B 112 21.678 10.056 13.652 1.00 61.90 O +ANISOU 2280 OE2 GLU B 112 5730 9161 8626 -444 486 564 O +ATOM 2281 N GLY B 113 16.731 6.950 14.555 1.00 33.46 N +ANISOU 2281 N GLY B 113 3287 4795 4632 13 292 334 N +ATOM 2282 CA GLY B 113 15.419 7.531 14.339 1.00 31.91 C +ANISOU 2282 CA GLY B 113 3295 4455 4374 -128 244 407 C +ATOM 2283 C GLY B 113 14.536 7.396 15.590 1.00 31.10 C +ANISOU 2283 C GLY B 113 3332 4179 4306 -70 85 395 C +ATOM 2284 O GLY B 113 13.878 8.353 16.042 1.00 31.39 O +ANISOU 2284 O GLY B 113 3416 4122 4387 -193 -7 442 O +ATOM 2285 N PHE B 114 14.553 6.212 16.175 1.00 29.46 N +ANISOU 2285 N PHE B 114 3182 3932 4079 116 49 328 N +ATOM 2286 CA PHE B 114 13.695 5.914 17.311 1.00 28.92 C +ANISOU 2286 CA PHE B 114 3259 3727 4005 162 -81 327 C +ATOM 2287 C PHE B 114 14.015 6.827 18.501 1.00 29.79 C +ANISOU 2287 C PHE B 114 3278 3840 4199 99 -201 330 C +ATOM 2288 O PHE B 114 13.129 7.481 19.075 1.00 24.50 O +ANISOU 2288 O PHE B 114 2704 3078 3528 16 -265 346 O +ATOM 2289 CB PHE B 114 13.803 4.446 17.716 1.00 25.47 C +ANISOU 2289 CB PHE B 114 2890 3252 3536 356 -126 274 C +ATOM 2290 CG PHE B 114 12.952 4.102 18.918 1.00 27.69 C +ANISOU 2290 CG PHE B 114 3318 3417 3786 377 -258 294 C +ATOM 2291 CD1 PHE B 114 13.522 3.950 20.155 1.00 27.59 C +ANISOU 2291 CD1 PHE B 114 3250 3419 3814 429 -384 277 C +ATOM 2292 CD2 PHE B 114 11.567 4.000 18.807 1.00 24.86 C +ANISOU 2292 CD2 PHE B 114 3145 2944 3356 324 -257 341 C +ATOM 2293 CE1 PHE B 114 12.744 3.682 21.256 1.00 29.27 C +ANISOU 2293 CE1 PHE B 114 3603 3554 3964 421 -491 301 C +ATOM 2294 CE2 PHE B 114 10.785 3.733 19.904 1.00 29.37 C +ANISOU 2294 CE2 PHE B 114 3829 3441 3888 325 -351 365 C +ATOM 2295 CZ PHE B 114 11.370 3.576 21.124 1.00 31.97 C +ANISOU 2295 CZ PHE B 114 4115 3806 4228 369 -460 344 C +ATOM 2296 N THR B 115 15.287 6.903 18.849 1.00 28.78 N +ANISOU 2296 N THR B 115 2963 3818 4156 138 -233 308 N +ATOM 2297 CA THR B 115 15.690 7.714 19.995 1.00 31.04 C +ANISOU 2297 CA THR B 115 3176 4100 4518 79 -373 308 C +ATOM 2298 C THR B 115 15.482 9.207 19.725 1.00 32.96 C +ANISOU 2298 C THR B 115 3379 4332 4814 -111 -382 351 C +ATOM 2299 O THR B 115 15.135 9.959 20.638 1.00 28.69 O +ANISOU 2299 O THR B 115 2886 3717 4298 -173 -498 334 O +ATOM 2300 CB THR B 115 17.148 7.438 20.414 1.00 34.19 C +ANISOU 2300 CB THR B 115 3369 4602 5020 156 -434 289 C +ATOM 2301 OG1 THR B 115 18.012 7.765 19.337 1.00 34.80 O +ANISOU 2301 OG1 THR B 115 3247 4815 5160 112 -310 312 O +ATOM 2302 CG2 THR B 115 17.336 5.971 20.809 1.00 36.56 C +ANISOU 2302 CG2 THR B 115 3715 4876 5299 349 -476 244 C +ATOM 2303 N GLN B 116 15.656 9.638 18.476 1.00 33.62 N +ANISOU 2303 N GLN B 116 3388 4480 4908 -208 -270 404 N +ATOM 2304 CA GLN B 116 15.316 11.019 18.125 1.00 35.25 C +ANISOU 2304 CA GLN B 116 3583 4641 5170 -404 -307 466 C +ATOM 2305 C GLN B 116 13.807 11.320 18.279 1.00 32.64 C +ANISOU 2305 C GLN B 116 3455 4140 4807 -443 -345 458 C +ATOM 2306 O GLN B 116 13.442 12.356 18.806 1.00 29.01 O +ANISOU 2306 O GLN B 116 3009 3590 4424 -534 -454 450 O +ATOM 2307 CB GLN B 116 15.814 11.361 16.714 1.00 30.80 C +ANISOU 2307 CB GLN B 116 2909 4195 4600 -527 -185 547 C +ATOM 2308 CG GLN B 116 17.310 11.544 16.715 1.00 44.10 C +ANISOU 2308 CG GLN B 116 4339 6050 6368 -543 -173 568 C +ATOM 2309 CD GLN B 116 17.734 12.720 17.620 1.00 52.22 C +ANISOU 2309 CD GLN B 116 5273 7034 7535 -656 -361 598 C +ATOM 2310 OE1 GLN B 116 18.051 12.559 18.816 1.00 49.80 O +ANISOU 2310 OE1 GLN B 116 4954 6691 7278 -563 -485 538 O +ATOM 2311 NE2 GLN B 116 17.702 13.903 17.051 1.00 41.93 N +ANISOU 2311 NE2 GLN B 116 3924 5718 6288 -865 -403 693 N +ATOM 2312 N GLY B 117 12.956 10.406 17.816 1.00 29.55 N +ANISOU 2312 N GLY B 117 3211 3700 4317 -369 -261 455 N +ATOM 2313 CA GLY B 117 11.515 10.492 17.994 1.00 28.09 C +ANISOU 2313 CA GLY B 117 3197 3363 4114 -384 -288 452 C +ATOM 2314 C GLY B 117 11.093 10.620 19.447 1.00 26.83 C +ANISOU 2314 C GLY B 117 3087 3140 3966 -328 -383 377 C +ATOM 2315 O GLY B 117 10.286 11.481 19.812 1.00 23.49 O +ANISOU 2315 O GLY B 117 2707 2614 3604 -395 -439 353 O +ATOM 2316 N LEU B 118 11.650 9.779 20.299 1.00 25.86 N +ANISOU 2316 N LEU B 118 2959 3080 3788 -206 -407 333 N +ATOM 2317 CA LEU B 118 11.352 9.899 21.714 1.00 31.96 C +ANISOU 2317 CA LEU B 118 3789 3818 4534 -174 -498 265 C +ATOM 2318 C LEU B 118 11.723 11.302 22.187 1.00 25.33 C +ANISOU 2318 C LEU B 118 2867 2961 3796 -277 -595 224 C +ATOM 2319 O LEU B 118 10.928 11.972 22.867 1.00 26.43 O +ANISOU 2319 O LEU B 118 3077 3018 3945 -308 -638 158 O +ATOM 2320 CB LEU B 118 12.115 8.888 22.526 1.00 27.64 C +ANISOU 2320 CB LEU B 118 3236 3342 3923 -59 -550 246 C +ATOM 2321 CG LEU B 118 11.574 7.456 22.552 1.00 25.93 C +ANISOU 2321 CG LEU B 118 3146 3106 3601 51 -517 269 C +ATOM 2322 CD1 LEU B 118 12.516 6.608 23.396 1.00 29.56 C +ANISOU 2322 CD1 LEU B 118 3576 3619 4035 148 -618 258 C +ATOM 2323 CD2 LEU B 118 10.131 7.414 23.053 1.00 23.84 C +ANISOU 2323 CD2 LEU B 118 3037 2762 3261 26 -499 265 C +ATOM 2324 N THR B 119 12.943 11.732 21.857 1.00 24.72 N +ANISOU 2324 N THR B 119 2633 2960 3798 -325 -633 258 N +ATOM 2325 CA THR B 119 13.426 13.020 22.377 1.00 28.51 C +ANISOU 2325 CA THR B 119 3035 3413 4383 -428 -765 230 C +ATOM 2326 C THR B 119 12.496 14.170 21.928 1.00 30.90 C +ANISOU 2326 C THR B 119 3379 3587 4773 -544 -787 227 C +ATOM 2327 O THR B 119 12.076 15.036 22.713 1.00 28.96 O +ANISOU 2327 O THR B 119 3180 3246 4577 -573 -889 139 O +ATOM 2328 CB THR B 119 14.893 13.307 21.943 1.00 27.59 C +ANISOU 2328 CB THR B 119 2715 3407 4360 -486 -802 299 C +ATOM 2329 OG1 THR B 119 15.756 12.273 22.438 1.00 29.88 O +ANISOU 2329 OG1 THR B 119 2949 3795 4610 -364 -808 290 O +ATOM 2330 CG2 THR B 119 15.373 14.609 22.491 1.00 28.21 C +ANISOU 2330 CG2 THR B 119 2725 3439 4555 -602 -970 285 C +ATOM 2331 N ILE B 120 12.172 14.165 20.647 1.00 30.30 N +ANISOU 2331 N ILE B 120 3293 3501 4718 -608 -701 317 N +ATOM 2332 CA ILE B 120 11.267 15.174 20.081 1.00 29.22 C +ANISOU 2332 CA ILE B 120 3195 3224 4684 -726 -743 340 C +ATOM 2333 C ILE B 120 9.878 15.174 20.758 1.00 25.93 C +ANISOU 2333 C ILE B 120 2913 2679 4262 -656 -742 241 C +ATOM 2334 O ILE B 120 9.218 16.204 20.907 1.00 25.97 O +ANISOU 2334 O ILE B 120 2932 2546 4390 -715 -830 191 O +ATOM 2335 CB ILE B 120 11.041 14.902 18.605 1.00 33.70 C +ANISOU 2335 CB ILE B 120 3768 3806 5229 -801 -646 462 C +ATOM 2336 CG1 ILE B 120 12.299 15.199 17.810 1.00 33.36 C +ANISOU 2336 CG1 ILE B 120 3573 3895 5206 -913 -635 562 C +ATOM 2337 CG2 ILE B 120 9.877 15.745 18.083 1.00 35.33 C +ANISOU 2337 CG2 ILE B 120 4046 3836 5544 -907 -709 491 C +ATOM 2338 CD1 ILE B 120 12.514 16.657 17.597 1.00 44.06 C +ANISOU 2338 CD1 ILE B 120 4852 5175 6714 -1100 -786 621 C +ATOM 2339 N ALA B 121 9.415 13.999 21.112 1.00 26.28 N +ANISOU 2339 N ALA B 121 3047 2766 4173 -534 -643 217 N +ATOM 2340 CA ALA B 121 8.145 13.882 21.806 1.00 30.84 C +ANISOU 2340 CA ALA B 121 3730 3262 4727 -472 -617 135 C +ATOM 2341 C ALA B 121 8.277 14.129 23.319 1.00 31.30 C +ANISOU 2341 C ALA B 121 3813 3346 4735 -415 -674 -5 C +ATOM 2342 O ALA B 121 7.346 13.894 24.054 1.00 33.86 O +ANISOU 2342 O ALA B 121 4219 3651 4997 -357 -625 -83 O +ATOM 2343 CB ALA B 121 7.632 12.584 21.575 1.00 28.45 C +ANISOU 2343 CB ALA B 121 3510 2995 4304 -393 -510 187 C +ATOM 2344 N GLY B 122 9.431 14.580 23.786 1.00 29.99 N +ANISOU 2344 N GLY B 122 3579 3231 4584 -440 -776 -31 N +ATOM 2345 CA GLY B 122 9.581 14.955 25.187 1.00 31.92 C +ANISOU 2345 CA GLY B 122 3868 3484 4775 -408 -858 -169 C +ATOM 2346 C GLY B 122 9.861 13.796 26.136 1.00 31.19 C +ANISOU 2346 C GLY B 122 3852 3509 4491 -320 -831 -181 C +ATOM 2347 O GLY B 122 9.637 13.896 27.336 1.00 32.37 O +ANISOU 2347 O GLY B 122 4087 3674 4536 -295 -865 -294 O +ATOM 2348 N VAL B 123 10.376 12.698 25.601 1.00 30.47 N +ANISOU 2348 N VAL B 123 3734 3495 4348 -278 -783 -68 N +ATOM 2349 CA VAL B 123 10.686 11.541 26.429 1.00 27.15 C +ANISOU 2349 CA VAL B 123 3383 3161 3772 -200 -795 -58 C +ATOM 2350 C VAL B 123 12.176 11.231 26.498 1.00 29.89 C +ANISOU 2350 C VAL B 123 3627 3582 4150 -184 -896 -8 C +ATOM 2351 O VAL B 123 12.787 10.858 25.505 1.00 27.57 O +ANISOU 2351 O VAL B 123 3225 3321 3929 -167 -855 75 O +ATOM 2352 CB VAL B 123 9.974 10.302 25.914 1.00 25.37 C +ANISOU 2352 CB VAL B 123 3227 2944 3469 -136 -682 22 C +ATOM 2353 CG1 VAL B 123 10.502 9.041 26.598 1.00 26.40 C +ANISOU 2353 CG1 VAL B 123 3412 3146 3473 -62 -736 62 C +ATOM 2354 CG2 VAL B 123 8.469 10.468 26.113 1.00 26.16 C +ANISOU 2354 CG2 VAL B 123 3423 2986 3530 -148 -593 -22 C +ATOM 2355 N GLY B 124 12.733 11.353 27.692 1.00 28.67 N +ANISOU 2355 N GLY B 124 3505 3455 3932 -189 -1027 -63 N +ATOM 2356 CA GLY B 124 14.071 10.864 27.971 1.00 33.54 C +ANISOU 2356 CA GLY B 124 4033 4133 4575 -162 -1148 -10 C +ATOM 2357 C GLY B 124 14.091 9.998 29.220 1.00 40.14 C +ANISOU 2357 C GLY B 124 5005 5002 5245 -122 -1241 -22 C +ATOM 2358 O GLY B 124 13.035 9.570 29.710 1.00 36.08 O +ANISOU 2358 O GLY B 124 4647 4485 4575 -112 -1173 -49 O +ATOM 2359 N MET B 125 15.288 9.761 29.749 1.00 40.90 N +ANISOU 2359 N MET B 125 5034 5128 5377 -115 -1406 11 N +ATOM 2360 CA MET B 125 15.494 8.798 30.832 1.00 40.65 C +ANISOU 2360 CA MET B 125 5120 5120 5206 -88 -1535 37 C +ATOM 2361 C MET B 125 14.508 8.962 31.985 1.00 39.65 C +ANISOU 2361 C MET B 125 5216 4998 4849 -146 -1536 -42 C +ATOM 2362 O MET B 125 13.936 7.995 32.456 1.00 38.20 O +ANISOU 2362 O MET B 125 5168 4841 4507 -129 -1521 -1 O +ATOM 2363 CB MET B 125 16.916 8.908 31.383 1.00 46.83 C +ANISOU 2363 CB MET B 125 5799 5912 6084 -105 -1756 67 C +ATOM 2364 CG MET B 125 17.957 8.380 30.439 1.00 50.98 C +ANISOU 2364 CG MET B 125 6095 6459 6815 -24 -1756 150 C +ATOM 2365 SD MET B 125 17.870 6.579 30.245 1.00 47.71 S +ANISOU 2365 SD MET B 125 5720 6042 6367 118 -1745 224 S +ATOM 2366 CE MET B 125 19.004 6.396 28.861 1.00 59.27 C +ANISOU 2366 CE MET B 125 6875 7549 8095 217 -1666 257 C +ATOM 2367 N GLU B 126 14.321 10.192 32.423 1.00 37.90 N +ANISOU 2367 N GLU B 126 5030 4757 4614 -219 -1554 -157 N +ATOM 2368 CA GLU B 126 13.503 10.508 33.586 1.00 38.77 C +ANISOU 2368 CA GLU B 126 5339 4890 4502 -273 -1549 -271 C +ATOM 2369 C GLU B 126 11.988 10.264 33.420 1.00 37.56 C +ANISOU 2369 C GLU B 126 5277 4757 4237 -253 -1329 -308 C +ATOM 2370 O GLU B 126 11.269 10.185 34.423 1.00 37.48 O +ANISOU 2370 O GLU B 126 5428 4806 4007 -292 -1294 -380 O +ATOM 2371 CB GLU B 126 13.748 11.976 34.006 1.00 38.92 C +ANISOU 2371 CB GLU B 126 5360 4860 4570 -338 -1637 -414 C +ATOM 2372 CG GLU B 126 15.130 12.229 34.579 1.00 50.43 C +ANISOU 2372 CG GLU B 126 6779 6303 6080 -387 -1892 -386 C +ATOM 2373 CD GLU B 126 15.667 11.047 35.405 1.00 77.95 C +ANISOU 2373 CD GLU B 126 10353 9843 9420 -389 -2033 -287 C +ATOM 2374 OE1 GLU B 126 16.667 10.401 34.985 1.00 75.55 O +ANISOU 2374 OE1 GLU B 126 9903 9534 9267 -350 -2137 -156 O +ATOM 2375 OE2 GLU B 126 15.089 10.760 36.480 1.00 75.98 O +ANISOU 2375 OE2 GLU B 126 10315 9644 8908 -434 -2045 -340 O +ATOM 2376 N GLN B 127 11.502 10.151 32.185 1.00 30.57 N +ANISOU 2376 N GLN B 127 4289 3832 3494 -205 -1183 -255 N +ATOM 2377 CA GLN B 127 10.084 9.869 31.960 1.00 34.28 C +ANISOU 2377 CA GLN B 127 4824 4308 3892 -190 -995 -266 C +ATOM 2378 C GLN B 127 9.717 8.402 32.150 1.00 34.05 C +ANISOU 2378 C GLN B 127 4886 4332 3719 -167 -972 -141 C +ATOM 2379 O GLN B 127 8.528 8.054 32.158 1.00 34.95 O +ANISOU 2379 O GLN B 127 5066 4467 3747 -173 -834 -131 O +ATOM 2380 CB GLN B 127 9.650 10.308 30.549 1.00 28.02 C +ANISOU 2380 CB GLN B 127 3908 3434 3305 -165 -878 -244 C +ATOM 2381 CG GLN B 127 9.406 11.829 30.425 1.00 37.21 C +ANISOU 2381 CG GLN B 127 5018 4521 4597 -204 -873 -379 C +ATOM 2382 CD GLN B 127 10.687 12.626 30.638 1.00 34.32 C +ANISOU 2382 CD GLN B 127 4584 4136 4322 -244 -1049 -411 C +ATOM 2383 OE1 GLN B 127 11.681 12.435 29.925 1.00 35.76 O +ANISOU 2383 OE1 GLN B 127 4644 4319 4624 -244 -1111 -304 O +ATOM 2384 NE2 GLN B 127 10.680 13.495 31.630 1.00 38.70 N +ANISOU 2384 NE2 GLN B 127 5212 4675 4817 -279 -1129 -560 N +ATOM 2385 N PHE B 128 10.726 7.539 32.292 1.00 32.69 N +ANISOU 2385 N PHE B 128 4706 4171 3542 -144 -1122 -39 N +ATOM 2386 CA PHE B 128 10.479 6.108 32.371 1.00 31.34 C +ANISOU 2386 CA PHE B 128 4617 4017 3274 -119 -1144 93 C +ATOM 2387 C PHE B 128 10.401 5.691 33.814 1.00 34.12 C +ANISOU 2387 C PHE B 128 5138 4446 3381 -199 -1250 105 C +ATOM 2388 O PHE B 128 11.239 6.090 34.632 1.00 34.16 O +ANISOU 2388 O PHE B 128 5171 4472 3337 -243 -1404 60 O +ATOM 2389 CB PHE B 128 11.580 5.322 31.638 1.00 29.65 C +ANISOU 2389 CB PHE B 128 4292 3755 3219 -31 -1255 190 C +ATOM 2390 CG PHE B 128 11.451 5.364 30.147 1.00 29.88 C +ANISOU 2390 CG PHE B 128 4195 3730 3426 40 -1122 205 C +ATOM 2391 CD1 PHE B 128 10.441 4.692 29.518 1.00 32.76 C +ANISOU 2391 CD1 PHE B 128 4618 4063 3765 65 -1007 263 C +ATOM 2392 CD2 PHE B 128 12.321 6.153 29.379 1.00 36.77 C +ANISOU 2392 CD2 PHE B 128 4897 4591 4482 59 -1116 167 C +ATOM 2393 CE1 PHE B 128 10.295 4.761 28.153 1.00 33.77 C +ANISOU 2393 CE1 PHE B 128 4659 4140 4031 113 -895 275 C +ATOM 2394 CE2 PHE B 128 12.188 6.226 28.024 1.00 32.25 C +ANISOU 2394 CE2 PHE B 128 4229 3988 4037 98 -990 185 C +ATOM 2395 CZ PHE B 128 11.184 5.520 27.397 1.00 30.51 C +ANISOU 2395 CZ PHE B 128 4088 3729 3775 128 -882 235 C +ATOM 2396 N TYR B 129 9.407 4.876 34.146 1.00 31.92 N +ANISOU 2396 N TYR B 129 4980 4213 2937 -237 -1182 178 N +ATOM 2397 CA TYR B 129 9.243 4.434 35.537 1.00 33.84 C +ANISOU 2397 CA TYR B 129 5401 4553 2904 -346 -1272 211 C +ATOM 2398 C TYR B 129 10.181 3.267 35.908 1.00 39.93 C +ANISOU 2398 C TYR B 129 6225 5290 3655 -350 -1527 365 C +ATOM 2399 O TYR B 129 10.710 3.209 37.023 1.00 42.33 O +ANISOU 2399 O TYR B 129 6643 5641 3799 -438 -1698 377 O +ATOM 2400 CB TYR B 129 7.786 4.042 35.795 1.00 34.56 C +ANISOU 2400 CB TYR B 129 5586 4726 2820 -410 -1096 246 C +ATOM 2401 CG TYR B 129 7.499 3.629 37.220 1.00 42.52 C +ANISOU 2401 CG TYR B 129 6782 5868 3504 -552 -1152 284 C +ATOM 2402 CD1 TYR B 129 7.773 2.339 37.663 1.00 44.01 C +ANISOU 2402 CD1 TYR B 129 7081 6059 3582 -614 -1340 478 C +ATOM 2403 CD2 TYR B 129 6.944 4.530 38.124 1.00 46.16 C +ANISOU 2403 CD2 TYR B 129 7317 6456 3766 -629 -1023 123 C +ATOM 2404 CE1 TYR B 129 7.512 1.957 39.012 1.00 56.01 C +ANISOU 2404 CE1 TYR B 129 8793 7716 4771 -780 -1406 536 C +ATOM 2405 CE2 TYR B 129 6.670 4.162 39.449 1.00 49.43 C +ANISOU 2405 CE2 TYR B 129 7918 7023 3840 -779 -1056 153 C +ATOM 2406 CZ TYR B 129 6.957 2.884 39.889 1.00 54.36 C +ANISOU 2406 CZ TYR B 129 8660 7659 4335 -867 -1248 372 C +ATOM 2407 OH TYR B 129 6.687 2.546 41.204 1.00 63.84 O +ANISOU 2407 OH TYR B 129 10059 9022 5176 -1045 -1289 419 O +ATOM 2408 N GLU B 130 10.403 2.340 34.983 1.00 36.04 N +ANISOU 2408 N GLU B 130 5659 4705 3331 -254 -1570 476 N +ATOM 2409 CA GLU B 130 11.226 1.173 35.307 1.00 39.70 C +ANISOU 2409 CA GLU B 130 6165 5110 3809 -239 -1827 615 C +ATOM 2410 C GLU B 130 12.690 1.365 34.948 1.00 40.17 C +ANISOU 2410 C GLU B 130 6065 5096 4100 -141 -1982 584 C +ATOM 2411 O GLU B 130 13.043 1.913 33.898 1.00 35.01 O +ANISOU 2411 O GLU B 130 5237 4409 3657 -41 -1872 509 O +ATOM 2412 CB GLU B 130 10.665 -0.125 34.661 1.00 48.55 C +ANISOU 2412 CB GLU B 130 7317 6156 4972 -187 -1834 755 C +ATOM 2413 CG GLU B 130 10.172 -1.153 35.740 1.00 60.31 C +ANISOU 2413 CG GLU B 130 9011 7682 6221 -324 -1985 915 C +ATOM 2414 CD GLU B 130 11.176 -2.282 36.101 1.00 65.30 C +ANISOU 2414 CD GLU B 130 9633 8209 6968 -292 -2237 1011 C +ATOM 2415 OE1 GLU B 130 10.704 -3.460 36.195 1.00 60.69 O +ANISOU 2415 OE1 GLU B 130 9091 7573 6394 -317 -2243 1113 O +ATOM 2416 OE2 GLU B 130 12.405 -2.008 36.316 1.00 60.03 O +ANISOU 2416 OE2 GLU B 130 8891 7504 6414 -247 -2404 971 O +ATOM 2417 N GLU B 131 13.529 0.895 35.854 1.00 39.68 N +ANISOU 2417 N GLU B 131 6065 5018 3995 -186 -2247 655 N +ATOM 2418 CA GLU B 131 14.956 0.817 35.658 1.00 41.74 C +ANISOU 2418 CA GLU B 131 6170 5203 4488 -96 -2444 660 C +ATOM 2419 C GLU B 131 15.345 0.118 34.358 1.00 38.35 C +ANISOU 2419 C GLU B 131 5564 4681 4325 84 -2408 680 C +ATOM 2420 O GLU B 131 16.235 0.584 33.642 1.00 44.01 O +ANISOU 2420 O GLU B 131 6071 5383 5269 181 -2381 613 O +ATOM 2421 CB GLU B 131 15.545 0.073 36.853 1.00 53.60 C +ANISOU 2421 CB GLU B 131 7802 6674 5889 -182 -2767 779 C +ATOM 2422 CG GLU B 131 17.033 0.039 36.918 1.00 61.30 C +ANISOU 2422 CG GLU B 131 8612 7572 7108 -114 -2976 782 C +ATOM 2423 CD GLU B 131 17.509 -0.404 38.295 1.00 67.34 C +ANISOU 2423 CD GLU B 131 9502 8314 7771 -242 -3157 851 C +ATOM 2424 OE1 GLU B 131 17.752 -1.621 38.494 1.00 72.76 O +ANISOU 2424 OE1 GLU B 131 10203 8905 8536 -221 -3261 947 O +ATOM 2425 OE2 GLU B 131 17.607 0.478 39.179 1.00 68.22 O +ANISOU 2425 OE2 GLU B 131 9709 8493 7720 -370 -3200 801 O +ATOM 2426 N AGLU B 132 14.684 -1.001 34.074 0.63 42.40 N +ANISOU 2426 N AGLU B 132 6169 5138 4803 119 -2411 770 N +ATOM 2427 N BGLU B 132 14.686 -0.980 34.017 0.37 42.27 N +ANISOU 2427 N BGLU B 132 6144 5121 4795 125 -2401 766 N +ATOM 2428 CA AGLU B 132 14.888 -1.756 32.835 0.63 42.44 C +ANISOU 2428 CA AGLU B 132 6051 5049 5025 293 -2369 771 C +ATOM 2429 CA BGLU B 132 15.061 -1.684 32.794 0.37 41.73 C +ANISOU 2429 CA BGLU B 132 5933 4959 4964 305 -2375 760 C +ATOM 2430 C AGLU B 132 14.672 -0.886 31.594 0.63 37.42 C +ANISOU 2430 C AGLU B 132 5269 4454 4494 361 -2082 654 C +ATOM 2431 C BGLU B 132 14.624 -0.937 31.527 0.37 36.72 C +ANISOU 2431 C BGLU B 132 5182 4362 4408 367 -2075 655 C +ATOM 2432 O AGLU B 132 15.380 -1.024 30.599 0.63 36.06 O +ANISOU 2432 O AGLU B 132 4922 4248 4532 501 -2042 604 O +ATOM 2433 O BGLU B 132 15.134 -1.216 30.442 0.37 34.89 O +ANISOU 2433 O BGLU B 132 4801 4085 4370 511 -2018 613 O +ATOM 2434 CB AGLU B 132 13.948 -2.978 32.805 0.63 48.04 C +ANISOU 2434 CB AGLU B 132 6930 5688 5636 284 -2415 889 C +ATOM 2435 CB BGLU B 132 14.537 -3.123 32.783 0.37 45.52 C +ANISOU 2435 CB BGLU B 132 6545 5339 5411 332 -2485 877 C +ATOM 2436 CG AGLU B 132 13.686 -3.626 31.424 0.63 47.53 C +ANISOU 2436 CG AGLU B 132 6801 5532 5726 441 -2303 866 C +ATOM 2437 CG BGLU B 132 13.134 -3.290 32.219 0.37 48.37 C +ANISOU 2437 CG BGLU B 132 7020 5707 5650 302 -2293 906 C +ATOM 2438 CD AGLU B 132 12.379 -4.446 31.392 0.63 51.83 C +ANISOU 2438 CD AGLU B 132 7501 6049 6143 362 -2203 943 C +ATOM 2439 CD BGLU B 132 13.087 -4.309 31.098 0.37 50.95 C +ANISOU 2439 CD BGLU B 132 7296 5916 6145 449 -2250 898 C +ATOM 2440 OE1AGLU B 132 11.330 -3.903 30.980 0.63 47.55 O +ANISOU 2440 OE1AGLU B 132 7017 5554 5497 314 -2031 946 O +ATOM 2441 OE1BGLU B 132 12.301 -5.282 31.210 0.37 52.30 O +ANISOU 2441 OE1BGLU B 132 7577 6042 6254 392 -2226 965 O +ATOM 2442 OE2AGLU B 132 12.390 -5.639 31.773 0.63 44.35 O +ANISOU 2442 OE2AGLU B 132 6606 5028 5217 341 -2300 1000 O +ATOM 2443 OE2BGLU B 132 13.847 -4.137 30.113 0.37 48.72 O +ANISOU 2443 OE2BGLU B 132 6853 5598 6059 613 -2225 812 O +ATOM 2444 N SER B 133 13.677 -0.008 31.641 1.00 42.16 N +ANISOU 2444 N SER B 133 5940 5130 4950 258 -1886 610 N +ATOM 2445 CA SER B 133 13.360 0.834 30.491 1.00 31.17 C +ANISOU 2445 CA SER B 133 4432 3759 3651 295 -1644 521 C +ATOM 2446 C SER B 133 14.532 1.789 30.277 1.00 33.55 C +ANISOU 2446 C SER B 133 4538 4097 4112 318 -1655 441 C +ATOM 2447 O SER B 133 15.002 2.002 29.164 1.00 31.14 O +ANISOU 2447 O SER B 133 4069 3791 3972 400 -1550 400 O +ATOM 2448 CB SER B 133 12.088 1.648 30.720 1.00 32.62 C +ANISOU 2448 CB SER B 133 4718 3999 3677 179 -1468 485 C +ATOM 2449 OG SER B 133 10.985 0.778 30.775 1.00 31.40 O +ANISOU 2449 OG SER B 133 4710 3821 3401 153 -1438 573 O +ATOM 2450 N GLN B 134 15.030 2.318 31.375 1.00 32.54 N +ANISOU 2450 N GLN B 134 4435 4006 3924 233 -1796 429 N +ATOM 2451 CA GLN B 134 16.133 3.243 31.309 1.00 33.25 C +ANISOU 2451 CA GLN B 134 4346 4122 4164 230 -1844 372 C +ATOM 2452 C GLN B 134 17.391 2.596 30.755 1.00 36.97 C +ANISOU 2452 C GLN B 134 4618 4563 4866 360 -1946 400 C +ATOM 2453 O GLN B 134 18.108 3.226 29.984 1.00 34.82 O +ANISOU 2453 O GLN B 134 4137 4327 4766 395 -1867 358 O +ATOM 2454 CB GLN B 134 16.392 3.841 32.695 1.00 40.33 C +ANISOU 2454 CB GLN B 134 5345 5046 4932 106 -2013 357 C +ATOM 2455 CG GLN B 134 15.257 4.782 33.093 1.00 43.73 C +ANISOU 2455 CG GLN B 134 5919 5523 5174 -4 -1866 274 C +ATOM 2456 CD GLN B 134 15.354 5.282 34.509 1.00 45.62 C +ANISOU 2456 CD GLN B 134 6306 5798 5231 -126 -2015 236 C +ATOM 2457 OE1 GLN B 134 16.035 4.700 35.336 1.00 48.84 O +ANISOU 2457 OE1 GLN B 134 6771 6193 5592 -155 -2243 306 O +ATOM 2458 NE2 GLN B 134 14.647 6.358 34.799 1.00 44.87 N +ANISOU 2458 NE2 GLN B 134 6283 5738 5028 -200 -1896 118 N +ATOM 2459 N ASP B 135 17.651 1.354 31.157 1.00 38.89 N +ANISOU 2459 N ASP B 135 4917 4741 5118 428 -2124 473 N +ATOM 2460 CA ASP B 135 18.805 0.621 30.674 1.00 41.40 C +ANISOU 2460 CA ASP B 135 5039 5014 5677 579 -2232 481 C +ATOM 2461 C ASP B 135 18.594 0.397 29.184 1.00 35.80 C +ANISOU 2461 C ASP B 135 4221 4315 5068 702 -1994 424 C +ATOM 2462 O ASP B 135 19.482 0.638 28.358 1.00 36.89 O +ANISOU 2462 O ASP B 135 4121 4499 5398 789 -1914 371 O +ATOM 2463 CB ASP B 135 18.944 -0.725 31.404 1.00 47.10 C +ANISOU 2463 CB ASP B 135 5876 5631 6390 625 -2494 572 C +ATOM 2464 CG ASP B 135 19.255 -0.568 32.867 1.00 46.66 C +ANISOU 2464 CG ASP B 135 5936 5566 6225 488 -2756 642 C +ATOM 2465 OD1 ASP B 135 19.803 0.470 33.252 1.00 49.88 O +ANISOU 2465 OD1 ASP B 135 6268 6033 6653 407 -2782 606 O +ATOM 2466 OD2 ASP B 135 18.969 -1.500 33.638 1.00 52.00 O +ANISOU 2466 OD2 ASP B 135 6793 6173 6793 449 -2955 741 O +ATOM 2467 N ALA B 136 17.397 -0.029 28.818 1.00 34.59 N +ANISOU 2467 N ALA B 136 4242 4130 4773 696 -1874 439 N +ATOM 2468 CA ALA B 136 17.107 -0.244 27.414 1.00 35.48 C +ANISOU 2468 CA ALA B 136 4293 4241 4947 795 -1664 387 C +ATOM 2469 C ALA B 136 17.301 1.012 26.552 1.00 37.55 C +ANISOU 2469 C ALA B 136 4397 4606 5264 746 -1449 322 C +ATOM 2470 O ALA B 136 17.866 0.958 25.438 1.00 40.84 O +ANISOU 2470 O ALA B 136 4646 5063 5808 840 -1322 270 O +ATOM 2471 CB ALA B 136 15.699 -0.795 27.260 1.00 36.87 C +ANISOU 2471 CB ALA B 136 4697 4357 4955 763 -1596 432 C +ATOM 2472 N LEU B 137 16.811 2.149 27.027 1.00 33.04 N +ANISOU 2472 N LEU B 137 3883 4077 4594 595 -1407 323 N +ATOM 2473 CA LEU B 137 16.962 3.350 26.233 1.00 30.72 C +ANISOU 2473 CA LEU B 137 3452 3855 4363 530 -1244 280 C +ATOM 2474 C LEU B 137 18.448 3.607 26.002 1.00 35.68 C +ANISOU 2474 C LEU B 137 3818 4551 5188 576 -1291 264 C +ATOM 2475 O LEU B 137 18.862 3.995 24.901 1.00 32.51 O +ANISOU 2475 O LEU B 137 3248 4222 4881 589 -1136 241 O +ATOM 2476 CB LEU B 137 16.307 4.551 26.914 1.00 35.17 C +ANISOU 2476 CB LEU B 137 4111 4427 4824 373 -1239 267 C +ATOM 2477 CG LEU B 137 16.415 5.892 26.176 1.00 35.83 C +ANISOU 2477 CG LEU B 137 4069 4556 4987 283 -1118 237 C +ATOM 2478 CD1 LEU B 137 15.870 5.808 24.750 1.00 38.82 C +ANISOU 2478 CD1 LEU B 137 4432 4938 5379 303 -917 241 C +ATOM 2479 CD2 LEU B 137 15.699 6.972 26.955 1.00 42.75 C +ANISOU 2479 CD2 LEU B 137 5061 5409 5774 155 -1144 199 C +ATOM 2480 N GLN B 138 19.238 3.431 27.061 1.00 41.53 N +ANISOU 2480 N GLN B 138 4520 5276 5984 581 -1511 288 N +ATOM 2481 CA GLN B 138 20.671 3.647 26.984 1.00 39.69 C +ANISOU 2481 CA GLN B 138 4018 5100 5963 620 -1590 287 C +ATOM 2482 C GLN B 138 21.281 2.710 25.936 1.00 39.86 C +ANISOU 2482 C GLN B 138 3865 5148 6133 799 -1491 251 C +ATOM 2483 O GLN B 138 22.103 3.130 25.137 1.00 43.37 O +ANISOU 2483 O GLN B 138 4061 5695 6722 819 -1375 227 O +ATOM 2484 CB GLN B 138 21.328 3.428 28.360 1.00 38.81 C +ANISOU 2484 CB GLN B 138 3927 4935 5883 600 -1885 332 C +ATOM 2485 CG GLN B 138 22.841 3.733 28.412 1.00 62.43 C +ANISOU 2485 CG GLN B 138 6623 7974 9123 622 -2005 347 C +ATOM 2486 CD GLN B 138 23.233 4.970 27.597 1.00 67.88 C +ANISOU 2486 CD GLN B 138 7111 8776 9903 534 -1841 335 C +ATOM 2487 OE1 GLN B 138 23.884 4.846 26.556 1.00 67.54 O +ANISOU 2487 OE1 GLN B 138 6826 8822 10015 614 -1692 317 O +ATOM 2488 NE2 GLN B 138 22.824 6.165 28.058 1.00 69.31 N +ANISOU 2488 NE2 GLN B 138 7395 8954 9985 363 -1867 341 N +ATOM 2489 N HIS B 139 20.858 1.459 25.898 1.00 36.23 N +ANISOU 2489 N HIS B 139 3533 4600 5633 926 -1529 241 N +ATOM 2490 CA HIS B 139 21.389 0.536 24.882 1.00 39.63 C +ANISOU 2490 CA HIS B 139 3816 5040 6200 1118 -1435 172 C +ATOM 2491 C HIS B 139 21.000 1.020 23.484 1.00 39.67 C +ANISOU 2491 C HIS B 139 3782 5142 6148 1097 -1134 121 C +ATOM 2492 O HIS B 139 21.802 0.991 22.550 1.00 37.68 O +ANISOU 2492 O HIS B 139 3304 4993 6019 1182 -990 57 O +ATOM 2493 CB HIS B 139 20.875 -0.887 25.096 1.00 38.38 C +ANISOU 2493 CB HIS B 139 3844 4737 6002 1247 -1560 173 C +ATOM 2494 CG HIS B 139 21.481 -1.590 26.277 1.00 41.44 C +ANISOU 2494 CG HIS B 139 4234 5022 6489 1294 -1877 226 C +ATOM 2495 ND1 HIS B 139 22.842 -1.675 26.478 1.00 49.34 N +ANISOU 2495 ND1 HIS B 139 4968 6041 7736 1384 -2005 207 N +ATOM 2496 CD2 HIS B 139 20.908 -2.262 27.304 1.00 45.71 C +ANISOU 2496 CD2 HIS B 139 5010 5439 6919 1251 -2104 312 C +ATOM 2497 CE1 HIS B 139 23.080 -2.351 27.591 1.00 54.59 C +ANISOU 2497 CE1 HIS B 139 5715 6582 8445 1395 -2318 279 C +ATOM 2498 NE2 HIS B 139 21.923 -2.719 28.111 1.00 55.36 N +ANISOU 2498 NE2 HIS B 139 6123 6597 8313 1307 -2382 347 N +ATOM 2499 N LEU B 140 19.764 1.481 23.343 1.00 39.93 N +ANISOU 2499 N LEU B 140 3503 5509 6158 1333 -1024 -180 N +ATOM 2500 CA LEU B 140 19.288 1.896 22.044 1.00 38.43 C +ANISOU 2500 CA LEU B 140 3449 5187 5968 1095 -846 -250 C +ATOM 2501 C LEU B 140 20.100 3.088 21.543 1.00 39.05 C +ANISOU 2501 C LEU B 140 3269 5459 6108 881 -819 -362 C +ATOM 2502 O LEU B 140 20.387 3.178 20.354 1.00 53.44 O +ANISOU 2502 O LEU B 140 5074 7255 7976 780 -629 -429 O +ATOM 2503 CB LEU B 140 17.796 2.195 22.090 1.00 35.53 C +ANISOU 2503 CB LEU B 140 3399 4620 5481 919 -882 -212 C +ATOM 2504 CG LEU B 140 16.916 1.103 21.495 1.00 39.99 C +ANISOU 2504 CG LEU B 140 4270 4904 6022 1000 -746 -159 C +ATOM 2505 CD1 LEU B 140 17.124 -0.254 22.105 1.00 40.10 C +ANISOU 2505 CD1 LEU B 140 4315 4859 6062 1318 -770 -53 C +ATOM 2506 CD2 LEU B 140 15.477 1.552 21.662 1.00 41.19 C +ANISOU 2506 CD2 LEU B 140 4692 4901 6057 810 -806 -134 C +ATOM 2507 N MET B 141 20.512 3.977 22.450 1.00 39.71 N +ANISOU 2507 N MET B 141 3147 5744 6199 818 -1010 -382 N +ATOM 2508 CA MET B 141 21.338 5.136 22.058 1.00 39.97 C +ANISOU 2508 CA MET B 141 2915 5963 6309 604 -1004 -482 C +ATOM 2509 C MET B 141 22.719 4.682 21.545 1.00 42.88 C +ANISOU 2509 C MET B 141 2993 6494 6807 744 -870 -533 C +ATOM 2510 O MET B 141 23.256 5.230 20.575 1.00 43.59 O +ANISOU 2510 O MET B 141 2952 6652 6958 569 -724 -606 O +ATOM 2511 CB MET B 141 21.494 6.110 23.228 1.00 39.99 C +ANISOU 2511 CB MET B 141 2754 6139 6301 536 -1263 -498 C +ATOM 2512 CG MET B 141 20.198 6.823 23.586 1.00 45.98 C +ANISOU 2512 CG MET B 141 3764 6772 6934 349 -1389 -480 C +ATOM 2513 SD MET B 141 20.337 7.787 25.096 1.00 53.23 S +ANISOU 2513 SD MET B 141 4506 7894 7823 337 -1718 -502 S +ATOM 2514 CE MET B 141 18.782 8.688 24.987 1.00 64.60 C +ANISOU 2514 CE MET B 141 6297 9148 9099 57 -1758 -498 C +ATOM 2515 N GLU B 142 23.287 3.663 22.195 1.00 44.70 N +ANISOU 2515 N GLU B 142 3123 6789 7071 1065 -919 -495 N +ATOM 2516 CA GLU B 142 24.517 3.050 21.717 1.00 47.51 C +ANISOU 2516 CA GLU B 142 3227 7284 7539 1245 -793 -549 C +ATOM 2517 C GLU B 142 24.297 2.385 20.350 1.00 49.59 C +ANISOU 2517 C GLU B 142 3656 7383 7803 1247 -531 -567 C +ATOM 2518 O GLU B 142 25.164 2.494 19.466 1.00 49.00 O +ANISOU 2518 O GLU B 142 3380 7434 7805 1210 -368 -647 O +ATOM 2519 CB GLU B 142 25.065 2.027 22.738 1.00 50.76 C +ANISOU 2519 CB GLU B 142 3540 7771 7975 1614 -921 -501 C +ATOM 2520 CG GLU B 142 25.432 2.630 24.097 1.00 50.08 C +ANISOU 2520 CG GLU B 142 3258 7879 7890 1654 -1183 -497 C +ATOM 2521 CD GLU B 142 25.497 1.587 25.217 1.00 74.57 C +ANISOU 2521 CD GLU B 142 6400 10976 10955 2007 -1332 -409 C +ATOM 2522 OE1 GLU B 142 25.148 0.411 24.974 1.00 72.35 O +ANISOU 2522 OE1 GLU B 142 6328 10514 10649 2202 -1240 -339 O +ATOM 2523 OE2 GLU B 142 25.881 1.957 26.349 1.00 74.73 O +ANISOU 2523 OE2 GLU B 142 6318 11128 10947 2037 -1509 -378 O +ATOM 2524 N PHE B 143 23.166 1.699 20.151 1.00 45.41 N +ANISOU 2524 N PHE B 143 3482 6584 7188 1290 -488 -498 N +ATOM 2525 CA PHE B 143 22.957 1.040 18.843 1.00 46.12 C +ANISOU 2525 CA PHE B 143 3730 6512 7280 1310 -251 -529 C +ATOM 2526 C PHE B 143 22.903 2.081 17.714 1.00 44.51 C +ANISOU 2526 C PHE B 143 3514 6332 7067 989 -101 -605 C +ATOM 2527 O PHE B 143 23.316 1.805 16.589 1.00 45.56 O +ANISOU 2527 O PHE B 143 3611 6472 7229 998 107 -665 O +ATOM 2528 CB PHE B 143 21.686 0.181 18.799 1.00 43.41 C +ANISOU 2528 CB PHE B 143 3776 5860 6857 1387 -238 -449 C +ATOM 2529 CG PHE B 143 21.667 -0.933 19.801 1.00 46.28 C +ANISOU 2529 CG PHE B 143 4195 6166 7226 1697 -364 -355 C +ATOM 2530 CD1 PHE B 143 22.861 -1.529 20.236 1.00 47.19 C +ANISOU 2530 CD1 PHE B 143 4050 6457 7425 1970 -406 -370 C +ATOM 2531 CD2 PHE B 143 20.453 -1.398 20.313 1.00 42.46 C +ANISOU 2531 CD2 PHE B 143 4023 5451 6660 1718 -442 -249 C +ATOM 2532 CE1 PHE B 143 22.836 -2.559 21.162 1.00 48.16 C +ANISOU 2532 CE1 PHE B 143 4242 6514 7544 2261 -530 -274 C +ATOM 2533 CE2 PHE B 143 20.421 -2.428 21.241 1.00 43.47 C +ANISOU 2533 CE2 PHE B 143 4214 5517 6786 1994 -555 -143 C +ATOM 2534 CZ PHE B 143 21.613 -2.998 21.677 1.00 46.31 C +ANISOU 2534 CZ PHE B 143 4330 6042 7223 2267 -604 -152 C +ATOM 2535 N ALA B 144 22.432 3.286 18.036 1.00 43.63 N +ANISOU 2535 N ALA B 144 3425 6240 6911 714 -213 -602 N +ATOM 2536 CA ALA B 144 22.370 4.375 17.056 1.00 42.92 C +ANISOU 2536 CA ALA B 144 3333 6167 6809 393 -98 -662 C +ATOM 2537 C ALA B 144 23.782 4.837 16.635 1.00 52.04 C +ANISOU 2537 C ALA B 144 4108 7593 8072 343 -3 -732 C +ATOM 2538 O ALA B 144 23.951 5.443 15.581 1.00 45.87 O +ANISOU 2538 O ALA B 144 3302 6835 7291 130 160 -776 O +ATOM 2539 CB ALA B 144 21.575 5.546 17.616 1.00 40.70 C +ANISOU 2539 CB ALA B 144 3157 5846 6463 133 -274 -647 C +ATOM 2540 N GLU B 145 24.792 4.570 17.456 1.00 72.78 N +ANISOU 2540 N GLU B 145 6435 10428 10788 534 -106 -741 N +ATOM 2541 CA GLU B 145 26.147 5.050 17.158 1.00 81.48 C +ANISOU 2541 CA GLU B 145 7146 11808 12003 479 -34 -814 C +ATOM 2542 C GLU B 145 27.073 3.871 17.012 1.00 78.90 C +ANISOU 2542 C GLU B 145 6643 11592 11745 808 66 -847 C +ATOM 2543 O GLU B 145 28.028 3.707 17.760 1.00 84.77 O +ANISOU 2543 O GLU B 145 7093 12542 12575 977 -41 -874 O +ATOM 2544 CB GLU B 145 26.654 6.005 18.245 1.00 83.34 C +ANISOU 2544 CB GLU B 145 7125 12237 12305 380 -264 -827 C +ATOM 2545 CG GLU B 145 26.679 7.476 17.819 1.00 87.82 C +ANISOU 2545 CG GLU B 145 7616 12860 12892 -11 -260 -857 C +ATOM 2546 CD GLU B 145 27.758 7.783 16.778 1.00 96.98 C +ANISOU 2546 CD GLU B 145 8501 14205 14142 -132 -40 -916 C +ATOM 2547 OE1 GLU B 145 28.022 8.984 16.539 1.00 97.38 O +ANISOU 2547 OE1 GLU B 145 8421 14340 14238 -440 -50 -936 O +ATOM 2548 OE2 GLU B 145 28.340 6.835 16.198 1.00100.70 O +ANISOU 2548 OE2 GLU B 145 8885 14738 14638 78 140 -942 O +ATOM 2549 N LEU B 146 26.786 3.064 16.007 1.00 65.59 N +ANISOU 2549 N LEU B 146 5139 9765 10017 904 267 -856 N +ATOM 2550 CA LEU B 146 27.351 1.740 15.903 1.00 66.36 C +ANISOU 2550 CA LEU B 146 5175 9885 10155 1261 338 -881 C +ATOM 2551 C LEU B 146 28.173 1.607 14.622 1.00 68.11 C +ANISOU 2551 C LEU B 146 5222 10244 10413 1259 598 -970 C +ATOM 2552 O LEU B 146 27.721 1.997 13.548 1.00 60.16 O +ANISOU 2552 O LEU B 146 4365 9148 9344 1053 771 -982 O +ATOM 2553 CB LEU B 146 26.190 0.757 15.928 1.00 61.82 C +ANISOU 2553 CB LEU B 146 4999 8994 9496 1415 323 -813 C +ATOM 2554 CG LEU B 146 26.382 -0.751 15.866 1.00 69.18 C +ANISOU 2554 CG LEU B 146 5997 9836 10451 1791 363 -815 C +ATOM 2555 CD1 LEU B 146 25.356 -1.377 16.785 1.00 78.25 C +ANISOU 2555 CD1 LEU B 146 7444 10742 11545 1914 192 -705 C +ATOM 2556 CD2 LEU B 146 26.192 -1.265 14.463 1.00 65.40 C +ANISOU 2556 CD2 LEU B 146 5665 9240 9945 1810 603 -874 C +ATOM 2557 N ASP B 147 29.382 1.063 14.738 1.00 75.39 N +ANISOU 2557 N ASP B 147 5825 11394 11426 1495 624 -1036 N +ATOM 2558 CA ASP B 147 30.275 0.942 13.584 1.00 73.23 C +ANISOU 2558 CA ASP B 147 5336 11301 11187 1511 870 -1131 C +ATOM 2559 C ASP B 147 29.963 -0.302 12.757 1.00 79.53 C +ANISOU 2559 C ASP B 147 6353 11930 11934 1764 1021 -1159 C +ATOM 2560 O ASP B 147 30.242 -1.429 13.182 1.00 83.11 O +ANISOU 2560 O ASP B 147 6797 12357 12422 2113 952 -1176 O +ATOM 2561 CB ASP B 147 31.736 0.911 14.033 1.00 71.59 C +ANISOU 2561 CB ASP B 147 4667 11431 11101 1659 834 -1209 C +ATOM 2562 CG ASP B 147 32.702 0.646 12.874 1.00 84.58 C +ANISOU 2562 CG ASP B 147 6072 13289 12778 1719 1094 -1314 C +ATOM 2563 OD1 ASP B 147 33.320 -0.435 12.848 1.00 89.58 O +ANISOU 2563 OD1 ASP B 147 6595 13994 13446 2067 1120 -1382 O +ATOM 2564 OD2 ASP B 147 32.840 1.510 11.983 1.00 79.03 O +ANISOU 2564 OD2 ASP B 147 5291 12681 12056 1425 1271 -1328 O +ATOM 2565 N CYS B 148 29.407 -0.089 11.564 1.00 82.86 N +ANISOU 2565 N CYS B 148 6971 12236 12274 1593 1219 -1171 N +ATOM 2566 CA CYS B 148 28.920 -1.188 10.727 1.00 85.44 C +ANISOU 2566 CA CYS B 148 7557 12362 12543 1803 1350 -1203 C +ATOM 2567 C CYS B 148 29.997 -1.813 9.819 1.00 86.52 C +ANISOU 2567 C CYS B 148 7451 12711 12711 2012 1554 -1321 C +ATOM 2568 O CYS B 148 29.781 -2.875 9.232 1.00 89.67 O +ANISOU 2568 O CYS B 148 8018 12971 13081 2259 1636 -1368 O +ATOM 2569 CB CYS B 148 27.727 -0.717 9.882 1.00 84.52 C +ANISOU 2569 CB CYS B 148 7795 12007 12313 1547 1452 -1169 C +ATOM 2570 SG CYS B 148 26.370 -0.012 10.847 1.00 94.58 S +ANISOU 2570 SG CYS B 148 9370 13030 13535 1311 1223 -1049 S +ATOM 2571 N GLU B 149 31.152 -1.159 9.715 1.00 88.99 N +ANISOU 2571 N GLU B 149 7365 13362 13086 1916 1629 -1375 N +ATOM 2572 CA GLU B 149 32.242 -1.622 8.852 1.00 89.85 C +ANISOU 2572 CA GLU B 149 7198 13723 13219 2088 1834 -1494 C +ATOM 2573 C GLU B 149 32.984 -2.814 9.468 1.00 95.78 C +ANISOU 2573 C GLU B 149 7785 14553 14052 2520 1728 -1562 C +ATOM 2574 O GLU B 149 33.469 -3.706 8.760 1.00 95.86 O +ANISOU 2574 O GLU B 149 7735 14629 14057 2787 1860 -1664 O +ATOM 2575 CB GLU B 149 33.231 -0.473 8.600 1.00 88.90 C +ANISOU 2575 CB GLU B 149 6684 13948 13146 1817 1945 -1521 C +ATOM 2576 CG GLU B 149 32.684 0.692 7.747 1.00 90.22 C +ANISOU 2576 CG GLU B 149 6982 14071 13227 1397 2095 -1466 C +ATOM 2577 CD GLU B 149 32.444 1.995 8.546 1.00 91.78 C +ANISOU 2577 CD GLU B 149 7140 14269 13465 1048 1930 -1376 C +ATOM 2578 OE1 GLU B 149 31.304 2.522 8.508 1.00 88.12 O +ANISOU 2578 OE1 GLU B 149 7011 13550 12920 828 1876 -1297 O +ATOM 2579 OE2 GLU B 149 33.391 2.495 9.199 1.00 92.37 O +ANISOU 2579 OE2 GLU B 149 6846 14599 13653 997 1848 -1395 O +ATOM 2580 N SER B 150 33.075 -2.804 10.794 1.00 97.31 N +ANISOU 2580 N SER B 150 7910 14746 14316 2593 1480 -1509 N +ATOM 2581 CA SER B 150 33.760 -3.850 11.546 1.00 97.52 C +ANISOU 2581 CA SER B 150 7819 14820 14415 2977 1336 -1540 C +ATOM 2582 C SER B 150 33.049 -5.194 11.409 1.00 94.68 C +ANISOU 2582 C SER B 150 7810 14150 14015 3282 1304 -1529 C +ATOM 2583 O SER B 150 33.637 -6.251 11.667 1.00 90.62 O +ANISOU 2583 O SER B 150 7303 13597 13533 3567 1233 -1530 O +ATOM 2584 CB SER B 150 33.883 -3.429 13.025 1.00 95.73 C +ANISOU 2584 CB SER B 150 7489 14634 14249 2950 1067 -1465 C +ATOM 2585 OG SER B 150 33.181 -4.264 13.933 1.00 97.63 O +ANISOU 2585 OG SER B 150 7995 14622 14477 3182 863 -1389 O +ATOM 2586 N LEU B 151 31.782 -5.151 11.001 1.00 98.10 N +ANISOU 2586 N LEU B 151 8614 14294 14367 3148 1342 -1471 N +ATOM 2587 CA LEU B 151 30.958 -6.357 10.970 1.00 99.96 C +ANISOU 2587 CA LEU B 151 9212 14194 14575 3399 1286 -1443 C +ATOM 2588 C LEU B 151 31.385 -7.331 9.863 1.00104.94 C +ANISOU 2588 C LEU B 151 9858 14820 15195 3639 1456 -1555 C +ATOM 2589 O LEU B 151 31.177 -7.086 8.670 1.00109.74 O +ANISOU 2589 O LEU B 151 10517 15441 15737 3527 1669 -1624 O +ATOM 2590 CB LEU B 151 29.471 -5.999 10.873 1.00 98.45 C +ANISOU 2590 CB LEU B 151 9432 13676 14298 3147 1267 -1334 C +ATOM 2591 CG LEU B 151 28.786 -5.752 12.228 1.00 91.01 C +ANISOU 2591 CG LEU B 151 8630 12591 13360 3071 1022 -1194 C +ATOM 2592 CD1 LEU B 151 28.122 -4.397 12.271 1.00 93.21 C +ANISOU 2592 CD1 LEU B 151 8977 12860 13578 2654 1021 -1128 C +ATOM 2593 CD2 LEU B 151 27.771 -6.830 12.554 1.00 85.26 C +ANISOU 2593 CD2 LEU B 151 8282 11499 12613 3259 915 -1116 C +ATOM 2594 N GLU B 152 31.980 -8.444 10.284 1.00 93.06 N +ANISOU 2594 N GLU B 152 8358 13256 13742 3918 1347 -1540 N +ATOM 2595 CA GLU B 152 32.551 -9.407 9.359 1.00 97.62 C +ANISOU 2595 CA GLU B 152 8953 13819 14320 4108 1468 -1622 C +ATOM 2596 C GLU B 152 31.510 -10.384 8.857 1.00 99.51 C +ANISOU 2596 C GLU B 152 9605 13677 14528 4215 1471 -1605 C +ATOM 2597 O GLU B 152 30.848 -11.070 9.641 1.00100.13 O +ANISOU 2597 O GLU B 152 9930 13480 14636 4316 1289 -1509 O +ATOM 2598 CB GLU B 152 33.691 -10.170 10.026 1.00 97.18 C +ANISOU 2598 CB GLU B 152 8709 13870 14343 4347 1340 -1633 C +ATOM 2599 CG GLU B 152 34.854 -9.283 10.401 1.00 98.69 C +ANISOU 2599 CG GLU B 152 8481 14440 14576 4243 1348 -1666 C +ATOM 2600 CD GLU B 152 35.984 -10.061 11.026 1.00102.47 C +ANISOU 2600 CD GLU B 152 8788 15019 15127 4489 1222 -1692 C +ATOM 2601 OE1 GLU B 152 36.229 -11.201 10.583 1.00101.63 O +ANISOU 2601 OE1 GLU B 152 8787 14800 15026 4723 1237 -1744 O +ATOM 2602 OE2 GLU B 152 36.624 -9.538 11.961 1.00106.72 O +ANISOU 2602 OE2 GLU B 152 9092 15742 15715 4446 1099 -1666 O +ATOM 2603 N VAL B 153 31.383 -10.441 7.535 1.00 96.54 N +ANISOU 2603 N VAL B 153 9302 13286 14090 4173 1677 -1691 N +ATOM 2604 CA VAL B 153 30.467 -11.369 6.903 1.00 93.76 C +ANISOU 2604 CA VAL B 153 9327 12582 13717 4249 1690 -1693 C +ATOM 2605 C VAL B 153 30.744 -12.741 7.501 1.00 90.20 C +ANISOU 2605 C VAL B 153 8965 11955 13351 4515 1511 -1662 C +ATOM 2606 O VAL B 153 31.812 -13.294 7.316 1.00 96.81 O +ANISOU 2606 O VAL B 153 9609 12949 14224 4692 1528 -1736 O +ATOM 2607 CB VAL B 153 30.648 -11.384 5.370 1.00 89.91 C +ANISOU 2607 CB VAL B 153 8841 12162 13158 4216 1930 -1810 C +ATOM 2608 CG1 VAL B 153 29.718 -12.397 4.727 1.00 86.66 C +ANISOU 2608 CG1 VAL B 153 8807 11377 12742 4283 1917 -1823 C +ATOM 2609 CG2 VAL B 153 30.389 -9.999 4.795 1.00 82.20 C +ANISOU 2609 CG2 VAL B 153 7780 11366 12086 3932 2111 -1826 C +ATOM 2610 N GLY B 154 29.787 -13.256 8.262 1.00 85.04 N +ANISOU 2610 N GLY B 154 8599 10985 12728 4529 1337 -1548 N +ATOM 2611 CA GLY B 154 29.941 -14.524 8.944 1.00 85.31 C +ANISOU 2611 CA GLY B 154 8740 10835 12839 4746 1156 -1492 C +ATOM 2612 C GLY B 154 28.813 -14.721 9.938 1.00 83.99 C +ANISOU 2612 C GLY B 154 8854 10371 12688 4676 977 -1332 C +ATOM 2613 O GLY B 154 28.010 -13.818 10.152 1.00 80.73 O +ANISOU 2613 O GLY B 154 8523 9924 12226 4476 985 -1275 O +ATOM 2614 N GLU B 155 28.749 -15.901 10.544 1.00 92.42 N +ANISOU 2614 N GLU B 155 10069 11228 13819 4833 819 -1256 N +ATOM 2615 CA GLU B 155 27.647 -16.246 11.439 1.00 93.81 C +ANISOU 2615 CA GLU B 155 10528 11107 14010 4755 659 -1091 C +ATOM 2616 C GLU B 155 27.701 -15.541 12.795 1.00 95.18 C +ANISOU 2616 C GLU B 155 10600 11398 14166 4714 519 -972 C +ATOM 2617 O GLU B 155 26.658 -15.270 13.392 1.00 94.27 O +ANISOU 2617 O GLU B 155 10686 11110 14022 4564 440 -847 O +ATOM 2618 CB GLU B 155 27.609 -17.754 11.664 1.00 98.35 C +ANISOU 2618 CB GLU B 155 11273 11438 14659 4924 541 -1041 C +ATOM 2619 CG GLU B 155 26.524 -18.482 10.893 1.00 99.39 C +ANISOU 2619 CG GLU B 155 11707 11244 14812 4826 576 -1036 C +ATOM 2620 CD GLU B 155 26.814 -19.977 10.779 1.00106.80 C +ANISOU 2620 CD GLU B 155 12731 12017 15830 5026 503 -1042 C +ATOM 2621 OE1 GLU B 155 27.503 -20.388 9.819 1.00107.85 O +ANISOU 2621 OE1 GLU B 155 12770 12236 15974 5161 599 -1187 O +ATOM 2622 OE2 GLU B 155 26.364 -20.744 11.657 1.00110.92 O +ANISOU 2622 OE2 GLU B 155 13413 12331 16400 5049 351 -901 O +ATOM 2623 N GLU B 156 28.903 -15.253 13.289 1.00 92.57 N +ANISOU 2623 N GLU B 156 9957 11365 13849 4837 482 -1011 N +ATOM 2624 CA GLU B 156 29.035 -14.626 14.603 1.00 89.19 C +ANISOU 2624 CA GLU B 156 9415 11065 13408 4804 331 -905 C +ATOM 2625 C GLU B 156 28.402 -13.230 14.641 1.00 88.26 C +ANISOU 2625 C GLU B 156 9266 11044 13227 4562 380 -889 C +ATOM 2626 O GLU B 156 27.682 -12.877 15.578 1.00 86.66 O +ANISOU 2626 O GLU B 156 9182 10752 12991 4465 253 -759 O +ATOM 2627 CB GLU B 156 30.499 -14.503 15.016 1.00 90.75 C +ANISOU 2627 CB GLU B 156 9255 11587 13639 4953 291 -975 C +ATOM 2628 CG GLU B 156 30.655 -13.879 16.404 1.00 93.19 C +ANISOU 2628 CG GLU B 156 9446 12027 13935 4913 119 -870 C +ATOM 2629 CD GLU B 156 32.078 -13.928 16.953 1.00 96.08 C +ANISOU 2629 CD GLU B 156 9491 12673 14342 5067 45 -928 C +ATOM 2630 OE1 GLU B 156 32.431 -13.003 17.723 1.00 92.65 O +ANISOU 2630 OE1 GLU B 156 8850 12456 13896 4976 -31 -906 O +ATOM 2631 OE2 GLU B 156 32.828 -14.887 16.634 1.00 96.37 O +ANISOU 2631 OE2 GLU B 156 9487 12707 14423 5274 54 -998 O +ATOM 2632 N ASP B 157 28.709 -12.433 13.626 1.00 85.42 N +ANISOU 2632 N ASP B 157 8731 10881 12842 4463 566 -1024 N +ATOM 2633 CA ASP B 157 28.236 -11.070 13.562 1.00 80.72 C +ANISOU 2633 CA ASP B 157 8067 10413 12189 4232 624 -1034 C +ATOM 2634 C ASP B 157 26.798 -11.034 13.036 1.00 80.49 C +ANISOU 2634 C ASP B 157 8400 10078 12105 4084 680 -995 C +ATOM 2635 O ASP B 157 26.063 -10.096 13.309 1.00 80.03 O +ANISOU 2635 O ASP B 157 8397 10016 11993 3906 659 -956 O +ATOM 2636 CB ASP B 157 29.188 -10.239 12.694 1.00 79.96 C +ANISOU 2636 CB ASP B 157 7624 10666 12089 4158 809 -1187 C +ATOM 2637 CG ASP B 157 30.383 -9.699 13.480 1.00 82.63 C +ANISOU 2637 CG ASP B 157 7576 11345 12474 4175 726 -1202 C +ATOM 2638 OD1 ASP B 157 30.477 -9.971 14.699 1.00 89.51 O +ANISOU 2638 OD1 ASP B 157 8459 12181 13371 4264 521 -1100 O +ATOM 2639 OD2 ASP B 157 31.248 -9.025 12.875 1.00 80.12 O +ANISOU 2639 OD2 ASP B 157 6948 11327 12165 4086 868 -1311 O +ATOM 2640 N GLU B 158 26.399 -12.065 12.293 1.00 76.14 N +ANISOU 2640 N GLU B 158 8091 9267 11571 4149 738 -1012 N +ATOM 2641 CA GLU B 158 25.036 -12.140 11.769 1.00 78.92 C +ANISOU 2641 CA GLU B 158 8794 9309 11882 3987 781 -979 C +ATOM 2642 C GLU B 158 24.078 -12.415 12.906 1.00 78.13 C +ANISOU 2642 C GLU B 158 8933 8971 11783 3927 593 -803 C +ATOM 2643 O GLU B 158 22.978 -11.862 12.964 1.00 66.32 O +ANISOU 2643 O GLU B 158 7639 7329 10229 3730 587 -746 O +ATOM 2644 CB GLU B 158 24.903 -13.235 10.701 1.00 79.13 C +ANISOU 2644 CB GLU B 158 8985 9137 11946 4050 866 -1054 C +ATOM 2645 CG GLU B 158 25.041 -12.736 9.260 1.00 81.66 C +ANISOU 2645 CG GLU B 158 9249 9565 12213 3970 1090 -1211 C +ATOM 2646 CD GLU B 158 23.751 -12.160 8.697 1.00 85.14 C +ANISOU 2646 CD GLU B 158 9952 9816 12581 3721 1149 -1213 C +ATOM 2647 OE1 GLU B 158 23.834 -11.228 7.871 1.00 84.84 O +ANISOU 2647 OE1 GLU B 158 9833 9938 12465 3605 1321 -1308 O +ATOM 2648 OE2 GLU B 158 22.655 -12.639 9.066 1.00 83.44 O +ANISOU 2648 OE2 GLU B 158 10017 9306 12382 3622 1024 -1119 O +ATOM 2649 N ARG B 159 24.493 -13.274 13.822 1.00 83.57 N +ANISOU 2649 N ARG B 159 9600 9624 12527 4088 442 -712 N +ATOM 2650 CA ARG B 159 23.651 -13.563 14.962 1.00 81.91 C +ANISOU 2650 CA ARG B 159 9595 9219 12308 4027 272 -532 C +ATOM 2651 C ARG B 159 23.798 -12.461 15.996 1.00 78.06 C +ANISOU 2651 C ARG B 159 8949 8945 11765 3975 174 -466 C +ATOM 2652 O ARG B 159 22.897 -12.254 16.800 1.00 73.60 O +ANISOU 2652 O ARG B 159 8555 8255 11153 3853 68 -330 O +ATOM 2653 CB ARG B 159 23.981 -14.920 15.562 1.00 78.16 C +ANISOU 2653 CB ARG B 159 9176 8617 11904 4208 150 -450 C +ATOM 2654 CG ARG B 159 24.524 -14.860 16.970 1.00 75.78 C +ANISOU 2654 CG ARG B 159 8745 8453 11595 4311 -19 -337 C +ATOM 2655 CD ARG B 159 25.199 -16.172 17.310 1.00114.06 C +ANISOU 2655 CD ARG B 159 13588 13233 16515 4535 -104 -308 C +ATOM 2656 NE ARG B 159 26.628 -16.015 17.575 1.00115.06 N +ANISOU 2656 NE ARG B 159 13398 13657 16662 4725 -131 -390 N +ATOM 2657 CZ ARG B 159 27.129 -15.483 18.686 1.00108.27 C +ANISOU 2657 CZ ARG B 159 12370 12994 15773 4755 -255 -328 C +ATOM 2658 NH1 ARG B 159 26.313 -15.039 19.639 1.00107.76 N +ANISOU 2658 NH1 ARG B 159 12430 12867 15648 4619 -360 -181 N +ATOM 2659 NH2 ARG B 159 28.443 -15.389 18.841 1.00104.70 N +ANISOU 2659 NH2 ARG B 159 11621 12811 15350 4911 -275 -419 N +ATOM 2660 N ALA B 160 24.928 -11.755 15.984 1.00 65.76 N +ANISOU 2660 N ALA B 160 7045 7725 10214 4047 205 -567 N +ATOM 2661 CA ALA B 160 25.067 -10.580 16.841 1.00 63.26 C +ANISOU 2661 CA ALA B 160 6539 7642 9856 3956 110 -535 C +ATOM 2662 C ALA B 160 24.012 -9.541 16.439 1.00 63.63 C +ANISOU 2662 C ALA B 160 6729 7622 9826 3651 181 -532 C +ATOM 2663 O ALA B 160 23.330 -8.983 17.296 1.00 56.87 O +ANISOU 2663 O ALA B 160 5966 6730 8913 3479 63 -416 O +ATOM 2664 CB ALA B 160 26.457 -9.986 16.732 1.00 65.42 C +ANISOU 2664 CB ALA B 160 6389 8298 10169 4015 149 -663 C +ATOM 2665 N LEU B 161 23.879 -9.306 15.133 1.00 56.71 N +ANISOU 2665 N LEU B 161 5889 6722 8938 3524 378 -645 N +ATOM 2666 CA LEU B 161 22.949 -8.316 14.617 1.00 59.96 C +ANISOU 2666 CA LEU B 161 6448 7064 9269 3162 464 -642 C +ATOM 2667 C LEU B 161 21.515 -8.740 14.903 1.00 60.80 C +ANISOU 2667 C LEU B 161 6941 6824 9337 3099 393 -528 C +ATOM 2668 O LEU B 161 20.681 -7.924 15.313 1.00 56.29 O +ANISOU 2668 O LEU B 161 6479 6213 8695 2836 337 -458 O +ATOM 2669 CB LEU B 161 23.150 -8.095 13.114 1.00 55.39 C +ANISOU 2669 CB LEU B 161 5839 6527 8677 3079 692 -788 C +ATOM 2670 CG LEU B 161 22.110 -7.193 12.434 1.00 54.05 C +ANISOU 2670 CG LEU B 161 5872 6245 8421 2731 787 -793 C +ATOM 2671 CD1 LEU B 161 22.049 -5.839 13.062 1.00 54.57 C +ANISOU 2671 CD1 LEU B 161 5814 6481 8439 2435 712 -743 C +ATOM 2672 CD2 LEU B 161 22.415 -7.036 10.960 1.00 56.54 C +ANISOU 2672 CD2 LEU B 161 6148 6621 8713 2684 1013 -933 C +ATOM 2673 N MET B 162 21.237 -10.017 14.699 1.00 58.02 N +ANISOU 2673 N MET B 162 6789 6223 9034 3341 389 -514 N +ATOM 2674 CA MET B 162 19.898 -10.523 14.913 1.00 58.86 C +ANISOU 2674 CA MET B 162 7242 6000 9120 3225 329 -404 C +ATOM 2675 C MET B 162 19.482 -10.325 16.362 1.00 60.51 C +ANISOU 2675 C MET B 162 7492 6208 9293 3190 143 -235 C +ATOM 2676 O MET B 162 18.331 -9.973 16.630 1.00 51.40 O +ANISOU 2676 O MET B 162 6549 4904 8076 2982 107 -157 O +ATOM 2677 CB MET B 162 19.809 -12.012 14.561 1.00 60.62 C +ANISOU 2677 CB MET B 162 7592 6014 9428 3299 318 -397 C +ATOM 2678 CG MET B 162 18.460 -12.647 14.949 1.00 59.56 C +ANISOU 2678 CG MET B 162 7738 5598 9292 3114 224 -271 C +ATOM 2679 SD MET B 162 18.395 -13.350 16.625 1.00 80.53 S +ANISOU 2679 SD MET B 162 10418 8214 11967 3198 28 -55 S +ATOM 2680 CE MET B 162 19.627 -14.669 16.516 1.00 65.37 C +ANISOU 2680 CE MET B 162 8367 6311 10161 3502 14 -90 C +ATOM 2681 N GLU B 163 20.410 -10.574 17.289 1.00 53.00 N +ANISOU 2681 N GLU B 163 6334 5431 8373 3379 24 -184 N +ATOM 2682 CA GLU B 163 20.108 -10.507 18.720 1.00 58.94 C +ANISOU 2682 CA GLU B 163 7113 6200 9081 3361 -159 -18 C +ATOM 2683 C GLU B 163 19.812 -9.090 19.207 1.00 50.25 C +ANISOU 2683 C GLU B 163 5927 5273 7892 3149 -215 -8 C +ATOM 2684 O GLU B 163 18.916 -8.900 20.005 1.00 54.42 O +ANISOU 2684 O GLU B 163 6616 5711 8351 3036 -318 116 O +ATOM 2685 CB GLU B 163 21.263 -11.085 19.537 1.00 64.83 C +ANISOU 2685 CB GLU B 163 7646 7110 9876 3587 -267 19 C +ATOM 2686 CG GLU B 163 21.606 -12.531 19.193 1.00 83.24 C +ANISOU 2686 CG GLU B 163 10051 9280 12297 3739 -239 18 C +ATOM 2687 CD GLU B 163 20.956 -13.536 20.122 1.00 89.87 C +ANISOU 2687 CD GLU B 163 11100 9907 13139 3730 -358 198 C +ATOM 2688 OE1 GLU B 163 19.882 -13.210 20.692 1.00 89.22 O +ANISOU 2688 OE1 GLU B 163 11185 9728 12986 3545 -409 315 O +ATOM 2689 OE2 GLU B 163 21.528 -14.648 20.271 1.00 92.68 O +ANISOU 2689 OE2 GLU B 163 11444 10204 13566 3904 -397 219 O +ATOM 2690 N VAL B 164 20.577 -8.098 18.760 1.00 49.05 N +ANISOU 2690 N VAL B 164 5508 5388 7742 3018 -145 -131 N +ATOM 2691 CA VAL B 164 20.304 -6.714 19.152 1.00 47.08 C +ANISOU 2691 CA VAL B 164 5171 5302 7417 2719 -196 -128 C +ATOM 2692 C VAL B 164 19.057 -6.183 18.442 1.00 44.15 C +ANISOU 2692 C VAL B 164 5055 4741 6977 2427 -105 -143 C +ATOM 2693 O VAL B 164 18.400 -5.245 18.931 1.00 44.17 O +ANISOU 2693 O VAL B 164 5103 4780 6901 2191 -184 -105 O +ATOM 2694 CB VAL B 164 21.483 -5.754 18.858 1.00 48.22 C +ANISOU 2694 CB VAL B 164 4952 5776 7594 2636 -150 -251 C +ATOM 2695 CG1 VAL B 164 22.683 -6.085 19.747 1.00 62.25 C +ANISOU 2695 CG1 VAL B 164 6447 7775 9429 2900 -276 -241 C +ATOM 2696 CG2 VAL B 164 21.876 -5.801 17.384 1.00 48.87 C +ANISOU 2696 CG2 VAL B 164 4988 5864 7717 2606 70 -390 C +ATOM 2697 N SER B 165 18.746 -6.763 17.287 1.00 45.89 N +ANISOU 2697 N SER B 165 5439 4770 7227 2451 51 -211 N +ATOM 2698 CA SER B 165 17.554 -6.389 16.554 1.00 46.34 C +ANISOU 2698 CA SER B 165 5754 4627 7224 2208 136 -237 C +ATOM 2699 C SER B 165 16.329 -6.866 17.314 1.00 44.16 C +ANISOU 2699 C SER B 165 5760 4111 6908 2194 25 -102 C +ATOM 2700 O SER B 165 15.403 -6.097 17.526 1.00 41.56 O +ANISOU 2700 O SER B 165 5550 3744 6496 1952 -15 -77 O +ATOM 2701 CB SER B 165 17.584 -6.963 15.141 1.00 46.36 C +ANISOU 2701 CB SER B 165 5855 4492 7269 2272 322 -353 C +ATOM 2702 OG SER B 165 18.637 -6.368 14.399 1.00 45.12 O +ANISOU 2702 OG SER B 165 5435 4581 7127 2239 443 -475 O +ATOM 2703 N GLU B 166 16.331 -8.128 17.729 1.00 44.97 N +ANISOU 2703 N GLU B 166 5964 4054 7067 2454 -26 -13 N +ATOM 2704 CA GLU B 166 15.254 -8.674 18.545 1.00 42.97 C +ANISOU 2704 CA GLU B 166 5935 3608 6783 2406 -128 140 C +ATOM 2705 C GLU B 166 15.212 -8.005 19.919 1.00 56.80 C +ANISOU 2705 C GLU B 166 7609 5519 8452 2390 -299 253 C +ATOM 2706 O GLU B 166 14.136 -7.663 20.416 1.00 40.48 O +ANISOU 2706 O GLU B 166 5699 3377 6303 2206 -356 330 O +ATOM 2707 CB GLU B 166 15.429 -10.192 18.676 1.00 45.18 C +ANISOU 2707 CB GLU B 166 6236 3777 7155 2526 -143 206 C +ATOM 2708 CG GLU B 166 14.340 -10.919 19.465 1.00 51.82 C +ANISOU 2708 CG GLU B 166 7231 4476 7981 2384 -221 361 C +ATOM 2709 CD GLU B 166 12.963 -10.559 18.995 1.00 44.89 C +ANISOU 2709 CD GLU B 166 6509 3493 7055 2079 -170 337 C +ATOM 2710 OE1 GLU B 166 12.826 -10.070 17.844 1.00 47.19 O +ANISOU 2710 OE1 GLU B 166 6825 3762 7344 1974 -71 191 O +ATOM 2711 OE2 GLU B 166 12.009 -10.707 19.796 1.00 43.62 O +ANISOU 2711 OE2 GLU B 166 6425 3302 6848 1938 -229 458 O +ATOM 2712 N TYR B 167 16.362 -7.780 20.547 1.00 42.57 N +ANISOU 2712 N TYR B 167 5529 3978 6665 2525 -380 253 N +ATOM 2713 CA TYR B 167 16.335 -7.013 21.798 1.00 48.74 C +ANISOU 2713 CA TYR B 167 6201 4956 7361 2451 -545 335 C +ATOM 2714 C TYR B 167 15.650 -5.653 21.601 1.00 47.71 C +ANISOU 2714 C TYR B 167 6085 4899 7144 2111 -537 270 C +ATOM 2715 O TYR B 167 14.822 -5.231 22.413 1.00 43.71 O +ANISOU 2715 O TYR B 167 5677 4389 6542 1991 -646 353 O +ATOM 2716 CB TYR B 167 17.733 -6.807 22.384 1.00 44.27 C +ANISOU 2716 CB TYR B 167 5305 4684 6832 2623 -632 308 C +ATOM 2717 CG TYR B 167 17.734 -5.916 23.616 1.00 43.71 C +ANISOU 2717 CG TYR B 167 5107 4829 6671 2542 -809 367 C +ATOM 2718 CD1 TYR B 167 17.468 -6.432 24.881 1.00 44.35 C +ANISOU 2718 CD1 TYR B 167 5265 4894 6693 2696 -965 529 C +ATOM 2719 CD2 TYR B 167 17.974 -4.550 23.508 1.00 44.10 C +ANISOU 2719 CD2 TYR B 167 4971 5094 6692 2310 -825 262 C +ATOM 2720 CE1 TYR B 167 17.465 -5.622 26.001 1.00 50.11 C +ANISOU 2720 CE1 TYR B 167 5880 5832 7330 2639 -1131 573 C +ATOM 2721 CE2 TYR B 167 17.964 -3.728 24.628 1.00 45.54 C +ANISOU 2721 CE2 TYR B 167 5039 5469 6796 2245 -1002 302 C +ATOM 2722 CZ TYR B 167 17.708 -4.265 25.868 1.00 50.97 C +ANISOU 2722 CZ TYR B 167 5798 6151 7417 2416 -1154 451 C +ATOM 2723 OH TYR B 167 17.698 -3.421 26.961 1.00 50.14 O +ANISOU 2723 OH TYR B 167 5577 6251 7223 2361 -1333 477 O +ATOM 2724 N THR B 168 15.992 -4.961 20.521 1.00 38.52 N +ANISOU 2724 N THR B 168 4825 3804 6007 1960 -411 121 N +ATOM 2725 CA THR B 168 15.419 -3.669 20.258 1.00 36.19 C +ANISOU 2725 CA THR B 168 4545 3568 5636 1646 -408 53 C +ATOM 2726 C THR B 168 13.900 -3.750 20.034 1.00 33.76 C +ANISOU 2726 C THR B 168 4565 3003 5259 1487 -386 86 C +ATOM 2727 O THR B 168 13.165 -2.965 20.596 1.00 31.97 O +ANISOU 2727 O THR B 168 4395 2813 4940 1307 -484 110 O +ATOM 2728 CB THR B 168 16.132 -2.984 19.073 1.00 36.46 C +ANISOU 2728 CB THR B 168 4422 3716 5714 1523 -263 -100 C +ATOM 2729 OG1 THR B 168 17.524 -2.793 19.385 1.00 42.93 O +ANISOU 2729 OG1 THR B 168 4909 4805 6597 1646 -297 -133 O +ATOM 2730 CG2 THR B 168 15.517 -1.649 18.776 1.00 34.14 C +ANISOU 2730 CG2 THR B 168 4170 3460 5343 1197 -269 -165 C +ATOM 2731 N ARG B 169 13.444 -4.720 19.243 1.00 40.34 N +ANISOU 2731 N ARG B 169 5605 3581 6142 1566 -266 80 N +ATOM 2732 CA ARG B 169 12.022 -4.911 18.955 1.00 35.01 C +ANISOU 2732 CA ARG B 169 5235 2646 5421 1429 -237 99 C +ATOM 2733 C ARG B 169 11.181 -5.058 20.234 1.00 40.88 C +ANISOU 2733 C ARG B 169 6090 3352 6089 1422 -386 251 C +ATOM 2734 O ARG B 169 10.148 -4.390 20.385 1.00 32.12 O +ANISOU 2734 O ARG B 169 5081 2237 4884 1186 -411 245 O +ATOM 2735 CB ARG B 169 11.869 -6.159 18.065 1.00 42.13 C +ANISOU 2735 CB ARG B 169 6261 3333 6413 1535 -102 82 C +ATOM 2736 CG ARG B 169 10.572 -6.250 17.262 1.00 38.44 C +ANISOU 2736 CG ARG B 169 5889 2791 5926 1234 -22 30 C +ATOM 2737 CD ARG B 169 10.475 -7.643 16.555 1.00 39.23 C +ANISOU 2737 CD ARG B 169 5982 2793 6131 1290 22 10 C +ATOM 2738 NE ARG B 169 10.325 -8.778 17.490 1.00 42.27 N +ANISOU 2738 NE ARG B 169 6366 3126 6568 1393 -45 156 N +ATOM 2739 CZ ARG B 169 9.221 -9.044 18.191 1.00 40.17 C +ANISOU 2739 CZ ARG B 169 6134 2858 6269 1250 -87 258 C +ATOM 2740 NH1 ARG B 169 9.179 -10.067 19.037 1.00 45.08 N +ANISOU 2740 NH1 ARG B 169 6761 3428 6939 1351 -142 392 N +ATOM 2741 NH2 ARG B 169 8.159 -8.282 18.061 1.00 34.66 N +ANISOU 2741 NH2 ARG B 169 5450 2231 5488 1015 -69 221 N +ATOM 2742 N MET B 170 11.632 -5.918 21.151 1.00 35.43 N +ANISOU 2742 N MET B 170 5336 2699 5427 1639 -459 385 N +ATOM 2743 CA MET B 170 10.929 -6.181 22.416 1.00 35.18 C +ANISOU 2743 CA MET B 170 5336 2720 5310 1586 -548 544 C +ATOM 2744 C MET B 170 11.006 -4.971 23.331 1.00 36.07 C +ANISOU 2744 C MET B 170 5369 3016 5320 1556 -739 553 C +ATOM 2745 O MET B 170 9.995 -4.546 23.891 1.00 34.53 O +ANISOU 2745 O MET B 170 5254 2853 5011 1371 -777 593 O +ATOM 2746 CB MET B 170 11.509 -7.410 23.145 1.00 37.79 C +ANISOU 2746 CB MET B 170 5598 3059 5703 1803 -576 679 C +ATOM 2747 CG MET B 170 11.052 -8.773 22.570 1.00 62.05 C +ANISOU 2747 CG MET B 170 8758 5936 8882 1772 -456 702 C +ATOM 2748 SD MET B 170 9.251 -8.931 22.630 1.00 61.73 S +ANISOU 2748 SD MET B 170 8846 5819 8788 1466 -394 739 S +ATOM 2749 CE MET B 170 8.923 -7.985 24.154 1.00 58.47 C +ANISOU 2749 CE MET B 170 8417 5599 8199 1431 -529 849 C +ATOM 2750 N ALA B 171 12.208 -4.418 23.475 1.00 37.17 N +ANISOU 2750 N ALA B 171 5236 3401 5487 1622 -786 489 N +ATOM 2751 CA ALA B 171 12.417 -3.188 24.265 1.00 35.68 C +ANISOU 2751 CA ALA B 171 4866 3481 5210 1505 -929 462 C +ATOM 2752 C ALA B 171 11.467 -2.069 23.924 1.00 32.64 C +ANISOU 2752 C ALA B 171 4576 3086 4741 1204 -932 373 C +ATOM 2753 O ALA B 171 10.932 -1.390 24.803 1.00 30.92 O +ANISOU 2753 O ALA B 171 4357 2977 4412 1110 -1070 404 O +ATOM 2754 CB ALA B 171 13.829 -2.694 24.099 1.00 39.23 C +ANISOU 2754 CB ALA B 171 5009 4165 5732 1567 -937 365 C +ATOM 2755 N VAL B 172 11.290 -1.799 22.640 1.00 30.62 N +ANISOU 2755 N VAL B 172 4391 2714 4528 1054 -788 248 N +ATOM 2756 CA VAL B 172 10.389 -0.759 22.245 1.00 28.17 C +ANISOU 2756 CA VAL B 172 4188 2378 4139 778 -794 156 C +ATOM 2757 C VAL B 172 9.008 -0.951 22.848 1.00 26.75 C +ANISOU 2757 C VAL B 172 4235 2069 3858 713 -858 238 C +ATOM 2758 O VAL B 172 8.357 0.001 23.256 1.00 25.03 O +ANISOU 2758 O VAL B 172 4039 1934 3536 542 -962 201 O +ATOM 2759 CB VAL B 172 10.256 -0.711 20.718 1.00 29.37 C +ANISOU 2759 CB VAL B 172 4444 2370 4345 662 -613 31 C +ATOM 2760 CG1 VAL B 172 9.087 0.205 20.312 1.00 29.32 C +ANISOU 2760 CG1 VAL B 172 4613 2282 4246 390 -625 -55 C +ATOM 2761 CG2 VAL B 172 11.538 -0.215 20.119 1.00 28.73 C +ANISOU 2761 CG2 VAL B 172 4120 2459 4336 663 -551 -62 C +ATOM 2762 N LEU B 173 8.547 -2.183 22.880 1.00 26.49 N +ANISOU 2762 N LEU B 173 3639 2363 4062 -99 -710 414 N +ATOM 2763 CA LEU B 173 7.213 -2.487 23.405 1.00 23.38 C +ANISOU 2763 CA LEU B 173 3200 2120 3563 -157 -718 506 C +ATOM 2764 C LEU B 173 7.144 -2.263 24.908 1.00 26.69 C +ANISOU 2764 C LEU B 173 3565 2683 3895 -114 -749 576 C +ATOM 2765 O LEU B 173 6.158 -1.707 25.421 1.00 29.92 O +ANISOU 2765 O LEU B 173 3923 3263 4183 -105 -740 597 O +ATOM 2766 CB LEU B 173 6.833 -3.913 23.075 1.00 26.49 C +ANISOU 2766 CB LEU B 173 3621 2431 4014 -270 -722 589 C +ATOM 2767 CG LEU B 173 6.585 -4.229 21.597 1.00 34.03 C +ANISOU 2767 CG LEU B 173 4632 3273 5022 -348 -687 528 C +ATOM 2768 CD1 LEU B 173 6.250 -5.707 21.463 1.00 34.36 C +ANISOU 2768 CD1 LEU B 173 4706 3230 5118 -463 -692 616 C +ATOM 2769 CD2 LEU B 173 5.474 -3.367 21.068 1.00 38.10 C +ANISOU 2769 CD2 LEU B 173 5118 3922 5436 -363 -671 499 C +ATOM 2770 N AARG B 174 8.195 -2.679 25.609 0.59 28.87 N +ANISOU 2770 N AARG B 174 3848 2891 4229 -89 -782 614 N +ATOM 2771 N BARG B 174 8.185 -2.700 25.610 0.41 28.86 N +ANISOU 2771 N BARG B 174 3847 2889 4229 -91 -782 616 N +ATOM 2772 CA AARG B 174 8.298 -2.439 27.053 0.59 30.85 C +ANISOU 2772 CA AARG B 174 4054 3275 4393 -58 -817 678 C +ATOM 2773 CA BARG B 174 8.320 -2.433 27.041 0.41 30.92 C +ANISOU 2773 CA BARG B 174 4063 3281 4403 -57 -817 676 C +ATOM 2774 C AARG B 174 8.419 -0.957 27.412 0.59 23.36 C +ANISOU 2774 C AARG B 174 3090 2433 3352 34 -802 582 C +ATOM 2775 C BARG B 174 8.305 -0.931 27.322 0.41 30.28 C +ANISOU 2775 C BARG B 174 3966 3313 4225 32 -798 578 C +ATOM 2776 O AARG B 174 7.871 -0.526 28.428 0.59 28.23 O +ANISOU 2776 O AARG B 174 3666 3216 3844 46 -805 612 O +ATOM 2777 O BARG B 174 7.553 -0.454 28.178 0.41 29.95 O +ANISOU 2777 O BARG B 174 3881 3444 4054 41 -791 601 O +ATOM 2778 CB AARG B 174 9.462 -3.213 27.669 0.59 24.39 C +ANISOU 2778 CB AARG B 174 3243 2355 3669 -60 -865 752 C +ATOM 2779 CB BARG B 174 9.607 -3.054 27.589 0.41 34.80 C +ANISOU 2779 CB BARG B 174 4566 3663 4994 -46 -862 732 C +ATOM 2780 CG AARG B 174 9.215 -4.682 27.769 0.59 39.14 C +ANISOU 2780 CG AARG B 174 5111 4156 5604 -150 -888 877 C +ATOM 2781 CG BARG B 174 9.512 -4.533 27.859 0.41 40.15 C +ANISOU 2781 CG BARG B 174 5240 4275 5741 -131 -892 867 C +ATOM 2782 CD AARG B 174 10.247 -5.278 28.695 0.59 46.60 C +ANISOU 2782 CD AARG B 174 6039 5049 6617 -145 -944 975 C +ATOM 2783 CD BARG B 174 10.842 -5.075 28.365 0.41 46.07 C +ANISOU 2783 CD BARG B 174 5989 4908 6609 -110 -937 928 C +ATOM 2784 NE AARG B 174 11.572 -5.253 28.085 0.59 48.34 N +ANISOU 2784 NE AARG B 174 6291 5085 6989 -90 -939 914 N +ATOM 2785 NE BARG B 174 10.998 -6.508 28.102 0.41 53.28 N +ANISOU 2785 NE BARG B 174 6916 5669 7658 -178 -949 1021 N +ATOM 2786 CZ AARG B 174 11.993 -6.161 27.208 0.59 57.79 C +ANISOU 2786 CZ AARG B 174 7525 6086 8346 -117 -916 913 C +ATOM 2787 CZ BARG B 174 11.997 -7.060 27.414 0.41 60.40 C +ANISOU 2787 CZ BARG B 174 7850 6360 8737 -161 -934 999 C +ATOM 2788 NH1AARG B 174 13.209 -6.070 26.681 0.59 62.59 N +ANISOU 2788 NH1AARG B 174 8156 6537 9089 -61 -903 854 N +ATOM 2789 NH1BARG B 174 12.959 -6.309 26.887 0.41 62.24 N +ANISOU 2789 NH1BARG B 174 8104 6516 9030 -83 -912 890 N +ATOM 2790 NH2AARG B 174 11.195 -7.164 26.850 0.59 59.19 N +ANISOU 2790 NH2AARG B 174 7719 6223 8549 -203 -904 970 N +ATOM 2791 NH2BARG B 174 12.035 -8.378 27.249 0.41 64.66 N +ANISOU 2791 NH2BARG B 174 8402 6765 9399 -224 -939 1087 N +ATOM 2792 N LEU B 175 9.128 -0.188 26.594 1.00 25.60 N +ANISOU 2792 N LEU B 175 3408 2621 3696 94 -785 466 N +ATOM 2793 CA LEU B 175 9.205 1.267 26.758 1.00 28.94 C +ANISOU 2793 CA LEU B 175 3825 3126 4045 179 -767 365 C +ATOM 2794 C LEU B 175 7.832 1.886 26.626 1.00 30.35 C +ANISOU 2794 C LEU B 175 3966 3442 4123 180 -727 345 C +ATOM 2795 O LEU B 175 7.439 2.790 27.378 1.00 25.48 O +ANISOU 2795 O LEU B 175 3319 2961 3402 231 -710 316 O +ATOM 2796 CB LEU B 175 10.150 1.908 25.713 1.00 29.63 C +ANISOU 2796 CB LEU B 175 3956 3074 4227 231 -757 250 C +ATOM 2797 CG LEU B 175 11.642 2.017 26.096 1.00 34.58 C +ANISOU 2797 CG LEU B 175 4605 3613 4920 277 -792 234 C +ATOM 2798 CD1 LEU B 175 12.111 0.841 26.820 1.00 44.07 C +ANISOU 2798 CD1 LEU B 175 5796 4777 6170 232 -833 353 C +ATOM 2799 CD2 LEU B 175 12.489 2.228 24.838 1.00 35.76 C +ANISOU 2799 CD2 LEU B 175 4797 3600 5188 300 -776 143 C +ATOM 2800 N HIS B 176 7.096 1.396 25.641 1.00 23.69 N +ANISOU 2800 N HIS B 176 3125 2561 3315 121 -707 360 N +ATOM 2801 CA HIS B 176 5.783 1.938 25.369 1.00 23.48 C +ANISOU 2801 CA HIS B 176 3053 2655 3212 117 -672 355 C +ATOM 2802 C HIS B 176 4.838 1.666 26.541 1.00 23.09 C +ANISOU 2802 C HIS B 176 2945 2779 3049 93 -668 449 C +ATOM 2803 O HIS B 176 4.099 2.539 26.957 1.00 23.29 O +ANISOU 2803 O HIS B 176 2922 2940 2986 140 -634 425 O +ATOM 2804 CB HIS B 176 5.243 1.353 24.070 1.00 21.95 C +ANISOU 2804 CB HIS B 176 2878 2385 3078 36 -662 367 C +ATOM 2805 CG HIS B 176 3.901 1.881 23.700 1.00 25.60 C +ANISOU 2805 CG HIS B 176 3285 2968 3473 23 -633 378 C +ATOM 2806 ND1 HIS B 176 3.647 3.228 23.571 1.00 27.22 N +ANISOU 2806 ND1 HIS B 176 3460 3238 3645 107 -606 302 N +ATOM 2807 CD2 HIS B 176 2.738 1.257 23.414 1.00 26.82 C +ANISOU 2807 CD2 HIS B 176 3406 3188 3595 -64 -629 463 C +ATOM 2808 CE1 HIS B 176 2.392 3.410 23.220 1.00 23.34 C +ANISOU 2808 CE1 HIS B 176 2911 2846 3112 77 -585 344 C +ATOM 2809 NE2 HIS B 176 1.820 2.226 23.105 1.00 25.96 N +ANISOU 2809 NE2 HIS B 176 3240 3184 3440 -30 -600 443 N +ATOM 2810 N SER B 177 4.865 0.432 27.045 1.00 23.73 N +ANISOU 2810 N SER B 177 3028 2849 3140 18 -701 558 N +ATOM 2811 CA SER B 177 3.973 0.030 28.120 1.00 24.70 C +ANISOU 2811 CA SER B 177 3094 3135 3155 -23 -702 661 C +ATOM 2812 C SER B 177 4.306 0.824 29.396 1.00 25.04 C +ANISOU 2812 C SER B 177 3117 3296 3101 44 -698 634 C +ATOM 2813 O SER B 177 3.420 1.247 30.109 1.00 25.63 O +ANISOU 2813 O SER B 177 3138 3538 3062 54 -664 650 O +ATOM 2814 CB SER B 177 4.056 -1.506 28.346 1.00 25.35 C +ANISOU 2814 CB SER B 177 3188 3159 3284 -124 -747 789 C +ATOM 2815 OG SER B 177 3.010 -1.912 29.186 1.00 38.15 O +ANISOU 2815 OG SER B 177 4751 4945 4800 -178 -747 894 O +ATOM 2816 N ASP B 178 5.586 1.028 29.661 1.00 24.60 N +ANISOU 2816 N ASP B 178 3103 3153 3089 85 -729 591 N +ATOM 2817 CA ASP B 178 6.049 1.869 30.763 1.00 27.04 C +ANISOU 2817 CA ASP B 178 3409 3558 3308 141 -728 549 C +ATOM 2818 C ASP B 178 5.469 3.281 30.681 1.00 26.13 C +ANISOU 2818 C ASP B 178 3274 3533 3120 222 -665 435 C +ATOM 2819 O ASP B 178 4.925 3.799 31.670 1.00 27.92 O +ANISOU 2819 O ASP B 178 3467 3917 3223 239 -632 430 O +ATOM 2820 CB ASP B 178 7.573 1.902 30.712 1.00 24.44 C +ANISOU 2820 CB ASP B 178 3131 3090 3067 170 -775 515 C +ATOM 2821 CG ASP B 178 8.197 2.643 31.858 1.00 36.21 C +ANISOU 2821 CG ASP B 178 4626 4666 4465 206 -790 485 C +ATOM 2822 OD1 ASP B 178 7.618 3.632 32.330 1.00 32.70 O +ANISOU 2822 OD1 ASP B 178 4167 4351 3909 248 -743 417 O +ATOM 2823 OD2 ASP B 178 9.307 2.254 32.261 1.00 30.96 O +ANISOU 2823 OD2 ASP B 178 3983 3933 3848 192 -847 527 O +ATOM 2824 N LEU B 179 5.553 3.916 29.514 1.00 27.08 N +ANISOU 2824 N LEU B 179 3414 3555 3318 270 -644 344 N +ATOM 2825 CA LEU B 179 5.000 5.243 29.366 1.00 29.38 C +ANISOU 2825 CA LEU B 179 3684 3916 3563 350 -587 244 C +ATOM 2826 C LEU B 179 3.484 5.284 29.479 1.00 32.93 C +ANISOU 2826 C LEU B 179 4061 4510 3942 335 -534 290 C +ATOM 2827 O LEU B 179 2.957 6.158 30.139 1.00 30.08 O +ANISOU 2827 O LEU B 179 3664 4269 3495 391 -481 245 O +ATOM 2828 CB LEU B 179 5.447 5.901 28.050 1.00 24.50 C +ANISOU 2828 CB LEU B 179 3100 3160 3049 396 -585 149 C +ATOM 2829 CG LEU B 179 6.965 6.047 27.941 1.00 24.16 C +ANISOU 2829 CG LEU B 179 3121 2983 3074 423 -628 93 C +ATOM 2830 CD1 LEU B 179 7.361 6.387 26.519 1.00 22.93 C +ANISOU 2830 CD1 LEU B 179 2997 2687 3028 441 -630 22 C +ATOM 2831 CD2 LEU B 179 7.510 7.050 28.916 1.00 26.03 C +ANISOU 2831 CD2 LEU B 179 3373 3281 3237 489 -623 21 C +ATOM 2832 N VAL B 180 2.778 4.356 28.835 1.00 26.19 N +ANISOU 2832 N VAL B 180 3183 3643 3124 259 -545 379 N +ATOM 2833 CA VAL B 180 1.311 4.387 28.826 1.00 30.03 C +ANISOU 2833 CA VAL B 180 3592 4266 3554 240 -499 434 C +ATOM 2834 C VAL B 180 0.740 4.027 30.202 1.00 30.18 C +ANISOU 2834 C VAL B 180 3564 4455 3450 212 -481 510 C +ATOM 2835 O VAL B 180 -0.218 4.630 30.633 1.00 31.80 O +ANISOU 2835 O VAL B 180 3704 4801 3579 247 -419 504 O +ATOM 2836 CB VAL B 180 0.739 3.378 27.787 1.00 35.53 C +ANISOU 2836 CB VAL B 180 4282 4904 4315 144 -525 521 C +ATOM 2837 CG1 VAL B 180 -0.717 2.997 28.124 1.00 39.62 C +ANISOU 2837 CG1 VAL B 180 4714 5584 4756 92 -497 626 C +ATOM 2838 CG2 VAL B 180 0.843 3.961 26.407 1.00 32.59 C +ANISOU 2838 CG2 VAL B 180 3929 4422 4031 167 -522 448 C +ATOM 2839 N LEU B 181 1.354 3.072 30.911 1.00 27.56 N +ANISOU 2839 N LEU B 181 3262 4110 3101 148 -534 583 N +ATOM 2840 CA LEU B 181 0.785 2.612 32.176 1.00 31.77 C +ANISOU 2840 CA LEU B 181 3749 4810 3513 100 -525 672 C +ATOM 2841 C LEU B 181 1.226 3.374 33.434 1.00 34.65 C +ANISOU 2841 C LEU B 181 4121 5276 3768 148 -501 611 C +ATOM 2842 O LEU B 181 0.875 2.989 34.566 1.00 34.72 O +ANISOU 2842 O LEU B 181 4099 5429 3665 98 -497 683 O +ATOM 2843 CB LEU B 181 1.108 1.133 32.358 1.00 30.66 C +ANISOU 2843 CB LEU B 181 3627 4616 3404 -8 -598 803 C +ATOM 2844 CG LEU B 181 0.476 0.271 31.253 1.00 32.05 C +ANISOU 2844 CG LEU B 181 3796 4718 3663 -78 -615 873 C +ATOM 2845 CD1 LEU B 181 0.770 -1.231 31.476 1.00 37.14 C +ANISOU 2845 CD1 LEU B 181 4462 5300 4348 -187 -683 1004 C +ATOM 2846 CD2 LEU B 181 -1.045 0.525 31.185 1.00 35.99 C +ANISOU 2846 CD2 LEU B 181 4212 5374 4090 -89 -558 910 C +ATOM 2847 N HIS B 182 2.025 4.410 33.249 1.00 33.55 N +ANISOU 2847 N HIS B 182 4027 5061 3657 233 -489 483 N +ATOM 2848 CA HIS B 182 2.343 5.333 34.338 1.00 38.93 C +ANISOU 2848 CA HIS B 182 4722 5839 4229 282 -453 402 C +ATOM 2849 C HIS B 182 1.970 6.778 33.927 1.00 41.08 C +ANISOU 2849 C HIS B 182 4985 6117 4508 393 -373 262 C +ATOM 2850 O HIS B 182 2.139 7.691 34.707 1.00 44.77 O +ANISOU 2850 O HIS B 182 5466 6652 4891 443 -328 172 O +ATOM 2851 CB HIS B 182 3.803 5.189 34.756 1.00 32.13 C +ANISOU 2851 CB HIS B 182 3932 4891 3386 267 -525 391 C +ATOM 2852 CG HIS B 182 4.169 3.793 35.147 1.00 33.77 C +ANISOU 2852 CG HIS B 182 4141 5083 3607 164 -604 537 C +ATOM 2853 ND1 HIS B 182 4.531 2.831 34.227 1.00 34.12 N +ANISOU 2853 ND1 HIS B 182 4202 4974 3789 126 -660 604 N +ATOM 2854 CD2 HIS B 182 4.155 3.171 36.352 1.00 35.77 C +ANISOU 2854 CD2 HIS B 182 4377 5457 3756 86 -633 635 C +ATOM 2855 CE1 HIS B 182 4.749 1.684 34.854 1.00 36.47 C +ANISOU 2855 CE1 HIS B 182 4492 5287 4079 38 -720 737 C +ATOM 2856 NE2 HIS B 182 4.526 1.865 36.141 1.00 36.24 N +ANISOU 2856 NE2 HIS B 182 4440 5427 3903 9 -710 765 N +ATOM 2857 N GLU B 183 1.469 6.927 32.702 1.00 61.91 N +ANISOU 2857 N GLU B 183 7598 8680 7246 422 -360 252 N +ATOM 2858 CA GLU B 183 0.643 8.064 32.238 1.00 73.33 C +ANISOU 2858 CA GLU B 183 8997 10158 8706 511 -280 172 C +ATOM 2859 C GLU B 183 0.938 8.417 30.780 1.00 73.15 C +ANISOU 2859 C GLU B 183 8996 9978 8821 545 -306 127 C +ATOM 2860 O GLU B 183 0.029 8.454 29.940 1.00 76.49 O +ANISOU 2860 O GLU B 183 9362 10407 9294 545 -285 162 O +ATOM 2861 CB GLU B 183 0.748 9.324 33.110 1.00 72.55 C +ANISOU 2861 CB GLU B 183 8909 10131 8527 596 -209 49 C +ATOM 2862 CG GLU B 183 -0.527 9.622 33.888 1.00 69.68 C +ANISOU 2862 CG GLU B 183 8462 9950 8062 615 -111 61 C +ATOM 2863 CD GLU B 183 -0.448 9.244 35.365 1.00 75.70 C +ANISOU 2863 CD GLU B 183 9235 10856 8673 558 -98 88 C +ATOM 2864 OE1 GLU B 183 0.629 9.392 35.992 1.00 73.59 O +ANISOU 2864 OE1 GLU B 183 9044 10559 8359 545 -135 37 O +ATOM 2865 OE2 GLU B 183 -1.486 8.811 35.903 1.00 82.38 O +ANISOU 2865 OE2 GLU B 183 10007 11852 9441 520 -50 165 O +TER 2866 GLU B 183 +HETATM 2867 NA NA A 201 6.755 41.543 24.907 1.00 38.16 NA +HETATM 2868 NA NA B 201 1.733 -5.703 19.391 1.00 41.94 NA +HETATM 2869 O HOH A 301 4.362 22.026 24.395 1.00 26.72 O +HETATM 2870 O HOH A 302 -4.311 39.251 18.309 1.00 28.65 O +HETATM 2871 O HOH A 303 8.382 19.194 17.510 1.00 27.94 O +HETATM 2872 O HOH A 304 12.798 36.933 20.802 1.00 27.89 O +HETATM 2873 O HOH A 305 25.404 24.976 13.614 1.00 34.60 O +HETATM 2874 O HOH A 306 18.667 28.384 7.038 1.00 32.25 O +HETATM 2875 O HOH A 307 14.252 43.673 23.667 1.00 40.22 O +HETATM 2876 O HOH A 308 7.391 44.082 21.423 1.00 38.92 O +HETATM 2877 O HOH A 309 19.236 40.423 16.292 1.00 28.50 O +HETATM 2878 O HOH A 310 4.772 30.944 24.592 1.00 23.64 O +HETATM 2879 O HOH A 311 23.587 41.362 16.574 1.00 40.67 O +HETATM 2880 O HOH A 312 13.685 42.392 15.720 1.00 28.08 O +HETATM 2881 O HOH A 313 1.109 38.529 22.234 1.00 30.33 O +HETATM 2882 O HOH A 314 17.436 40.626 8.506 1.00 27.17 O +HETATM 2883 O HOH A 315 19.744 14.704 21.876 1.00 34.70 O +HETATM 2884 O HOH A 316 1.672 18.834 16.404 1.00 33.55 O +HETATM 2885 O HOH A 317 21.430 32.769 6.156 1.00 33.49 O +HETATM 2886 O HOH A 318 12.423 42.861 13.130 1.00 33.83 O +HETATM 2887 O HOH A 319 5.985 47.792 8.897 1.00 38.42 O +HETATM 2888 O HOH A 320 12.275 46.837 10.922 1.00 32.56 O +HETATM 2889 O HOH A 321 26.344 40.135 15.310 1.00 36.40 O +HETATM 2890 O HOH A 322 6.329 46.797 20.001 1.00 43.35 O +HETATM 2891 O HOH A 323 20.561 40.323 18.600 1.00 36.86 O +HETATM 2892 O HOH A 324 22.091 35.247 5.605 1.00 31.29 O +HETATM 2893 O HOH A 325 15.561 42.647 8.565 1.00 33.83 O +HETATM 2894 O HOH A 326 20.759 28.035 29.240 1.00 34.06 O +HETATM 2895 O HOH A 327 30.477 40.629 7.831 1.00 49.40 O +HETATM 2896 O HOH A 328 16.755 47.232 6.012 1.00 37.12 O +HETATM 2897 O HOH A 329 29.655 32.694 21.217 1.00 40.44 O +HETATM 2898 O HOH A 330 4.356 44.389 22.567 1.00 41.63 O +HETATM 2899 O HOH A 331 19.140 42.309 9.807 1.00 33.54 O +HETATM 2900 O HOH A 332 26.530 27.970 13.464 1.00 44.08 O +HETATM 2901 O HOH A 333 4.629 42.030 33.111 1.00 37.17 O +HETATM 2902 O HOH A 334 2.271 43.164 11.676 1.00 42.49 O +HETATM 2903 O HOH A 335 14.720 43.678 12.129 1.00 46.00 O +HETATM 2904 O HOH A 336 14.630 46.320 10.415 1.00 34.98 O +HETATM 2905 O HOH A 337 7.137 18.047 25.227 1.00 37.37 O +HETATM 2906 O HOH A 338 12.933 45.054 26.544 1.00 42.90 O +HETATM 2907 O HOH A 339 -0.479 41.847 11.776 1.00 37.46 O +HETATM 2908 O HOH A 340 18.699 44.853 8.947 1.00 42.70 O +HETATM 2909 O HOH A 341 11.544 45.461 13.212 1.00 31.87 O +HETATM 2910 O HOH A 342 24.719 28.873 11.615 1.00 31.14 O +HETATM 2911 O HOH A 343 19.477 42.046 21.023 1.00 41.34 O +HETATM 2912 O HOH A 344 26.173 38.305 22.710 1.00 36.42 O +HETATM 2913 O HOH A 345 31.302 39.246 21.275 1.00 43.91 O +HETATM 2914 O HOH A 346 25.383 37.168 9.066 1.00 35.50 O +HETATM 2915 O HOH A 347 23.203 32.425 23.705 1.00 38.06 O +HETATM 2916 O HOH A 348 21.454 34.194 25.272 1.00 39.79 O +HETATM 2917 O HOH A 349 14.705 27.442 27.878 1.00 45.99 O +HETATM 2918 O HOH A 350 25.248 33.363 22.550 1.00 42.26 O +HETATM 2919 O HOH A 351 3.096 39.434 23.641 1.00 39.95 O +HETATM 2920 O HOH A 352 12.297 44.852 19.337 1.00 43.27 O +HETATM 2921 O HOH A 353 16.981 42.264 15.324 1.00 42.15 O +HETATM 2922 O HOH A 354 17.506 28.750 3.131 1.00 43.86 O +HETATM 2923 O HOH A 355 0.062 21.037 11.790 1.00 38.19 O +HETATM 2924 O HOH A 356 -1.378 22.827 10.263 1.00 40.93 O +HETATM 2925 O HOH A 357 10.735 47.015 19.365 1.00 40.35 O +HETATM 2926 O HOH A 358 10.266 19.275 26.787 1.00 41.46 O +HETATM 2927 O HOH A 359 13.771 44.739 17.233 1.00 35.03 O +HETATM 2928 O HOH A 360 4.150 23.566 26.765 1.00 42.59 O +HETATM 2929 O HOH A 361 27.387 40.772 5.135 1.00 44.03 O +HETATM 2930 O HOH A 362 27.385 39.956 0.816 1.00 40.67 O +HETATM 2931 O HOH A 363 21.651 41.917 15.084 1.00 42.11 O +HETATM 2932 O HOH A 364 26.671 28.381 26.576 1.00 43.64 O +HETATM 2933 O HOH A 365 0.711 26.421 9.696 1.00 42.26 O +HETATM 2934 O HOH A 366 13.289 46.287 14.896 1.00 42.01 O +HETATM 2935 O BHOH A 367 25.840 40.202 12.500 0.50 21.47 O +HETATM 2936 O AHOH A 368 26.419 38.607 11.162 0.50 27.61 O +HETATM 2937 O HOH A 369 5.024 25.159 6.821 1.00 49.54 O +HETATM 2938 O HOH A 370 15.784 27.459 4.605 1.00 48.72 O +HETATM 2939 O HOH A 371 -2.260 41.560 9.605 1.00 49.98 O +HETATM 2940 O HOH A 372 5.946 29.542 2.398 1.00 48.73 O +HETATM 2941 O HOH B 301 5.602 -1.430 13.143 1.00 27.41 O +HETATM 2942 O HOH B 302 0.868 14.297 19.988 1.00 26.98 O +HETATM 2943 O HOH B 303 9.575 18.622 19.710 1.00 26.97 O +HETATM 2944 O HOH B 304 7.326 17.018 16.253 1.00 26.76 O +HETATM 2945 O HOH B 305 5.045 17.526 15.076 1.00 31.55 O +HETATM 2946 O HOH B 306 7.261 -2.095 30.595 1.00 25.23 O +HETATM 2947 O HOH B 307 3.548 -1.955 24.782 1.00 36.33 O +HETATM 2948 O HOH B 308 0.867 4.799 20.418 1.00 29.38 O +HETATM 2949 O HOH B 309 5.410 -8.248 19.115 1.00 31.27 O +HETATM 2950 O HOH B 310 12.946 15.693 25.099 1.00 30.64 O +HETATM 2951 O HOH B 311 6.558 6.153 32.581 1.00 32.48 O +HETATM 2952 O HOH B 312 3.287 -8.326 12.255 1.00 38.20 O +HETATM 2953 O HOH B 313 3.058 1.767 2.439 1.00 39.06 O +HETATM 2954 O HOH B 314 4.353 7.886 31.881 1.00 44.10 O +HETATM 2955 O HOH B 315 7.375 17.255 22.817 1.00 38.56 O +HETATM 2956 O HOH B 316 -2.239 12.106 0.692 1.00 35.63 O +HETATM 2957 O HOH B 317 11.033 -5.181 7.575 1.00 38.08 O +HETATM 2958 O HOH B 318 9.690 -7.797 9.341 1.00 59.33 O +HETATM 2959 O HOH B 319 -4.132 3.357 13.679 1.00 38.72 O +HETATM 2960 O HOH B 320 -6.596 -6.786 20.980 1.00 39.88 O +HETATM 2961 O HOH B 321 17.673 11.225 28.518 1.00 40.72 O +HETATM 2962 O HOH B 322 -2.398 7.583 -8.131 1.00 39.89 O +HETATM 2963 O HOH B 323 3.396 19.614 3.815 1.00 37.06 O +HETATM 2964 O HOH B 324 12.621 10.067 -0.105 1.00 41.39 O +HETATM 2965 O HOH B 325 5.723 -10.208 12.453 1.00 35.85 O +HETATM 2966 O HOH B 326 11.724 -6.536 9.850 1.00 42.09 O +HETATM 2967 O HOH B 327 -2.892 5.982 4.247 1.00 37.51 O +HETATM 2968 O HOH B 328 14.809 14.185 26.488 1.00 31.79 O +HETATM 2969 O HOH B 329 -0.027 5.712 23.359 1.00 46.59 O +HETATM 2970 O HOH B 330 15.296 11.165 24.930 1.00 40.88 O +HETATM 2971 O HOH B 331 -1.961 16.152 13.830 1.00 42.45 O +HETATM 2972 O HOH B 332 -1.993 7.366 9.913 1.00 43.08 O +HETATM 2973 O HOH B 333 6.301 -6.901 6.917 1.00 34.88 O +HETATM 2974 O HOH B 334 2.383 8.045 -7.451 1.00 36.88 O +HETATM 2975 O HOH B 335 13.913 -8.985 15.323 1.00 40.48 O +HETATM 2976 O HOH B 336 13.541 -6.697 14.430 1.00 34.68 O +HETATM 2977 O HOH B 337 4.830 -4.165 -0.042 1.00 47.97 O +HETATM 2978 O HOH B 338 3.254 -1.942 -0.364 1.00 43.32 O +HETATM 2979 O HOH B 339 -1.439 12.491 20.462 1.00 46.82 O +HETATM 2980 O HOH B 340 4.647 8.736 -5.036 1.00 40.20 O +HETATM 2981 O HOH B 341 7.644 -11.273 16.068 1.00 40.47 O +HETATM 2982 O HOH B 342 18.569 -4.719 9.604 1.00 45.80 O +HETATM 2983 O HOH B 343 17.536 -6.469 8.092 1.00 47.65 O +HETATM 2984 O HOH B 344 2.316 21.379 -5.262 1.00 46.02 O +HETATM 2985 O HOH B 345 -2.618 6.957 12.153 1.00 50.66 O +HETATM 2986 O HOH B 346 15.533 12.665 31.413 1.00 41.69 O +HETATM 2987 O HOH B 347 0.415 -9.777 13.407 1.00 52.15 O +HETATM 2988 O HOH B 348 -1.704 16.884 11.044 1.00 51.84 O +HETATM 2989 O HOH B 349 1.536 19.236 9.366 1.00 46.37 O +HETATM 2990 O HOH B 350 12.609 -6.760 5.509 1.00 50.46 O +CONECT 584 2867 +CONECT 609 2867 +CONECT 636 2867 +CONECT 2015 2868 +CONECT 2040 2868 +CONECT 2067 2868 +CONECT 2867 584 609 636 +CONECT 2868 2015 2040 2067 +MASTER 514 0 2 18 0 0 2 6 2922 2 8 30 +END diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/pdbs/6EHB.pdb b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/pdbs/6EHB.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c6bb114c973908fd9ad502e41ece209e3a8478be --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_homooligomers/pdbs/6EHB.pdb @@ -0,0 +1,9167 @@ +HEADER MEMBRANE PROTEIN 13-SEP-17 6EHB +TITLE OMPU, AN OUTER MEMBRANE PROTEIN, OF VIBRIO CHOLERAE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN U; +COMPND 3 CHAIN: A, B, C; +COMPND 4 SYNONYM: PORIN OMPU; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE SEROTYPE O1 (STRAIN ATCC 39541 +SOURCE 3 / CLASSICAL OGAWA 395 / O395); +SOURCE 4 ORGANISM_TAXID: 345073; +SOURCE 5 STRAIN: ATCC 39541 / CLASSICAL OGAWA 395 / O395; +SOURCE 6 GENE: OMPU, VC0395_A0162, VC395_0650; +SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 9 EXPRESSION_SYSTEM_VARIANT: OMP8; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PBAD24A +KEYWDS OUTER MEMBRANE PROTEIN, PORIN, OMPF OR OMPC ORTHOLOG, ION-TRANSPORT, +KEYWDS 2 MEMBRANE BETA BARREL, ION-CHANNEL, MEMBRANE PROTEIN, DIFFUSION +KEYWDS 3 PORIN, DIFFUSION CHANNEL, NON-SPECIFIC PORIN. +EXPDTA X-RAY DIFFRACTION +AUTHOR B.VAN DEN BERG,M.PATHANIA +REVDAT 3 03-OCT-18 6EHB 1 REMARK +REVDAT 2 09-MAY-18 6EHB 1 JRNL +REVDAT 1 25-APR-18 6EHB 0 +JRNL AUTH M.PATHANIA,S.ACOSTA-GUTIERREZ,S.P.BHAMIDIMARRI,A.BASLE, +JRNL AUTH 2 M.WINTERHALTER,M.CECCARELLI,B.VAN DEN BERG +JRNL TITL UNUSUAL CONSTRICTION ZONES IN THE MAJOR PORINS OMPU AND OMPT +JRNL TITL 2 FROM VIBRIO CHOLERAE. +JRNL REF STRUCTURE V. 26 708 2018 +JRNL REFN ISSN 1878-4186 +JRNL PMID 29657131 +JRNL DOI 10.1016/J.STR.2018.03.010 +REMARK 2 +REMARK 2 RESOLUTION. 1.55 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0158 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.49 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 97.1 +REMARK 3 NUMBER OF REFLECTIONS : 163191 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.172 +REMARK 3 R VALUE (WORKING SET) : 0.170 +REMARK 3 FREE R VALUE : 0.199 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 +REMARK 3 FREE R VALUE TEST SET COUNT : 8445 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.55 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.59 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 11813 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.08 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2740 +REMARK 3 BIN FREE R VALUE SET COUNT : 586 +REMARK 3 BIN FREE R VALUE : 0.2790 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 7301 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 202 +REMARK 3 SOLVENT ATOMS : 639 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.58 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.81000 +REMARK 3 B22 (A**2) : -0.45000 +REMARK 3 B33 (A**2) : -0.32000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : -0.03000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.068 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.071 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.052 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.500 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.966 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.958 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 7656 ; 0.023 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): 6773 ; 0.002 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 10268 ; 2.149 ; 1.956 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 15689 ; 1.046 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 964 ; 6.796 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 396 ;35.847 ;25.025 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 1148 ;11.967 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 33 ;15.589 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 1059 ; 0.134 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 8808 ; 0.012 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 1653 ; 0.001 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 3832 ; 2.285 ; 2.067 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 3831 ; 2.284 ; 2.067 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 4786 ; 3.119 ; 3.091 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 4787 ; 3.119 ; 3.091 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 3824 ; 3.566 ; 2.580 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 3825 ; 3.565 ; 2.581 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 5477 ; 5.284 ; 3.656 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 8346 ; 6.559 ;25.421 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 8347 ; 6.559 ;25.426 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : NULL +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING +REMARK 3 POSITIONS +REMARK 4 +REMARK 4 6EHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 13-SEP-17. +REMARK 100 THE DEPOSITION ID IS D_1200006599. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 12-DEC-14 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 6.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : DIAMOND +REMARK 200 BEAMLINE : I03 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.97949 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : PIXEL +REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M-F +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : AIMLESS +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 171689 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.550 +REMARK 200 RESOLUTION RANGE LOW (A) : 49.490 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 +REMARK 200 DATA REDUNDANCY : 3.900 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 9.8000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.55 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : 95.0 +REMARK 200 DATA REDUNDANCY IN SHELL : 4.00 +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.400 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: MOLREP +REMARK 200 STARTING MODEL: 3UPG +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 58.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM ACETATE, 0.1 M MES, 28% +REMARK 280 W/V 400 PEG, PH 6.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE +REMARK 280 298K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 76.92000 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 19110 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 39160 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 24.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 ASP A 301 +REMARK 465 LYS A 302 +REMARK 465 SER B 300 +REMARK 465 ASP B 301 +REMARK 465 LYS B 302 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O HOH A 601 O HOH A 638 1.74 +REMARK 500 O HOH B 627 O HOH C 541 1.78 +REMARK 500 O HOH C 718 O HOH C 725 1.86 +REMARK 500 O HOH A 622 O HOH B 531 1.86 +REMARK 500 O HOH A 695 O HOH A 696 1.87 +REMARK 500 O HOH A 695 O HOH A 701 1.88 +REMARK 500 O HOH B 666 O HOH B 681 1.96 +REMARK 500 O HOH A 501 O HOH A 671 2.01 +REMARK 500 O HOH B 604 O HOH B 609 2.03 +REMARK 500 O HOH C 508 O HOH C 513 2.08 +REMARK 500 O HOH B 502 O HOH B 640 2.08 +REMARK 500 O HOH A 612 O HOH A 625 2.12 +REMARK 500 O HOH C 502 O HOH C 552 2.14 +REMARK 500 O HOH C 503 O HOH C 706 2.17 +REMARK 500 O HOH C 719 O HOH C 735 2.18 +REMARK 500 O HOH A 501 O HOH A 638 2.19 +REMARK 500 OG1 THR B 95 O HOH B 501 2.19 +REMARK 500 O HOH C 552 O HOH C 710 2.19 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OH TYR B 244 O9 C8E C 405 1656 1.95 +REMARK 500 ND2 ASN B 173 OE2 GLU B 222 1554 2.01 +REMARK 500 O HOH B 674 O HOH C 727 1655 2.06 +REMARK 500 OH TYR B 244 C8 C8E C 405 1656 2.08 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 ARG B 86 CZ ARG B 86 NH1 -0.088 +REMARK 500 TYR B 244 CB TYR B 244 CG -0.092 +REMARK 500 TYR C 213 CB TYR C 213 CG -0.103 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ASP A 1 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES +REMARK 500 ASP A 57 CB - CG - OD1 ANGL. DEV. = 6.2 DEGREES +REMARK 500 ASP A 113 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES +REMARK 500 ARG A 134 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 ASP A 136 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES +REMARK 500 ARG A 220 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES +REMARK 500 ARG A 220 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES +REMARK 500 ASP A 319 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES +REMARK 500 ASP B 8 CB - CG - OD1 ANGL. DEV. = 6.4 DEGREES +REMARK 500 ASP B 113 CB - CG - OD2 ANGL. DEV. = -7.3 DEGREES +REMARK 500 PHE B 114 CB - CG - CD1 ANGL. DEV. = 4.3 DEGREES +REMARK 500 ARG B 134 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES +REMARK 500 ARG B 155 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES +REMARK 500 ASP B 278 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES +REMARK 500 ARG C 86 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES +REMARK 500 ASP C 133 CB - CG - OD2 ANGL. DEV. = -5.6 DEGREES +REMARK 500 ARG C 134 NE - CZ - NH1 ANGL. DEV. = 4.9 DEGREES +REMARK 500 ASP C 310 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES +REMARK 500 ARG C 317 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ALA A 17 112.35 -173.20 +REMARK 500 LYS A 18 57.54 79.27 +REMARK 500 ASN A 72 67.41 -150.36 +REMARK 500 ASN A 81 69.57 -107.46 +REMARK 500 TYR A 120 -43.39 -133.32 +REMARK 500 ALA A 126 51.79 -150.00 +REMARK 500 ASP A 133 -95.08 -103.79 +REMARK 500 GLU A 182 34.56 -94.40 +REMARK 500 ASP A 208 -110.74 48.59 +REMARK 500 MET A 221 -166.91 -107.90 +REMARK 500 ASP A 273 89.18 -153.67 +REMARK 500 ASN B 72 66.51 -151.06 +REMARK 500 ASN B 81 74.25 -101.32 +REMARK 500 TYR B 120 -48.93 -139.91 +REMARK 500 ALA B 126 48.71 -149.09 +REMARK 500 ASP B 133 -95.82 -103.70 +REMARK 500 GLU B 182 40.37 -90.97 +REMARK 500 ASP B 208 -117.89 54.32 +REMARK 500 ASN C 72 67.09 -150.45 +REMARK 500 ASN C 81 72.08 -101.94 +REMARK 500 TYR C 120 -41.66 -139.32 +REMARK 500 ALA C 126 52.46 -146.35 +REMARK 500 ASP C 133 -96.25 -98.14 +REMARK 500 SER C 178 -159.24 -133.78 +REMARK 500 GLU C 182 42.76 -92.82 +REMARK 500 ASP C 208 -116.68 51.22 +REMARK 500 ASN C 223 -0.83 69.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 ASN C 81 11.02 +REMARK 500 GLY C 102 -10.30 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 C8E A 401 +REMARK 610 C8E A 402 +REMARK 610 C8E A 403 +REMARK 610 C8E A 404 +REMARK 610 C8E A 405 +REMARK 610 C8E A 406 +REMARK 610 C8E A 407 +REMARK 610 C8E B 401 +REMARK 610 C8E B 402 +REMARK 610 C8E B 403 +REMARK 610 C8E B 404 +REMARK 610 C8E B 405 +REMARK 610 C8E B 406 +REMARK 610 C8E B 407 +REMARK 610 C8E C 401 +REMARK 610 C8E C 402 +REMARK 610 C8E C 403 +REMARK 610 C8E C 404 +REMARK 610 C8E C 405 +REMARK 610 C8E C 406 +REMARK 610 C8E C 407 +REMARK 610 C8E C 408 +REMARK 610 C8E C 409 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E A 401 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E A 402 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E A 403 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E A 404 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E A 405 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E A 406 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E B 401 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E B 402 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E B 403 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E B 404 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E B 405 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E B 406 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E B 407 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 401 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 402 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 403 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 404 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AD9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 405 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AE1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 406 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AE2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 407 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AE3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 408 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AE4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue C8E C 409 +DBREF 6EHB A 1 320 UNP A5F934 OMPU_VIBC3 22 341 +DBREF 6EHB B 1 320 UNP A5F934 OMPU_VIBC3 22 341 +DBREF 6EHB C 1 320 UNP A5F934 OMPU_VIBC3 22 341 +SEQRES 1 A 320 ASP GLY ILE ASN GLN SER GLY ASP LYS ALA GLY SER THR +SEQRES 2 A 320 VAL TYR SER ALA LYS GLY THR SER LEU GLU VAL GLY GLY +SEQRES 3 A 320 ARG ALA GLU ALA ARG LEU SER LEU LYS ASP GLY LYS ALA +SEQRES 4 A 320 GLN ASP ASN SER ARG VAL ARG LEU ASN PHE LEU GLY LYS +SEQRES 5 A 320 ALA GLU ILE ASN ASP SER LEU TYR GLY VAL GLY PHE TYR +SEQRES 6 A 320 GLU GLY GLU PHE THR THR ASN ASP GLN GLY LYS ASN ALA +SEQRES 7 A 320 SER ASN ASN SER LEU ASP ASN ARG TYR THR TYR ALA GLY +SEQRES 8 A 320 ILE GLY GLY THR TYR GLY GLU VAL THR TYR GLY LYS ASN +SEQRES 9 A 320 ASP GLY ALA LEU GLY VAL ILE THR ASP PHE THR ASP ILE +SEQRES 10 A 320 MET SER TYR HIS GLY ASN THR ALA ALA GLU LYS ILE ALA +SEQRES 11 A 320 VAL ALA ASP ARG VAL ASP ASN MET LEU ALA TYR LYS GLY +SEQRES 12 A 320 GLN PHE GLY ASP LEU GLY VAL LYS ALA SER TYR ARG PHE +SEQRES 13 A 320 ALA ASP ARG ASN ALA VAL ASP ALA MET GLY ASN VAL VAL +SEQRES 14 A 320 THR GLU THR ASN ALA ALA LYS TYR SER ASP ASN GLY GLU +SEQRES 15 A 320 ASP GLY TYR SER LEU SER ALA ILE TYR THR PHE GLY ASP +SEQRES 16 A 320 THR GLY PHE ASN VAL GLY ALA GLY TYR ALA ASP GLN ASP +SEQRES 17 A 320 ASP GLN ASN GLU TYR MET LEU ALA ALA SER TYR ARG MET +SEQRES 18 A 320 GLU ASN LEU TYR PHE ALA GLY LEU PHE THR ASP GLY GLU +SEQRES 19 A 320 LEU ALA LYS ASP VAL ASP TYR THR GLY TYR GLU LEU ALA +SEQRES 20 A 320 ALA GLY TYR LYS LEU GLY GLN ALA ALA PHE THR ALA THR +SEQRES 21 A 320 TYR ASN ASN ALA GLU THR ALA LYS LYS THR SER ALA ASP +SEQRES 22 A 320 ASN PHE ALA ILE ASP ALA THR TYR TYR PHE LYS PRO ASN +SEQRES 23 A 320 PHE ARG SER TYR ILE SER TYR GLN PHE ASN LEU LEU ASP +SEQRES 24 A 320 SER ASP LYS ALA SER LYS VAL ALA SER GLU ASP GLU LEU +SEQRES 25 A 320 ALA ILE GLY LEU ARG TYR ASP PHE +SEQRES 1 B 320 ASP GLY ILE ASN GLN SER GLY ASP LYS ALA GLY SER THR +SEQRES 2 B 320 VAL TYR SER ALA LYS GLY THR SER LEU GLU VAL GLY GLY +SEQRES 3 B 320 ARG ALA GLU ALA ARG LEU SER LEU LYS ASP GLY LYS ALA +SEQRES 4 B 320 GLN ASP ASN SER ARG VAL ARG LEU ASN PHE LEU GLY LYS +SEQRES 5 B 320 ALA GLU ILE ASN ASP SER LEU TYR GLY VAL GLY PHE TYR +SEQRES 6 B 320 GLU GLY GLU PHE THR THR ASN ASP GLN GLY LYS ASN ALA +SEQRES 7 B 320 SER ASN ASN SER LEU ASP ASN ARG TYR THR TYR ALA GLY +SEQRES 8 B 320 ILE GLY GLY THR TYR GLY GLU VAL THR TYR GLY LYS ASN +SEQRES 9 B 320 ASP GLY ALA LEU GLY VAL ILE THR ASP PHE THR ASP ILE +SEQRES 10 B 320 MET SER TYR HIS GLY ASN THR ALA ALA GLU LYS ILE ALA +SEQRES 11 B 320 VAL ALA ASP ARG VAL ASP ASN MET LEU ALA TYR LYS GLY +SEQRES 12 B 320 GLN PHE GLY ASP LEU GLY VAL LYS ALA SER TYR ARG PHE +SEQRES 13 B 320 ALA ASP ARG ASN ALA VAL ASP ALA MET GLY ASN VAL VAL +SEQRES 14 B 320 THR GLU THR ASN ALA ALA LYS TYR SER ASP ASN GLY GLU +SEQRES 15 B 320 ASP GLY TYR SER LEU SER ALA ILE TYR THR PHE GLY ASP +SEQRES 16 B 320 THR GLY PHE ASN VAL GLY ALA GLY TYR ALA ASP GLN ASP +SEQRES 17 B 320 ASP GLN ASN GLU TYR MET LEU ALA ALA SER TYR ARG MET +SEQRES 18 B 320 GLU ASN LEU TYR PHE ALA GLY LEU PHE THR ASP GLY GLU +SEQRES 19 B 320 LEU ALA LYS ASP VAL ASP TYR THR GLY TYR GLU LEU ALA +SEQRES 20 B 320 ALA GLY TYR LYS LEU GLY GLN ALA ALA PHE THR ALA THR +SEQRES 21 B 320 TYR ASN ASN ALA GLU THR ALA LYS LYS THR SER ALA ASP +SEQRES 22 B 320 ASN PHE ALA ILE ASP ALA THR TYR TYR PHE LYS PRO ASN +SEQRES 23 B 320 PHE ARG SER TYR ILE SER TYR GLN PHE ASN LEU LEU ASP +SEQRES 24 B 320 SER ASP LYS ALA SER LYS VAL ALA SER GLU ASP GLU LEU +SEQRES 25 B 320 ALA ILE GLY LEU ARG TYR ASP PHE +SEQRES 1 C 320 ASP GLY ILE ASN GLN SER GLY ASP LYS ALA GLY SER THR +SEQRES 2 C 320 VAL TYR SER ALA LYS GLY THR SER LEU GLU VAL GLY GLY +SEQRES 3 C 320 ARG ALA GLU ALA ARG LEU SER LEU LYS ASP GLY LYS ALA +SEQRES 4 C 320 GLN ASP ASN SER ARG VAL ARG LEU ASN PHE LEU GLY LYS +SEQRES 5 C 320 ALA GLU ILE ASN ASP SER LEU TYR GLY VAL GLY PHE TYR +SEQRES 6 C 320 GLU GLY GLU PHE THR THR ASN ASP GLN GLY LYS ASN ALA +SEQRES 7 C 320 SER ASN ASN SER LEU ASP ASN ARG TYR THR TYR ALA GLY +SEQRES 8 C 320 ILE GLY GLY THR TYR GLY GLU VAL THR TYR GLY LYS ASN +SEQRES 9 C 320 ASP GLY ALA LEU GLY VAL ILE THR ASP PHE THR ASP ILE +SEQRES 10 C 320 MET SER TYR HIS GLY ASN THR ALA ALA GLU LYS ILE ALA +SEQRES 11 C 320 VAL ALA ASP ARG VAL ASP ASN MET LEU ALA TYR LYS GLY +SEQRES 12 C 320 GLN PHE GLY ASP LEU GLY VAL LYS ALA SER TYR ARG PHE +SEQRES 13 C 320 ALA ASP ARG ASN ALA VAL ASP ALA MET GLY ASN VAL VAL +SEQRES 14 C 320 THR GLU THR ASN ALA ALA LYS TYR SER ASP ASN GLY GLU +SEQRES 15 C 320 ASP GLY TYR SER LEU SER ALA ILE TYR THR PHE GLY ASP +SEQRES 16 C 320 THR GLY PHE ASN VAL GLY ALA GLY TYR ALA ASP GLN ASP +SEQRES 17 C 320 ASP GLN ASN GLU TYR MET LEU ALA ALA SER TYR ARG MET +SEQRES 18 C 320 GLU ASN LEU TYR PHE ALA GLY LEU PHE THR ASP GLY GLU +SEQRES 19 C 320 LEU ALA LYS ASP VAL ASP TYR THR GLY TYR GLU LEU ALA +SEQRES 20 C 320 ALA GLY TYR LYS LEU GLY GLN ALA ALA PHE THR ALA THR +SEQRES 21 C 320 TYR ASN ASN ALA GLU THR ALA LYS LYS THR SER ALA ASP +SEQRES 22 C 320 ASN PHE ALA ILE ASP ALA THR TYR TYR PHE LYS PRO ASN +SEQRES 23 C 320 PHE ARG SER TYR ILE SER TYR GLN PHE ASN LEU LEU ASP +SEQRES 24 C 320 SER ASP LYS ALA SER LYS VAL ALA SER GLU ASP GLU LEU +SEQRES 25 C 320 ALA ILE GLY LEU ARG TYR ASP PHE +HET C8E A 401 6 +HET C8E A 402 12 +HET C8E A 403 11 +HET C8E A 404 5 +HET C8E A 405 9 +HET C8E A 406 10 +HET C8E A 407 8 +HET C8E B 401 8 +HET C8E B 402 5 +HET C8E B 403 9 +HET C8E B 404 9 +HET C8E B 405 11 +HET C8E B 406 4 +HET C8E B 407 9 +HET C8E C 401 8 +HET C8E C 402 7 +HET C8E C 403 5 +HET C8E C 404 14 +HET C8E C 405 10 +HET C8E C 406 7 +HET C8E C 407 11 +HET C8E C 408 10 +HET C8E C 409 14 +HETNAM C8E (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE +FORMUL 4 C8E 23(C16 H34 O5) +FORMUL 27 HOH *639(H2 O) +HELIX 1 1 GLY A 109 PHE A 114 1 6 +HELIX 2 2 ALA A 130 ALA A 132 5 3 +HELIX 3 3 GLU A 171 ASN A 173 5 3 +HELIX 4 4 VAL A 306 SER A 308 5 3 +HELIX 5 5 GLY B 109 PHE B 114 1 6 +HELIX 6 6 ALA B 130 ALA B 132 5 3 +HELIX 7 7 GLU B 171 ASN B 173 5 3 +HELIX 8 8 VAL B 306 SER B 308 5 3 +HELIX 9 9 GLY C 109 PHE C 114 1 6 +HELIX 10 10 ALA C 130 ALA C 132 5 3 +HELIX 11 11 GLU C 171 ASN C 173 5 3 +HELIX 12 12 GLY C 194 THR C 196 5 3 +HELIX 13 13 VAL C 306 SER C 308 5 3 +SHEET 1 A17 ARG A 44 ALA A 53 0 +SHEET 2 A17 THR A 20 LEU A 34 -1 N GLU A 29 O ARG A 44 +SHEET 3 A17 GLU A 311 ASP A 319 -1 N TYR A 318 O ALA A 28 +SHEET 4 A17 PHE A 287 ASN A 296 -1 N GLN A 294 O GLU A 311 +SHEET 5 A17 LYS A 269 LYS A 284 -1 N LYS A 284 O PHE A 287 +SHEET 6 A17 ALA A 255 THR A 266 -1 N THR A 266 O LYS A 269 +SHEET 7 A17 VAL A 239 LEU A 252 -1 N LEU A 252 O ALA A 255 +SHEET 8 A17 LEU A 224 ALA A 236 -1 N ALA A 236 O VAL A 239 +SHEET 9 A17 GLN A 210 ARG A 220 -1 N TYR A 219 O PHE A 226 +SHEET 10 A17 PHE A 198 GLN A 207 -1 N GLN A 207 O GLN A 210 +SHEET 11 A17 GLY A 184 THR A 192 -1 N TYR A 191 O VAL A 200 +SHEET 12 A17 LEU A 148 ARG A 155 -1 N ARG A 155 O GLY A 184 +SHEET 13 A17 MET A 138 PHE A 145 -1 N PHE A 145 O LEU A 148 +SHEET 14 A17 GLY A 97 LYS A 103 -1 N THR A 100 O ALA A 140 +SHEET 15 A17 LEU A 83 GLY A 94 -1 N GLY A 94 O GLY A 97 +SHEET 16 A17 LEU A 59 PHE A 69 -1 N GLU A 68 O ASP A 84 +SHEET 17 A17 VAL A 45 ASN A 56 -1 N ASN A 56 O LEU A 59 +SHEET 1 B 2 LEU A 32 LYS A 35 0 +SHEET 2 B 2 LYS A 38 ASP A 41 -1 N GLN A 40 O SER A 33 +SHEET 1 C 2 ARG A 159 VAL A 162 0 +SHEET 2 C 2 LYS A 176 ASP A 179 -1 N SER A 178 O ASN A 160 +SHEET 1 D 2 SER A 12 SER A 16 0 +SHEET 2 D 2 SER A 21 VAL A 24 -1 N VAL A 24 O SER A 12 +SHEET 1 E17 ARG B 44 ALA B 53 0 +SHEET 2 E17 THR B 20 LEU B 34 -1 N GLU B 29 O ARG B 44 +SHEET 3 E17 GLU B 311 PHE B 320 -1 N PHE B 320 O GLY B 26 +SHEET 4 E17 PHE B 287 ASN B 296 -1 N GLN B 294 O GLU B 311 +SHEET 5 E17 LYS B 269 LYS B 284 -1 N LYS B 284 O PHE B 287 +SHEET 6 E17 ALA B 255 THR B 266 -1 N THR B 266 O LYS B 269 +SHEET 7 E17 VAL B 239 LEU B 252 -1 N LEU B 252 O ALA B 255 +SHEET 8 E17 LEU B 224 ALA B 236 -1 N ALA B 236 O VAL B 239 +SHEET 9 E17 GLN B 210 MET B 221 -1 N MET B 221 O LEU B 224 +SHEET 10 E17 PHE B 198 GLN B 207 -1 N GLN B 207 O GLN B 210 +SHEET 11 E17 GLY B 184 THR B 192 -1 N TYR B 191 O VAL B 200 +SHEET 12 E17 LEU B 148 ARG B 155 -1 N ARG B 155 O GLY B 184 +SHEET 13 E17 MET B 138 PHE B 145 -1 N PHE B 145 O LEU B 148 +SHEET 14 E17 GLY B 97 LYS B 103 -1 N THR B 100 O ALA B 140 +SHEET 15 E17 LEU B 83 GLY B 94 -1 N GLY B 94 O GLY B 97 +SHEET 16 E17 LEU B 59 PHE B 69 -1 N GLU B 68 O ASP B 84 +SHEET 17 E17 VAL B 45 ASN B 56 -1 N ASN B 56 O LEU B 59 +SHEET 1 F 2 LEU B 32 LYS B 35 0 +SHEET 2 F 2 LYS B 38 ASP B 41 -1 N GLN B 40 O SER B 33 +SHEET 1 G 2 ARG B 159 VAL B 162 0 +SHEET 2 G 2 LYS B 176 ASP B 179 -1 N SER B 178 O ASN B 160 +SHEET 1 H 2 SER B 12 ALA B 17 0 +SHEET 2 H 2 THR B 20 VAL B 24 -1 N VAL B 24 O SER B 12 +SHEET 1 I17 ARG C 44 ALA C 53 0 +SHEET 2 I17 THR C 20 LEU C 34 -1 N GLU C 29 O ARG C 44 +SHEET 3 I17 GLU C 311 PHE C 320 -1 N PHE C 320 O GLY C 26 +SHEET 4 I17 PHE C 287 ASN C 296 -1 N GLN C 294 O GLU C 311 +SHEET 5 I17 LYS C 269 LYS C 284 -1 N LYS C 284 O PHE C 287 +SHEET 6 I17 ALA C 255 THR C 266 -1 N THR C 266 O LYS C 269 +SHEET 7 I17 VAL C 239 LEU C 252 -1 N LEU C 252 O ALA C 255 +SHEET 8 I17 LEU C 224 ALA C 236 -1 N ALA C 236 O VAL C 239 +SHEET 9 I17 GLN C 210 MET C 221 -1 N MET C 221 O LEU C 224 +SHEET 10 I17 PHE C 198 GLN C 207 -1 N GLN C 207 O GLN C 210 +SHEET 11 I17 GLY C 184 THR C 192 -1 N TYR C 191 O VAL C 200 +SHEET 12 I17 LEU C 148 ARG C 155 -1 N ARG C 155 O GLY C 184 +SHEET 13 I17 MET C 138 PHE C 145 -1 N PHE C 145 O LEU C 148 +SHEET 14 I17 GLY C 97 LYS C 103 -1 N THR C 100 O ALA C 140 +SHEET 15 I17 LEU C 83 GLY C 94 -1 N GLY C 94 O GLY C 97 +SHEET 16 I17 LEU C 59 PHE C 69 -1 N GLU C 68 O ASP C 84 +SHEET 17 I17 VAL C 45 ASN C 56 -1 N ASN C 56 O LEU C 59 +SHEET 1 J 2 LEU C 32 LYS C 35 0 +SHEET 2 J 2 LYS C 38 ASP C 41 -1 N GLN C 40 O SER C 33 +SHEET 1 K 2 ARG C 159 VAL C 162 0 +SHEET 2 K 2 LYS C 176 ASP C 179 -1 N SER C 178 O ASN C 160 +SHEET 1 L 2 SER C 12 ALA C 17 0 +SHEET 2 L 2 THR C 20 VAL C 24 -1 N VAL C 24 O SER C 12 +SITE 1 AC1 2 LEU A 32 ILE A 314 +SITE 1 AC2 1 TYR A 191 +SITE 1 AC3 1 PHE A 193 +SITE 1 AC4 2 ALA A 279 SER A 289 +SITE 1 AC5 1 TYR A 204 +SITE 1 AC6 1 ALA A 216 +SITE 1 AC7 3 LEU B 32 ILE B 314 LEU B 316 +SITE 1 AC8 3 TYR B 87 TYR B 89 HOH B 578 +SITE 1 AC9 3 ARG B 220 LYS B 251 TYR B 282 +SITE 1 AD1 4 ALA B 259 C8E B 405 C8E B 406 C8E C 405 +SITE 1 AD2 4 C8E B 404 GLY C 203 TYR C 204 C8E C 405 +SITE 1 AD3 3 TYR B 261 ASP B 273 C8E B 404 +SITE 1 AD4 3 ALA B 279 SER B 289 ILE B 291 +SITE 1 AD5 2 LYS C 251 TYR C 282 +SITE 1 AD6 4 GLN C 5 ASN C 223 GLY C 249 TYR C 250 +SITE 1 AD7 1 GLY C 97 +SITE 1 AD8 6 LEU B 139 LEU C 32 GLY C 37 ILE C 314 +SITE 2 AD8 6 GLY C 315 LEU C 316 +SITE 1 AD9 6 TYR B 244 LEU B 246 TYR B 261 ASN B 263 +SITE 2 AD9 6 C8E B 404 C8E B 405 +SITE 1 AE1 2 ALA C 189 VAL C 200 +SITE 1 AE2 2 LEU C 246 ALA C 259 +SITE 1 AE3 2 PHE C 257 THR C 258 +SITE 1 AE4 5 ALA C 279 TYR C 281 SER C 289 TYR C 290 +SITE 2 AE4 5 HOH C 647 +CRYST1 62.723 153.840 66.170 90.00 102.32 90.00 P 1 21 1 6 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.015943 0.000000 0.003483 0.00000 +SCALE2 0.000000 0.006500 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.015469 0.00000 +ATOM 1 N ASP A 1 -19.250 70.285 67.383 1.00 34.80 N +ATOM 2 CA ASP A 1 -20.692 70.114 67.754 1.00 35.62 C +ATOM 3 C ASP A 1 -21.367 71.520 67.682 1.00 30.78 C +ATOM 4 O ASP A 1 -20.700 72.627 67.739 1.00 28.66 O +ATOM 5 CB ASP A 1 -20.813 69.514 69.157 1.00 34.70 C +ATOM 6 CG ASP A 1 -22.141 68.694 69.387 1.00 37.67 C +ATOM 7 OD1 ASP A 1 -23.142 68.728 68.639 1.00 44.01 O +ATOM 8 OD2 ASP A 1 -22.151 67.995 70.364 1.00 44.32 O +ATOM 9 N GLY A 2 -22.694 71.454 67.625 1.00 31.06 N +ATOM 10 CA GLY A 2 -23.483 72.648 67.630 1.00 27.19 C +ATOM 11 C GLY A 2 -23.133 73.546 66.420 1.00 21.48 C +ATOM 12 O GLY A 2 -23.075 73.079 65.222 1.00 22.22 O +ATOM 13 N ILE A 3 -22.833 74.792 66.716 1.00 20.49 N +ATOM 14 CA ILE A 3 -22.529 75.759 65.665 1.00 20.24 C +ATOM 15 C ILE A 3 -21.230 75.414 64.984 1.00 18.93 C +ATOM 16 O ILE A 3 -21.055 75.766 63.854 1.00 18.51 O +ATOM 17 CB ILE A 3 -22.506 77.217 66.133 1.00 26.58 C +ATOM 18 CG1 ILE A 3 -21.475 77.434 67.184 1.00 28.59 C +ATOM 19 CG2 ILE A 3 -23.884 77.599 66.677 1.00 33.52 C +ATOM 20 CD1 ILE A 3 -20.698 78.682 66.920 1.00 42.48 C +ATOM 21 N ASN A 4 -20.334 74.697 65.652 1.00 18.35 N +ATOM 22 CA ASN A 4 -19.100 74.256 65.009 1.00 16.76 C +ATOM 23 C ASN A 4 -19.364 72.959 64.359 1.00 17.02 C +ATOM 24 O ASN A 4 -19.091 71.856 64.891 1.00 17.52 O +ATOM 25 CB ASN A 4 -18.026 74.156 66.069 1.00 18.34 C +ATOM 26 CG ASN A 4 -17.800 75.499 66.715 1.00 19.73 C +ATOM 27 OD1 ASN A 4 -17.928 75.673 67.958 1.00 20.98 O +ATOM 28 ND2 ASN A 4 -17.410 76.469 65.869 1.00 18.74 N +ATOM 29 N GLN A 5 -19.990 73.080 63.223 1.00 16.60 N +ATOM 30 CA GLN A 5 -20.613 71.947 62.573 1.00 16.11 C +ATOM 31 C GLN A 5 -19.592 70.842 62.265 1.00 16.73 C +ATOM 32 O GLN A 5 -19.932 69.654 62.408 1.00 17.53 O +ATOM 33 CB GLN A 5 -21.303 72.394 61.303 1.00 16.31 C +ATOM 34 CG GLN A 5 -22.464 73.336 61.537 1.00 17.66 C +ATOM 35 CD GLN A 5 -23.275 73.614 60.278 1.00 17.23 C +ATOM 36 OE1 GLN A 5 -22.938 74.534 59.437 1.00 20.01 O +ATOM 37 NE2 GLN A 5 -24.284 72.847 60.094 1.00 15.14 N +ATOM 38 N SER A 6 -18.380 71.235 61.881 1.00 14.74 N +ATOM 39 CA SER A 6 -17.374 70.193 61.485 1.00 16.87 C +ATOM 40 C SER A 6 -16.795 69.458 62.669 1.00 17.78 C +ATOM 41 O SER A 6 -16.118 68.437 62.479 1.00 17.13 O +ATOM 42 CB SER A 6 -16.247 70.800 60.687 1.00 18.31 C +ATOM 43 OG SER A 6 -15.422 71.643 61.456 1.00 18.09 O +ATOM 44 N GLY A 7 -16.999 69.937 63.889 1.00 16.09 N +ATOM 45 CA GLY A 7 -16.458 69.331 65.086 1.00 17.58 C +ATOM 46 C GLY A 7 -17.186 68.040 65.442 1.00 14.72 C +ATOM 47 O GLY A 7 -18.344 67.772 65.042 1.00 16.06 O +ATOM 48 N ASP A 8 -16.420 67.226 66.215 1.00 15.94 N +ATOM 49 CA ASP A 8 -16.965 65.972 66.734 1.00 16.68 C +ATOM 50 C ASP A 8 -18.223 66.208 67.585 1.00 21.53 C +ATOM 51 O ASP A 8 -18.313 67.256 68.248 1.00 21.92 O +ATOM 52 CB ASP A 8 -15.943 65.317 67.675 1.00 18.09 C +ATOM 53 CG ASP A 8 -14.775 64.696 66.979 1.00 21.39 C +ATOM 54 OD1 ASP A 8 -14.758 64.505 65.732 1.00 17.27 O +ATOM 55 OD2 ASP A 8 -13.814 64.389 67.700 1.00 23.16 O +ATOM 56 N LYS A 9 -19.128 65.252 67.576 1.00 19.91 N +ATOM 57 CA LYS A 9 -20.248 65.146 68.564 1.00 21.96 C +ATOM 58 C LYS A 9 -19.991 64.105 69.622 1.00 23.98 C +ATOM 59 O LYS A 9 -19.250 63.144 69.421 1.00 20.36 O +ATOM 60 CB LYS A 9 -21.539 64.735 67.881 1.00 24.54 C +ATOM 61 CG LYS A 9 -22.081 65.693 66.813 1.00 30.12 C +ATOM 62 CD LYS A 9 -23.531 65.388 66.493 1.00 31.67 C +ATOM 63 CE LYS A 9 -24.491 66.050 67.493 1.00 41.79 C +ATOM 64 NZ LYS A 9 -25.508 65.076 67.875 1.00 53.53 N +ATOM 65 N ALA A 10 -20.554 64.259 70.833 1.00 21.20 N +ATOM 66 CA ALA A 10 -20.460 63.188 71.809 1.00 24.00 C +ATOM 67 C ALA A 10 -20.931 61.864 71.316 1.00 21.67 C +ATOM 68 O ALA A 10 -21.809 61.784 70.489 1.00 24.25 O +ATOM 69 CB ALA A 10 -21.279 63.539 73.048 1.00 27.21 C +ATOM 70 N GLY A 11 -20.165 60.859 71.740 1.00 20.58 N +ATOM 71 CA GLY A 11 -20.405 59.494 71.425 1.00 22.53 C +ATOM 72 C GLY A 11 -21.563 58.841 72.144 1.00 26.04 C +ATOM 73 O GLY A 11 -22.329 59.511 72.812 1.00 23.52 O +ATOM 74 N SER A 12 -21.731 57.578 71.832 1.00 21.51 N +ATOM 75 CA SER A 12 -22.800 56.698 72.331 1.00 23.42 C +ATOM 76 C SER A 12 -22.234 55.955 73.563 1.00 23.07 C +ATOM 77 O SER A 12 -21.173 55.315 73.523 1.00 22.08 O +ATOM 78 CB SER A 12 -23.250 55.755 71.240 1.00 24.71 C +ATOM 79 OG SER A 12 -24.003 56.399 70.181 1.00 27.39 O +ATOM 80 N THR A 13 -23.072 55.869 74.609 1.00 22.78 N +ATOM 81 CA THR A 13 -22.646 55.192 75.839 1.00 23.92 C +ATOM 82 C THR A 13 -22.823 53.683 75.685 1.00 22.49 C +ATOM 83 O THR A 13 -23.887 53.259 75.497 1.00 26.99 O +ATOM 84 CB THR A 13 -23.466 55.752 77.025 1.00 24.24 C +ATOM 85 OG1 THR A 13 -23.179 57.121 77.222 1.00 28.55 O +ATOM 86 CG2 THR A 13 -22.987 55.034 78.348 1.00 25.25 C +ATOM 87 N VAL A 14 -21.754 52.899 75.695 1.00 20.59 N +ATOM 88 CA VAL A 14 -21.784 51.488 75.476 1.00 22.58 C +ATOM 89 C VAL A 14 -21.618 50.695 76.781 1.00 25.17 C +ATOM 90 O VAL A 14 -21.898 49.540 76.807 1.00 25.42 O +ATOM 91 CB VAL A 14 -20.707 50.976 74.466 1.00 21.81 C +ATOM 92 CG1 VAL A 14 -20.970 51.571 73.122 1.00 24.49 C +ATOM 93 CG2 VAL A 14 -19.279 51.197 74.929 1.00 21.69 C +ATOM 94 N TYR A 15 -21.142 51.328 77.801 1.00 24.19 N +ATOM 95 CA TYR A 15 -21.027 50.738 79.108 1.00 26.00 C +ATOM 96 C TYR A 15 -21.253 51.908 80.080 1.00 25.52 C +ATOM 97 O TYR A 15 -20.652 53.017 79.980 1.00 22.70 O +ATOM 98 CB TYR A 15 -19.634 50.195 79.289 1.00 23.17 C +ATOM 99 CG TYR A 15 -19.371 49.636 80.684 1.00 24.93 C +ATOM 100 CD1 TYR A 15 -19.857 48.411 81.041 1.00 27.63 C +ATOM 101 CD2 TYR A 15 -18.672 50.356 81.610 1.00 24.83 C +ATOM 102 CE1 TYR A 15 -19.635 47.884 82.327 1.00 29.88 C +ATOM 103 CE2 TYR A 15 -18.458 49.865 82.908 1.00 30.14 C +ATOM 104 CZ TYR A 15 -18.941 48.611 83.243 1.00 34.24 C +ATOM 105 OH TYR A 15 -18.723 48.137 84.545 1.00 38.76 O +ATOM 106 N SER A 16 -22.048 51.639 81.138 1.00 28.64 N +ATOM 107 CA SER A 16 -22.207 52.597 82.175 1.00 28.33 C +ATOM 108 C SER A 16 -22.556 51.815 83.430 1.00 36.18 C +ATOM 109 O SER A 16 -23.451 50.956 83.404 1.00 37.04 O +ATOM 110 CB SER A 16 -23.321 53.566 81.857 1.00 31.79 C +ATOM 111 OG SER A 16 -23.343 54.579 82.850 1.00 40.68 O +ATOM 112 N ALA A 17 -21.826 52.075 84.473 1.00 29.83 N +ATOM 113 CA ALA A 17 -22.151 51.414 85.739 1.00 40.87 C +ATOM 114 C ALA A 17 -21.283 51.994 86.830 1.00 51.23 C +ATOM 115 O ALA A 17 -20.068 51.747 86.811 1.00 52.43 O +ATOM 116 CB ALA A 17 -21.931 49.920 85.614 1.00 46.55 C +ATOM 117 N LYS A 18 -21.924 52.726 87.780 1.00 59.40 N +ATOM 118 CA LYS A 18 -21.316 53.209 89.067 1.00 54.66 C +ATOM 119 C LYS A 18 -20.447 54.445 88.909 1.00 47.54 C +ATOM 120 O LYS A 18 -19.261 54.431 89.250 1.00 55.62 O +ATOM 121 CB LYS A 18 -20.461 52.117 89.761 1.00 65.51 C +ATOM 122 CG LYS A 18 -21.068 50.706 89.871 1.00 66.12 C +ATOM 123 CD LYS A 18 -22.524 50.713 90.323 1.00 71.25 C +ATOM 124 CE LYS A 18 -23.027 49.298 90.492 1.00 72.88 C +ATOM 125 NZ LYS A 18 -23.028 48.538 89.214 1.00 73.78 N +ATOM 126 N GLY A 19 -21.011 55.520 88.384 1.00 46.58 N +ATOM 127 CA GLY A 19 -20.224 56.694 87.947 1.00 42.48 C +ATOM 128 C GLY A 19 -19.052 56.414 86.960 1.00 43.09 C +ATOM 129 O GLY A 19 -18.183 57.298 86.762 1.00 44.21 O +ATOM 130 N THR A 20 -18.998 55.204 86.398 1.00 36.21 N +ATOM 131 CA THR A 20 -18.010 54.857 85.312 1.00 39.91 C +ATOM 132 C THR A 20 -18.681 54.583 83.965 1.00 30.09 C +ATOM 133 O THR A 20 -19.618 53.821 83.881 1.00 28.58 O +ATOM 134 CB THR A 20 -17.140 53.673 85.696 1.00 41.15 C +ATOM 135 OG1 THR A 20 -16.326 54.088 86.775 1.00 50.81 O +ATOM 136 CG2 THR A 20 -16.212 53.275 84.536 1.00 45.19 C +ATOM 137 N SER A 21 -18.166 55.222 82.891 1.00 26.09 N +ATOM 138 CA SER A 21 -18.808 55.110 81.578 1.00 25.37 C +ATOM 139 C SER A 21 -17.759 55.006 80.444 1.00 20.55 C +ATOM 140 O SER A 21 -16.642 55.495 80.589 1.00 21.29 O +ATOM 141 CB SER A 21 -19.721 56.270 81.294 1.00 25.33 C +ATOM 142 OG SER A 21 -18.976 57.514 81.297 1.00 30.17 O +ATOM 143 N LEU A 22 -18.209 54.364 79.341 1.00 20.16 N +ATOM 144 CA LEU A 22 -17.418 54.234 78.088 1.00 19.80 C +ATOM 145 C LEU A 22 -18.306 54.661 76.967 1.00 18.86 C +ATOM 146 O LEU A 22 -19.361 54.111 76.798 1.00 18.10 O +ATOM 147 CB LEU A 22 -16.924 52.801 77.837 1.00 20.93 C +ATOM 148 CG LEU A 22 -15.981 52.708 76.597 1.00 21.96 C +ATOM 149 CD1 LEU A 22 -14.726 53.501 76.759 1.00 23.74 C +ATOM 150 CD2 LEU A 22 -15.535 51.215 76.386 1.00 21.97 C +ATOM 151 N GLU A 23 -17.869 55.677 76.211 1.00 18.78 N +ATOM 152 CA GLU A 23 -18.606 56.224 75.082 1.00 20.32 C +ATOM 153 C GLU A 23 -17.750 55.946 73.831 1.00 17.98 C +ATOM 154 O GLU A 23 -16.564 56.293 73.842 1.00 18.51 O +ATOM 155 CB GLU A 23 -18.849 57.736 75.187 1.00 21.46 C +ATOM 156 CG GLU A 23 -19.778 58.154 76.329 1.00 26.40 C +ATOM 157 CD GLU A 23 -19.871 59.664 76.504 1.00 33.98 C +ATOM 158 OE1 GLU A 23 -19.520 60.428 75.613 1.00 36.91 O +ATOM 159 OE2 GLU A 23 -20.330 60.080 77.557 1.00 41.27 O +ATOM 160 N VAL A 24 -18.419 55.457 72.808 1.00 18.36 N +ATOM 161 CA VAL A 24 -17.763 55.164 71.522 1.00 16.19 C +ATOM 162 C VAL A 24 -18.450 56.184 70.594 1.00 18.26 C +ATOM 163 O VAL A 24 -19.646 56.227 70.459 1.00 20.12 O +ATOM 164 CB VAL A 24 -18.030 53.731 71.021 1.00 19.60 C +ATOM 165 CG1 VAL A 24 -17.475 53.535 69.597 1.00 20.18 C +ATOM 166 CG2 VAL A 24 -17.349 52.778 72.006 1.00 18.37 C +ATOM 167 N GLY A 25 -17.624 57.013 69.937 1.00 16.90 N +ATOM 168 CA GLY A 25 -18.135 58.010 69.080 1.00 16.49 C +ATOM 169 C GLY A 25 -17.259 58.054 67.831 1.00 14.88 C +ATOM 170 O GLY A 25 -16.445 57.140 67.541 1.00 15.66 O +ATOM 171 N GLY A 26 -17.407 59.134 67.099 1.00 15.33 N +ATOM 172 CA GLY A 26 -16.685 59.341 65.803 1.00 13.53 C +ATOM 173 C GLY A 26 -17.686 59.543 64.713 1.00 14.57 C +ATOM 174 O GLY A 26 -18.817 59.924 64.949 1.00 14.96 O +ATOM 175 N ARG A 27 -17.231 59.309 63.482 1.00 13.00 N +ATOM 176 CA ARG A 27 -18.120 59.559 62.341 1.00 13.56 C +ATOM 177 C ARG A 27 -17.713 58.726 61.125 1.00 13.07 C +ATOM 178 O ARG A 27 -16.574 58.223 61.086 1.00 13.29 O +ATOM 179 CB ARG A 27 -18.041 61.022 61.857 1.00 13.85 C +ATOM 180 CG ARG A 27 -16.699 61.437 61.277 1.00 13.67 C +ATOM 181 CD ARG A 27 -16.659 62.916 60.939 1.00 15.44 C +ATOM 182 NE ARG A 27 -16.357 63.678 62.201 1.00 14.13 N +ATOM 183 CZ ARG A 27 -16.257 65.006 62.196 1.00 14.46 C +ATOM 184 NH1 ARG A 27 -16.357 65.691 61.041 1.00 14.94 N +ATOM 185 NH2 ARG A 27 -15.976 65.652 63.334 1.00 14.76 N +ATOM 186 N ALA A 28 -18.658 58.559 60.251 1.00 13.62 N +ATOM 187 CA ALA A 28 -18.383 58.081 58.888 1.00 13.21 C +ATOM 188 C ALA A 28 -18.846 59.245 58.026 1.00 14.69 C +ATOM 189 O ALA A 28 -20.043 59.500 57.944 1.00 14.52 O +ATOM 190 CB ALA A 28 -19.116 56.827 58.602 1.00 13.23 C +ATOM 191 N GLU A 29 -17.908 59.923 57.391 1.00 12.20 N +ATOM 192 CA GLU A 29 -18.227 61.201 56.689 1.00 13.31 C +ATOM 193 C GLU A 29 -17.754 61.023 55.229 1.00 12.05 C +ATOM 194 O GLU A 29 -16.582 61.102 54.914 1.00 14.49 O +ATOM 195 CB GLU A 29 -17.589 62.398 57.382 1.00 15.73 C +ATOM 196 CG GLU A 29 -18.030 63.671 56.752 1.00 13.88 C +ATOM 197 CD GLU A 29 -17.546 64.904 57.497 1.00 17.90 C +ATOM 198 OE1 GLU A 29 -16.568 64.895 58.278 1.00 15.84 O +ATOM 199 OE2 GLU A 29 -18.118 65.973 57.248 1.00 19.14 O +ATOM 200 N ALA A 30 -18.746 60.825 54.391 1.00 12.58 N +ATOM 201 CA ALA A 30 -18.494 60.780 52.974 1.00 12.58 C +ATOM 202 C ALA A 30 -18.353 62.145 52.401 1.00 14.80 C +ATOM 203 O ALA A 30 -19.257 63.006 52.673 1.00 14.46 O +ATOM 204 CB ALA A 30 -19.663 60.153 52.297 1.00 13.77 C +ATOM 205 N ARG A 31 -17.301 62.422 51.632 1.00 12.79 N +ATOM 206 CA ARG A 31 -17.013 63.808 51.176 1.00 13.35 C +ATOM 207 C ARG A 31 -16.491 63.731 49.765 1.00 13.87 C +ATOM 208 O ARG A 31 -15.414 63.191 49.526 1.00 14.56 O +ATOM 209 CB ARG A 31 -16.005 64.533 52.047 1.00 11.87 C +ATOM 210 CG ARG A 31 -16.425 64.590 53.514 1.00 13.23 C +ATOM 211 CD ARG A 31 -15.606 65.524 54.351 1.00 13.08 C +ATOM 212 NE ARG A 31 -14.199 65.237 54.360 1.00 15.00 N +ATOM 213 CZ ARG A 31 -13.220 66.018 54.781 1.00 17.33 C +ATOM 214 NH1 ARG A 31 -13.497 67.188 55.445 1.00 16.66 N +ATOM 215 NH2 ARG A 31 -11.955 65.592 54.675 1.00 16.95 N +ATOM 216 N LEU A 32 -17.199 64.351 48.824 1.00 14.59 N +ATOM 217 CA LEU A 32 -16.729 64.429 47.442 1.00 14.94 C +ATOM 218 C LEU A 32 -16.284 65.850 47.185 1.00 15.34 C +ATOM 219 O LEU A 32 -17.072 66.792 47.457 1.00 14.80 O +ATOM 220 CB LEU A 32 -17.884 64.044 46.531 1.00 16.96 C +ATOM 221 CG LEU A 32 -17.652 64.316 45.049 1.00 22.75 C +ATOM 222 CD1 LEU A 32 -16.609 63.531 44.440 1.00 26.93 C +ATOM 223 CD2 LEU A 32 -18.965 64.052 44.315 1.00 25.77 C +ATOM 224 N SER A 33 -15.049 66.029 46.802 1.00 14.83 N +ATOM 225 CA SER A 33 -14.490 67.336 46.411 1.00 15.44 C +ATOM 226 C SER A 33 -14.400 67.465 44.919 1.00 15.54 C +ATOM 227 O SER A 33 -13.796 66.582 44.260 1.00 15.41 O +ATOM 228 CB SER A 33 -13.108 67.479 47.007 1.00 16.51 C +ATOM 229 OG SER A 33 -12.288 68.489 46.389 1.00 16.79 O +ATOM 230 N LEU A 34 -14.894 68.590 44.369 1.00 16.86 N +ATOM 231 CA LEU A 34 -14.847 68.797 42.943 1.00 17.39 C +ATOM 232 C LEU A 34 -14.061 70.078 42.687 1.00 17.88 C +ATOM 233 O LEU A 34 -14.479 71.165 43.150 1.00 18.24 O +ATOM 234 CB LEU A 34 -16.231 68.890 42.376 1.00 19.59 C +ATOM 235 CG LEU A 34 -16.949 67.551 42.292 1.00 27.21 C +ATOM 236 CD1 LEU A 34 -18.453 67.727 42.143 1.00 31.31 C +ATOM 237 CD2 LEU A 34 -16.343 66.730 41.109 1.00 30.77 C +ATOM 238 N LYS A 35 -12.965 69.972 41.967 1.00 16.39 N +ATOM 239 CA LYS A 35 -12.120 71.166 41.593 1.00 16.03 C +ATOM 240 C LYS A 35 -11.831 71.056 40.094 1.00 19.77 C +ATOM 241 O LYS A 35 -11.416 70.004 39.659 1.00 18.93 O +ATOM 242 CB LYS A 35 -10.861 71.302 42.370 1.00 17.75 C +ATOM 243 CG LYS A 35 -11.044 71.457 43.888 1.00 18.48 C +ATOM 244 CD LYS A 35 -9.684 71.539 44.558 1.00 21.94 C +ATOM 245 CE LYS A 35 -9.758 71.524 46.066 1.00 29.70 C +ATOM 246 NZ LYS A 35 -8.339 71.743 46.574 1.00 35.43 N +ATOM 247 N ASP A 36 -12.229 72.067 39.327 1.00 20.64 N +ATOM 248 CA ASP A 36 -12.030 72.030 37.834 1.00 21.86 C +ATOM 249 C ASP A 36 -12.744 70.807 37.238 1.00 22.50 C +ATOM 250 O ASP A 36 -12.274 70.249 36.282 1.00 23.63 O +ATOM 251 CB ASP A 36 -10.563 72.108 37.476 1.00 22.61 C +ATOM 252 CG ASP A 36 -10.321 72.485 35.965 1.00 28.14 C +ATOM 253 OD1 ASP A 36 -11.148 73.209 35.414 1.00 26.86 O +ATOM 254 OD2 ASP A 36 -9.279 72.060 35.431 1.00 39.52 O +ATOM 255 N GLY A 37 -13.881 70.430 37.829 1.00 21.70 N +ATOM 256 CA GLY A 37 -14.770 69.367 37.386 1.00 23.41 C +ATOM 257 C GLY A 37 -14.164 67.977 37.654 1.00 24.56 C +ATOM 258 O GLY A 37 -14.691 66.983 37.182 1.00 25.64 O +ATOM 259 N LYS A 38 -13.134 67.906 38.490 1.00 21.91 N +ATOM 260 CA LYS A 38 -12.434 66.652 38.747 1.00 19.09 C +ATOM 261 C LYS A 38 -12.663 66.268 40.251 1.00 18.71 C +ATOM 262 O LYS A 38 -12.422 67.080 41.144 1.00 16.85 O +ATOM 263 CB LYS A 38 -10.980 66.767 38.429 1.00 19.81 C +ATOM 264 CG LYS A 38 -10.719 66.975 36.888 1.00 22.73 C +ATOM 265 CD LYS A 38 -9.572 67.886 36.714 1.00 24.05 C +ATOM 266 CE LYS A 38 -9.327 67.932 35.191 1.00 30.43 C +ATOM 267 NZ LYS A 38 -10.440 68.554 34.474 1.00 32.63 N +ATOM 268 N ALA A 39 -13.092 65.005 40.446 1.00 17.75 N +ATOM 269 CA ALA A 39 -13.516 64.515 41.779 1.00 16.91 C +ATOM 270 C ALA A 39 -12.364 63.911 42.563 1.00 16.95 C +ATOM 271 O ALA A 39 -11.608 63.082 42.069 1.00 15.79 O +ATOM 272 CB ALA A 39 -14.561 63.426 41.578 1.00 18.52 C +ATOM 273 N GLN A 40 -12.349 64.227 43.866 1.00 16.37 N +ATOM 274 CA GLN A 40 -11.518 63.555 44.835 1.00 14.70 C +ATOM 275 C GLN A 40 -12.327 63.074 46.031 1.00 13.84 C +ATOM 276 O GLN A 40 -13.215 63.805 46.516 1.00 14.17 O +ATOM 277 CB GLN A 40 -10.398 64.459 45.335 1.00 16.67 C +ATOM 278 CG GLN A 40 -9.500 63.814 46.334 1.00 17.20 C +ATOM 279 CD GLN A 40 -8.209 64.538 46.449 1.00 22.12 C +ATOM 280 OE1 GLN A 40 -7.410 64.478 45.522 1.00 23.25 O +ATOM 281 NE2 GLN A 40 -7.985 65.252 47.584 1.00 20.61 N +ATOM 282 N ASP A 41 -12.097 61.812 46.460 1.00 13.45 N +ATOM 283 CA ASP A 41 -12.787 61.256 47.605 1.00 13.38 C +ATOM 284 C ASP A 41 -12.045 61.668 48.855 1.00 12.43 C +ATOM 285 O ASP A 41 -10.904 61.169 49.098 1.00 13.21 O +ATOM 286 CB ASP A 41 -12.869 59.722 47.480 1.00 13.99 C +ATOM 287 CG ASP A 41 -13.624 59.094 48.584 1.00 14.06 C +ATOM 288 OD1 ASP A 41 -13.915 59.761 49.597 1.00 14.12 O +ATOM 289 OD2 ASP A 41 -14.005 57.915 48.467 1.00 13.74 O +ATOM 290 N ASN A 42 -12.633 62.597 49.626 1.00 12.63 N +ATOM 291 CA ASN A 42 -12.019 63.098 50.856 1.00 11.99 C +ATOM 292 C ASN A 42 -12.805 62.536 52.030 1.00 12.42 C +ATOM 293 O ASN A 42 -12.770 63.097 53.136 1.00 13.79 O +ATOM 294 CB ASN A 42 -12.028 64.595 50.837 1.00 13.54 C +ATOM 295 CG ASN A 42 -10.952 65.228 49.964 1.00 15.06 C +ATOM 296 OD1 ASN A 42 -10.002 64.610 49.550 1.00 17.06 O +ATOM 297 ND2 ASN A 42 -11.162 66.546 49.679 1.00 17.30 N +ATOM 298 N SER A 43 -13.430 61.389 51.883 1.00 11.68 N +ATOM 299 CA SER A 43 -14.195 60.731 52.932 1.00 12.72 C +ATOM 300 C SER A 43 -13.262 60.390 54.070 1.00 12.35 C +ATOM 301 O SER A 43 -12.066 60.097 53.890 1.00 14.11 O +ATOM 302 CB SER A 43 -14.952 59.542 52.459 1.00 12.60 C +ATOM 303 OG SER A 43 -15.828 59.815 51.363 1.00 12.74 O +ATOM 304 N ARG A 44 -13.816 60.399 55.246 1.00 14.11 N +ATOM 305 CA ARG A 44 -13.035 60.035 56.444 1.00 14.39 C +ATOM 306 C ARG A 44 -13.940 59.342 57.462 1.00 15.39 C +ATOM 307 O ARG A 44 -15.142 59.657 57.589 1.00 13.98 O +ATOM 308 CB ARG A 44 -12.352 61.230 57.078 1.00 15.21 C +ATOM 309 CG ARG A 44 -13.270 62.332 57.542 1.00 18.02 C +ATOM 310 CD ARG A 44 -12.599 63.611 57.726 1.00 22.11 C +ATOM 311 NE ARG A 44 -13.609 64.640 58.073 1.00 18.91 N +ATOM 312 CZ ARG A 44 -13.273 65.834 58.506 1.00 20.76 C +ATOM 313 NH1 ARG A 44 -12.019 66.222 58.560 1.00 24.91 N +ATOM 314 NH2 ARG A 44 -14.210 66.672 58.729 1.00 22.37 N +ATOM 315 N VAL A 45 -13.339 58.407 58.203 1.00 12.46 N +ATOM 316 CA VAL A 45 -13.971 57.867 59.376 1.00 13.77 C +ATOM 317 C VAL A 45 -13.136 58.317 60.578 1.00 12.53 C +ATOM 318 O VAL A 45 -11.923 58.372 60.566 1.00 12.77 O +ATOM 319 CB VAL A 45 -13.996 56.315 59.320 1.00 12.91 C +ATOM 320 CG1 VAL A 45 -14.124 55.682 60.722 1.00 14.76 C +ATOM 321 CG2 VAL A 45 -15.113 55.882 58.378 1.00 14.08 C +ATOM 322 N ARG A 46 -13.844 58.653 61.627 1.00 12.78 N +ATOM 323 CA ARG A 46 -13.236 58.751 62.977 1.00 13.60 C +ATOM 324 C ARG A 46 -13.864 57.754 63.919 1.00 11.91 C +ATOM 325 O ARG A 46 -15.070 57.507 63.879 1.00 14.18 O +ATOM 326 CB ARG A 46 -13.377 60.164 63.594 1.00 13.28 C +ATOM 327 CG ARG A 46 -12.629 61.171 62.784 1.00 14.76 C +ATOM 328 CD ARG A 46 -12.761 62.567 63.309 1.00 15.00 C +ATOM 329 NE ARG A 46 -11.963 63.481 62.515 1.00 14.81 N +ATOM 330 CZ ARG A 46 -11.972 64.799 62.668 1.00 16.64 C +ATOM 331 NH1 ARG A 46 -12.637 65.346 63.713 1.00 18.25 N +ATOM 332 NH2 ARG A 46 -11.259 65.545 61.882 1.00 18.21 N +ATOM 333 N LEU A 47 -13.010 57.157 64.776 1.00 11.60 N +ATOM 334 CA LEU A 47 -13.455 56.298 65.862 1.00 12.90 C +ATOM 335 C LEU A 47 -12.777 56.860 67.147 1.00 12.73 C +ATOM 336 O LEU A 47 -11.597 57.205 67.152 1.00 13.98 O +ATOM 337 CB LEU A 47 -12.966 54.868 65.696 1.00 15.08 C +ATOM 338 CG LEU A 47 -13.488 54.083 64.490 1.00 18.73 C +ATOM 339 CD1 LEU A 47 -12.726 52.757 64.415 1.00 18.68 C +ATOM 340 CD2 LEU A 47 -14.966 53.903 64.377 1.00 19.78 C +ATOM 341 N ASN A 48 -13.621 56.998 68.174 1.00 15.07 N +ATOM 342 CA ASN A 48 -13.158 57.504 69.414 1.00 14.52 C +ATOM 343 C ASN A 48 -13.797 56.791 70.596 1.00 13.52 C +ATOM 344 O ASN A 48 -14.806 56.153 70.480 1.00 14.42 O +ATOM 345 CB ASN A 48 -13.218 59.050 69.510 1.00 14.19 C +ATOM 346 CG ASN A 48 -14.596 59.608 69.506 1.00 14.80 C +ATOM 347 OD1 ASN A 48 -15.516 59.090 70.155 1.00 17.62 O +ATOM 348 ND2 ASN A 48 -14.776 60.724 68.785 1.00 17.04 N +ATOM 349 N PHE A 49 -13.030 56.798 71.678 1.00 14.24 N +ATOM 350 CA PHE A 49 -13.296 56.074 72.926 1.00 14.72 C +ATOM 351 C PHE A 49 -12.986 56.972 74.090 1.00 14.85 C +ATOM 352 O PHE A 49 -11.891 57.467 74.183 1.00 13.71 O +ATOM 353 CB PHE A 49 -12.391 54.794 73.003 1.00 17.07 C +ATOM 354 CG PHE A 49 -12.613 53.832 71.893 1.00 15.36 C +ATOM 355 CD1 PHE A 49 -12.020 54.071 70.635 1.00 16.85 C +ATOM 356 CD2 PHE A 49 -13.447 52.727 72.052 1.00 18.73 C +ATOM 357 CE1 PHE A 49 -12.330 53.228 69.528 1.00 18.19 C +ATOM 358 CE2 PHE A 49 -13.675 51.849 70.961 1.00 19.30 C +ATOM 359 CZ PHE A 49 -13.129 52.135 69.736 1.00 18.15 C +ATOM 360 N LEU A 50 -14.043 57.286 74.863 1.00 14.88 N +ATOM 361 CA LEU A 50 -13.958 58.237 75.972 1.00 15.60 C +ATOM 362 C LEU A 50 -14.455 57.478 77.239 1.00 15.58 C +ATOM 363 O LEU A 50 -15.611 57.056 77.346 1.00 17.73 O +ATOM 364 CB LEU A 50 -14.864 59.475 75.735 1.00 18.02 C +ATOM 365 CG LEU A 50 -14.889 60.473 76.919 1.00 20.00 C +ATOM 366 CD1 LEU A 50 -13.542 61.063 77.192 1.00 19.33 C +ATOM 367 CD2 LEU A 50 -15.973 61.517 76.637 1.00 21.07 C +ATOM 368 N GLY A 51 -13.521 57.326 78.124 1.00 16.20 N +ATOM 369 CA GLY A 51 -13.836 56.769 79.441 1.00 16.60 C +ATOM 370 C GLY A 51 -13.760 57.805 80.557 1.00 17.28 C +ATOM 371 O GLY A 51 -12.925 58.689 80.556 1.00 17.36 O +ATOM 372 N LYS A 52 -14.765 57.740 81.420 1.00 19.65 N +ATOM 373 CA LYS A 52 -14.823 58.689 82.555 1.00 22.08 C +ATOM 374 C LYS A 52 -15.169 57.877 83.805 1.00 24.13 C +ATOM 375 O LYS A 52 -16.151 57.047 83.748 1.00 22.96 O +ATOM 376 CB LYS A 52 -15.910 59.737 82.307 1.00 26.48 C +ATOM 377 CG LYS A 52 -15.638 60.920 81.417 1.00 38.31 C +ATOM 378 CD LYS A 52 -16.681 62.071 81.634 1.00 46.03 C +ATOM 379 CE LYS A 52 -16.950 62.458 83.100 1.00 51.77 C +ATOM 380 NZ LYS A 52 -17.340 63.905 83.358 1.00 57.10 N +ATOM 381 N ALA A 53 -14.413 58.087 84.870 1.00 23.59 N +ATOM 382 CA ALA A 53 -14.621 57.396 86.150 1.00 22.65 C +ATOM 383 C ALA A 53 -14.727 58.481 87.274 1.00 23.42 C +ATOM 384 O ALA A 53 -13.758 59.238 87.512 1.00 22.28 O +ATOM 385 CB ALA A 53 -13.465 56.530 86.444 1.00 23.66 C +ATOM 386 N GLU A 54 -15.924 58.538 87.835 1.00 27.34 N +ATOM 387 CA GLU A 54 -16.213 59.485 88.922 1.00 27.20 C +ATOM 388 C GLU A 54 -15.493 58.922 90.078 1.00 24.58 C +ATOM 389 O GLU A 54 -15.670 57.758 90.451 1.00 28.05 O +ATOM 390 CB GLU A 54 -17.712 59.599 89.212 1.00 36.24 C +ATOM 391 CG GLU A 54 -18.421 60.578 88.288 1.00 46.07 C +ATOM 392 CD GLU A 54 -19.728 61.165 88.876 1.00 62.21 C +ATOM 393 OE1 GLU A 54 -19.724 61.694 90.052 1.00 57.57 O +ATOM 394 OE2 GLU A 54 -20.753 61.110 88.130 1.00 57.69 O +ATOM 395 N ILE A 55 -14.678 59.757 90.689 1.00 21.30 N +ATOM 396 CA ILE A 55 -13.896 59.365 91.852 1.00 22.95 C +ATOM 397 C ILE A 55 -14.682 59.815 93.135 1.00 25.94 C +ATOM 398 O ILE A 55 -14.863 59.034 94.077 1.00 26.86 O +ATOM 399 CB ILE A 55 -12.524 59.945 91.837 1.00 22.91 C +ATOM 400 CG1 ILE A 55 -11.696 59.454 90.595 1.00 25.49 C +ATOM 401 CG2 ILE A 55 -11.735 59.604 93.120 1.00 27.08 C +ATOM 402 CD1 ILE A 55 -10.589 60.352 90.186 1.00 25.70 C +ATOM 403 N ASN A 56 -15.125 61.052 93.108 1.00 24.93 N +ATOM 404 CA ASN A 56 -16.031 61.572 94.116 1.00 23.75 C +ATOM 405 C ASN A 56 -16.808 62.674 93.457 1.00 25.20 C +ATOM 406 O ASN A 56 -16.565 62.975 92.255 1.00 24.93 O +ATOM 407 CB ASN A 56 -15.220 61.957 95.370 1.00 23.83 C +ATOM 408 CG ASN A 56 -14.168 62.968 95.107 1.00 21.50 C +ATOM 409 OD1 ASN A 56 -14.467 63.983 94.501 1.00 23.60 O +ATOM 410 ND2 ASN A 56 -12.909 62.686 95.526 1.00 23.96 N +ATOM 411 N ASP A 57 -17.680 63.413 94.167 1.00 24.88 N +ATOM 412 CA ASP A 57 -18.367 64.477 93.499 1.00 26.58 C +ATOM 413 C ASP A 57 -17.545 65.660 93.142 1.00 28.64 C +ATOM 414 O ASP A 57 -18.089 66.600 92.560 1.00 38.81 O +ATOM 415 CB ASP A 57 -19.684 64.920 94.280 1.00 31.32 C +ATOM 416 CG ASP A 57 -19.437 65.754 95.588 1.00 42.45 C +ATOM 417 OD1 ASP A 57 -18.303 66.285 95.915 1.00 38.94 O +ATOM 418 OD2 ASP A 57 -20.481 65.901 96.334 1.00 42.75 O +ATOM 419 N SER A 58 -16.264 65.684 93.448 1.00 23.95 N +ATOM 420 CA SER A 58 -15.402 66.815 93.118 1.00 27.51 C +ATOM 421 C SER A 58 -14.371 66.405 92.072 1.00 25.36 C +ATOM 422 O SER A 58 -13.530 67.281 91.717 1.00 28.18 O +ATOM 423 CB SER A 58 -14.592 67.289 94.326 1.00 30.27 C +ATOM 424 OG SER A 58 -15.435 67.739 95.411 1.00 31.72 O +ATOM 425 N LEU A 59 -14.325 65.099 91.726 1.00 20.98 N +ATOM 426 CA LEU A 59 -13.113 64.637 91.028 1.00 21.16 C +ATOM 427 C LEU A 59 -13.444 63.443 90.129 1.00 21.63 C +ATOM 428 O LEU A 59 -14.185 62.541 90.477 1.00 19.60 O +ATOM 429 CB LEU A 59 -12.055 64.284 91.995 1.00 22.27 C +ATOM 430 CG LEU A 59 -10.649 64.178 91.462 1.00 26.27 C +ATOM 431 CD1 LEU A 59 -9.999 65.541 91.240 1.00 30.07 C +ATOM 432 CD2 LEU A 59 -9.849 63.370 92.453 1.00 26.22 C +ATOM 433 N TYR A 60 -12.872 63.453 88.910 1.00 20.59 N +ATOM 434 CA TYR A 60 -13.118 62.303 87.978 1.00 19.62 C +ATOM 435 C TYR A 60 -11.766 62.142 87.181 1.00 16.51 C +ATOM 436 O TYR A 60 -10.918 63.018 87.053 1.00 17.75 O +ATOM 437 CB TYR A 60 -14.293 62.527 87.019 1.00 22.83 C +ATOM 438 CG TYR A 60 -14.132 63.730 86.131 1.00 23.40 C +ATOM 439 CD1 TYR A 60 -13.407 63.641 84.922 1.00 23.52 C +ATOM 440 CD2 TYR A 60 -14.598 64.976 86.484 1.00 24.14 C +ATOM 441 CE1 TYR A 60 -13.226 64.726 84.108 1.00 23.74 C +ATOM 442 CE2 TYR A 60 -14.397 66.074 85.694 1.00 25.79 C +ATOM 443 CZ TYR A 60 -13.712 65.947 84.486 1.00 26.36 C +ATOM 444 OH TYR A 60 -13.496 67.044 83.647 1.00 25.74 O +ATOM 445 N GLY A 61 -11.583 60.899 86.698 1.00 20.21 N +ATOM 446 CA GLY A 61 -10.488 60.602 85.760 1.00 19.78 C +ATOM 447 C GLY A 61 -11.096 60.350 84.390 1.00 17.98 C +ATOM 448 O GLY A 61 -12.263 60.014 84.233 1.00 17.98 O +ATOM 449 N VAL A 62 -10.288 60.699 83.388 1.00 18.16 N +ATOM 450 CA VAL A 62 -10.691 60.570 82.000 1.00 18.99 C +ATOM 451 C VAL A 62 -9.553 59.937 81.156 1.00 16.20 C +ATOM 452 O VAL A 62 -8.381 60.138 81.366 1.00 15.03 O +ATOM 453 CB VAL A 62 -11.086 61.966 81.444 1.00 21.13 C +ATOM 454 CG1 VAL A 62 -9.939 62.904 81.476 1.00 20.79 C +ATOM 455 CG2 VAL A 62 -11.663 61.888 80.085 1.00 27.11 C +ATOM 456 N GLY A 63 -10.010 59.224 80.117 1.00 15.98 N +ATOM 457 CA GLY A 63 -9.079 58.672 79.099 1.00 15.23 C +ATOM 458 C GLY A 63 -9.726 58.859 77.736 1.00 13.05 C +ATOM 459 O GLY A 63 -10.905 58.580 77.613 1.00 16.94 O +ATOM 460 N PHE A 64 -8.946 59.224 76.708 1.00 13.43 N +ATOM 461 CA PHE A 64 -9.508 59.449 75.417 1.00 14.20 C +ATOM 462 C PHE A 64 -8.530 59.030 74.324 1.00 13.89 C +ATOM 463 O PHE A 64 -7.334 59.403 74.320 1.00 15.69 O +ATOM 464 CB PHE A 64 -9.851 60.953 75.203 1.00 13.61 C +ATOM 465 CG PHE A 64 -10.664 61.236 73.972 1.00 13.30 C +ATOM 466 CD1 PHE A 64 -11.899 60.731 73.778 1.00 15.63 C +ATOM 467 CD2 PHE A 64 -10.028 61.938 72.939 1.00 15.56 C +ATOM 468 CE1 PHE A 64 -12.634 61.055 72.631 1.00 13.81 C +ATOM 469 CE2 PHE A 64 -10.711 62.295 71.800 1.00 14.31 C +ATOM 470 CZ PHE A 64 -11.987 61.825 71.626 1.00 14.66 C +ATOM 471 N TYR A 65 -9.152 58.386 73.307 1.00 13.41 N +ATOM 472 CA TYR A 65 -8.418 58.112 72.032 1.00 13.39 C +ATOM 473 C TYR A 65 -9.344 58.554 70.896 1.00 11.72 C +ATOM 474 O TYR A 65 -10.541 58.243 70.953 1.00 12.27 O +ATOM 475 CB TYR A 65 -8.184 56.600 71.897 1.00 13.78 C +ATOM 476 CG TYR A 65 -7.636 56.228 70.474 1.00 12.46 C +ATOM 477 CD1 TYR A 65 -6.362 56.596 70.106 1.00 13.37 C +ATOM 478 CD2 TYR A 65 -8.484 55.690 69.566 1.00 13.41 C +ATOM 479 CE1 TYR A 65 -5.875 56.370 68.774 1.00 12.94 C +ATOM 480 CE2 TYR A 65 -8.021 55.450 68.264 1.00 13.59 C +ATOM 481 CZ TYR A 65 -6.762 55.830 67.927 1.00 13.12 C +ATOM 482 OH TYR A 65 -6.313 55.682 66.613 1.00 13.85 O +ATOM 483 N GLU A 66 -8.722 59.084 69.832 1.00 12.20 N +ATOM 484 CA GLU A 66 -9.434 59.243 68.564 1.00 12.71 C +ATOM 485 C GLU A 66 -8.452 58.952 67.443 1.00 12.36 C +ATOM 486 O GLU A 66 -7.393 59.538 67.382 1.00 13.67 O +ATOM 487 CB GLU A 66 -9.952 60.665 68.427 1.00 13.73 C +ATOM 488 CG GLU A 66 -10.653 60.887 67.073 1.00 13.78 C +ATOM 489 CD GLU A 66 -11.395 62.224 66.978 1.00 15.27 C +ATOM 490 OE1 GLU A 66 -10.791 63.185 66.521 1.00 17.15 O +ATOM 491 OE2 GLU A 66 -12.515 62.294 67.494 1.00 18.31 O +ATOM 492 N GLY A 67 -8.968 58.130 66.519 1.00 13.40 N +ATOM 493 CA GLY A 67 -8.277 57.871 65.259 1.00 13.44 C +ATOM 494 C GLY A 67 -9.071 58.309 64.054 1.00 12.71 C +ATOM 495 O GLY A 67 -10.303 58.299 64.090 1.00 13.39 O +ATOM 496 N GLU A 68 -8.367 58.681 62.997 1.00 13.20 N +ATOM 497 CA GLU A 68 -9.040 59.038 61.718 1.00 11.48 C +ATOM 498 C GLU A 68 -8.454 58.050 60.665 1.00 12.72 C +ATOM 499 O GLU A 68 -7.226 57.852 60.663 1.00 13.27 O +ATOM 500 CB GLU A 68 -8.757 60.481 61.369 1.00 12.36 C +ATOM 501 CG GLU A 68 -9.450 60.899 60.092 1.00 14.12 C +ATOM 502 CD GLU A 68 -9.307 62.393 59.875 1.00 16.13 C +ATOM 503 OE1 GLU A 68 -8.364 62.844 59.181 1.00 18.82 O +ATOM 504 OE2 GLU A 68 -10.135 63.142 60.456 1.00 16.95 O +ATOM 505 N PHE A 69 -9.336 57.573 59.834 1.00 12.54 N +ATOM 506 CA PHE A 69 -9.069 56.503 58.859 1.00 12.97 C +ATOM 507 C PHE A 69 -9.584 56.970 57.508 1.00 13.49 C +ATOM 508 O PHE A 69 -10.704 57.491 57.395 1.00 14.40 O +ATOM 509 CB PHE A 69 -9.816 55.285 59.297 1.00 13.05 C +ATOM 510 CG PHE A 69 -9.492 54.821 60.690 1.00 14.05 C +ATOM 511 CD1 PHE A 69 -10.105 55.368 61.801 1.00 14.19 C +ATOM 512 CD2 PHE A 69 -8.674 53.738 60.890 1.00 14.39 C +ATOM 513 CE1 PHE A 69 -9.794 54.936 63.103 1.00 15.56 C +ATOM 514 CE2 PHE A 69 -8.421 53.272 62.113 1.00 15.44 C +ATOM 515 CZ PHE A 69 -8.962 53.871 63.278 1.00 15.30 C +ATOM 516 N THR A 70 -8.751 56.809 56.468 1.00 14.02 N +ATOM 517 CA THR A 70 -9.134 57.173 55.121 1.00 14.16 C +ATOM 518 C THR A 70 -8.668 56.134 54.118 1.00 13.58 C +ATOM 519 O THR A 70 -7.890 55.235 54.454 1.00 14.15 O +ATOM 520 CB THR A 70 -8.511 58.563 54.739 1.00 14.80 C +ATOM 521 OG1 THR A 70 -7.099 58.430 54.587 1.00 17.42 O +ATOM 522 CG2 THR A 70 -8.926 59.636 55.772 1.00 14.82 C +ATOM 523 N THR A 71 -9.126 56.316 52.857 1.00 13.72 N +ATOM 524 CA THR A 71 -8.713 55.451 51.735 1.00 12.65 C +ATOM 525 C THR A 71 -8.121 56.396 50.630 1.00 12.80 C +ATOM 526 O THR A 71 -8.479 57.601 50.513 1.00 13.61 O +ATOM 527 CB THR A 71 -9.819 54.541 51.184 1.00 12.43 C +ATOM 528 OG1 THR A 71 -10.770 55.402 50.552 1.00 13.44 O +ATOM 529 CG2 THR A 71 -10.430 53.742 52.276 1.00 12.25 C +ATOM 530 N ASN A 72 -7.291 55.780 49.810 1.00 13.44 N +ATOM 531 CA ASN A 72 -6.748 56.433 48.640 1.00 13.41 C +ATOM 532 C ASN A 72 -6.473 55.392 47.553 1.00 14.64 C +ATOM 533 O ASN A 72 -5.355 55.107 47.175 1.00 15.90 O +ATOM 534 CB ASN A 72 -5.473 57.254 48.927 1.00 14.39 C +ATOM 535 CG ASN A 72 -5.042 58.076 47.740 1.00 16.27 C +ATOM 536 OD1 ASN A 72 -5.892 58.626 47.019 1.00 19.62 O +ATOM 537 ND2 ASN A 72 -3.725 58.181 47.569 1.00 21.38 N +ATOM 538 N ASP A 73 -7.572 54.830 47.049 1.00 14.42 N +ATOM 539 CA ASP A 73 -7.501 53.701 46.114 1.00 12.22 C +ATOM 540 C ASP A 73 -6.904 54.037 44.759 1.00 13.66 C +ATOM 541 O ASP A 73 -6.245 53.154 44.145 1.00 14.24 O +ATOM 542 CB ASP A 73 -8.885 53.086 45.871 1.00 12.30 C +ATOM 543 CG ASP A 73 -9.370 52.221 46.992 1.00 13.23 C +ATOM 544 OD1 ASP A 73 -8.532 51.491 47.664 1.00 13.33 O +ATOM 545 OD2 ASP A 73 -10.582 52.091 47.135 1.00 13.90 O +ATOM 546 N GLN A 74 -7.177 55.256 44.267 1.00 14.56 N +ATOM 547 CA GLN A 74 -6.675 55.672 42.945 1.00 15.73 C +ATOM 548 C GLN A 74 -7.100 54.669 41.897 1.00 16.11 C +ATOM 549 O GLN A 74 -6.368 54.350 40.962 1.00 18.12 O +ATOM 550 CB GLN A 74 -5.202 55.940 43.026 1.00 16.01 C +ATOM 551 CG GLN A 74 -4.872 57.138 43.917 1.00 17.94 C +ATOM 552 CD GLN A 74 -5.469 58.435 43.392 1.00 19.00 C +ATOM 553 OE1 GLN A 74 -5.330 58.723 42.135 1.00 19.96 O +ATOM 554 NE2 GLN A 74 -5.969 59.289 44.302 1.00 19.09 N +ATOM 555 N GLY A 75 -8.282 54.112 42.024 1.00 14.90 N +ATOM 556 CA GLY A 75 -8.790 53.221 41.032 1.00 15.88 C +ATOM 557 C GLY A 75 -8.579 51.721 41.086 1.00 16.89 C +ATOM 558 O GLY A 75 -9.062 50.962 40.216 1.00 16.64 O +ATOM 559 N LYS A 76 -7.840 51.290 42.094 1.00 14.72 N +ATOM 560 CA LYS A 76 -7.652 49.887 42.397 1.00 14.91 C +ATOM 561 C LYS A 76 -8.250 49.571 43.755 1.00 14.24 C +ATOM 562 O LYS A 76 -8.370 50.462 44.585 1.00 15.40 O +ATOM 563 CB LYS A 76 -6.146 49.522 42.425 1.00 18.58 C +ATOM 564 CG LYS A 76 -5.529 49.723 41.054 1.00 26.19 C +ATOM 565 CD LYS A 76 -4.044 49.348 41.069 1.00 36.98 C +ATOM 566 CE LYS A 76 -3.433 49.590 39.679 1.00 46.51 C +ATOM 567 NZ LYS A 76 -2.008 49.172 39.653 1.00 55.34 N +ATOM 568 N ASN A 77 -8.667 48.347 43.984 1.00 13.73 N +ATOM 569 CA ASN A 77 -9.055 47.943 45.343 1.00 15.27 C +ATOM 570 C ASN A 77 -7.795 47.716 46.101 1.00 15.83 C +ATOM 571 O ASN A 77 -7.247 46.598 46.150 1.00 16.79 O +ATOM 572 CB ASN A 77 -9.936 46.689 45.313 1.00 13.71 C +ATOM 573 CG ASN A 77 -10.344 46.233 46.722 1.00 14.16 C +ATOM 574 OD1 ASN A 77 -10.049 46.944 47.686 1.00 14.64 O +ATOM 575 ND2 ASN A 77 -10.999 45.058 46.807 1.00 15.33 N +ATOM 576 N ALA A 78 -7.286 48.799 46.676 1.00 14.04 N +ATOM 577 CA ALA A 78 -5.986 48.830 47.299 1.00 15.16 C +ATOM 578 C ALA A 78 -6.112 48.492 48.773 1.00 15.90 C +ATOM 579 O ALA A 78 -7.191 48.474 49.346 1.00 15.53 O +ATOM 580 CB ALA A 78 -5.357 50.210 47.176 1.00 16.57 C +ATOM 581 N SER A 79 -4.951 48.158 49.339 1.00 14.18 N +ATOM 582 CA SER A 79 -4.888 48.064 50.779 1.00 14.64 C +ATOM 583 C SER A 79 -4.567 49.482 51.285 1.00 15.82 C +ATOM 584 O SER A 79 -3.687 50.142 50.731 1.00 19.71 O +ATOM 585 CB SER A 79 -3.747 47.105 51.205 1.00 19.07 C +ATOM 586 OG SER A 79 -3.846 46.709 52.599 1.00 23.43 O +ATOM 587 N ASN A 80 -5.337 49.953 52.259 1.00 12.60 N +ATOM 588 CA ASN A 80 -5.242 51.357 52.710 1.00 13.70 C +ATOM 589 C ASN A 80 -4.873 51.408 54.171 1.00 12.38 C +ATOM 590 O ASN A 80 -5.712 51.214 55.019 1.00 12.80 O +ATOM 591 CB ASN A 80 -6.559 52.039 52.466 1.00 13.11 C +ATOM 592 CG ASN A 80 -6.776 52.362 50.960 1.00 13.36 C +ATOM 593 OD1 ASN A 80 -6.167 53.333 50.447 1.00 15.48 O +ATOM 594 ND2 ASN A 80 -7.636 51.586 50.312 1.00 13.63 N +ATOM 595 N ASN A 81 -3.587 51.768 54.447 1.00 13.72 N +ATOM 596 CA ASN A 81 -3.041 51.811 55.799 1.00 13.63 C +ATOM 597 C ASN A 81 -2.922 53.315 56.079 1.00 17.95 C +ATOM 598 O ASN A 81 -1.792 53.922 55.825 1.00 23.12 O +ATOM 599 CB ASN A 81 -1.664 51.174 55.904 1.00 16.63 C +ATOM 600 CG ASN A 81 -1.186 50.906 57.364 1.00 24.52 C +ATOM 601 OD1 ASN A 81 -1.491 51.669 58.270 1.00 26.37 O +ATOM 602 ND2 ASN A 81 -0.366 49.789 57.563 1.00 20.17 N +ATOM 603 N SER A 82 -4.062 53.993 56.229 1.00 16.47 N +ATOM 604 CA SER A 82 -4.075 55.428 56.580 1.00 14.79 C +ATOM 605 C SER A 82 -4.730 55.585 57.927 1.00 15.50 C +ATOM 606 O SER A 82 -5.895 55.346 58.088 1.00 14.73 O +ATOM 607 CB SER A 82 -4.891 56.253 55.553 1.00 17.69 C +ATOM 608 OG SER A 82 -4.951 57.625 55.981 1.00 22.30 O +ATOM 609 N LEU A 83 -3.886 55.919 58.874 1.00 14.34 N +ATOM 610 CA LEU A 83 -4.339 56.153 60.229 1.00 14.00 C +ATOM 611 C LEU A 83 -3.689 57.415 60.753 1.00 14.10 C +ATOM 612 O LEU A 83 -2.497 57.638 60.588 1.00 14.13 O +ATOM 613 CB LEU A 83 -3.871 54.954 61.115 1.00 14.58 C +ATOM 614 CG LEU A 83 -3.963 55.136 62.649 1.00 15.14 C +ATOM 615 CD1 LEU A 83 -5.420 55.203 63.034 1.00 16.32 C +ATOM 616 CD2 LEU A 83 -3.243 53.984 63.360 1.00 16.46 C +ATOM 617 N ASP A 84 -4.488 58.241 61.466 1.00 13.58 N +ATOM 618 CA ASP A 84 -3.935 59.342 62.241 1.00 13.58 C +ATOM 619 C ASP A 84 -4.507 59.239 63.669 1.00 12.04 C +ATOM 620 O ASP A 84 -5.718 59.339 63.901 1.00 13.12 O +ATOM 621 CB ASP A 84 -4.315 60.659 61.599 1.00 14.19 C +ATOM 622 CG ASP A 84 -3.736 61.858 62.312 1.00 16.36 C +ATOM 623 OD1 ASP A 84 -2.831 61.739 63.153 1.00 14.85 O +ATOM 624 OD2 ASP A 84 -4.168 63.038 62.025 1.00 19.18 O +ATOM 625 N ASN A 85 -3.611 59.044 64.628 1.00 12.81 N +ATOM 626 CA ASN A 85 -4.009 59.050 66.049 1.00 13.98 C +ATOM 627 C ASN A 85 -4.123 60.497 66.524 1.00 13.32 C +ATOM 628 O ASN A 85 -3.114 61.080 66.879 1.00 13.71 O +ATOM 629 CB ASN A 85 -2.918 58.344 66.825 1.00 14.98 C +ATOM 630 CG ASN A 85 -2.770 56.875 66.396 1.00 13.82 C +ATOM 631 OD1 ASN A 85 -3.747 56.218 66.093 1.00 13.29 O +ATOM 632 ND2 ASN A 85 -1.551 56.358 66.516 1.00 14.59 N +ATOM 633 N ARG A 86 -5.307 61.024 66.366 1.00 13.30 N +ATOM 634 CA ARG A 86 -5.552 62.494 66.565 1.00 14.50 C +ATOM 635 C ARG A 86 -5.431 62.917 68.015 1.00 12.64 C +ATOM 636 O ARG A 86 -4.906 63.996 68.258 1.00 13.47 O +ATOM 637 CB ARG A 86 -6.911 62.892 66.049 1.00 13.28 C +ATOM 638 CG ARG A 86 -7.010 62.846 64.514 1.00 13.51 C +ATOM 639 CD ARG A 86 -8.416 63.079 63.984 1.00 15.96 C +ATOM 640 NE ARG A 86 -9.048 64.314 64.484 1.00 16.37 N +ATOM 641 CZ ARG A 86 -8.740 65.531 64.089 1.00 16.92 C +ATOM 642 NH1 ARG A 86 -7.981 65.697 63.019 1.00 18.50 N +ATOM 643 NH2 ARG A 86 -9.349 66.611 64.647 1.00 19.70 N +ATOM 644 N TYR A 87 -5.859 62.032 68.895 1.00 13.91 N +ATOM 645 CA TYR A 87 -5.869 62.268 70.361 1.00 14.43 C +ATOM 646 C TYR A 87 -5.403 61.045 71.062 1.00 15.44 C +ATOM 647 O TYR A 87 -5.913 59.938 70.753 1.00 13.86 O +ATOM 648 CB TYR A 87 -7.202 62.709 70.921 1.00 13.99 C +ATOM 649 CG TYR A 87 -7.765 64.018 70.413 1.00 13.71 C +ATOM 650 CD1 TYR A 87 -8.431 64.118 69.234 1.00 15.52 C +ATOM 651 CD2 TYR A 87 -7.718 65.134 71.241 1.00 16.82 C +ATOM 652 CE1 TYR A 87 -9.000 65.269 68.835 1.00 17.16 C +ATOM 653 CE2 TYR A 87 -8.380 66.309 70.871 1.00 17.16 C +ATOM 654 CZ TYR A 87 -8.909 66.415 69.656 1.00 16.67 C +ATOM 655 OH TYR A 87 -9.537 67.570 69.198 1.00 20.46 O +ATOM 656 N THR A 88 -4.498 61.226 72.057 1.00 13.07 N +ATOM 657 CA THR A 88 -4.163 60.104 72.977 1.00 14.17 C +ATOM 658 C THR A 88 -3.801 60.768 74.339 1.00 15.00 C +ATOM 659 O THR A 88 -2.699 61.282 74.453 1.00 16.39 O +ATOM 660 CB THR A 88 -2.872 59.329 72.533 1.00 15.43 C +ATOM 661 OG1 THR A 88 -1.733 60.184 72.327 1.00 18.47 O +ATOM 662 CG2 THR A 88 -3.176 58.607 71.225 1.00 15.01 C +ATOM 663 N TYR A 89 -4.766 60.796 75.250 1.00 15.75 N +ATOM 664 CA TYR A 89 -4.502 61.469 76.531 1.00 14.20 C +ATOM 665 C TYR A 89 -5.263 60.825 77.662 1.00 13.54 C +ATOM 666 O TYR A 89 -6.238 60.122 77.530 1.00 14.61 O +ATOM 667 CB TYR A 89 -4.870 62.971 76.390 1.00 15.81 C +ATOM 668 CG TYR A 89 -6.314 63.332 76.325 1.00 15.64 C +ATOM 669 CD1 TYR A 89 -7.206 63.284 77.434 1.00 15.40 C +ATOM 670 CD2 TYR A 89 -6.878 63.755 75.129 1.00 14.51 C +ATOM 671 CE1 TYR A 89 -8.511 63.724 77.335 1.00 15.78 C +ATOM 672 CE2 TYR A 89 -8.176 64.199 75.018 1.00 14.81 C +ATOM 673 CZ TYR A 89 -9.037 64.169 76.093 1.00 14.35 C +ATOM 674 OH TYR A 89 -10.361 64.576 76.018 1.00 17.81 O +ATOM 675 N ALA A 90 -4.748 61.132 78.873 1.00 14.46 N +ATOM 676 CA ALA A 90 -5.498 60.839 80.077 1.00 14.85 C +ATOM 677 C ALA A 90 -5.453 62.138 80.925 1.00 15.59 C +ATOM 678 O ALA A 90 -4.610 62.959 80.723 1.00 15.47 O +ATOM 679 CB ALA A 90 -4.890 59.699 80.822 1.00 15.51 C +ATOM 680 N GLY A 91 -6.365 62.249 81.866 1.00 16.64 N +ATOM 681 CA GLY A 91 -6.529 63.525 82.587 1.00 18.71 C +ATOM 682 C GLY A 91 -7.315 63.328 83.879 1.00 20.23 C +ATOM 683 O GLY A 91 -7.866 62.263 84.167 1.00 17.38 O +ATOM 684 N ILE A 92 -7.341 64.418 84.648 1.00 18.27 N +ATOM 685 CA ILE A 92 -8.136 64.393 85.848 1.00 20.52 C +ATOM 686 C ILE A 92 -8.899 65.726 85.852 1.00 18.89 C +ATOM 687 O ILE A 92 -8.310 66.734 85.479 1.00 20.48 O +ATOM 688 CB ILE A 92 -7.155 64.241 87.054 1.00 24.25 C +ATOM 689 CG1 ILE A 92 -7.921 64.134 88.360 1.00 27.22 C +ATOM 690 CG2 ILE A 92 -6.017 65.298 87.053 1.00 28.96 C +ATOM 691 CD1 ILE A 92 -7.057 63.523 89.463 1.00 33.89 C +ATOM 692 N GLY A 93 -10.137 65.682 86.249 1.00 21.72 N +ATOM 693 CA GLY A 93 -10.909 66.900 86.339 1.00 21.19 C +ATOM 694 C GLY A 93 -11.727 66.977 87.601 1.00 24.84 C +ATOM 695 O GLY A 93 -11.862 66.020 88.351 1.00 22.77 O +ATOM 696 N GLY A 94 -12.311 68.143 87.753 1.00 24.52 N +ATOM 697 CA GLY A 94 -13.256 68.358 88.865 1.00 27.51 C +ATOM 698 C GLY A 94 -13.841 69.750 88.787 1.00 33.43 C +ATOM 699 O GLY A 94 -13.765 70.415 87.786 1.00 29.60 O +ATOM 700 N THR A 95 -14.387 70.231 89.883 1.00 34.04 N +ATOM 701 CA THR A 95 -15.011 71.543 89.837 1.00 37.80 C +ATOM 702 C THR A 95 -14.104 72.683 89.270 1.00 37.67 C +ATOM 703 O THR A 95 -14.635 73.594 88.612 1.00 45.53 O +ATOM 704 CB THR A 95 -15.570 71.866 91.230 1.00 40.44 C +ATOM 705 OG1 THR A 95 -16.480 70.793 91.584 1.00 43.30 O +ATOM 706 CG2 THR A 95 -16.269 73.180 91.202 1.00 41.39 C +ATOM 707 N TYR A 96 -12.774 72.573 89.455 1.00 33.12 N +ATOM 708 CA TYR A 96 -11.792 73.599 89.001 1.00 34.35 C +ATOM 709 C TYR A 96 -11.222 73.415 87.561 1.00 27.72 C +ATOM 710 O TYR A 96 -10.376 74.229 87.162 1.00 29.94 O +ATOM 711 CB TYR A 96 -10.663 73.746 89.998 1.00 35.89 C +ATOM 712 CG TYR A 96 -11.252 74.366 91.263 1.00 49.36 C +ATOM 713 CD1 TYR A 96 -11.518 75.749 91.312 1.00 59.75 C +ATOM 714 CD2 TYR A 96 -11.677 73.572 92.328 1.00 53.97 C +ATOM 715 CE1 TYR A 96 -12.126 76.326 92.416 1.00 60.79 C +ATOM 716 CE2 TYR A 96 -12.269 74.143 93.447 1.00 57.06 C +ATOM 717 CZ TYR A 96 -12.490 75.524 93.477 1.00 63.37 C +ATOM 718 OH TYR A 96 -13.073 76.137 94.560 1.00 72.90 O +ATOM 719 N GLY A 97 -11.798 72.434 86.839 1.00 28.52 N +ATOM 720 CA GLY A 97 -11.517 72.185 85.409 1.00 24.32 C +ATOM 721 C GLY A 97 -10.869 70.837 85.239 1.00 23.67 C +ATOM 722 O GLY A 97 -10.929 69.991 86.124 1.00 26.32 O +ATOM 723 N GLU A 98 -10.218 70.664 84.124 1.00 20.65 N +ATOM 724 CA GLU A 98 -9.683 69.330 83.725 1.00 18.60 C +ATOM 725 C GLU A 98 -8.300 69.567 83.181 1.00 18.69 C +ATOM 726 O GLU A 98 -8.087 70.532 82.422 1.00 18.37 O +ATOM 727 CB GLU A 98 -10.565 68.742 82.675 1.00 21.19 C +ATOM 728 CG GLU A 98 -10.083 67.359 82.127 1.00 21.81 C +ATOM 729 CD GLU A 98 -11.073 66.759 81.160 1.00 24.60 C +ATOM 730 OE1 GLU A 98 -12.270 66.625 81.444 1.00 26.28 O +ATOM 731 OE2 GLU A 98 -10.645 66.498 80.004 1.00 23.57 O +ATOM 732 N VAL A 99 -7.356 68.724 83.568 1.00 16.89 N +ATOM 733 CA VAL A 99 -6.018 68.802 83.077 1.00 18.54 C +ATOM 734 C VAL A 99 -5.676 67.421 82.504 1.00 19.21 C +ATOM 735 O VAL A 99 -5.917 66.436 83.138 1.00 18.68 O +ATOM 736 CB VAL A 99 -4.975 69.296 84.089 1.00 22.71 C +ATOM 737 CG1 VAL A 99 -4.853 68.401 85.257 1.00 23.35 C +ATOM 738 CG2 VAL A 99 -3.622 69.590 83.441 1.00 24.94 C +ATOM 739 N THR A 100 -5.018 67.470 81.378 1.00 17.19 N +ATOM 740 CA THR A 100 -4.584 66.217 80.653 1.00 16.92 C +ATOM 741 C THR A 100 -3.151 66.286 80.246 1.00 15.16 C +ATOM 742 O THR A 100 -2.503 67.345 80.175 1.00 15.27 O +ATOM 743 CB THR A 100 -5.457 66.024 79.387 1.00 15.37 C +ATOM 744 OG1 THR A 100 -5.128 67.038 78.402 1.00 17.28 O +ATOM 745 CG2 THR A 100 -6.924 65.994 79.639 1.00 16.52 C +ATOM 746 N TYR A 101 -2.551 65.108 79.949 1.00 15.79 N +ATOM 747 CA TYR A 101 -1.227 65.029 79.337 1.00 14.56 C +ATOM 748 C TYR A 101 -1.361 64.000 78.172 1.00 14.22 C +ATOM 749 O TYR A 101 -2.140 63.042 78.283 1.00 14.10 O +ATOM 750 CB TYR A 101 -0.161 64.538 80.308 1.00 16.04 C +ATOM 751 CG TYR A 101 1.187 64.445 79.691 1.00 15.23 C +ATOM 752 CD1 TYR A 101 2.008 65.562 79.474 1.00 16.83 C +ATOM 753 CD2 TYR A 101 1.729 63.186 79.311 1.00 16.89 C +ATOM 754 CE1 TYR A 101 3.277 65.473 78.857 1.00 15.65 C +ATOM 755 CE2 TYR A 101 2.997 63.097 78.718 1.00 16.73 C +ATOM 756 CZ TYR A 101 3.776 64.215 78.465 1.00 15.66 C +ATOM 757 OH TYR A 101 4.972 64.112 77.894 1.00 17.68 O +ATOM 758 N GLY A 102 -0.668 64.300 77.092 1.00 16.63 N +ATOM 759 CA GLY A 102 -0.748 63.467 75.858 1.00 17.02 C +ATOM 760 C GLY A 102 -1.203 64.347 74.756 1.00 19.53 C +ATOM 761 O GLY A 102 -1.268 65.545 74.932 1.00 27.67 O +ATOM 762 N LYS A 103 -1.447 63.839 73.558 1.00 15.79 N +ATOM 763 CA LYS A 103 -1.894 64.696 72.506 1.00 13.53 C +ATOM 764 C LYS A 103 -3.318 65.098 72.709 1.00 13.40 C +ATOM 765 O LYS A 103 -4.282 64.288 72.743 1.00 13.10 O +ATOM 766 CB LYS A 103 -1.773 63.968 71.121 1.00 15.28 C +ATOM 767 CG LYS A 103 -1.988 64.931 70.003 1.00 15.41 C +ATOM 768 CD LYS A 103 -1.543 64.472 68.622 1.00 15.22 C +ATOM 769 CE LYS A 103 -1.668 65.598 67.627 1.00 16.59 C +ATOM 770 NZ LYS A 103 -0.920 65.416 66.336 1.00 16.98 N +ATOM 771 N ASN A 104 -3.527 66.420 72.832 1.00 14.01 N +ATOM 772 CA ASN A 104 -4.862 67.003 73.074 1.00 14.01 C +ATOM 773 C ASN A 104 -4.790 68.462 72.569 1.00 13.02 C +ATOM 774 O ASN A 104 -3.722 68.953 72.209 1.00 15.30 O +ATOM 775 CB ASN A 104 -5.187 66.971 74.586 1.00 14.40 C +ATOM 776 CG ASN A 104 -6.633 67.220 74.898 1.00 14.61 C +ATOM 777 OD1 ASN A 104 -7.559 67.245 74.033 1.00 15.59 O +ATOM 778 ND2 ASN A 104 -6.926 67.310 76.251 1.00 15.00 N +ATOM 779 N ASP A 105 -5.948 69.111 72.509 1.00 15.07 N +ATOM 780 CA ASP A 105 -6.064 70.507 72.092 1.00 15.64 C +ATOM 781 C ASP A 105 -5.359 71.480 73.028 1.00 16.37 C +ATOM 782 O ASP A 105 -5.500 71.390 74.268 1.00 17.82 O +ATOM 783 CB ASP A 105 -7.491 70.848 71.937 1.00 16.40 C +ATOM 784 CG ASP A 105 -8.179 70.053 70.785 1.00 17.94 C +ATOM 785 OD1 ASP A 105 -7.651 70.000 69.592 1.00 23.49 O +ATOM 786 OD2 ASP A 105 -9.193 69.475 70.988 1.00 25.23 O +ATOM 787 N GLY A 106 -4.679 72.430 72.434 1.00 15.20 N +ATOM 788 CA GLY A 106 -4.230 73.680 73.136 1.00 15.58 C +ATOM 789 C GLY A 106 -5.398 74.653 73.228 1.00 15.71 C +ATOM 790 O GLY A 106 -6.545 74.347 73.009 1.00 16.49 O +ATOM 791 N ALA A 107 -5.084 75.913 73.531 1.00 15.56 N +ATOM 792 CA ALA A 107 -6.125 76.838 73.987 1.00 15.78 C +ATOM 793 C ALA A 107 -6.850 77.591 72.867 1.00 15.77 C +ATOM 794 O ALA A 107 -7.920 78.210 73.096 1.00 17.00 O +ATOM 795 CB ALA A 107 -5.456 77.839 74.874 1.00 16.35 C +ATOM 796 N LEU A 108 -6.318 77.601 71.597 1.00 16.01 N +ATOM 797 CA LEU A 108 -6.896 78.541 70.642 1.00 16.22 C +ATOM 798 C LEU A 108 -8.003 78.012 69.809 1.00 14.63 C +ATOM 799 O LEU A 108 -8.712 78.762 69.164 1.00 15.18 O +ATOM 800 CB LEU A 108 -5.819 79.192 69.808 1.00 16.44 C +ATOM 801 CG LEU A 108 -4.802 80.111 70.492 1.00 19.08 C +ATOM 802 CD1 LEU A 108 -3.932 80.807 69.508 1.00 18.37 C +ATOM 803 CD2 LEU A 108 -5.543 81.103 71.390 1.00 22.17 C +ATOM 804 N GLY A 109 -8.192 76.676 69.745 1.00 14.56 N +ATOM 805 CA GLY A 109 -9.294 76.145 69.032 1.00 14.47 C +ATOM 806 C GLY A 109 -10.687 76.713 69.391 1.00 14.66 C +ATOM 807 O GLY A 109 -11.592 76.881 68.568 1.00 16.68 O +ATOM 808 N VAL A 110 -10.912 76.979 70.668 1.00 13.92 N +ATOM 809 CA VAL A 110 -12.224 77.490 71.062 1.00 14.82 C +ATOM 810 C VAL A 110 -12.344 78.966 70.618 1.00 14.83 C +ATOM 811 O VAL A 110 -13.441 79.436 70.551 1.00 16.51 O +ATOM 812 CB VAL A 110 -12.434 77.381 72.603 1.00 16.52 C +ATOM 813 CG1 VAL A 110 -12.575 75.916 73.023 1.00 17.20 C +ATOM 814 CG2 VAL A 110 -11.313 78.073 73.360 1.00 16.11 C +ATOM 815 N ILE A 111 -11.253 79.613 70.274 1.00 15.41 N +ATOM 816 CA ILE A 111 -11.288 80.964 69.693 1.00 15.79 C +ATOM 817 C ILE A 111 -11.530 80.915 68.212 1.00 15.23 C +ATOM 818 O ILE A 111 -12.407 81.547 67.648 1.00 15.15 O +ATOM 819 CB ILE A 111 -10.065 81.790 70.055 1.00 14.85 C +ATOM 820 CG1 ILE A 111 -9.745 81.727 71.542 1.00 16.73 C +ATOM 821 CG2 ILE A 111 -10.179 83.239 69.569 1.00 16.04 C +ATOM 822 CD1 ILE A 111 -10.881 82.279 72.445 1.00 17.43 C +ATOM 823 N THR A 112 -10.825 79.995 67.524 1.00 15.16 N +ATOM 824 CA THR A 112 -11.128 79.832 66.110 1.00 15.42 C +ATOM 825 C THR A 112 -12.529 79.319 65.849 1.00 14.24 C +ATOM 826 O THR A 112 -13.102 79.547 64.786 1.00 15.02 O +ATOM 827 CB THR A 112 -10.064 78.958 65.371 1.00 15.22 C +ATOM 828 OG1 THR A 112 -10.032 77.598 65.880 1.00 15.00 O +ATOM 829 CG2 THR A 112 -8.742 79.535 65.504 1.00 14.59 C +ATOM 830 N ASP A 113 -13.101 78.601 66.822 1.00 14.84 N +ATOM 831 CA ASP A 113 -14.452 78.156 66.799 1.00 14.26 C +ATOM 832 C ASP A 113 -15.543 79.273 66.692 1.00 14.86 C +ATOM 833 O ASP A 113 -16.694 79.060 66.311 1.00 18.18 O +ATOM 834 CB ASP A 113 -14.863 77.298 68.010 1.00 16.69 C +ATOM 835 CG ASP A 113 -14.384 75.838 67.943 1.00 20.97 C +ATOM 836 OD1 ASP A 113 -13.968 75.415 66.859 1.00 21.23 O +ATOM 837 OD2 ASP A 113 -14.406 75.280 69.079 1.00 22.60 O +ATOM 838 N PHE A 114 -15.122 80.518 66.971 1.00 14.86 N +ATOM 839 CA PHE A 114 -16.067 81.600 66.762 1.00 15.37 C +ATOM 840 C PHE A 114 -16.509 81.693 65.297 1.00 15.75 C +ATOM 841 O PHE A 114 -17.646 82.008 65.046 1.00 16.22 O +ATOM 842 CB PHE A 114 -15.430 82.925 67.230 1.00 15.60 C +ATOM 843 CG PHE A 114 -15.549 83.192 68.681 1.00 15.55 C +ATOM 844 CD1 PHE A 114 -14.960 82.415 69.627 1.00 15.77 C +ATOM 845 CD2 PHE A 114 -16.207 84.352 69.090 1.00 16.87 C +ATOM 846 CE1 PHE A 114 -15.012 82.687 70.936 1.00 17.02 C +ATOM 847 CE2 PHE A 114 -16.321 84.620 70.423 1.00 16.71 C +ATOM 848 CZ PHE A 114 -15.685 83.868 71.337 1.00 19.12 C +ATOM 849 N THR A 115 -15.589 81.498 64.347 1.00 14.79 N +ATOM 850 CA THR A 115 -15.870 81.578 62.940 1.00 14.32 C +ATOM 851 C THR A 115 -15.780 80.266 62.128 1.00 14.97 C +ATOM 852 O THR A 115 -16.218 80.199 60.985 1.00 16.49 O +ATOM 853 CB THR A 115 -14.916 82.575 62.263 1.00 16.69 C +ATOM 854 OG1 THR A 115 -13.576 82.346 62.574 1.00 17.29 O +ATOM 855 CG2 THR A 115 -15.236 84.066 62.747 1.00 16.81 C +ATOM 856 N ASP A 116 -15.324 79.237 62.785 1.00 16.01 N +ATOM 857 CA ASP A 116 -15.249 77.865 62.180 1.00 15.66 C +ATOM 858 C ASP A 116 -16.589 77.185 62.308 1.00 15.98 C +ATOM 859 O ASP A 116 -16.756 76.211 63.079 1.00 17.13 O +ATOM 860 CB ASP A 116 -14.133 77.119 62.924 1.00 15.10 C +ATOM 861 CG ASP A 116 -13.849 75.738 62.265 1.00 17.47 C +ATOM 862 OD1 ASP A 116 -14.375 75.483 61.120 1.00 17.28 O +ATOM 863 OD2 ASP A 116 -13.117 74.962 62.899 1.00 18.95 O +ATOM 864 N ILE A 117 -17.603 77.617 61.516 1.00 14.89 N +ATOM 865 CA ILE A 117 -18.926 77.160 61.599 1.00 15.29 C +ATOM 866 C ILE A 117 -19.454 76.429 60.396 1.00 15.09 C +ATOM 867 O ILE A 117 -20.533 75.970 60.419 1.00 16.37 O +ATOM 868 CB ILE A 117 -19.892 78.383 61.914 1.00 16.91 C +ATOM 869 CG1 ILE A 117 -19.944 79.410 60.767 1.00 20.18 C +ATOM 870 CG2 ILE A 117 -19.403 79.013 63.215 1.00 19.13 C +ATOM 871 CD1 ILE A 117 -21.190 80.380 60.845 1.00 18.65 C +ATOM 872 N MET A 118 -18.639 76.241 59.359 1.00 14.71 N +ATOM 873 CA MET A 118 -19.080 75.600 58.154 1.00 15.09 C +ATOM 874 C MET A 118 -18.841 74.074 58.186 1.00 15.48 C +ATOM 875 O MET A 118 -18.035 73.585 58.987 1.00 15.29 O +ATOM 876 CB MET A 118 -18.428 76.121 56.929 1.00 16.26 C +ATOM 877 CG MET A 118 -18.299 77.658 56.792 1.00 17.48 C +ATOM 878 SD MET A 118 -17.751 78.102 55.134 1.00 17.67 S +ATOM 879 CE MET A 118 -19.303 77.888 54.364 1.00 18.24 C +ATOM 880 N SER A 119 -19.622 73.402 57.398 1.00 16.08 N +ATOM 881 CA SER A 119 -19.475 71.896 57.378 1.00 14.87 C +ATOM 882 C SER A 119 -18.151 71.422 56.805 1.00 15.40 C +ATOM 883 O SER A 119 -17.681 70.356 57.218 1.00 15.81 O +ATOM 884 CB SER A 119 -20.665 71.250 56.696 1.00 16.02 C +ATOM 885 OG SER A 119 -21.818 71.278 57.522 1.00 17.03 O +ATOM 886 N TYR A 120 -17.631 72.143 55.804 1.00 13.76 N +ATOM 887 CA TYR A 120 -16.444 71.724 55.060 1.00 14.52 C +ATOM 888 C TYR A 120 -15.367 72.820 54.844 1.00 14.68 C +ATOM 889 O TYR A 120 -14.195 72.586 54.972 1.00 15.52 O +ATOM 890 CB TYR A 120 -16.880 71.159 53.734 1.00 13.94 C +ATOM 891 CG TYR A 120 -15.817 70.529 52.846 1.00 15.50 C +ATOM 892 CD1 TYR A 120 -15.014 71.282 52.006 1.00 14.95 C +ATOM 893 CD2 TYR A 120 -15.615 69.173 52.863 1.00 16.08 C +ATOM 894 CE1 TYR A 120 -14.025 70.722 51.209 1.00 15.89 C +ATOM 895 CE2 TYR A 120 -14.621 68.591 52.046 1.00 14.82 C +ATOM 896 CZ TYR A 120 -13.827 69.359 51.265 1.00 16.11 C +ATOM 897 OH TYR A 120 -12.880 68.783 50.448 1.00 19.06 O +ATOM 898 N HIS A 121 -15.831 74.035 54.487 1.00 14.64 N +ATOM 899 CA HIS A 121 -14.967 75.147 54.176 1.00 15.21 C +ATOM 900 C HIS A 121 -14.774 76.003 55.411 1.00 15.57 C +ATOM 901 O HIS A 121 -15.057 75.566 56.523 1.00 14.87 O +ATOM 902 CB HIS A 121 -15.540 75.858 52.933 1.00 13.77 C +ATOM 903 CG HIS A 121 -15.274 75.120 51.649 1.00 13.88 C +ATOM 904 ND1 HIS A 121 -16.287 74.729 50.789 1.00 15.25 N +ATOM 905 CD2 HIS A 121 -14.097 74.694 51.115 1.00 16.91 C +ATOM 906 CE1 HIS A 121 -15.711 74.112 49.750 1.00 15.21 C +ATOM 907 NE2 HIS A 121 -14.402 74.079 49.928 1.00 16.45 N +ATOM 908 N GLY A 122 -14.233 77.210 55.253 1.00 16.54 N +ATOM 909 CA GLY A 122 -13.968 78.061 56.379 1.00 16.80 C +ATOM 910 C GLY A 122 -12.733 77.641 57.114 1.00 17.79 C +ATOM 911 O GLY A 122 -12.018 76.636 56.735 1.00 17.47 O +ATOM 912 N ASN A 123 -12.401 78.356 58.212 1.00 15.90 N +ATOM 913 CA ASN A 123 -11.156 78.074 58.989 1.00 15.63 C +ATOM 914 C ASN A 123 -9.910 78.040 58.155 1.00 17.51 C +ATOM 915 O ASN A 123 -9.015 77.255 58.396 1.00 18.68 O +ATOM 916 CB ASN A 123 -11.370 76.810 59.853 1.00 16.68 C +ATOM 917 CG ASN A 123 -10.257 76.550 60.831 1.00 17.57 C +ATOM 918 OD1 ASN A 123 -9.857 77.448 61.632 1.00 20.80 O +ATOM 919 ND2 ASN A 123 -9.670 75.360 60.757 1.00 15.36 N +ATOM 920 N THR A 124 -9.842 78.922 57.126 1.00 16.85 N +ATOM 921 CA THR A 124 -8.665 79.038 56.269 1.00 16.67 C +ATOM 922 C THR A 124 -7.767 80.208 56.509 1.00 17.28 C +ATOM 923 O THR A 124 -6.689 80.278 55.906 1.00 17.62 O +ATOM 924 CB THR A 124 -9.006 79.024 54.757 1.00 19.17 C +ATOM 925 OG1 THR A 124 -9.734 80.232 54.387 1.00 18.85 O +ATOM 926 CG2 THR A 124 -9.810 77.839 54.392 1.00 19.52 C +ATOM 927 N ALA A 125 -8.104 81.089 57.481 1.00 15.50 N +ATOM 928 CA ALA A 125 -7.299 82.237 57.779 1.00 15.72 C +ATOM 929 C ALA A 125 -7.211 82.421 59.261 1.00 18.24 C +ATOM 930 O ALA A 125 -7.330 83.544 59.813 1.00 18.55 O +ATOM 931 CB ALA A 125 -7.849 83.497 57.072 1.00 15.93 C +ATOM 932 N ALA A 126 -6.896 81.322 59.939 1.00 16.78 N +ATOM 933 CA ALA A 126 -6.822 81.346 61.397 1.00 19.67 C +ATOM 934 C ALA A 126 -5.793 80.320 61.852 1.00 17.24 C +ATOM 935 O ALA A 126 -6.119 79.503 62.763 1.00 17.96 O +ATOM 936 CB ALA A 126 -8.169 80.935 61.927 1.00 21.47 C +ATOM 937 N GLU A 127 -4.585 80.376 61.292 1.00 18.15 N +ATOM 938 CA GLU A 127 -3.604 79.292 61.493 1.00 17.71 C +ATOM 939 C GLU A 127 -3.255 79.270 62.990 1.00 18.18 C +ATOM 940 O GLU A 127 -3.010 80.341 63.620 1.00 18.98 O +ATOM 941 CB GLU A 127 -2.365 79.536 60.653 1.00 21.61 C +ATOM 942 CG GLU A 127 -1.240 78.560 60.937 1.00 26.73 C +ATOM 943 CD GLU A 127 -0.229 78.361 59.794 1.00 39.75 C +ATOM 944 OE1 GLU A 127 -0.353 78.913 58.644 1.00 41.36 O +ATOM 945 OE2 GLU A 127 0.741 77.604 60.086 1.00 50.94 O +ATOM 946 N LYS A 128 -3.267 78.079 63.561 1.00 17.29 N +ATOM 947 CA LYS A 128 -2.852 77.865 64.970 1.00 16.55 C +ATOM 948 C LYS A 128 -1.504 77.190 65.025 1.00 18.94 C +ATOM 949 O LYS A 128 -1.307 76.116 64.384 1.00 19.26 O +ATOM 950 CB LYS A 128 -3.851 76.988 65.736 1.00 14.70 C +ATOM 951 CG LYS A 128 -5.263 77.599 65.944 1.00 15.86 C +ATOM 952 CD LYS A 128 -6.119 76.882 66.905 1.00 16.35 C +ATOM 953 CE LYS A 128 -6.798 75.647 66.288 1.00 18.84 C +ATOM 954 NZ LYS A 128 -7.761 75.853 65.185 1.00 19.44 N +ATOM 955 N ILE A 129 -0.582 77.764 65.736 1.00 16.65 N +ATOM 956 CA ILE A 129 0.685 77.099 65.985 1.00 17.23 C +ATOM 957 C ILE A 129 0.476 75.826 66.868 1.00 16.46 C +ATOM 958 O ILE A 129 -0.525 75.718 67.572 1.00 16.58 O +ATOM 959 CB ILE A 129 1.747 78.025 66.558 1.00 20.68 C +ATOM 960 CG1 ILE A 129 1.400 78.518 67.949 1.00 20.19 C +ATOM 961 CG2 ILE A 129 1.919 79.190 65.540 1.00 21.77 C +ATOM 962 CD1 ILE A 129 2.523 79.329 68.598 1.00 20.79 C +ATOM 963 N ALA A 130 1.423 74.908 66.796 1.00 17.33 N +ATOM 964 CA ALA A 130 1.170 73.576 67.356 1.00 16.13 C +ATOM 965 C ALA A 130 0.604 73.561 68.788 1.00 15.19 C +ATOM 966 O ALA A 130 -0.393 72.916 69.084 1.00 17.18 O +ATOM 967 CB ALA A 130 2.443 72.703 67.282 1.00 15.75 C +ATOM 968 N VAL A 131 1.289 74.270 69.685 1.00 15.25 N +ATOM 969 CA VAL A 131 0.927 74.292 71.079 1.00 15.74 C +ATOM 970 C VAL A 131 -0.472 74.886 71.323 1.00 15.97 C +ATOM 971 O VAL A 131 -1.162 74.508 72.286 1.00 16.40 O +ATOM 972 CB VAL A 131 1.998 75.024 71.920 1.00 17.02 C +ATOM 973 CG1 VAL A 131 2.055 76.485 71.534 1.00 18.51 C +ATOM 974 CG2 VAL A 131 1.761 74.901 73.394 1.00 19.25 C +ATOM 975 N ALA A 132 -0.908 75.713 70.395 1.00 16.65 N +ATOM 976 CA ALA A 132 -2.256 76.253 70.462 1.00 16.54 C +ATOM 977 C ALA A 132 -3.338 75.426 69.844 1.00 16.80 C +ATOM 978 O ALA A 132 -4.525 75.695 70.032 1.00 17.09 O +ATOM 979 CB ALA A 132 -2.215 77.629 69.788 1.00 17.21 C +ATOM 980 N ASP A 133 -2.892 74.395 69.058 1.00 14.97 N +ATOM 981 CA ASP A 133 -3.702 73.629 68.147 1.00 14.41 C +ATOM 982 C ASP A 133 -3.973 72.278 68.816 1.00 16.36 C +ATOM 983 O ASP A 133 -4.859 72.160 69.617 1.00 17.37 O +ATOM 984 CB ASP A 133 -3.032 73.513 66.792 1.00 15.11 C +ATOM 985 CG ASP A 133 -3.821 72.762 65.761 1.00 16.77 C +ATOM 986 OD1 ASP A 133 -5.028 72.489 65.941 1.00 18.56 O +ATOM 987 OD2 ASP A 133 -3.171 72.415 64.718 1.00 19.83 O +ATOM 988 N ARG A 134 -3.139 71.280 68.481 1.00 16.00 N +ATOM 989 CA ARG A 134 -3.237 69.948 69.055 1.00 16.17 C +ATOM 990 C ARG A 134 -1.929 69.316 68.887 1.00 15.28 C +ATOM 991 O ARG A 134 -1.410 69.320 67.773 1.00 15.93 O +ATOM 992 CB ARG A 134 -4.330 69.169 68.383 1.00 16.98 C +ATOM 993 CG ARG A 134 -4.525 67.723 68.806 1.00 17.59 C +ATOM 994 CD ARG A 134 -5.862 67.183 68.334 1.00 20.10 C +ATOM 995 NE ARG A 134 -6.124 67.504 66.963 1.00 20.82 N +ATOM 996 CZ ARG A 134 -5.521 66.959 65.904 1.00 22.76 C +ATOM 997 NH1 ARG A 134 -4.723 65.852 65.967 1.00 20.62 N +ATOM 998 NH2 ARG A 134 -5.719 67.513 64.748 1.00 23.14 N +ATOM 999 N VAL A 135 -1.278 68.856 69.980 1.00 14.16 N +ATOM 1000 CA VAL A 135 0.090 68.416 69.922 1.00 14.62 C +ATOM 1001 C VAL A 135 0.381 67.653 71.169 1.00 15.47 C +ATOM 1002 O VAL A 135 -0.320 67.828 72.204 1.00 14.60 O +ATOM 1003 CB VAL A 135 1.081 69.594 69.686 1.00 16.02 C +ATOM 1004 CG1 VAL A 135 1.173 70.442 70.957 1.00 17.04 C +ATOM 1005 CG2 VAL A 135 2.454 69.106 69.228 1.00 17.18 C +ATOM 1006 N ASP A 136 1.322 66.712 71.103 1.00 13.55 N +ATOM 1007 CA ASP A 136 1.705 65.880 72.224 1.00 14.67 C +ATOM 1008 C ASP A 136 2.768 66.548 73.123 1.00 14.35 C +ATOM 1009 O ASP A 136 3.170 67.696 72.899 1.00 13.97 O +ATOM 1010 CB ASP A 136 2.113 64.476 71.738 1.00 15.68 C +ATOM 1011 CG ASP A 136 3.372 64.427 71.019 1.00 16.72 C +ATOM 1012 OD1 ASP A 136 4.260 65.293 71.106 1.00 15.71 O +ATOM 1013 OD2 ASP A 136 3.568 63.335 70.300 1.00 17.32 O +ATOM 1014 N ASN A 137 3.190 65.828 74.155 1.00 14.22 N +ATOM 1015 CA ASN A 137 4.178 66.310 75.097 1.00 14.64 C +ATOM 1016 C ASN A 137 3.652 67.570 75.789 1.00 14.14 C +ATOM 1017 O ASN A 137 4.483 68.472 76.112 1.00 16.36 O +ATOM 1018 CB ASN A 137 5.583 66.498 74.517 1.00 15.60 C +ATOM 1019 CG ASN A 137 6.726 66.260 75.543 1.00 17.04 C +ATOM 1020 OD1 ASN A 137 6.441 65.973 76.706 1.00 17.46 O +ATOM 1021 ND2 ASN A 137 7.972 66.448 75.097 1.00 17.70 N +ATOM 1022 N MET A 138 2.346 67.605 75.949 1.00 15.49 N +ATOM 1023 CA MET A 138 1.650 68.796 76.343 1.00 16.37 C +ATOM 1024 C MET A 138 0.716 68.573 77.489 1.00 15.78 C +ATOM 1025 O MET A 138 -0.068 67.650 77.532 1.00 16.64 O +ATOM 1026 CB MET A 138 0.923 69.441 75.130 1.00 17.63 C +ATOM 1027 CG MET A 138 0.283 70.801 75.533 1.00 17.56 C +ATOM 1028 SD MET A 138 -0.219 71.757 74.045 1.00 17.95 S +ATOM 1029 CE MET A 138 -1.655 70.915 73.524 1.00 16.62 C +ATOM 1030 N LEU A 139 0.776 69.482 78.469 1.00 16.90 N +ATOM 1031 CA LEU A 139 -0.223 69.577 79.497 1.00 17.23 C +ATOM 1032 C LEU A 139 -1.308 70.539 79.061 1.00 15.95 C +ATOM 1033 O LEU A 139 -0.924 71.683 78.690 1.00 17.67 O +ATOM 1034 CB LEU A 139 0.460 70.121 80.794 1.00 17.28 C +ATOM 1035 CG LEU A 139 1.354 69.138 81.502 1.00 19.33 C +ATOM 1036 CD1 LEU A 139 2.234 69.921 82.527 1.00 21.15 C +ATOM 1037 CD2 LEU A 139 0.577 68.044 82.150 1.00 19.62 C +ATOM 1038 N ALA A 140 -2.564 70.130 79.069 1.00 16.38 N +ATOM 1039 CA ALA A 140 -3.694 70.955 78.557 1.00 17.28 C +ATOM 1040 C ALA A 140 -4.721 71.091 79.661 1.00 18.61 C +ATOM 1041 O ALA A 140 -5.152 70.102 80.288 1.00 20.65 O +ATOM 1042 CB ALA A 140 -4.344 70.280 77.384 1.00 17.54 C +ATOM 1043 N TYR A 141 -5.213 72.332 79.836 1.00 18.13 N +ATOM 1044 CA TYR A 141 -6.156 72.662 80.907 1.00 18.37 C +ATOM 1045 C TYR A 141 -7.347 73.342 80.311 1.00 17.73 C +ATOM 1046 O TYR A 141 -7.205 74.150 79.395 1.00 17.11 O +ATOM 1047 CB TYR A 141 -5.487 73.593 81.955 1.00 18.68 C +ATOM 1048 CG TYR A 141 -6.514 74.237 82.879 1.00 20.19 C +ATOM 1049 CD1 TYR A 141 -6.987 73.547 83.985 1.00 20.52 C +ATOM 1050 CD2 TYR A 141 -7.023 75.444 82.598 1.00 21.54 C +ATOM 1051 CE1 TYR A 141 -8.028 74.054 84.759 1.00 21.78 C +ATOM 1052 CE2 TYR A 141 -8.025 75.994 83.417 1.00 23.10 C +ATOM 1053 CZ TYR A 141 -8.485 75.316 84.506 1.00 23.56 C +ATOM 1054 OH TYR A 141 -9.512 75.835 85.324 1.00 26.52 O +ATOM 1055 N LYS A 142 -8.530 73.023 80.820 1.00 17.01 N +ATOM 1056 CA LYS A 142 -9.759 73.774 80.532 1.00 18.15 C +ATOM 1057 C LYS A 142 -10.589 73.947 81.789 1.00 20.34 C +ATOM 1058 O LYS A 142 -10.663 73.017 82.564 1.00 21.73 O +ATOM 1059 CB LYS A 142 -10.581 73.174 79.387 1.00 18.97 C +ATOM 1060 CG LYS A 142 -11.149 71.799 79.636 1.00 21.70 C +ATOM 1061 CD LYS A 142 -11.887 71.169 78.493 1.00 27.89 C +ATOM 1062 CE LYS A 142 -12.457 69.838 79.006 1.00 31.36 C +ATOM 1063 NZ LYS A 142 -13.251 69.240 77.926 1.00 38.33 N +ATOM 1064 N GLY A 143 -11.255 75.079 81.923 1.00 18.70 N +ATOM 1065 CA GLY A 143 -12.167 75.283 83.087 1.00 20.25 C +ATOM 1066 C GLY A 143 -13.235 76.265 82.734 1.00 24.01 C +ATOM 1067 O GLY A 143 -13.025 77.098 81.847 1.00 23.03 O +ATOM 1068 N GLN A 144 -14.390 76.180 83.396 1.00 22.87 N +ATOM 1069 CA GLN A 144 -15.481 77.128 83.170 1.00 21.65 C +ATOM 1070 C GLN A 144 -15.896 77.637 84.569 1.00 26.89 C +ATOM 1071 O GLN A 144 -16.193 76.820 85.426 1.00 26.27 O +ATOM 1072 CB GLN A 144 -16.663 76.468 82.514 1.00 25.27 C +ATOM 1073 CG GLN A 144 -17.835 77.426 82.178 1.00 25.84 C +ATOM 1074 CD GLN A 144 -17.529 78.304 80.969 1.00 24.79 C +ATOM 1075 OE1 GLN A 144 -16.840 77.888 80.050 1.00 24.33 O +ATOM 1076 NE2 GLN A 144 -18.073 79.556 80.949 1.00 21.41 N +ATOM 1077 N PHE A 145 -15.855 78.943 84.762 1.00 25.52 N +ATOM 1078 CA PHE A 145 -16.159 79.621 86.060 1.00 27.35 C +ATOM 1079 C PHE A 145 -17.241 80.614 85.735 1.00 30.64 C +ATOM 1080 O PHE A 145 -16.969 81.717 85.243 1.00 25.93 O +ATOM 1081 CB PHE A 145 -14.937 80.323 86.518 1.00 28.73 C +ATOM 1082 CG PHE A 145 -13.764 79.391 86.730 1.00 34.31 C +ATOM 1083 CD1 PHE A 145 -13.583 78.767 87.951 1.00 33.92 C +ATOM 1084 CD2 PHE A 145 -12.850 79.125 85.697 1.00 34.34 C +ATOM 1085 CE1 PHE A 145 -12.550 77.881 88.130 1.00 36.97 C +ATOM 1086 CE2 PHE A 145 -11.807 78.225 85.889 1.00 33.60 C +ATOM 1087 CZ PHE A 145 -11.663 77.608 87.094 1.00 31.80 C +ATOM 1088 N GLY A 146 -18.446 80.224 86.016 1.00 27.55 N +ATOM 1089 CA GLY A 146 -19.568 81.007 85.608 1.00 30.76 C +ATOM 1090 C GLY A 146 -19.563 81.263 84.114 1.00 27.70 C +ATOM 1091 O GLY A 146 -19.646 80.345 83.300 1.00 26.33 O +ATOM 1092 N ASP A 147 -19.539 82.546 83.753 1.00 23.98 N +ATOM 1093 CA ASP A 147 -19.564 82.946 82.342 1.00 23.31 C +ATOM 1094 C ASP A 147 -18.192 83.049 81.741 1.00 19.72 C +ATOM 1095 O ASP A 147 -18.122 83.452 80.567 1.00 19.60 O +ATOM 1096 CB ASP A 147 -20.307 84.282 82.235 1.00 25.03 C +ATOM 1097 CG ASP A 147 -21.817 84.082 82.223 1.00 28.35 C +ATOM 1098 OD1 ASP A 147 -22.293 83.025 81.768 1.00 32.04 O +ATOM 1099 OD2 ASP A 147 -22.551 85.038 82.580 1.00 30.65 O +ATOM 1100 N LEU A 148 -17.159 82.702 82.487 1.00 21.75 N +ATOM 1101 CA LEU A 148 -15.788 82.755 82.011 1.00 21.51 C +ATOM 1102 C LEU A 148 -15.291 81.329 81.652 1.00 20.44 C +ATOM 1103 O LEU A 148 -15.207 80.491 82.536 1.00 21.81 O +ATOM 1104 CB LEU A 148 -14.836 83.336 83.001 1.00 22.69 C +ATOM 1105 CG LEU A 148 -13.356 83.410 82.682 1.00 23.46 C +ATOM 1106 CD1 LEU A 148 -13.129 84.307 81.469 1.00 22.92 C +ATOM 1107 CD2 LEU A 148 -12.451 83.834 83.834 1.00 25.45 C +ATOM 1108 N GLY A 149 -14.948 81.092 80.366 1.00 18.34 N +ATOM 1109 CA GLY A 149 -14.207 79.808 79.943 1.00 19.05 C +ATOM 1110 C GLY A 149 -12.749 80.084 79.772 1.00 16.50 C +ATOM 1111 O GLY A 149 -12.353 81.090 79.124 1.00 16.64 O +ATOM 1112 N VAL A 150 -11.841 79.292 80.376 1.00 16.32 N +ATOM 1113 CA AVAL A 150 -10.430 79.471 80.210 0.50 16.33 C +ATOM 1114 CA BVAL A 150 -10.435 79.440 80.298 0.50 15.79 C +ATOM 1115 C VAL A 150 -9.840 78.148 79.743 1.00 17.65 C +ATOM 1116 O VAL A 150 -10.299 77.075 80.137 1.00 19.81 O +ATOM 1117 CB AVAL A 150 -9.665 79.965 81.502 0.50 18.70 C +ATOM 1118 CB BVAL A 150 -9.826 79.671 81.727 0.50 17.46 C +ATOM 1119 CG1AVAL A 150 -9.964 81.446 81.824 0.50 18.65 C +ATOM 1120 CG1BVAL A 150 -8.328 79.869 81.661 0.50 15.93 C +ATOM 1121 CG2AVAL A 150 -10.047 79.105 82.682 0.50 19.29 C +ATOM 1122 CG2BVAL A 150 -10.434 80.898 82.391 0.50 17.64 C +ATOM 1123 N LYS A 151 -8.880 78.300 78.862 1.00 16.95 N +ATOM 1124 CA LYS A 151 -8.003 77.169 78.470 1.00 17.67 C +ATOM 1125 C LYS A 151 -6.587 77.586 78.564 1.00 16.94 C +ATOM 1126 O LYS A 151 -6.225 78.799 78.348 1.00 17.97 O +ATOM 1127 CB LYS A 151 -8.318 76.752 77.070 1.00 17.30 C +ATOM 1128 CG LYS A 151 -9.687 76.170 76.968 1.00 20.90 C +ATOM 1129 CD LYS A 151 -9.886 75.395 75.671 1.00 22.55 C +ATOM 1130 CE LYS A 151 -9.280 74.026 75.783 1.00 24.92 C +ATOM 1131 NZ LYS A 151 -9.637 73.264 74.574 1.00 26.74 N +ATOM 1132 N ALA A 152 -5.682 76.609 78.803 1.00 17.68 N +ATOM 1133 CA ALA A 152 -4.272 76.894 78.779 1.00 17.22 C +ATOM 1134 C ALA A 152 -3.532 75.611 78.415 1.00 18.78 C +ATOM 1135 O ALA A 152 -4.092 74.509 78.645 1.00 20.40 O +ATOM 1136 CB ALA A 152 -3.749 77.386 80.128 1.00 19.77 C +ATOM 1137 N SER A 153 -2.343 75.759 77.884 1.00 16.49 N +ATOM 1138 CA SER A 153 -1.499 74.585 77.716 1.00 17.09 C +ATOM 1139 C SER A 153 -0.040 74.959 77.864 1.00 16.23 C +ATOM 1140 O SER A 153 0.379 76.135 77.642 1.00 17.05 O +ATOM 1141 CB SER A 153 -1.787 73.973 76.328 1.00 17.46 C +ATOM 1142 OG SER A 153 -1.245 74.712 75.247 1.00 17.53 O +ATOM 1143 N TYR A 154 0.785 73.947 78.147 1.00 16.77 N +ATOM 1144 CA TYR A 154 2.204 74.080 78.249 1.00 17.18 C +ATOM 1145 C TYR A 154 2.814 72.826 77.655 1.00 17.22 C +ATOM 1146 O TYR A 154 2.423 71.726 78.069 1.00 17.92 O +ATOM 1147 CB TYR A 154 2.704 74.217 79.713 1.00 18.66 C +ATOM 1148 CG TYR A 154 4.187 74.196 79.708 1.00 19.82 C +ATOM 1149 CD1 TYR A 154 4.928 75.307 79.258 1.00 25.35 C +ATOM 1150 CD2 TYR A 154 4.909 73.041 79.979 1.00 25.14 C +ATOM 1151 CE1 TYR A 154 6.311 75.275 79.157 1.00 26.50 C +ATOM 1152 CE2 TYR A 154 6.296 73.028 79.879 1.00 25.18 C +ATOM 1153 CZ TYR A 154 6.987 74.116 79.462 1.00 29.83 C +ATOM 1154 OH TYR A 154 8.378 74.054 79.340 1.00 35.78 O +ATOM 1155 N ARG A 155 3.580 73.027 76.617 1.00 17.04 N +ATOM 1156 CA ARG A 155 4.272 71.902 75.962 1.00 18.47 C +ATOM 1157 C ARG A 155 5.730 71.914 76.353 1.00 17.38 C +ATOM 1158 O ARG A 155 6.456 72.965 76.276 1.00 17.60 O +ATOM 1159 CB ARG A 155 4.157 72.102 74.437 1.00 23.24 C +ATOM 1160 CG ARG A 155 4.779 71.062 73.627 1.00 24.99 C +ATOM 1161 CD ARG A 155 4.634 71.221 72.109 1.00 19.29 C +ATOM 1162 NE ARG A 155 4.749 69.836 71.717 1.00 18.69 N +ATOM 1163 CZ ARG A 155 5.895 69.197 71.490 1.00 17.19 C +ATOM 1164 NH1 ARG A 155 7.030 69.868 71.444 1.00 18.10 N +ATOM 1165 NH2 ARG A 155 5.844 67.925 71.206 1.00 18.46 N +ATOM 1166 N PHE A 156 6.229 70.740 76.692 1.00 17.26 N +ATOM 1167 CA PHE A 156 7.650 70.560 76.931 1.00 17.40 C +ATOM 1168 C PHE A 156 8.457 70.450 75.581 1.00 19.14 C +ATOM 1169 O PHE A 156 7.920 69.910 74.601 1.00 19.45 O +ATOM 1170 CB PHE A 156 7.917 69.266 77.700 1.00 18.52 C +ATOM 1171 CG PHE A 156 7.293 69.185 79.043 1.00 19.02 C +ATOM 1172 CD1 PHE A 156 7.984 69.669 80.166 1.00 25.45 C +ATOM 1173 CD2 PHE A 156 6.003 68.714 79.226 1.00 20.70 C +ATOM 1174 CE1 PHE A 156 7.333 69.580 81.418 1.00 24.12 C +ATOM 1175 CE2 PHE A 156 5.368 68.656 80.468 1.00 23.74 C +ATOM 1176 CZ PHE A 156 6.048 69.119 81.545 1.00 23.84 C +ATOM 1177 N ALA A 157 9.698 70.924 75.530 1.00 18.72 N +ATOM 1178 CA ALA A 157 10.594 70.543 74.397 1.00 19.27 C +ATOM 1179 C ALA A 157 10.763 69.026 74.393 1.00 20.07 C +ATOM 1180 O ALA A 157 10.773 68.418 75.442 1.00 19.23 O +ATOM 1181 CB ALA A 157 11.918 71.175 74.512 1.00 21.68 C +ATOM 1182 N ASP A 158 10.837 68.423 73.192 1.00 16.75 N +ATOM 1183 CA ASP A 158 11.026 67.024 73.128 1.00 18.41 C +ATOM 1184 C ASP A 158 12.489 66.653 73.260 1.00 17.79 C +ATOM 1185 O ASP A 158 13.373 67.138 72.527 1.00 19.70 O +ATOM 1186 CB ASP A 158 10.507 66.481 71.776 1.00 19.38 C +ATOM 1187 CG ASP A 158 9.075 66.928 71.476 1.00 17.41 C +ATOM 1188 OD1 ASP A 158 8.189 66.325 72.051 1.00 18.85 O +ATOM 1189 OD2 ASP A 158 8.922 67.886 70.664 1.00 18.36 O +ATOM 1190 N ARG A 159 12.755 65.734 74.173 1.00 17.83 N +ATOM 1191 CA ARG A 159 14.100 65.172 74.362 1.00 17.54 C +ATOM 1192 C ARG A 159 14.581 64.564 73.036 1.00 18.98 C +ATOM 1193 O ARG A 159 13.792 63.900 72.327 1.00 17.92 O +ATOM 1194 CB ARG A 159 14.011 64.118 75.446 1.00 17.89 C +ATOM 1195 CG ARG A 159 15.389 63.538 75.788 1.00 18.06 C +ATOM 1196 CD ARG A 159 15.390 62.667 77.001 1.00 18.30 C +ATOM 1197 NE ARG A 159 14.739 61.374 76.781 1.00 18.18 N +ATOM 1198 CZ ARG A 159 13.778 60.848 77.506 1.00 19.43 C +ATOM 1199 NH1 ARG A 159 13.204 61.574 78.445 1.00 18.53 N +ATOM 1200 NH2 ARG A 159 13.318 59.618 77.277 1.00 20.64 N +ATOM 1201 N ASN A 160 15.859 64.738 72.763 1.00 19.84 N +ATOM 1202 CA ASN A 160 16.494 64.019 71.660 1.00 21.88 C +ATOM 1203 C ASN A 160 17.892 63.590 72.112 1.00 23.61 C +ATOM 1204 O ASN A 160 18.286 63.875 73.246 1.00 22.41 O +ATOM 1205 CB ASN A 160 16.500 64.838 70.371 1.00 24.74 C +ATOM 1206 CG ASN A 160 17.322 66.113 70.451 1.00 23.69 C +ATOM 1207 OD1 ASN A 160 18.129 66.323 71.382 1.00 25.35 O +ATOM 1208 ND2 ASN A 160 17.072 67.049 69.494 1.00 27.28 N +ATOM 1209 N ALA A 161 18.582 62.865 71.252 1.00 25.84 N +ATOM 1210 CA ALA A 161 19.936 62.423 71.560 1.00 24.26 C +ATOM 1211 C ALA A 161 20.863 62.968 70.497 1.00 25.57 C +ATOM 1212 O ALA A 161 20.534 62.953 69.285 1.00 30.57 O +ATOM 1213 CB ALA A 161 19.966 60.897 71.660 1.00 25.31 C +ATOM 1214 N VAL A 162 21.991 63.520 70.920 1.00 27.38 N +ATOM 1215 CA VAL A 162 22.929 64.181 69.976 1.00 25.85 C +ATOM 1216 C VAL A 162 24.377 63.714 70.100 1.00 29.48 C +ATOM 1217 O VAL A 162 24.754 63.206 71.166 1.00 24.45 O +ATOM 1218 CB VAL A 162 22.907 65.689 70.138 1.00 26.31 C +ATOM 1219 CG1 VAL A 162 21.529 66.226 69.762 1.00 31.02 C +ATOM 1220 CG2 VAL A 162 23.330 66.146 71.507 1.00 25.18 C +ATOM 1221 N ASP A 163 25.190 63.927 69.036 1.00 28.32 N +ATOM 1222 CA ASP A 163 26.669 63.678 69.131 1.00 29.93 C +ATOM 1223 C ASP A 163 27.396 64.867 69.674 1.00 30.83 C +ATOM 1224 O ASP A 163 26.726 65.822 70.102 1.00 29.25 O +ATOM 1225 CB ASP A 163 27.303 63.229 67.803 1.00 31.11 C +ATOM 1226 CG ASP A 163 27.359 64.292 66.732 1.00 36.26 C +ATOM 1227 OD1 ASP A 163 27.210 65.525 66.969 1.00 32.27 O +ATOM 1228 OD2 ASP A 163 27.629 63.843 65.556 1.00 38.68 O +ATOM 1229 N ALA A 164 28.727 64.809 69.676 1.00 30.28 N +ATOM 1230 CA ALA A 164 29.519 65.826 70.374 1.00 34.55 C +ATOM 1231 C ALA A 164 29.490 67.194 69.692 1.00 36.15 C +ATOM 1232 O ALA A 164 29.893 68.188 70.324 1.00 36.48 O +ATOM 1233 CB ALA A 164 30.972 65.373 70.585 1.00 35.67 C +ATOM 1234 N MET A 165 29.059 67.244 68.425 1.00 26.72 N +ATOM 1235 CA MET A 165 28.849 68.481 67.704 1.00 36.57 C +ATOM 1236 C MET A 165 27.352 68.879 67.662 1.00 40.47 C +ATOM 1237 O MET A 165 27.002 69.754 66.901 1.00 41.42 O +ATOM 1238 CB MET A 165 29.221 68.323 66.202 1.00 40.64 C +ATOM 1239 CG MET A 165 30.605 67.966 65.777 1.00 43.49 C +ATOM 1240 SD MET A 165 30.402 67.281 64.088 1.00 30.43 S +ATOM 1241 CE MET A 165 29.774 68.641 63.082 1.00 33.26 C +ATOM 1242 N GLY A 166 26.431 68.207 68.362 1.00 35.12 N +ATOM 1243 CA GLY A 166 25.024 68.634 68.312 1.00 36.25 C +ATOM 1244 C GLY A 166 24.195 68.016 67.205 1.00 40.49 C +ATOM 1245 O GLY A 166 22.998 68.304 67.104 1.00 43.73 O +ATOM 1246 N ASN A 167 24.782 67.164 66.346 1.00 42.21 N +ATOM 1247 CA ASN A 167 23.935 66.409 65.368 1.00 38.40 C +ATOM 1248 C ASN A 167 22.991 65.417 66.092 1.00 38.64 C +ATOM 1249 O ASN A 167 23.433 64.629 66.982 1.00 30.80 O +ATOM 1250 CB ASN A 167 24.798 65.556 64.395 1.00 42.10 C +ATOM 1251 CG ASN A 167 25.906 66.353 63.645 1.00 47.35 C +ATOM 1252 OD1 ASN A 167 25.621 67.359 62.994 1.00 43.12 O +ATOM 1253 ND2 ASN A 167 27.185 65.839 63.687 1.00 39.86 N +ATOM 1254 N VAL A 168 21.741 65.327 65.644 1.00 32.56 N +ATOM 1255 CA VAL A 168 20.776 64.337 66.148 1.00 33.27 C +ATOM 1256 C VAL A 168 21.016 62.912 65.664 1.00 36.56 C +ATOM 1257 O VAL A 168 21.113 62.704 64.460 1.00 38.23 O +ATOM 1258 CB VAL A 168 19.299 64.763 65.784 1.00 36.34 C +ATOM 1259 CG1 VAL A 168 18.244 63.733 66.176 1.00 37.05 C +ATOM 1260 CG2 VAL A 168 18.968 66.081 66.396 1.00 34.58 C +ATOM 1261 N VAL A 169 21.027 61.917 66.548 1.00 29.78 N +ATOM 1262 CA VAL A 169 21.349 60.562 66.217 1.00 31.57 C +ATOM 1263 C VAL A 169 20.511 59.618 67.028 1.00 31.08 C +ATOM 1264 O VAL A 169 19.865 60.068 67.979 1.00 34.29 O +ATOM 1265 CB VAL A 169 22.868 60.329 66.530 1.00 32.81 C +ATOM 1266 CG1 VAL A 169 23.710 61.181 65.576 1.00 36.13 C +ATOM 1267 CG2 VAL A 169 23.207 60.679 67.991 1.00 30.16 C +ATOM 1268 N THR A 170 20.623 58.334 66.767 1.00 35.22 N +ATOM 1269 CA THR A 170 20.085 57.295 67.629 1.00 37.86 C +ATOM 1270 C THR A 170 20.698 57.393 69.026 1.00 35.73 C +ATOM 1271 O THR A 170 21.855 57.778 69.178 1.00 32.80 O +ATOM 1272 CB THR A 170 20.382 55.854 67.120 1.00 44.24 C +ATOM 1273 OG1 THR A 170 21.780 55.528 67.312 1.00 47.61 O +ATOM 1274 CG2 THR A 170 19.969 55.646 65.626 1.00 45.15 C +ATOM 1275 N GLU A 171 19.938 57.015 70.038 1.00 33.81 N +ATOM 1276 CA GLU A 171 20.430 57.015 71.408 1.00 33.52 C +ATOM 1277 C GLU A 171 21.667 56.178 71.576 1.00 35.44 C +ATOM 1278 O GLU A 171 22.582 56.609 72.242 1.00 31.76 O +ATOM 1279 CB GLU A 171 19.362 56.516 72.399 1.00 38.02 C +ATOM 1280 CG GLU A 171 18.235 57.491 72.566 1.00 40.94 C +ATOM 1281 CD GLU A 171 17.331 57.224 73.755 1.00 45.32 C +ATOM 1282 OE1 GLU A 171 17.783 56.659 74.763 1.00 50.50 O +ATOM 1283 OE2 GLU A 171 16.165 57.626 73.678 1.00 55.29 O +ATOM 1284 N THR A 172 21.739 55.007 70.929 1.00 37.33 N +ATOM 1285 CA THR A 172 22.936 54.167 71.030 1.00 36.53 C +ATOM 1286 C THR A 172 24.213 54.895 70.591 1.00 35.28 C +ATOM 1287 O THR A 172 25.279 54.654 71.149 1.00 40.70 O +ATOM 1288 CB THR A 172 22.756 52.865 70.213 1.00 47.44 C +ATOM 1289 OG1 THR A 172 21.744 52.077 70.852 1.00 50.41 O +ATOM 1290 CG2 THR A 172 24.026 52.052 70.122 1.00 45.83 C +ATOM 1291 N ASN A 173 24.111 55.781 69.627 1.00 28.84 N +ATOM 1292 CA ASN A 173 25.229 56.530 69.118 1.00 30.05 C +ATOM 1293 C ASN A 173 25.406 57.911 69.699 1.00 28.48 C +ATOM 1294 O ASN A 173 26.225 58.672 69.213 1.00 29.06 O +ATOM 1295 CB ASN A 173 25.137 56.651 67.609 1.00 32.73 C +ATOM 1296 CG ASN A 173 25.392 55.342 66.912 1.00 35.16 C +ATOM 1297 OD1 ASN A 173 25.760 54.356 67.536 1.00 38.34 O +ATOM 1298 ND2 ASN A 173 25.163 55.321 65.626 1.00 37.80 N +ATOM 1299 N ALA A 174 24.625 58.297 70.718 1.00 23.90 N +ATOM 1300 CA ALA A 174 24.637 59.687 71.149 1.00 24.13 C +ATOM 1301 C ALA A 174 25.676 59.939 72.203 1.00 22.85 C +ATOM 1302 O ALA A 174 26.055 58.999 72.932 1.00 26.14 O +ATOM 1303 CB ALA A 174 23.265 60.035 71.743 1.00 24.73 C +ATOM 1304 N ALA A 175 26.115 61.183 72.303 1.00 23.77 N +ATOM 1305 CA ALA A 175 26.976 61.610 73.378 1.00 27.31 C +ATOM 1306 C ALA A 175 26.198 62.176 74.562 1.00 26.36 C +ATOM 1307 O ALA A 175 26.646 62.142 75.713 1.00 26.81 O +ATOM 1308 CB ALA A 175 27.983 62.577 72.887 1.00 28.66 C +ATOM 1309 N LYS A 176 25.035 62.760 74.319 1.00 25.97 N +ATOM 1310 CA LYS A 176 24.218 63.287 75.403 1.00 25.71 C +ATOM 1311 C LYS A 176 22.777 63.464 74.918 1.00 23.36 C +ATOM 1312 O LYS A 176 22.533 63.460 73.735 1.00 22.94 O +ATOM 1313 CB LYS A 176 24.722 64.665 75.842 1.00 28.89 C +ATOM 1314 CG LYS A 176 24.618 65.753 74.795 1.00 34.37 C +ATOM 1315 CD LYS A 176 25.278 67.071 75.236 1.00 44.15 C +ATOM 1316 CE LYS A 176 24.528 68.265 74.629 1.00 51.22 C +ATOM 1317 NZ LYS A 176 25.217 69.589 74.737 1.00 53.86 N +ATOM 1318 N TYR A 177 21.889 63.645 75.872 1.00 23.57 N +ATOM 1319 CA TYR A 177 20.543 64.103 75.559 1.00 23.20 C +ATOM 1320 C TYR A 177 20.534 65.614 75.415 1.00 23.70 C +ATOM 1321 O TYR A 177 21.225 66.382 76.071 1.00 23.24 O +ATOM 1322 CB TYR A 177 19.554 63.710 76.613 1.00 20.83 C +ATOM 1323 CG TYR A 177 19.239 62.252 76.714 1.00 21.73 C +ATOM 1324 CD1 TYR A 177 18.644 61.583 75.678 1.00 21.68 C +ATOM 1325 CD2 TYR A 177 19.551 61.498 77.839 1.00 24.32 C +ATOM 1326 CE1 TYR A 177 18.302 60.240 75.749 1.00 23.78 C +ATOM 1327 CE2 TYR A 177 19.221 60.148 77.910 1.00 22.04 C +ATOM 1328 CZ TYR A 177 18.619 59.503 76.844 1.00 25.80 C +ATOM 1329 OH TYR A 177 18.228 58.168 76.828 1.00 27.36 O +ATOM 1330 N SER A 178 19.689 66.064 74.502 1.00 22.01 N +ATOM 1331 CA SER A 178 19.401 67.480 74.314 1.00 22.27 C +ATOM 1332 C SER A 178 17.842 67.548 74.119 1.00 20.33 C +ATOM 1333 O SER A 178 17.093 66.641 74.548 1.00 19.75 O +ATOM 1334 CB SER A 178 20.192 68.042 73.131 1.00 21.21 C +ATOM 1335 OG SER A 178 20.064 69.452 73.053 1.00 25.34 O +ATOM 1336 N ASP A 179 17.397 68.661 73.558 1.00 21.29 N +ATOM 1337 CA ASP A 179 15.977 68.798 73.111 1.00 21.26 C +ATOM 1338 C ASP A 179 15.902 69.607 71.866 1.00 22.31 C +ATOM 1339 O ASP A 179 16.892 70.213 71.436 1.00 22.20 O +ATOM 1340 CB ASP A 179 15.066 69.301 74.252 1.00 21.90 C +ATOM 1341 CG ASP A 179 15.398 70.733 74.676 1.00 23.90 C +ATOM 1342 OD1 ASP A 179 15.366 71.653 73.813 1.00 22.97 O +ATOM 1343 OD2 ASP A 179 15.701 70.946 75.872 1.00 29.57 O +ATOM 1344 N ASN A 180 14.700 69.626 71.270 1.00 19.00 N +ATOM 1345 CA ASN A 180 14.478 70.290 70.014 1.00 20.98 C +ATOM 1346 C ASN A 180 14.043 71.765 70.160 1.00 20.82 C +ATOM 1347 O ASN A 180 13.683 72.390 69.184 1.00 21.29 O +ATOM 1348 CB ASN A 180 13.519 69.495 69.179 1.00 19.60 C +ATOM 1349 CG ASN A 180 12.156 69.400 69.744 1.00 19.38 C +ATOM 1350 OD1 ASN A 180 11.898 69.940 70.822 1.00 18.73 O +ATOM 1351 ND2 ASN A 180 11.237 68.728 69.037 1.00 20.37 N +ATOM 1352 N GLY A 181 14.079 72.300 71.372 1.00 19.13 N +ATOM 1353 CA GLY A 181 13.607 73.683 71.604 1.00 20.38 C +ATOM 1354 C GLY A 181 12.114 73.946 71.353 1.00 22.79 C +ATOM 1355 O GLY A 181 11.698 75.115 71.263 1.00 20.86 O +ATOM 1356 N GLU A 182 11.304 72.898 71.253 1.00 18.94 N +ATOM 1357 CA GLU A 182 9.872 73.090 70.886 1.00 19.20 C +ATOM 1358 C GLU A 182 8.955 73.186 72.110 1.00 20.55 C +ATOM 1359 O GLU A 182 7.842 72.616 72.135 1.00 20.23 O +ATOM 1360 CB GLU A 182 9.421 72.026 69.904 1.00 20.32 C +ATOM 1361 CG GLU A 182 10.233 72.097 68.616 1.00 21.44 C +ATOM 1362 CD GLU A 182 9.816 73.253 67.680 1.00 27.39 C +ATOM 1363 OE1 GLU A 182 8.921 74.075 67.954 1.00 24.69 O +ATOM 1364 OE2 GLU A 182 10.432 73.282 66.607 1.00 29.10 O +ATOM 1365 N ASP A 183 9.452 73.786 73.208 1.00 19.39 N +ATOM 1366 CA ASP A 183 8.562 74.094 74.295 1.00 19.74 C +ATOM 1367 C ASP A 183 7.653 75.281 73.908 1.00 17.82 C +ATOM 1368 O ASP A 183 8.012 76.088 73.016 1.00 20.36 O +ATOM 1369 CB ASP A 183 9.385 74.375 75.584 1.00 20.20 C +ATOM 1370 CG ASP A 183 10.353 75.511 75.434 1.00 25.36 C +ATOM 1371 OD1 ASP A 183 11.124 75.596 74.506 1.00 27.15 O +ATOM 1372 OD2 ASP A 183 10.306 76.402 76.226 1.00 31.86 O +ATOM 1373 N GLY A 184 6.581 75.423 74.632 1.00 19.32 N +ATOM 1374 CA GLY A 184 5.628 76.474 74.364 1.00 17.30 C +ATOM 1375 C GLY A 184 4.494 76.500 75.263 1.00 17.29 C +ATOM 1376 O GLY A 184 4.349 75.649 76.136 1.00 18.69 O +ATOM 1377 N TYR A 185 3.636 77.534 75.055 1.00 16.12 N +ATOM 1378 CA TYR A 185 2.402 77.643 75.816 1.00 18.02 C +ATOM 1379 C TYR A 185 1.325 78.323 75.060 1.00 16.52 C +ATOM 1380 O TYR A 185 1.588 79.005 74.053 1.00 17.25 O +ATOM 1381 CB TYR A 185 2.610 78.401 77.166 1.00 19.68 C +ATOM 1382 CG TYR A 185 3.087 79.826 76.983 1.00 20.89 C +ATOM 1383 CD1 TYR A 185 4.439 80.099 76.867 1.00 24.28 C +ATOM 1384 CD2 TYR A 185 2.170 80.893 76.864 1.00 26.84 C +ATOM 1385 CE1 TYR A 185 4.907 81.394 76.716 1.00 28.64 C +ATOM 1386 CE2 TYR A 185 2.645 82.195 76.665 1.00 29.97 C +ATOM 1387 CZ TYR A 185 3.995 82.414 76.605 1.00 30.99 C +ATOM 1388 OH TYR A 185 4.463 83.712 76.401 1.00 41.85 O +ATOM 1389 N SER A 186 0.096 78.131 75.510 1.00 15.61 N +ATOM 1390 CA SER A 186 -1.072 78.820 74.953 1.00 16.34 C +ATOM 1391 C SER A 186 -2.003 79.147 76.087 1.00 16.82 C +ATOM 1392 O SER A 186 -2.033 78.505 77.129 1.00 15.85 O +ATOM 1393 CB SER A 186 -1.765 77.997 73.877 1.00 16.49 C +ATOM 1394 OG SER A 186 -2.470 76.903 74.376 1.00 15.59 O +ATOM 1395 N LEU A 187 -2.798 80.171 75.850 1.00 17.77 N +ATOM 1396 CA LEU A 187 -3.782 80.648 76.892 1.00 18.84 C +ATOM 1397 C LEU A 187 -4.969 81.288 76.156 1.00 16.29 C +ATOM 1398 O LEU A 187 -4.778 82.020 75.180 1.00 16.54 O +ATOM 1399 CB LEU A 187 -3.111 81.666 77.830 1.00 23.06 C +ATOM 1400 CG LEU A 187 -3.891 82.237 78.999 1.00 30.89 C +ATOM 1401 CD1 LEU A 187 -4.277 81.144 80.005 1.00 35.56 C +ATOM 1402 CD2 LEU A 187 -3.047 83.309 79.692 1.00 29.54 C +ATOM 1403 N SER A 188 -6.193 81.045 76.588 1.00 16.05 N +ATOM 1404 CA SER A 188 -7.355 81.717 76.044 1.00 15.81 C +ATOM 1405 C SER A 188 -8.426 81.922 77.094 1.00 16.36 C +ATOM 1406 O SER A 188 -8.508 81.237 78.080 1.00 16.66 O +ATOM 1407 CB SER A 188 -7.943 80.943 74.871 1.00 17.76 C +ATOM 1408 OG SER A 188 -8.583 79.746 75.262 1.00 16.40 O +ATOM 1409 N ALA A 189 -9.264 82.882 76.820 1.00 16.44 N +ATOM 1410 CA ALA A 189 -10.444 83.214 77.649 1.00 17.76 C +ATOM 1411 C ALA A 189 -11.589 83.551 76.802 1.00 16.82 C +ATOM 1412 O ALA A 189 -11.391 84.265 75.780 1.00 17.75 O +ATOM 1413 CB ALA A 189 -10.121 84.405 78.602 1.00 19.61 C +ATOM 1414 N ILE A 190 -12.795 83.079 77.137 1.00 15.87 N +ATOM 1415 CA ILE A 190 -14.025 83.414 76.481 1.00 16.88 C +ATOM 1416 C ILE A 190 -15.006 83.910 77.548 1.00 18.06 C +ATOM 1417 O ILE A 190 -15.150 83.284 78.573 1.00 18.37 O +ATOM 1418 CB ILE A 190 -14.680 82.202 75.814 1.00 16.49 C +ATOM 1419 CG1 ILE A 190 -13.764 81.833 74.616 1.00 19.49 C +ATOM 1420 CG2 ILE A 190 -16.077 82.500 75.330 1.00 18.40 C +ATOM 1421 CD1 ILE A 190 -14.182 80.520 73.979 1.00 20.46 C +ATOM 1422 N TYR A 191 -15.657 85.029 77.285 1.00 19.16 N +ATOM 1423 CA TYR A 191 -16.655 85.549 78.227 1.00 18.90 C +ATOM 1424 C TYR A 191 -17.982 85.579 77.529 1.00 16.52 C +ATOM 1425 O TYR A 191 -18.118 86.142 76.413 1.00 17.06 O +ATOM 1426 CB TYR A 191 -16.305 86.980 78.795 1.00 17.12 C +ATOM 1427 CG TYR A 191 -17.098 87.196 80.071 1.00 17.91 C +ATOM 1428 CD1 TYR A 191 -16.594 86.754 81.265 1.00 22.51 C +ATOM 1429 CD2 TYR A 191 -18.350 87.854 80.053 1.00 18.65 C +ATOM 1430 CE1 TYR A 191 -17.333 86.876 82.458 1.00 23.29 C +ATOM 1431 CE2 TYR A 191 -19.102 87.981 81.258 1.00 20.76 C +ATOM 1432 CZ TYR A 191 -18.572 87.479 82.412 1.00 24.51 C +ATOM 1433 OH TYR A 191 -19.215 87.559 83.646 1.00 27.41 O +ATOM 1434 N THR A 192 -18.991 84.877 78.140 1.00 16.84 N +ATOM 1435 CA THR A 192 -20.317 84.830 77.654 1.00 18.47 C +ATOM 1436 C THR A 192 -21.151 85.841 78.508 1.00 18.49 C +ATOM 1437 O THR A 192 -21.211 85.697 79.718 1.00 21.53 O +ATOM 1438 CB THR A 192 -20.942 83.408 77.805 1.00 22.93 C +ATOM 1439 OG1 THR A 192 -20.085 82.491 77.049 1.00 21.18 O +ATOM 1440 CG2 THR A 192 -22.351 83.402 77.393 1.00 25.14 C +ATOM 1441 N PHE A 193 -21.720 86.825 77.852 1.00 19.57 N +ATOM 1442 CA PHE A 193 -22.437 87.874 78.624 1.00 20.78 C +ATOM 1443 C PHE A 193 -23.904 87.437 78.942 1.00 20.52 C +ATOM 1444 O PHE A 193 -24.843 87.773 78.221 1.00 21.83 O +ATOM 1445 CB PHE A 193 -22.375 89.138 77.832 1.00 18.64 C +ATOM 1446 CG PHE A 193 -21.026 89.827 77.896 1.00 19.84 C +ATOM 1447 CD1 PHE A 193 -20.622 90.562 78.992 1.00 20.32 C +ATOM 1448 CD2 PHE A 193 -20.120 89.668 76.830 1.00 20.79 C +ATOM 1449 CE1 PHE A 193 -19.358 91.129 79.065 1.00 20.50 C +ATOM 1450 CE2 PHE A 193 -18.866 90.292 76.851 1.00 20.60 C +ATOM 1451 CZ PHE A 193 -18.463 91.039 77.956 1.00 20.08 C +ATOM 1452 N GLY A 194 -24.022 86.601 79.956 1.00 24.15 N +ATOM 1453 CA GLY A 194 -25.331 86.069 80.431 1.00 27.11 C +ATOM 1454 C GLY A 194 -26.088 85.397 79.323 1.00 27.61 C +ATOM 1455 O GLY A 194 -25.541 84.554 78.587 1.00 27.47 O +ATOM 1456 N ASP A 195 -27.325 85.836 79.170 1.00 25.95 N +ATOM 1457 CA ASP A 195 -28.247 85.380 78.158 1.00 27.34 C +ATOM 1458 C ASP A 195 -28.374 86.261 76.960 1.00 25.20 C +ATOM 1459 O ASP A 195 -29.344 86.106 76.208 1.00 28.54 O +ATOM 1460 CB ASP A 195 -29.663 85.249 78.815 1.00 35.77 C +ATOM 1461 CG ASP A 195 -29.680 84.259 79.953 1.00 46.66 C +ATOM 1462 OD1 ASP A 195 -28.799 83.352 80.011 1.00 48.44 O +ATOM 1463 OD2 ASP A 195 -30.579 84.384 80.800 1.00 58.08 O +ATOM 1464 N THR A 196 -27.450 87.222 76.727 1.00 22.40 N +ATOM 1465 CA THR A 196 -27.592 88.170 75.658 1.00 23.10 C +ATOM 1466 C THR A 196 -27.342 87.616 74.246 1.00 20.94 C +ATOM 1467 O THR A 196 -27.833 88.195 73.258 1.00 25.08 O +ATOM 1468 CB THR A 196 -26.605 89.345 75.781 1.00 23.84 C +ATOM 1469 OG1 THR A 196 -25.251 88.896 75.802 1.00 22.63 O +ATOM 1470 CG2 THR A 196 -26.871 90.145 77.100 1.00 26.47 C +ATOM 1471 N GLY A 197 -26.559 86.542 74.225 1.00 21.87 N +ATOM 1472 CA GLY A 197 -26.115 85.967 72.990 1.00 22.80 C +ATOM 1473 C GLY A 197 -24.769 86.505 72.541 1.00 23.36 C +ATOM 1474 O GLY A 197 -24.285 86.097 71.456 1.00 22.62 O +ATOM 1475 N PHE A 198 -24.132 87.373 73.349 1.00 19.97 N +ATOM 1476 CA PHE A 198 -22.902 88.031 72.959 1.00 19.48 C +ATOM 1477 C PHE A 198 -21.786 87.397 73.649 1.00 19.35 C +ATOM 1478 O PHE A 198 -21.780 87.267 74.860 1.00 19.50 O +ATOM 1479 CB PHE A 198 -22.936 89.545 73.336 1.00 19.07 C +ATOM 1480 CG PHE A 198 -21.719 90.330 72.885 1.00 19.26 C +ATOM 1481 CD1 PHE A 198 -21.338 90.308 71.519 1.00 20.85 C +ATOM 1482 CD2 PHE A 198 -20.970 91.084 73.772 1.00 20.66 C +ATOM 1483 CE1 PHE A 198 -20.226 91.030 71.082 1.00 22.79 C +ATOM 1484 CE2 PHE A 198 -19.835 91.809 73.313 1.00 20.98 C +ATOM 1485 CZ PHE A 198 -19.505 91.765 71.993 1.00 22.08 C +ATOM 1486 N ASN A 199 -20.748 86.934 72.898 1.00 17.86 N +ATOM 1487 CA ASN A 199 -19.564 86.384 73.466 1.00 15.68 C +ATOM 1488 C ASN A 199 -18.308 87.096 72.893 1.00 15.33 C +ATOM 1489 O ASN A 199 -18.296 87.594 71.729 1.00 18.82 O +ATOM 1490 CB ASN A 199 -19.393 84.896 73.039 1.00 18.55 C +ATOM 1491 CG ASN A 199 -20.231 83.989 73.884 1.00 26.40 C +ATOM 1492 OD1 ASN A 199 -19.738 83.421 74.855 1.00 40.67 O +ATOM 1493 ND2 ASN A 199 -21.471 83.996 73.643 1.00 32.78 N +ATOM 1494 N VAL A 200 -17.312 87.208 73.722 1.00 15.56 N +ATOM 1495 CA VAL A 200 -16.001 87.654 73.282 1.00 17.76 C +ATOM 1496 C VAL A 200 -14.938 86.643 73.669 1.00 19.72 C +ATOM 1497 O VAL A 200 -15.086 85.903 74.641 1.00 17.93 O +ATOM 1498 CB VAL A 200 -15.624 89.064 73.871 1.00 17.82 C +ATOM 1499 CG1 VAL A 200 -16.607 90.058 73.338 1.00 17.78 C +ATOM 1500 CG2 VAL A 200 -15.567 89.024 75.371 1.00 18.88 C +ATOM 1501 N GLY A 201 -13.837 86.658 72.930 1.00 17.50 N +ATOM 1502 CA GLY A 201 -12.711 85.766 73.214 1.00 17.89 C +ATOM 1503 C GLY A 201 -11.379 86.340 72.802 1.00 16.45 C +ATOM 1504 O GLY A 201 -11.285 87.191 71.875 1.00 16.15 O +ATOM 1505 N ALA A 202 -10.366 85.846 73.465 1.00 16.18 N +ATOM 1506 CA ALA A 202 -8.979 86.267 73.221 1.00 17.02 C +ATOM 1507 C ALA A 202 -8.030 85.160 73.605 1.00 17.19 C +ATOM 1508 O ALA A 202 -8.355 84.376 74.496 1.00 17.52 O +ATOM 1509 CB ALA A 202 -8.623 87.525 73.910 1.00 17.26 C +ATOM 1510 N GLY A 203 -6.893 85.099 72.932 1.00 15.67 N +ATOM 1511 CA GLY A 203 -5.872 84.189 73.338 1.00 17.74 C +ATOM 1512 C GLY A 203 -4.501 84.473 72.760 1.00 16.86 C +ATOM 1513 O GLY A 203 -4.340 85.344 71.878 1.00 16.51 O +ATOM 1514 N TYR A 204 -3.505 83.719 73.213 1.00 17.72 N +ATOM 1515 CA TYR A 204 -2.146 83.932 72.776 1.00 18.58 C +ATOM 1516 C TYR A 204 -1.435 82.559 72.835 1.00 17.50 C +ATOM 1517 O TYR A 204 -1.790 81.707 73.644 1.00 15.88 O +ATOM 1518 CB TYR A 204 -1.459 84.963 73.738 1.00 21.25 C +ATOM 1519 CG TYR A 204 -0.044 85.203 73.470 1.00 29.45 C +ATOM 1520 CD1 TYR A 204 0.377 85.910 72.311 1.00 32.94 C +ATOM 1521 CD2 TYR A 204 0.935 84.715 74.328 1.00 34.85 C +ATOM 1522 CE1 TYR A 204 1.768 86.073 71.990 1.00 33.89 C +ATOM 1523 CE2 TYR A 204 2.314 84.881 74.022 1.00 37.50 C +ATOM 1524 CZ TYR A 204 2.720 85.570 72.863 1.00 37.63 C +ATOM 1525 OH TYR A 204 4.084 85.769 72.617 1.00 44.32 O +ATOM 1526 N ALA A 205 -0.385 82.446 72.060 1.00 17.21 N +ATOM 1527 CA ALA A 205 0.465 81.276 72.097 1.00 17.26 C +ATOM 1528 C ALA A 205 1.853 81.635 71.668 1.00 16.09 C +ATOM 1529 O ALA A 205 2.070 82.571 70.889 1.00 17.80 O +ATOM 1530 CB ALA A 205 -0.097 80.167 71.229 1.00 18.65 C +ATOM 1531 N ASP A 206 2.833 80.904 72.223 1.00 17.25 N +ATOM 1532 CA ASP A 206 4.199 81.047 71.844 1.00 19.48 C +ATOM 1533 C ASP A 206 4.933 79.706 71.841 1.00 19.68 C +ATOM 1534 O ASP A 206 4.764 78.945 72.757 1.00 19.06 O +ATOM 1535 CB ASP A 206 4.867 81.961 72.886 1.00 21.87 C +ATOM 1536 CG ASP A 206 6.280 82.299 72.521 1.00 26.56 C +ATOM 1537 OD1 ASP A 206 6.529 83.275 71.740 1.00 27.09 O +ATOM 1538 OD2 ASP A 206 7.180 81.576 72.978 1.00 32.02 O +ATOM 1539 N GLN A 207 5.733 79.476 70.804 1.00 18.28 N +ATOM 1540 CA GLN A 207 6.490 78.226 70.678 1.00 19.15 C +ATOM 1541 C GLN A 207 7.713 78.445 69.772 1.00 19.87 C +ATOM 1542 O GLN A 207 7.589 78.601 68.537 1.00 20.25 O +ATOM 1543 CB GLN A 207 5.578 77.096 70.112 1.00 19.11 C +ATOM 1544 CG GLN A 207 6.330 75.763 70.046 1.00 20.05 C +ATOM 1545 CD GLN A 207 5.479 74.657 69.431 1.00 22.72 C +ATOM 1546 OE1 GLN A 207 4.257 74.640 69.568 1.00 21.23 O +ATOM 1547 NE2 GLN A 207 6.166 73.695 68.774 1.00 18.76 N +ATOM 1548 N ASP A 208 8.849 78.462 70.428 1.00 23.83 N +ATOM 1549 CA ASP A 208 10.156 78.806 69.764 1.00 26.07 C +ATOM 1550 C ASP A 208 10.065 80.083 68.928 1.00 25.79 C +ATOM 1551 O ASP A 208 9.824 81.154 69.478 1.00 26.82 O +ATOM 1552 CB ASP A 208 10.658 77.594 68.990 1.00 27.06 C +ATOM 1553 CG ASP A 208 12.180 77.732 68.613 1.00 31.43 C +ATOM 1554 OD1 ASP A 208 12.959 78.211 69.450 1.00 35.80 O +ATOM 1555 OD2 ASP A 208 12.510 77.379 67.505 1.00 36.30 O +ATOM 1556 N ASP A 209 10.139 79.974 67.604 1.00 24.38 N +ATOM 1557 CA ASP A 209 10.155 81.201 66.751 1.00 28.19 C +ATOM 1558 C ASP A 209 8.758 81.535 66.246 1.00 23.66 C +ATOM 1559 O ASP A 209 8.608 82.335 65.306 1.00 26.59 O +ATOM 1560 CB ASP A 209 11.136 81.004 65.570 1.00 31.55 C +ATOM 1561 CG ASP A 209 10.793 79.838 64.718 1.00 32.40 C +ATOM 1562 OD1 ASP A 209 10.097 78.874 65.198 1.00 34.66 O +ATOM 1563 OD2 ASP A 209 11.307 79.796 63.570 1.00 42.31 O +ATOM 1564 N GLN A 210 7.745 80.893 66.821 1.00 20.69 N +ATOM 1565 CA GLN A 210 6.367 81.101 66.395 1.00 19.13 C +ATOM 1566 C GLN A 210 5.624 81.742 67.529 1.00 19.70 C +ATOM 1567 O GLN A 210 5.836 81.450 68.690 1.00 19.36 O +ATOM 1568 CB GLN A 210 5.622 79.785 66.065 1.00 22.55 C +ATOM 1569 CG GLN A 210 6.303 78.900 65.020 1.00 26.20 C +ATOM 1570 CD GLN A 210 5.610 77.506 64.983 1.00 26.71 C +ATOM 1571 OE1 GLN A 210 6.029 76.523 65.670 1.00 37.13 O +ATOM 1572 NE2 GLN A 210 4.535 77.461 64.350 1.00 25.74 N +ATOM 1573 N ASN A 211 4.712 82.623 67.184 1.00 19.29 N +ATOM 1574 CA ASN A 211 3.855 83.249 68.204 1.00 19.57 C +ATOM 1575 C ASN A 211 2.605 83.817 67.550 1.00 18.85 C +ATOM 1576 O ASN A 211 2.587 84.063 66.365 1.00 19.44 O +ATOM 1577 CB ASN A 211 4.576 84.347 68.982 1.00 20.18 C +ATOM 1578 CG ASN A 211 5.149 85.425 68.093 1.00 22.30 C +ATOM 1579 OD1 ASN A 211 4.424 86.246 67.537 1.00 23.70 O +ATOM 1580 ND2 ASN A 211 6.455 85.341 67.836 1.00 24.15 N +ATOM 1581 N GLU A 212 1.541 83.990 68.301 1.00 18.42 N +ATOM 1582 CA GLU A 212 0.332 84.595 67.752 1.00 17.20 C +ATOM 1583 C GLU A 212 -0.606 85.009 68.873 1.00 16.90 C +ATOM 1584 O GLU A 212 -0.565 84.452 70.010 1.00 17.29 O +ATOM 1585 CB GLU A 212 -0.425 83.664 66.827 1.00 17.60 C +ATOM 1586 CG GLU A 212 -1.019 82.432 67.519 1.00 17.06 C +ATOM 1587 CD GLU A 212 -1.548 81.449 66.525 1.00 18.39 C +ATOM 1588 OE1 GLU A 212 -1.994 81.856 65.430 1.00 18.98 O +ATOM 1589 OE2 GLU A 212 -1.596 80.239 66.866 1.00 19.63 O +ATOM 1590 N TYR A 213 -1.436 85.974 68.540 1.00 18.05 N +ATOM 1591 CA TYR A 213 -2.621 86.257 69.326 1.00 17.24 C +ATOM 1592 C TYR A 213 -3.859 86.230 68.498 1.00 15.54 C +ATOM 1593 O TYR A 213 -3.824 86.387 67.269 1.00 16.84 O +ATOM 1594 CB TYR A 213 -2.495 87.559 70.141 1.00 19.87 C +ATOM 1595 CG TYR A 213 -2.630 88.815 69.336 1.00 19.42 C +ATOM 1596 CD1 TYR A 213 -3.872 89.408 69.128 1.00 19.14 C +ATOM 1597 CD2 TYR A 213 -1.526 89.457 68.890 1.00 20.78 C +ATOM 1598 CE1 TYR A 213 -4.010 90.545 68.347 1.00 19.50 C +ATOM 1599 CE2 TYR A 213 -1.661 90.598 68.155 1.00 19.69 C +ATOM 1600 CZ TYR A 213 -2.888 91.146 67.901 1.00 20.48 C +ATOM 1601 OH TYR A 213 -2.987 92.346 67.161 1.00 21.60 O +ATOM 1602 N MET A 214 -5.007 86.015 69.140 1.00 14.29 N +ATOM 1603 CA MET A 214 -6.270 86.025 68.526 1.00 14.41 C +ATOM 1604 C MET A 214 -7.311 86.838 69.327 1.00 15.13 C +ATOM 1605 O MET A 214 -7.202 86.836 70.552 1.00 16.56 O +ATOM 1606 CB MET A 214 -6.862 84.612 68.304 1.00 16.40 C +ATOM 1607 CG MET A 214 -6.097 83.822 67.312 1.00 18.14 C +ATOM 1608 SD MET A 214 -6.829 82.159 67.134 1.00 17.58 S +ATOM 1609 CE MET A 214 -5.704 81.568 65.853 1.00 17.93 C +ATOM 1610 N LEU A 215 -8.227 87.473 68.589 1.00 16.48 N +ATOM 1611 CA LEU A 215 -9.381 88.179 69.162 1.00 16.21 C +ATOM 1612 C LEU A 215 -10.584 87.834 68.386 1.00 15.89 C +ATOM 1613 O LEU A 215 -10.542 87.723 67.177 1.00 18.52 O +ATOM 1614 CB LEU A 215 -9.186 89.732 69.040 1.00 17.47 C +ATOM 1615 CG LEU A 215 -7.974 90.276 69.688 1.00 17.94 C +ATOM 1616 CD1 LEU A 215 -7.738 91.748 69.281 1.00 19.05 C +ATOM 1617 CD2 LEU A 215 -8.039 90.187 71.172 1.00 20.20 C +ATOM 1618 N ALA A 216 -11.715 87.600 69.096 1.00 15.59 N +ATOM 1619 CA ALA A 216 -12.930 87.244 68.493 1.00 15.41 C +ATOM 1620 C ALA A 216 -14.141 87.774 69.212 1.00 16.15 C +ATOM 1621 O ALA A 216 -14.070 87.963 70.424 1.00 16.88 O +ATOM 1622 CB ALA A 216 -13.078 85.683 68.395 1.00 18.20 C +ATOM 1623 N ALA A 217 -15.207 87.861 68.487 1.00 15.90 N +ATOM 1624 CA ALA A 217 -16.497 88.156 69.023 1.00 16.74 C +ATOM 1625 C ALA A 217 -17.577 87.491 68.242 1.00 17.13 C +ATOM 1626 O ALA A 217 -17.487 87.315 67.021 1.00 17.33 O +ATOM 1627 CB ALA A 217 -16.686 89.695 69.068 1.00 17.15 C +ATOM 1628 N SER A 218 -18.696 87.225 68.890 1.00 17.75 N +ATOM 1629 CA SER A 218 -19.864 86.670 68.190 1.00 17.09 C +ATOM 1630 C SER A 218 -21.184 87.111 68.778 1.00 16.40 C +ATOM 1631 O SER A 218 -21.229 87.450 69.959 1.00 17.48 O +ATOM 1632 CB SER A 218 -19.794 85.116 68.242 1.00 18.36 C +ATOM 1633 OG SER A 218 -19.849 84.600 69.593 1.00 18.96 O +ATOM 1634 N TYR A 219 -22.216 87.075 67.987 1.00 20.29 N +ATOM 1635 CA TYR A 219 -23.522 87.430 68.472 1.00 22.49 C +ATOM 1636 C TYR A 219 -24.502 86.444 67.903 1.00 22.28 C +ATOM 1637 O TYR A 219 -24.583 86.292 66.665 1.00 22.24 O +ATOM 1638 CB TYR A 219 -23.818 88.870 68.058 1.00 23.57 C +ATOM 1639 CG TYR A 219 -25.129 89.401 68.655 1.00 24.82 C +ATOM 1640 CD1 TYR A 219 -25.320 89.405 69.998 1.00 27.01 C +ATOM 1641 CD2 TYR A 219 -26.148 89.846 67.840 1.00 30.93 C +ATOM 1642 CE1 TYR A 219 -26.524 89.898 70.557 1.00 27.56 C +ATOM 1643 CE2 TYR A 219 -27.358 90.320 68.380 1.00 31.72 C +ATOM 1644 CZ TYR A 219 -27.511 90.328 69.731 1.00 28.86 C +ATOM 1645 OH TYR A 219 -28.643 90.829 70.316 1.00 33.32 O +ATOM 1646 N ARG A 220 -25.215 85.781 68.780 1.00 22.99 N +ATOM 1647 CA ARG A 220 -26.179 84.675 68.433 1.00 26.61 C +ATOM 1648 C ARG A 220 -27.590 85.223 68.802 1.00 31.42 C +ATOM 1649 O ARG A 220 -27.820 85.626 69.975 1.00 29.06 O +ATOM 1650 CB ARG A 220 -25.863 83.383 69.198 1.00 30.82 C +ATOM 1651 CG ARG A 220 -26.786 82.179 69.031 1.00 40.01 C +ATOM 1652 CD ARG A 220 -26.762 81.548 67.638 1.00 50.27 C +ATOM 1653 NE ARG A 220 -27.630 80.327 67.529 1.00 58.00 N +ATOM 1654 CZ ARG A 220 -28.176 79.814 66.411 1.00 45.99 C +ATOM 1655 NH1 ARG A 220 -28.003 80.348 65.171 1.00 41.89 N +ATOM 1656 NH2 ARG A 220 -28.908 78.713 66.549 1.00 45.03 N +ATOM 1657 N MET A 221 -28.486 85.284 67.827 1.00 34.23 N +ATOM 1658 CA MET A 221 -29.914 85.559 68.075 1.00 40.60 C +ATOM 1659 C MET A 221 -30.588 84.238 67.831 1.00 47.38 C +ATOM 1660 O MET A 221 -29.903 83.187 67.716 1.00 44.42 O +ATOM 1661 CB MET A 221 -30.431 86.599 67.126 1.00 41.37 C +ATOM 1662 CG MET A 221 -29.666 87.891 67.222 1.00 45.52 C +ATOM 1663 SD MET A 221 -29.879 88.875 65.739 1.00 50.40 S +ATOM 1664 CE MET A 221 -28.225 89.371 65.299 1.00 57.91 C +ATOM 1665 N GLU A 222 -31.903 84.232 67.720 1.00 43.45 N +ATOM 1666 CA GLU A 222 -32.627 82.936 67.735 1.00 49.25 C +ATOM 1667 C GLU A 222 -32.303 82.007 66.556 1.00 41.87 C +ATOM 1668 O GLU A 222 -32.029 80.823 66.740 1.00 42.62 O +ATOM 1669 CB GLU A 222 -34.138 83.187 67.844 1.00 61.35 C +ATOM 1670 CG GLU A 222 -34.566 83.762 69.204 1.00 73.33 C +ATOM 1671 CD GLU A 222 -34.336 82.809 70.389 1.00 84.64 C +ATOM 1672 OE1 GLU A 222 -34.265 81.573 70.177 1.00 97.22 O +ATOM 1673 OE2 GLU A 222 -34.227 83.294 71.545 1.00 87.73 O +ATOM 1674 N ASN A 223 -32.268 82.551 65.359 1.00 34.54 N +ATOM 1675 CA ASN A 223 -31.881 81.780 64.162 1.00 34.67 C +ATOM 1676 C ASN A 223 -30.770 82.379 63.362 1.00 25.74 C +ATOM 1677 O ASN A 223 -30.604 82.030 62.147 1.00 24.64 O +ATOM 1678 CB ASN A 223 -33.099 81.714 63.210 1.00 34.59 C +ATOM 1679 CG ASN A 223 -34.214 80.993 63.828 1.00 45.57 C +ATOM 1680 OD1 ASN A 223 -35.277 81.578 64.072 1.00 62.86 O +ATOM 1681 ND2 ASN A 223 -33.967 79.730 64.195 1.00 42.22 N +ATOM 1682 N LEU A 224 -30.063 83.358 63.916 1.00 24.45 N +ATOM 1683 CA LEU A 224 -29.008 84.038 63.181 1.00 23.04 C +ATOM 1684 C LEU A 224 -27.734 84.067 64.042 1.00 23.04 C +ATOM 1685 O LEU A 224 -27.794 84.096 65.280 1.00 22.92 O +ATOM 1686 CB LEU A 224 -29.330 85.518 62.828 1.00 27.18 C +ATOM 1687 CG LEU A 224 -30.332 85.760 61.710 1.00 32.80 C +ATOM 1688 CD1 LEU A 224 -30.755 87.248 61.765 1.00 35.28 C +ATOM 1689 CD2 LEU A 224 -29.774 85.509 60.340 1.00 37.03 C +ATOM 1690 N TYR A 225 -26.601 84.077 63.364 1.00 20.91 N +ATOM 1691 CA TYR A 225 -25.303 84.086 64.075 1.00 18.37 C +ATOM 1692 C TYR A 225 -24.337 84.908 63.271 1.00 17.99 C +ATOM 1693 O TYR A 225 -24.275 84.762 62.014 1.00 20.42 O +ATOM 1694 CB TYR A 225 -24.794 82.649 64.220 1.00 20.17 C +ATOM 1695 CG TYR A 225 -23.409 82.549 64.882 1.00 17.62 C +ATOM 1696 CD1 TYR A 225 -23.256 82.499 66.268 1.00 19.94 C +ATOM 1697 CD2 TYR A 225 -22.237 82.457 64.110 1.00 17.53 C +ATOM 1698 CE1 TYR A 225 -22.001 82.412 66.890 1.00 18.76 C +ATOM 1699 CE2 TYR A 225 -20.995 82.357 64.728 1.00 17.17 C +ATOM 1700 CZ TYR A 225 -20.850 82.303 66.091 1.00 17.53 C +ATOM 1701 OH TYR A 225 -19.627 82.128 66.661 1.00 18.04 O +ATOM 1702 N PHE A 226 -23.555 85.749 63.950 1.00 18.39 N +ATOM 1703 CA PHE A 226 -22.524 86.541 63.338 1.00 19.15 C +ATOM 1704 C PHE A 226 -21.272 86.501 64.175 1.00 18.30 C +ATOM 1705 O PHE A 226 -21.337 86.556 65.371 1.00 19.21 O +ATOM 1706 CB PHE A 226 -22.959 88.060 63.205 1.00 23.11 C +ATOM 1707 CG PHE A 226 -24.233 88.233 62.438 1.00 26.82 C +ATOM 1708 CD1 PHE A 226 -24.225 88.206 61.044 1.00 33.35 C +ATOM 1709 CD2 PHE A 226 -25.454 88.292 63.124 1.00 30.22 C +ATOM 1710 CE1 PHE A 226 -25.411 88.340 60.337 1.00 37.48 C +ATOM 1711 CE2 PHE A 226 -26.648 88.386 62.413 1.00 35.37 C +ATOM 1712 CZ PHE A 226 -26.614 88.398 61.016 1.00 33.00 C +ATOM 1713 N ALA A 227 -20.121 86.492 63.555 1.00 16.90 N +ATOM 1714 CA ALA A 227 -18.846 86.470 64.276 1.00 15.92 C +ATOM 1715 C ALA A 227 -17.688 86.945 63.453 1.00 15.22 C +ATOM 1716 O ALA A 227 -17.767 86.943 62.227 1.00 16.96 O +ATOM 1717 CB ALA A 227 -18.569 85.022 64.743 1.00 16.95 C +ATOM 1718 N GLY A 228 -16.649 87.389 64.120 1.00 15.47 N +ATOM 1719 CA GLY A 228 -15.391 87.810 63.521 1.00 15.52 C +ATOM 1720 C GLY A 228 -14.255 87.311 64.372 1.00 16.76 C +ATOM 1721 O GLY A 228 -14.368 87.094 65.589 1.00 17.14 O +ATOM 1722 N LEU A 229 -13.121 87.099 63.723 1.00 17.06 N +ATOM 1723 CA LEU A 229 -11.869 86.588 64.322 1.00 16.35 C +ATOM 1724 C LEU A 229 -10.688 87.232 63.651 1.00 16.89 C +ATOM 1725 O LEU A 229 -10.686 87.381 62.393 1.00 19.56 O +ATOM 1726 CB LEU A 229 -11.824 85.057 64.031 1.00 16.45 C +ATOM 1727 CG LEU A 229 -10.536 84.367 64.390 1.00 17.23 C +ATOM 1728 CD1 LEU A 229 -10.351 84.292 65.910 1.00 18.14 C +ATOM 1729 CD2 LEU A 229 -10.547 82.959 63.696 1.00 17.66 C +ATOM 1730 N PHE A 230 -9.707 87.602 64.428 1.00 17.64 N +ATOM 1731 CA PHE A 230 -8.468 88.203 63.977 1.00 17.95 C +ATOM 1732 C PHE A 230 -7.335 87.471 64.592 1.00 17.87 C +ATOM 1733 O PHE A 230 -7.322 87.205 65.823 1.00 18.25 O +ATOM 1734 CB PHE A 230 -8.442 89.687 64.390 1.00 18.97 C +ATOM 1735 CG PHE A 230 -7.161 90.385 64.025 1.00 17.00 C +ATOM 1736 CD1 PHE A 230 -6.955 90.731 62.724 1.00 20.87 C +ATOM 1737 CD2 PHE A 230 -6.123 90.588 64.948 1.00 17.82 C +ATOM 1738 CE1 PHE A 230 -5.791 91.375 62.313 1.00 20.63 C +ATOM 1739 CE2 PHE A 230 -4.966 91.271 64.514 1.00 19.76 C +ATOM 1740 CZ PHE A 230 -4.789 91.606 63.214 1.00 20.36 C +ATOM 1741 N THR A 231 -6.319 87.146 63.764 1.00 16.15 N +ATOM 1742 CA THR A 231 -5.108 86.481 64.202 1.00 16.66 C +ATOM 1743 C THR A 231 -3.941 87.219 63.731 1.00 16.17 C +ATOM 1744 O THR A 231 -3.901 87.597 62.532 1.00 19.94 O +ATOM 1745 CB THR A 231 -5.035 85.063 63.588 1.00 17.33 C +ATOM 1746 OG1 THR A 231 -6.220 84.368 63.976 1.00 17.67 O +ATOM 1747 CG2 THR A 231 -3.820 84.335 64.000 1.00 18.56 C +ATOM 1748 N ASP A 232 -2.941 87.379 64.589 1.00 17.27 N +ATOM 1749 CA ASP A 232 -1.684 88.028 64.157 1.00 20.37 C +ATOM 1750 C ASP A 232 -0.523 87.432 64.870 1.00 18.70 C +ATOM 1751 O ASP A 232 -0.554 87.215 66.068 1.00 20.11 O +ATOM 1752 CB ASP A 232 -1.803 89.552 64.453 1.00 19.76 C +ATOM 1753 CG ASP A 232 -0.597 90.345 63.935 1.00 26.13 C +ATOM 1754 OD1 ASP A 232 -0.454 90.386 62.738 1.00 28.11 O +ATOM 1755 OD2 ASP A 232 0.242 90.846 64.682 1.00 32.23 O +ATOM 1756 N GLY A 233 0.579 87.216 64.160 1.00 20.26 N +ATOM 1757 CA GLY A 233 1.759 86.671 64.737 1.00 20.27 C +ATOM 1758 C GLY A 233 2.890 86.377 63.725 1.00 20.08 C +ATOM 1759 O GLY A 233 2.992 87.055 62.727 1.00 20.74 O +ATOM 1760 N GLU A 234 3.735 85.435 64.099 1.00 22.59 N +ATOM 1761 CA GLU A 234 4.882 85.063 63.289 1.00 23.61 C +ATOM 1762 C GLU A 234 4.859 83.562 63.164 1.00 23.25 C +ATOM 1763 O GLU A 234 4.648 82.905 64.155 1.00 21.20 O +ATOM 1764 CB GLU A 234 6.147 85.449 63.978 1.00 25.09 C +ATOM 1765 CG GLU A 234 6.304 86.933 64.118 1.00 30.80 C +ATOM 1766 CD GLU A 234 7.634 87.288 64.733 1.00 38.81 C +ATOM 1767 OE1 GLU A 234 7.867 86.950 65.897 1.00 35.59 O +ATOM 1768 OE2 GLU A 234 8.432 87.902 64.020 1.00 43.93 O +ATOM 1769 N LEU A 235 5.095 83.039 61.945 1.00 25.10 N +ATOM 1770 CA LEU A 235 5.163 81.587 61.738 1.00 27.68 C +ATOM 1771 C LEU A 235 6.613 81.118 61.737 1.00 29.79 C +ATOM 1772 O LEU A 235 6.831 79.895 61.861 1.00 30.81 O +ATOM 1773 CB LEU A 235 4.465 81.183 60.454 1.00 33.18 C +ATOM 1774 CG LEU A 235 2.939 81.422 60.479 1.00 30.77 C +ATOM 1775 CD1 LEU A 235 2.325 80.956 59.144 1.00 33.00 C +ATOM 1776 CD2 LEU A 235 2.272 80.770 61.685 1.00 33.51 C +ATOM 1777 N ALA A 236 7.544 82.071 61.647 1.00 32.34 N +ATOM 1778 CA ALA A 236 8.969 81.838 61.741 1.00 39.42 C +ATOM 1779 C ALA A 236 9.647 83.198 61.965 1.00 40.73 C +ATOM 1780 O ALA A 236 8.985 84.248 61.831 1.00 37.97 O +ATOM 1781 CB ALA A 236 9.445 81.197 60.442 1.00 35.71 C +ATOM 1782 N LYS A 237 10.934 83.211 62.344 1.00 41.99 N +ATOM 1783 CA LYS A 237 11.693 84.468 62.444 1.00 47.89 C +ATOM 1784 C LYS A 237 11.518 85.182 61.095 1.00 44.62 C +ATOM 1785 O LYS A 237 11.665 84.574 60.064 1.00 47.40 O +ATOM 1786 CB LYS A 237 13.185 84.212 62.781 1.00 54.00 C +ATOM 1787 CG LYS A 237 14.081 85.453 62.895 1.00 62.02 C +ATOM 1788 CD LYS A 237 14.192 86.031 64.318 1.00 67.75 C +ATOM 1789 CE LYS A 237 12.860 86.583 64.859 1.00 73.33 C +ATOM 1790 NZ LYS A 237 12.957 87.530 66.021 1.00 72.73 N +ATOM 1791 N ASP A 238 11.047 86.413 61.142 1.00 45.82 N +ATOM 1792 CA ASP A 238 10.782 87.230 59.952 1.00 52.16 C +ATOM 1793 C ASP A 238 9.761 86.697 58.923 1.00 53.75 C +ATOM 1794 O ASP A 238 9.838 87.054 57.747 1.00 58.09 O +ATOM 1795 CB ASP A 238 12.121 87.570 59.274 1.00 65.31 C +ATOM 1796 CG ASP A 238 13.110 88.217 60.234 1.00 70.49 C +ATOM 1797 OD1 ASP A 238 12.710 89.153 60.974 1.00 82.32 O +ATOM 1798 OD2 ASP A 238 14.284 87.791 60.249 1.00 76.15 O +ATOM 1799 N VAL A 239 8.816 85.849 59.353 1.00 41.97 N +ATOM 1800 CA VAL A 239 7.686 85.476 58.528 1.00 37.22 C +ATOM 1801 C VAL A 239 6.418 85.895 59.306 1.00 32.42 C +ATOM 1802 O VAL A 239 5.937 85.183 60.215 1.00 27.04 O +ATOM 1803 CB VAL A 239 7.668 83.975 58.273 1.00 39.57 C +ATOM 1804 CG1 VAL A 239 6.465 83.564 57.443 1.00 38.18 C +ATOM 1805 CG2 VAL A 239 8.987 83.558 57.571 1.00 45.81 C +ATOM 1806 N ASP A 240 5.877 87.030 58.926 1.00 28.83 N +ATOM 1807 CA ASP A 240 4.629 87.479 59.559 1.00 26.47 C +ATOM 1808 C ASP A 240 3.438 86.705 59.056 1.00 24.77 C +ATOM 1809 O ASP A 240 3.399 86.207 57.933 1.00 25.86 O +ATOM 1810 CB ASP A 240 4.419 88.975 59.336 1.00 26.95 C +ATOM 1811 CG ASP A 240 5.441 89.833 60.069 1.00 32.00 C +ATOM 1812 OD1 ASP A 240 6.025 89.450 61.082 1.00 34.25 O +ATOM 1813 OD2 ASP A 240 5.615 90.977 59.650 1.00 39.63 O +ATOM 1814 N TYR A 241 2.423 86.588 59.942 1.00 21.55 N +ATOM 1815 CA TYR A 241 1.145 86.083 59.554 1.00 18.89 C +ATOM 1816 C TYR A 241 0.050 86.924 60.172 1.00 22.14 C +ATOM 1817 O TYR A 241 0.126 87.309 61.331 1.00 21.34 O +ATOM 1818 CB TYR A 241 0.986 84.641 60.060 1.00 19.68 C +ATOM 1819 CG TYR A 241 -0.339 84.008 59.718 1.00 19.89 C +ATOM 1820 CD1 TYR A 241 -0.577 83.361 58.525 1.00 19.07 C +ATOM 1821 CD2 TYR A 241 -1.396 84.007 60.665 1.00 20.18 C +ATOM 1822 CE1 TYR A 241 -1.800 82.744 58.221 1.00 17.50 C +ATOM 1823 CE2 TYR A 241 -2.627 83.441 60.372 1.00 19.32 C +ATOM 1824 CZ TYR A 241 -2.853 82.809 59.164 1.00 19.00 C +ATOM 1825 OH TYR A 241 -4.011 82.197 58.919 1.00 18.03 O +ATOM 1826 N THR A 242 -0.939 87.237 59.354 1.00 20.62 N +ATOM 1827 CA THR A 242 -2.171 87.947 59.792 1.00 21.89 C +ATOM 1828 C THR A 242 -3.360 87.351 59.062 1.00 21.36 C +ATOM 1829 O THR A 242 -3.360 87.215 57.813 1.00 21.56 O +ATOM 1830 CB THR A 242 -2.098 89.477 59.500 1.00 23.80 C +ATOM 1831 OG1 THR A 242 -0.876 90.014 60.010 1.00 27.79 O +ATOM 1832 CG2 THR A 242 -3.232 90.137 60.187 1.00 24.18 C +ATOM 1833 N GLY A 243 -4.417 87.048 59.797 1.00 18.43 N +ATOM 1834 CA GLY A 243 -5.631 86.584 59.228 1.00 18.32 C +ATOM 1835 C GLY A 243 -6.871 87.154 59.795 1.00 17.85 C +ATOM 1836 O GLY A 243 -6.850 87.497 61.031 1.00 18.17 O +ATOM 1837 N TYR A 244 -7.892 87.249 58.969 1.00 19.25 N +ATOM 1838 CA TYR A 244 -9.212 87.786 59.346 1.00 21.41 C +ATOM 1839 C TYR A 244 -10.255 86.834 58.869 1.00 19.35 C +ATOM 1840 O TYR A 244 -10.247 86.400 57.724 1.00 18.32 O +ATOM 1841 CB TYR A 244 -9.601 89.170 58.630 1.00 29.44 C +ATOM 1842 CG TYR A 244 -8.611 90.290 58.656 1.00 42.99 C +ATOM 1843 CD1 TYR A 244 -7.587 90.383 57.713 1.00 48.35 C +ATOM 1844 CD2 TYR A 244 -8.777 91.388 59.575 1.00 51.54 C +ATOM 1845 CE1 TYR A 244 -6.680 91.482 57.733 1.00 58.22 C +ATOM 1846 CE2 TYR A 244 -7.890 92.496 59.592 1.00 54.24 C +ATOM 1847 CZ TYR A 244 -6.847 92.542 58.676 1.00 55.34 C +ATOM 1848 OH TYR A 244 -5.978 93.614 58.715 1.00 61.76 O +ATOM 1849 N GLU A 245 -11.254 86.536 59.688 1.00 16.54 N +ATOM 1850 CA GLU A 245 -12.414 85.833 59.296 1.00 15.67 C +ATOM 1851 C GLU A 245 -13.692 86.504 59.730 1.00 17.07 C +ATOM 1852 O GLU A 245 -13.770 86.998 60.863 1.00 17.63 O +ATOM 1853 CB GLU A 245 -12.386 84.388 59.830 1.00 16.16 C +ATOM 1854 CG GLU A 245 -11.091 83.604 59.468 1.00 16.16 C +ATOM 1855 CD GLU A 245 -11.229 82.102 59.717 1.00 17.18 C +ATOM 1856 OE1 GLU A 245 -12.121 81.698 60.496 1.00 17.38 O +ATOM 1857 OE2 GLU A 245 -10.407 81.363 59.099 1.00 18.85 O +ATOM 1858 N LEU A 246 -14.688 86.468 58.877 1.00 16.66 N +ATOM 1859 CA LEU A 246 -16.061 86.806 59.189 1.00 18.92 C +ATOM 1860 C LEU A 246 -16.935 85.626 58.936 1.00 19.39 C +ATOM 1861 O LEU A 246 -16.746 84.944 57.912 1.00 20.74 O +ATOM 1862 CB LEU A 246 -16.454 87.973 58.286 1.00 20.28 C +ATOM 1863 CG LEU A 246 -15.642 89.263 58.466 1.00 24.23 C +ATOM 1864 CD1 LEU A 246 -16.125 90.268 57.409 1.00 28.36 C +ATOM 1865 CD2 LEU A 246 -15.780 89.840 59.864 1.00 26.61 C +ATOM 1866 N ALA A 247 -17.942 85.416 59.755 1.00 16.40 N +ATOM 1867 CA ALA A 247 -18.901 84.314 59.615 1.00 18.46 C +ATOM 1868 C ALA A 247 -20.339 84.728 59.854 1.00 19.51 C +ATOM 1869 O ALA A 247 -20.586 85.581 60.758 1.00 21.21 O +ATOM 1870 CB ALA A 247 -18.558 83.204 60.599 1.00 19.07 C +ATOM 1871 N ALA A 248 -21.261 84.180 59.100 1.00 19.02 N +ATOM 1872 CA ALA A 248 -22.648 84.372 59.331 1.00 20.35 C +ATOM 1873 C ALA A 248 -23.385 83.095 59.167 1.00 21.17 C +ATOM 1874 O ALA A 248 -23.021 82.293 58.277 1.00 22.19 O +ATOM 1875 CB ALA A 248 -23.205 85.409 58.354 1.00 20.70 C +ATOM 1876 N GLY A 249 -24.359 82.855 60.024 1.00 18.39 N +ATOM 1877 CA GLY A 249 -25.190 81.689 59.926 1.00 19.55 C +ATOM 1878 C GLY A 249 -26.662 81.939 60.107 1.00 22.97 C +ATOM 1879 O GLY A 249 -27.057 82.861 60.841 1.00 21.81 O +ATOM 1880 N TYR A 250 -27.451 81.129 59.433 1.00 21.75 N +ATOM 1881 CA TYR A 250 -28.895 81.183 59.533 1.00 23.97 C +ATOM 1882 C TYR A 250 -29.480 79.797 59.618 1.00 24.76 C +ATOM 1883 O TYR A 250 -29.099 78.927 58.826 1.00 22.30 O +ATOM 1884 CB TYR A 250 -29.338 81.887 58.263 1.00 26.64 C +ATOM 1885 CG TYR A 250 -30.832 81.918 58.048 1.00 29.65 C +ATOM 1886 CD1 TYR A 250 -31.692 82.458 59.034 1.00 37.64 C +ATOM 1887 CD2 TYR A 250 -31.403 81.449 56.873 1.00 34.57 C +ATOM 1888 CE1 TYR A 250 -33.071 82.514 58.827 1.00 36.68 C +ATOM 1889 CE2 TYR A 250 -32.787 81.504 56.674 1.00 35.22 C +ATOM 1890 CZ TYR A 250 -33.594 82.033 57.655 1.00 37.20 C +ATOM 1891 OH TYR A 250 -34.948 82.058 57.469 1.00 45.55 O +ATOM 1892 N LYS A 251 -30.385 79.556 60.534 1.00 23.25 N +ATOM 1893 CA LYS A 251 -31.037 78.301 60.693 1.00 25.76 C +ATOM 1894 C LYS A 251 -32.528 78.436 60.299 1.00 29.74 C +ATOM 1895 O LYS A 251 -33.195 79.401 60.736 1.00 26.50 O +ATOM 1896 CB LYS A 251 -30.921 77.912 62.144 1.00 31.47 C +ATOM 1897 CG LYS A 251 -31.667 76.703 62.545 1.00 35.51 C +ATOM 1898 CD LYS A 251 -31.060 76.175 63.837 1.00 42.65 C +ATOM 1899 CE LYS A 251 -30.762 74.692 63.723 1.00 49.08 C +ATOM 1900 NZ LYS A 251 -30.393 74.093 65.037 1.00 51.76 N +ATOM 1901 N LEU A 252 -32.990 77.549 59.446 1.00 27.19 N +ATOM 1902 CA LEU A 252 -34.384 77.501 59.006 1.00 26.03 C +ATOM 1903 C LEU A 252 -34.855 76.055 59.085 1.00 27.25 C +ATOM 1904 O LEU A 252 -34.450 75.224 58.228 1.00 25.98 O +ATOM 1905 CB LEU A 252 -34.499 78.010 57.587 1.00 30.83 C +ATOM 1906 CG LEU A 252 -35.951 78.025 57.082 1.00 38.02 C +ATOM 1907 CD1 LEU A 252 -36.818 78.914 57.978 1.00 38.53 C +ATOM 1908 CD2 LEU A 252 -35.926 78.510 55.657 1.00 40.37 C +ATOM 1909 N GLY A 253 -35.662 75.740 60.075 1.00 26.99 N +ATOM 1910 CA GLY A 253 -36.173 74.360 60.292 1.00 27.23 C +ATOM 1911 C GLY A 253 -34.974 73.438 60.588 1.00 28.21 C +ATOM 1912 O GLY A 253 -34.145 73.742 61.492 1.00 29.24 O +ATOM 1913 N GLN A 254 -34.823 72.413 59.753 1.00 25.34 N +ATOM 1914 CA GLN A 254 -33.720 71.454 59.941 1.00 24.84 C +ATOM 1915 C GLN A 254 -32.442 71.822 59.179 1.00 23.71 C +ATOM 1916 O GLN A 254 -31.448 71.027 59.245 1.00 21.29 O +ATOM 1917 CB GLN A 254 -34.190 70.040 59.635 1.00 23.84 C +ATOM 1918 CG GLN A 254 -35.346 69.579 60.508 1.00 28.94 C +ATOM 1919 CD GLN A 254 -35.872 68.219 60.161 1.00 32.27 C +ATOM 1920 OE1 GLN A 254 -35.119 67.190 59.992 1.00 28.39 O +ATOM 1921 NE2 GLN A 254 -37.136 68.138 60.066 1.00 27.54 N +ATOM 1922 N ALA A 255 -32.419 72.943 58.492 1.00 22.07 N +ATOM 1923 CA ALA A 255 -31.317 73.362 57.719 1.00 21.46 C +ATOM 1924 C ALA A 255 -30.519 74.475 58.309 1.00 25.90 C +ATOM 1925 O ALA A 255 -31.086 75.414 58.917 1.00 24.94 O +ATOM 1926 CB ALA A 255 -31.762 73.718 56.342 1.00 24.95 C +ATOM 1927 N ALA A 256 -29.187 74.422 58.149 1.00 20.65 N +ATOM 1928 CA ALA A 256 -28.318 75.493 58.543 1.00 19.11 C +ATOM 1929 C ALA A 256 -27.541 75.983 57.339 1.00 20.22 C +ATOM 1930 O ALA A 256 -27.013 75.159 56.530 1.00 19.40 O +ATOM 1931 CB ALA A 256 -27.400 75.059 59.694 1.00 20.98 C +ATOM 1932 N PHE A 257 -27.509 77.299 57.140 1.00 17.49 N +ATOM 1933 CA PHE A 257 -26.816 77.936 56.053 1.00 18.47 C +ATOM 1934 C PHE A 257 -25.740 78.823 56.618 1.00 20.47 C +ATOM 1935 O PHE A 257 -25.966 79.595 57.596 1.00 20.78 O +ATOM 1936 CB PHE A 257 -27.781 78.802 55.174 1.00 20.52 C +ATOM 1937 CG PHE A 257 -28.946 78.047 54.703 1.00 20.59 C +ATOM 1938 CD1 PHE A 257 -30.079 77.937 55.475 1.00 20.90 C +ATOM 1939 CD2 PHE A 257 -28.902 77.405 53.447 1.00 22.38 C +ATOM 1940 CE1 PHE A 257 -31.188 77.182 54.996 1.00 23.95 C +ATOM 1941 CE2 PHE A 257 -29.993 76.647 53.000 1.00 23.71 C +ATOM 1942 CZ PHE A 257 -31.096 76.525 53.778 1.00 22.36 C +ATOM 1943 N THR A 258 -24.555 78.727 56.052 1.00 17.62 N +ATOM 1944 CA THR A 258 -23.460 79.564 56.497 1.00 17.24 C +ATOM 1945 C THR A 258 -22.655 80.159 55.408 1.00 17.33 C +ATOM 1946 O THR A 258 -22.626 79.675 54.232 1.00 18.42 O +ATOM 1947 CB THR A 258 -22.517 78.887 57.550 1.00 17.61 C +ATOM 1948 OG1 THR A 258 -21.592 78.053 56.846 1.00 21.62 O +ATOM 1949 CG2 THR A 258 -23.201 78.108 58.574 1.00 18.12 C +ATOM 1950 N ALA A 259 -22.069 81.331 55.692 1.00 16.59 N +ATOM 1951 CA ALA A 259 -21.137 81.994 54.825 1.00 18.42 C +ATOM 1952 C ALA A 259 -19.979 82.489 55.576 1.00 20.27 C +ATOM 1953 O ALA A 259 -20.121 82.987 56.709 1.00 21.39 O +ATOM 1954 CB ALA A 259 -21.848 83.196 54.090 1.00 20.19 C +ATOM 1955 N THR A 260 -18.783 82.373 55.026 1.00 17.80 N +ATOM 1956 CA THR A 260 -17.575 82.902 55.634 1.00 18.33 C +ATOM 1957 C THR A 260 -16.743 83.633 54.634 1.00 18.68 C +ATOM 1958 O THR A 260 -16.677 83.260 53.419 1.00 18.77 O +ATOM 1959 CB THR A 260 -16.685 81.838 56.356 1.00 18.34 C +ATOM 1960 OG1 THR A 260 -16.245 80.934 55.319 1.00 18.34 O +ATOM 1961 CG2 THR A 260 -17.470 81.084 57.463 1.00 17.56 C +ATOM 1962 N TYR A 261 -16.023 84.628 55.130 1.00 17.45 N +ATOM 1963 CA TYR A 261 -14.921 85.263 54.431 1.00 17.26 C +ATOM 1964 C TYR A 261 -13.675 85.095 55.185 1.00 17.47 C +ATOM 1965 O TYR A 261 -13.644 85.344 56.415 1.00 17.57 O +ATOM 1966 CB TYR A 261 -15.192 86.813 54.197 1.00 19.56 C +ATOM 1967 CG TYR A 261 -14.018 87.452 53.442 1.00 20.15 C +ATOM 1968 CD1 TYR A 261 -13.722 87.064 52.142 1.00 20.87 C +ATOM 1969 CD2 TYR A 261 -13.209 88.436 53.988 1.00 22.35 C +ATOM 1970 CE1 TYR A 261 -12.650 87.538 51.459 1.00 23.28 C +ATOM 1971 CE2 TYR A 261 -12.116 88.960 53.272 1.00 23.59 C +ATOM 1972 CZ TYR A 261 -11.847 88.503 52.000 1.00 21.74 C +ATOM 1973 OH TYR A 261 -10.742 88.931 51.278 1.00 28.48 O +ATOM 1974 N ASN A 262 -12.599 84.654 54.541 1.00 16.83 N +ATOM 1975 CA ASN A 262 -11.339 84.344 55.181 1.00 17.07 C +ATOM 1976 C ASN A 262 -10.264 84.952 54.350 1.00 18.06 C +ATOM 1977 O ASN A 262 -10.229 84.701 53.157 1.00 19.90 O +ATOM 1978 CB ASN A 262 -11.082 82.797 55.224 1.00 16.65 C +ATOM 1979 CG ASN A 262 -12.050 81.976 56.100 1.00 17.77 C +ATOM 1980 OD1 ASN A 262 -11.862 80.723 56.025 1.00 17.97 O +ATOM 1981 ND2 ASN A 262 -13.073 82.513 56.804 1.00 18.64 N +ATOM 1982 N ASN A 263 -9.386 85.738 54.958 1.00 17.42 N +ATOM 1983 CA ASN A 263 -8.271 86.393 54.320 1.00 17.71 C +ATOM 1984 C ASN A 263 -7.072 86.310 55.162 1.00 17.75 C +ATOM 1985 O ASN A 263 -7.047 86.778 56.324 1.00 19.31 O +ATOM 1986 CB ASN A 263 -8.662 87.879 54.046 1.00 18.92 C +ATOM 1987 CG ASN A 263 -7.636 88.604 53.220 1.00 23.30 C +ATOM 1988 OD1 ASN A 263 -6.465 88.736 53.615 1.00 27.16 O +ATOM 1989 ND2 ASN A 263 -8.062 89.080 52.079 1.00 27.79 N +ATOM 1990 N ALA A 264 -6.002 85.698 54.663 1.00 19.07 N +ATOM 1991 CA ALA A 264 -4.723 85.645 55.354 1.00 18.96 C +ATOM 1992 C ALA A 264 -3.603 86.143 54.506 1.00 19.18 C +ATOM 1993 O ALA A 264 -3.638 85.927 53.301 1.00 20.62 O +ATOM 1994 CB ALA A 264 -4.357 84.165 55.769 1.00 19.62 C +ATOM 1995 N GLU A 265 -2.609 86.719 55.147 1.00 21.83 N +ATOM 1996 CA GLU A 265 -1.324 87.139 54.574 1.00 24.64 C +ATOM 1997 C GLU A 265 -0.172 86.498 55.276 1.00 27.26 C +ATOM 1998 O GLU A 265 -0.064 86.573 56.507 1.00 22.82 O +ATOM 1999 CB GLU A 265 -1.174 88.662 54.688 1.00 28.99 C +ATOM 2000 CG GLU A 265 -2.084 89.363 53.748 1.00 35.93 C +ATOM 2001 CD GLU A 265 -1.968 90.882 53.842 1.00 41.69 C +ATOM 2002 OE1 GLU A 265 -0.919 91.386 54.345 1.00 42.32 O +ATOM 2003 OE2 GLU A 265 -2.951 91.524 53.377 1.00 39.75 O +ATOM 2004 N THR A 266 0.758 85.916 54.508 1.00 23.27 N +ATOM 2005 CA THR A 266 1.919 85.336 55.046 1.00 28.27 C +ATOM 2006 C THR A 266 3.116 86.056 54.454 1.00 31.00 C +ATOM 2007 O THR A 266 3.184 86.189 53.248 1.00 29.02 O +ATOM 2008 CB THR A 266 1.961 83.845 54.706 1.00 28.02 C +ATOM 2009 OG1 THR A 266 0.778 83.212 55.202 1.00 26.51 O +ATOM 2010 CG2 THR A 266 3.165 83.154 55.367 1.00 26.95 C +ATOM 2011 N ALA A 267 4.041 86.509 55.280 1.00 31.04 N +ATOM 2012 CA ALA A 267 5.140 87.368 54.802 1.00 36.15 C +ATOM 2013 C ALA A 267 4.657 88.523 53.911 1.00 39.22 C +ATOM 2014 O ALA A 267 5.257 88.793 52.882 1.00 42.19 O +ATOM 2015 CB ALA A 267 6.199 86.528 54.079 1.00 37.17 C +ATOM 2016 N LYS A 268 3.586 89.190 54.335 1.00 37.25 N +ATOM 2017 CA LYS A 268 2.895 90.323 53.641 1.00 36.81 C +ATOM 2018 C LYS A 268 2.417 90.073 52.235 1.00 38.79 C +ATOM 2019 O LYS A 268 2.208 91.019 51.478 1.00 43.12 O +ATOM 2020 CB LYS A 268 3.741 91.628 53.627 1.00 42.65 C +ATOM 2021 CG LYS A 268 4.285 92.037 54.979 1.00 48.58 C +ATOM 2022 CD LYS A 268 3.216 92.738 55.826 1.00 56.80 C +ATOM 2023 CE LYS A 268 3.583 92.698 57.305 1.00 63.31 C +ATOM 2024 NZ LYS A 268 5.029 93.022 57.533 1.00 67.86 N +ATOM 2025 N LYS A 269 2.214 88.822 51.864 1.00 33.94 N +ATOM 2026 CA LYS A 269 1.554 88.483 50.640 1.00 32.64 C +ATOM 2027 C LYS A 269 0.319 87.649 50.993 1.00 29.52 C +ATOM 2028 O LYS A 269 0.394 86.762 51.799 1.00 29.62 O +ATOM 2029 CB LYS A 269 2.506 87.651 49.814 1.00 39.97 C +ATOM 2030 CG LYS A 269 1.934 86.927 48.624 1.00 54.28 C +ATOM 2031 CD LYS A 269 3.015 86.744 47.555 1.00 61.76 C +ATOM 2032 CE LYS A 269 3.004 85.380 46.893 1.00 61.50 C +ATOM 2033 NZ LYS A 269 4.389 85.122 46.405 1.00 70.85 N +ATOM 2034 N THR A 270 -0.759 87.881 50.275 1.00 27.09 N +ATOM 2035 CA THR A 270 -1.984 87.144 50.470 1.00 26.24 C +ATOM 2036 C THR A 270 -1.743 85.659 50.206 1.00 29.08 C +ATOM 2037 O THR A 270 -1.255 85.273 49.165 1.00 28.92 O +ATOM 2038 CB THR A 270 -3.071 87.669 49.546 1.00 27.07 C +ATOM 2039 OG1 THR A 270 -3.179 89.073 49.760 1.00 28.48 O +ATOM 2040 CG2 THR A 270 -4.449 87.036 49.845 1.00 24.49 C +ATOM 2041 N SER A 271 -2.058 84.838 51.211 1.00 25.63 N +ATOM 2042 CA SER A 271 -1.948 83.371 51.108 1.00 24.45 C +ATOM 2043 C SER A 271 -3.288 82.622 51.111 1.00 24.04 C +ATOM 2044 O SER A 271 -3.358 81.418 50.753 1.00 24.90 O +ATOM 2045 CB SER A 271 -1.006 82.863 52.199 1.00 26.07 C +ATOM 2046 OG SER A 271 -1.409 83.324 53.528 1.00 24.67 O +ATOM 2047 N ALA A 272 -4.365 83.296 51.553 1.00 19.38 N +ATOM 2048 CA ALA A 272 -5.717 82.779 51.484 1.00 20.66 C +ATOM 2049 C ALA A 272 -6.666 83.928 51.269 1.00 21.76 C +ATOM 2050 O ALA A 272 -6.544 84.975 51.945 1.00 21.52 O +ATOM 2051 CB ALA A 272 -6.083 82.034 52.782 1.00 21.31 C +ATOM 2052 N ASP A 273 -7.638 83.736 50.379 1.00 20.46 N +ATOM 2053 CA ASP A 273 -8.671 84.754 50.141 1.00 20.71 C +ATOM 2054 C ASP A 273 -9.894 84.042 49.642 1.00 20.63 C +ATOM 2055 O ASP A 273 -10.054 83.723 48.433 1.00 20.17 O +ATOM 2056 CB ASP A 273 -8.106 85.817 49.165 1.00 24.89 C +ATOM 2057 CG ASP A 273 -8.931 87.087 49.129 1.00 28.77 C +ATOM 2058 OD1 ASP A 273 -10.016 87.108 49.721 1.00 27.48 O +ATOM 2059 OD2 ASP A 273 -8.464 88.046 48.434 1.00 28.75 O +ATOM 2060 N ASN A 274 -10.742 83.624 50.558 1.00 17.93 N +ATOM 2061 CA ASN A 274 -11.864 82.744 50.296 1.00 19.20 C +ATOM 2062 C ASN A 274 -13.160 83.249 50.758 1.00 18.53 C +ATOM 2063 O ASN A 274 -13.282 83.648 51.903 1.00 19.20 O +ATOM 2064 CB ASN A 274 -11.654 81.368 51.045 1.00 20.51 C +ATOM 2065 CG ASN A 274 -10.397 80.638 50.607 1.00 21.55 C +ATOM 2066 OD1 ASN A 274 -10.207 80.495 49.406 1.00 22.74 O +ATOM 2067 ND2 ASN A 274 -9.534 80.179 51.519 1.00 21.27 N +ATOM 2068 N PHE A 275 -14.136 83.200 49.900 1.00 18.04 N +ATOM 2069 CA PHE A 275 -15.535 83.390 50.272 1.00 17.82 C +ATOM 2070 C PHE A 275 -16.302 82.094 50.049 1.00 17.83 C +ATOM 2071 O PHE A 275 -16.333 81.559 48.936 1.00 20.18 O +ATOM 2072 CB PHE A 275 -16.179 84.540 49.477 1.00 19.96 C +ATOM 2073 CG PHE A 275 -17.618 84.722 49.800 1.00 22.09 C +ATOM 2074 CD1 PHE A 275 -17.974 85.239 51.012 1.00 29.02 C +ATOM 2075 CD2 PHE A 275 -18.614 84.273 48.990 1.00 27.64 C +ATOM 2076 CE1 PHE A 275 -19.327 85.405 51.392 1.00 28.87 C +ATOM 2077 CE2 PHE A 275 -19.943 84.404 49.353 1.00 29.14 C +ATOM 2078 CZ PHE A 275 -20.307 84.956 50.571 1.00 26.44 C +ATOM 2079 N ALA A 276 -16.874 81.529 51.084 1.00 18.82 N +ATOM 2080 CA ALA A 276 -17.536 80.225 50.920 1.00 18.92 C +ATOM 2081 C ALA A 276 -18.932 80.285 51.502 1.00 18.68 C +ATOM 2082 O ALA A 276 -19.190 81.055 52.495 1.00 18.05 O +ATOM 2083 CB ALA A 276 -16.701 79.165 51.647 1.00 19.92 C +ATOM 2084 N ILE A 277 -19.864 79.515 50.918 1.00 16.67 N +ATOM 2085 CA ILE A 277 -21.225 79.412 51.368 1.00 17.79 C +ATOM 2086 C ILE A 277 -21.585 77.965 51.424 1.00 18.91 C +ATOM 2087 O ILE A 277 -21.118 77.166 50.588 1.00 18.93 O +ATOM 2088 CB ILE A 277 -22.220 80.115 50.395 1.00 23.42 C +ATOM 2089 CG1 ILE A 277 -21.988 79.628 48.949 1.00 24.72 C +ATOM 2090 CG2 ILE A 277 -21.980 81.608 50.524 1.00 26.70 C +ATOM 2091 CD1 ILE A 277 -22.968 80.122 47.873 1.00 29.69 C +ATOM 2092 N ASP A 278 -22.419 77.603 52.380 1.00 17.26 N +ATOM 2093 CA ASP A 278 -22.900 76.255 52.445 1.00 16.99 C +ATOM 2094 C ASP A 278 -24.284 76.084 52.935 1.00 20.22 C +ATOM 2095 O ASP A 278 -24.962 77.015 53.442 1.00 19.77 O +ATOM 2096 CB ASP A 278 -21.834 75.395 53.188 1.00 18.17 C +ATOM 2097 CG ASP A 278 -21.923 75.484 54.683 1.00 18.46 C +ATOM 2098 OD1 ASP A 278 -22.755 76.242 55.245 1.00 17.99 O +ATOM 2099 OD2 ASP A 278 -21.177 74.725 55.365 1.00 16.65 O +ATOM 2100 N ALA A 279 -24.773 74.880 52.826 1.00 17.54 N +ATOM 2101 CA ALA A 279 -26.078 74.466 53.296 1.00 16.55 C +ATOM 2102 C ALA A 279 -25.961 73.043 53.874 1.00 18.70 C +ATOM 2103 O ALA A 279 -25.470 72.158 53.157 1.00 18.34 O +ATOM 2104 CB ALA A 279 -27.156 74.446 52.195 1.00 20.12 C +ATOM 2105 N THR A 280 -26.479 72.857 55.069 1.00 17.99 N +ATOM 2106 CA THR A 280 -26.383 71.591 55.788 1.00 16.48 C +ATOM 2107 C THR A 280 -27.760 71.206 56.272 1.00 19.06 C +ATOM 2108 O THR A 280 -28.381 71.990 56.965 1.00 19.63 O +ATOM 2109 CB THR A 280 -25.414 71.705 56.950 1.00 16.06 C +ATOM 2110 OG1 THR A 280 -24.118 72.169 56.506 1.00 16.84 O +ATOM 2111 CG2 THR A 280 -25.191 70.344 57.716 1.00 16.48 C +ATOM 2112 N TYR A 281 -28.200 70.029 55.963 1.00 16.55 N +ATOM 2113 CA TYR A 281 -29.527 69.500 56.335 1.00 18.38 C +ATOM 2114 C TYR A 281 -29.405 68.453 57.377 1.00 19.47 C +ATOM 2115 O TYR A 281 -28.810 67.379 57.090 1.00 19.38 O +ATOM 2116 CB TYR A 281 -30.356 68.983 55.164 1.00 19.15 C +ATOM 2117 CG TYR A 281 -31.780 68.685 55.555 1.00 20.40 C +ATOM 2118 CD1 TYR A 281 -32.763 69.690 55.565 1.00 21.64 C +ATOM 2119 CD2 TYR A 281 -32.155 67.428 55.912 1.00 22.45 C +ATOM 2120 CE1 TYR A 281 -34.057 69.377 55.945 1.00 24.08 C +ATOM 2121 CE2 TYR A 281 -33.453 67.108 56.320 1.00 24.30 C +ATOM 2122 CZ TYR A 281 -34.398 68.117 56.308 1.00 27.44 C +ATOM 2123 OH TYR A 281 -35.671 67.753 56.711 1.00 29.76 O +ATOM 2124 N TYR A 282 -29.995 68.666 58.564 1.00 17.81 N +ATOM 2125 CA TYR A 282 -29.925 67.723 59.644 1.00 17.98 C +ATOM 2126 C TYR A 282 -31.152 66.829 59.643 1.00 19.04 C +ATOM 2127 O TYR A 282 -32.233 67.207 60.099 1.00 20.47 O +ATOM 2128 CB TYR A 282 -29.730 68.375 60.996 1.00 16.78 C +ATOM 2129 CG TYR A 282 -28.401 69.084 61.181 1.00 17.28 C +ATOM 2130 CD1 TYR A 282 -28.109 70.278 60.581 1.00 16.11 C +ATOM 2131 CD2 TYR A 282 -27.364 68.469 61.906 1.00 15.95 C +ATOM 2132 CE1 TYR A 282 -26.923 70.942 60.787 1.00 17.53 C +ATOM 2133 CE2 TYR A 282 -26.167 69.088 62.116 1.00 16.60 C +ATOM 2134 CZ TYR A 282 -25.917 70.317 61.540 1.00 16.15 C +ATOM 2135 OH TYR A 282 -24.708 70.887 61.739 1.00 17.97 O +ATOM 2136 N PHE A 283 -31.017 65.620 59.168 1.00 16.97 N +ATOM 2137 CA PHE A 283 -32.114 64.662 59.244 1.00 18.68 C +ATOM 2138 C PHE A 283 -32.375 64.280 60.681 1.00 20.46 C +ATOM 2139 O PHE A 283 -33.540 64.061 61.102 1.00 24.24 O +ATOM 2140 CB PHE A 283 -31.805 63.389 58.426 1.00 20.47 C +ATOM 2141 CG PHE A 283 -31.642 63.623 56.977 1.00 19.04 C +ATOM 2142 CD1 PHE A 283 -32.736 63.544 56.126 1.00 21.04 C +ATOM 2143 CD2 PHE A 283 -30.362 63.832 56.406 1.00 17.82 C +ATOM 2144 CE1 PHE A 283 -32.634 63.707 54.775 1.00 22.95 C +ATOM 2145 CE2 PHE A 283 -30.278 64.019 55.026 1.00 20.86 C +ATOM 2146 CZ PHE A 283 -31.408 63.976 54.225 1.00 22.06 C +ATOM 2147 N LYS A 284 -31.288 64.109 61.399 1.00 21.51 N +ATOM 2148 CA LYS A 284 -31.240 63.772 62.770 1.00 22.96 C +ATOM 2149 C LYS A 284 -30.027 64.411 63.312 1.00 19.41 C +ATOM 2150 O LYS A 284 -29.109 64.947 62.608 1.00 19.37 O +ATOM 2151 CB LYS A 284 -31.164 62.217 62.958 1.00 23.23 C +ATOM 2152 CG LYS A 284 -32.378 61.436 62.686 1.00 29.73 C +ATOM 2153 CD LYS A 284 -33.417 61.790 63.748 1.00 31.62 C +ATOM 2154 CE LYS A 284 -34.417 60.700 63.879 1.00 36.50 C +ATOM 2155 NZ LYS A 284 -35.616 61.127 64.652 1.00 33.69 N +ATOM 2156 N PRO A 285 -29.938 64.444 64.645 1.00 23.27 N +ATOM 2157 CA PRO A 285 -28.798 65.105 65.156 1.00 24.53 C +ATOM 2158 C PRO A 285 -27.396 64.458 64.772 1.00 21.65 C +ATOM 2159 O PRO A 285 -26.437 65.129 64.644 1.00 25.80 O +ATOM 2160 CB PRO A 285 -29.002 65.032 66.670 1.00 30.80 C +ATOM 2161 CG PRO A 285 -30.447 64.814 66.848 1.00 33.28 C +ATOM 2162 CD PRO A 285 -30.941 64.080 65.661 1.00 31.19 C +ATOM 2163 N ASN A 286 -27.477 63.190 64.450 1.00 21.71 N +ATOM 2164 CA ASN A 286 -26.261 62.462 64.044 1.00 22.31 C +ATOM 2165 C ASN A 286 -26.302 62.037 62.594 1.00 19.21 C +ATOM 2166 O ASN A 286 -25.562 61.117 62.188 1.00 18.22 O +ATOM 2167 CB ASN A 286 -26.106 61.191 64.930 1.00 20.23 C +ATOM 2168 CG ASN A 286 -27.170 60.167 64.702 1.00 26.16 C +ATOM 2169 OD1 ASN A 286 -28.356 60.459 64.418 1.00 25.01 O +ATOM 2170 ND2 ASN A 286 -26.750 58.880 64.741 1.00 28.30 N +ATOM 2171 N PHE A 287 -27.134 62.635 61.753 1.00 17.31 N +ATOM 2172 CA PHE A 287 -27.129 62.279 60.339 1.00 16.86 C +ATOM 2173 C PHE A 287 -27.508 63.517 59.568 1.00 18.69 C +ATOM 2174 O PHE A 287 -28.644 64.042 59.696 1.00 17.93 O +ATOM 2175 CB PHE A 287 -27.995 61.130 60.009 1.00 16.39 C +ATOM 2176 CG PHE A 287 -27.869 60.671 58.636 1.00 15.96 C +ATOM 2177 CD1 PHE A 287 -26.689 60.046 58.191 1.00 17.66 C +ATOM 2178 CD2 PHE A 287 -28.879 60.859 57.691 1.00 17.11 C +ATOM 2179 CE1 PHE A 287 -26.576 59.617 56.871 1.00 18.81 C +ATOM 2180 CE2 PHE A 287 -28.768 60.424 56.401 1.00 17.74 C +ATOM 2181 CZ PHE A 287 -27.600 59.797 55.982 1.00 18.93 C +ATOM 2182 N ARG A 288 -26.613 63.936 58.679 1.00 15.38 N +ATOM 2183 CA ARG A 288 -26.750 65.166 57.953 1.00 16.30 C +ATOM 2184 C ARG A 288 -26.208 65.087 56.546 1.00 16.26 C +ATOM 2185 O ARG A 288 -25.308 64.255 56.245 1.00 16.19 O +ATOM 2186 CB ARG A 288 -26.105 66.297 58.728 1.00 16.42 C +ATOM 2187 CG ARG A 288 -24.599 66.340 58.602 1.00 16.40 C +ATOM 2188 CD ARG A 288 -23.896 67.252 59.531 1.00 16.28 C +ATOM 2189 NE ARG A 288 -23.795 66.696 60.858 1.00 16.75 N +ATOM 2190 CZ ARG A 288 -23.108 67.234 61.836 1.00 16.34 C +ATOM 2191 NH1 ARG A 288 -22.502 68.375 61.693 1.00 17.79 N +ATOM 2192 NH2 ARG A 288 -23.153 66.665 62.994 1.00 19.33 N +ATOM 2193 N SER A 289 -26.663 65.962 55.646 1.00 15.17 N +ATOM 2194 CA SER A 289 -26.077 66.138 54.326 1.00 14.72 C +ATOM 2195 C SER A 289 -25.646 67.569 54.107 1.00 16.94 C +ATOM 2196 O SER A 289 -26.181 68.461 54.817 1.00 17.96 O +ATOM 2197 CB SER A 289 -26.986 65.700 53.220 1.00 17.37 C +ATOM 2198 OG SER A 289 -28.153 66.497 53.263 1.00 21.73 O +ATOM 2199 N TYR A 290 -24.694 67.870 53.271 1.00 15.18 N +ATOM 2200 CA TYR A 290 -24.324 69.247 53.050 1.00 15.56 C +ATOM 2201 C TYR A 290 -23.802 69.427 51.659 1.00 17.79 C +ATOM 2202 O TYR A 290 -23.297 68.493 51.028 1.00 16.09 O +ATOM 2203 CB TYR A 290 -23.387 69.766 54.094 1.00 15.76 C +ATOM 2204 CG TYR A 290 -22.048 69.001 54.261 1.00 14.54 C +ATOM 2205 CD1 TYR A 290 -21.015 69.208 53.442 1.00 15.98 C +ATOM 2206 CD2 TYR A 290 -21.914 68.132 55.321 1.00 17.25 C +ATOM 2207 CE1 TYR A 290 -19.754 68.528 53.605 1.00 17.46 C +ATOM 2208 CE2 TYR A 290 -20.692 67.489 55.555 1.00 16.91 C +ATOM 2209 CZ TYR A 290 -19.648 67.659 54.654 1.00 17.56 C +ATOM 2210 OH TYR A 290 -18.420 67.038 54.867 1.00 18.69 O +ATOM 2211 N ILE A 291 -23.804 70.700 51.214 1.00 16.41 N +ATOM 2212 CA ILE A 291 -23.199 71.123 49.998 1.00 16.28 C +ATOM 2213 C ILE A 291 -22.531 72.480 50.223 1.00 16.95 C +ATOM 2214 O ILE A 291 -23.110 73.319 50.978 1.00 17.20 O +ATOM 2215 CB ILE A 291 -24.192 71.147 48.825 1.00 18.41 C +ATOM 2216 CG1 ILE A 291 -23.466 71.464 47.556 1.00 18.47 C +ATOM 2217 CG2 ILE A 291 -25.389 72.023 49.095 1.00 19.88 C +ATOM 2218 CD1 ILE A 291 -24.297 71.163 46.297 1.00 21.87 C +ATOM 2219 N SER A 292 -21.331 72.655 49.692 1.00 15.48 N +ATOM 2220 CA SER A 292 -20.550 73.815 49.993 1.00 16.42 C +ATOM 2221 C SER A 292 -19.801 74.297 48.805 1.00 18.08 C +ATOM 2222 O SER A 292 -19.241 73.489 48.021 1.00 17.79 O +ATOM 2223 CB SER A 292 -19.552 73.517 51.117 1.00 18.11 C +ATOM 2224 OG SER A 292 -18.807 74.641 51.571 1.00 17.58 O +ATOM 2225 N TYR A 293 -19.687 75.622 48.623 1.00 17.61 N +ATOM 2226 CA TYR A 293 -18.873 76.141 47.571 1.00 18.77 C +ATOM 2227 C TYR A 293 -17.916 77.180 48.041 1.00 18.57 C +ATOM 2228 O TYR A 293 -18.378 78.133 48.750 1.00 17.85 O +ATOM 2229 CB TYR A 293 -19.789 76.739 46.459 1.00 19.21 C +ATOM 2230 CG TYR A 293 -19.053 76.972 45.157 1.00 21.29 C +ATOM 2231 CD1 TYR A 293 -18.330 78.156 44.932 1.00 21.43 C +ATOM 2232 CD2 TYR A 293 -18.984 75.992 44.183 1.00 23.75 C +ATOM 2233 CE1 TYR A 293 -17.632 78.365 43.741 1.00 22.31 C +ATOM 2234 CE2 TYR A 293 -18.281 76.204 43.009 1.00 25.54 C +ATOM 2235 CZ TYR A 293 -17.651 77.402 42.783 1.00 26.55 C +ATOM 2236 OH TYR A 293 -16.931 77.577 41.629 1.00 24.63 O +ATOM 2237 N GLN A 294 -16.638 77.028 47.673 1.00 17.76 N +ATOM 2238 CA GLN A 294 -15.609 77.952 48.000 1.00 18.80 C +ATOM 2239 C GLN A 294 -15.238 78.742 46.761 1.00 19.98 C +ATOM 2240 O GLN A 294 -14.670 78.176 45.811 1.00 19.90 O +ATOM 2241 CB GLN A 294 -14.401 77.353 48.672 1.00 19.99 C +ATOM 2242 CG GLN A 294 -13.301 78.318 49.047 1.00 21.12 C +ATOM 2243 CD GLN A 294 -12.211 77.637 49.827 1.00 23.26 C +ATOM 2244 OE1 GLN A 294 -11.371 76.981 49.222 1.00 31.87 O +ATOM 2245 NE2 GLN A 294 -12.160 77.790 51.086 1.00 22.07 N +ATOM 2246 N PHE A 295 -15.492 80.062 46.807 1.00 19.53 N +ATOM 2247 CA PHE A 295 -14.924 80.985 45.788 1.00 20.36 C +ATOM 2248 C PHE A 295 -13.594 81.376 46.209 1.00 19.69 C +ATOM 2249 O PHE A 295 -13.364 82.071 47.251 1.00 21.13 O +ATOM 2250 CB PHE A 295 -15.815 82.285 45.683 1.00 20.12 C +ATOM 2251 CG PHE A 295 -17.199 82.042 45.277 1.00 21.93 C +ATOM 2252 CD1 PHE A 295 -17.507 82.072 43.931 1.00 26.89 C +ATOM 2253 CD2 PHE A 295 -18.223 81.805 46.193 1.00 22.33 C +ATOM 2254 CE1 PHE A 295 -18.796 81.853 43.537 1.00 23.68 C +ATOM 2255 CE2 PHE A 295 -19.529 81.631 45.809 1.00 25.25 C +ATOM 2256 CZ PHE A 295 -19.815 81.657 44.441 1.00 27.21 C +ATOM 2257 N ASN A 296 -12.603 80.857 45.506 1.00 19.99 N +ATOM 2258 CA ASN A 296 -11.249 81.126 45.776 1.00 20.13 C +ATOM 2259 C ASN A 296 -10.840 82.392 45.045 1.00 24.42 C +ATOM 2260 O ASN A 296 -10.792 82.391 43.842 1.00 24.12 O +ATOM 2261 CB ASN A 296 -10.399 79.926 45.397 1.00 22.82 C +ATOM 2262 CG ASN A 296 -8.952 80.071 45.720 1.00 22.09 C +ATOM 2263 OD1 ASN A 296 -8.379 81.157 45.933 1.00 22.94 O +ATOM 2264 ND2 ASN A 296 -8.276 78.922 45.747 1.00 22.92 N +ATOM 2265 N LEU A 297 -10.566 83.449 45.797 1.00 22.48 N +ATOM 2266 CA LEU A 297 -10.374 84.790 45.159 1.00 23.52 C +ATOM 2267 C LEU A 297 -8.951 85.079 44.837 1.00 27.25 C +ATOM 2268 O LEU A 297 -8.650 86.172 44.345 1.00 33.00 O +ATOM 2269 CB LEU A 297 -10.988 85.830 46.073 1.00 22.68 C +ATOM 2270 CG LEU A 297 -12.420 85.631 46.528 1.00 25.14 C +ATOM 2271 CD1 LEU A 297 -12.738 86.756 47.498 1.00 32.55 C +ATOM 2272 CD2 LEU A 297 -13.434 85.529 45.429 1.00 27.75 C +ATOM 2273 N LEU A 298 -8.014 84.192 45.132 1.00 24.56 N +ATOM 2274 CA LEU A 298 -6.700 84.298 44.587 1.00 29.57 C +ATOM 2275 C LEU A 298 -6.864 84.136 43.030 1.00 31.03 C +ATOM 2276 O LEU A 298 -7.813 83.463 42.483 1.00 32.67 O +ATOM 2277 CB LEU A 298 -5.739 83.254 45.163 1.00 31.28 C +ATOM 2278 CG LEU A 298 -5.540 83.220 46.662 1.00 29.78 C +ATOM 2279 CD1 LEU A 298 -4.736 81.993 47.025 1.00 30.84 C +ATOM 2280 CD2 LEU A 298 -4.864 84.448 47.177 1.00 31.15 C +ATOM 2281 N ASP A 299 -6.006 84.840 42.319 1.00 37.46 N +ATOM 2282 CA ASP A 299 -5.915 84.733 40.820 1.00 43.30 C +ATOM 2283 C ASP A 299 -4.461 84.841 40.332 1.00 43.76 C +ATOM 2284 O ASP A 299 -3.536 84.870 41.176 1.00 39.45 O +ATOM 2285 CB ASP A 299 -6.839 85.768 40.133 1.00 47.85 C +ATOM 2286 CG ASP A 299 -6.421 87.214 40.383 1.00 54.03 C +ATOM 2287 OD1 ASP A 299 -5.238 87.499 40.703 1.00 64.43 O +ATOM 2288 OD2 ASP A 299 -7.302 88.081 40.250 1.00 61.52 O +ATOM 2289 N SER A 300 -4.268 84.896 38.991 1.00 49.46 N +ATOM 2290 CA SER A 300 -2.931 84.891 38.360 1.00 51.07 C +ATOM 2291 C SER A 300 -2.097 86.088 38.768 1.00 53.24 C +ATOM 2292 O SER A 300 -1.036 85.896 39.351 1.00 56.13 O +ATOM 2293 CB SER A 300 -3.011 84.805 36.820 1.00 55.88 C +ATOM 2294 OG SER A 300 -3.764 85.887 36.262 1.00 57.00 O +ATOM 2295 N ALA A 303 -1.113 83.931 42.573 1.00 47.81 N +ATOM 2296 CA ALA A 303 -1.031 82.487 42.851 1.00 43.45 C +ATOM 2297 C ALA A 303 -1.150 81.594 41.568 1.00 39.53 C +ATOM 2298 O ALA A 303 -1.687 82.019 40.536 1.00 37.64 O +ATOM 2299 CB ALA A 303 -2.091 82.114 43.884 1.00 41.90 C +ATOM 2300 N SER A 304 -0.651 80.364 41.648 1.00 38.13 N +ATOM 2301 CA SER A 304 -0.760 79.433 40.533 1.00 35.75 C +ATOM 2302 C SER A 304 -2.242 79.133 40.144 1.00 36.89 C +ATOM 2303 O SER A 304 -3.179 79.436 40.889 1.00 30.77 O +ATOM 2304 CB SER A 304 -0.043 78.150 40.844 1.00 35.45 C +ATOM 2305 OG SER A 304 -0.784 77.388 41.782 1.00 31.59 O +ATOM 2306 N LYS A 305 -2.455 78.543 38.965 1.00 33.52 N +ATOM 2307 CA LYS A 305 -3.826 78.117 38.581 1.00 31.43 C +ATOM 2308 C LYS A 305 -4.416 77.162 39.629 1.00 27.60 C +ATOM 2309 O LYS A 305 -5.537 77.325 40.049 1.00 26.08 O +ATOM 2310 CB LYS A 305 -3.781 77.405 37.240 1.00 36.33 C +ATOM 2311 CG LYS A 305 -5.112 76.895 36.758 1.00 37.10 C +ATOM 2312 CD LYS A 305 -4.935 76.144 35.440 1.00 39.77 C +ATOM 2313 CE LYS A 305 -6.288 75.854 34.821 1.00 44.80 C +ATOM 2314 NZ LYS A 305 -6.222 76.220 33.379 1.00 55.82 N +ATOM 2315 N VAL A 306 -3.635 76.186 40.021 1.00 26.66 N +ATOM 2316 CA VAL A 306 -4.118 75.163 41.014 1.00 26.10 C +ATOM 2317 C VAL A 306 -4.424 75.862 42.358 1.00 26.36 C +ATOM 2318 O VAL A 306 -5.432 75.551 42.978 1.00 23.89 O +ATOM 2319 CB VAL A 306 -3.085 74.066 41.195 1.00 30.68 C +ATOM 2320 CG1 VAL A 306 -3.370 73.209 42.400 1.00 30.19 C +ATOM 2321 CG2 VAL A 306 -3.026 73.200 39.922 1.00 29.76 C +ATOM 2322 N ALA A 307 -3.548 76.783 42.775 1.00 25.33 N +ATOM 2323 CA ALA A 307 -3.716 77.465 44.074 1.00 26.97 C +ATOM 2324 C ALA A 307 -4.905 78.419 44.103 1.00 27.42 C +ATOM 2325 O ALA A 307 -5.320 78.817 45.208 1.00 27.81 O +ATOM 2326 CB ALA A 307 -2.429 78.210 44.442 1.00 27.31 C +ATOM 2327 N SER A 308 -5.461 78.785 42.934 1.00 23.94 N +ATOM 2328 CA SER A 308 -6.589 79.691 42.777 1.00 24.18 C +ATOM 2329 C SER A 308 -7.903 79.042 42.421 1.00 23.75 C +ATOM 2330 O SER A 308 -8.877 79.710 42.233 1.00 22.35 O +ATOM 2331 CB SER A 308 -6.272 80.732 41.681 1.00 31.21 C +ATOM 2332 OG SER A 308 -4.923 81.187 41.815 1.00 37.06 O +ATOM 2333 N GLU A 309 -7.970 77.703 42.336 1.00 20.61 N +ATOM 2334 CA GLU A 309 -9.167 77.013 41.917 1.00 23.00 C +ATOM 2335 C GLU A 309 -10.217 77.052 42.981 1.00 20.19 C +ATOM 2336 O GLU A 309 -9.886 76.847 44.194 1.00 20.81 O +ATOM 2337 CB GLU A 309 -8.896 75.537 41.617 1.00 26.18 C +ATOM 2338 CG GLU A 309 -8.095 75.261 40.340 1.00 28.79 C +ATOM 2339 CD GLU A 309 -8.897 75.407 39.050 1.00 29.19 C +ATOM 2340 OE1 GLU A 309 -10.158 75.712 39.041 1.00 28.18 O +ATOM 2341 OE2 GLU A 309 -8.162 75.125 38.029 1.00 33.66 O +ATOM 2342 N ASP A 310 -11.456 77.254 42.573 1.00 19.47 N +ATOM 2343 CA ASP A 310 -12.650 77.106 43.436 1.00 18.35 C +ATOM 2344 C ASP A 310 -12.880 75.627 43.778 1.00 20.43 C +ATOM 2345 O ASP A 310 -12.283 74.756 43.114 1.00 19.27 O +ATOM 2346 CB ASP A 310 -13.889 77.597 42.727 1.00 19.09 C +ATOM 2347 CG ASP A 310 -13.924 79.167 42.511 1.00 20.96 C +ATOM 2348 OD1 ASP A 310 -12.993 79.830 42.856 1.00 22.71 O +ATOM 2349 OD2 ASP A 310 -14.898 79.554 41.901 1.00 25.44 O +ATOM 2350 N GLU A 311 -13.776 75.361 44.727 1.00 18.61 N +ATOM 2351 CA GLU A 311 -14.049 73.958 45.120 1.00 19.16 C +ATOM 2352 C GLU A 311 -15.501 73.839 45.459 1.00 18.34 C +ATOM 2353 O GLU A 311 -16.050 74.649 46.278 1.00 19.64 O +ATOM 2354 CB GLU A 311 -13.160 73.534 46.284 1.00 16.53 C +ATOM 2355 CG GLU A 311 -13.479 72.113 46.747 1.00 17.41 C +ATOM 2356 CD GLU A 311 -12.637 71.679 47.924 1.00 18.28 C +ATOM 2357 OE1 GLU A 311 -12.323 72.524 48.784 1.00 17.08 O +ATOM 2358 OE2 GLU A 311 -12.317 70.466 48.038 1.00 19.60 O +ATOM 2359 N LEU A 312 -16.143 72.806 44.903 1.00 17.74 N +ATOM 2360 CA LEU A 312 -17.463 72.385 45.327 1.00 16.71 C +ATOM 2361 C LEU A 312 -17.272 71.146 46.233 1.00 17.46 C +ATOM 2362 O LEU A 312 -16.490 70.267 45.877 1.00 17.62 O +ATOM 2363 CB LEU A 312 -18.338 72.014 44.174 1.00 19.46 C +ATOM 2364 CG LEU A 312 -19.671 71.377 44.462 1.00 21.60 C +ATOM 2365 CD1 LEU A 312 -20.681 72.320 45.046 1.00 22.94 C +ATOM 2366 CD2 LEU A 312 -20.288 70.847 43.140 1.00 25.48 C +ATOM 2367 N ALA A 313 -17.995 71.057 47.352 1.00 16.81 N +ATOM 2368 CA ALA A 313 -17.901 69.823 48.175 1.00 16.69 C +ATOM 2369 C ALA A 313 -19.274 69.396 48.493 1.00 18.27 C +ATOM 2370 O ALA A 313 -20.213 70.243 48.755 1.00 18.20 O +ATOM 2371 CB ALA A 313 -17.124 70.098 49.398 1.00 16.87 C +ATOM 2372 N ILE A 314 -19.506 68.084 48.501 1.00 14.97 N +ATOM 2373 CA ILE A 314 -20.747 67.469 48.810 1.00 14.76 C +ATOM 2374 C ILE A 314 -20.539 66.390 49.855 1.00 16.21 C +ATOM 2375 O ILE A 314 -19.597 65.584 49.721 1.00 15.52 O +ATOM 2376 CB ILE A 314 -21.424 66.799 47.595 1.00 18.68 C +ATOM 2377 CG1 ILE A 314 -21.609 67.870 46.499 1.00 21.53 C +ATOM 2378 CG2 ILE A 314 -22.722 66.148 47.993 1.00 18.69 C +ATOM 2379 CD1 ILE A 314 -22.003 67.316 45.139 1.00 26.77 C +ATOM 2380 N GLY A 315 -21.334 66.429 50.920 1.00 15.05 N +ATOM 2381 CA GLY A 315 -21.008 65.552 52.077 1.00 15.38 C +ATOM 2382 C GLY A 315 -22.254 64.871 52.630 1.00 15.71 C +ATOM 2383 O GLY A 315 -23.419 65.327 52.534 1.00 15.59 O +ATOM 2384 N LEU A 316 -22.031 63.688 53.203 1.00 13.76 N +ATOM 2385 CA LEU A 316 -23.062 62.964 53.906 1.00 13.65 C +ATOM 2386 C LEU A 316 -22.368 62.432 55.172 1.00 15.12 C +ATOM 2387 O LEU A 316 -21.373 61.670 55.103 1.00 14.65 O +ATOM 2388 CB LEU A 316 -23.624 61.856 53.037 1.00 15.48 C +ATOM 2389 CG LEU A 316 -24.782 61.077 53.600 1.00 18.01 C +ATOM 2390 CD1 LEU A 316 -26.035 62.049 53.620 1.00 19.31 C +ATOM 2391 CD2 LEU A 316 -25.113 59.857 52.783 1.00 18.13 C +ATOM 2392 N ARG A 317 -22.853 62.799 56.341 1.00 14.15 N +ATOM 2393 CA ARG A 317 -22.127 62.559 57.563 1.00 14.49 C +ATOM 2394 C ARG A 317 -22.986 61.827 58.561 1.00 15.81 C +ATOM 2395 O ARG A 317 -24.062 62.310 58.969 1.00 14.47 O +ATOM 2396 CB ARG A 317 -21.592 63.838 58.158 1.00 15.32 C +ATOM 2397 CG ARG A 317 -20.912 63.698 59.543 1.00 15.67 C +ATOM 2398 CD ARG A 317 -20.314 65.015 59.995 1.00 17.05 C +ATOM 2399 NE ARG A 317 -20.020 64.901 61.416 1.00 15.72 N +ATOM 2400 CZ ARG A 317 -19.625 65.941 62.146 1.00 16.64 C +ATOM 2401 NH1 ARG A 317 -19.333 67.093 61.585 1.00 17.75 N +ATOM 2402 NH2 ARG A 317 -19.568 65.783 63.462 1.00 16.88 N +ATOM 2403 N TYR A 318 -22.481 60.706 59.098 1.00 14.37 N +ATOM 2404 CA TYR A 318 -23.141 59.911 60.132 1.00 14.08 C +ATOM 2405 C TYR A 318 -22.232 60.042 61.337 1.00 14.67 C +ATOM 2406 O TYR A 318 -21.054 59.705 61.273 1.00 14.98 O +ATOM 2407 CB TYR A 318 -23.244 58.408 59.684 1.00 13.25 C +ATOM 2408 CG TYR A 318 -23.951 57.622 60.727 1.00 13.55 C +ATOM 2409 CD1 TYR A 318 -23.241 57.143 61.813 1.00 15.38 C +ATOM 2410 CD2 TYR A 318 -25.307 57.419 60.662 1.00 18.19 C +ATOM 2411 CE1 TYR A 318 -23.938 56.590 62.876 1.00 16.32 C +ATOM 2412 CE2 TYR A 318 -25.995 56.798 61.713 1.00 19.42 C +ATOM 2413 CZ TYR A 318 -25.288 56.424 62.822 1.00 20.60 C +ATOM 2414 OH TYR A 318 -25.995 55.819 63.892 1.00 22.45 O +ATOM 2415 N ASP A 319 -22.792 60.386 62.505 1.00 13.83 N +ATOM 2416 CA ASP A 319 -22.003 60.429 63.753 1.00 15.02 C +ATOM 2417 C ASP A 319 -22.397 59.269 64.649 1.00 17.51 C +ATOM 2418 O ASP A 319 -23.571 58.978 64.912 1.00 16.82 O +ATOM 2419 CB ASP A 319 -22.174 61.747 64.480 1.00 16.72 C +ATOM 2420 CG ASP A 319 -21.505 62.913 63.722 1.00 17.86 C +ATOM 2421 OD1 ASP A 319 -20.398 63.208 64.004 1.00 21.73 O +ATOM 2422 OD2 ASP A 319 -22.333 63.584 63.059 1.00 31.10 O +ATOM 2423 N PHE A 320 -21.355 58.508 65.054 1.00 18.35 N +ATOM 2424 CA PHE A 320 -21.536 57.311 65.859 1.00 19.64 C +ATOM 2425 C PHE A 320 -21.986 57.626 67.287 1.00 23.88 C +ATOM 2426 O PHE A 320 -21.707 58.713 67.813 1.00 25.09 O +ATOM 2427 CB PHE A 320 -20.224 56.515 65.945 1.00 17.32 C +ATOM 2428 CG PHE A 320 -19.822 55.873 64.655 1.00 15.61 C +ATOM 2429 CD1 PHE A 320 -20.668 55.040 63.980 1.00 19.25 C +ATOM 2430 CD2 PHE A 320 -18.579 56.114 64.086 1.00 17.44 C +ATOM 2431 CE1 PHE A 320 -20.269 54.444 62.770 1.00 17.79 C +ATOM 2432 CE2 PHE A 320 -18.186 55.554 62.867 1.00 18.63 C +ATOM 2433 CZ PHE A 320 -19.017 54.679 62.229 1.00 16.76 C +ATOM 2434 OXT PHE A 320 -22.696 56.799 67.923 1.00 24.11 O +TER 2435 PHE A 320 +ATOM 2436 N ASP B 1 -4.373 43.703 85.849 1.00 59.06 N +ATOM 2437 CA ASP B 1 -3.400 42.624 86.055 1.00 45.64 C +ATOM 2438 C ASP B 1 -2.826 42.569 87.506 1.00 40.39 C +ATOM 2439 O ASP B 1 -1.781 41.916 87.722 1.00 32.90 O +ATOM 2440 CB ASP B 1 -2.244 42.710 85.031 1.00 43.96 C +ATOM 2441 CG ASP B 1 -1.734 41.314 84.527 1.00 59.13 C +ATOM 2442 OD1 ASP B 1 -2.175 40.247 85.017 1.00 58.67 O +ATOM 2443 OD2 ASP B 1 -0.875 41.297 83.595 1.00 69.22 O +ATOM 2444 N GLY B 2 -3.504 43.167 88.496 1.00 31.66 N +ATOM 2445 CA GLY B 2 -3.170 42.858 89.870 1.00 30.73 C +ATOM 2446 C GLY B 2 -1.756 43.318 90.158 1.00 25.22 C +ATOM 2447 O GLY B 2 -1.370 44.486 89.932 1.00 22.03 O +ATOM 2448 N ILE B 3 -0.954 42.369 90.661 1.00 24.30 N +ATOM 2449 CA ILE B 3 0.362 42.779 91.070 1.00 24.52 C +ATOM 2450 C ILE B 3 1.217 43.105 89.875 1.00 18.94 C +ATOM 2451 O ILE B 3 2.168 43.827 89.972 1.00 19.67 O +ATOM 2452 CB ILE B 3 1.152 41.718 91.888 1.00 28.57 C +ATOM 2453 CG1 ILE B 3 1.261 40.445 91.044 1.00 29.62 C +ATOM 2454 CG2 ILE B 3 0.460 41.477 93.222 1.00 37.32 C +ATOM 2455 CD1 ILE B 3 2.482 39.631 91.395 1.00 40.83 C +ATOM 2456 N ASN B 4 0.841 42.606 88.703 1.00 20.47 N +ATOM 2457 CA ASN B 4 1.581 42.942 87.515 1.00 19.30 C +ATOM 2458 C ASN B 4 0.938 44.241 86.993 1.00 20.36 C +ATOM 2459 O ASN B 4 0.206 44.256 86.026 1.00 20.18 O +ATOM 2460 CB ASN B 4 1.513 41.771 86.493 1.00 20.38 C +ATOM 2461 CG ASN B 4 2.258 40.572 87.027 1.00 19.79 C +ATOM 2462 OD1 ASN B 4 3.479 40.713 87.336 1.00 24.68 O +ATOM 2463 ND2 ASN B 4 1.571 39.509 87.306 1.00 18.19 N +ATOM 2464 N GLN B 5 1.323 45.356 87.578 1.00 18.23 N +ATOM 2465 CA GLN B 5 0.632 46.628 87.463 1.00 19.15 C +ATOM 2466 C GLN B 5 0.605 47.169 86.009 1.00 20.64 C +ATOM 2467 O GLN B 5 -0.393 47.715 85.609 1.00 20.17 O +ATOM 2468 CB GLN B 5 1.218 47.655 88.368 1.00 19.70 C +ATOM 2469 CG GLN B 5 1.081 47.264 89.877 1.00 19.92 C +ATOM 2470 CD GLN B 5 1.501 48.427 90.744 1.00 19.57 C +ATOM 2471 OE1 GLN B 5 2.706 48.623 91.026 1.00 23.05 O +ATOM 2472 NE2 GLN B 5 0.541 49.267 91.091 1.00 18.77 N +ATOM 2473 N SER B 6 1.680 46.914 85.281 1.00 16.64 N +ATOM 2474 CA SER B 6 1.773 47.442 83.925 1.00 18.96 C +ATOM 2475 C SER B 6 0.930 46.661 82.925 1.00 18.87 C +ATOM 2476 O SER B 6 0.743 47.137 81.796 1.00 20.33 O +ATOM 2477 CB SER B 6 3.164 47.514 83.456 1.00 18.40 C +ATOM 2478 OG SER B 6 3.701 46.218 83.123 1.00 19.93 O +ATOM 2479 N GLY B 7 0.480 45.480 83.296 1.00 17.82 N +ATOM 2480 CA GLY B 7 -0.375 44.665 82.461 1.00 18.13 C +ATOM 2481 C GLY B 7 -1.752 45.219 82.292 1.00 18.96 C +ATOM 2482 O GLY B 7 -2.278 45.932 83.180 1.00 16.81 O +ATOM 2483 N ASP B 8 -2.430 44.694 81.244 1.00 16.90 N +ATOM 2484 CA ASP B 8 -3.797 45.028 80.974 1.00 19.39 C +ATOM 2485 C ASP B 8 -4.746 44.665 82.123 1.00 19.37 C +ATOM 2486 O ASP B 8 -4.575 43.632 82.769 1.00 21.83 O +ATOM 2487 CB ASP B 8 -4.330 44.324 79.730 1.00 19.24 C +ATOM 2488 CG ASP B 8 -3.683 44.804 78.415 1.00 19.84 C +ATOM 2489 OD1 ASP B 8 -3.085 45.869 78.277 1.00 17.71 O +ATOM 2490 OD2 ASP B 8 -3.820 43.995 77.446 1.00 19.43 O +ATOM 2491 N LYS B 9 -5.792 45.451 82.313 1.00 20.67 N +ATOM 2492 CA LYS B 9 -6.933 45.014 83.060 1.00 23.14 C +ATOM 2493 C LYS B 9 -8.042 44.452 82.189 1.00 23.28 C +ATOM 2494 O LYS B 9 -8.189 44.835 81.026 1.00 22.98 O +ATOM 2495 CB LYS B 9 -7.521 46.190 83.819 1.00 25.28 C +ATOM 2496 CG LYS B 9 -6.645 46.768 84.912 1.00 35.21 C +ATOM 2497 CD LYS B 9 -7.441 47.666 85.864 1.00 40.83 C +ATOM 2498 CE LYS B 9 -8.522 46.948 86.694 1.00 47.32 C +ATOM 2499 NZ LYS B 9 -7.894 45.957 87.616 1.00 53.82 N +ATOM 2500 N ALA B 10 -8.882 43.590 82.736 1.00 24.92 N +ATOM 2501 CA ALA B 10 -10.058 43.110 82.015 1.00 25.95 C +ATOM 2502 C ALA B 10 -10.887 44.329 81.526 1.00 27.12 C +ATOM 2503 O ALA B 10 -10.961 45.382 82.175 1.00 27.64 O +ATOM 2504 CB ALA B 10 -10.904 42.179 82.906 1.00 28.57 C +ATOM 2505 N GLY B 11 -11.455 44.222 80.342 1.00 25.35 N +ATOM 2506 CA GLY B 11 -12.314 45.290 79.760 1.00 24.54 C +ATOM 2507 C GLY B 11 -13.761 45.282 80.237 1.00 25.37 C +ATOM 2508 O GLY B 11 -14.089 44.640 81.229 1.00 27.57 O +ATOM 2509 N SER B 12 -14.556 46.091 79.584 1.00 21.95 N +ATOM 2510 CA SER B 12 -15.953 46.307 79.973 1.00 24.36 C +ATOM 2511 C SER B 12 -16.819 45.543 79.024 1.00 23.81 C +ATOM 2512 O SER B 12 -16.673 45.632 77.773 1.00 20.17 O +ATOM 2513 CB SER B 12 -16.287 47.762 79.912 1.00 25.68 C +ATOM 2514 OG SER B 12 -15.424 48.502 80.734 1.00 31.59 O +ATOM 2515 N THR B 13 -17.797 44.855 79.600 1.00 22.25 N +ATOM 2516 CA THR B 13 -18.743 44.091 78.852 1.00 22.51 C +ATOM 2517 C THR B 13 -19.686 44.993 78.144 1.00 23.36 C +ATOM 2518 O THR B 13 -20.415 45.705 78.820 1.00 23.63 O +ATOM 2519 CB THR B 13 -19.531 43.134 79.767 1.00 24.38 C +ATOM 2520 OG1 THR B 13 -18.602 42.205 80.296 1.00 30.84 O +ATOM 2521 CG2 THR B 13 -20.564 42.376 78.983 1.00 25.36 C +ATOM 2522 N VAL B 14 -19.695 45.005 76.807 1.00 20.57 N +ATOM 2523 CA VAL B 14 -20.615 45.828 76.004 1.00 21.37 C +ATOM 2524 C VAL B 14 -21.729 45.062 75.389 1.00 23.42 C +ATOM 2525 O VAL B 14 -22.641 45.662 74.864 1.00 23.59 O +ATOM 2526 CB VAL B 14 -19.857 46.630 74.923 1.00 20.20 C +ATOM 2527 CG1 VAL B 14 -18.832 47.508 75.557 1.00 20.07 C +ATOM 2528 CG2 VAL B 14 -19.161 45.695 73.911 1.00 24.19 C +ATOM 2529 N TYR B 15 -21.658 43.725 75.401 1.00 22.59 N +ATOM 2530 CA TYR B 15 -22.641 42.858 74.861 1.00 23.26 C +ATOM 2531 C TYR B 15 -22.540 41.567 75.634 1.00 24.97 C +ATOM 2532 O TYR B 15 -21.432 41.068 75.840 1.00 21.09 O +ATOM 2533 CB TYR B 15 -22.391 42.575 73.356 1.00 23.35 C +ATOM 2534 CG TYR B 15 -23.323 41.596 72.775 1.00 24.65 C +ATOM 2535 CD1 TYR B 15 -24.582 41.977 72.328 1.00 28.12 C +ATOM 2536 CD2 TYR B 15 -22.974 40.254 72.691 1.00 26.43 C +ATOM 2537 CE1 TYR B 15 -25.465 41.043 71.788 1.00 31.70 C +ATOM 2538 CE2 TYR B 15 -23.862 39.326 72.154 1.00 31.01 C +ATOM 2539 CZ TYR B 15 -25.094 39.734 71.708 1.00 32.43 C +ATOM 2540 OH TYR B 15 -25.999 38.834 71.216 1.00 35.10 O +ATOM 2541 N SER B 16 -23.675 40.986 76.005 1.00 23.95 N +ATOM 2542 CA SER B 16 -23.621 39.671 76.645 1.00 29.73 C +ATOM 2543 C SER B 16 -24.960 39.024 76.406 1.00 31.85 C +ATOM 2544 O SER B 16 -26.006 39.602 76.778 1.00 32.24 O +ATOM 2545 CB SER B 16 -23.366 39.819 78.139 1.00 35.50 C +ATOM 2546 OG SER B 16 -23.243 38.522 78.730 1.00 43.34 O +ATOM 2547 N ALA B 17 -24.982 37.841 75.829 1.00 26.12 N +ATOM 2548 CA ALA B 17 -26.292 37.138 75.660 1.00 31.05 C +ATOM 2549 C ALA B 17 -25.998 35.677 75.449 1.00 40.30 C +ATOM 2550 O ALA B 17 -25.130 35.356 74.602 1.00 38.79 O +ATOM 2551 CB ALA B 17 -27.060 37.694 74.463 1.00 36.19 C +ATOM 2552 N LYS B 18 -26.635 34.786 76.219 1.00 40.76 N +ATOM 2553 CA LYS B 18 -26.568 33.331 75.898 1.00 44.16 C +ATOM 2554 C LYS B 18 -25.089 32.818 75.903 1.00 35.99 C +ATOM 2555 O LYS B 18 -24.670 32.099 74.995 1.00 49.70 O +ATOM 2556 CB LYS B 18 -27.181 33.040 74.531 1.00 43.84 C +ATOM 2557 CG LYS B 18 -28.610 33.483 74.313 1.00 48.85 C +ATOM 2558 CD LYS B 18 -29.586 32.646 75.114 1.00 47.35 C +ATOM 2559 CE LYS B 18 -30.927 32.563 74.392 1.00 52.46 C +ATOM 2560 NZ LYS B 18 -31.989 32.094 75.311 1.00 53.67 N +ATOM 2561 N GLY B 19 -24.380 33.154 76.969 1.00 41.61 N +ATOM 2562 CA GLY B 19 -22.975 32.793 77.173 1.00 39.64 C +ATOM 2563 C GLY B 19 -21.991 33.269 76.084 1.00 40.82 C +ATOM 2564 O GLY B 19 -20.842 32.880 76.167 1.00 32.24 O +ATOM 2565 N THR B 20 -22.446 34.111 75.122 1.00 32.56 N +ATOM 2566 CA THR B 20 -21.605 34.904 74.247 1.00 32.44 C +ATOM 2567 C THR B 20 -21.456 36.390 74.756 1.00 31.04 C +ATOM 2568 O THR B 20 -22.463 37.120 74.988 1.00 28.68 O +ATOM 2569 CB THR B 20 -22.117 34.741 72.794 1.00 36.36 C +ATOM 2570 OG1 THR B 20 -21.780 33.402 72.350 1.00 35.72 O +ATOM 2571 CG2 THR B 20 -21.501 35.702 71.827 1.00 38.21 C +ATOM 2572 N SER B 21 -20.207 36.816 74.912 1.00 23.30 N +ATOM 2573 CA SER B 21 -19.903 38.175 75.391 1.00 23.60 C +ATOM 2574 C SER B 21 -18.834 38.881 74.574 1.00 21.34 C +ATOM 2575 O SER B 21 -17.977 38.257 73.956 1.00 22.83 O +ATOM 2576 CB SER B 21 -19.458 38.153 76.828 1.00 24.34 C +ATOM 2577 OG SER B 21 -18.253 37.423 76.982 1.00 29.04 O +ATOM 2578 N LEU B 22 -18.916 40.207 74.561 1.00 18.50 N +ATOM 2579 CA LEU B 22 -17.883 41.067 73.951 1.00 17.91 C +ATOM 2580 C LEU B 22 -17.455 42.073 75.011 1.00 21.45 C +ATOM 2581 O LEU B 22 -18.298 42.789 75.616 1.00 19.53 O +ATOM 2582 CB LEU B 22 -18.440 41.793 72.733 1.00 19.40 C +ATOM 2583 CG LEU B 22 -17.455 42.687 71.975 1.00 20.67 C +ATOM 2584 CD1 LEU B 22 -16.244 41.887 71.428 1.00 21.30 C +ATOM 2585 CD2 LEU B 22 -18.207 43.427 70.899 1.00 22.41 C +ATOM 2586 N GLU B 23 -16.153 42.125 75.276 1.00 18.50 N +ATOM 2587 CA GLU B 23 -15.530 43.076 76.151 1.00 21.66 C +ATOM 2588 C GLU B 23 -14.675 44.014 75.367 1.00 21.18 C +ATOM 2589 O GLU B 23 -13.826 43.533 74.592 1.00 21.43 O +ATOM 2590 CB GLU B 23 -14.685 42.334 77.163 1.00 21.32 C +ATOM 2591 CG GLU B 23 -15.531 41.648 78.205 1.00 28.82 C +ATOM 2592 CD GLU B 23 -14.804 40.616 79.086 1.00 37.43 C +ATOM 2593 OE1 GLU B 23 -13.622 40.736 79.395 1.00 36.18 O +ATOM 2594 OE2 GLU B 23 -15.453 39.667 79.496 1.00 42.91 O +ATOM 2595 N VAL B 24 -14.792 45.335 75.551 1.00 19.35 N +ATOM 2596 CA VAL B 24 -13.934 46.328 75.000 1.00 19.34 C +ATOM 2597 C VAL B 24 -13.084 46.828 76.110 1.00 23.50 C +ATOM 2598 O VAL B 24 -13.598 47.224 77.202 1.00 22.07 O +ATOM 2599 CB VAL B 24 -14.695 47.521 74.395 1.00 20.41 C +ATOM 2600 CG1 VAL B 24 -13.730 48.620 73.925 1.00 22.48 C +ATOM 2601 CG2 VAL B 24 -15.570 47.043 73.265 1.00 21.37 C +ATOM 2602 N GLY B 25 -11.793 46.748 75.926 1.00 19.64 N +ATOM 2603 CA GLY B 25 -10.827 47.077 76.929 1.00 18.24 C +ATOM 2604 C GLY B 25 -9.695 47.883 76.376 1.00 17.85 C +ATOM 2605 O GLY B 25 -9.718 48.345 75.250 1.00 17.72 O +ATOM 2606 N GLY B 26 -8.670 48.090 77.176 1.00 15.41 N +ATOM 2607 CA GLY B 26 -7.544 48.860 76.790 1.00 16.07 C +ATOM 2608 C GLY B 26 -7.243 49.968 77.792 1.00 15.96 C +ATOM 2609 O GLY B 26 -7.719 49.920 78.964 1.00 16.62 O +ATOM 2610 N ARG B 27 -6.507 50.894 77.363 1.00 14.61 N +ATOM 2611 CA ARG B 27 -6.149 52.054 78.228 1.00 16.79 C +ATOM 2612 C ARG B 27 -5.845 53.294 77.450 1.00 17.38 C +ATOM 2613 O ARG B 27 -5.491 53.310 76.251 1.00 16.19 O +ATOM 2614 CB ARG B 27 -4.904 51.691 79.067 1.00 15.38 C +ATOM 2615 CG ARG B 27 -3.583 51.607 78.322 1.00 15.90 C +ATOM 2616 CD ARG B 27 -2.339 51.080 78.988 1.00 16.79 C +ATOM 2617 NE ARG B 27 -2.423 49.655 79.253 1.00 15.32 N +ATOM 2618 CZ ARG B 27 -1.483 48.987 79.939 1.00 15.59 C +ATOM 2619 NH1 ARG B 27 -0.453 49.615 80.407 1.00 16.55 N +ATOM 2620 NH2 ARG B 27 -1.581 47.680 80.141 1.00 16.54 N +ATOM 2621 N ALA B 28 -5.916 54.404 78.199 1.00 15.11 N +ATOM 2622 CA ALA B 28 -5.306 55.626 77.812 1.00 15.75 C +ATOM 2623 C ALA B 28 -4.329 55.985 78.900 1.00 17.67 C +ATOM 2624 O ALA B 28 -4.732 56.229 80.042 1.00 17.56 O +ATOM 2625 CB ALA B 28 -6.333 56.746 77.561 1.00 18.90 C +ATOM 2626 N GLU B 29 -3.071 55.900 78.563 1.00 14.88 N +ATOM 2627 CA GLU B 29 -1.989 55.950 79.556 1.00 16.47 C +ATOM 2628 C GLU B 29 -1.073 57.105 79.204 1.00 17.30 C +ATOM 2629 O GLU B 29 -0.186 57.015 78.328 1.00 16.92 O +ATOM 2630 CB GLU B 29 -1.224 54.643 79.731 1.00 19.03 C +ATOM 2631 CG GLU B 29 -0.320 54.674 80.924 1.00 20.98 C +ATOM 2632 CD GLU B 29 0.299 53.322 81.240 1.00 23.59 C +ATOM 2633 OE1 GLU B 29 0.305 52.408 80.352 1.00 19.12 O +ATOM 2634 OE2 GLU B 29 0.831 53.166 82.357 1.00 22.75 O +ATOM 2635 N ALA B 30 -1.208 58.198 79.969 1.00 16.77 N +ATOM 2636 CA ALA B 30 -0.326 59.365 79.807 1.00 16.99 C +ATOM 2637 C ALA B 30 0.971 59.092 80.552 1.00 17.60 C +ATOM 2638 O ALA B 30 0.866 58.684 81.736 1.00 18.54 O +ATOM 2639 CB ALA B 30 -1.004 60.600 80.354 1.00 19.03 C +ATOM 2640 N ARG B 31 2.102 59.244 79.890 1.00 15.51 N +ATOM 2641 CA ARG B 31 3.442 58.907 80.474 1.00 16.10 C +ATOM 2642 C ARG B 31 4.420 59.930 80.076 1.00 17.26 C +ATOM 2643 O ARG B 31 4.742 60.143 78.894 1.00 18.20 O +ATOM 2644 CB ARG B 31 3.936 57.513 80.073 1.00 16.53 C +ATOM 2645 CG ARG B 31 2.948 56.470 80.311 1.00 15.88 C +ATOM 2646 CD ARG B 31 3.453 55.014 80.205 1.00 17.15 C +ATOM 2647 NE ARG B 31 4.033 54.777 78.906 1.00 17.55 N +ATOM 2648 CZ ARG B 31 4.837 53.763 78.572 1.00 19.87 C +ATOM 2649 NH1 ARG B 31 5.057 52.776 79.458 1.00 20.53 N +ATOM 2650 NH2 ARG B 31 5.268 53.680 77.314 1.00 20.90 N +ATOM 2651 N LEU B 32 4.926 60.713 81.058 1.00 16.88 N +ATOM 2652 CA LEU B 32 6.005 61.665 80.842 1.00 18.48 C +ATOM 2653 C LEU B 32 7.316 61.059 81.370 1.00 20.86 C +ATOM 2654 O LEU B 32 7.366 60.618 82.537 1.00 19.27 O +ATOM 2655 CB LEU B 32 5.721 62.952 81.592 1.00 20.92 C +ATOM 2656 CG LEU B 32 6.822 64.000 81.740 1.00 23.07 C +ATOM 2657 CD1 LEU B 32 7.120 64.648 80.485 1.00 25.22 C +ATOM 2658 CD2 LEU B 32 6.309 65.090 82.725 1.00 26.72 C +ATOM 2659 N SER B 33 8.326 61.017 80.532 1.00 18.61 N +ATOM 2660 CA SER B 33 9.625 60.509 80.855 1.00 17.28 C +ATOM 2661 C SER B 33 10.553 61.693 80.918 1.00 18.67 C +ATOM 2662 O SER B 33 10.696 62.498 79.971 1.00 17.99 O +ATOM 2663 CB SER B 33 10.123 59.544 79.767 1.00 19.26 C +ATOM 2664 OG SER B 33 11.512 59.367 79.766 1.00 17.08 O +ATOM 2665 N LEU B 34 11.324 61.765 82.019 1.00 18.02 N +ATOM 2666 CA LEU B 34 12.301 62.828 82.173 1.00 20.49 C +ATOM 2667 C LEU B 34 13.641 62.205 82.427 1.00 20.92 C +ATOM 2668 O LEU B 34 13.838 61.430 83.414 1.00 20.98 O +ATOM 2669 CB LEU B 34 11.910 63.701 83.366 1.00 21.09 C +ATOM 2670 CG LEU B 34 10.724 64.600 83.138 1.00 26.51 C +ATOM 2671 CD1 LEU B 34 10.068 64.988 84.473 1.00 32.20 C +ATOM 2672 CD2 LEU B 34 11.160 65.810 82.382 1.00 30.88 C +ATOM 2673 N LYS B 35 14.586 62.557 81.561 1.00 19.65 N +ATOM 2674 CA LYS B 35 16.009 62.144 81.636 1.00 20.41 C +ATOM 2675 C LYS B 35 16.847 63.370 81.451 1.00 22.06 C +ATOM 2676 O LYS B 35 16.644 64.101 80.480 1.00 23.32 O +ATOM 2677 CB LYS B 35 16.407 61.109 80.586 1.00 21.44 C +ATOM 2678 CG LYS B 35 15.606 59.836 80.640 1.00 22.77 C +ATOM 2679 CD LYS B 35 16.126 58.757 79.680 1.00 23.70 C +ATOM 2680 CE LYS B 35 15.235 57.548 79.698 1.00 29.78 C +ATOM 2681 NZ LYS B 35 15.932 56.481 78.910 1.00 36.99 N +ATOM 2682 N ASP B 36 17.802 63.613 82.372 1.00 23.85 N +ATOM 2683 CA ASP B 36 18.693 64.780 82.267 1.00 24.39 C +ATOM 2684 C ASP B 36 17.872 66.053 82.080 1.00 23.52 C +ATOM 2685 O ASP B 36 18.212 66.978 81.306 1.00 26.26 O +ATOM 2686 CB ASP B 36 19.739 64.579 81.140 1.00 29.08 C +ATOM 2687 CG ASP B 36 20.893 65.588 81.208 1.00 36.68 C +ATOM 2688 OD1 ASP B 36 21.286 65.971 82.332 1.00 32.40 O +ATOM 2689 OD2 ASP B 36 21.356 66.018 80.126 1.00 41.28 O +ATOM 2690 N GLY B 37 16.755 66.092 82.771 1.00 25.00 N +ATOM 2691 CA GLY B 37 15.847 67.199 82.712 1.00 27.88 C +ATOM 2692 C GLY B 37 15.017 67.392 81.455 1.00 28.20 C +ATOM 2693 O GLY B 37 14.367 68.396 81.318 1.00 28.37 O +ATOM 2694 N LYS B 38 15.068 66.431 80.535 1.00 25.63 N +ATOM 2695 CA LYS B 38 14.497 66.617 79.216 1.00 22.69 C +ATOM 2696 C LYS B 38 13.345 65.631 79.065 1.00 19.49 C +ATOM 2697 O LYS B 38 13.454 64.440 79.340 1.00 19.19 O +ATOM 2698 CB LYS B 38 15.539 66.367 78.093 1.00 24.11 C +ATOM 2699 CG LYS B 38 16.963 66.955 78.164 1.00 31.20 C +ATOM 2700 CD LYS B 38 17.093 68.396 77.885 1.00 38.12 C +ATOM 2701 CE LYS B 38 18.590 68.798 78.030 1.00 39.25 C +ATOM 2702 NZ LYS B 38 19.110 68.625 79.437 1.00 36.99 N +ATOM 2703 N ALA B 39 12.205 66.135 78.563 1.00 19.21 N +ATOM 2704 CA ALA B 39 10.952 65.380 78.543 1.00 18.14 C +ATOM 2705 C ALA B 39 10.680 64.683 77.254 1.00 17.52 C +ATOM 2706 O ALA B 39 10.824 65.277 76.193 1.00 18.23 O +ATOM 2707 CB ALA B 39 9.811 66.357 78.739 1.00 18.55 C +ATOM 2708 N GLN B 40 10.175 63.465 77.410 1.00 17.11 N +ATOM 2709 CA GLN B 40 9.601 62.677 76.279 1.00 17.32 C +ATOM 2710 C GLN B 40 8.251 62.176 76.599 1.00 17.66 C +ATOM 2711 O GLN B 40 7.966 61.667 77.668 1.00 17.86 O +ATOM 2712 CB GLN B 40 10.590 61.554 75.849 1.00 18.06 C +ATOM 2713 CG GLN B 40 10.039 60.637 74.755 1.00 18.15 C +ATOM 2714 CD GLN B 40 11.152 59.835 74.115 1.00 22.27 C +ATOM 2715 OE1 GLN B 40 12.027 60.387 73.449 1.00 22.53 O +ATOM 2716 NE2 GLN B 40 11.034 58.531 74.231 1.00 22.28 N +ATOM 2717 N ASP B 41 7.331 62.308 75.636 1.00 15.90 N +ATOM 2718 CA ASP B 41 5.988 61.827 75.735 1.00 17.71 C +ATOM 2719 C ASP B 41 5.998 60.384 75.330 1.00 17.48 C +ATOM 2720 O ASP B 41 6.067 60.034 74.096 1.00 16.59 O +ATOM 2721 CB ASP B 41 5.019 62.637 74.865 1.00 16.76 C +ATOM 2722 CG ASP B 41 3.610 62.267 75.045 1.00 17.56 C +ATOM 2723 OD1 ASP B 41 3.264 61.231 75.636 1.00 15.47 O +ATOM 2724 OD2 ASP B 41 2.672 63.027 74.616 1.00 16.64 O +ATOM 2725 N ASN B 42 5.853 59.523 76.312 1.00 16.96 N +ATOM 2726 CA ASN B 42 5.739 58.068 76.041 1.00 16.22 C +ATOM 2727 C ASN B 42 4.325 57.557 76.244 1.00 15.75 C +ATOM 2728 O ASN B 42 4.063 56.362 76.547 1.00 17.32 O +ATOM 2729 CB ASN B 42 6.740 57.266 76.913 1.00 18.02 C +ATOM 2730 CG ASN B 42 8.160 57.455 76.548 1.00 16.86 C +ATOM 2731 OD1 ASN B 42 8.548 57.744 75.403 1.00 20.05 O +ATOM 2732 ND2 ASN B 42 9.056 57.120 77.527 1.00 18.66 N +ATOM 2733 N SER B 43 3.342 58.443 76.130 1.00 14.47 N +ATOM 2734 CA SER B 43 1.972 58.085 76.279 1.00 14.83 C +ATOM 2735 C SER B 43 1.516 56.997 75.277 1.00 14.87 C +ATOM 2736 O SER B 43 2.137 56.960 74.198 1.00 16.86 O +ATOM 2737 CB SER B 43 0.988 59.270 76.214 1.00 16.16 C +ATOM 2738 OG SER B 43 1.409 60.292 77.130 1.00 16.26 O +ATOM 2739 N ARG B 44 0.571 56.181 75.633 1.00 15.62 N +ATOM 2740 CA ARG B 44 0.061 55.143 74.725 1.00 17.66 C +ATOM 2741 C ARG B 44 -1.345 54.902 74.974 1.00 18.13 C +ATOM 2742 O ARG B 44 -1.842 54.960 76.113 1.00 17.30 O +ATOM 2743 CB ARG B 44 0.911 53.864 74.846 1.00 19.30 C +ATOM 2744 CG ARG B 44 0.900 53.326 76.291 1.00 20.87 C +ATOM 2745 CD ARG B 44 1.961 52.281 76.504 1.00 27.03 C +ATOM 2746 NE ARG B 44 1.922 51.832 77.863 1.00 23.52 N +ATOM 2747 CZ ARG B 44 2.658 50.836 78.319 1.00 25.65 C +ATOM 2748 NH1 ARG B 44 3.567 50.245 77.555 1.00 29.66 N +ATOM 2749 NH2 ARG B 44 2.546 50.462 79.555 1.00 24.47 N +ATOM 2750 N VAL B 45 -2.083 54.573 73.922 1.00 15.75 N +ATOM 2751 CA VAL B 45 -3.345 54.037 74.058 1.00 14.53 C +ATOM 2752 C VAL B 45 -3.309 52.558 73.634 1.00 14.76 C +ATOM 2753 O VAL B 45 -2.591 52.212 72.654 1.00 15.29 O +ATOM 2754 CB VAL B 45 -4.401 54.786 73.157 1.00 14.85 C +ATOM 2755 CG1 VAL B 45 -5.628 53.981 72.820 1.00 16.26 C +ATOM 2756 CG2 VAL B 45 -4.729 56.147 73.826 1.00 15.36 C +ATOM 2757 N ARG B 46 -4.104 51.764 74.294 1.00 13.26 N +ATOM 2758 CA ARG B 46 -4.507 50.402 73.850 1.00 14.72 C +ATOM 2759 C ARG B 46 -5.960 50.297 73.670 1.00 17.27 C +ATOM 2760 O ARG B 46 -6.762 50.787 74.458 1.00 15.52 O +ATOM 2761 CB ARG B 46 -3.982 49.280 74.776 1.00 16.68 C +ATOM 2762 CG ARG B 46 -2.525 49.235 74.788 1.00 16.93 C +ATOM 2763 CD ARG B 46 -1.990 48.096 75.705 1.00 17.15 C +ATOM 2764 NE ARG B 46 -0.518 48.150 75.641 1.00 16.05 N +ATOM 2765 CZ ARG B 46 0.283 47.403 76.404 1.00 17.29 C +ATOM 2766 NH1 ARG B 46 -0.259 46.558 77.226 1.00 18.80 N +ATOM 2767 NH2 ARG B 46 1.584 47.549 76.324 1.00 18.40 N +ATOM 2768 N LEU B 47 -6.404 49.567 72.621 1.00 14.40 N +ATOM 2769 CA LEU B 47 -7.754 49.218 72.404 1.00 16.59 C +ATOM 2770 C LEU B 47 -7.785 47.749 72.227 1.00 15.73 C +ATOM 2771 O LEU B 47 -6.971 47.193 71.428 1.00 15.63 O +ATOM 2772 CB LEU B 47 -8.320 49.872 71.163 1.00 17.20 C +ATOM 2773 CG LEU B 47 -8.372 51.403 71.090 1.00 19.76 C +ATOM 2774 CD1 LEU B 47 -8.884 51.810 69.692 1.00 21.28 C +ATOM 2775 CD2 LEU B 47 -9.187 52.008 72.221 1.00 19.50 C +ATOM 2776 N ASN B 48 -8.662 47.075 72.930 1.00 14.90 N +ATOM 2777 CA ASN B 48 -8.826 45.666 72.761 1.00 16.52 C +ATOM 2778 C ASN B 48 -10.190 45.128 72.788 1.00 16.63 C +ATOM 2779 O ASN B 48 -11.096 45.824 73.247 1.00 16.34 O +ATOM 2780 CB ASN B 48 -7.869 44.905 73.661 1.00 15.60 C +ATOM 2781 CG ASN B 48 -8.212 44.989 75.138 1.00 17.24 C +ATOM 2782 OD1 ASN B 48 -9.366 44.901 75.532 1.00 20.99 O +ATOM 2783 ND2 ASN B 48 -7.147 45.081 75.957 1.00 20.68 N +ATOM 2784 N PHE B 49 -10.389 43.975 72.143 1.00 13.48 N +ATOM 2785 CA PHE B 49 -11.697 43.412 71.924 1.00 15.89 C +ATOM 2786 C PHE B 49 -11.529 41.947 72.224 1.00 16.71 C +ATOM 2787 O PHE B 49 -10.690 41.255 71.584 1.00 16.64 O +ATOM 2788 CB PHE B 49 -12.209 43.659 70.465 1.00 15.44 C +ATOM 2789 CG PHE B 49 -12.334 45.108 70.126 1.00 15.09 C +ATOM 2790 CD1 PHE B 49 -11.211 45.839 69.861 1.00 15.99 C +ATOM 2791 CD2 PHE B 49 -13.521 45.718 70.114 1.00 19.18 C +ATOM 2792 CE1 PHE B 49 -11.237 47.214 69.581 1.00 19.06 C +ATOM 2793 CE2 PHE B 49 -13.588 47.092 69.884 1.00 20.19 C +ATOM 2794 CZ PHE B 49 -12.463 47.827 69.579 1.00 21.81 C +ATOM 2795 N LEU B 50 -12.292 41.454 73.203 1.00 15.89 N +ATOM 2796 CA LEU B 50 -12.279 40.038 73.630 1.00 15.94 C +ATOM 2797 C LEU B 50 -13.629 39.474 73.500 1.00 18.37 C +ATOM 2798 O LEU B 50 -14.602 40.003 74.153 1.00 19.23 O +ATOM 2799 CB LEU B 50 -11.857 39.949 75.109 1.00 17.97 C +ATOM 2800 CG LEU B 50 -11.813 38.537 75.678 1.00 18.61 C +ATOM 2801 CD1 LEU B 50 -10.811 37.624 74.996 1.00 22.22 C +ATOM 2802 CD2 LEU B 50 -11.458 38.591 77.190 1.00 24.20 C +ATOM 2803 N GLY B 51 -13.771 38.474 72.637 1.00 17.83 N +ATOM 2804 CA GLY B 51 -14.971 37.785 72.441 1.00 18.37 C +ATOM 2805 C GLY B 51 -14.841 36.441 73.087 1.00 20.07 C +ATOM 2806 O GLY B 51 -13.847 35.759 72.940 1.00 17.72 O +ATOM 2807 N LYS B 52 -15.926 36.010 73.745 1.00 20.76 N +ATOM 2808 CA LYS B 52 -15.997 34.662 74.285 1.00 21.36 C +ATOM 2809 C LYS B 52 -17.354 34.048 74.057 1.00 23.72 C +ATOM 2810 O LYS B 52 -18.366 34.725 74.374 1.00 26.25 O +ATOM 2811 CB LYS B 52 -15.708 34.701 75.805 1.00 26.41 C +ATOM 2812 CG LYS B 52 -15.479 33.335 76.473 1.00 33.68 C +ATOM 2813 CD LYS B 52 -15.212 33.450 77.991 1.00 39.36 C +ATOM 2814 CE LYS B 52 -14.810 32.087 78.574 1.00 46.65 C +ATOM 2815 NZ LYS B 52 -15.094 31.935 80.027 1.00 49.36 N +ATOM 2816 N ALA B 53 -17.399 32.810 73.588 1.00 19.49 N +ATOM 2817 CA ALA B 53 -18.604 32.054 73.242 1.00 23.46 C +ATOM 2818 C ALA B 53 -18.555 30.767 74.038 1.00 27.27 C +ATOM 2819 O ALA B 53 -17.839 29.830 73.735 1.00 22.23 O +ATOM 2820 CB ALA B 53 -18.689 31.718 71.774 1.00 23.67 C +ATOM 2821 N GLU B 54 -19.297 30.752 75.118 1.00 25.73 N +ATOM 2822 CA GLU B 54 -19.527 29.493 75.821 1.00 28.71 C +ATOM 2823 C GLU B 54 -20.236 28.511 74.933 1.00 22.32 C +ATOM 2824 O GLU B 54 -21.302 28.806 74.376 1.00 25.58 O +ATOM 2825 CB GLU B 54 -20.380 29.735 77.102 1.00 32.43 C +ATOM 2826 CG GLU B 54 -19.625 30.488 78.183 1.00 37.85 C +ATOM 2827 CD GLU B 54 -20.432 30.620 79.485 1.00 46.10 C +ATOM 2828 OE1 GLU B 54 -21.379 29.843 79.723 1.00 49.62 O +ATOM 2829 OE2 GLU B 54 -20.127 31.540 80.252 1.00 54.54 O +ATOM 2830 N ILE B 55 -19.652 27.309 74.800 1.00 22.21 N +ATOM 2831 CA ILE B 55 -20.207 26.289 73.951 1.00 22.80 C +ATOM 2832 C ILE B 55 -20.962 25.266 74.797 1.00 27.42 C +ATOM 2833 O ILE B 55 -22.084 24.891 74.460 1.00 32.89 O +ATOM 2834 CB ILE B 55 -19.088 25.621 73.136 1.00 25.53 C +ATOM 2835 CG1 ILE B 55 -18.398 26.643 72.204 1.00 24.64 C +ATOM 2836 CG2 ILE B 55 -19.568 24.472 72.259 1.00 30.40 C +ATOM 2837 CD1 ILE B 55 -17.014 26.244 71.774 1.00 26.29 C +ATOM 2838 N ASN B 56 -20.382 24.912 75.914 1.00 31.08 N +ATOM 2839 CA ASN B 56 -21.080 24.178 76.977 1.00 34.78 C +ATOM 2840 C ASN B 56 -20.378 24.500 78.277 1.00 41.12 C +ATOM 2841 O ASN B 56 -19.430 25.345 78.341 1.00 38.33 O +ATOM 2842 CB ASN B 56 -21.103 22.695 76.663 1.00 31.80 C +ATOM 2843 CG ASN B 56 -19.728 22.068 76.589 1.00 30.77 C +ATOM 2844 OD1 ASN B 56 -18.870 22.270 77.444 1.00 37.98 O +ATOM 2845 ND2 ASN B 56 -19.511 21.323 75.571 1.00 33.18 N +ATOM 2846 N ASP B 57 -20.791 23.818 79.353 1.00 43.15 N +ATOM 2847 CA ASP B 57 -20.105 23.986 80.640 1.00 46.92 C +ATOM 2848 C ASP B 57 -18.576 23.892 80.625 1.00 42.56 C +ATOM 2849 O ASP B 57 -17.935 24.612 81.369 1.00 48.35 O +ATOM 2850 CB ASP B 57 -20.658 22.982 81.683 1.00 54.78 C +ATOM 2851 CG ASP B 57 -22.015 23.384 82.208 1.00 65.95 C +ATOM 2852 OD1 ASP B 57 -22.293 24.605 82.278 1.00 71.21 O +ATOM 2853 OD2 ASP B 57 -22.804 22.478 82.558 1.00 70.57 O +ATOM 2854 N SER B 58 -18.025 23.021 79.788 1.00 39.87 N +ATOM 2855 CA SER B 58 -16.619 22.662 79.802 1.00 38.54 C +ATOM 2856 C SER B 58 -15.837 23.126 78.536 1.00 35.83 C +ATOM 2857 O SER B 58 -14.761 22.637 78.273 1.00 36.01 O +ATOM 2858 CB SER B 58 -16.554 21.125 79.886 1.00 41.54 C +ATOM 2859 OG SER B 58 -17.026 20.510 78.683 1.00 46.38 O +ATOM 2860 N LEU B 59 -16.413 24.026 77.760 1.00 30.01 N +ATOM 2861 CA LEU B 59 -15.881 24.314 76.355 1.00 26.64 C +ATOM 2862 C LEU B 59 -16.304 25.726 75.978 1.00 22.29 C +ATOM 2863 O LEU B 59 -17.477 26.092 76.047 1.00 21.55 O +ATOM 2864 CB LEU B 59 -16.384 23.343 75.306 1.00 26.93 C +ATOM 2865 CG LEU B 59 -15.636 23.240 73.953 1.00 30.01 C +ATOM 2866 CD1 LEU B 59 -14.166 22.842 74.102 1.00 32.31 C +ATOM 2867 CD2 LEU B 59 -16.326 22.405 72.854 1.00 32.18 C +ATOM 2868 N TYR B 60 -15.363 26.478 75.445 1.00 22.23 N +ATOM 2869 CA TYR B 60 -15.649 27.829 74.955 1.00 20.32 C +ATOM 2870 C TYR B 60 -14.652 28.179 73.841 1.00 19.81 C +ATOM 2871 O TYR B 60 -13.611 27.599 73.702 1.00 20.87 O +ATOM 2872 CB TYR B 60 -15.505 28.859 76.086 1.00 22.45 C +ATOM 2873 CG TYR B 60 -14.105 28.926 76.678 1.00 23.19 C +ATOM 2874 CD1 TYR B 60 -13.157 29.776 76.150 1.00 23.09 C +ATOM 2875 CD2 TYR B 60 -13.732 28.139 77.766 1.00 25.62 C +ATOM 2876 CE1 TYR B 60 -11.862 29.808 76.611 1.00 23.44 C +ATOM 2877 CE2 TYR B 60 -12.446 28.200 78.301 1.00 27.55 C +ATOM 2878 CZ TYR B 60 -11.506 29.019 77.706 1.00 24.82 C +ATOM 2879 OH TYR B 60 -10.239 29.170 78.155 1.00 27.54 O +ATOM 2880 N GLY B 61 -15.067 29.131 73.021 1.00 20.34 N +ATOM 2881 CA GLY B 61 -14.107 29.742 72.087 1.00 20.48 C +ATOM 2882 C GLY B 61 -13.808 31.169 72.454 1.00 18.50 C +ATOM 2883 O GLY B 61 -14.649 31.836 73.125 1.00 19.57 O +ATOM 2884 N VAL B 62 -12.676 31.660 71.937 1.00 17.61 N +ATOM 2885 CA VAL B 62 -12.266 32.984 72.214 1.00 18.49 C +ATOM 2886 C VAL B 62 -11.665 33.595 70.949 1.00 17.39 C +ATOM 2887 O VAL B 62 -11.026 32.921 70.157 1.00 16.97 O +ATOM 2888 CB VAL B 62 -11.289 33.019 73.420 1.00 21.62 C +ATOM 2889 CG1 VAL B 62 -10.049 32.228 73.120 1.00 23.12 C +ATOM 2890 CG2 VAL B 62 -10.874 34.389 73.879 1.00 27.10 C +ATOM 2891 N GLY B 63 -11.817 34.903 70.893 1.00 18.48 N +ATOM 2892 CA GLY B 63 -11.128 35.727 69.876 1.00 18.85 C +ATOM 2893 C GLY B 63 -10.599 36.990 70.572 1.00 17.20 C +ATOM 2894 O GLY B 63 -11.315 37.630 71.372 1.00 16.61 O +ATOM 2895 N PHE B 64 -9.376 37.417 70.219 1.00 14.47 N +ATOM 2896 CA PHE B 64 -8.798 38.584 70.815 1.00 15.80 C +ATOM 2897 C PHE B 64 -7.964 39.378 69.856 1.00 15.46 C +ATOM 2898 O PHE B 64 -7.157 38.828 69.048 1.00 16.14 O +ATOM 2899 CB PHE B 64 -7.929 38.191 72.007 1.00 15.23 C +ATOM 2900 CG PHE B 64 -7.481 39.337 72.838 1.00 15.91 C +ATOM 2901 CD1 PHE B 64 -8.387 40.120 73.573 1.00 16.60 C +ATOM 2902 CD2 PHE B 64 -6.156 39.639 72.901 1.00 17.72 C +ATOM 2903 CE1 PHE B 64 -7.907 41.170 74.354 1.00 16.99 C +ATOM 2904 CE2 PHE B 64 -5.686 40.705 73.630 1.00 17.81 C +ATOM 2905 CZ PHE B 64 -6.570 41.444 74.385 1.00 16.81 C +ATOM 2906 N TYR B 65 -8.171 40.687 69.959 1.00 13.56 N +ATOM 2907 CA TYR B 65 -7.327 41.687 69.306 1.00 13.51 C +ATOM 2908 C TYR B 65 -6.866 42.729 70.325 1.00 13.61 C +ATOM 2909 O TYR B 65 -7.744 43.204 71.098 1.00 14.49 O +ATOM 2910 CB TYR B 65 -8.112 42.423 68.162 1.00 13.50 C +ATOM 2911 CG TYR B 65 -7.351 43.570 67.634 1.00 13.42 C +ATOM 2912 CD1 TYR B 65 -6.276 43.409 66.798 1.00 12.50 C +ATOM 2913 CD2 TYR B 65 -7.659 44.906 67.949 1.00 12.74 C +ATOM 2914 CE1 TYR B 65 -5.455 44.437 66.384 1.00 13.19 C +ATOM 2915 CE2 TYR B 65 -6.884 45.940 67.511 1.00 12.37 C +ATOM 2916 CZ TYR B 65 -5.763 45.763 66.729 1.00 12.58 C +ATOM 2917 OH TYR B 65 -4.944 46.751 66.306 1.00 13.20 O +ATOM 2918 N GLU B 66 -5.627 43.173 70.200 1.00 12.32 N +ATOM 2919 CA GLU B 66 -5.190 44.388 70.848 1.00 13.51 C +ATOM 2920 C GLU B 66 -4.298 45.159 70.008 1.00 14.81 C +ATOM 2921 O GLU B 66 -3.354 44.638 69.450 1.00 13.84 O +ATOM 2922 CB GLU B 66 -4.517 44.060 72.197 1.00 14.98 C +ATOM 2923 CG GLU B 66 -3.913 45.284 72.914 1.00 14.26 C +ATOM 2924 CD GLU B 66 -3.404 44.900 74.308 1.00 17.05 C +ATOM 2925 OE1 GLU B 66 -2.189 44.661 74.438 1.00 17.02 O +ATOM 2926 OE2 GLU B 66 -4.294 44.782 75.212 1.00 18.68 O +ATOM 2927 N GLY B 67 -4.591 46.446 69.877 1.00 13.91 N +ATOM 2928 CA GLY B 67 -3.735 47.400 69.300 1.00 12.79 C +ATOM 2929 C GLY B 67 -3.195 48.426 70.271 1.00 13.11 C +ATOM 2930 O GLY B 67 -3.905 48.790 71.191 1.00 15.29 O +ATOM 2931 N GLU B 68 -2.051 48.903 69.963 1.00 13.50 N +ATOM 2932 CA GLU B 68 -1.406 50.022 70.679 1.00 13.58 C +ATOM 2933 C GLU B 68 -1.135 51.156 69.694 1.00 15.00 C +ATOM 2934 O GLU B 68 -0.653 50.973 68.580 1.00 13.93 O +ATOM 2935 CB GLU B 68 -0.147 49.562 71.372 1.00 14.42 C +ATOM 2936 CG GLU B 68 0.532 50.677 72.218 1.00 15.67 C +ATOM 2937 CD GLU B 68 1.669 50.118 73.075 1.00 18.10 C +ATOM 2938 OE1 GLU B 68 2.785 50.184 72.613 1.00 20.15 O +ATOM 2939 OE2 GLU B 68 1.354 49.549 74.116 1.00 18.41 O +ATOM 2940 N PHE B 69 -1.490 52.395 70.155 1.00 14.34 N +ATOM 2941 CA PHE B 69 -1.500 53.621 69.358 1.00 13.53 C +ATOM 2942 C PHE B 69 -0.695 54.700 70.074 1.00 14.44 C +ATOM 2943 O PHE B 69 -0.958 54.902 71.310 1.00 15.74 O +ATOM 2944 CB PHE B 69 -2.944 54.089 69.215 1.00 14.87 C +ATOM 2945 CG PHE B 69 -3.873 53.056 68.612 1.00 14.10 C +ATOM 2946 CD1 PHE B 69 -4.455 52.024 69.364 1.00 15.21 C +ATOM 2947 CD2 PHE B 69 -4.207 53.127 67.265 1.00 13.40 C +ATOM 2948 CE1 PHE B 69 -5.351 51.102 68.814 1.00 15.53 C +ATOM 2949 CE2 PHE B 69 -5.045 52.203 66.722 1.00 14.72 C +ATOM 2950 CZ PHE B 69 -5.637 51.214 67.443 1.00 15.37 C +ATOM 2951 N THR B 70 0.180 55.370 69.394 1.00 13.49 N +ATOM 2952 CA THR B 70 0.994 56.401 69.935 1.00 13.76 C +ATOM 2953 C THR B 70 1.133 57.588 69.043 1.00 15.22 C +ATOM 2954 O THR B 70 0.734 57.552 67.841 1.00 15.62 O +ATOM 2955 CB THR B 70 2.407 55.885 70.301 1.00 16.38 C +ATOM 2956 OG1 THR B 70 3.120 55.507 69.108 1.00 18.20 O +ATOM 2957 CG2 THR B 70 2.417 54.657 71.200 1.00 17.16 C +ATOM 2958 N THR B 71 1.726 58.646 69.579 1.00 14.37 N +ATOM 2959 CA THR B 71 2.062 59.838 68.741 1.00 14.41 C +ATOM 2960 C THR B 71 3.537 60.160 68.863 1.00 15.63 C +ATOM 2961 O THR B 71 4.199 59.806 69.897 1.00 16.96 O +ATOM 2962 CB THR B 71 1.157 61.085 69.094 1.00 15.50 C +ATOM 2963 OG1 THR B 71 1.535 61.514 70.407 1.00 17.61 O +ATOM 2964 CG2 THR B 71 -0.264 60.822 69.086 1.00 14.86 C +ATOM 2965 N ASN B 72 4.087 60.893 67.903 1.00 15.46 N +ATOM 2966 CA ASN B 72 5.445 61.395 67.977 1.00 15.22 C +ATOM 2967 C ASN B 72 5.574 62.698 67.193 1.00 16.95 C +ATOM 2968 O ASN B 72 6.121 62.795 66.100 1.00 16.95 O +ATOM 2969 CB ASN B 72 6.453 60.380 67.479 1.00 18.04 C +ATOM 2970 CG ASN B 72 7.884 60.824 67.727 1.00 18.82 C +ATOM 2971 OD1 ASN B 72 8.173 61.494 68.743 1.00 20.75 O +ATOM 2972 ND2 ASN B 72 8.785 60.501 66.776 1.00 25.17 N +ATOM 2973 N ASP B 73 4.891 63.730 67.699 1.00 16.41 N +ATOM 2974 CA ASP B 73 4.714 64.972 66.965 1.00 17.17 C +ATOM 2975 C ASP B 73 5.978 65.760 66.816 1.00 16.32 C +ATOM 2976 O ASP B 73 6.150 66.481 65.862 1.00 17.36 O +ATOM 2977 CB ASP B 73 3.752 65.892 67.736 1.00 17.10 C +ATOM 2978 CG ASP B 73 2.329 65.524 67.586 1.00 18.31 C +ATOM 2979 OD1 ASP B 73 1.879 65.003 66.516 1.00 16.50 O +ATOM 2980 OD2 ASP B 73 1.544 65.819 68.485 1.00 16.87 O +ATOM 2981 N GLN B 74 6.862 65.698 67.809 1.00 15.97 N +ATOM 2982 CA GLN B 74 8.114 66.467 67.748 1.00 16.28 C +ATOM 2983 C GLN B 74 7.875 67.941 67.504 1.00 19.33 C +ATOM 2984 O GLN B 74 8.646 68.613 66.815 1.00 20.97 O +ATOM 2985 CB GLN B 74 9.120 65.876 66.724 1.00 17.69 C +ATOM 2986 CG GLN B 74 9.549 64.445 67.147 1.00 19.49 C +ATOM 2987 CD GLN B 74 10.383 64.407 68.444 1.00 20.18 C +ATOM 2988 OE1 GLN B 74 11.273 65.246 68.583 1.00 22.49 O +ATOM 2989 NE2 GLN B 74 10.173 63.415 69.326 1.00 19.96 N +ATOM 2990 N GLY B 75 6.824 68.451 68.117 1.00 16.40 N +ATOM 2991 CA GLY B 75 6.608 69.897 68.049 1.00 17.66 C +ATOM 2992 C GLY B 75 5.705 70.410 66.957 1.00 18.09 C +ATOM 2993 O GLY B 75 5.404 71.631 66.859 1.00 18.02 O +ATOM 2994 N LYS B 76 5.257 69.501 66.083 1.00 17.10 N +ATOM 2995 CA LYS B 76 4.249 69.870 65.061 1.00 18.28 C +ATOM 2996 C LYS B 76 2.967 69.160 65.243 1.00 18.16 C +ATOM 2997 O LYS B 76 2.956 68.025 65.771 1.00 18.78 O +ATOM 2998 CB LYS B 76 4.818 69.530 63.654 1.00 22.77 C +ATOM 2999 CG LYS B 76 6.039 70.314 63.269 1.00 27.99 C +ATOM 3000 CD LYS B 76 6.436 70.008 61.793 1.00 37.24 C +ATOM 3001 CE LYS B 76 7.488 70.995 61.275 1.00 42.84 C +ATOM 3002 NZ LYS B 76 8.750 70.883 62.059 1.00 48.11 N +ATOM 3003 N ASN B 77 1.847 69.708 64.828 1.00 16.45 N +ATOM 3004 CA ASN B 77 0.655 68.888 64.804 1.00 16.46 C +ATOM 3005 C ASN B 77 0.709 67.893 63.621 1.00 18.62 C +ATOM 3006 O ASN B 77 0.236 68.149 62.528 1.00 18.49 O +ATOM 3007 CB ASN B 77 -0.593 69.730 64.747 1.00 17.17 C +ATOM 3008 CG ASN B 77 -1.888 68.893 64.735 1.00 16.86 C +ATOM 3009 OD1 ASN B 77 -1.852 67.668 64.917 1.00 17.61 O +ATOM 3010 ND2 ASN B 77 -3.062 69.543 64.632 1.00 17.60 N +ATOM 3011 N ALA B 78 1.381 66.795 63.868 1.00 18.78 N +ATOM 3012 CA ALA B 78 1.656 65.815 62.785 1.00 16.96 C +ATOM 3013 C ALA B 78 0.514 64.821 62.650 1.00 16.43 C +ATOM 3014 O ALA B 78 -0.364 64.670 63.495 1.00 17.02 O +ATOM 3015 CB ALA B 78 2.937 65.057 63.195 1.00 17.61 C +ATOM 3016 N SER B 79 0.491 64.165 61.497 1.00 16.62 N +ATOM 3017 CA ASER B 79 -0.349 62.991 61.314 0.50 17.18 C +ATOM 3018 CA BSER B 79 -0.341 62.992 61.324 0.50 18.78 C +ATOM 3019 C SER B 79 0.496 61.832 61.906 1.00 18.33 C +ATOM 3020 O SER B 79 1.651 61.698 61.621 1.00 23.02 O +ATOM 3021 CB ASER B 79 -0.691 62.773 59.802 0.50 16.89 C +ATOM 3022 CB BSER B 79 -0.573 62.774 59.829 0.50 20.26 C +ATOM 3023 OG ASER B 79 -1.680 61.758 59.641 0.50 16.76 O +ATOM 3024 OG BSER B 79 0.699 62.799 59.239 0.50 25.98 O +ATOM 3025 N ASN B 80 -0.108 61.047 62.725 1.00 14.19 N +ATOM 3026 CA ASN B 80 0.573 59.977 63.473 1.00 15.24 C +ATOM 3027 C ASN B 80 0.005 58.626 63.173 1.00 13.24 C +ATOM 3028 O ASN B 80 -1.034 58.220 63.683 1.00 14.34 O +ATOM 3029 CB ASN B 80 0.476 60.216 64.980 1.00 14.84 C +ATOM 3030 CG ASN B 80 1.450 61.291 65.428 1.00 15.71 C +ATOM 3031 OD1 ASN B 80 2.666 61.101 65.497 1.00 16.49 O +ATOM 3032 ND2 ASN B 80 0.894 62.518 65.647 1.00 16.81 N +ATOM 3033 N ASN B 81 0.704 57.921 62.261 1.00 15.24 N +ATOM 3034 CA ASN B 81 0.276 56.554 61.888 1.00 14.76 C +ATOM 3035 C ASN B 81 1.148 55.580 62.607 1.00 19.07 C +ATOM 3036 O ASN B 81 2.224 55.217 62.071 1.00 24.46 O +ATOM 3037 CB ASN B 81 0.456 56.331 60.364 1.00 17.58 C +ATOM 3038 CG ASN B 81 -0.300 55.103 59.801 1.00 22.66 C +ATOM 3039 OD1 ASN B 81 -0.522 54.146 60.492 1.00 23.63 O +ATOM 3040 ND2 ASN B 81 -0.781 55.192 58.442 1.00 23.74 N +ATOM 3041 N SER B 82 0.896 55.455 63.888 1.00 17.90 N +ATOM 3042 CA SER B 82 1.657 54.548 64.731 1.00 16.56 C +ATOM 3043 C SER B 82 0.687 53.586 65.325 1.00 16.62 C +ATOM 3044 O SER B 82 -0.126 53.892 66.214 1.00 17.32 O +ATOM 3045 CB SER B 82 2.367 55.311 65.868 1.00 22.75 C +ATOM 3046 OG SER B 82 2.948 54.333 66.739 1.00 27.36 O +ATOM 3047 N LEU B 83 0.772 52.325 64.884 1.00 14.82 N +ATOM 3048 CA LEU B 83 -0.101 51.256 65.299 1.00 13.49 C +ATOM 3049 C LEU B 83 0.770 50.003 65.496 1.00 14.10 C +ATOM 3050 O LEU B 83 1.635 49.731 64.644 1.00 14.56 O +ATOM 3051 CB LEU B 83 -1.107 50.915 64.200 1.00 15.17 C +ATOM 3052 CG LEU B 83 -1.941 49.644 64.358 1.00 14.55 C +ATOM 3053 CD1 LEU B 83 -2.812 49.581 65.520 1.00 15.32 C +ATOM 3054 CD2 LEU B 83 -2.705 49.405 63.074 1.00 15.56 C +ATOM 3055 N ASP B 84 0.563 49.330 66.597 1.00 13.95 N +ATOM 3056 CA ASP B 84 1.138 47.970 66.778 1.00 13.67 C +ATOM 3057 C ASP B 84 0.052 47.002 67.125 1.00 13.22 C +ATOM 3058 O ASP B 84 -0.642 47.097 68.153 1.00 13.18 O +ATOM 3059 CB ASP B 84 2.157 47.980 67.924 1.00 14.39 C +ATOM 3060 CG ASP B 84 2.842 46.635 68.139 1.00 17.76 C +ATOM 3061 OD1 ASP B 84 2.720 45.750 67.272 1.00 16.50 O +ATOM 3062 OD2 ASP B 84 3.484 46.505 69.216 1.00 18.19 O +ATOM 3063 N ASN B 85 -0.216 46.007 66.228 1.00 12.49 N +ATOM 3064 CA ASN B 85 -1.110 44.943 66.465 1.00 12.13 C +ATOM 3065 C ASN B 85 -0.452 43.936 67.403 1.00 12.73 C +ATOM 3066 O ASN B 85 0.151 42.987 66.945 1.00 14.17 O +ATOM 3067 CB ASN B 85 -1.581 44.268 65.178 1.00 12.85 C +ATOM 3068 CG ASN B 85 -2.214 45.256 64.211 1.00 13.75 C +ATOM 3069 OD1 ASN B 85 -2.966 46.152 64.648 1.00 14.42 O +ATOM 3070 ND2 ASN B 85 -1.962 45.091 62.895 1.00 12.88 N +ATOM 3071 N ARG B 86 -0.671 44.128 68.686 1.00 12.91 N +ATOM 3072 CA ARG B 86 0.080 43.348 69.712 1.00 15.25 C +ATOM 3073 C ARG B 86 -0.390 41.936 69.748 1.00 13.75 C +ATOM 3074 O ARG B 86 0.410 41.058 70.047 1.00 14.35 O +ATOM 3075 CB ARG B 86 -0.105 44.015 71.071 1.00 15.69 C +ATOM 3076 CG ARG B 86 0.576 45.332 71.189 1.00 16.89 C +ATOM 3077 CD ARG B 86 0.344 46.089 72.536 1.00 17.04 C +ATOM 3078 NE ARG B 86 0.485 45.218 73.681 1.00 19.35 N +ATOM 3079 CZ ARG B 86 1.661 44.939 74.256 1.00 18.43 C +ATOM 3080 NH1 ARG B 86 2.720 45.447 73.866 1.00 17.86 N +ATOM 3081 NH2 ARG B 86 1.730 44.146 75.293 1.00 20.36 N +ATOM 3082 N TYR B 87 -1.674 41.688 69.593 1.00 14.09 N +ATOM 3083 CA TYR B 87 -2.296 40.388 69.712 1.00 13.80 C +ATOM 3084 C TYR B 87 -3.318 40.199 68.608 1.00 16.56 C +ATOM 3085 O TYR B 87 -4.132 41.107 68.344 1.00 15.32 O +ATOM 3086 CB TYR B 87 -3.034 40.143 70.998 1.00 16.13 C +ATOM 3087 CG TYR B 87 -2.231 40.053 72.270 1.00 15.54 C +ATOM 3088 CD1 TYR B 87 -1.863 41.181 72.960 1.00 17.82 C +ATOM 3089 CD2 TYR B 87 -1.906 38.818 72.777 1.00 17.21 C +ATOM 3090 CE1 TYR B 87 -1.104 41.102 74.105 1.00 18.92 C +ATOM 3091 CE2 TYR B 87 -1.163 38.732 73.971 1.00 18.29 C +ATOM 3092 CZ TYR B 87 -0.752 39.875 74.580 1.00 21.00 C +ATOM 3093 OH TYR B 87 -0.077 39.808 75.771 1.00 23.31 O +ATOM 3094 N THR B 88 -3.284 39.053 67.948 1.00 14.73 N +ATOM 3095 CA THR B 88 -4.281 38.664 66.984 1.00 15.48 C +ATOM 3096 C THR B 88 -4.444 37.178 67.054 1.00 15.03 C +ATOM 3097 O THR B 88 -3.706 36.468 66.387 1.00 16.51 O +ATOM 3098 CB THR B 88 -3.971 39.087 65.537 1.00 15.86 C +ATOM 3099 OG1 THR B 88 -2.725 38.550 65.066 1.00 18.37 O +ATOM 3100 CG2 THR B 88 -3.855 40.557 65.367 1.00 16.88 C +ATOM 3101 N TYR B 89 -5.395 36.709 67.795 1.00 14.03 N +ATOM 3102 CA TYR B 89 -5.592 35.264 67.937 1.00 14.73 C +ATOM 3103 C TYR B 89 -7.007 34.792 68.127 1.00 14.70 C +ATOM 3104 O TYR B 89 -7.885 35.539 68.498 1.00 13.82 O +ATOM 3105 CB TYR B 89 -4.656 34.742 69.077 1.00 14.73 C +ATOM 3106 CG TYR B 89 -5.090 34.992 70.524 1.00 14.91 C +ATOM 3107 CD1 TYR B 89 -6.127 34.316 71.112 1.00 16.63 C +ATOM 3108 CD2 TYR B 89 -4.465 36.007 71.247 1.00 14.99 C +ATOM 3109 CE1 TYR B 89 -6.557 34.575 72.435 1.00 14.20 C +ATOM 3110 CE2 TYR B 89 -4.834 36.224 72.576 1.00 15.39 C +ATOM 3111 CZ TYR B 89 -5.837 35.547 73.151 1.00 16.83 C +ATOM 3112 OH TYR B 89 -6.150 35.818 74.479 1.00 17.51 O +ATOM 3113 N ALA B 90 -7.194 33.482 67.863 1.00 14.42 N +ATOM 3114 CA ALA B 90 -8.434 32.822 68.249 1.00 14.40 C +ATOM 3115 C ALA B 90 -8.018 31.524 68.909 1.00 16.13 C +ATOM 3116 O ALA B 90 -6.909 31.050 68.706 1.00 15.53 O +ATOM 3117 CB ALA B 90 -9.307 32.593 67.025 1.00 16.44 C +ATOM 3118 N GLY B 91 -8.874 31.028 69.777 1.00 18.17 N +ATOM 3119 CA GLY B 91 -8.569 29.793 70.505 1.00 18.29 C +ATOM 3120 C GLY B 91 -9.793 29.066 70.961 1.00 19.71 C +ATOM 3121 O GLY B 91 -10.930 29.562 70.888 1.00 17.49 O +ATOM 3122 N ILE B 92 -9.512 27.900 71.561 1.00 18.82 N +ATOM 3123 CA ILE B 92 -10.553 27.049 72.122 1.00 18.77 C +ATOM 3124 C ILE B 92 -10.066 26.601 73.490 1.00 18.85 C +ATOM 3125 O ILE B 92 -8.893 26.394 73.632 1.00 20.01 O +ATOM 3126 CB ILE B 92 -10.880 25.919 71.206 1.00 22.38 C +ATOM 3127 CG1 ILE B 92 -12.079 25.106 71.783 1.00 25.94 C +ATOM 3128 CG2 ILE B 92 -9.672 25.076 70.887 1.00 25.36 C +ATOM 3129 CD1 ILE B 92 -12.750 24.345 70.658 1.00 30.12 C +ATOM 3130 N GLY B 93 -10.929 26.632 74.449 1.00 22.07 N +ATOM 3131 CA GLY B 93 -10.554 26.269 75.810 1.00 24.82 C +ATOM 3132 C GLY B 93 -11.669 25.519 76.495 1.00 27.21 C +ATOM 3133 O GLY B 93 -12.799 25.425 76.022 1.00 24.42 O +ATOM 3134 N GLY B 94 -11.302 25.076 77.701 1.00 29.04 N +ATOM 3135 CA GLY B 94 -12.259 24.412 78.635 1.00 33.88 C +ATOM 3136 C GLY B 94 -11.468 23.683 79.706 1.00 34.24 C +ATOM 3137 O GLY B 94 -10.379 24.102 80.033 1.00 32.29 O +ATOM 3138 N THR B 95 -11.995 22.542 80.130 1.00 36.25 N +ATOM 3139 CA THR B 95 -11.401 21.698 81.191 1.00 37.62 C +ATOM 3140 C THR B 95 -9.903 21.547 81.145 1.00 30.67 C +ATOM 3141 O THR B 95 -9.237 21.787 82.126 1.00 35.12 O +ATOM 3142 CB THR B 95 -12.048 20.282 81.071 1.00 39.85 C +ATOM 3143 OG1 THR B 95 -13.453 20.456 81.180 1.00 37.51 O +ATOM 3144 CG2 THR B 95 -11.591 19.290 82.140 1.00 39.13 C +ATOM 3145 N TYR B 96 -9.376 21.187 79.976 1.00 29.39 N +ATOM 3146 CA TYR B 96 -7.960 20.837 79.805 1.00 32.68 C +ATOM 3147 C TYR B 96 -7.034 22.021 79.424 1.00 31.82 C +ATOM 3148 O TYR B 96 -5.860 21.788 79.094 1.00 31.50 O +ATOM 3149 CB TYR B 96 -7.807 19.683 78.791 1.00 41.12 C +ATOM 3150 CG TYR B 96 -8.420 18.429 79.331 1.00 47.42 C +ATOM 3151 CD1 TYR B 96 -7.785 17.713 80.332 1.00 50.60 C +ATOM 3152 CD2 TYR B 96 -9.683 18.017 78.916 1.00 51.86 C +ATOM 3153 CE1 TYR B 96 -8.378 16.584 80.892 1.00 52.62 C +ATOM 3154 CE2 TYR B 96 -10.273 16.887 79.455 1.00 52.85 C +ATOM 3155 CZ TYR B 96 -9.612 16.184 80.444 1.00 55.42 C +ATOM 3156 OH TYR B 96 -10.189 15.060 81.004 1.00 70.22 O +ATOM 3157 N GLY B 97 -7.568 23.240 79.510 1.00 27.70 N +ATOM 3158 CA GLY B 97 -6.811 24.466 79.254 1.00 26.25 C +ATOM 3159 C GLY B 97 -7.340 25.154 77.986 1.00 26.46 C +ATOM 3160 O GLY B 97 -8.460 24.897 77.533 1.00 26.24 O +ATOM 3161 N GLU B 98 -6.468 25.953 77.398 1.00 21.75 N +ATOM 3162 CA GLU B 98 -6.848 26.793 76.239 1.00 22.82 C +ATOM 3163 C GLU B 98 -5.688 26.756 75.275 1.00 21.95 C +ATOM 3164 O GLU B 98 -4.568 26.889 75.641 1.00 21.87 O +ATOM 3165 CB GLU B 98 -7.150 28.221 76.719 1.00 23.51 C +ATOM 3166 CG GLU B 98 -7.526 29.222 75.592 1.00 21.26 C +ATOM 3167 CD GLU B 98 -7.782 30.637 76.111 1.00 23.58 C +ATOM 3168 OE1 GLU B 98 -8.689 30.870 76.998 1.00 28.09 O +ATOM 3169 OE2 GLU B 98 -7.103 31.561 75.633 1.00 24.90 O +ATOM 3170 N VAL B 99 -5.971 26.598 73.990 1.00 19.19 N +ATOM 3171 CA VAL B 99 -4.983 26.601 72.945 1.00 18.32 C +ATOM 3172 C VAL B 99 -5.371 27.679 71.893 1.00 19.55 C +ATOM 3173 O VAL B 99 -6.552 27.787 71.576 1.00 20.26 O +ATOM 3174 CB VAL B 99 -4.904 25.236 72.241 1.00 23.98 C +ATOM 3175 CG1 VAL B 99 -6.211 24.803 71.676 1.00 28.23 C +ATOM 3176 CG2 VAL B 99 -3.896 25.152 71.103 1.00 27.87 C +ATOM 3177 N THR B 100 -4.404 28.441 71.479 1.00 17.98 N +ATOM 3178 CA THR B 100 -4.625 29.539 70.502 1.00 16.61 C +ATOM 3179 C THR B 100 -3.699 29.386 69.363 1.00 15.93 C +ATOM 3180 O THR B 100 -2.613 28.765 69.464 1.00 17.24 O +ATOM 3181 CB THR B 100 -4.449 30.924 71.151 1.00 17.82 C +ATOM 3182 OG1 THR B 100 -3.071 31.105 71.508 1.00 18.17 O +ATOM 3183 CG2 THR B 100 -5.309 31.118 72.395 1.00 17.41 C +ATOM 3184 N TYR B 101 -3.997 30.024 68.233 1.00 14.68 N +ATOM 3185 CA TYR B 101 -3.042 30.263 67.176 1.00 15.60 C +ATOM 3186 C TYR B 101 -3.148 31.739 66.720 1.00 14.65 C +ATOM 3187 O TYR B 101 -4.260 32.310 66.841 1.00 14.22 O +ATOM 3188 CB TYR B 101 -3.319 29.372 65.974 1.00 14.75 C +ATOM 3189 CG TYR B 101 -2.370 29.591 64.823 1.00 15.52 C +ATOM 3190 CD1 TYR B 101 -1.064 29.010 64.824 1.00 15.43 C +ATOM 3191 CD2 TYR B 101 -2.717 30.316 63.685 1.00 13.89 C +ATOM 3192 CE1 TYR B 101 -0.181 29.215 63.791 1.00 14.65 C +ATOM 3193 CE2 TYR B 101 -1.830 30.533 62.611 1.00 13.28 C +ATOM 3194 CZ TYR B 101 -0.557 29.957 62.616 1.00 15.34 C +ATOM 3195 OH TYR B 101 0.305 30.139 61.574 1.00 15.57 O +ATOM 3196 N GLY B 102 -2.025 32.296 66.301 1.00 16.08 N +ATOM 3197 CA GLY B 102 -1.911 33.717 65.971 1.00 16.63 C +ATOM 3198 C GLY B 102 -1.183 34.442 67.068 1.00 20.01 C +ATOM 3199 O GLY B 102 -1.019 33.915 68.201 1.00 27.03 O +ATOM 3200 N LYS B 103 -0.826 35.673 66.859 1.00 14.05 N +ATOM 3201 CA LYS B 103 0.067 36.320 67.789 1.00 13.53 C +ATOM 3202 C LYS B 103 -0.475 36.432 69.204 1.00 14.00 C +ATOM 3203 O LYS B 103 -1.526 37.034 69.487 1.00 14.59 O +ATOM 3204 CB LYS B 103 0.466 37.723 67.283 1.00 13.57 C +ATOM 3205 CG LYS B 103 1.607 38.382 68.114 1.00 14.88 C +ATOM 3206 CD LYS B 103 2.324 39.490 67.450 1.00 14.90 C +ATOM 3207 CE LYS B 103 3.562 39.938 68.256 1.00 14.78 C +ATOM 3208 NZ LYS B 103 4.450 40.894 67.653 1.00 14.76 N +ATOM 3209 N ASN B 104 0.264 35.754 70.123 1.00 14.32 N +ATOM 3210 CA ASN B 104 -0.129 35.572 71.491 1.00 14.70 C +ATOM 3211 C ASN B 104 1.154 35.296 72.310 1.00 16.90 C +ATOM 3212 O ASN B 104 2.170 35.088 71.752 1.00 14.97 O +ATOM 3213 CB ASN B 104 -1.142 34.437 71.682 1.00 16.86 C +ATOM 3214 CG ASN B 104 -1.884 34.418 73.049 1.00 16.13 C +ATOM 3215 OD1 ASN B 104 -1.827 35.370 73.815 1.00 17.00 O +ATOM 3216 ND2 ASN B 104 -2.716 33.370 73.257 1.00 15.97 N +ATOM 3217 N ASP B 105 0.987 35.372 73.653 1.00 16.20 N +ATOM 3218 CA ASP B 105 2.151 35.115 74.546 1.00 17.06 C +ATOM 3219 C ASP B 105 2.566 33.631 74.473 1.00 18.61 C +ATOM 3220 O ASP B 105 1.737 32.687 74.446 1.00 19.45 O +ATOM 3221 CB ASP B 105 1.728 35.479 75.950 1.00 19.39 C +ATOM 3222 CG ASP B 105 1.435 36.934 76.083 1.00 23.11 C +ATOM 3223 OD1 ASP B 105 2.275 37.713 75.686 1.00 26.40 O +ATOM 3224 OD2 ASP B 105 0.382 37.308 76.625 1.00 29.11 O +ATOM 3225 N GLY B 106 3.864 33.479 74.515 1.00 17.72 N +ATOM 3226 CA GLY B 106 4.539 32.223 74.850 1.00 19.09 C +ATOM 3227 C GLY B 106 4.610 32.072 76.345 1.00 19.65 C +ATOM 3228 O GLY B 106 3.835 32.622 77.101 1.00 18.36 O +ATOM 3229 N ALA B 107 5.447 31.088 76.757 1.00 20.61 N +ATOM 3230 CA ALA B 107 5.303 30.591 78.092 1.00 18.15 C +ATOM 3231 C ALA B 107 6.005 31.354 79.205 1.00 19.36 C +ATOM 3232 O ALA B 107 5.657 31.105 80.386 1.00 19.93 O +ATOM 3233 CB ALA B 107 5.788 29.096 78.121 1.00 19.79 C +ATOM 3234 N LEU B 108 6.943 32.204 78.875 1.00 18.46 N +ATOM 3235 CA LEU B 108 7.815 32.786 79.913 1.00 19.14 C +ATOM 3236 C LEU B 108 7.338 34.051 80.577 1.00 20.09 C +ATOM 3237 O LEU B 108 7.860 34.469 81.623 1.00 19.27 O +ATOM 3238 CB LEU B 108 9.239 32.915 79.428 1.00 18.94 C +ATOM 3239 CG LEU B 108 9.939 31.583 79.166 1.00 22.84 C +ATOM 3240 CD1 LEU B 108 11.429 31.809 78.888 1.00 20.53 C +ATOM 3241 CD2 LEU B 108 9.785 30.620 80.277 1.00 24.56 C +ATOM 3242 N GLY B 109 6.371 34.751 79.953 1.00 19.80 N +ATOM 3243 CA GLY B 109 5.902 35.952 80.622 1.00 17.74 C +ATOM 3244 C GLY B 109 5.295 35.729 82.005 1.00 16.57 C +ATOM 3245 O GLY B 109 5.378 36.618 82.814 1.00 18.45 O +ATOM 3246 N VAL B 110 4.663 34.600 82.238 1.00 17.27 N +ATOM 3247 CA VAL B 110 4.143 34.341 83.595 1.00 17.86 C +ATOM 3248 C VAL B 110 5.296 34.150 84.583 1.00 19.99 C +ATOM 3249 O VAL B 110 5.046 34.263 85.771 1.00 19.17 O +ATOM 3250 CB VAL B 110 3.128 33.169 83.673 1.00 20.78 C +ATOM 3251 CG1 VAL B 110 1.826 33.488 82.926 1.00 21.78 C +ATOM 3252 CG2 VAL B 110 3.698 31.881 83.145 1.00 21.31 C +ATOM 3253 N ILE B 111 6.467 33.830 84.080 1.00 18.26 N +ATOM 3254 CA ILE B 111 7.618 33.712 84.978 1.00 19.63 C +ATOM 3255 C ILE B 111 8.189 35.074 85.200 1.00 19.08 C +ATOM 3256 O ILE B 111 8.545 35.413 86.326 1.00 19.18 O +ATOM 3257 CB ILE B 111 8.660 32.692 84.413 1.00 18.90 C +ATOM 3258 CG1 ILE B 111 7.986 31.342 84.074 1.00 18.95 C +ATOM 3259 CG2 ILE B 111 9.880 32.558 85.395 1.00 19.62 C +ATOM 3260 CD1 ILE B 111 7.277 30.634 85.212 1.00 19.57 C +ATOM 3261 N THR B 112 8.390 35.898 84.135 1.00 16.89 N +ATOM 3262 CA THR B 112 8.857 37.254 84.323 1.00 16.58 C +ATOM 3263 C THR B 112 7.890 38.094 85.152 1.00 17.65 C +ATOM 3264 O THR B 112 8.362 39.023 85.802 1.00 18.62 O +ATOM 3265 CB THR B 112 9.301 37.957 83.030 1.00 20.37 C +ATOM 3266 OG1 THR B 112 8.145 38.063 82.196 1.00 16.81 O +ATOM 3267 CG2 THR B 112 10.374 37.171 82.273 1.00 20.25 C +ATOM 3268 N ASP B 113 6.627 37.680 85.199 1.00 18.89 N +ATOM 3269 CA ASP B 113 5.648 38.360 85.974 1.00 17.20 C +ATOM 3270 C ASP B 113 5.970 38.212 87.480 1.00 18.93 C +ATOM 3271 O ASP B 113 5.344 38.881 88.295 1.00 21.25 O +ATOM 3272 CB ASP B 113 4.252 37.757 85.689 1.00 18.08 C +ATOM 3273 CG ASP B 113 3.579 38.379 84.440 1.00 21.95 C +ATOM 3274 OD1 ASP B 113 4.077 39.368 83.905 1.00 24.90 O +ATOM 3275 OD2 ASP B 113 2.578 37.706 84.085 1.00 26.04 O +ATOM 3276 N PHE B 114 6.829 37.244 87.864 1.00 20.37 N +ATOM 3277 CA PHE B 114 7.198 37.215 89.310 1.00 17.78 C +ATOM 3278 C PHE B 114 7.797 38.491 89.803 1.00 19.44 C +ATOM 3279 O PHE B 114 7.509 38.957 90.905 1.00 20.29 O +ATOM 3280 CB PHE B 114 8.150 36.045 89.589 1.00 18.48 C +ATOM 3281 CG PHE B 114 7.498 34.702 89.733 1.00 20.98 C +ATOM 3282 CD1 PHE B 114 6.752 34.071 88.755 1.00 20.77 C +ATOM 3283 CD2 PHE B 114 7.677 33.959 90.919 1.00 20.49 C +ATOM 3284 CE1 PHE B 114 6.212 32.813 88.919 1.00 22.03 C +ATOM 3285 CE2 PHE B 114 7.109 32.721 91.085 1.00 20.36 C +ATOM 3286 CZ PHE B 114 6.423 32.073 90.094 1.00 20.73 C +ATOM 3287 N THR B 115 8.655 39.132 89.026 1.00 18.94 N +ATOM 3288 CA THR B 115 9.265 40.375 89.456 1.00 18.31 C +ATOM 3289 C THR B 115 8.821 41.631 88.667 1.00 19.24 C +ATOM 3290 O THR B 115 9.293 42.727 88.943 1.00 19.27 O +ATOM 3291 CB THR B 115 10.780 40.287 89.313 1.00 19.85 C +ATOM 3292 OG1 THR B 115 11.138 39.672 88.077 1.00 21.23 O +ATOM 3293 CG2 THR B 115 11.288 39.294 90.434 1.00 21.45 C +ATOM 3294 N ASP B 116 8.000 41.459 87.593 1.00 17.98 N +ATOM 3295 CA ASP B 116 7.529 42.624 86.775 1.00 17.25 C +ATOM 3296 C ASP B 116 6.289 43.253 87.356 1.00 19.65 C +ATOM 3297 O ASP B 116 5.134 43.069 86.875 1.00 20.00 O +ATOM 3298 CB ASP B 116 7.281 42.087 85.343 1.00 20.00 C +ATOM 3299 CG ASP B 116 6.886 43.154 84.371 1.00 21.83 C +ATOM 3300 OD1 ASP B 116 7.061 44.316 84.614 1.00 20.15 O +ATOM 3301 OD2 ASP B 116 6.450 42.767 83.297 1.00 24.56 O +ATOM 3302 N ILE B 117 6.506 43.928 88.490 1.00 18.50 N +ATOM 3303 CA ILE B 117 5.447 44.472 89.327 1.00 18.46 C +ATOM 3304 C ILE B 117 5.334 45.948 89.358 1.00 18.00 C +ATOM 3305 O ILE B 117 4.407 46.445 89.953 1.00 20.40 O +ATOM 3306 CB ILE B 117 5.522 43.903 90.779 1.00 18.62 C +ATOM 3307 CG1 ILE B 117 6.703 44.478 91.501 1.00 20.95 C +ATOM 3308 CG2 ILE B 117 5.458 42.381 90.736 1.00 21.19 C +ATOM 3309 CD1 ILE B 117 6.663 44.149 92.989 1.00 21.55 C +ATOM 3310 N MET B 118 6.180 46.656 88.632 1.00 19.72 N +ATOM 3311 CA MET B 118 6.205 48.079 88.664 1.00 18.32 C +ATOM 3312 C MET B 118 5.223 48.691 87.654 1.00 18.27 C +ATOM 3313 O MET B 118 4.948 48.068 86.624 1.00 19.20 O +ATOM 3314 CB MET B 118 7.571 48.633 88.432 1.00 19.73 C +ATOM 3315 CG MET B 118 8.709 48.020 89.259 1.00 18.48 C +ATOM 3316 SD MET B 118 10.151 49.049 89.352 1.00 20.57 S +ATOM 3317 CE MET B 118 9.723 50.301 90.500 1.00 21.69 C +ATOM 3318 N SER B 119 4.864 49.909 87.901 1.00 17.25 N +ATOM 3319 CA SER B 119 3.993 50.620 86.922 1.00 18.07 C +ATOM 3320 C SER B 119 4.682 50.982 85.626 1.00 19.38 C +ATOM 3321 O SER B 119 3.986 50.986 84.533 1.00 19.44 O +ATOM 3322 CB SER B 119 3.387 51.841 87.591 1.00 18.23 C +ATOM 3323 OG SER B 119 2.299 51.369 88.357 1.00 19.50 O +ATOM 3324 N TYR B 120 5.993 51.224 85.656 1.00 16.70 N +ATOM 3325 CA TYR B 120 6.729 51.783 84.493 1.00 18.80 C +ATOM 3326 C TYR B 120 8.062 51.114 84.351 1.00 18.23 C +ATOM 3327 O TYR B 120 8.515 50.753 83.224 1.00 19.50 O +ATOM 3328 CB TYR B 120 6.837 53.301 84.555 1.00 19.54 C +ATOM 3329 CG TYR B 120 7.468 53.961 83.375 1.00 20.14 C +ATOM 3330 CD1 TYR B 120 8.839 54.110 83.266 1.00 18.52 C +ATOM 3331 CD2 TYR B 120 6.660 54.533 82.403 1.00 19.63 C +ATOM 3332 CE1 TYR B 120 9.449 54.765 82.213 1.00 20.75 C +ATOM 3333 CE2 TYR B 120 7.268 55.211 81.358 1.00 20.69 C +ATOM 3334 CZ TYR B 120 8.633 55.292 81.240 1.00 19.69 C +ATOM 3335 OH TYR B 120 9.206 55.948 80.189 1.00 22.68 O +ATOM 3336 N HIS B 121 8.809 51.026 85.457 1.00 19.94 N +ATOM 3337 CA HIS B 121 10.169 50.532 85.387 1.00 18.46 C +ATOM 3338 C HIS B 121 10.208 49.019 85.679 1.00 18.28 C +ATOM 3339 O HIS B 121 9.204 48.338 85.613 1.00 17.73 O +ATOM 3340 CB HIS B 121 11.056 51.374 86.357 1.00 19.29 C +ATOM 3341 CG HIS B 121 11.436 52.683 85.811 1.00 19.06 C +ATOM 3342 ND1 HIS B 121 11.093 53.859 86.419 1.00 19.30 N +ATOM 3343 CD2 HIS B 121 12.066 53.015 84.649 1.00 17.87 C +ATOM 3344 CE1 HIS B 121 11.538 54.866 85.693 1.00 19.33 C +ATOM 3345 NE2 HIS B 121 12.163 54.385 84.627 1.00 17.25 N +ATOM 3346 N GLY B 122 11.384 48.468 85.935 1.00 17.68 N +ATOM 3347 CA GLY B 122 11.487 47.037 86.167 1.00 18.05 C +ATOM 3348 C GLY B 122 11.426 46.226 84.876 1.00 20.22 C +ATOM 3349 O GLY B 122 11.408 46.845 83.749 1.00 19.39 O +ATOM 3350 N ASN B 123 11.539 44.898 84.998 1.00 20.21 N +ATOM 3351 CA ASN B 123 11.530 43.997 83.835 1.00 18.51 C +ATOM 3352 C ASN B 123 12.618 44.392 82.865 1.00 19.57 C +ATOM 3353 O ASN B 123 12.480 44.332 81.634 1.00 21.44 O +ATOM 3354 CB ASN B 123 10.118 44.004 83.167 1.00 18.38 C +ATOM 3355 CG ASN B 123 10.014 42.958 82.048 1.00 20.82 C +ATOM 3356 OD1 ASN B 123 10.275 41.723 82.260 1.00 24.21 O +ATOM 3357 ND2 ASN B 123 9.671 43.420 80.824 1.00 19.25 N +ATOM 3358 N THR B 124 13.793 44.810 83.380 1.00 18.93 N +ATOM 3359 CA THR B 124 14.946 45.148 82.533 1.00 18.85 C +ATOM 3360 C THR B 124 16.107 44.154 82.460 1.00 21.61 C +ATOM 3361 O THR B 124 17.096 44.348 81.683 1.00 21.81 O +ATOM 3362 CB THR B 124 15.538 46.534 82.901 1.00 22.02 C +ATOM 3363 OG1 THR B 124 16.185 46.456 84.213 1.00 22.84 O +ATOM 3364 CG2 THR B 124 14.499 47.694 82.937 1.00 19.69 C +ATOM 3365 N ALA B 125 15.991 43.101 83.234 1.00 17.22 N +ATOM 3366 CA ALA B 125 16.992 42.026 83.184 1.00 20.40 C +ATOM 3367 C ALA B 125 16.351 40.652 83.120 1.00 21.77 C +ATOM 3368 O ALA B 125 16.695 39.721 83.819 1.00 21.22 O +ATOM 3369 CB ALA B 125 17.810 42.129 84.475 1.00 18.76 C +ATOM 3370 N ALA B 126 15.398 40.468 82.223 1.00 20.79 N +ATOM 3371 CA ALA B 126 14.664 39.285 82.071 1.00 21.05 C +ATOM 3372 C ALA B 126 14.224 39.059 80.584 1.00 23.03 C +ATOM 3373 O ALA B 126 13.069 38.713 80.286 1.00 22.21 O +ATOM 3374 CB ALA B 126 13.448 39.260 83.015 1.00 25.33 C +ATOM 3375 N GLU B 127 15.189 39.200 79.689 1.00 20.90 N +ATOM 3376 CA GLU B 127 14.927 39.122 78.313 1.00 23.65 C +ATOM 3377 C GLU B 127 14.309 37.818 77.886 1.00 25.55 C +ATOM 3378 O GLU B 127 14.736 36.749 78.311 1.00 22.10 O +ATOM 3379 CB GLU B 127 16.183 39.438 77.499 1.00 25.58 C +ATOM 3380 CG GLU B 127 15.902 39.400 76.006 1.00 32.14 C +ATOM 3381 CD GLU B 127 16.910 40.198 75.170 1.00 42.50 C +ATOM 3382 OE1 GLU B 127 17.871 40.812 75.743 1.00 50.46 O +ATOM 3383 OE2 GLU B 127 16.741 40.218 73.910 1.00 48.56 O +ATOM 3384 N LYS B 128 13.197 37.894 77.093 1.00 19.66 N +ATOM 3385 CA LYS B 128 12.478 36.740 76.619 1.00 20.67 C +ATOM 3386 C LYS B 128 12.696 36.667 75.115 1.00 20.22 C +ATOM 3387 O LYS B 128 12.570 37.714 74.430 1.00 22.61 O +ATOM 3388 CB LYS B 128 10.981 36.799 76.902 1.00 20.43 C +ATOM 3389 CG LYS B 128 10.616 36.678 78.348 1.00 18.37 C +ATOM 3390 CD LYS B 128 9.146 36.428 78.574 1.00 18.17 C +ATOM 3391 CE LYS B 128 8.332 37.697 78.366 1.00 18.47 C +ATOM 3392 NZ LYS B 128 8.506 38.806 79.239 1.00 20.06 N +ATOM 3393 N ILE B 129 13.069 35.483 74.633 1.00 19.15 N +ATOM 3394 CA ILE B 129 13.237 35.281 73.194 1.00 19.95 C +ATOM 3395 C ILE B 129 11.803 35.190 72.610 1.00 16.83 C +ATOM 3396 O ILE B 129 10.792 34.969 73.354 1.00 18.73 O +ATOM 3397 CB ILE B 129 14.078 34.017 72.845 1.00 24.88 C +ATOM 3398 CG1 ILE B 129 13.451 32.778 73.288 1.00 25.04 C +ATOM 3399 CG2 ILE B 129 15.500 34.168 73.487 1.00 25.71 C +ATOM 3400 CD1 ILE B 129 14.247 31.509 72.911 1.00 27.06 C +ATOM 3401 N ALA B 130 11.700 35.417 71.326 1.00 19.49 N +ATOM 3402 CA ALA B 130 10.361 35.622 70.722 1.00 18.42 C +ATOM 3403 C ALA B 130 9.332 34.591 70.976 1.00 16.43 C +ATOM 3404 O ALA B 130 8.262 34.926 71.451 1.00 17.48 O +ATOM 3405 CB ALA B 130 10.504 35.779 69.192 1.00 17.30 C +ATOM 3406 N VAL B 131 9.645 33.272 70.801 1.00 16.15 N +ATOM 3407 CA VAL B 131 8.765 32.222 71.080 1.00 17.01 C +ATOM 3408 C VAL B 131 8.286 32.144 72.492 1.00 15.62 C +ATOM 3409 O VAL B 131 7.189 31.673 72.842 1.00 17.02 O +ATOM 3410 CB VAL B 131 9.416 30.874 70.611 1.00 20.33 C +ATOM 3411 CG1 VAL B 131 10.666 30.512 71.520 1.00 21.56 C +ATOM 3412 CG2 VAL B 131 8.379 29.797 70.619 1.00 20.93 C +ATOM 3413 N ALA B 132 9.120 32.651 73.432 1.00 16.78 N +ATOM 3414 CA ALA B 132 8.793 32.688 74.857 1.00 18.40 C +ATOM 3415 C ALA B 132 8.026 33.929 75.313 1.00 16.12 C +ATOM 3416 O ALA B 132 7.474 33.946 76.416 1.00 18.92 O +ATOM 3417 CB ALA B 132 10.079 32.637 75.721 1.00 19.10 C +ATOM 3418 N ASP B 133 7.980 34.945 74.440 1.00 19.04 N +ATOM 3419 CA ASP B 133 7.520 36.296 74.710 1.00 17.61 C +ATOM 3420 C ASP B 133 6.113 36.390 74.079 1.00 16.23 C +ATOM 3421 O ASP B 133 5.135 36.028 74.700 1.00 18.00 O +ATOM 3422 CB ASP B 133 8.530 37.291 74.145 1.00 18.16 C +ATOM 3423 CG ASP B 133 8.143 38.783 74.402 1.00 17.06 C +ATOM 3424 OD1 ASP B 133 7.175 38.989 75.198 1.00 21.10 O +ATOM 3425 OD2 ASP B 133 8.819 39.603 73.707 1.00 22.10 O +ATOM 3426 N ARG B 134 6.072 36.906 72.868 1.00 18.03 N +ATOM 3427 CA ARG B 134 4.792 37.073 72.147 1.00 16.02 C +ATOM 3428 C ARG B 134 5.223 37.136 70.655 1.00 15.10 C +ATOM 3429 O ARG B 134 6.001 37.956 70.290 1.00 15.63 O +ATOM 3430 CB ARG B 134 4.115 38.390 72.611 1.00 17.73 C +ATOM 3431 CG ARG B 134 2.811 38.678 71.956 1.00 19.74 C +ATOM 3432 CD ARG B 134 1.976 39.806 72.651 1.00 20.20 C +ATOM 3433 NE ARG B 134 2.887 40.841 73.068 1.00 21.73 N +ATOM 3434 CZ ARG B 134 3.379 41.826 72.326 1.00 22.73 C +ATOM 3435 NH1 ARG B 134 3.017 42.044 71.031 1.00 19.68 N +ATOM 3436 NH2 ARG B 134 4.274 42.625 72.839 1.00 23.23 N +ATOM 3437 N VAL B 135 4.628 36.256 69.817 1.00 15.86 N +ATOM 3438 CA VAL B 135 5.049 36.201 68.428 1.00 14.95 C +ATOM 3439 C VAL B 135 3.952 35.408 67.701 1.00 13.31 C +ATOM 3440 O VAL B 135 3.224 34.631 68.295 1.00 15.12 O +ATOM 3441 CB VAL B 135 6.423 35.525 68.282 1.00 15.98 C +ATOM 3442 CG1 VAL B 135 6.327 34.014 68.539 1.00 17.08 C +ATOM 3443 CG2 VAL B 135 7.090 35.815 66.958 1.00 17.44 C +ATOM 3444 N ASP B 136 3.912 35.616 66.386 1.00 14.24 N +ATOM 3445 CA ASP B 136 2.897 34.946 65.557 1.00 14.50 C +ATOM 3446 C ASP B 136 3.415 33.639 64.951 1.00 13.63 C +ATOM 3447 O ASP B 136 4.529 33.171 65.332 1.00 15.58 O +ATOM 3448 CB ASP B 136 2.390 35.940 64.528 1.00 13.80 C +ATOM 3449 CG ASP B 136 3.362 36.268 63.391 1.00 14.89 C +ATOM 3450 OD1 ASP B 136 4.414 35.500 63.196 1.00 15.19 O +ATOM 3451 OD2 ASP B 136 3.204 37.267 62.607 1.00 15.55 O +ATOM 3452 N ASN B 137 2.585 33.018 64.133 1.00 14.94 N +ATOM 3453 CA ASN B 137 2.860 31.641 63.603 1.00 14.71 C +ATOM 3454 C ASN B 137 3.084 30.701 64.748 1.00 14.96 C +ATOM 3455 O ASN B 137 3.912 29.776 64.603 1.00 17.96 O +ATOM 3456 CB ASN B 137 4.016 31.641 62.603 1.00 14.07 C +ATOM 3457 CG ASN B 137 3.857 30.590 61.511 1.00 14.66 C +ATOM 3458 OD1 ASN B 137 2.923 29.799 61.520 1.00 15.42 O +ATOM 3459 ND2 ASN B 137 4.788 30.580 60.558 1.00 14.86 N +ATOM 3460 N MET B 138 2.362 30.849 65.833 1.00 15.96 N +ATOM 3461 CA MET B 138 2.607 30.081 67.044 1.00 17.14 C +ATOM 3462 C MET B 138 1.338 29.504 67.619 1.00 18.79 C +ATOM 3463 O MET B 138 0.310 30.176 67.746 1.00 17.03 O +ATOM 3464 CB MET B 138 3.327 30.997 68.062 1.00 19.25 C +ATOM 3465 CG MET B 138 3.672 30.288 69.384 1.00 18.26 C +ATOM 3466 SD MET B 138 4.869 31.187 70.392 1.00 19.58 S +ATOM 3467 CE MET B 138 3.847 32.525 71.042 1.00 18.98 C +ATOM 3468 N LEU B 139 1.398 28.223 68.038 1.00 15.88 N +ATOM 3469 CA LEU B 139 0.398 27.623 68.852 1.00 17.21 C +ATOM 3470 C LEU B 139 0.753 27.832 70.307 1.00 18.15 C +ATOM 3471 O LEU B 139 1.897 27.533 70.663 1.00 22.04 O +ATOM 3472 CB LEU B 139 0.386 26.118 68.540 1.00 18.34 C +ATOM 3473 CG LEU B 139 -0.227 25.733 67.180 1.00 20.23 C +ATOM 3474 CD1 LEU B 139 0.201 24.321 66.789 1.00 24.04 C +ATOM 3475 CD2 LEU B 139 -1.767 25.847 67.188 1.00 22.53 C +ATOM 3476 N ALA B 140 -0.176 28.332 71.096 1.00 18.58 N +ATOM 3477 CA ALA B 140 -0.014 28.598 72.528 1.00 18.51 C +ATOM 3478 C ALA B 140 -0.965 27.828 73.340 1.00 22.15 C +ATOM 3479 O ALA B 140 -2.126 27.803 73.065 1.00 22.23 O +ATOM 3480 CB ALA B 140 -0.068 30.094 72.858 1.00 19.82 C +ATOM 3481 N TYR B 141 -0.474 27.205 74.441 1.00 18.01 N +ATOM 3482 CA TYR B 141 -1.288 26.433 75.377 1.00 20.98 C +ATOM 3483 C TYR B 141 -1.099 27.002 76.834 1.00 18.52 C +ATOM 3484 O TYR B 141 -0.007 27.427 77.203 1.00 21.70 O +ATOM 3485 CB TYR B 141 -0.813 24.959 75.365 1.00 22.12 C +ATOM 3486 CG TYR B 141 -1.470 24.184 76.484 1.00 24.88 C +ATOM 3487 CD1 TYR B 141 -2.789 23.803 76.396 1.00 24.69 C +ATOM 3488 CD2 TYR B 141 -0.803 23.938 77.676 1.00 25.61 C +ATOM 3489 CE1 TYR B 141 -3.410 23.157 77.440 1.00 27.26 C +ATOM 3490 CE2 TYR B 141 -1.418 23.273 78.726 1.00 25.88 C +ATOM 3491 CZ TYR B 141 -2.707 22.890 78.619 1.00 27.53 C +ATOM 3492 OH TYR B 141 -3.391 22.249 79.657 1.00 29.07 O +ATOM 3493 N LYS B 142 -2.182 27.032 77.579 1.00 20.96 N +ATOM 3494 CA LYS B 142 -2.152 27.292 79.039 1.00 21.98 C +ATOM 3495 C LYS B 142 -3.175 26.449 79.735 1.00 23.45 C +ATOM 3496 O LYS B 142 -4.284 26.178 79.203 1.00 23.51 O +ATOM 3497 CB LYS B 142 -2.327 28.766 79.332 1.00 21.80 C +ATOM 3498 CG LYS B 142 -3.710 29.339 79.023 1.00 24.69 C +ATOM 3499 CD LYS B 142 -3.760 30.853 79.195 1.00 28.27 C +ATOM 3500 CE LYS B 142 -5.140 31.347 78.832 1.00 29.34 C +ATOM 3501 NZ LYS B 142 -5.426 32.703 79.316 1.00 33.81 N +ATOM 3502 N GLY B 143 -2.833 26.012 80.960 1.00 21.37 N +ATOM 3503 CA GLY B 143 -3.759 25.226 81.718 1.00 24.81 C +ATOM 3504 C GLY B 143 -3.391 25.303 83.187 1.00 24.55 C +ATOM 3505 O GLY B 143 -2.246 25.665 83.548 1.00 26.85 O +ATOM 3506 N GLN B 144 -4.403 25.083 84.025 1.00 26.77 N +ATOM 3507 CA GLN B 144 -4.192 25.057 85.473 1.00 26.90 C +ATOM 3508 C GLN B 144 -4.811 23.751 85.984 1.00 31.32 C +ATOM 3509 O GLN B 144 -5.893 23.396 85.635 1.00 30.84 O +ATOM 3510 CB GLN B 144 -4.878 26.237 86.086 1.00 29.21 C +ATOM 3511 CG GLN B 144 -4.598 26.452 87.595 1.00 30.00 C +ATOM 3512 CD GLN B 144 -3.211 26.995 87.953 1.00 32.40 C +ATOM 3513 OE1 GLN B 144 -2.690 27.877 87.267 1.00 29.06 O +ATOM 3514 NE2 GLN B 144 -2.637 26.522 89.114 1.00 26.58 N +ATOM 3515 N PHE B 145 -4.062 23.046 86.817 1.00 32.05 N +ATOM 3516 CA PHE B 145 -4.473 21.735 87.321 1.00 33.00 C +ATOM 3517 C PHE B 145 -4.163 21.807 88.783 1.00 29.62 C +ATOM 3518 O PHE B 145 -3.003 21.612 89.160 1.00 31.45 O +ATOM 3519 CB PHE B 145 -3.661 20.647 86.607 1.00 31.59 C +ATOM 3520 CG PHE B 145 -3.907 20.588 85.092 1.00 37.21 C +ATOM 3521 CD1 PHE B 145 -4.999 19.884 84.567 1.00 39.01 C +ATOM 3522 CD2 PHE B 145 -3.069 21.292 84.193 1.00 38.02 C +ATOM 3523 CE1 PHE B 145 -5.235 19.858 83.166 1.00 41.02 C +ATOM 3524 CE2 PHE B 145 -3.293 21.274 82.816 1.00 36.57 C +ATOM 3525 CZ PHE B 145 -4.377 20.535 82.294 1.00 38.76 C +ATOM 3526 N GLY B 146 -5.169 22.154 89.581 1.00 36.11 N +ATOM 3527 CA GLY B 146 -4.995 22.405 91.017 1.00 34.51 C +ATOM 3528 C GLY B 146 -3.965 23.526 91.244 1.00 31.24 C +ATOM 3529 O GLY B 146 -4.122 24.644 90.741 1.00 32.85 O +ATOM 3530 N ASP B 147 -2.884 23.194 91.939 1.00 28.94 N +ATOM 3531 CA ASP B 147 -1.865 24.198 92.295 1.00 28.50 C +ATOM 3532 C ASP B 147 -0.718 24.282 91.246 1.00 25.76 C +ATOM 3533 O ASP B 147 0.242 25.035 91.441 1.00 25.21 O +ATOM 3534 CB ASP B 147 -1.312 23.854 93.670 1.00 29.48 C +ATOM 3535 CG ASP B 147 -2.197 24.323 94.785 1.00 28.41 C +ATOM 3536 OD1 ASP B 147 -2.909 25.359 94.688 1.00 32.29 O +ATOM 3537 OD2 ASP B 147 -2.035 23.731 95.888 1.00 34.43 O +ATOM 3538 N LEU B 148 -0.864 23.600 90.136 1.00 28.97 N +ATOM 3539 CA LEU B 148 0.078 23.663 89.037 1.00 25.04 C +ATOM 3540 C LEU B 148 -0.475 24.405 87.793 1.00 27.48 C +ATOM 3541 O LEU B 148 -1.483 23.970 87.188 1.00 24.95 O +ATOM 3542 CB LEU B 148 0.490 22.281 88.610 1.00 28.04 C +ATOM 3543 CG LEU B 148 1.469 22.130 87.455 1.00 27.75 C +ATOM 3544 CD1 LEU B 148 2.845 22.626 87.790 1.00 30.07 C +ATOM 3545 CD2 LEU B 148 1.479 20.727 86.938 1.00 32.67 C +ATOM 3546 N GLY B 149 0.211 25.499 87.439 1.00 23.48 N +ATOM 3547 CA GLY B 149 -0.075 26.226 86.159 1.00 23.38 C +ATOM 3548 C GLY B 149 0.953 25.839 85.120 1.00 21.15 C +ATOM 3549 O GLY B 149 2.164 25.905 85.373 1.00 22.25 O +ATOM 3550 N VAL B 150 0.519 25.536 83.890 1.00 21.35 N +ATOM 3551 CA AVAL B 150 1.479 25.229 82.848 0.50 21.35 C +ATOM 3552 CA BVAL B 150 1.398 25.151 82.844 0.50 20.41 C +ATOM 3553 C VAL B 150 1.146 26.056 81.603 1.00 23.08 C +ATOM 3554 O VAL B 150 -0.002 26.368 81.343 1.00 23.10 O +ATOM 3555 CB AVAL B 150 1.568 23.735 82.423 0.50 23.51 C +ATOM 3556 CB BVAL B 150 1.084 23.715 82.421 0.50 21.76 C +ATOM 3557 CG1AVAL B 150 2.224 22.904 83.534 0.50 22.15 C +ATOM 3558 CG1BVAL B 150 2.007 23.298 81.306 0.50 19.27 C +ATOM 3559 CG2AVAL B 150 0.194 23.166 82.046 0.50 24.20 C +ATOM 3560 CG2BVAL B 150 1.193 22.721 83.614 0.50 20.53 C +ATOM 3561 N LYS B 151 2.201 26.404 80.898 1.00 20.88 N +ATOM 3562 CA LYS B 151 2.086 27.085 79.586 1.00 23.82 C +ATOM 3563 C LYS B 151 3.061 26.476 78.679 1.00 23.16 C +ATOM 3564 O LYS B 151 4.154 26.022 79.099 1.00 23.42 O +ATOM 3565 CB LYS B 151 2.393 28.581 79.702 1.00 22.67 C +ATOM 3566 CG LYS B 151 1.412 29.316 80.514 1.00 23.38 C +ATOM 3567 CD LYS B 151 1.477 30.854 80.299 1.00 25.88 C +ATOM 3568 CE LYS B 151 1.008 31.288 78.919 1.00 26.70 C +ATOM 3569 NZ LYS B 151 0.768 32.788 78.884 1.00 25.43 N +ATOM 3570 N ALA B 152 2.740 26.416 77.384 1.00 22.78 N +ATOM 3571 CA ALA B 152 3.677 25.926 76.456 1.00 20.64 C +ATOM 3572 C ALA B 152 3.375 26.611 75.113 1.00 25.38 C +ATOM 3573 O ALA B 152 2.254 27.102 74.906 1.00 23.70 O +ATOM 3574 CB ALA B 152 3.484 24.452 76.258 1.00 21.51 C +ATOM 3575 N SER B 153 4.364 26.691 74.266 1.00 17.94 N +ATOM 3576 CA SER B 153 4.109 27.169 72.876 1.00 20.77 C +ATOM 3577 C SER B 153 5.000 26.531 71.872 1.00 20.62 C +ATOM 3578 O SER B 153 6.143 26.086 72.214 1.00 21.55 O +ATOM 3579 CB SER B 153 4.246 28.686 72.757 1.00 19.13 C +ATOM 3580 OG SER B 153 5.577 29.109 72.868 1.00 19.52 O +ATOM 3581 N TYR B 154 4.534 26.448 70.641 1.00 18.22 N +ATOM 3582 CA TYR B 154 5.381 26.006 69.523 1.00 19.62 C +ATOM 3583 C TYR B 154 5.186 26.934 68.333 1.00 20.69 C +ATOM 3584 O TYR B 154 4.046 27.145 67.957 1.00 19.96 O +ATOM 3585 CB TYR B 154 5.034 24.582 69.121 1.00 21.92 C +ATOM 3586 CG TYR B 154 5.790 24.175 67.870 1.00 22.96 C +ATOM 3587 CD1 TYR B 154 7.137 23.771 67.931 1.00 28.27 C +ATOM 3588 CD2 TYR B 154 5.230 24.327 66.614 1.00 26.14 C +ATOM 3589 CE1 TYR B 154 7.858 23.493 66.774 1.00 24.39 C +ATOM 3590 CE2 TYR B 154 5.962 24.058 65.472 1.00 24.18 C +ATOM 3591 CZ TYR B 154 7.245 23.617 65.560 1.00 29.95 C +ATOM 3592 OH TYR B 154 7.936 23.404 64.386 1.00 33.88 O +ATOM 3593 N ARG B 155 6.271 27.429 67.805 1.00 18.70 N +ATOM 3594 CA ARG B 155 6.287 28.316 66.677 1.00 19.63 C +ATOM 3595 C ARG B 155 6.772 27.592 65.474 1.00 20.96 C +ATOM 3596 O ARG B 155 7.831 26.934 65.506 1.00 22.08 O +ATOM 3597 CB ARG B 155 7.190 29.522 66.978 1.00 24.55 C +ATOM 3598 CG ARG B 155 7.284 30.492 65.927 1.00 25.07 C +ATOM 3599 CD ARG B 155 8.016 31.759 66.252 1.00 20.39 C +ATOM 3600 NE ARG B 155 7.332 32.664 65.356 1.00 18.73 N +ATOM 3601 CZ ARG B 155 7.623 32.889 64.070 1.00 17.29 C +ATOM 3602 NH1 ARG B 155 8.663 32.351 63.451 1.00 19.48 N +ATOM 3603 NH2 ARG B 155 6.938 33.775 63.345 1.00 17.57 N +ATOM 3604 N PHE B 156 6.026 27.700 64.368 1.00 17.69 N +ATOM 3605 CA PHE B 156 6.567 27.239 63.085 1.00 17.90 C +ATOM 3606 C PHE B 156 7.531 28.155 62.449 1.00 19.42 C +ATOM 3607 O PHE B 156 7.445 29.393 62.586 1.00 19.85 O +ATOM 3608 CB PHE B 156 5.395 27.087 62.058 1.00 16.27 C +ATOM 3609 CG PHE B 156 4.341 26.138 62.502 1.00 17.82 C +ATOM 3610 CD1 PHE B 156 3.244 26.552 63.218 1.00 18.83 C +ATOM 3611 CD2 PHE B 156 4.418 24.791 62.175 1.00 23.00 C +ATOM 3612 CE1 PHE B 156 2.279 25.675 63.668 1.00 20.61 C +ATOM 3613 CE2 PHE B 156 3.426 23.919 62.554 1.00 22.10 C +ATOM 3614 CZ PHE B 156 2.362 24.353 63.336 1.00 23.32 C +ATOM 3615 N ALA B 157 8.518 27.618 61.682 1.00 18.60 N +ATOM 3616 CA ALA B 157 9.289 28.450 60.840 1.00 18.96 C +ATOM 3617 C ALA B 157 8.388 29.153 59.767 1.00 16.97 C +ATOM 3618 O ALA B 157 7.403 28.527 59.341 1.00 17.90 O +ATOM 3619 CB ALA B 157 10.388 27.721 60.135 1.00 23.61 C +ATOM 3620 N ASP B 158 8.734 30.363 59.415 1.00 16.37 N +ATOM 3621 CA ASP B 158 7.884 31.151 58.452 1.00 15.89 C +ATOM 3622 C ASP B 158 8.253 30.767 57.028 1.00 16.60 C +ATOM 3623 O ASP B 158 9.366 30.968 56.549 1.00 18.58 O +ATOM 3624 CB ASP B 158 8.007 32.671 58.610 1.00 16.28 C +ATOM 3625 CG ASP B 158 7.773 33.096 60.006 1.00 18.43 C +ATOM 3626 OD1 ASP B 158 6.548 33.067 60.493 1.00 18.36 O +ATOM 3627 OD2 ASP B 158 8.787 33.332 60.744 1.00 19.76 O +ATOM 3628 N ARG B 159 7.271 30.309 56.265 1.00 14.85 N +ATOM 3629 CA ARG B 159 7.468 30.110 54.893 1.00 13.91 C +ATOM 3630 C ARG B 159 7.936 31.305 54.111 1.00 15.97 C +ATOM 3631 O ARG B 159 7.515 32.463 54.370 1.00 16.31 O +ATOM 3632 CB ARG B 159 6.107 29.673 54.254 1.00 13.63 C +ATOM 3633 CG ARG B 159 6.235 29.283 52.795 1.00 14.63 C +ATOM 3634 CD ARG B 159 4.941 28.627 52.268 1.00 17.84 C +ATOM 3635 NE ARG B 159 3.828 29.588 52.091 1.00 16.35 N +ATOM 3636 CZ ARG B 159 2.619 29.448 52.600 1.00 15.81 C +ATOM 3637 NH1 ARG B 159 2.318 28.470 53.394 1.00 16.06 N +ATOM 3638 NH2 ARG B 159 1.690 30.321 52.244 1.00 16.22 N +ATOM 3639 N ASN B 160 8.853 31.129 53.173 1.00 15.87 N +ATOM 3640 CA ASN B 160 9.187 32.157 52.249 1.00 15.81 C +ATOM 3641 C ASN B 160 9.290 31.607 50.848 1.00 17.29 C +ATOM 3642 O ASN B 160 9.055 30.361 50.664 1.00 17.41 O +ATOM 3643 CB ASN B 160 10.479 32.889 52.678 1.00 17.34 C +ATOM 3644 CG ASN B 160 11.694 31.977 52.719 1.00 21.30 C +ATOM 3645 OD1 ASN B 160 11.658 30.912 52.124 1.00 21.51 O +ATOM 3646 ND2 ASN B 160 12.752 32.345 53.570 1.00 25.19 N +ATOM 3647 N ALA B 161 9.488 32.483 49.896 1.00 16.96 N +ATOM 3648 CA ALA B 161 9.595 32.066 48.514 1.00 19.47 C +ATOM 3649 C ALA B 161 11.046 32.445 48.040 1.00 19.91 C +ATOM 3650 O ALA B 161 11.406 33.616 48.123 1.00 21.84 O +ATOM 3651 CB ALA B 161 8.572 32.711 47.660 1.00 22.87 C +ATOM 3652 N VAL B 162 11.736 31.498 47.455 1.00 18.10 N +ATOM 3653 CA VAL B 162 13.154 31.766 47.068 1.00 18.98 C +ATOM 3654 C VAL B 162 13.380 31.499 45.572 1.00 20.07 C +ATOM 3655 O VAL B 162 12.629 30.678 44.953 1.00 19.04 O +ATOM 3656 CB VAL B 162 14.127 30.913 47.873 1.00 17.85 C +ATOM 3657 CG1 VAL B 162 14.069 31.340 49.345 1.00 20.95 C +ATOM 3658 CG2 VAL B 162 13.944 29.431 47.783 1.00 18.23 C +ATOM 3659 N ASP B 163 14.384 32.176 45.029 1.00 17.60 N +ATOM 3660 CA ASP B 163 14.882 31.851 43.733 1.00 18.54 C +ATOM 3661 C ASP B 163 15.671 30.497 43.726 1.00 19.43 C +ATOM 3662 O ASP B 163 15.691 29.744 44.648 1.00 20.13 O +ATOM 3663 CB ASP B 163 15.699 32.975 43.123 1.00 21.35 C +ATOM 3664 CG ASP B 163 17.032 33.214 43.815 1.00 21.07 C +ATOM 3665 OD1 ASP B 163 17.472 32.381 44.580 1.00 23.40 O +ATOM 3666 OD2 ASP B 163 17.598 34.295 43.600 1.00 30.11 O +ATOM 3667 N ALA B 164 16.294 30.160 42.615 1.00 21.64 N +ATOM 3668 CA ALA B 164 16.954 28.836 42.487 1.00 24.56 C +ATOM 3669 C ALA B 164 18.318 28.803 43.217 1.00 25.65 C +ATOM 3670 O ALA B 164 18.919 27.729 43.375 1.00 27.69 O +ATOM 3671 CB ALA B 164 17.090 28.474 41.032 1.00 28.61 C +ATOM 3672 N MET B 165 18.683 29.890 43.849 1.00 28.14 N +ATOM 3673 CA MET B 165 19.934 29.969 44.666 1.00 28.32 C +ATOM 3674 C MET B 165 19.666 30.407 46.065 1.00 30.48 C +ATOM 3675 O MET B 165 20.551 30.875 46.790 1.00 27.26 O +ATOM 3676 CB MET B 165 20.828 30.950 43.960 1.00 31.22 C +ATOM 3677 CG MET B 165 20.977 30.526 42.505 1.00 33.77 C +ATOM 3678 SD MET B 165 21.977 31.615 41.512 1.00 35.72 S +ATOM 3679 CE MET B 165 20.999 33.109 41.410 1.00 37.06 C +ATOM 3680 N GLY B 166 18.399 30.295 46.507 1.00 24.56 N +ATOM 3681 CA GLY B 166 18.118 30.520 47.886 1.00 25.54 C +ATOM 3682 C GLY B 166 17.805 31.875 48.321 1.00 22.98 C +ATOM 3683 O GLY B 166 17.550 32.074 49.500 1.00 30.49 O +ATOM 3684 N ASN B 167 17.802 32.846 47.441 1.00 24.10 N +ATOM 3685 CA ASN B 167 17.498 34.203 47.770 1.00 24.64 C +ATOM 3686 C ASN B 167 15.981 34.411 47.840 1.00 25.48 C +ATOM 3687 O ASN B 167 15.264 33.954 46.923 1.00 22.84 O +ATOM 3688 CB ASN B 167 18.014 35.169 46.724 1.00 26.29 C +ATOM 3689 CG ASN B 167 19.530 35.085 46.573 1.00 31.78 C +ATOM 3690 OD1 ASN B 167 20.239 35.120 47.592 1.00 29.29 O +ATOM 3691 ND2 ASN B 167 20.011 34.829 45.360 1.00 28.69 N +ATOM 3692 N VAL B 168 15.526 35.130 48.876 1.00 24.99 N +ATOM 3693 CA VAL B 168 14.122 35.463 49.025 1.00 28.16 C +ATOM 3694 C VAL B 168 13.716 36.413 47.953 1.00 30.06 C +ATOM 3695 O VAL B 168 14.379 37.442 47.701 1.00 32.47 O +ATOM 3696 CB VAL B 168 13.815 36.122 50.398 1.00 27.49 C +ATOM 3697 CG1 VAL B 168 12.429 36.737 50.431 1.00 31.27 C +ATOM 3698 CG2 VAL B 168 14.051 35.121 51.468 1.00 29.69 C +ATOM 3699 N VAL B 169 12.653 36.074 47.242 1.00 29.28 N +ATOM 3700 CA VAL B 169 12.114 36.854 46.178 1.00 25.99 C +ATOM 3701 C VAL B 169 10.528 36.841 46.297 1.00 27.44 C +ATOM 3702 O VAL B 169 9.980 36.078 47.097 1.00 27.08 O +ATOM 3703 CB VAL B 169 12.584 36.440 44.754 1.00 29.37 C +ATOM 3704 CG1 VAL B 169 14.143 36.457 44.581 1.00 29.31 C +ATOM 3705 CG2 VAL B 169 12.100 35.012 44.348 1.00 29.75 C +ATOM 3706 N THR B 170 9.898 37.582 45.412 1.00 36.01 N +ATOM 3707 CA THR B 170 8.453 37.639 45.349 1.00 42.58 C +ATOM 3708 C THR B 170 8.001 36.298 44.724 1.00 37.08 C +ATOM 3709 O THR B 170 8.735 35.758 43.890 1.00 31.83 O +ATOM 3710 CB THR B 170 8.008 38.802 44.462 1.00 44.77 C +ATOM 3711 OG1 THR B 170 8.264 38.474 43.105 1.00 48.57 O +ATOM 3712 CG2 THR B 170 8.749 40.180 44.805 1.00 47.92 C +ATOM 3713 N GLU B 171 6.827 35.776 45.116 1.00 32.64 N +ATOM 3714 CA GLU B 171 6.323 34.497 44.646 1.00 31.04 C +ATOM 3715 C GLU B 171 6.316 34.356 43.160 1.00 32.19 C +ATOM 3716 O GLU B 171 6.728 33.328 42.665 1.00 30.85 O +ATOM 3717 CB GLU B 171 4.926 34.110 45.279 1.00 33.45 C +ATOM 3718 CG GLU B 171 5.120 33.574 46.677 1.00 37.91 C +ATOM 3719 CD GLU B 171 3.895 33.151 47.446 1.00 38.70 C +ATOM 3720 OE1 GLU B 171 3.129 32.389 46.917 1.00 43.42 O +ATOM 3721 OE2 GLU B 171 3.757 33.555 48.598 1.00 51.03 O +ATOM 3722 N THR B 172 5.918 35.402 42.416 1.00 30.07 N +ATOM 3723 CA THR B 172 5.843 35.308 40.949 1.00 33.94 C +ATOM 3724 C THR B 172 7.174 35.002 40.308 1.00 34.58 C +ATOM 3725 O THR B 172 7.205 34.424 39.269 1.00 43.60 O +ATOM 3726 CB THR B 172 5.345 36.634 40.255 1.00 40.34 C +ATOM 3727 OG1 THR B 172 5.848 37.779 40.960 1.00 45.87 O +ATOM 3728 CG2 THR B 172 3.837 36.697 40.217 1.00 44.50 C +ATOM 3729 N ASN B 173 8.253 35.431 40.940 1.00 32.54 N +ATOM 3730 CA ASN B 173 9.623 35.146 40.484 1.00 38.96 C +ATOM 3731 C ASN B 173 10.308 33.906 41.085 1.00 31.69 C +ATOM 3732 O ASN B 173 11.490 33.652 40.832 1.00 37.01 O +ATOM 3733 CB ASN B 173 10.484 36.343 40.882 1.00 40.91 C +ATOM 3734 CG ASN B 173 10.211 37.534 40.009 1.00 44.20 C +ATOM 3735 OD1 ASN B 173 10.671 37.574 38.893 1.00 51.62 O +ATOM 3736 ND2 ASN B 173 9.448 38.496 40.521 1.00 43.77 N +ATOM 3737 N ALA B 174 9.618 33.237 41.995 1.00 24.56 N +ATOM 3738 CA ALA B 174 10.262 32.238 42.858 1.00 22.38 C +ATOM 3739 C ALA B 174 10.386 30.909 42.167 1.00 22.41 C +ATOM 3740 O ALA B 174 9.616 30.565 41.217 1.00 22.20 O +ATOM 3741 CB ALA B 174 9.529 32.036 44.177 1.00 20.29 C +ATOM 3742 N ALA B 175 11.384 30.147 42.588 1.00 21.36 N +ATOM 3743 CA ALA B 175 11.621 28.757 42.112 1.00 22.28 C +ATOM 3744 C ALA B 175 10.970 27.760 42.982 1.00 20.37 C +ATOM 3745 O ALA B 175 10.620 26.636 42.506 1.00 22.92 O +ATOM 3746 CB ALA B 175 13.094 28.423 42.008 1.00 21.16 C +ATOM 3747 N LYS B 176 10.866 28.017 44.304 1.00 18.19 N +ATOM 3748 CA LYS B 176 10.359 27.138 45.277 1.00 18.40 C +ATOM 3749 C LYS B 176 10.045 27.850 46.598 1.00 18.91 C +ATOM 3750 O LYS B 176 10.479 29.002 46.771 1.00 18.36 O +ATOM 3751 CB LYS B 176 11.285 25.965 45.590 1.00 23.34 C +ATOM 3752 CG LYS B 176 12.544 26.345 46.308 1.00 25.92 C +ATOM 3753 CD LYS B 176 13.276 25.032 46.644 1.00 33.61 C +ATOM 3754 CE LYS B 176 14.654 25.288 47.230 1.00 44.28 C +ATOM 3755 NZ LYS B 176 14.949 24.107 48.086 1.00 48.75 N +ATOM 3756 N TYR B 177 9.300 27.207 47.446 1.00 17.90 N +ATOM 3757 CA TYR B 177 9.080 27.691 48.812 1.00 18.26 C +ATOM 3758 C TYR B 177 10.221 27.186 49.672 1.00 20.70 C +ATOM 3759 O TYR B 177 10.756 26.050 49.501 1.00 22.56 O +ATOM 3760 CB TYR B 177 7.732 27.231 49.424 1.00 20.02 C +ATOM 3761 CG TYR B 177 6.577 27.959 48.827 1.00 18.05 C +ATOM 3762 CD1 TYR B 177 6.347 29.304 49.078 1.00 19.28 C +ATOM 3763 CD2 TYR B 177 5.617 27.289 48.114 1.00 20.36 C +ATOM 3764 CE1 TYR B 177 5.290 29.984 48.537 1.00 19.63 C +ATOM 3765 CE2 TYR B 177 4.540 27.954 47.584 1.00 18.98 C +ATOM 3766 CZ TYR B 177 4.321 29.283 47.823 1.00 21.60 C +ATOM 3767 OH TYR B 177 3.244 29.980 47.224 1.00 22.08 O +ATOM 3768 N SER B 178 10.603 28.027 50.624 1.00 18.09 N +ATOM 3769 CA SER B 178 11.508 27.641 51.680 1.00 17.66 C +ATOM 3770 C SER B 178 10.989 28.121 53.009 1.00 20.48 C +ATOM 3771 O SER B 178 9.790 28.342 53.158 1.00 17.39 O +ATOM 3772 CB SER B 178 12.970 28.119 51.320 1.00 20.16 C +ATOM 3773 OG SER B 178 13.882 27.562 52.245 1.00 20.87 O +ATOM 3774 N ASP B 179 11.821 28.233 54.037 1.00 16.70 N +ATOM 3775 CA ASP B 179 11.401 28.885 55.312 1.00 18.59 C +ATOM 3776 C ASP B 179 12.608 29.576 55.902 1.00 20.40 C +ATOM 3777 O ASP B 179 13.717 29.457 55.341 1.00 19.91 O +ATOM 3778 CB ASP B 179 10.764 27.945 56.283 1.00 19.64 C +ATOM 3779 CG ASP B 179 11.719 26.813 56.753 1.00 26.92 C +ATOM 3780 OD1 ASP B 179 12.717 27.144 57.427 1.00 23.57 O +ATOM 3781 OD2 ASP B 179 11.422 25.634 56.488 1.00 28.43 O +ATOM 3782 N ASN B 180 12.392 30.382 56.941 1.00 18.62 N +ATOM 3783 CA ASN B 180 13.442 31.211 57.502 1.00 19.96 C +ATOM 3784 C ASN B 180 14.120 30.515 58.719 1.00 19.99 C +ATOM 3785 O ASN B 180 14.837 31.154 59.519 1.00 21.46 O +ATOM 3786 CB ASN B 180 12.890 32.545 57.965 1.00 20.21 C +ATOM 3787 CG ASN B 180 11.830 32.412 59.038 1.00 18.72 C +ATOM 3788 OD1 ASN B 180 11.491 31.359 59.543 1.00 18.64 O +ATOM 3789 ND2 ASN B 180 11.292 33.639 59.445 1.00 19.67 N +ATOM 3790 N GLY B 181 13.805 29.287 59.024 1.00 19.25 N +ATOM 3791 CA GLY B 181 14.395 28.616 60.193 1.00 21.86 C +ATOM 3792 C GLY B 181 13.994 29.068 61.606 1.00 25.21 C +ATOM 3793 O GLY B 181 14.638 28.719 62.636 1.00 22.39 O +ATOM 3794 N GLU B 182 12.933 29.883 61.691 1.00 20.57 N +ATOM 3795 CA GLU B 182 12.477 30.430 62.956 1.00 20.17 C +ATOM 3796 C GLU B 182 11.462 29.636 63.682 1.00 21.62 C +ATOM 3797 O GLU B 182 10.537 30.209 64.333 1.00 22.30 O +ATOM 3798 CB GLU B 182 12.115 31.911 62.736 1.00 19.86 C +ATOM 3799 CG GLU B 182 13.187 32.809 62.214 1.00 21.08 C +ATOM 3800 CD GLU B 182 14.285 33.084 63.283 1.00 24.90 C +ATOM 3801 OE1 GLU B 182 14.225 32.660 64.449 1.00 28.41 O +ATOM 3802 OE2 GLU B 182 15.262 33.713 62.901 1.00 27.68 O +ATOM 3803 N ASP B 183 11.603 28.293 63.696 1.00 19.23 N +ATOM 3804 CA ASP B 183 10.799 27.477 64.529 1.00 19.51 C +ATOM 3805 C ASP B 183 11.307 27.493 65.970 1.00 18.46 C +ATOM 3806 O ASP B 183 12.443 27.897 66.204 1.00 22.57 O +ATOM 3807 CB ASP B 183 10.717 26.039 63.972 1.00 22.04 C +ATOM 3808 CG ASP B 183 12.126 25.340 63.924 1.00 26.99 C +ATOM 3809 OD1 ASP B 183 13.003 25.926 63.327 1.00 27.51 O +ATOM 3810 OD2 ASP B 183 12.196 24.278 64.512 1.00 30.69 O +ATOM 3811 N GLY B 184 10.434 27.178 66.918 1.00 19.10 N +ATOM 3812 CA GLY B 184 10.860 27.212 68.307 1.00 20.21 C +ATOM 3813 C GLY B 184 9.821 26.753 69.255 1.00 21.28 C +ATOM 3814 O GLY B 184 8.699 26.408 68.858 1.00 21.21 O +ATOM 3815 N TYR B 185 10.172 26.690 70.544 1.00 18.64 N +ATOM 3816 CA TYR B 185 9.218 26.240 71.537 1.00 20.09 C +ATOM 3817 C TYR B 185 9.491 26.909 72.880 1.00 16.25 C +ATOM 3818 O TYR B 185 10.588 27.409 73.096 1.00 19.35 O +ATOM 3819 CB TYR B 185 9.144 24.695 71.673 1.00 23.27 C +ATOM 3820 CG TYR B 185 10.451 24.130 72.194 1.00 25.03 C +ATOM 3821 CD1 TYR B 185 11.452 23.815 71.304 1.00 30.89 C +ATOM 3822 CD2 TYR B 185 10.666 24.008 73.546 1.00 31.57 C +ATOM 3823 CE1 TYR B 185 12.680 23.347 71.760 1.00 39.02 C +ATOM 3824 CE2 TYR B 185 11.897 23.519 74.017 1.00 38.54 C +ATOM 3825 CZ TYR B 185 12.879 23.220 73.124 1.00 37.70 C +ATOM 3826 OH TYR B 185 14.092 22.728 73.608 1.00 53.08 O +ATOM 3827 N SER B 186 8.492 26.926 73.730 1.00 19.32 N +ATOM 3828 CA SER B 186 8.676 27.347 75.064 1.00 18.91 C +ATOM 3829 C SER B 186 7.802 26.543 75.986 1.00 20.68 C +ATOM 3830 O SER B 186 6.771 26.017 75.596 1.00 19.92 O +ATOM 3831 CB SER B 186 8.406 28.887 75.191 1.00 20.90 C +ATOM 3832 OG SER B 186 6.978 29.209 75.141 1.00 20.09 O +ATOM 3833 N LEU B 187 8.207 26.446 77.279 1.00 21.65 N +ATOM 3834 CA LEU B 187 7.448 25.699 78.309 1.00 23.00 C +ATOM 3835 C LEU B 187 7.617 26.314 79.675 1.00 20.24 C +ATOM 3836 O LEU B 187 8.681 26.761 79.978 1.00 22.01 O +ATOM 3837 CB LEU B 187 7.975 24.252 78.431 1.00 29.86 C +ATOM 3838 CG LEU B 187 8.003 23.360 77.227 1.00 38.59 C +ATOM 3839 CD1 LEU B 187 9.023 22.201 77.391 1.00 45.17 C +ATOM 3840 CD2 LEU B 187 6.600 22.797 77.045 1.00 43.55 C +ATOM 3841 N SER B 188 6.589 26.353 80.529 1.00 20.95 N +ATOM 3842 CA SER B 188 6.777 26.834 81.862 1.00 20.35 C +ATOM 3843 C SER B 188 5.793 26.241 82.815 1.00 22.83 C +ATOM 3844 O SER B 188 4.772 25.690 82.432 1.00 22.03 O +ATOM 3845 CB SER B 188 6.658 28.365 81.858 1.00 22.05 C +ATOM 3846 OG SER B 188 5.270 28.761 81.724 1.00 20.99 O +ATOM 3847 N ALA B 189 6.178 26.252 84.107 1.00 22.12 N +ATOM 3848 CA ALA B 189 5.385 25.681 85.179 1.00 22.37 C +ATOM 3849 C ALA B 189 5.440 26.615 86.345 1.00 20.04 C +ATOM 3850 O ALA B 189 6.479 27.152 86.652 1.00 23.24 O +ATOM 3851 CB ALA B 189 5.882 24.229 85.576 1.00 22.42 C +ATOM 3852 N ILE B 190 4.310 26.816 86.999 1.00 22.37 N +ATOM 3853 CA ILE B 190 4.230 27.517 88.248 1.00 21.09 C +ATOM 3854 C ILE B 190 3.527 26.617 89.268 1.00 21.79 C +ATOM 3855 O ILE B 190 2.421 26.155 89.028 1.00 21.44 O +ATOM 3856 CB ILE B 190 3.524 28.870 88.099 1.00 20.66 C +ATOM 3857 CG1 ILE B 190 4.385 29.787 87.201 1.00 23.78 C +ATOM 3858 CG2 ILE B 190 3.199 29.491 89.453 1.00 21.53 C +ATOM 3859 CD1 ILE B 190 3.566 30.985 86.704 1.00 23.83 C +ATOM 3860 N TYR B 191 4.183 26.368 90.420 1.00 22.49 N +ATOM 3861 CA TYR B 191 3.536 25.601 91.509 1.00 23.63 C +ATOM 3862 C TYR B 191 3.259 26.554 92.641 1.00 21.58 C +ATOM 3863 O TYR B 191 4.168 27.266 93.140 1.00 22.65 O +ATOM 3864 CB TYR B 191 4.444 24.472 91.953 1.00 24.06 C +ATOM 3865 CG TYR B 191 3.700 23.522 92.799 1.00 26.51 C +ATOM 3866 CD1 TYR B 191 2.872 22.569 92.235 1.00 30.75 C +ATOM 3867 CD2 TYR B 191 3.757 23.631 94.141 1.00 32.15 C +ATOM 3868 CE1 TYR B 191 2.136 21.677 93.008 1.00 37.49 C +ATOM 3869 CE2 TYR B 191 3.036 22.757 94.925 1.00 32.85 C +ATOM 3870 CZ TYR B 191 2.227 21.788 94.341 1.00 36.79 C +ATOM 3871 OH TYR B 191 1.503 20.943 95.128 1.00 47.32 O +ATOM 3872 N THR B 192 1.994 26.620 93.059 1.00 24.73 N +ATOM 3873 CA THR B 192 1.520 27.338 94.211 1.00 23.69 C +ATOM 3874 C THR B 192 1.536 26.376 95.388 1.00 25.59 C +ATOM 3875 O THR B 192 0.855 25.339 95.369 1.00 27.34 O +ATOM 3876 CB THR B 192 0.062 27.802 93.953 1.00 27.62 C +ATOM 3877 OG1 THR B 192 0.083 28.676 92.823 1.00 26.65 O +ATOM 3878 CG2 THR B 192 -0.500 28.519 95.141 1.00 29.25 C +ATOM 3879 N PHE B 193 2.218 26.761 96.461 1.00 23.41 N +ATOM 3880 CA PHE B 193 2.266 25.834 97.632 1.00 23.99 C +ATOM 3881 C PHE B 193 1.089 26.025 98.548 1.00 28.57 C +ATOM 3882 O PHE B 193 1.178 26.702 99.533 1.00 29.01 O +ATOM 3883 CB PHE B 193 3.587 26.082 98.372 1.00 24.59 C +ATOM 3884 CG PHE B 193 4.755 25.529 97.655 1.00 25.93 C +ATOM 3885 CD1 PHE B 193 5.073 24.187 97.795 1.00 28.87 C +ATOM 3886 CD2 PHE B 193 5.531 26.294 96.818 1.00 28.20 C +ATOM 3887 CE1 PHE B 193 6.155 23.620 97.151 1.00 31.39 C +ATOM 3888 CE2 PHE B 193 6.643 25.731 96.204 1.00 28.60 C +ATOM 3889 CZ PHE B 193 6.940 24.382 96.354 1.00 29.19 C +ATOM 3890 N GLY B 194 -0.042 25.455 98.175 1.00 27.22 N +ATOM 3891 CA GLY B 194 -1.156 25.420 99.084 1.00 29.81 C +ATOM 3892 C GLY B 194 -1.577 26.792 99.571 1.00 29.75 C +ATOM 3893 O GLY B 194 -1.706 27.742 98.773 1.00 33.86 O +ATOM 3894 N ASP B 195 -1.800 26.906 100.888 1.00 28.42 N +ATOM 3895 CA ASP B 195 -2.205 28.185 101.520 1.00 26.31 C +ATOM 3896 C ASP B 195 -1.006 28.986 102.091 1.00 29.55 C +ATOM 3897 O ASP B 195 -1.205 29.869 102.895 1.00 28.25 O +ATOM 3898 CB ASP B 195 -3.187 27.934 102.657 1.00 29.50 C +ATOM 3899 CG ASP B 195 -4.361 27.087 102.225 1.00 33.13 C +ATOM 3900 OD1 ASP B 195 -4.861 27.424 101.124 1.00 33.85 O +ATOM 3901 OD2 ASP B 195 -4.747 26.119 102.933 1.00 29.48 O +ATOM 3902 N THR B 196 0.220 28.706 101.631 1.00 26.86 N +ATOM 3903 CA THR B 196 1.406 29.315 102.287 1.00 25.35 C +ATOM 3904 C THR B 196 1.753 30.732 101.848 1.00 28.26 C +ATOM 3905 O THR B 196 2.520 31.423 102.508 1.00 26.41 O +ATOM 3906 CB THR B 196 2.628 28.417 102.055 1.00 26.20 C +ATOM 3907 OG1 THR B 196 2.921 28.354 100.635 1.00 24.89 O +ATOM 3908 CG2 THR B 196 2.402 26.993 102.488 1.00 25.29 C +ATOM 3909 N GLY B 197 1.249 31.137 100.669 1.00 25.32 N +ATOM 3910 CA GLY B 197 1.622 32.394 100.005 1.00 26.60 C +ATOM 3911 C GLY B 197 2.854 32.315 99.081 1.00 23.56 C +ATOM 3912 O GLY B 197 3.237 33.338 98.475 1.00 24.51 O +ATOM 3913 N PHE B 198 3.472 31.148 99.030 1.00 24.69 N +ATOM 3914 CA PHE B 198 4.685 30.890 98.223 1.00 21.06 C +ATOM 3915 C PHE B 198 4.324 30.276 96.871 1.00 24.92 C +ATOM 3916 O PHE B 198 3.533 29.306 96.802 1.00 23.54 O +ATOM 3917 CB PHE B 198 5.610 29.892 98.918 1.00 23.48 C +ATOM 3918 CG PHE B 198 6.336 30.455 100.103 1.00 24.05 C +ATOM 3919 CD1 PHE B 198 7.464 31.220 99.937 1.00 25.16 C +ATOM 3920 CD2 PHE B 198 5.874 30.239 101.423 1.00 28.62 C +ATOM 3921 CE1 PHE B 198 8.116 31.766 101.008 1.00 27.49 C +ATOM 3922 CE2 PHE B 198 6.566 30.778 102.508 1.00 29.16 C +ATOM 3923 CZ PHE B 198 7.674 31.557 102.298 1.00 28.22 C +ATOM 3924 N ASN B 199 5.007 30.779 95.811 1.00 22.58 N +ATOM 3925 CA ASN B 199 5.005 30.189 94.453 1.00 25.05 C +ATOM 3926 C ASN B 199 6.441 29.999 93.957 1.00 18.08 C +ATOM 3927 O ASN B 199 7.316 30.749 94.348 1.00 21.60 O +ATOM 3928 CB ASN B 199 4.338 31.153 93.447 1.00 24.47 C +ATOM 3929 CG ASN B 199 2.860 31.136 93.569 1.00 33.87 C +ATOM 3930 OD1 ASN B 199 2.205 30.307 92.953 1.00 39.30 O +ATOM 3931 ND2 ASN B 199 2.327 31.968 94.422 1.00 43.07 N +ATOM 3932 N VAL B 200 6.637 28.985 93.193 1.00 19.21 N +ATOM 3933 CA VAL B 200 7.879 28.815 92.446 1.00 18.37 C +ATOM 3934 C VAL B 200 7.505 28.616 90.966 1.00 21.51 C +ATOM 3935 O VAL B 200 6.418 28.087 90.621 1.00 22.57 O +ATOM 3936 CB VAL B 200 8.720 27.626 92.981 1.00 24.21 C +ATOM 3937 CG1 VAL B 200 9.248 27.947 94.381 1.00 25.01 C +ATOM 3938 CG2 VAL B 200 7.983 26.290 92.883 1.00 26.83 C +ATOM 3939 N GLY B 201 8.411 29.055 90.135 1.00 21.27 N +ATOM 3940 CA GLY B 201 8.257 29.024 88.689 1.00 21.84 C +ATOM 3941 C GLY B 201 9.505 28.652 87.986 1.00 19.44 C +ATOM 3942 O GLY B 201 10.606 28.969 88.427 1.00 21.52 O +ATOM 3943 N ALA B 202 9.355 27.960 86.879 1.00 22.90 N +ATOM 3944 CA ALA B 202 10.498 27.609 86.007 1.00 18.83 C +ATOM 3945 C ALA B 202 10.029 27.516 84.552 1.00 23.04 C +ATOM 3946 O ALA B 202 8.875 27.178 84.311 1.00 22.55 O +ATOM 3947 CB ALA B 202 11.028 26.238 86.425 1.00 22.58 C +ATOM 3948 N GLY B 203 10.920 27.768 83.611 1.00 20.83 N +ATOM 3949 CA GLY B 203 10.580 27.516 82.244 1.00 24.36 C +ATOM 3950 C GLY B 203 11.771 27.544 81.384 1.00 22.08 C +ATOM 3951 O GLY B 203 12.863 27.914 81.823 1.00 22.01 O +ATOM 3952 N TYR B 204 11.547 27.195 80.115 1.00 21.41 N +ATOM 3953 CA ATYR B 204 12.624 27.305 79.142 0.70 20.23 C +ATOM 3954 CA BTYR B 204 12.625 27.082 79.113 0.30 19.92 C +ATOM 3955 C TYR B 204 12.098 27.471 77.720 1.00 22.75 C +ATOM 3956 O TYR B 204 10.902 27.316 77.495 1.00 21.95 O +ATOM 3957 CB ATYR B 204 13.584 26.107 79.231 0.70 26.17 C +ATOM 3958 CB BTYR B 204 13.169 25.614 79.084 0.30 19.88 C +ATOM 3959 CG ATYR B 204 13.017 24.729 79.018 0.70 27.84 C +ATOM 3960 CG BTYR B 204 14.402 25.409 78.191 0.30 19.52 C +ATOM 3961 CD1ATYR B 204 12.315 24.065 80.014 0.70 31.30 C +ATOM 3962 CD1BTYR B 204 15.652 25.801 78.629 0.30 21.22 C +ATOM 3963 CD2ATYR B 204 13.225 24.064 77.804 0.70 36.30 C +ATOM 3964 CD2BTYR B 204 14.316 24.811 76.958 0.30 20.18 C +ATOM 3965 CE1ATYR B 204 11.816 22.786 79.810 0.70 34.07 C +ATOM 3966 CE1BTYR B 204 16.780 25.664 77.841 0.30 22.64 C +ATOM 3967 CE2ATYR B 204 12.753 22.773 77.605 0.70 35.72 C +ATOM 3968 CE2BTYR B 204 15.449 24.653 76.159 0.30 21.93 C +ATOM 3969 CZ ATYR B 204 12.057 22.142 78.614 0.70 38.03 C +ATOM 3970 CZ BTYR B 204 16.671 25.093 76.613 0.30 22.96 C +ATOM 3971 OH ATYR B 204 11.568 20.873 78.377 0.70 39.58 O +ATOM 3972 OH BTYR B 204 17.817 24.933 75.863 0.30 27.47 O +ATOM 3973 N ALA B 205 12.997 27.859 76.829 1.00 20.80 N +ATOM 3974 CA ALA B 205 12.670 28.174 75.412 1.00 22.12 C +ATOM 3975 C ALA B 205 13.869 28.051 74.546 1.00 21.53 C +ATOM 3976 O ALA B 205 15.020 28.241 74.996 1.00 21.33 O +ATOM 3977 CB ALA B 205 12.138 29.549 75.278 1.00 20.82 C +ATOM 3978 N ASP B 206 13.583 27.736 73.315 1.00 22.54 N +ATOM 3979 CA ASP B 206 14.561 27.619 72.277 1.00 21.68 C +ATOM 3980 C ASP B 206 13.996 27.992 70.892 1.00 23.51 C +ATOM 3981 O ASP B 206 12.921 27.599 70.581 1.00 24.26 O +ATOM 3982 CB ASP B 206 15.002 26.156 72.226 1.00 23.88 C +ATOM 3983 CG ASP B 206 16.132 25.923 71.227 1.00 27.88 C +ATOM 3984 OD1 ASP B 206 15.902 25.725 70.063 1.00 30.08 O +ATOM 3985 OD2 ASP B 206 17.298 26.058 71.617 1.00 29.92 O +ATOM 3986 N GLN B 207 14.776 28.733 70.147 1.00 20.80 N +ATOM 3987 CA GLN B 207 14.410 29.257 68.817 1.00 20.62 C +ATOM 3988 C GLN B 207 15.663 29.576 68.067 1.00 19.70 C +ATOM 3989 O GLN B 207 16.397 30.542 68.338 1.00 21.52 O +ATOM 3990 CB GLN B 207 13.563 30.510 68.920 1.00 18.81 C +ATOM 3991 CG GLN B 207 13.094 30.957 67.531 1.00 20.68 C +ATOM 3992 CD GLN B 207 12.308 32.242 67.621 1.00 19.73 C +ATOM 3993 OE1 GLN B 207 11.628 32.478 68.667 1.00 21.23 O +ATOM 3994 NE2 GLN B 207 12.288 32.994 66.530 1.00 21.70 N +ATOM 3995 N ASP B 208 15.953 28.682 67.108 1.00 25.87 N +ATOM 3996 CA ASP B 208 17.149 28.793 66.265 1.00 27.50 C +ATOM 3997 C ASP B 208 18.461 28.906 67.149 1.00 24.97 C +ATOM 3998 O ASP B 208 18.687 28.059 67.967 1.00 29.40 O +ATOM 3999 CB ASP B 208 16.996 29.925 65.261 1.00 32.24 C +ATOM 4000 CG ASP B 208 18.075 29.901 64.169 1.00 35.32 C +ATOM 4001 OD1 ASP B 208 18.542 28.811 63.868 1.00 41.57 O +ATOM 4002 OD2 ASP B 208 18.450 30.963 63.680 1.00 41.17 O +ATOM 4003 N ASP B 209 19.180 29.987 67.054 1.00 29.56 N +ATOM 4004 CA ASP B 209 20.434 30.183 67.810 1.00 32.76 C +ATOM 4005 C ASP B 209 20.209 30.882 69.172 1.00 31.53 C +ATOM 4006 O ASP B 209 21.191 31.337 69.843 1.00 30.14 O +ATOM 4007 CB ASP B 209 21.394 31.012 66.965 1.00 37.72 C +ATOM 4008 CG ASP B 209 20.849 32.408 66.638 1.00 43.48 C +ATOM 4009 OD1 ASP B 209 19.603 32.627 66.655 1.00 43.84 O +ATOM 4010 OD2 ASP B 209 21.648 33.291 66.333 1.00 49.10 O +ATOM 4011 N GLN B 210 18.955 30.901 69.643 1.00 25.45 N +ATOM 4012 CA GLN B 210 18.659 31.518 70.943 1.00 25.96 C +ATOM 4013 C GLN B 210 18.054 30.492 71.856 1.00 24.23 C +ATOM 4014 O GLN B 210 17.347 29.648 71.416 1.00 22.09 O +ATOM 4015 CB GLN B 210 17.686 32.721 70.680 1.00 29.12 C +ATOM 4016 CG GLN B 210 18.330 33.917 69.997 1.00 31.24 C +ATOM 4017 CD GLN B 210 17.488 35.209 70.133 1.00 34.16 C +ATOM 4018 OE1 GLN B 210 16.287 35.103 70.141 1.00 28.47 O +ATOM 4019 NE2 GLN B 210 18.128 36.375 70.370 1.00 34.84 N +ATOM 4020 N ASN B 211 18.381 30.530 73.139 1.00 24.14 N +ATOM 4021 CA ASN B 211 17.803 29.620 74.148 1.00 24.06 C +ATOM 4022 C ASN B 211 17.905 30.267 75.528 1.00 19.99 C +ATOM 4023 O ASN B 211 18.712 31.186 75.719 1.00 23.73 O +ATOM 4024 CB ASN B 211 18.474 28.246 74.116 1.00 25.42 C +ATOM 4025 CG ASN B 211 19.961 28.352 74.217 1.00 29.08 C +ATOM 4026 OD1 ASN B 211 20.690 28.327 73.192 1.00 30.09 O +ATOM 4027 ND2 ASN B 211 20.424 28.570 75.436 1.00 25.43 N +ATOM 4028 N GLU B 212 17.056 29.831 76.436 1.00 20.97 N +ATOM 4029 CA GLU B 212 17.107 30.321 77.792 1.00 21.92 C +ATOM 4030 C GLU B 212 16.298 29.501 78.719 1.00 19.87 C +ATOM 4031 O GLU B 212 15.365 28.791 78.351 1.00 19.83 O +ATOM 4032 CB GLU B 212 16.610 31.779 77.841 1.00 22.30 C +ATOM 4033 CG GLU B 212 15.104 31.926 77.614 1.00 21.40 C +ATOM 4034 CD GLU B 212 14.707 33.392 77.601 1.00 21.54 C +ATOM 4035 OE1 GLU B 212 15.249 34.292 78.296 1.00 20.66 O +ATOM 4036 OE2 GLU B 212 13.731 33.691 76.849 1.00 20.79 O +ATOM 4037 N TYR B 213 16.658 29.610 80.000 1.00 20.37 N +ATOM 4038 CA TYR B 213 15.766 29.142 81.073 1.00 20.86 C +ATOM 4039 C TYR B 213 15.661 30.196 82.127 1.00 16.65 C +ATOM 4040 O TYR B 213 16.447 31.121 82.234 1.00 20.03 O +ATOM 4041 CB TYR B 213 16.233 27.797 81.656 1.00 23.00 C +ATOM 4042 CG TYR B 213 17.506 27.878 82.485 1.00 25.65 C +ATOM 4043 CD1 TYR B 213 18.786 27.840 81.876 1.00 27.66 C +ATOM 4044 CD2 TYR B 213 17.431 28.028 83.856 1.00 29.12 C +ATOM 4045 CE1 TYR B 213 19.947 27.899 82.673 1.00 30.56 C +ATOM 4046 CE2 TYR B 213 18.594 28.118 84.625 1.00 33.61 C +ATOM 4047 CZ TYR B 213 19.815 28.010 84.026 1.00 31.06 C +ATOM 4048 OH TYR B 213 20.932 28.106 84.832 1.00 36.28 O +ATOM 4049 N MET B 214 14.605 30.059 82.923 1.00 22.03 N +ATOM 4050 CA MET B 214 14.337 30.954 83.987 1.00 21.49 C +ATOM 4051 C MET B 214 13.864 30.158 85.231 1.00 19.62 C +ATOM 4052 O MET B 214 13.237 29.127 85.128 1.00 19.04 O +ATOM 4053 CB MET B 214 13.157 31.888 83.645 1.00 21.00 C +ATOM 4054 CG MET B 214 13.533 32.809 82.599 1.00 21.20 C +ATOM 4055 SD MET B 214 12.090 33.964 82.223 1.00 21.30 S +ATOM 4056 CE MET B 214 13.032 34.932 81.156 1.00 25.05 C +ATOM 4057 N LEU B 215 14.231 30.693 86.397 1.00 21.58 N +ATOM 4058 CA LEU B 215 13.841 30.191 87.727 1.00 21.92 C +ATOM 4059 C LEU B 215 13.342 31.313 88.490 1.00 16.63 C +ATOM 4060 O LEU B 215 13.939 32.397 88.546 1.00 21.57 O +ATOM 4061 CB LEU B 215 15.028 29.525 88.478 1.00 22.28 C +ATOM 4062 CG LEU B 215 15.678 28.445 87.645 1.00 29.04 C +ATOM 4063 CD1 LEU B 215 17.003 28.014 88.329 1.00 31.25 C +ATOM 4064 CD2 LEU B 215 14.781 27.263 87.541 1.00 29.04 C +ATOM 4065 N ALA B 216 12.235 31.106 89.177 1.00 19.23 N +ATOM 4066 CA ALA B 216 11.676 32.163 89.992 1.00 19.02 C +ATOM 4067 C ALA B 216 11.005 31.676 91.281 1.00 18.43 C +ATOM 4068 O ALA B 216 10.511 30.583 91.336 1.00 20.83 O +ATOM 4069 CB ALA B 216 10.655 33.019 89.155 1.00 21.97 C +ATOM 4070 N ALA B 217 10.902 32.573 92.241 1.00 18.75 N +ATOM 4071 CA ALA B 217 10.135 32.341 93.468 1.00 21.22 C +ATOM 4072 C ALA B 217 9.489 33.601 94.005 1.00 18.70 C +ATOM 4073 O ALA B 217 10.032 34.723 93.883 1.00 21.80 O +ATOM 4074 CB ALA B 217 11.082 31.694 94.503 1.00 24.87 C +ATOM 4075 N SER B 218 8.349 33.469 94.689 1.00 21.75 N +ATOM 4076 CA SER B 218 7.705 34.628 95.260 1.00 19.76 C +ATOM 4077 C SER B 218 6.960 34.275 96.554 1.00 19.12 C +ATOM 4078 O SER B 218 6.615 33.127 96.751 1.00 21.44 O +ATOM 4079 CB SER B 218 6.678 35.249 94.259 1.00 20.67 C +ATOM 4080 OG SER B 218 5.615 34.368 94.070 1.00 23.38 O +ATOM 4081 N TYR B 219 6.798 35.261 97.398 1.00 19.55 N +ATOM 4082 CA TYR B 219 6.023 35.181 98.614 1.00 23.07 C +ATOM 4083 C TYR B 219 5.078 36.330 98.690 1.00 22.63 C +ATOM 4084 O TYR B 219 5.468 37.503 98.662 1.00 21.27 O +ATOM 4085 CB TYR B 219 6.979 35.166 99.825 1.00 25.51 C +ATOM 4086 CG TYR B 219 6.299 34.996 101.133 1.00 27.96 C +ATOM 4087 CD1 TYR B 219 5.377 34.008 101.311 1.00 25.96 C +ATOM 4088 CD2 TYR B 219 6.635 35.794 102.220 1.00 29.08 C +ATOM 4089 CE1 TYR B 219 4.720 33.835 102.509 1.00 26.34 C +ATOM 4090 CE2 TYR B 219 5.974 35.626 103.450 1.00 30.54 C +ATOM 4091 CZ TYR B 219 4.987 34.654 103.554 1.00 29.45 C +ATOM 4092 OH TYR B 219 4.300 34.448 104.768 1.00 29.07 O +ATOM 4093 N ARG B 220 3.810 36.019 98.940 1.00 26.50 N +ATOM 4094 CA ARG B 220 2.787 37.091 99.084 1.00 28.68 C +ATOM 4095 C ARG B 220 2.068 36.908 100.392 1.00 29.05 C +ATOM 4096 O ARG B 220 1.600 35.783 100.659 1.00 29.74 O +ATOM 4097 CB ARG B 220 1.859 36.909 97.858 1.00 28.72 C +ATOM 4098 CG ARG B 220 0.842 37.982 97.581 1.00 36.16 C +ATOM 4099 CD ARG B 220 0.225 37.661 96.205 1.00 39.83 C +ATOM 4100 NE ARG B 220 -0.933 38.509 95.940 1.00 50.18 N +ATOM 4101 CZ ARG B 220 -1.417 38.838 94.740 1.00 50.57 C +ATOM 4102 NH1 ARG B 220 -0.831 38.436 93.604 1.00 45.96 N +ATOM 4103 NH2 ARG B 220 -2.494 39.613 94.678 1.00 54.50 N +ATOM 4104 N MET B 221 2.076 37.912 101.262 1.00 29.63 N +ATOM 4105 CA MET B 221 1.349 37.722 102.556 1.00 36.61 C +ATOM 4106 C MET B 221 1.012 39.024 103.085 1.00 37.63 C +ATOM 4107 O MET B 221 1.918 39.813 103.258 1.00 39.13 O +ATOM 4108 CB MET B 221 2.190 36.956 103.654 1.00 42.22 C +ATOM 4109 CG MET B 221 1.424 36.606 104.968 1.00 43.82 C +ATOM 4110 SD MET B 221 -0.009 35.440 104.873 1.00 37.41 S +ATOM 4111 CE MET B 221 0.726 34.099 103.915 1.00 38.44 C +ATOM 4112 N GLU B 222 -0.272 39.247 103.408 1.00 41.53 N +ATOM 4113 CA GLU B 222 -0.688 40.427 104.226 1.00 49.72 C +ATOM 4114 C GLU B 222 -0.145 41.796 103.688 1.00 51.48 C +ATOM 4115 O GLU B 222 0.660 42.456 104.368 1.00 54.35 O +ATOM 4116 CB GLU B 222 -0.253 40.243 105.716 1.00 54.59 C +ATOM 4117 CG GLU B 222 -0.888 39.060 106.457 1.00 58.38 C +ATOM 4118 CD GLU B 222 -2.241 39.395 107.123 1.00 57.47 C +ATOM 4119 OE1 GLU B 222 -2.257 39.932 108.262 1.00 58.88 O +ATOM 4120 OE2 GLU B 222 -3.302 39.076 106.521 1.00 49.37 O +ATOM 4121 N ASN B 223 -0.548 42.177 102.470 1.00 38.21 N +ATOM 4122 CA ASN B 223 -0.153 43.462 101.841 1.00 36.91 C +ATOM 4123 C ASN B 223 1.337 43.663 101.483 1.00 26.91 C +ATOM 4124 O ASN B 223 1.786 44.785 101.217 1.00 29.46 O +ATOM 4125 CB ASN B 223 -0.742 44.626 102.617 1.00 38.07 C +ATOM 4126 CG ASN B 223 -2.288 44.647 102.513 1.00 48.62 C +ATOM 4127 OD1 ASN B 223 -2.958 44.713 103.511 1.00 54.52 O +ATOM 4128 ND2 ASN B 223 -2.839 44.516 101.274 1.00 50.96 N +ATOM 4129 N LEU B 224 2.064 42.557 101.478 1.00 25.15 N +ATOM 4130 CA LEU B 224 3.458 42.534 101.139 1.00 24.83 C +ATOM 4131 C LEU B 224 3.771 41.441 100.134 1.00 23.16 C +ATOM 4132 O LEU B 224 3.195 40.334 100.105 1.00 24.44 O +ATOM 4133 CB LEU B 224 4.335 42.306 102.405 1.00 26.93 C +ATOM 4134 CG LEU B 224 4.476 43.435 103.449 1.00 33.14 C +ATOM 4135 CD1 LEU B 224 5.231 42.910 104.719 1.00 35.54 C +ATOM 4136 CD2 LEU B 224 5.165 44.677 102.886 1.00 34.50 C +ATOM 4137 N TYR B 225 4.825 41.706 99.366 1.00 21.95 N +ATOM 4138 CA TYR B 225 5.202 40.804 98.294 1.00 22.58 C +ATOM 4139 C TYR B 225 6.662 40.894 97.998 1.00 20.04 C +ATOM 4140 O TYR B 225 7.242 41.988 97.996 1.00 22.68 O +ATOM 4141 CB TYR B 225 4.412 41.164 97.014 1.00 22.76 C +ATOM 4142 CG TYR B 225 4.792 40.317 95.828 1.00 21.66 C +ATOM 4143 CD1 TYR B 225 4.147 39.121 95.583 1.00 20.29 C +ATOM 4144 CD2 TYR B 225 5.742 40.754 94.908 1.00 20.35 C +ATOM 4145 CE1 TYR B 225 4.457 38.333 94.461 1.00 22.09 C +ATOM 4146 CE2 TYR B 225 6.070 39.986 93.787 1.00 20.42 C +ATOM 4147 CZ TYR B 225 5.434 38.791 93.566 1.00 19.88 C +ATOM 4148 OH TYR B 225 5.663 37.993 92.499 1.00 19.85 O +ATOM 4149 N PHE B 226 7.289 39.764 97.848 1.00 21.97 N +ATOM 4150 CA PHE B 226 8.683 39.663 97.481 1.00 22.05 C +ATOM 4151 C PHE B 226 8.886 38.585 96.483 1.00 22.33 C +ATOM 4152 O PHE B 226 8.306 37.494 96.540 1.00 21.76 O +ATOM 4153 CB PHE B 226 9.568 39.297 98.735 1.00 26.99 C +ATOM 4154 CG PHE B 226 9.447 40.247 99.890 1.00 32.00 C +ATOM 4155 CD1 PHE B 226 8.417 40.082 100.860 1.00 36.99 C +ATOM 4156 CD2 PHE B 226 10.307 41.367 99.995 1.00 35.04 C +ATOM 4157 CE1 PHE B 226 8.268 41.022 101.893 1.00 35.76 C +ATOM 4158 CE2 PHE B 226 10.173 42.279 101.038 1.00 38.29 C +ATOM 4159 CZ PHE B 226 9.149 42.104 101.984 1.00 38.53 C +ATOM 4160 N ALA B 227 9.849 38.814 95.579 1.00 19.47 N +ATOM 4161 CA ALA B 227 10.165 37.837 94.582 1.00 20.65 C +ATOM 4162 C ALA B 227 11.530 37.965 93.991 1.00 17.45 C +ATOM 4163 O ALA B 227 12.139 39.013 94.109 1.00 20.24 O +ATOM 4164 CB ALA B 227 9.118 37.969 93.436 1.00 20.67 C +ATOM 4165 N GLY B 228 11.993 36.861 93.403 1.00 18.54 N +ATOM 4166 CA GLY B 228 13.253 36.766 92.671 1.00 18.19 C +ATOM 4167 C GLY B 228 13.077 35.986 91.390 1.00 19.60 C +ATOM 4168 O GLY B 228 12.268 35.062 91.273 1.00 21.98 O +ATOM 4169 N LEU B 229 13.963 36.312 90.432 1.00 20.83 N +ATOM 4170 CA LEU B 229 13.973 35.766 89.099 1.00 19.80 C +ATOM 4171 C LEU B 229 15.379 35.739 88.555 1.00 17.03 C +ATOM 4172 O LEU B 229 16.099 36.698 88.660 1.00 20.44 O +ATOM 4173 CB LEU B 229 13.116 36.690 88.174 1.00 20.82 C +ATOM 4174 CG LEU B 229 13.074 36.322 86.668 1.00 21.44 C +ATOM 4175 CD1 LEU B 229 12.361 35.016 86.393 1.00 21.86 C +ATOM 4176 CD2 LEU B 229 12.441 37.504 85.889 1.00 22.08 C +ATOM 4177 N PHE B 230 15.693 34.594 88.031 1.00 18.97 N +ATOM 4178 CA PHE B 230 16.928 34.333 87.301 1.00 20.06 C +ATOM 4179 C PHE B 230 16.703 33.804 85.905 1.00 21.82 C +ATOM 4180 O PHE B 230 15.921 32.899 85.714 1.00 21.44 O +ATOM 4181 CB PHE B 230 17.717 33.325 88.180 1.00 24.29 C +ATOM 4182 CG PHE B 230 19.025 32.883 87.567 1.00 23.15 C +ATOM 4183 CD1 PHE B 230 20.144 33.679 87.724 1.00 28.89 C +ATOM 4184 CD2 PHE B 230 19.107 31.689 86.870 1.00 26.19 C +ATOM 4185 CE1 PHE B 230 21.350 33.299 87.124 1.00 27.93 C +ATOM 4186 CE2 PHE B 230 20.337 31.294 86.275 1.00 25.66 C +ATOM 4187 CZ PHE B 230 21.404 32.136 86.397 1.00 25.57 C +ATOM 4188 N THR B 231 17.466 34.359 84.958 1.00 20.53 N +ATOM 4189 CA THR B 231 17.395 34.055 83.521 1.00 20.27 C +ATOM 4190 C THR B 231 18.817 33.788 83.036 1.00 19.13 C +ATOM 4191 O THR B 231 19.681 34.583 83.347 1.00 22.10 O +ATOM 4192 CB THR B 231 16.857 35.265 82.733 1.00 19.59 C +ATOM 4193 OG1 THR B 231 15.535 35.579 83.229 1.00 22.77 O +ATOM 4194 CG2 THR B 231 16.761 34.901 81.284 1.00 23.29 C +ATOM 4195 N ASP B 232 18.986 32.720 82.283 1.00 22.02 N +ATOM 4196 CA ASP B 232 20.264 32.467 81.645 1.00 22.47 C +ATOM 4197 C ASP B 232 20.100 31.759 80.357 1.00 23.08 C +ATOM 4198 O ASP B 232 19.266 30.833 80.186 1.00 21.75 O +ATOM 4199 CB ASP B 232 21.133 31.524 82.548 1.00 26.58 C +ATOM 4200 CG ASP B 232 22.586 31.395 82.031 1.00 28.08 C +ATOM 4201 OD1 ASP B 232 23.334 32.385 82.020 1.00 33.34 O +ATOM 4202 OD2 ASP B 232 22.919 30.289 81.671 1.00 35.60 O +ATOM 4203 N GLY B 233 20.905 32.207 79.409 1.00 23.15 N +ATOM 4204 CA GLY B 233 20.903 31.592 78.155 1.00 27.87 C +ATOM 4205 C GLY B 233 21.816 32.236 77.134 1.00 25.01 C +ATOM 4206 O GLY B 233 22.892 32.786 77.447 1.00 23.43 O +ATOM 4207 N GLU B 234 21.403 32.112 75.876 1.00 26.24 N +ATOM 4208 CA GLU B 234 22.116 32.686 74.717 1.00 25.93 C +ATOM 4209 C GLU B 234 21.189 33.506 73.815 1.00 25.66 C +ATOM 4210 O GLU B 234 20.089 33.024 73.479 1.00 28.12 O +ATOM 4211 CB GLU B 234 22.654 31.502 73.882 1.00 30.00 C +ATOM 4212 CG GLU B 234 23.806 30.800 74.542 1.00 37.55 C +ATOM 4213 CD GLU B 234 24.432 29.726 73.671 1.00 44.02 C +ATOM 4214 OE1 GLU B 234 23.708 28.874 73.083 1.00 36.64 O +ATOM 4215 OE2 GLU B 234 25.684 29.734 73.593 1.00 51.14 O +ATOM 4216 N LEU B 235 21.605 34.741 73.529 1.00 28.41 N +ATOM 4217 CA LEU B 235 20.970 35.622 72.563 1.00 32.19 C +ATOM 4218 C LEU B 235 21.494 35.483 71.159 1.00 34.95 C +ATOM 4219 O LEU B 235 20.888 35.993 70.232 1.00 39.87 O +ATOM 4220 CB LEU B 235 21.085 37.087 72.977 1.00 35.11 C +ATOM 4221 CG LEU B 235 20.418 37.426 74.324 1.00 36.17 C +ATOM 4222 CD1 LEU B 235 20.398 38.952 74.494 1.00 37.97 C +ATOM 4223 CD2 LEU B 235 19.030 36.831 74.518 1.00 39.78 C +ATOM 4224 N ALA B 236 22.613 34.812 70.997 1.00 40.95 N +ATOM 4225 CA ALA B 236 23.114 34.499 69.645 1.00 42.79 C +ATOM 4226 C ALA B 236 24.175 33.494 69.875 1.00 47.59 C +ATOM 4227 O ALA B 236 24.494 33.174 71.032 1.00 42.53 O +ATOM 4228 CB ALA B 236 23.702 35.731 68.955 1.00 43.42 C +ATOM 4229 N LYS B 237 24.705 32.963 68.778 1.00 55.46 N +ATOM 4230 CA LYS B 237 25.842 32.052 68.814 1.00 55.81 C +ATOM 4231 C LYS B 237 26.952 32.721 69.589 1.00 53.81 C +ATOM 4232 O LYS B 237 27.334 33.835 69.259 1.00 62.15 O +ATOM 4233 CB LYS B 237 26.294 31.759 67.372 1.00 61.11 C +ATOM 4234 CG LYS B 237 27.458 30.790 67.230 1.00 64.93 C +ATOM 4235 CD LYS B 237 27.123 29.387 67.703 1.00 66.80 C +ATOM 4236 CE LYS B 237 28.225 28.419 67.291 1.00 71.70 C +ATOM 4237 NZ LYS B 237 28.658 27.581 68.444 1.00 73.54 N +ATOM 4238 N ASP B 238 27.439 32.053 70.631 1.00 53.17 N +ATOM 4239 CA ASP B 238 28.498 32.571 71.497 1.00 59.17 C +ATOM 4240 C ASP B 238 28.225 33.937 72.138 1.00 53.45 C +ATOM 4241 O ASP B 238 29.136 34.711 72.351 1.00 60.33 O +ATOM 4242 CB ASP B 238 29.835 32.566 70.726 1.00 63.94 C +ATOM 4243 CG ASP B 238 30.311 31.177 70.457 1.00 71.81 C +ATOM 4244 OD1 ASP B 238 30.566 30.451 71.447 1.00 67.82 O +ATOM 4245 OD2 ASP B 238 30.382 30.801 69.270 1.00 80.75 O +ATOM 4246 N VAL B 239 26.958 34.223 72.448 1.00 51.43 N +ATOM 4247 CA VAL B 239 26.569 35.480 73.065 1.00 40.01 C +ATOM 4248 C VAL B 239 25.706 35.134 74.286 1.00 37.82 C +ATOM 4249 O VAL B 239 24.482 34.855 74.171 1.00 33.38 O +ATOM 4250 CB VAL B 239 25.798 36.392 72.088 1.00 43.68 C +ATOM 4251 CG1 VAL B 239 25.319 37.643 72.808 1.00 44.49 C +ATOM 4252 CG2 VAL B 239 26.712 36.791 70.930 1.00 46.85 C +ATOM 4253 N ASP B 240 26.337 35.184 75.455 1.00 31.57 N +ATOM 4254 CA ASP B 240 25.652 34.748 76.647 1.00 31.57 C +ATOM 4255 C ASP B 240 24.816 35.890 77.178 1.00 24.79 C +ATOM 4256 O ASP B 240 25.081 37.041 76.902 1.00 29.01 O +ATOM 4257 CB ASP B 240 26.670 34.242 77.653 1.00 35.04 C +ATOM 4258 CG ASP B 240 27.456 33.067 77.095 1.00 40.24 C +ATOM 4259 OD1 ASP B 240 26.866 32.038 76.794 1.00 40.97 O +ATOM 4260 OD2 ASP B 240 28.652 33.218 76.870 1.00 51.18 O +ATOM 4261 N TYR B 241 23.819 35.531 77.981 1.00 24.97 N +ATOM 4262 CA TYR B 241 22.973 36.462 78.674 1.00 25.04 C +ATOM 4263 C TYR B 241 22.595 35.871 80.021 1.00 25.35 C +ATOM 4264 O TYR B 241 22.177 34.719 80.101 1.00 24.93 O +ATOM 4265 CB TYR B 241 21.694 36.723 77.827 1.00 24.56 C +ATOM 4266 CG TYR B 241 20.694 37.610 78.544 1.00 21.34 C +ATOM 4267 CD1 TYR B 241 20.787 38.942 78.460 1.00 21.40 C +ATOM 4268 CD2 TYR B 241 19.704 37.078 79.362 1.00 23.26 C +ATOM 4269 CE1 TYR B 241 19.905 39.801 79.106 1.00 21.16 C +ATOM 4270 CE2 TYR B 241 18.823 37.929 80.022 1.00 24.36 C +ATOM 4271 CZ TYR B 241 18.939 39.264 79.889 1.00 21.32 C +ATOM 4272 OH TYR B 241 18.121 40.187 80.441 1.00 22.11 O +ATOM 4273 N THR B 242 22.808 36.667 81.044 1.00 23.45 N +ATOM 4274 CA THR B 242 22.391 36.331 82.389 1.00 25.10 C +ATOM 4275 C THR B 242 21.712 37.523 83.000 1.00 22.88 C +ATOM 4276 O THR B 242 22.212 38.625 82.972 1.00 26.11 O +ATOM 4277 CB THR B 242 23.582 35.845 83.267 1.00 23.82 C +ATOM 4278 OG1 THR B 242 24.165 34.756 82.606 1.00 27.82 O +ATOM 4279 CG2 THR B 242 23.081 35.316 84.573 1.00 29.23 C +ATOM 4280 N GLY B 243 20.562 37.259 83.637 1.00 22.54 N +ATOM 4281 CA GLY B 243 19.891 38.312 84.336 1.00 21.87 C +ATOM 4282 C GLY B 243 19.357 37.880 85.657 1.00 20.11 C +ATOM 4283 O GLY B 243 18.926 36.766 85.807 1.00 22.24 O +ATOM 4284 N TYR B 244 19.336 38.831 86.551 1.00 19.67 N +ATOM 4285 CA TYR B 244 18.553 38.670 87.737 1.00 24.24 C +ATOM 4286 C TYR B 244 17.799 39.849 88.216 1.00 18.02 C +ATOM 4287 O TYR B 244 18.152 40.985 88.058 1.00 20.98 O +ATOM 4288 CB TYR B 244 19.313 38.016 88.794 1.00 28.32 C +ATOM 4289 CG TYR B 244 20.445 38.761 89.218 1.00 34.27 C +ATOM 4290 CD1 TYR B 244 21.659 38.623 88.540 1.00 39.83 C +ATOM 4291 CD2 TYR B 244 20.359 39.597 90.342 1.00 41.23 C +ATOM 4292 CE1 TYR B 244 22.767 39.343 88.970 1.00 46.63 C +ATOM 4293 CE2 TYR B 244 21.472 40.296 90.782 1.00 43.87 C +ATOM 4294 CZ TYR B 244 22.673 40.163 90.093 1.00 42.69 C +ATOM 4295 OH TYR B 244 23.831 40.840 90.458 1.00 52.19 O +ATOM 4296 N GLU B 245 16.735 39.523 88.894 1.00 20.01 N +ATOM 4297 CA GLU B 245 15.814 40.509 89.375 1.00 19.18 C +ATOM 4298 C GLU B 245 15.279 40.122 90.735 1.00 17.78 C +ATOM 4299 O GLU B 245 14.968 38.965 90.979 1.00 20.07 O +ATOM 4300 CB GLU B 245 14.578 40.740 88.393 1.00 19.78 C +ATOM 4301 CG GLU B 245 14.990 41.044 86.980 1.00 22.55 C +ATOM 4302 CD GLU B 245 13.776 41.502 86.083 1.00 21.48 C +ATOM 4303 OE1 GLU B 245 12.607 41.362 86.515 1.00 19.75 O +ATOM 4304 OE2 GLU B 245 14.042 42.146 85.043 1.00 23.02 O +ATOM 4305 N LEU B 246 15.216 41.163 91.567 1.00 20.22 N +ATOM 4306 CA LEU B 246 14.556 41.151 92.860 1.00 20.12 C +ATOM 4307 C LEU B 246 13.441 42.175 92.853 1.00 18.76 C +ATOM 4308 O LEU B 246 13.615 43.278 92.388 1.00 22.62 O +ATOM 4309 CB LEU B 246 15.604 41.564 93.908 1.00 23.26 C +ATOM 4310 CG LEU B 246 16.778 40.639 93.956 1.00 27.61 C +ATOM 4311 CD1 LEU B 246 17.723 41.197 95.016 1.00 28.39 C +ATOM 4312 CD2 LEU B 246 16.452 39.222 94.389 1.00 28.23 C +ATOM 4313 N ALA B 247 12.361 41.859 93.523 1.00 20.87 N +ATOM 4314 CA ALA B 247 11.223 42.769 93.673 1.00 20.77 C +ATOM 4315 C ALA B 247 10.582 42.730 95.039 1.00 20.10 C +ATOM 4316 O ALA B 247 10.481 41.670 95.588 1.00 23.55 O +ATOM 4317 CB ALA B 247 10.145 42.381 92.633 1.00 21.04 C +ATOM 4318 N ALA B 248 10.090 43.861 95.460 1.00 19.62 N +ATOM 4319 CA ALA B 248 9.297 44.001 96.690 1.00 21.10 C +ATOM 4320 C ALA B 248 8.151 44.951 96.477 1.00 21.16 C +ATOM 4321 O ALA B 248 8.276 45.970 95.791 1.00 22.90 O +ATOM 4322 CB ALA B 248 10.178 44.526 97.821 1.00 23.24 C +ATOM 4323 N GLY B 249 7.026 44.626 97.101 1.00 23.11 N +ATOM 4324 CA GLY B 249 5.853 45.448 96.992 1.00 23.85 C +ATOM 4325 C GLY B 249 5.183 45.616 98.331 1.00 25.11 C +ATOM 4326 O GLY B 249 5.215 44.684 99.097 1.00 26.96 O +ATOM 4327 N TYR B 250 4.511 46.738 98.521 1.00 23.75 N +ATOM 4328 CA TYR B 250 3.702 46.970 99.738 1.00 25.36 C +ATOM 4329 C TYR B 250 2.427 47.704 99.337 1.00 23.80 C +ATOM 4330 O TYR B 250 2.515 48.641 98.547 1.00 25.96 O +ATOM 4331 CB TYR B 250 4.561 47.787 100.693 1.00 30.69 C +ATOM 4332 CG TYR B 250 3.812 48.366 101.877 1.00 33.09 C +ATOM 4333 CD1 TYR B 250 3.029 47.556 102.682 1.00 37.12 C +ATOM 4334 CD2 TYR B 250 3.879 49.749 102.148 1.00 39.53 C +ATOM 4335 CE1 TYR B 250 2.337 48.094 103.784 1.00 40.72 C +ATOM 4336 CE2 TYR B 250 3.201 50.286 103.228 1.00 44.64 C +ATOM 4337 CZ TYR B 250 2.423 49.445 104.025 1.00 46.79 C +ATOM 4338 OH TYR B 250 1.737 49.986 105.086 1.00 57.86 O +ATOM 4339 N LYS B 251 1.294 47.273 99.824 1.00 25.46 N +ATOM 4340 CA LYS B 251 0.011 47.896 99.540 1.00 28.24 C +ATOM 4341 C LYS B 251 -0.537 48.519 100.865 1.00 30.48 C +ATOM 4342 O LYS B 251 -0.616 47.829 101.893 1.00 29.61 O +ATOM 4343 CB LYS B 251 -0.944 46.859 99.047 1.00 30.85 C +ATOM 4344 CG LYS B 251 -2.330 47.428 98.743 1.00 37.82 C +ATOM 4345 CD LYS B 251 -3.335 46.391 98.315 1.00 45.74 C +ATOM 4346 CE LYS B 251 -3.126 45.942 96.891 1.00 47.71 C +ATOM 4347 NZ LYS B 251 -4.460 45.641 96.285 1.00 51.08 N +ATOM 4348 N LEU B 252 -0.930 49.770 100.786 1.00 30.56 N +ATOM 4349 CA LEU B 252 -1.498 50.518 101.908 1.00 31.25 C +ATOM 4350 C LEU B 252 -2.708 51.236 101.349 1.00 27.56 C +ATOM 4351 O LEU B 252 -2.558 52.265 100.666 1.00 29.94 O +ATOM 4352 CB LEU B 252 -0.434 51.499 102.393 1.00 35.52 C +ATOM 4353 CG LEU B 252 -0.800 52.505 103.506 1.00 41.35 C +ATOM 4354 CD1 LEU B 252 -1.108 51.789 104.809 1.00 44.47 C +ATOM 4355 CD2 LEU B 252 0.381 53.428 103.712 1.00 46.61 C +ATOM 4356 N GLY B 253 -3.884 50.709 101.627 1.00 26.67 N +ATOM 4357 CA GLY B 253 -5.155 51.285 101.185 1.00 29.65 C +ATOM 4358 C GLY B 253 -5.233 51.111 99.645 1.00 31.77 C +ATOM 4359 O GLY B 253 -5.091 50.000 99.097 1.00 33.09 O +ATOM 4360 N GLN B 254 -5.326 52.269 99.000 1.00 30.72 N +ATOM 4361 CA GLN B 254 -5.466 52.352 97.572 1.00 30.20 C +ATOM 4362 C GLN B 254 -4.078 52.576 96.938 1.00 27.74 C +ATOM 4363 O GLN B 254 -3.994 52.767 95.698 1.00 24.53 O +ATOM 4364 CB GLN B 254 -6.433 53.484 97.223 1.00 28.16 C +ATOM 4365 CG GLN B 254 -7.883 53.054 97.478 1.00 33.23 C +ATOM 4366 CD GLN B 254 -8.930 53.865 96.717 1.00 40.03 C +ATOM 4367 OE1 GLN B 254 -8.866 55.078 96.633 1.00 44.69 O +ATOM 4368 NE2 GLN B 254 -9.889 53.160 96.108 1.00 53.59 N +ATOM 4369 N ALA B 255 -3.005 52.614 97.714 1.00 24.24 N +ATOM 4370 CA ALA B 255 -1.654 52.907 97.233 1.00 23.88 C +ATOM 4371 C ALA B 255 -0.804 51.673 97.183 1.00 26.32 C +ATOM 4372 O ALA B 255 -0.875 50.864 98.065 1.00 27.49 O +ATOM 4373 CB ALA B 255 -0.984 54.006 98.066 1.00 28.03 C +ATOM 4374 N ALA B 256 0.015 51.510 96.133 1.00 22.84 N +ATOM 4375 CA ALA B 256 0.932 50.398 96.019 1.00 21.94 C +ATOM 4376 C ALA B 256 2.314 50.955 95.781 1.00 20.88 C +ATOM 4377 O ALA B 256 2.538 51.859 94.926 1.00 23.09 O +ATOM 4378 CB ALA B 256 0.568 49.522 94.829 1.00 21.21 C +ATOM 4379 N PHE B 257 3.299 50.451 96.515 1.00 22.30 N +ATOM 4380 CA PHE B 257 4.680 50.911 96.443 1.00 21.59 C +ATOM 4381 C PHE B 257 5.569 49.763 96.061 1.00 20.41 C +ATOM 4382 O PHE B 257 5.382 48.624 96.572 1.00 23.02 O +ATOM 4383 CB PHE B 257 5.183 51.480 97.812 1.00 23.72 C +ATOM 4384 CG PHE B 257 4.330 52.586 98.311 1.00 23.86 C +ATOM 4385 CD1 PHE B 257 4.538 53.871 97.887 1.00 26.62 C +ATOM 4386 CD2 PHE B 257 3.330 52.323 99.239 1.00 28.05 C +ATOM 4387 CE1 PHE B 257 3.736 54.899 98.341 1.00 30.29 C +ATOM 4388 CE2 PHE B 257 2.531 53.342 99.696 1.00 29.55 C +ATOM 4389 CZ PHE B 257 2.735 54.632 99.244 1.00 29.65 C +ATOM 4390 N THR B 258 6.428 49.931 95.036 1.00 20.57 N +ATOM 4391 CA THR B 258 7.256 48.792 94.630 1.00 20.22 C +ATOM 4392 C THR B 258 8.669 49.252 94.462 1.00 18.92 C +ATOM 4393 O THR B 258 8.932 50.452 94.255 1.00 21.25 O +ATOM 4394 CB THR B 258 6.796 48.014 93.351 1.00 22.00 C +ATOM 4395 OG1 THR B 258 7.130 48.841 92.227 1.00 22.46 O +ATOM 4396 CG2 THR B 258 5.405 47.733 93.393 1.00 20.93 C +ATOM 4397 N ALA B 259 9.601 48.327 94.628 1.00 22.35 N +ATOM 4398 CA ALA B 259 11.002 48.486 94.324 1.00 20.68 C +ATOM 4399 C ALA B 259 11.591 47.276 93.678 1.00 20.79 C +ATOM 4400 O ALA B 259 11.215 46.161 93.949 1.00 21.62 O +ATOM 4401 CB ALA B 259 11.818 48.778 95.623 1.00 22.81 C +ATOM 4402 N THR B 260 12.490 47.487 92.714 1.00 20.60 N +ATOM 4403 CA THR B 260 13.119 46.385 92.002 1.00 22.24 C +ATOM 4404 C THR B 260 14.582 46.663 91.813 1.00 19.90 C +ATOM 4405 O THR B 260 15.030 47.807 91.792 1.00 22.52 O +ATOM 4406 CB THR B 260 12.520 46.023 90.566 1.00 21.69 C +ATOM 4407 OG1 THR B 260 12.616 47.186 89.781 1.00 22.01 O +ATOM 4408 CG2 THR B 260 11.152 45.671 90.647 1.00 22.06 C +ATOM 4409 N TYR B 261 15.354 45.624 91.892 1.00 19.80 N +ATOM 4410 CA TYR B 261 16.742 45.639 91.399 1.00 21.64 C +ATOM 4411 C TYR B 261 16.835 44.694 90.239 1.00 20.89 C +ATOM 4412 O TYR B 261 16.364 43.545 90.267 1.00 20.66 O +ATOM 4413 CB TYR B 261 17.747 45.151 92.496 1.00 23.20 C +ATOM 4414 CG TYR B 261 19.148 45.257 91.987 1.00 22.74 C +ATOM 4415 CD1 TYR B 261 19.671 46.483 91.604 1.00 25.73 C +ATOM 4416 CD2 TYR B 261 19.947 44.131 91.831 1.00 24.98 C +ATOM 4417 CE1 TYR B 261 20.944 46.591 91.051 1.00 24.96 C +ATOM 4418 CE2 TYR B 261 21.238 44.254 91.330 1.00 23.98 C +ATOM 4419 CZ TYR B 261 21.726 45.451 90.961 1.00 25.85 C +ATOM 4420 OH TYR B 261 22.987 45.500 90.430 1.00 26.37 O +ATOM 4421 N ASN B 262 17.462 45.177 89.165 1.00 21.01 N +ATOM 4422 CA ASN B 262 17.609 44.377 87.964 1.00 22.26 C +ATOM 4423 C ASN B 262 19.030 44.509 87.482 1.00 19.87 C +ATOM 4424 O ASN B 262 19.524 45.587 87.388 1.00 23.07 O +ATOM 4425 CB ASN B 262 16.730 44.935 86.789 1.00 19.74 C +ATOM 4426 CG ASN B 262 15.210 44.824 86.976 1.00 23.38 C +ATOM 4427 OD1 ASN B 262 14.509 45.442 86.134 1.00 21.93 O +ATOM 4428 ND2 ASN B 262 14.670 44.193 88.042 1.00 21.43 N +ATOM 4429 N ASN B 263 19.644 43.382 87.184 1.00 20.03 N +ATOM 4430 CA ASN B 263 20.995 43.336 86.673 1.00 20.92 C +ATOM 4431 C ASN B 263 21.164 42.271 85.622 1.00 18.48 C +ATOM 4432 O ASN B 263 20.884 41.088 85.807 1.00 20.25 O +ATOM 4433 CB ASN B 263 21.905 43.020 87.880 1.00 23.36 C +ATOM 4434 CG ASN B 263 23.391 43.068 87.512 1.00 23.99 C +ATOM 4435 OD1 ASN B 263 23.841 42.402 86.596 1.00 24.54 O +ATOM 4436 ND2 ASN B 263 24.138 43.909 88.219 1.00 27.35 N +ATOM 4437 N ALA B 264 21.633 42.705 84.446 1.00 22.35 N +ATOM 4438 CA ALA B 264 21.839 41.824 83.341 1.00 24.06 C +ATOM 4439 C ALA B 264 23.186 42.014 82.768 1.00 21.10 C +ATOM 4440 O ALA B 264 23.707 43.097 82.778 1.00 23.32 O +ATOM 4441 CB ALA B 264 20.808 42.113 82.194 1.00 23.58 C +ATOM 4442 N GLU B 265 23.668 40.933 82.199 1.00 26.15 N +ATOM 4443 CA GLU B 265 24.985 40.873 81.600 1.00 28.00 C +ATOM 4444 C GLU B 265 24.828 40.225 80.244 1.00 27.90 C +ATOM 4445 O GLU B 265 24.250 39.128 80.167 1.00 27.24 O +ATOM 4446 CB GLU B 265 25.839 40.006 82.526 1.00 35.13 C +ATOM 4447 CG GLU B 265 27.280 39.868 82.219 1.00 45.45 C +ATOM 4448 CD GLU B 265 27.943 39.140 83.377 1.00 44.41 C +ATOM 4449 OE1 GLU B 265 28.035 37.886 83.333 1.00 50.84 O +ATOM 4450 OE2 GLU B 265 28.176 39.815 84.396 1.00 53.65 O +ATOM 4451 N THR B 266 25.338 40.897 79.187 1.00 27.37 N +ATOM 4452 CA THR B 266 25.237 40.390 77.813 1.00 30.09 C +ATOM 4453 C THR B 266 26.643 40.204 77.344 1.00 31.56 C +ATOM 4454 O THR B 266 27.433 41.118 77.495 1.00 36.52 O +ATOM 4455 CB THR B 266 24.492 41.384 76.887 1.00 30.38 C +ATOM 4456 OG1 THR B 266 23.193 41.565 77.443 1.00 29.91 O +ATOM 4457 CG2 THR B 266 24.373 40.796 75.444 1.00 32.19 C +ATOM 4458 N ALA B 267 26.980 39.012 76.877 1.00 33.13 N +ATOM 4459 CA ALA B 267 28.402 38.724 76.471 1.00 40.62 C +ATOM 4460 C ALA B 267 29.405 39.092 77.564 1.00 43.40 C +ATOM 4461 O ALA B 267 30.433 39.717 77.277 1.00 38.80 O +ATOM 4462 CB ALA B 267 28.774 39.435 75.163 1.00 40.37 C +ATOM 4463 N LYS B 268 29.068 38.738 78.813 1.00 39.47 N +ATOM 4464 CA LYS B 268 29.866 38.996 80.004 1.00 42.01 C +ATOM 4465 C LYS B 268 30.190 40.461 80.316 1.00 41.96 C +ATOM 4466 O LYS B 268 31.133 40.754 81.077 1.00 42.29 O +ATOM 4467 CB LYS B 268 31.188 38.181 79.973 1.00 49.99 C +ATOM 4468 CG LYS B 268 31.064 36.736 79.493 1.00 50.47 C +ATOM 4469 CD LYS B 268 30.301 35.860 80.466 1.00 50.81 C +ATOM 4470 CE LYS B 268 30.196 34.440 79.932 1.00 56.05 C +ATOM 4471 NZ LYS B 268 28.971 33.733 80.410 1.00 58.73 N +ATOM 4472 N LYS B 269 29.408 41.383 79.777 1.00 34.04 N +ATOM 4473 CA LYS B 269 29.524 42.799 80.091 1.00 38.06 C +ATOM 4474 C LYS B 269 28.162 43.238 80.648 1.00 35.45 C +ATOM 4475 O LYS B 269 27.131 42.859 80.049 1.00 30.87 O +ATOM 4476 CB LYS B 269 29.858 43.553 78.823 1.00 42.67 C +ATOM 4477 CG LYS B 269 30.323 44.970 79.041 1.00 57.34 C +ATOM 4478 CD LYS B 269 30.584 45.680 77.713 1.00 61.46 C +ATOM 4479 CE LYS B 269 30.880 47.160 77.936 1.00 67.53 C +ATOM 4480 NZ LYS B 269 30.360 47.970 76.803 1.00 74.90 N +ATOM 4481 N THR B 270 28.162 43.961 81.771 1.00 30.39 N +ATOM 4482 CA THR B 270 26.925 44.468 82.387 1.00 30.81 C +ATOM 4483 C THR B 270 26.175 45.356 81.384 1.00 30.28 C +ATOM 4484 O THR B 270 26.725 46.246 80.832 1.00 31.91 O +ATOM 4485 CB THR B 270 27.192 45.248 83.675 1.00 28.05 C +ATOM 4486 OG1 THR B 270 27.850 44.349 84.563 1.00 28.50 O +ATOM 4487 CG2 THR B 270 25.856 45.651 84.310 1.00 29.72 C +ATOM 4488 N SER B 271 24.928 45.026 81.082 1.00 28.58 N +ATOM 4489 CA SER B 271 24.131 45.783 80.106 1.00 26.91 C +ATOM 4490 C SER B 271 22.915 46.434 80.732 1.00 26.00 C +ATOM 4491 O SER B 271 22.304 47.324 80.102 1.00 27.61 O +ATOM 4492 CB SER B 271 23.719 44.820 78.969 1.00 25.38 C +ATOM 4493 OG SER B 271 23.131 43.618 79.447 1.00 23.87 O +ATOM 4494 N ALA B 272 22.516 46.021 81.943 1.00 23.29 N +ATOM 4495 CA ALA B 272 21.472 46.706 82.701 1.00 23.18 C +ATOM 4496 C ALA B 272 21.819 46.542 84.207 1.00 22.15 C +ATOM 4497 O ALA B 272 22.184 45.465 84.628 1.00 21.91 O +ATOM 4498 CB ALA B 272 20.122 46.085 82.422 1.00 24.43 C +ATOM 4499 N ASP B 273 21.776 47.653 84.913 1.00 22.20 N +ATOM 4500 CA ASP B 273 21.988 47.712 86.337 1.00 23.84 C +ATOM 4501 C ASP B 273 21.138 48.828 86.895 1.00 22.14 C +ATOM 4502 O ASP B 273 21.496 50.004 86.980 1.00 25.22 O +ATOM 4503 CB ASP B 273 23.508 47.836 86.518 1.00 24.27 C +ATOM 4504 CG ASP B 273 23.961 47.651 87.984 1.00 28.08 C +ATOM 4505 OD1 ASP B 273 23.100 47.452 88.860 1.00 26.98 O +ATOM 4506 OD2 ASP B 273 25.197 47.630 88.189 1.00 29.91 O +ATOM 4507 N ASN B 274 19.956 48.458 87.339 1.00 21.36 N +ATOM 4508 CA ASN B 274 18.964 49.400 87.714 1.00 21.34 C +ATOM 4509 C ASN B 274 18.321 49.143 89.065 1.00 21.71 C +ATOM 4510 O ASN B 274 17.860 48.053 89.315 1.00 21.58 O +ATOM 4511 CB ASN B 274 17.784 49.287 86.688 1.00 22.17 C +ATOM 4512 CG ASN B 274 18.212 49.696 85.294 1.00 21.90 C +ATOM 4513 OD1 ASN B 274 18.901 50.737 85.116 1.00 22.74 O +ATOM 4514 ND2 ASN B 274 17.862 48.823 84.258 1.00 22.66 N +ATOM 4515 N PHE B 275 18.209 50.193 89.893 1.00 20.44 N +ATOM 4516 CA PHE B 275 17.398 50.163 91.067 1.00 23.02 C +ATOM 4517 C PHE B 275 16.267 51.157 90.880 1.00 19.38 C +ATOM 4518 O PHE B 275 16.548 52.313 90.682 1.00 22.17 O +ATOM 4519 CB PHE B 275 18.266 50.520 92.341 1.00 21.63 C +ATOM 4520 CG PHE B 275 17.428 50.628 93.590 1.00 23.94 C +ATOM 4521 CD1 PHE B 275 16.802 49.530 94.076 1.00 23.85 C +ATOM 4522 CD2 PHE B 275 17.203 51.840 94.207 1.00 28.67 C +ATOM 4523 CE1 PHE B 275 15.972 49.593 95.197 1.00 27.07 C +ATOM 4524 CE2 PHE B 275 16.351 51.915 95.335 1.00 30.23 C +ATOM 4525 CZ PHE B 275 15.734 50.765 95.800 1.00 26.34 C +ATOM 4526 N ALA B 276 15.006 50.710 90.886 1.00 20.13 N +ATOM 4527 CA ALA B 276 13.838 51.577 90.718 1.00 18.74 C +ATOM 4528 C ALA B 276 12.874 51.462 91.860 1.00 22.07 C +ATOM 4529 O ALA B 276 12.723 50.363 92.442 1.00 22.38 O +ATOM 4530 CB ALA B 276 13.146 51.158 89.406 1.00 20.60 C +ATOM 4531 N ILE B 277 12.202 52.565 92.122 1.00 18.99 N +ATOM 4532 CA ILE B 277 11.186 52.659 93.109 1.00 21.97 C +ATOM 4533 C ILE B 277 9.974 53.365 92.538 1.00 20.79 C +ATOM 4534 O ILE B 277 10.121 54.336 91.804 1.00 22.96 O +ATOM 4535 CB ILE B 277 11.690 53.463 94.378 1.00 23.22 C +ATOM 4536 CG1 ILE B 277 12.320 54.803 94.016 1.00 25.05 C +ATOM 4537 CG2 ILE B 277 12.671 52.547 95.053 1.00 26.90 C +ATOM 4538 CD1 ILE B 277 12.623 55.709 95.225 1.00 30.07 C +ATOM 4539 N ASP B 278 8.801 52.999 92.958 1.00 19.22 N +ATOM 4540 CA ASP B 278 7.619 53.794 92.565 1.00 20.03 C +ATOM 4541 C ASP B 278 6.476 53.802 93.529 1.00 22.44 C +ATOM 4542 O ASP B 278 6.464 53.026 94.553 1.00 22.06 O +ATOM 4543 CB ASP B 278 7.193 53.282 91.129 1.00 21.44 C +ATOM 4544 CG ASP B 278 6.470 51.945 91.172 1.00 22.65 C +ATOM 4545 OD1 ASP B 278 6.200 51.297 92.256 1.00 20.73 O +ATOM 4546 OD2 ASP B 278 6.021 51.468 90.043 1.00 21.63 O +ATOM 4547 N ALA B 279 5.498 54.630 93.216 1.00 22.86 N +ATOM 4548 CA ALA B 279 4.253 54.718 93.953 1.00 22.50 C +ATOM 4549 C ALA B 279 3.138 54.890 92.971 1.00 21.21 C +ATOM 4550 O ALA B 279 3.227 55.742 92.093 1.00 22.02 O +ATOM 4551 CB ALA B 279 4.296 55.916 94.869 1.00 23.92 C +ATOM 4552 N THR B 280 2.115 54.060 93.127 1.00 20.13 N +ATOM 4553 CA THR B 280 0.904 54.083 92.311 1.00 20.11 C +ATOM 4554 C THR B 280 -0.301 54.234 93.194 1.00 20.63 C +ATOM 4555 O THR B 280 -0.459 53.444 94.110 1.00 23.66 O +ATOM 4556 CB THR B 280 0.848 52.759 91.508 1.00 22.40 C +ATOM 4557 OG1 THR B 280 2.125 52.594 90.895 1.00 19.26 O +ATOM 4558 CG2 THR B 280 -0.297 52.668 90.480 1.00 21.13 C +ATOM 4559 N TYR B 281 -1.193 55.150 92.865 1.00 21.19 N +ATOM 4560 CA TYR B 281 -2.444 55.400 93.639 1.00 22.18 C +ATOM 4561 C TYR B 281 -3.641 55.025 92.757 1.00 21.46 C +ATOM 4562 O TYR B 281 -3.814 55.616 91.674 1.00 21.55 O +ATOM 4563 CB TYR B 281 -2.561 56.805 94.103 1.00 23.36 C +ATOM 4564 CG TYR B 281 -3.646 56.945 95.144 1.00 26.27 C +ATOM 4565 CD1 TYR B 281 -3.353 56.664 96.501 1.00 31.93 C +ATOM 4566 CD2 TYR B 281 -4.948 57.365 94.796 1.00 24.36 C +ATOM 4567 CE1 TYR B 281 -4.364 56.766 97.468 1.00 31.14 C +ATOM 4568 CE2 TYR B 281 -5.967 57.441 95.757 1.00 27.29 C +ATOM 4569 CZ TYR B 281 -5.637 57.175 97.082 1.00 30.44 C +ATOM 4570 OH TYR B 281 -6.625 57.235 98.023 1.00 33.49 O +ATOM 4571 N TYR B 282 -4.416 54.052 93.206 1.00 20.01 N +ATOM 4572 CA TYR B 282 -5.644 53.623 92.542 1.00 20.92 C +ATOM 4573 C TYR B 282 -6.838 54.441 93.043 1.00 25.26 C +ATOM 4574 O TYR B 282 -7.460 54.067 94.022 1.00 25.74 O +ATOM 4575 CB TYR B 282 -5.884 52.141 92.699 1.00 21.51 C +ATOM 4576 CG TYR B 282 -4.776 51.298 92.031 1.00 21.09 C +ATOM 4577 CD1 TYR B 282 -3.544 51.155 92.625 1.00 19.94 C +ATOM 4578 CD2 TYR B 282 -5.000 50.687 90.809 1.00 24.07 C +ATOM 4579 CE1 TYR B 282 -2.530 50.415 92.063 1.00 21.20 C +ATOM 4580 CE2 TYR B 282 -3.996 49.948 90.217 1.00 23.07 C +ATOM 4581 CZ TYR B 282 -2.785 49.793 90.809 1.00 21.53 C +ATOM 4582 OH TYR B 282 -1.809 49.015 90.164 1.00 21.99 O +ATOM 4583 N PHE B 283 -7.135 55.538 92.374 1.00 23.23 N +ATOM 4584 CA PHE B 283 -8.372 56.283 92.715 1.00 23.26 C +ATOM 4585 C PHE B 283 -9.605 55.431 92.573 1.00 23.82 C +ATOM 4586 O PHE B 283 -10.516 55.491 93.387 1.00 26.82 O +ATOM 4587 CB PHE B 283 -8.568 57.514 91.853 1.00 22.02 C +ATOM 4588 CG PHE B 283 -7.479 58.483 91.946 1.00 22.88 C +ATOM 4589 CD1 PHE B 283 -7.478 59.442 92.959 1.00 26.84 C +ATOM 4590 CD2 PHE B 283 -6.391 58.437 91.086 1.00 24.98 C +ATOM 4591 CE1 PHE B 283 -6.439 60.367 93.004 1.00 29.71 C +ATOM 4592 CE2 PHE B 283 -5.330 59.318 91.162 1.00 25.14 C +ATOM 4593 CZ PHE B 283 -5.368 60.315 92.130 1.00 31.08 C +ATOM 4594 N LYS B 284 -9.654 54.596 91.520 1.00 23.73 N +ATOM 4595 CA LYS B 284 -10.690 53.686 91.260 1.00 23.52 C +ATOM 4596 C LYS B 284 -9.954 52.452 90.615 1.00 24.59 C +ATOM 4597 O LYS B 284 -8.830 52.588 90.260 1.00 22.23 O +ATOM 4598 CB LYS B 284 -11.705 54.297 90.339 1.00 25.51 C +ATOM 4599 CG LYS B 284 -12.649 55.347 91.007 1.00 29.28 C +ATOM 4600 CD LYS B 284 -13.609 54.623 91.935 1.00 33.63 C +ATOM 4601 CE LYS B 284 -13.955 55.488 93.180 1.00 39.15 C +ATOM 4602 NZ LYS B 284 -15.085 54.955 93.983 1.00 40.17 N +ATOM 4603 N PRO B 285 -10.615 51.314 90.538 1.00 26.39 N +ATOM 4604 CA PRO B 285 -9.890 50.166 89.941 1.00 27.86 C +ATOM 4605 C PRO B 285 -9.365 50.503 88.526 1.00 26.96 C +ATOM 4606 O PRO B 285 -8.236 50.008 88.167 1.00 29.85 O +ATOM 4607 CB PRO B 285 -10.941 49.056 89.928 1.00 27.85 C +ATOM 4608 CG PRO B 285 -11.967 49.446 90.946 1.00 29.63 C +ATOM 4609 CD PRO B 285 -11.934 50.949 91.071 1.00 28.13 C +ATOM 4610 N ASN B 286 -10.092 51.379 87.809 1.00 23.46 N +ATOM 4611 CA ASN B 286 -9.690 51.770 86.420 1.00 26.93 C +ATOM 4612 C ASN B 286 -9.114 53.179 86.218 1.00 23.31 C +ATOM 4613 O ASN B 286 -9.032 53.668 85.110 1.00 21.90 O +ATOM 4614 CB ASN B 286 -10.842 51.613 85.501 1.00 28.58 C +ATOM 4615 CG ASN B 286 -11.902 52.549 85.820 1.00 35.42 C +ATOM 4616 OD1 ASN B 286 -12.092 52.880 87.005 1.00 37.14 O +ATOM 4617 ND2 ASN B 286 -12.637 52.979 84.808 1.00 40.11 N +ATOM 4618 N PHE B 287 -8.675 53.821 87.293 1.00 18.01 N +ATOM 4619 CA PHE B 287 -8.014 55.123 87.137 1.00 19.81 C +ATOM 4620 C PHE B 287 -6.955 55.210 88.197 1.00 22.81 C +ATOM 4621 O PHE B 287 -7.292 55.122 89.392 1.00 21.57 O +ATOM 4622 CB PHE B 287 -9.000 56.286 87.207 1.00 17.94 C +ATOM 4623 CG PHE B 287 -8.382 57.539 86.878 1.00 20.15 C +ATOM 4624 CD1 PHE B 287 -7.998 57.843 85.543 1.00 18.62 C +ATOM 4625 CD2 PHE B 287 -8.026 58.448 87.874 1.00 20.09 C +ATOM 4626 CE1 PHE B 287 -7.326 59.008 85.251 1.00 23.05 C +ATOM 4627 CE2 PHE B 287 -7.378 59.684 87.536 1.00 23.52 C +ATOM 4628 CZ PHE B 287 -7.022 59.955 86.214 1.00 24.21 C +ATOM 4629 N ARG B 288 -5.718 55.416 87.813 1.00 18.80 N +ATOM 4630 CA ARG B 288 -4.579 55.392 88.707 1.00 18.58 C +ATOM 4631 C ARG B 288 -3.587 56.455 88.294 1.00 19.82 C +ATOM 4632 O ARG B 288 -3.533 56.873 87.088 1.00 19.56 O +ATOM 4633 CB ARG B 288 -3.881 54.038 88.797 1.00 20.40 C +ATOM 4634 CG ARG B 288 -3.037 53.759 87.578 1.00 20.53 C +ATOM 4635 CD ARG B 288 -2.587 52.298 87.538 1.00 21.58 C +ATOM 4636 NE ARG B 288 -3.602 51.408 86.979 1.00 22.01 N +ATOM 4637 CZ ARG B 288 -3.383 50.123 86.671 1.00 22.60 C +ATOM 4638 NH1 ARG B 288 -2.203 49.583 86.847 1.00 19.33 N +ATOM 4639 NH2 ARG B 288 -4.378 49.346 86.227 1.00 21.36 N +ATOM 4640 N SER B 289 -2.761 56.913 89.222 1.00 19.14 N +ATOM 4641 CA SER B 289 -1.659 57.746 88.920 1.00 20.00 C +ATOM 4642 C SER B 289 -0.413 57.094 89.467 1.00 21.61 C +ATOM 4643 O SER B 289 -0.502 56.259 90.341 1.00 23.08 O +ATOM 4644 CB SER B 289 -1.781 59.155 89.506 1.00 23.51 C +ATOM 4645 OG SER B 289 -1.778 59.064 90.908 1.00 24.12 O +ATOM 4646 N TYR B 290 0.723 57.441 88.901 1.00 18.98 N +ATOM 4647 CA TYR B 290 1.971 56.916 89.404 1.00 20.00 C +ATOM 4648 C TYR B 290 3.153 57.785 89.175 1.00 19.58 C +ATOM 4649 O TYR B 290 3.207 58.698 88.346 1.00 19.05 O +ATOM 4650 CB TYR B 290 2.254 55.488 88.923 1.00 20.99 C +ATOM 4651 CG TYR B 290 2.355 55.353 87.401 1.00 19.04 C +ATOM 4652 CD1 TYR B 290 3.537 55.615 86.765 1.00 18.69 C +ATOM 4653 CD2 TYR B 290 1.295 54.801 86.679 1.00 18.64 C +ATOM 4654 CE1 TYR B 290 3.652 55.442 85.350 1.00 18.81 C +ATOM 4655 CE2 TYR B 290 1.421 54.619 85.295 1.00 18.70 C +ATOM 4656 CZ TYR B 290 2.586 54.914 84.709 1.00 19.05 C +ATOM 4657 OH TYR B 290 2.634 54.732 83.307 1.00 20.87 O +ATOM 4658 N ILE B 291 4.199 57.554 89.997 1.00 21.94 N +ATOM 4659 CA ILE B 291 5.435 58.201 89.849 1.00 18.57 C +ATOM 4660 C ILE B 291 6.553 57.214 90.158 1.00 20.92 C +ATOM 4661 O ILE B 291 6.420 56.354 91.059 1.00 21.59 O +ATOM 4662 CB ILE B 291 5.521 59.515 90.706 1.00 20.92 C +ATOM 4663 CG1 ILE B 291 6.793 60.165 90.479 1.00 20.64 C +ATOM 4664 CG2 ILE B 291 5.320 59.178 92.176 1.00 24.16 C +ATOM 4665 CD1 ILE B 291 6.855 61.575 91.040 1.00 25.69 C +ATOM 4666 N SER B 292 7.614 57.260 89.367 1.00 18.34 N +ATOM 4667 CA SER B 292 8.622 56.197 89.365 1.00 19.37 C +ATOM 4668 C SER B 292 9.960 56.734 89.081 1.00 19.43 C +ATOM 4669 O SER B 292 10.104 57.659 88.319 1.00 21.25 O +ATOM 4670 CB SER B 292 8.291 55.082 88.325 1.00 17.63 C +ATOM 4671 OG SER B 292 9.237 54.015 88.370 1.00 20.29 O +ATOM 4672 N TYR B 293 10.998 56.232 89.766 1.00 20.02 N +ATOM 4673 CA TYR B 293 12.356 56.716 89.551 1.00 19.34 C +ATOM 4674 C TYR B 293 13.290 55.587 89.415 1.00 19.78 C +ATOM 4675 O TYR B 293 13.234 54.676 90.238 1.00 21.36 O +ATOM 4676 CB TYR B 293 12.829 57.681 90.667 1.00 22.74 C +ATOM 4677 CG TYR B 293 14.114 58.372 90.284 1.00 22.75 C +ATOM 4678 CD1 TYR B 293 15.359 57.803 90.524 1.00 26.19 C +ATOM 4679 CD2 TYR B 293 14.091 59.614 89.706 1.00 24.23 C +ATOM 4680 CE1 TYR B 293 16.530 58.459 90.149 1.00 26.94 C +ATOM 4681 CE2 TYR B 293 15.265 60.267 89.335 1.00 25.90 C +ATOM 4682 CZ TYR B 293 16.458 59.729 89.593 1.00 27.86 C +ATOM 4683 OH TYR B 293 17.577 60.397 89.179 1.00 30.58 O +ATOM 4684 N GLN B 294 14.096 55.590 88.339 1.00 20.40 N +ATOM 4685 CA GLN B 294 15.056 54.565 88.053 1.00 23.30 C +ATOM 4686 C GLN B 294 16.446 55.120 88.224 1.00 24.39 C +ATOM 4687 O GLN B 294 16.939 55.952 87.440 1.00 24.57 O +ATOM 4688 CB GLN B 294 14.942 53.955 86.630 1.00 23.67 C +ATOM 4689 CG GLN B 294 15.947 52.874 86.288 1.00 22.79 C +ATOM 4690 CD GLN B 294 15.699 52.198 84.899 1.00 25.14 C +ATOM 4691 OE1 GLN B 294 16.140 52.752 83.895 1.00 35.63 O +ATOM 4692 NE2 GLN B 294 15.107 51.045 84.864 1.00 22.56 N +ATOM 4693 N PHE B 295 17.117 54.628 89.256 1.00 24.15 N +ATOM 4694 CA PHE B 295 18.560 54.896 89.394 1.00 23.85 C +ATOM 4695 C PHE B 295 19.282 53.949 88.484 1.00 20.87 C +ATOM 4696 O PHE B 295 19.249 52.751 88.674 1.00 22.36 O +ATOM 4697 CB PHE B 295 19.015 54.642 90.867 1.00 24.57 C +ATOM 4698 CG PHE B 295 18.343 55.499 91.892 1.00 24.10 C +ATOM 4699 CD1 PHE B 295 17.207 55.100 92.518 1.00 24.46 C +ATOM 4700 CD2 PHE B 295 18.931 56.718 92.284 1.00 28.53 C +ATOM 4701 CE1 PHE B 295 16.583 55.896 93.496 1.00 30.49 C +ATOM 4702 CE2 PHE B 295 18.331 57.504 93.247 1.00 28.57 C +ATOM 4703 CZ PHE B 295 17.152 57.109 93.854 1.00 28.99 C +ATOM 4704 N ASN B 296 19.963 54.466 87.482 1.00 20.79 N +ATOM 4705 CA ASN B 296 20.721 53.711 86.536 1.00 25.61 C +ATOM 4706 C ASN B 296 22.171 53.628 86.982 1.00 27.41 C +ATOM 4707 O ASN B 296 22.873 54.613 86.923 1.00 26.76 O +ATOM 4708 CB ASN B 296 20.621 54.422 85.190 1.00 29.30 C +ATOM 4709 CG ASN B 296 21.253 53.648 84.045 1.00 28.36 C +ATOM 4710 OD1 ASN B 296 22.093 52.790 84.248 1.00 30.73 O +ATOM 4711 ND2 ASN B 296 20.764 53.867 82.814 1.00 29.60 N +ATOM 4712 N LEU B 297 22.587 52.438 87.405 1.00 25.55 N +ATOM 4713 CA LEU B 297 23.864 52.293 88.109 1.00 28.97 C +ATOM 4714 C LEU B 297 24.976 51.917 87.169 1.00 34.28 C +ATOM 4715 O LEU B 297 26.044 51.511 87.611 1.00 30.92 O +ATOM 4716 CB LEU B 297 23.706 51.264 89.231 1.00 27.81 C +ATOM 4717 CG LEU B 297 22.502 51.522 90.199 1.00 28.75 C +ATOM 4718 CD1 LEU B 297 22.351 50.385 91.197 1.00 32.03 C +ATOM 4719 CD2 LEU B 297 22.567 52.835 90.922 1.00 30.66 C +ATOM 4720 N LEU B 298 24.786 51.987 85.864 1.00 36.35 N +ATOM 4721 CA LEU B 298 25.825 51.502 84.988 1.00 38.03 C +ATOM 4722 C LEU B 298 27.198 52.237 85.053 1.00 51.16 C +ATOM 4723 O LEU B 298 28.271 51.576 85.094 1.00 50.76 O +ATOM 4724 CB LEU B 298 25.378 51.528 83.529 1.00 37.96 C +ATOM 4725 CG LEU B 298 24.455 50.417 83.111 1.00 36.03 C +ATOM 4726 CD1 LEU B 298 23.841 50.740 81.760 1.00 37.12 C +ATOM 4727 CD2 LEU B 298 25.197 49.094 83.046 1.00 35.30 C +ATOM 4728 N ASP B 299 27.185 53.562 84.998 1.00 52.20 N +ATOM 4729 CA ASP B 299 28.396 54.299 84.485 1.00 71.02 C +ATOM 4730 C ASP B 299 29.405 53.409 83.753 1.00 64.02 C +ATOM 4731 O ASP B 299 29.510 53.454 82.538 1.00 64.78 O +ATOM 4732 CB ASP B 299 29.186 55.057 85.558 1.00 75.72 C +ATOM 4733 CG ASP B 299 30.322 55.869 84.943 1.00 78.87 C +ATOM 4734 OD1 ASP B 299 30.037 56.928 84.348 1.00 81.09 O +ATOM 4735 OD2 ASP B 299 31.491 55.428 85.004 1.00 90.99 O +ATOM 4736 N ALA B 303 28.053 51.815 78.580 1.00 73.03 N +ATOM 4737 CA ALA B 303 28.688 52.690 79.555 1.00 62.06 C +ATOM 4738 C ALA B 303 28.610 54.193 79.174 1.00 54.81 C +ATOM 4739 O ALA B 303 29.178 55.041 79.868 1.00 47.58 O +ATOM 4740 CB ALA B 303 30.141 52.242 79.758 1.00 63.57 C +ATOM 4741 N SER B 304 27.885 54.547 78.111 1.00 47.40 N +ATOM 4742 CA SER B 304 27.848 55.959 77.623 1.00 46.82 C +ATOM 4743 C SER B 304 27.060 56.846 78.587 1.00 41.20 C +ATOM 4744 O SER B 304 26.198 56.333 79.341 1.00 42.58 O +ATOM 4745 CB SER B 304 27.230 56.020 76.199 1.00 46.97 C +ATOM 4746 OG SER B 304 25.802 55.978 76.232 1.00 42.04 O +ATOM 4747 N LYS B 305 27.307 58.157 78.576 1.00 39.78 N +ATOM 4748 CA LYS B 305 26.528 59.080 79.431 1.00 38.88 C +ATOM 4749 C LYS B 305 25.019 58.824 79.246 1.00 37.58 C +ATOM 4750 O LYS B 305 24.264 58.638 80.214 1.00 39.52 O +ATOM 4751 CB LYS B 305 26.881 60.516 79.094 1.00 41.85 C +ATOM 4752 CG LYS B 305 26.031 61.560 79.787 1.00 45.82 C +ATOM 4753 CD LYS B 305 26.580 62.944 79.518 1.00 50.86 C +ATOM 4754 CE LYS B 305 25.630 64.025 79.990 1.00 53.69 C +ATOM 4755 NZ LYS B 305 25.190 63.816 81.403 1.00 57.48 N +ATOM 4756 N VAL B 306 24.595 58.739 77.983 1.00 33.76 N +ATOM 4757 CA AVAL B 306 23.180 58.501 77.690 0.50 32.73 C +ATOM 4758 CA BVAL B 306 23.218 58.488 77.649 0.50 29.48 C +ATOM 4759 C VAL B 306 22.709 57.156 78.245 1.00 28.42 C +ATOM 4760 O VAL B 306 21.653 57.093 78.873 1.00 28.88 O +ATOM 4761 CB AVAL B 306 22.785 58.705 76.193 0.50 32.63 C +ATOM 4762 CB BVAL B 306 23.081 58.583 76.116 0.50 25.45 C +ATOM 4763 CG1AVAL B 306 23.066 60.148 75.787 0.50 33.65 C +ATOM 4764 CG1BVAL B 306 21.767 58.035 75.644 0.50 22.35 C +ATOM 4765 CG2AVAL B 306 23.474 57.732 75.254 0.50 34.75 C +ATOM 4766 CG2BVAL B 306 23.245 60.043 75.693 0.50 26.23 C +ATOM 4767 N ALA B 307 23.504 56.109 78.061 1.00 30.37 N +ATOM 4768 CA ALA B 307 23.158 54.761 78.476 1.00 33.61 C +ATOM 4769 C ALA B 307 23.093 54.628 80.016 1.00 31.82 C +ATOM 4770 O ALA B 307 22.476 53.715 80.526 1.00 29.34 O +ATOM 4771 CB ALA B 307 24.170 53.788 77.879 1.00 33.17 C +ATOM 4772 N SER B 308 23.714 55.562 80.721 1.00 30.06 N +ATOM 4773 CA SER B 308 23.737 55.519 82.179 1.00 32.93 C +ATOM 4774 C SER B 308 22.820 56.528 82.898 1.00 28.37 C +ATOM 4775 O SER B 308 22.825 56.643 84.120 1.00 28.15 O +ATOM 4776 CB SER B 308 25.214 55.611 82.613 1.00 36.68 C +ATOM 4777 OG SER B 308 25.724 56.878 82.349 1.00 42.52 O +ATOM 4778 N GLU B 309 21.951 57.245 82.177 1.00 26.53 N +ATOM 4779 CA GLU B 309 21.123 58.290 82.756 1.00 25.54 C +ATOM 4780 C GLU B 309 19.967 57.720 83.498 1.00 25.74 C +ATOM 4781 O GLU B 309 19.318 56.735 83.033 1.00 25.76 O +ATOM 4782 CB GLU B 309 20.541 59.163 81.631 1.00 31.19 C +ATOM 4783 CG GLU B 309 21.533 60.026 80.923 1.00 32.99 C +ATOM 4784 CD GLU B 309 21.917 61.300 81.666 1.00 40.09 C +ATOM 4785 OE1 GLU B 309 21.490 61.484 82.835 1.00 34.55 O +ATOM 4786 OE2 GLU B 309 22.614 62.118 81.010 1.00 43.41 O +ATOM 4787 N ASP B 310 19.613 58.359 84.617 1.00 22.88 N +ATOM 4788 CA ASP B 310 18.500 57.992 85.386 1.00 23.00 C +ATOM 4789 C ASP B 310 17.253 58.446 84.681 1.00 23.46 C +ATOM 4790 O ASP B 310 17.363 59.296 83.818 1.00 25.58 O +ATOM 4791 CB ASP B 310 18.535 58.690 86.744 1.00 23.66 C +ATOM 4792 CG ASP B 310 19.693 58.214 87.635 1.00 26.51 C +ATOM 4793 OD1 ASP B 310 20.432 57.319 87.252 1.00 25.49 O +ATOM 4794 OD2 ASP B 310 19.797 58.782 88.767 1.00 31.36 O +ATOM 4795 N GLU B 311 16.113 57.957 85.160 1.00 23.04 N +ATOM 4796 CA GLU B 311 14.814 58.387 84.590 1.00 20.90 C +ATOM 4797 C GLU B 311 13.762 58.563 85.643 1.00 19.98 C +ATOM 4798 O GLU B 311 13.545 57.675 86.436 1.00 22.10 O +ATOM 4799 CB GLU B 311 14.345 57.320 83.569 1.00 21.65 C +ATOM 4800 CG GLU B 311 13.058 57.744 82.827 1.00 22.42 C +ATOM 4801 CD GLU B 311 12.568 56.683 81.853 1.00 23.79 C +ATOM 4802 OE1 GLU B 311 12.800 55.455 82.014 1.00 20.23 O +ATOM 4803 OE2 GLU B 311 11.883 57.088 80.847 1.00 22.76 O +ATOM 4804 N LEU B 312 13.057 59.660 85.603 1.00 17.19 N +ATOM 4805 CA LEU B 312 11.834 59.838 86.349 1.00 19.27 C +ATOM 4806 C LEU B 312 10.624 59.647 85.413 1.00 20.33 C +ATOM 4807 O LEU B 312 10.670 60.254 84.351 1.00 23.26 O +ATOM 4808 CB LEU B 312 11.783 61.245 86.968 1.00 21.17 C +ATOM 4809 CG LEU B 312 10.529 61.816 87.622 1.00 24.49 C +ATOM 4810 CD1 LEU B 312 10.181 61.073 88.898 1.00 25.34 C +ATOM 4811 CD2 LEU B 312 10.692 63.279 87.913 1.00 25.35 C +ATOM 4812 N ALA B 313 9.616 58.913 85.821 1.00 20.41 N +ATOM 4813 CA ALA B 313 8.398 58.808 84.999 1.00 21.34 C +ATOM 4814 C ALA B 313 7.241 59.203 85.825 1.00 22.20 C +ATOM 4815 O ALA B 313 7.226 58.849 87.009 1.00 21.26 O +ATOM 4816 CB ALA B 313 8.266 57.366 84.475 1.00 20.63 C +ATOM 4817 N ILE B 314 6.255 59.899 85.237 1.00 19.00 N +ATOM 4818 CA ILE B 314 5.041 60.233 85.875 1.00 21.87 C +ATOM 4819 C ILE B 314 3.943 59.721 84.932 1.00 20.50 C +ATOM 4820 O ILE B 314 3.980 59.982 83.714 1.00 20.53 O +ATOM 4821 CB ILE B 314 4.948 61.757 86.107 1.00 22.47 C +ATOM 4822 CG1 ILE B 314 6.140 62.207 86.984 1.00 24.38 C +ATOM 4823 CG2 ILE B 314 3.638 62.173 86.717 1.00 21.88 C +ATOM 4824 CD1 ILE B 314 6.334 63.680 86.953 1.00 29.67 C +ATOM 4825 N GLY B 315 2.956 59.066 85.457 1.00 18.98 N +ATOM 4826 CA GLY B 315 1.859 58.521 84.690 1.00 18.94 C +ATOM 4827 C GLY B 315 0.504 58.777 85.192 1.00 19.08 C +ATOM 4828 O GLY B 315 0.270 58.899 86.420 1.00 18.32 O +ATOM 4829 N LEU B 316 -0.482 58.761 84.318 1.00 17.56 N +ATOM 4830 CA LEU B 316 -1.863 58.749 84.670 1.00 17.44 C +ATOM 4831 C LEU B 316 -2.476 57.775 83.723 1.00 18.26 C +ATOM 4832 O LEU B 316 -2.321 57.968 82.493 1.00 20.35 O +ATOM 4833 CB LEU B 316 -2.433 60.139 84.473 1.00 20.60 C +ATOM 4834 CG LEU B 316 -3.749 60.480 85.052 1.00 26.59 C +ATOM 4835 CD1 LEU B 316 -3.587 60.476 86.587 1.00 24.47 C +ATOM 4836 CD2 LEU B 316 -4.145 61.892 84.532 1.00 23.76 C +ATOM 4837 N ARG B 317 -3.163 56.778 84.226 1.00 17.86 N +ATOM 4838 CA ARG B 317 -3.720 55.613 83.455 1.00 16.73 C +ATOM 4839 C ARG B 317 -5.151 55.381 83.650 1.00 20.31 C +ATOM 4840 O ARG B 317 -5.574 55.096 84.775 1.00 17.53 O +ATOM 4841 CB ARG B 317 -2.890 54.347 83.705 1.00 18.66 C +ATOM 4842 CG ARG B 317 -3.428 53.116 82.990 1.00 18.74 C +ATOM 4843 CD ARG B 317 -2.483 51.957 83.234 1.00 19.23 C +ATOM 4844 NE ARG B 317 -3.211 50.742 82.912 1.00 17.45 N +ATOM 4845 CZ ARG B 317 -2.738 49.506 83.121 1.00 18.60 C +ATOM 4846 NH1 ARG B 317 -1.523 49.349 83.543 1.00 19.12 N +ATOM 4847 NH2 ARG B 317 -3.510 48.456 82.916 1.00 20.52 N +ATOM 4848 N TYR B 318 -5.943 55.462 82.574 1.00 17.18 N +ATOM 4849 CA TYR B 318 -7.296 55.163 82.546 1.00 16.64 C +ATOM 4850 C TYR B 318 -7.463 53.817 81.844 1.00 16.37 C +ATOM 4851 O TYR B 318 -6.958 53.685 80.719 1.00 19.49 O +ATOM 4852 CB TYR B 318 -8.128 56.284 81.810 1.00 17.20 C +ATOM 4853 CG TYR B 318 -9.589 56.045 81.929 1.00 20.38 C +ATOM 4854 CD1 TYR B 318 -10.295 55.062 81.187 1.00 17.75 C +ATOM 4855 CD2 TYR B 318 -10.329 56.712 82.936 1.00 19.87 C +ATOM 4856 CE1 TYR B 318 -11.584 54.766 81.406 1.00 20.33 C +ATOM 4857 CE2 TYR B 318 -11.650 56.473 83.075 1.00 19.73 C +ATOM 4858 CZ TYR B 318 -12.271 55.432 82.441 1.00 20.78 C +ATOM 4859 OH TYR B 318 -13.622 55.199 82.677 1.00 27.22 O +ATOM 4860 N ASP B 319 -8.085 52.897 82.494 1.00 16.59 N +ATOM 4861 CA ASP B 319 -8.443 51.560 81.864 1.00 17.06 C +ATOM 4862 C ASP B 319 -9.847 51.533 81.385 1.00 20.62 C +ATOM 4863 O ASP B 319 -10.801 51.773 82.100 1.00 21.16 O +ATOM 4864 CB ASP B 319 -8.225 50.387 82.815 1.00 19.07 C +ATOM 4865 CG ASP B 319 -6.722 50.278 83.194 1.00 22.02 C +ATOM 4866 OD1 ASP B 319 -5.900 49.899 82.309 1.00 21.26 O +ATOM 4867 OD2 ASP B 319 -6.374 50.437 84.414 1.00 26.38 O +ATOM 4868 N PHE B 320 -9.979 51.218 80.087 1.00 19.58 N +ATOM 4869 CA PHE B 320 -11.297 51.109 79.497 1.00 21.69 C +ATOM 4870 C PHE B 320 -12.033 49.859 79.946 1.00 23.65 C +ATOM 4871 O PHE B 320 -11.446 48.836 80.401 1.00 28.47 O +ATOM 4872 CB PHE B 320 -11.231 51.160 77.973 1.00 20.06 C +ATOM 4873 CG PHE B 320 -10.610 52.397 77.404 1.00 21.80 C +ATOM 4874 CD1 PHE B 320 -11.230 53.656 77.629 1.00 21.15 C +ATOM 4875 CD2 PHE B 320 -9.563 52.365 76.491 1.00 19.79 C +ATOM 4876 CE1 PHE B 320 -10.668 54.795 77.084 1.00 20.92 C +ATOM 4877 CE2 PHE B 320 -9.019 53.525 75.920 1.00 22.85 C +ATOM 4878 CZ PHE B 320 -9.621 54.755 76.211 1.00 24.05 C +ATOM 4879 OXT PHE B 320 -13.293 49.887 79.891 1.00 31.58 O +TER 4880 PHE B 320 +ATOM 4881 N ASP C 1 -21.542 35.964 55.216 1.00 29.21 N +ATOM 4882 CA ASP C 1 -22.530 35.350 56.164 1.00 28.88 C +ATOM 4883 C ASP C 1 -23.242 34.222 55.387 1.00 28.02 C +ATOM 4884 O ASP C 1 -23.350 34.196 54.056 1.00 26.93 O +ATOM 4885 CB ASP C 1 -23.526 36.429 56.682 1.00 32.36 C +ATOM 4886 CG ASP C 1 -24.159 36.073 58.088 1.00 35.73 C +ATOM 4887 OD1 ASP C 1 -24.152 34.923 58.505 1.00 42.51 O +ATOM 4888 OD2 ASP C 1 -24.648 36.957 58.813 1.00 49.48 O +ATOM 4889 N GLY C 2 -23.806 33.315 56.198 1.00 23.30 N +ATOM 4890 CA GLY C 2 -24.603 32.248 55.693 1.00 24.21 C +ATOM 4891 C GLY C 2 -23.768 31.335 54.783 1.00 18.47 C +ATOM 4892 O GLY C 2 -22.685 30.868 55.168 1.00 18.79 O +ATOM 4893 N ILE C 3 -24.232 31.159 53.573 1.00 18.02 N +ATOM 4894 CA ILE C 3 -23.549 30.294 52.677 1.00 18.57 C +ATOM 4895 C ILE C 3 -22.195 30.881 52.211 1.00 15.81 C +ATOM 4896 O ILE C 3 -21.304 30.120 51.830 1.00 15.77 O +ATOM 4897 CB ILE C 3 -24.294 29.968 51.383 1.00 23.24 C +ATOM 4898 CG1 ILE C 3 -24.592 31.183 50.555 1.00 25.13 C +ATOM 4899 CG2 ILE C 3 -25.540 29.193 51.731 1.00 27.80 C +ATOM 4900 CD1 ILE C 3 -24.846 30.850 49.088 1.00 29.37 C +ATOM 4901 N ASN C 4 -22.093 32.212 52.277 1.00 15.14 N +ATOM 4902 CA ASN C 4 -20.789 32.831 51.934 1.00 14.19 C +ATOM 4903 C ASN C 4 -19.987 32.870 53.238 1.00 14.83 C +ATOM 4904 O ASN C 4 -19.899 33.868 53.958 1.00 16.57 O +ATOM 4905 CB ASN C 4 -21.011 34.225 51.344 1.00 13.80 C +ATOM 4906 CG ASN C 4 -21.855 34.102 50.125 1.00 15.15 C +ATOM 4907 OD1 ASN C 4 -23.010 34.572 50.078 1.00 17.86 O +ATOM 4908 ND2 ASN C 4 -21.338 33.353 49.170 1.00 14.84 N +ATOM 4909 N GLN C 5 -19.415 31.711 53.522 1.00 13.53 N +ATOM 4910 CA GLN C 5 -18.839 31.454 54.833 1.00 14.20 C +ATOM 4911 C GLN C 5 -17.659 32.403 55.203 1.00 13.85 C +ATOM 4912 O GLN C 5 -17.591 32.823 56.336 1.00 14.56 O +ATOM 4913 CB GLN C 5 -18.347 29.990 54.960 1.00 12.79 C +ATOM 4914 CG GLN C 5 -19.421 28.961 54.654 1.00 13.95 C +ATOM 4915 CD GLN C 5 -18.989 27.570 55.077 1.00 14.57 C +ATOM 4916 OE1 GLN C 5 -19.040 27.199 56.278 1.00 14.67 O +ATOM 4917 NE2 GLN C 5 -18.367 26.860 54.147 1.00 14.59 N +ATOM 4918 N SER C 6 -16.916 32.832 54.214 1.00 13.76 N +ATOM 4919 CA SER C 6 -15.735 33.722 54.491 1.00 13.49 C +ATOM 4920 C SER C 6 -16.186 35.166 54.698 1.00 14.21 C +ATOM 4921 O SER C 6 -15.396 35.942 55.165 1.00 14.26 O +ATOM 4922 CB SER C 6 -14.729 33.654 53.362 1.00 14.71 C +ATOM 4923 OG SER C 6 -15.224 34.296 52.208 1.00 15.63 O +ATOM 4924 N GLY C 7 -17.421 35.500 54.354 1.00 14.70 N +ATOM 4925 CA GLY C 7 -17.891 36.842 54.575 1.00 15.10 C +ATOM 4926 C GLY C 7 -18.188 37.179 55.988 1.00 13.12 C +ATOM 4927 O GLY C 7 -18.383 36.301 56.828 1.00 14.32 O +ATOM 4928 N ASP C 8 -18.271 38.476 56.265 1.00 13.55 N +ATOM 4929 CA ASP C 8 -18.510 38.950 57.618 1.00 15.72 C +ATOM 4930 C ASP C 8 -19.908 38.475 58.149 1.00 16.61 C +ATOM 4931 O ASP C 8 -20.843 38.279 57.312 1.00 19.39 O +ATOM 4932 CB ASP C 8 -18.589 40.451 57.649 1.00 15.13 C +ATOM 4933 CG ASP C 8 -17.288 41.190 57.414 1.00 17.74 C +ATOM 4934 OD1 ASP C 8 -16.140 40.611 57.586 1.00 14.16 O +ATOM 4935 OD2 ASP C 8 -17.387 42.419 57.082 1.00 17.54 O +ATOM 4936 N LYS C 9 -20.002 38.299 59.458 1.00 16.86 N +ATOM 4937 CA LYS C 9 -21.324 38.135 60.163 1.00 23.54 C +ATOM 4938 C LYS C 9 -21.776 39.468 60.688 1.00 23.45 C +ATOM 4939 O LYS C 9 -20.944 40.346 60.975 1.00 19.90 O +ATOM 4940 CB LYS C 9 -21.152 37.152 61.304 1.00 25.28 C +ATOM 4941 CG LYS C 9 -21.090 35.711 60.860 1.00 33.58 C +ATOM 4942 CD LYS C 9 -21.374 34.770 62.030 1.00 36.67 C +ATOM 4943 CE LYS C 9 -22.860 34.683 62.439 1.00 37.11 C +ATOM 4944 NZ LYS C 9 -23.675 34.177 61.296 1.00 40.43 N +ATOM 4945 N ALA C 10 -23.090 39.707 60.825 1.00 21.94 N +ATOM 4946 CA ALA C 10 -23.543 40.894 61.526 1.00 22.89 C +ATOM 4947 C ALA C 10 -22.929 40.993 62.888 1.00 20.65 C +ATOM 4948 O ALA C 10 -22.690 39.965 63.539 1.00 22.06 O +ATOM 4949 CB ALA C 10 -25.096 40.884 61.660 1.00 26.11 C +ATOM 4950 N GLY C 11 -22.688 42.253 63.282 1.00 19.53 N +ATOM 4951 CA GLY C 11 -22.107 42.580 64.515 1.00 18.66 C +ATOM 4952 C GLY C 11 -23.133 42.543 65.699 1.00 17.76 C +ATOM 4953 O GLY C 11 -24.296 42.075 65.517 1.00 24.16 O +ATOM 4954 N SER C 12 -22.612 42.898 66.841 1.00 19.88 N +ATOM 4955 CA SER C 12 -23.376 42.925 68.091 1.00 20.23 C +ATOM 4956 C SER C 12 -23.881 44.309 68.346 1.00 19.36 C +ATOM 4957 O SER C 12 -23.072 45.258 68.321 1.00 18.46 O +ATOM 4958 CB SER C 12 -22.480 42.482 69.213 1.00 22.29 C +ATOM 4959 OG SER C 12 -21.966 41.150 68.964 1.00 26.13 O +ATOM 4960 N THR C 13 -25.171 44.438 68.703 1.00 20.41 N +ATOM 4961 CA THR C 13 -25.710 45.762 68.989 1.00 19.46 C +ATOM 4962 C THR C 13 -25.193 46.155 70.353 1.00 20.50 C +ATOM 4963 O THR C 13 -25.497 45.438 71.349 1.00 23.10 O +ATOM 4964 CB THR C 13 -27.217 45.752 68.974 1.00 20.47 C +ATOM 4965 OG1 THR C 13 -27.669 45.448 67.643 1.00 23.81 O +ATOM 4966 CG2 THR C 13 -27.725 47.170 69.372 1.00 21.55 C +ATOM 4967 N VAL C 14 -24.452 47.250 70.462 1.00 17.14 N +ATOM 4968 CA VAL C 14 -23.940 47.777 71.724 1.00 18.99 C +ATOM 4969 C VAL C 14 -24.674 49.018 72.258 1.00 19.94 C +ATOM 4970 O VAL C 14 -24.422 49.477 73.377 1.00 20.26 O +ATOM 4971 CB VAL C 14 -22.395 48.020 71.708 1.00 20.13 C +ATOM 4972 CG1 VAL C 14 -21.637 46.708 71.373 1.00 20.79 C +ATOM 4973 CG2 VAL C 14 -21.959 49.103 70.727 1.00 21.49 C +ATOM 4974 N TYR C 15 -25.445 49.625 71.401 1.00 19.19 N +ATOM 4975 CA TYR C 15 -26.210 50.818 71.702 1.00 19.97 C +ATOM 4976 C TYR C 15 -27.430 50.873 70.838 1.00 20.12 C +ATOM 4977 O TYR C 15 -27.395 50.593 69.647 1.00 18.57 O +ATOM 4978 CB TYR C 15 -25.365 52.085 71.454 1.00 19.64 C +ATOM 4979 CG TYR C 15 -26.087 53.386 71.794 1.00 19.75 C +ATOM 4980 CD1 TYR C 15 -26.034 53.891 73.043 1.00 23.17 C +ATOM 4981 CD2 TYR C 15 -26.792 54.073 70.820 1.00 22.07 C +ATOM 4982 CE1 TYR C 15 -26.643 55.103 73.349 1.00 24.07 C +ATOM 4983 CE2 TYR C 15 -27.446 55.292 71.120 1.00 25.22 C +ATOM 4984 CZ TYR C 15 -27.389 55.758 72.414 1.00 27.47 C +ATOM 4985 OH TYR C 15 -28.037 56.956 72.791 1.00 31.43 O +ATOM 4986 N SER C 16 -28.601 51.144 71.453 1.00 20.57 N +ATOM 4987 CA SER C 16 -29.812 51.232 70.697 1.00 21.29 C +ATOM 4988 C SER C 16 -30.754 52.168 71.461 1.00 26.61 C +ATOM 4989 O SER C 16 -31.308 51.787 72.488 1.00 27.78 O +ATOM 4990 CB SER C 16 -30.419 49.876 70.527 1.00 25.34 C +ATOM 4991 OG SER C 16 -31.509 49.949 69.632 1.00 34.07 O +ATOM 4992 N ALA C 17 -30.878 53.382 71.000 1.00 23.86 N +ATOM 4993 CA ALA C 17 -31.781 54.358 71.680 1.00 23.58 C +ATOM 4994 C ALA C 17 -32.083 55.506 70.772 1.00 28.49 C +ATOM 4995 O ALA C 17 -31.319 55.836 69.906 1.00 23.00 O +ATOM 4996 CB ALA C 17 -31.105 54.881 72.929 1.00 26.97 C +ATOM 4997 N LYS C 18 -33.217 56.188 70.947 1.00 23.80 N +ATOM 4998 CA LYS C 18 -33.445 57.451 70.202 1.00 22.70 C +ATOM 4999 C LYS C 18 -33.398 57.293 68.685 1.00 24.19 C +ATOM 5000 O LYS C 18 -33.048 58.240 67.993 1.00 29.27 O +ATOM 5001 CB LYS C 18 -32.568 58.602 70.614 1.00 30.77 C +ATOM 5002 CG LYS C 18 -32.694 58.956 72.078 1.00 34.72 C +ATOM 5003 CD LYS C 18 -31.509 59.823 72.527 1.00 43.24 C +ATOM 5004 CE LYS C 18 -31.228 59.609 74.020 1.00 50.75 C +ATOM 5005 NZ LYS C 18 -31.151 60.887 74.760 1.00 55.64 N +ATOM 5006 N GLY C 19 -33.788 56.139 68.229 1.00 23.95 N +ATOM 5007 CA GLY C 19 -33.769 55.856 66.784 1.00 30.16 C +ATOM 5008 C GLY C 19 -32.356 55.574 66.212 1.00 36.55 C +ATOM 5009 O GLY C 19 -32.227 55.411 64.999 1.00 38.58 O +ATOM 5010 N THR C 20 -31.332 55.490 67.079 1.00 30.05 N +ATOM 5011 CA THR C 20 -29.883 55.313 66.694 1.00 29.59 C +ATOM 5012 C THR C 20 -29.497 53.875 67.141 1.00 28.06 C +ATOM 5013 O THR C 20 -29.798 53.463 68.241 1.00 25.27 O +ATOM 5014 CB THR C 20 -28.932 56.352 67.395 1.00 30.69 C +ATOM 5015 OG1 THR C 20 -29.082 57.691 66.839 1.00 41.46 O +ATOM 5016 CG2 THR C 20 -27.452 56.047 67.232 1.00 39.57 C +ATOM 5017 N SER C 21 -28.686 53.165 66.369 1.00 22.07 N +ATOM 5018 CA SER C 21 -28.113 51.923 66.835 1.00 18.65 C +ATOM 5019 C SER C 21 -26.608 51.903 66.453 1.00 21.60 C +ATOM 5020 O SER C 21 -26.226 52.550 65.515 1.00 20.26 O +ATOM 5021 CB SER C 21 -28.866 50.769 66.317 1.00 24.38 C +ATOM 5022 OG SER C 21 -28.790 50.589 64.882 1.00 26.04 O +ATOM 5023 N LEU C 22 -25.820 51.259 67.274 1.00 16.43 N +ATOM 5024 CA LEU C 22 -24.350 51.055 66.989 1.00 16.79 C +ATOM 5025 C LEU C 22 -24.156 49.563 67.123 1.00 17.27 C +ATOM 5026 O LEU C 22 -24.486 48.997 68.152 1.00 16.64 O +ATOM 5027 CB LEU C 22 -23.452 51.779 67.908 1.00 16.78 C +ATOM 5028 CG LEU C 22 -21.959 51.636 67.668 1.00 17.44 C +ATOM 5029 CD1 LEU C 22 -21.597 52.122 66.280 1.00 20.07 C +ATOM 5030 CD2 LEU C 22 -21.203 52.422 68.677 1.00 19.67 C +ATOM 5031 N GLU C 23 -23.553 48.964 66.091 1.00 15.84 N +ATOM 5032 CA GLU C 23 -23.191 47.510 66.076 1.00 18.02 C +ATOM 5033 C GLU C 23 -21.688 47.395 65.911 1.00 18.04 C +ATOM 5034 O GLU C 23 -21.139 48.042 65.008 1.00 17.05 O +ATOM 5035 CB GLU C 23 -23.897 46.816 64.916 1.00 19.37 C +ATOM 5036 CG GLU C 23 -25.399 46.739 65.142 1.00 26.11 C +ATOM 5037 CD GLU C 23 -26.111 46.351 63.878 1.00 31.50 C +ATOM 5038 OE1 GLU C 23 -25.760 45.291 63.364 1.00 36.60 O +ATOM 5039 OE2 GLU C 23 -26.942 47.141 63.342 1.00 38.07 O +ATOM 5040 N VAL C 24 -21.027 46.638 66.778 1.00 16.38 N +ATOM 5041 CA VAL C 24 -19.586 46.420 66.693 1.00 16.03 C +ATOM 5042 C VAL C 24 -19.465 45.000 66.249 1.00 17.17 C +ATOM 5043 O VAL C 24 -20.039 44.089 66.876 1.00 18.37 O +ATOM 5044 CB VAL C 24 -18.918 46.657 68.014 1.00 17.42 C +ATOM 5045 CG1 VAL C 24 -17.445 46.287 67.981 1.00 17.74 C +ATOM 5046 CG2 VAL C 24 -19.090 48.122 68.411 1.00 19.27 C +ATOM 5047 N GLY C 25 -18.717 44.785 65.175 1.00 15.24 N +ATOM 5048 CA GLY C 25 -18.536 43.468 64.638 1.00 15.89 C +ATOM 5049 C GLY C 25 -17.095 43.269 64.175 1.00 14.73 C +ATOM 5050 O GLY C 25 -16.216 44.044 64.521 1.00 13.87 O +ATOM 5051 N GLY C 26 -16.889 42.159 63.451 1.00 16.21 N +ATOM 5052 CA GLY C 26 -15.571 41.821 63.005 1.00 14.71 C +ATOM 5053 C GLY C 26 -15.259 40.381 63.393 1.00 13.80 C +ATOM 5054 O GLY C 26 -16.133 39.587 63.689 1.00 13.42 O +ATOM 5055 N ARG C 27 -13.991 40.093 63.389 1.00 13.97 N +ATOM 5056 CA ARG C 27 -13.542 38.735 63.654 1.00 14.52 C +ATOM 5057 C ARG C 27 -12.122 38.685 64.160 1.00 12.12 C +ATOM 5058 O ARG C 27 -11.341 39.600 63.992 1.00 12.92 O +ATOM 5059 CB ARG C 27 -13.635 37.842 62.429 1.00 14.13 C +ATOM 5060 CG ARG C 27 -12.627 38.170 61.345 1.00 13.93 C +ATOM 5061 CD ARG C 27 -12.706 37.367 60.057 1.00 14.26 C +ATOM 5062 NE ARG C 27 -13.821 37.833 59.246 1.00 13.68 N +ATOM 5063 CZ ARG C 27 -14.182 37.308 58.086 1.00 14.55 C +ATOM 5064 NH1 ARG C 27 -13.556 36.255 57.615 1.00 13.80 N +ATOM 5065 NH2 ARG C 27 -15.200 37.795 57.418 1.00 14.08 N +ATOM 5066 N ALA C 28 -11.809 37.554 64.822 1.00 13.06 N +ATOM 5067 CA ALA C 28 -10.454 37.203 65.063 1.00 13.46 C +ATOM 5068 C ALA C 28 -10.337 35.820 64.476 1.00 12.58 C +ATOM 5069 O ALA C 28 -10.997 34.858 64.927 1.00 13.57 O +ATOM 5070 CB ALA C 28 -10.145 37.188 66.549 1.00 13.67 C +ATOM 5071 N GLU C 29 -9.572 35.718 63.406 1.00 13.24 N +ATOM 5072 CA GLU C 29 -9.602 34.515 62.590 1.00 13.15 C +ATOM 5073 C GLU C 29 -8.159 34.031 62.459 1.00 12.82 C +ATOM 5074 O GLU C 29 -7.336 34.596 61.719 1.00 12.90 O +ATOM 5075 CB GLU C 29 -10.163 34.779 61.213 1.00 14.15 C +ATOM 5076 CG GLU C 29 -10.254 33.509 60.342 1.00 14.14 C +ATOM 5077 CD GLU C 29 -11.046 33.669 59.071 1.00 17.25 C +ATOM 5078 OE1 GLU C 29 -11.182 34.824 58.564 1.00 15.20 O +ATOM 5079 OE2 GLU C 29 -11.490 32.635 58.535 1.00 16.07 O +ATOM 5080 N ALA C 30 -7.843 32.961 63.195 1.00 12.90 N +ATOM 5081 CA ALA C 30 -6.573 32.262 63.165 1.00 13.38 C +ATOM 5082 C ALA C 30 -6.488 31.369 61.942 1.00 13.64 C +ATOM 5083 O ALA C 30 -7.397 30.627 61.676 1.00 14.06 O +ATOM 5084 CB ALA C 30 -6.385 31.453 64.428 1.00 13.39 C +ATOM 5085 N ARG C 31 -5.484 31.546 61.104 1.00 11.85 N +ATOM 5086 CA ARG C 31 -5.378 30.850 59.848 1.00 12.23 C +ATOM 5087 C ARG C 31 -3.932 30.388 59.603 1.00 13.65 C +ATOM 5088 O ARG C 31 -3.047 31.204 59.405 1.00 13.28 O +ATOM 5089 CB ARG C 31 -5.827 31.669 58.645 1.00 12.60 C +ATOM 5090 CG ARG C 31 -7.229 32.269 58.809 1.00 13.26 C +ATOM 5091 CD ARG C 31 -7.774 32.822 57.515 1.00 13.62 C +ATOM 5092 NE ARG C 31 -6.954 33.840 56.939 1.00 12.39 N +ATOM 5093 CZ ARG C 31 -7.089 34.358 55.740 1.00 12.91 C +ATOM 5094 NH1 ARG C 31 -8.104 33.989 54.957 1.00 13.48 N +ATOM 5095 NH2 ARG C 31 -6.266 35.311 55.337 1.00 14.26 N +ATOM 5096 N LEU C 32 -3.734 29.052 59.602 1.00 12.98 N +ATOM 5097 CA LEU C 32 -2.411 28.420 59.272 1.00 14.40 C +ATOM 5098 C LEU C 32 -2.486 27.915 57.870 1.00 14.91 C +ATOM 5099 O LEU C 32 -3.380 27.126 57.513 1.00 14.06 O +ATOM 5100 CB LEU C 32 -2.177 27.321 60.304 1.00 15.79 C +ATOM 5101 CG LEU C 32 -0.993 26.411 60.002 1.00 21.26 C +ATOM 5102 CD1 LEU C 32 0.259 27.127 60.209 1.00 21.96 C +ATOM 5103 CD2 LEU C 32 -1.034 25.192 60.925 1.00 24.14 C +ATOM 5104 N SER C 33 -1.607 28.401 57.023 1.00 13.18 N +ATOM 5105 CA SER C 33 -1.433 27.988 55.649 1.00 13.97 C +ATOM 5106 C SER C 33 -0.179 27.103 55.534 1.00 16.10 C +ATOM 5107 O SER C 33 0.894 27.516 55.985 1.00 14.34 O +ATOM 5108 CB SER C 33 -1.268 29.177 54.760 1.00 14.58 C +ATOM 5109 OG SER C 33 -0.728 28.916 53.468 1.00 14.90 O +ATOM 5110 N LEU C 34 -0.321 25.921 54.942 1.00 14.30 N +ATOM 5111 CA LEU C 34 0.775 24.991 54.698 1.00 15.97 C +ATOM 5112 C LEU C 34 0.926 24.735 53.201 1.00 16.77 C +ATOM 5113 O LEU C 34 -0.033 24.281 52.534 1.00 16.98 O +ATOM 5114 CB LEU C 34 0.517 23.715 55.449 1.00 17.47 C +ATOM 5115 CG LEU C 34 0.816 23.825 56.956 1.00 24.04 C +ATOM 5116 CD1 LEU C 34 0.003 22.803 57.712 1.00 29.74 C +ATOM 5117 CD2 LEU C 34 2.375 23.597 57.018 1.00 26.85 C +ATOM 5118 N LYS C 35 2.072 25.105 52.594 1.00 15.60 N +ATOM 5119 CA LYS C 35 2.367 24.887 51.212 1.00 16.33 C +ATOM 5120 C LYS C 35 3.759 24.226 51.174 1.00 20.47 C +ATOM 5121 O LYS C 35 4.705 24.711 51.834 1.00 18.34 O +ATOM 5122 CB LYS C 35 2.351 26.128 50.380 1.00 18.63 C +ATOM 5123 CG LYS C 35 1.018 26.877 50.399 1.00 18.29 C +ATOM 5124 CD LYS C 35 1.060 28.089 49.447 1.00 22.78 C +ATOM 5125 CE LYS C 35 0.941 27.728 48.002 1.00 27.58 C +ATOM 5126 NZ LYS C 35 0.607 28.908 47.118 1.00 29.98 N +ATOM 5127 N ASP C 36 3.835 23.068 50.489 1.00 19.24 N +ATOM 5128 CA ASP C 36 5.122 22.281 50.473 1.00 19.58 C +ATOM 5129 C ASP C 36 5.674 22.084 51.830 1.00 19.01 C +ATOM 5130 O ASP C 36 6.891 22.131 52.045 1.00 23.46 O +ATOM 5131 CB ASP C 36 6.077 22.950 49.539 1.00 18.89 C +ATOM 5132 CG ASP C 36 7.271 22.012 49.086 1.00 27.96 C +ATOM 5133 OD1 ASP C 36 7.047 20.819 49.020 1.00 27.02 O +ATOM 5134 OD2 ASP C 36 8.350 22.564 48.780 1.00 31.82 O +ATOM 5135 N GLY C 37 4.813 21.844 52.798 1.00 19.59 N +ATOM 5136 CA GLY C 37 5.137 21.617 54.160 1.00 20.01 C +ATOM 5137 C GLY C 37 5.591 22.809 55.015 1.00 22.73 C +ATOM 5138 O GLY C 37 6.078 22.616 56.116 1.00 22.51 O +ATOM 5139 N LYS C 38 5.464 23.999 54.456 1.00 17.94 N +ATOM 5140 CA LYS C 38 6.014 25.218 55.049 1.00 18.25 C +ATOM 5141 C LYS C 38 4.814 26.120 55.498 1.00 16.38 C +ATOM 5142 O LYS C 38 3.940 26.374 54.690 1.00 16.17 O +ATOM 5143 CB LYS C 38 6.910 25.940 54.093 1.00 18.44 C +ATOM 5144 CG LYS C 38 8.099 25.101 53.448 1.00 24.65 C +ATOM 5145 CD LYS C 38 8.901 24.399 54.439 1.00 32.94 C +ATOM 5146 CE LYS C 38 10.127 23.739 53.683 1.00 39.07 C +ATOM 5147 NZ LYS C 38 9.779 22.913 52.499 1.00 36.03 N +ATOM 5148 N ALA C 39 4.904 26.605 56.736 1.00 17.73 N +ATOM 5149 CA ALA C 39 3.772 27.291 57.446 1.00 16.83 C +ATOM 5150 C ALA C 39 3.853 28.782 57.336 1.00 18.05 C +ATOM 5151 O ALA C 39 4.914 29.404 57.530 1.00 16.40 O +ATOM 5152 CB ALA C 39 3.814 26.929 58.869 1.00 16.62 C +ATOM 5153 N GLN C 40 2.727 29.375 57.001 1.00 13.90 N +ATOM 5154 CA GLN C 40 2.590 30.882 57.003 1.00 14.46 C +ATOM 5155 C GLN C 40 1.364 31.205 57.890 1.00 14.50 C +ATOM 5156 O GLN C 40 0.305 30.599 57.757 1.00 14.47 O +ATOM 5157 CB GLN C 40 2.422 31.436 55.630 1.00 14.34 C +ATOM 5158 CG GLN C 40 2.183 32.949 55.564 1.00 15.22 C +ATOM 5159 CD GLN C 40 2.527 33.482 54.233 1.00 18.75 C +ATOM 5160 OE1 GLN C 40 3.703 33.494 53.833 1.00 20.86 O +ATOM 5161 NE2 GLN C 40 1.529 33.952 53.508 1.00 17.20 N +ATOM 5162 N ASP C 41 1.531 32.202 58.734 1.00 13.06 N +ATOM 5163 CA ASP C 41 0.447 32.719 59.526 1.00 12.62 C +ATOM 5164 C ASP C 41 -0.333 33.736 58.751 1.00 12.90 C +ATOM 5165 O ASP C 41 0.128 34.841 58.509 1.00 13.19 O +ATOM 5166 CB ASP C 41 1.009 33.324 60.828 1.00 14.36 C +ATOM 5167 CG ASP C 41 -0.070 33.745 61.802 1.00 15.89 C +ATOM 5168 OD1 ASP C 41 -1.238 33.816 61.399 1.00 14.55 O +ATOM 5169 OD2 ASP C 41 0.157 33.987 63.014 1.00 14.93 O +ATOM 5170 N ASN C 42 -1.498 33.323 58.298 1.00 12.51 N +ATOM 5171 CA ASN C 42 -2.432 34.180 57.573 1.00 12.76 C +ATOM 5172 C ASN C 42 -3.574 34.677 58.432 1.00 12.88 C +ATOM 5173 O ASN C 42 -4.615 35.089 57.912 1.00 12.79 O +ATOM 5174 CB ASN C 42 -2.935 33.441 56.330 1.00 12.62 C +ATOM 5175 CG ASN C 42 -1.892 33.376 55.199 1.00 13.71 C +ATOM 5176 OD1 ASN C 42 -0.895 34.152 55.165 1.00 15.20 O +ATOM 5177 ND2 ASN C 42 -2.169 32.474 54.215 1.00 15.51 N +ATOM 5178 N SER C 43 -3.389 34.691 59.736 1.00 11.41 N +ATOM 5179 CA SER C 43 -4.435 35.153 60.687 1.00 11.90 C +ATOM 5180 C SER C 43 -4.751 36.601 60.416 1.00 13.16 C +ATOM 5181 O SER C 43 -3.937 37.411 59.939 1.00 12.93 O +ATOM 5182 CB SER C 43 -4.005 34.967 62.143 1.00 12.95 C +ATOM 5183 OG SER C 43 -3.630 33.597 62.366 1.00 13.73 O +ATOM 5184 N ARG C 44 -5.985 36.987 60.737 1.00 12.65 N +ATOM 5185 CA ARG C 44 -6.407 38.381 60.565 1.00 12.77 C +ATOM 5186 C ARG C 44 -7.505 38.661 61.557 1.00 13.67 C +ATOM 5187 O ARG C 44 -8.341 37.811 61.891 1.00 13.77 O +ATOM 5188 CB ARG C 44 -6.984 38.548 59.156 1.00 14.69 C +ATOM 5189 CG ARG C 44 -8.174 37.615 58.837 1.00 17.70 C +ATOM 5190 CD ARG C 44 -8.438 37.586 57.410 1.00 22.13 C +ATOM 5191 NE ARG C 44 -9.506 36.705 57.042 1.00 18.79 N +ATOM 5192 CZ ARG C 44 -9.977 36.615 55.849 1.00 22.43 C +ATOM 5193 NH1 ARG C 44 -9.383 37.297 54.850 1.00 25.55 N +ATOM 5194 NH2 ARG C 44 -10.942 35.764 55.611 1.00 22.27 N +ATOM 5195 N VAL C 45 -7.522 39.922 61.956 1.00 12.03 N +ATOM 5196 CA VAL C 45 -8.590 40.515 62.771 1.00 12.46 C +ATOM 5197 C VAL C 45 -9.326 41.515 61.879 1.00 12.43 C +ATOM 5198 O VAL C 45 -8.675 42.226 61.095 1.00 13.06 O +ATOM 5199 CB VAL C 45 -8.051 41.163 64.022 1.00 12.51 C +ATOM 5200 CG1 VAL C 45 -9.041 42.237 64.637 1.00 13.06 C +ATOM 5201 CG2 VAL C 45 -7.739 40.050 65.051 1.00 13.84 C +ATOM 5202 N ARG C 46 -10.676 41.525 61.983 1.00 12.01 N +ATOM 5203 CA ARG C 46 -11.415 42.693 61.521 1.00 12.13 C +ATOM 5204 C ARG C 46 -12.148 43.330 62.689 1.00 12.93 C +ATOM 5205 O ARG C 46 -12.644 42.620 63.577 1.00 12.97 O +ATOM 5206 CB ARG C 46 -12.402 42.337 60.394 1.00 12.55 C +ATOM 5207 CG ARG C 46 -11.683 41.789 59.156 1.00 13.31 C +ATOM 5208 CD ARG C 46 -12.637 41.405 58.071 1.00 13.85 C +ATOM 5209 NE ARG C 46 -11.927 41.000 56.897 1.00 13.38 N +ATOM 5210 CZ ARG C 46 -12.476 40.451 55.833 1.00 15.82 C +ATOM 5211 NH1 ARG C 46 -13.805 40.349 55.761 1.00 16.60 N +ATOM 5212 NH2 ARG C 46 -11.701 40.089 54.796 1.00 15.27 N +ATOM 5213 N LEU C 47 -12.250 44.659 62.629 1.00 12.79 N +ATOM 5214 CA LEU C 47 -13.096 45.395 63.535 1.00 12.63 C +ATOM 5215 C LEU C 47 -13.994 46.265 62.686 1.00 12.38 C +ATOM 5216 O LEU C 47 -13.519 46.907 61.726 1.00 12.75 O +ATOM 5217 CB LEU C 47 -12.227 46.302 64.426 1.00 13.33 C +ATOM 5218 CG LEU C 47 -11.195 45.647 65.347 1.00 15.72 C +ATOM 5219 CD1 LEU C 47 -10.427 46.746 66.073 1.00 18.06 C +ATOM 5220 CD2 LEU C 47 -11.893 44.702 66.300 1.00 16.08 C +ATOM 5221 N ASN C 48 -15.299 46.250 62.961 1.00 12.25 N +ATOM 5222 CA ASN C 48 -16.187 47.094 62.236 1.00 12.50 C +ATOM 5223 C ASN C 48 -17.219 47.738 63.136 1.00 13.82 C +ATOM 5224 O ASN C 48 -17.481 47.298 64.252 1.00 13.31 O +ATOM 5225 CB ASN C 48 -16.726 46.425 61.037 1.00 12.19 C +ATOM 5226 CG ASN C 48 -17.641 45.234 61.335 1.00 15.54 C +ATOM 5227 OD1 ASN C 48 -18.527 45.280 62.204 1.00 16.54 O +ATOM 5228 ND2 ASN C 48 -17.486 44.154 60.554 1.00 17.96 N +ATOM 5229 N PHE C 49 -17.711 48.865 62.628 1.00 12.99 N +ATOM 5230 CA PHE C 49 -18.631 49.767 63.354 1.00 12.43 C +ATOM 5231 C PHE C 49 -19.733 50.185 62.371 1.00 14.46 C +ATOM 5232 O PHE C 49 -19.405 50.816 61.345 1.00 13.29 O +ATOM 5233 CB PHE C 49 -17.909 50.981 63.906 1.00 12.94 C +ATOM 5234 CG PHE C 49 -16.805 50.641 64.898 1.00 14.15 C +ATOM 5235 CD1 PHE C 49 -15.587 50.133 64.437 1.00 16.68 C +ATOM 5236 CD2 PHE C 49 -17.051 50.629 66.222 1.00 18.44 C +ATOM 5237 CE1 PHE C 49 -14.635 49.725 65.331 1.00 16.40 C +ATOM 5238 CE2 PHE C 49 -16.088 50.258 67.147 1.00 18.61 C +ATOM 5239 CZ PHE C 49 -14.873 49.804 66.699 1.00 19.84 C +ATOM 5240 N LEU C 50 -20.961 49.806 62.659 1.00 14.00 N +ATOM 5241 CA LEU C 50 -22.139 50.103 61.813 1.00 13.94 C +ATOM 5242 C LEU C 50 -23.108 50.913 62.626 1.00 14.77 C +ATOM 5243 O LEU C 50 -23.666 50.435 63.601 1.00 15.25 O +ATOM 5244 CB LEU C 50 -22.824 48.832 61.367 1.00 16.58 C +ATOM 5245 CG LEU C 50 -24.044 49.013 60.458 1.00 16.75 C +ATOM 5246 CD1 LEU C 50 -23.724 49.665 59.152 1.00 16.67 C +ATOM 5247 CD2 LEU C 50 -24.628 47.622 60.229 1.00 22.30 C +ATOM 5248 N GLY C 51 -23.359 52.131 62.163 1.00 14.22 N +ATOM 5249 CA GLY C 51 -24.321 53.075 62.734 1.00 14.96 C +ATOM 5250 C GLY C 51 -25.502 53.180 61.832 1.00 18.47 C +ATOM 5251 O GLY C 51 -25.352 53.343 60.587 1.00 17.49 O +ATOM 5252 N LYS C 52 -26.719 53.165 62.463 1.00 17.68 N +ATOM 5253 CA LYS C 52 -27.976 53.391 61.673 1.00 20.98 C +ATOM 5254 C LYS C 52 -28.854 54.363 62.434 1.00 24.15 C +ATOM 5255 O LYS C 52 -29.021 54.236 63.654 1.00 24.81 O +ATOM 5256 CB LYS C 52 -28.740 52.160 61.513 1.00 24.24 C +ATOM 5257 CG LYS C 52 -28.153 51.061 60.615 1.00 34.78 C +ATOM 5258 CD LYS C 52 -29.202 49.952 60.275 1.00 45.88 C +ATOM 5259 CE LYS C 52 -30.680 50.478 60.301 1.00 53.78 C +ATOM 5260 NZ LYS C 52 -31.782 49.550 59.878 1.00 60.82 N +ATOM 5261 N ALA C 53 -29.332 55.381 61.744 1.00 21.25 N +ATOM 5262 CA ALA C 53 -30.260 56.391 62.346 1.00 23.35 C +ATOM 5263 C ALA C 53 -31.574 56.304 61.634 1.00 23.10 C +ATOM 5264 O ALA C 53 -31.654 56.515 60.444 1.00 19.93 O +ATOM 5265 CB ALA C 53 -29.740 57.731 62.175 1.00 23.19 C +ATOM 5266 N GLU C 54 -32.640 55.927 62.329 1.00 23.87 N +ATOM 5267 CA GLU C 54 -33.960 55.883 61.693 1.00 25.18 C +ATOM 5268 C GLU C 54 -34.459 57.297 61.582 1.00 24.81 C +ATOM 5269 O GLU C 54 -34.396 58.036 62.563 1.00 29.45 O +ATOM 5270 CB GLU C 54 -34.975 55.077 62.531 1.00 28.24 C +ATOM 5271 CG GLU C 54 -34.716 53.607 62.509 1.00 38.96 C +ATOM 5272 CD GLU C 54 -35.774 52.867 63.308 1.00 44.23 C +ATOM 5273 OE1 GLU C 54 -36.955 52.853 62.845 1.00 50.28 O +ATOM 5274 OE2 GLU C 54 -35.386 52.382 64.394 1.00 42.83 O +ATOM 5275 N ILE C 55 -34.852 57.695 60.388 1.00 22.87 N +ATOM 5276 CA ILE C 55 -35.304 59.038 60.158 1.00 23.10 C +ATOM 5277 C ILE C 55 -36.848 58.984 60.247 1.00 30.80 C +ATOM 5278 O ILE C 55 -37.463 59.679 61.088 1.00 28.55 O +ATOM 5279 CB ILE C 55 -34.779 59.575 58.879 1.00 23.90 C +ATOM 5280 CG1 ILE C 55 -33.236 59.580 58.976 1.00 23.94 C +ATOM 5281 CG2 ILE C 55 -35.353 60.994 58.631 1.00 25.30 C +ATOM 5282 CD1 ILE C 55 -32.575 59.738 57.674 1.00 24.82 C +ATOM 5283 N ASN C 56 -37.440 58.123 59.435 1.00 25.91 N +ATOM 5284 CA ASN C 56 -38.863 57.835 59.570 1.00 32.97 C +ATOM 5285 C ASN C 56 -39.031 56.392 59.159 1.00 35.36 C +ATOM 5286 O ASN C 56 -38.036 55.658 58.968 1.00 31.11 O +ATOM 5287 CB ASN C 56 -39.662 58.863 58.778 1.00 31.25 C +ATOM 5288 CG ASN C 56 -39.366 58.820 57.307 1.00 30.51 C +ATOM 5289 OD1 ASN C 56 -39.360 57.751 56.685 1.00 34.07 O +ATOM 5290 ND2 ASN C 56 -39.102 59.957 56.749 1.00 34.79 N +ATOM 5291 N ASP C 57 -40.249 55.915 59.042 1.00 33.27 N +ATOM 5292 CA ASP C 57 -40.369 54.496 58.803 1.00 37.32 C +ATOM 5293 C ASP C 57 -39.951 54.027 57.372 1.00 34.47 C +ATOM 5294 O ASP C 57 -39.790 52.835 57.135 1.00 45.95 O +ATOM 5295 CB ASP C 57 -41.764 53.997 59.256 1.00 43.20 C +ATOM 5296 CG ASP C 57 -42.877 54.403 58.315 1.00 49.31 C +ATOM 5297 OD1 ASP C 57 -42.647 55.126 57.308 1.00 47.27 O +ATOM 5298 OD2 ASP C 57 -44.031 53.991 58.614 1.00 59.93 O +ATOM 5299 N SER C 58 -39.713 54.945 56.452 1.00 30.72 N +ATOM 5300 CA SER C 58 -39.228 54.596 55.121 1.00 34.56 C +ATOM 5301 C SER C 58 -37.882 55.306 54.771 1.00 30.40 C +ATOM 5302 O SER C 58 -37.548 55.440 53.595 1.00 31.90 O +ATOM 5303 CB SER C 58 -40.267 55.004 54.096 1.00 40.68 C +ATOM 5304 OG SER C 58 -40.240 56.409 53.980 1.00 49.17 O +ATOM 5305 N LEU C 59 -37.187 55.820 55.777 1.00 26.44 N +ATOM 5306 CA LEU C 59 -35.948 56.495 55.540 1.00 23.37 C +ATOM 5307 C LEU C 59 -34.965 56.286 56.690 1.00 20.59 C +ATOM 5308 O LEU C 59 -35.308 56.386 57.885 1.00 19.15 O +ATOM 5309 CB LEU C 59 -36.184 57.979 55.338 1.00 27.66 C +ATOM 5310 CG LEU C 59 -35.019 58.784 54.734 1.00 27.29 C +ATOM 5311 CD1 LEU C 59 -34.801 58.393 53.296 1.00 30.16 C +ATOM 5312 CD2 LEU C 59 -35.275 60.295 54.830 1.00 30.20 C +ATOM 5313 N TYR C 60 -33.657 56.040 56.359 1.00 19.88 N +ATOM 5314 CA TYR C 60 -32.680 55.918 57.436 1.00 17.38 C +ATOM 5315 C TYR C 60 -31.267 56.390 56.890 1.00 15.83 C +ATOM 5316 O TYR C 60 -31.040 56.420 55.695 1.00 16.45 O +ATOM 5317 CB TYR C 60 -32.528 54.468 58.000 1.00 18.80 C +ATOM 5318 CG TYR C 60 -32.069 53.464 56.966 1.00 20.47 C +ATOM 5319 CD1 TYR C 60 -30.739 53.260 56.730 1.00 19.68 C +ATOM 5320 CD2 TYR C 60 -32.968 52.758 56.158 1.00 22.42 C +ATOM 5321 CE1 TYR C 60 -30.311 52.449 55.703 1.00 19.22 C +ATOM 5322 CE2 TYR C 60 -32.553 51.941 55.146 1.00 22.49 C +ATOM 5323 CZ TYR C 60 -31.190 51.780 54.913 1.00 22.66 C +ATOM 5324 OH TYR C 60 -30.812 50.940 53.872 1.00 24.58 O +ATOM 5325 N GLY C 61 -30.381 56.711 57.811 1.00 16.23 N +ATOM 5326 CA GLY C 61 -28.973 56.995 57.457 1.00 17.54 C +ATOM 5327 C GLY C 61 -28.075 55.922 58.047 1.00 17.95 C +ATOM 5328 O GLY C 61 -28.408 55.271 59.044 1.00 16.25 O +ATOM 5329 N VAL C 62 -26.914 55.737 57.406 1.00 14.53 N +ATOM 5330 CA VAL C 62 -25.987 54.687 57.837 1.00 16.31 C +ATOM 5331 C VAL C 62 -24.568 55.210 57.721 1.00 15.24 C +ATOM 5332 O VAL C 62 -24.218 56.033 56.817 1.00 14.61 O +ATOM 5333 CB VAL C 62 -26.191 53.378 57.019 1.00 16.71 C +ATOM 5334 CG1 VAL C 62 -26.012 53.595 55.539 1.00 18.79 C +ATOM 5335 CG2 VAL C 62 -25.254 52.277 57.405 1.00 21.41 C +ATOM 5336 N GLY C 63 -23.706 54.711 58.626 1.00 13.93 N +ATOM 5337 CA GLY C 63 -22.243 54.997 58.571 1.00 15.62 C +ATOM 5338 C GLY C 63 -21.564 53.653 58.829 1.00 15.81 C +ATOM 5339 O GLY C 63 -21.999 52.903 59.728 1.00 14.13 O +ATOM 5340 N PHE C 64 -20.487 53.402 58.098 1.00 13.96 N +ATOM 5341 CA PHE C 64 -19.821 52.091 58.292 1.00 13.46 C +ATOM 5342 C PHE C 64 -18.360 52.224 58.146 1.00 13.03 C +ATOM 5343 O PHE C 64 -17.843 52.867 57.222 1.00 12.29 O +ATOM 5344 CB PHE C 64 -20.310 51.032 57.308 1.00 12.94 C +ATOM 5345 CG PHE C 64 -19.741 49.639 57.579 1.00 13.22 C +ATOM 5346 CD1 PHE C 64 -20.090 48.907 58.705 1.00 14.82 C +ATOM 5347 CD2 PHE C 64 -18.897 49.050 56.673 1.00 14.33 C +ATOM 5348 CE1 PHE C 64 -19.626 47.660 58.901 1.00 14.44 C +ATOM 5349 CE2 PHE C 64 -18.421 47.821 56.859 1.00 14.66 C +ATOM 5350 CZ PHE C 64 -18.765 47.093 57.944 1.00 13.68 C +ATOM 5351 N TYR C 65 -17.590 51.575 59.058 1.00 12.83 N +ATOM 5352 CA TYR C 65 -16.160 51.418 58.942 1.00 11.65 C +ATOM 5353 C TYR C 65 -15.770 49.981 59.200 1.00 11.10 C +ATOM 5354 O TYR C 65 -16.354 49.363 60.077 1.00 12.06 O +ATOM 5355 CB TYR C 65 -15.409 52.226 60.009 1.00 12.57 C +ATOM 5356 CG TYR C 65 -13.926 51.914 60.075 1.00 13.38 C +ATOM 5357 CD1 TYR C 65 -13.064 52.379 59.115 1.00 13.71 C +ATOM 5358 CD2 TYR C 65 -13.428 51.082 61.040 1.00 13.34 C +ATOM 5359 CE1 TYR C 65 -11.731 52.021 59.088 1.00 13.27 C +ATOM 5360 CE2 TYR C 65 -12.093 50.712 61.050 1.00 12.89 C +ATOM 5361 CZ TYR C 65 -11.246 51.197 60.057 1.00 13.61 C +ATOM 5362 OH TYR C 65 -9.949 50.744 60.024 1.00 13.69 O +ATOM 5363 N GLU C 66 -14.807 49.494 58.407 1.00 11.07 N +ATOM 5364 CA GLU C 66 -14.193 48.191 58.702 1.00 11.47 C +ATOM 5365 C GLU C 66 -12.752 48.243 58.486 1.00 12.59 C +ATOM 5366 O GLU C 66 -12.309 48.699 57.411 1.00 12.00 O +ATOM 5367 CB GLU C 66 -14.800 47.052 57.922 1.00 11.44 C +ATOM 5368 CG GLU C 66 -14.054 45.714 58.124 1.00 13.52 C +ATOM 5369 CD GLU C 66 -14.789 44.569 57.473 1.00 15.17 C +ATOM 5370 OE1 GLU C 66 -14.487 44.237 56.321 1.00 15.04 O +ATOM 5371 OE2 GLU C 66 -15.742 44.043 58.041 1.00 17.60 O +ATOM 5372 N GLY C 67 -11.993 47.793 59.471 1.00 11.69 N +ATOM 5373 CA GLY C 67 -10.537 47.651 59.347 1.00 10.98 C +ATOM 5374 C GLY C 67 -10.078 46.200 59.504 1.00 11.37 C +ATOM 5375 O GLY C 67 -10.698 45.426 60.177 1.00 11.64 O +ATOM 5376 N GLU C 68 -9.033 45.877 58.772 1.00 11.15 N +ATOM 5377 CA GLU C 68 -8.395 44.550 58.905 1.00 11.94 C +ATOM 5378 C GLU C 68 -6.951 44.763 59.403 1.00 11.24 C +ATOM 5379 O GLU C 68 -6.172 45.604 58.907 1.00 11.71 O +ATOM 5380 CB GLU C 68 -8.409 43.780 57.614 1.00 12.12 C +ATOM 5381 CG GLU C 68 -7.795 42.392 57.686 1.00 13.47 C +ATOM 5382 CD GLU C 68 -8.117 41.657 56.398 1.00 15.33 C +ATOM 5383 OE1 GLU C 68 -7.232 41.642 55.496 1.00 17.24 O +ATOM 5384 OE2 GLU C 68 -9.184 41.036 56.299 1.00 15.04 O +ATOM 5385 N PHE C 69 -6.623 43.900 60.353 1.00 12.59 N +ATOM 5386 CA PHE C 69 -5.378 44.014 61.125 1.00 12.09 C +ATOM 5387 C PHE C 69 -4.629 42.652 61.145 1.00 13.03 C +ATOM 5388 O PHE C 69 -5.245 41.622 61.345 1.00 14.29 O +ATOM 5389 CB PHE C 69 -5.722 44.347 62.575 1.00 12.54 C +ATOM 5390 CG PHE C 69 -6.571 45.581 62.753 1.00 11.76 C +ATOM 5391 CD1 PHE C 69 -7.932 45.600 62.523 1.00 14.56 C +ATOM 5392 CD2 PHE C 69 -5.929 46.772 63.069 1.00 14.22 C +ATOM 5393 CE1 PHE C 69 -8.651 46.835 62.716 1.00 14.54 C +ATOM 5394 CE2 PHE C 69 -6.640 47.932 63.323 1.00 15.17 C +ATOM 5395 CZ PHE C 69 -7.986 47.973 63.083 1.00 13.42 C +ATOM 5396 N THR C 70 -3.367 42.696 60.795 1.00 12.34 N +ATOM 5397 CA THR C 70 -2.564 41.435 60.678 1.00 12.34 C +ATOM 5398 C THR C 70 -1.201 41.663 61.337 1.00 13.52 C +ATOM 5399 O THR C 70 -0.794 42.762 61.645 1.00 13.74 O +ATOM 5400 CB THR C 70 -2.389 40.992 59.250 1.00 13.89 C +ATOM 5401 OG1 THR C 70 -1.557 41.892 58.555 1.00 16.25 O +ATOM 5402 CG2 THR C 70 -3.726 40.877 58.512 1.00 13.03 C +ATOM 5403 N THR C 71 -0.460 40.552 61.465 1.00 14.41 N +ATOM 5404 CA THR C 71 0.939 40.587 61.926 1.00 13.97 C +ATOM 5405 C THR C 71 1.833 39.926 60.898 1.00 13.77 C +ATOM 5406 O THR C 71 1.375 39.072 60.109 1.00 15.13 O +ATOM 5407 CB THR C 71 1.111 39.927 63.277 1.00 14.15 C +ATOM 5408 OG1 THR C 71 0.889 38.510 63.208 1.00 14.71 O +ATOM 5409 CG2 THR C 71 0.208 40.510 64.350 1.00 14.18 C +ATOM 5410 N ASN C 72 3.122 40.247 60.935 1.00 13.70 N +ATOM 5411 CA ASN C 72 4.097 39.589 60.090 1.00 13.92 C +ATOM 5412 C ASN C 72 5.475 39.584 60.815 1.00 13.85 C +ATOM 5413 O ASN C 72 6.379 40.280 60.373 1.00 15.92 O +ATOM 5414 CB ASN C 72 4.224 40.204 58.758 1.00 15.22 C +ATOM 5415 CG ASN C 72 5.089 39.347 57.794 1.00 16.60 C +ATOM 5416 OD1 ASN C 72 5.077 38.159 57.871 1.00 18.96 O +ATOM 5417 ND2 ASN C 72 5.805 39.993 56.945 1.00 20.68 N +ATOM 5418 N ASP C 73 5.494 38.825 61.903 1.00 15.01 N +ATOM 5419 CA ASP C 73 6.647 38.851 62.838 1.00 14.67 C +ATOM 5420 C ASP C 73 7.932 38.320 62.241 1.00 16.32 C +ATOM 5421 O ASP C 73 9.034 38.861 62.515 1.00 14.34 O +ATOM 5422 CB ASP C 73 6.376 38.097 64.105 1.00 14.68 C +ATOM 5423 CG ASP C 73 5.473 38.855 65.122 1.00 15.04 C +ATOM 5424 OD1 ASP C 73 5.531 40.154 65.161 1.00 16.41 O +ATOM 5425 OD2 ASP C 73 4.778 38.160 65.890 1.00 16.03 O +ATOM 5426 N GLN C 74 7.787 37.298 61.398 1.00 17.05 N +ATOM 5427 CA GLN C 74 8.963 36.645 60.778 1.00 17.04 C +ATOM 5428 C GLN C 74 9.972 36.254 61.873 1.00 16.19 C +ATOM 5429 O GLN C 74 11.171 36.388 61.648 1.00 21.47 O +ATOM 5430 CB GLN C 74 9.571 37.474 59.706 1.00 18.23 C +ATOM 5431 CG GLN C 74 8.672 37.725 58.489 1.00 18.20 C +ATOM 5432 CD GLN C 74 8.326 36.429 57.783 1.00 19.64 C +ATOM 5433 OE1 GLN C 74 9.237 35.582 57.553 1.00 22.38 O +ATOM 5434 NE2 GLN C 74 7.062 36.208 57.456 1.00 19.58 N +ATOM 5435 N GLY C 75 9.473 35.789 62.991 1.00 17.61 N +ATOM 5436 CA GLY C 75 10.323 35.247 64.065 1.00 17.80 C +ATOM 5437 C GLY C 75 10.792 36.186 65.131 1.00 20.98 C +ATOM 5438 O GLY C 75 11.482 35.730 66.045 1.00 19.27 O +ATOM 5439 N LYS C 76 10.416 37.459 65.078 1.00 18.53 N +ATOM 5440 CA LYS C 76 10.757 38.441 66.102 1.00 19.67 C +ATOM 5441 C LYS C 76 9.488 38.991 66.703 1.00 18.25 C +ATOM 5442 O LYS C 76 8.501 38.982 66.042 1.00 18.52 O +ATOM 5443 CB LYS C 76 11.545 39.546 65.489 1.00 23.23 C +ATOM 5444 CG LYS C 76 12.907 39.029 65.012 1.00 30.42 C +ATOM 5445 CD LYS C 76 13.490 39.889 63.945 1.00 45.09 C +ATOM 5446 CE LYS C 76 13.837 41.280 64.422 1.00 47.26 C +ATOM 5447 NZ LYS C 76 15.249 41.333 64.884 1.00 61.30 N +ATOM 5448 N ASN C 77 9.477 39.398 67.967 1.00 17.47 N +ATOM 5449 CA ASN C 77 8.293 40.091 68.500 1.00 17.96 C +ATOM 5450 C ASN C 77 8.342 41.476 67.939 1.00 19.40 C +ATOM 5451 O ASN C 77 8.931 42.395 68.546 1.00 19.68 O +ATOM 5452 CB ASN C 77 8.309 40.100 70.034 1.00 16.95 C +ATOM 5453 CG ASN C 77 7.118 40.827 70.598 1.00 18.19 C +ATOM 5454 OD1 ASN C 77 6.229 41.238 69.844 1.00 17.98 O +ATOM 5455 ND2 ASN C 77 7.032 40.932 71.920 1.00 18.22 N +ATOM 5456 N ALA C 78 7.775 41.671 66.745 1.00 17.31 N +ATOM 5457 CA ALA C 78 7.905 42.861 65.991 1.00 19.65 C +ATOM 5458 C ALA C 78 6.792 43.797 66.336 1.00 15.82 C +ATOM 5459 O ALA C 78 5.795 43.392 66.940 1.00 17.02 O +ATOM 5460 CB ALA C 78 7.886 42.551 64.496 1.00 19.67 C +ATOM 5461 N SER C 79 7.035 45.077 65.991 1.00 17.56 N +ATOM 5462 CA SER C 79 5.943 46.039 66.014 1.00 17.98 C +ATOM 5463 C SER C 79 5.202 45.912 64.641 1.00 18.22 C +ATOM 5464 O SER C 79 5.857 45.904 63.612 1.00 21.33 O +ATOM 5465 CB SER C 79 6.479 47.467 66.240 1.00 20.79 C +ATOM 5466 OG SER C 79 5.361 48.346 66.547 1.00 25.39 O +ATOM 5467 N ASN C 80 3.910 45.670 64.674 1.00 15.41 N +ATOM 5468 CA ASN C 80 3.134 45.360 63.464 1.00 14.89 C +ATOM 5469 C ASN C 80 2.111 46.449 63.109 1.00 14.12 C +ATOM 5470 O ASN C 80 1.060 46.419 63.699 1.00 15.21 O +ATOM 5471 CB ASN C 80 2.440 43.988 63.663 1.00 14.86 C +ATOM 5472 CG ASN C 80 3.430 42.835 63.503 1.00 15.89 C +ATOM 5473 OD1 ASN C 80 3.870 42.570 62.363 1.00 15.34 O +ATOM 5474 ND2 ASN C 80 3.846 42.263 64.592 1.00 16.55 N +ATOM 5475 N ASN C 81 2.472 47.290 62.183 1.00 14.94 N +ATOM 5476 CA ASN C 81 1.581 48.385 61.754 1.00 16.77 C +ATOM 5477 C ASN C 81 0.973 47.914 60.427 1.00 19.63 C +ATOM 5478 O ASN C 81 1.594 48.163 59.337 1.00 24.03 O +ATOM 5479 CB ASN C 81 2.370 49.658 61.526 1.00 18.56 C +ATOM 5480 CG ASN C 81 1.462 50.892 61.367 1.00 25.71 C +ATOM 5481 OD1 ASN C 81 0.362 50.749 60.933 1.00 26.75 O +ATOM 5482 ND2 ASN C 81 1.933 52.091 61.767 1.00 24.48 N +ATOM 5483 N SER C 82 0.098 46.974 60.489 1.00 15.72 N +ATOM 5484 CA SER C 82 -0.602 46.482 59.323 1.00 14.93 C +ATOM 5485 C SER C 82 -2.083 46.695 59.495 1.00 13.80 C +ATOM 5486 O SER C 82 -2.756 46.041 60.293 1.00 14.43 O +ATOM 5487 CB SER C 82 -0.369 44.959 59.071 1.00 19.03 C +ATOM 5488 OG SER C 82 -1.308 44.595 58.058 1.00 23.96 O +ATOM 5489 N LEU C 83 -2.599 47.664 58.722 1.00 12.31 N +ATOM 5490 CA LEU C 83 -3.998 48.106 58.775 1.00 13.64 C +ATOM 5491 C LEU C 83 -4.454 48.224 57.317 1.00 11.92 C +ATOM 5492 O LEU C 83 -3.740 48.841 56.489 1.00 12.90 O +ATOM 5493 CB LEU C 83 -4.027 49.468 59.429 1.00 13.40 C +ATOM 5494 CG LEU C 83 -5.414 50.204 59.318 1.00 14.79 C +ATOM 5495 CD1 LEU C 83 -6.504 49.430 59.989 1.00 16.09 C +ATOM 5496 CD2 LEU C 83 -5.276 51.608 59.872 1.00 17.71 C +ATOM 5497 N ASP C 84 -5.659 47.718 57.041 1.00 11.26 N +ATOM 5498 CA ASP C 84 -6.319 47.987 55.789 1.00 11.59 C +ATOM 5499 C ASP C 84 -7.719 48.495 56.115 1.00 11.04 C +ATOM 5500 O ASP C 84 -8.561 47.783 56.685 1.00 11.93 O +ATOM 5501 CB ASP C 84 -6.416 46.714 54.971 1.00 12.36 C +ATOM 5502 CG ASP C 84 -7.085 46.935 53.644 1.00 15.65 C +ATOM 5503 OD1 ASP C 84 -7.214 48.060 53.160 1.00 14.22 O +ATOM 5504 OD2 ASP C 84 -7.412 45.904 52.973 1.00 18.10 O +ATOM 5505 N ASN C 85 -7.947 49.758 55.717 1.00 11.26 N +ATOM 5506 CA ASN C 85 -9.322 50.378 55.890 1.00 11.22 C +ATOM 5507 C ASN C 85 -10.210 49.858 54.752 1.00 11.19 C +ATOM 5508 O ASN C 85 -10.190 50.444 53.675 1.00 12.72 O +ATOM 5509 CB ASN C 85 -9.239 51.890 55.912 1.00 12.45 C +ATOM 5510 CG ASN C 85 -8.356 52.394 57.033 1.00 11.40 C +ATOM 5511 OD1 ASN C 85 -8.382 51.856 58.132 1.00 12.42 O +ATOM 5512 ND2 ASN C 85 -7.636 53.470 56.767 1.00 12.30 N +ATOM 5513 N ARG C 86 -10.821 48.727 54.956 1.00 11.81 N +ATOM 5514 CA ARG C 86 -11.591 47.997 53.953 1.00 11.87 C +ATOM 5515 C ARG C 86 -12.814 48.747 53.453 1.00 13.01 C +ATOM 5516 O ARG C 86 -13.105 48.704 52.275 1.00 14.11 O +ATOM 5517 CB ARG C 86 -11.963 46.616 54.472 1.00 12.74 C +ATOM 5518 CG ARG C 86 -10.810 45.648 54.547 1.00 13.60 C +ATOM 5519 CD ARG C 86 -11.260 44.362 55.160 1.00 14.04 C +ATOM 5520 NE ARG C 86 -12.332 43.680 54.481 1.00 15.05 N +ATOM 5521 CZ ARG C 86 -12.195 43.027 53.354 1.00 15.07 C +ATOM 5522 NH1 ARG C 86 -11.076 42.769 52.789 1.00 17.63 N +ATOM 5523 NH2 ARG C 86 -13.285 42.491 52.801 1.00 17.28 N +ATOM 5524 N TYR C 87 -13.494 49.372 54.387 1.00 12.23 N +ATOM 5525 CA TYR C 87 -14.754 50.142 54.072 1.00 12.06 C +ATOM 5526 C TYR C 87 -14.736 51.453 54.840 1.00 12.98 C +ATOM 5527 O TYR C 87 -14.383 51.474 56.050 1.00 12.77 O +ATOM 5528 CB TYR C 87 -15.989 49.408 54.458 1.00 11.63 C +ATOM 5529 CG TYR C 87 -16.316 48.156 53.753 1.00 12.87 C +ATOM 5530 CD1 TYR C 87 -15.699 46.937 54.066 1.00 13.49 C +ATOM 5531 CD2 TYR C 87 -17.289 48.133 52.794 1.00 14.68 C +ATOM 5532 CE1 TYR C 87 -16.019 45.774 53.427 1.00 13.07 C +ATOM 5533 CE2 TYR C 87 -17.633 46.944 52.155 1.00 15.86 C +ATOM 5534 CZ TYR C 87 -17.018 45.791 52.445 1.00 16.28 C +ATOM 5535 OH TYR C 87 -17.352 44.623 51.850 1.00 18.67 O +ATOM 5536 N THR C 88 -15.115 52.538 54.191 1.00 13.07 N +ATOM 5537 CA THR C 88 -15.326 53.838 54.855 1.00 13.63 C +ATOM 5538 C THR C 88 -16.451 54.525 54.065 1.00 13.06 C +ATOM 5539 O THR C 88 -16.159 55.154 53.071 1.00 14.59 O +ATOM 5540 CB THR C 88 -14.079 54.775 54.822 1.00 13.86 C +ATOM 5541 OG1 THR C 88 -13.602 54.986 53.466 1.00 17.56 O +ATOM 5542 CG2 THR C 88 -12.925 54.183 55.610 1.00 13.66 C +ATOM 5543 N TYR C 89 -17.664 54.444 54.542 1.00 12.09 N +ATOM 5544 CA TYR C 89 -18.749 55.012 53.824 1.00 13.15 C +ATOM 5545 C TYR C 89 -19.834 55.550 54.710 1.00 12.49 C +ATOM 5546 O TYR C 89 -20.011 55.156 55.863 1.00 13.38 O +ATOM 5547 CB TYR C 89 -19.275 54.055 52.772 1.00 12.82 C +ATOM 5548 CG TYR C 89 -20.113 52.867 53.284 1.00 12.96 C +ATOM 5549 CD1 TYR C 89 -21.406 52.978 53.720 1.00 12.50 C +ATOM 5550 CD2 TYR C 89 -19.573 51.513 53.269 1.00 11.51 C +ATOM 5551 CE1 TYR C 89 -22.161 51.880 54.085 1.00 13.09 C +ATOM 5552 CE2 TYR C 89 -20.301 50.458 53.708 1.00 12.64 C +ATOM 5553 CZ TYR C 89 -21.592 50.606 54.101 1.00 13.45 C +ATOM 5554 OH TYR C 89 -22.346 49.555 54.516 1.00 16.61 O +ATOM 5555 N ALA C 90 -20.653 56.434 54.104 1.00 12.31 N +ATOM 5556 CA ALA C 90 -21.940 56.831 54.654 1.00 13.14 C +ATOM 5557 C ALA C 90 -22.979 56.733 53.588 1.00 14.38 C +ATOM 5558 O ALA C 90 -22.685 56.800 52.407 1.00 13.09 O +ATOM 5559 CB ALA C 90 -21.890 58.233 55.272 1.00 13.95 C +ATOM 5560 N GLY C 91 -24.220 56.541 54.021 1.00 13.94 N +ATOM 5561 CA GLY C 91 -25.273 56.333 53.023 1.00 15.45 C +ATOM 5562 C GLY C 91 -26.665 56.729 53.557 1.00 14.90 C +ATOM 5563 O GLY C 91 -26.841 56.991 54.762 1.00 14.65 O +ATOM 5564 N ILE C 92 -27.617 56.711 52.642 1.00 16.06 N +ATOM 5565 CA ILE C 92 -29.005 56.995 53.004 1.00 17.75 C +ATOM 5566 C ILE C 92 -29.816 55.925 52.324 1.00 16.92 C +ATOM 5567 O ILE C 92 -29.502 55.484 51.167 1.00 17.47 O +ATOM 5568 CB ILE C 92 -29.390 58.425 52.601 1.00 20.02 C +ATOM 5569 CG1 ILE C 92 -30.729 58.782 53.226 1.00 21.80 C +ATOM 5570 CG2 ILE C 92 -29.334 58.600 51.095 1.00 19.68 C +ATOM 5571 CD1 ILE C 92 -31.008 60.232 53.026 1.00 25.33 C +ATOM 5572 N GLY C 93 -30.810 55.392 53.009 1.00 16.92 N +ATOM 5573 CA GLY C 93 -31.546 54.318 52.509 1.00 19.33 C +ATOM 5574 C GLY C 93 -33.023 54.424 52.888 1.00 22.20 C +ATOM 5575 O GLY C 93 -33.375 55.254 53.716 1.00 20.77 O +ATOM 5576 N GLY C 94 -33.796 53.479 52.377 1.00 25.80 N +ATOM 5577 CA GLY C 94 -35.270 53.487 52.632 1.00 29.38 C +ATOM 5578 C GLY C 94 -35.947 52.608 51.636 1.00 31.28 C +ATOM 5579 O GLY C 94 -35.316 51.704 51.079 1.00 28.59 O +ATOM 5580 N THR C 95 -37.255 52.856 51.407 1.00 33.10 N +ATOM 5581 CA THR C 95 -38.056 52.017 50.501 1.00 35.25 C +ATOM 5582 C THR C 95 -37.425 51.731 49.151 1.00 31.88 C +ATOM 5583 O THR C 95 -37.596 50.645 48.598 1.00 37.73 O +ATOM 5584 CB THR C 95 -39.366 52.745 50.106 1.00 38.50 C +ATOM 5585 OG1 THR C 95 -39.820 53.524 51.200 1.00 42.45 O +ATOM 5586 CG2 THR C 95 -40.428 51.709 49.586 1.00 44.22 C +ATOM 5587 N TYR C 96 -36.729 52.715 48.604 1.00 30.72 N +ATOM 5588 CA TYR C 96 -36.235 52.605 47.234 1.00 32.91 C +ATOM 5589 C TYR C 96 -34.752 52.103 47.200 1.00 28.73 C +ATOM 5590 O TYR C 96 -34.190 52.065 46.110 1.00 26.56 O +ATOM 5591 CB TYR C 96 -36.388 53.921 46.435 1.00 41.67 C +ATOM 5592 CG TYR C 96 -37.867 54.218 46.250 1.00 50.81 C +ATOM 5593 CD1 TYR C 96 -38.672 53.353 45.508 1.00 57.27 C +ATOM 5594 CD2 TYR C 96 -38.473 55.294 46.888 1.00 59.88 C +ATOM 5595 CE1 TYR C 96 -40.032 53.571 45.373 1.00 62.58 C +ATOM 5596 CE2 TYR C 96 -39.835 55.520 46.761 1.00 62.23 C +ATOM 5597 CZ TYR C 96 -40.602 54.651 46.002 1.00 64.16 C +ATOM 5598 OH TYR C 96 -41.948 54.859 45.857 1.00 70.05 O +ATOM 5599 N GLY C 97 -34.257 51.618 48.331 1.00 25.20 N +ATOM 5600 CA GLY C 97 -32.866 51.003 48.422 1.00 24.44 C +ATOM 5601 C GLY C 97 -31.919 51.893 49.188 1.00 24.87 C +ATOM 5602 O GLY C 97 -32.399 52.745 49.890 1.00 26.45 O +ATOM 5603 N GLU C 98 -30.587 51.708 49.012 1.00 18.65 N +ATOM 5604 CA GLU C 98 -29.617 52.423 49.794 1.00 17.58 C +ATOM 5605 C GLU C 98 -28.557 52.908 48.871 1.00 15.79 C +ATOM 5606 O GLU C 98 -28.103 52.142 47.995 1.00 17.66 O +ATOM 5607 CB GLU C 98 -28.983 51.464 50.813 1.00 17.79 C +ATOM 5608 CG GLU C 98 -27.999 52.110 51.786 1.00 19.83 C +ATOM 5609 CD GLU C 98 -27.452 51.119 52.833 1.00 21.08 C +ATOM 5610 OE1 GLU C 98 -28.242 50.591 53.684 1.00 21.81 O +ATOM 5611 OE2 GLU C 98 -26.227 50.904 52.862 1.00 22.42 O +ATOM 5612 N VAL C 99 -28.127 54.159 49.048 1.00 15.63 N +ATOM 5613 CA VAL C 99 -27.021 54.657 48.279 1.00 17.01 C +ATOM 5614 C VAL C 99 -25.964 55.181 49.202 1.00 16.45 C +ATOM 5615 O VAL C 99 -26.263 55.852 50.205 1.00 16.07 O +ATOM 5616 CB VAL C 99 -27.446 55.714 47.249 1.00 20.55 C +ATOM 5617 CG1 VAL C 99 -28.080 56.890 47.898 1.00 22.80 C +ATOM 5618 CG2 VAL C 99 -26.315 56.028 46.303 1.00 21.26 C +ATOM 5619 N THR C 100 -24.703 54.882 48.827 1.00 14.84 N +ATOM 5620 CA THR C 100 -23.545 55.294 49.634 1.00 13.61 C +ATOM 5621 C THR C 100 -22.509 55.990 48.816 1.00 12.70 C +ATOM 5622 O THR C 100 -22.444 55.853 47.596 1.00 13.56 O +ATOM 5623 CB THR C 100 -22.869 54.071 50.369 1.00 14.00 C +ATOM 5624 OG1 THR C 100 -22.273 53.238 49.313 1.00 15.46 O +ATOM 5625 CG2 THR C 100 -23.868 53.307 51.106 1.00 14.94 C +ATOM 5626 N TYR C 101 -21.607 56.669 49.483 1.00 13.07 N +ATOM 5627 CA TYR C 101 -20.403 57.221 48.900 1.00 13.21 C +ATOM 5628 C TYR C 101 -19.230 56.890 49.852 1.00 13.15 C +ATOM 5629 O TYR C 101 -19.419 56.926 51.069 1.00 13.35 O +ATOM 5630 CB TYR C 101 -20.446 58.754 48.595 1.00 12.64 C +ATOM 5631 CG TYR C 101 -19.226 59.278 47.967 1.00 12.35 C +ATOM 5632 CD1 TYR C 101 -18.945 59.122 46.593 1.00 13.16 C +ATOM 5633 CD2 TYR C 101 -18.239 59.894 48.696 1.00 12.68 C +ATOM 5634 CE1 TYR C 101 -17.797 59.651 46.008 1.00 13.65 C +ATOM 5635 CE2 TYR C 101 -17.142 60.488 48.125 1.00 13.54 C +ATOM 5636 CZ TYR C 101 -16.862 60.357 46.758 1.00 13.33 C +ATOM 5637 OH TYR C 101 -15.688 60.890 46.205 1.00 14.70 O +ATOM 5638 N GLY C 102 -18.087 56.554 49.267 1.00 12.76 N +ATOM 5639 CA GLY C 102 -16.875 56.251 50.000 1.00 13.17 C +ATOM 5640 C GLY C 102 -16.572 54.806 49.685 1.00 17.67 C +ATOM 5641 O GLY C 102 -17.476 54.082 49.213 1.00 26.72 O +ATOM 5642 N LYS C 103 -15.530 54.234 50.223 1.00 11.69 N +ATOM 5643 CA LYS C 103 -15.178 52.881 49.813 1.00 11.00 C +ATOM 5644 C LYS C 103 -16.199 51.843 50.277 1.00 11.25 C +ATOM 5645 O LYS C 103 -16.454 51.671 51.484 1.00 12.25 O +ATOM 5646 CB LYS C 103 -13.770 52.500 50.344 1.00 12.60 C +ATOM 5647 CG LYS C 103 -13.297 51.189 49.707 1.00 12.37 C +ATOM 5648 CD LYS C 103 -11.825 50.932 49.895 1.00 14.05 C +ATOM 5649 CE LYS C 103 -11.435 49.698 49.090 1.00 15.14 C +ATOM 5650 NZ LYS C 103 -9.981 49.500 48.970 1.00 14.63 N +ATOM 5651 N ASN C 104 -16.793 51.133 49.349 1.00 11.93 N +ATOM 5652 CA ASN C 104 -17.883 50.216 49.533 1.00 11.14 C +ATOM 5653 C ASN C 104 -17.872 49.266 48.311 1.00 11.94 C +ATOM 5654 O ASN C 104 -17.184 49.476 47.327 1.00 12.42 O +ATOM 5655 CB ASN C 104 -19.202 50.971 49.742 1.00 13.31 C +ATOM 5656 CG ASN C 104 -20.334 50.067 50.310 1.00 14.02 C +ATOM 5657 OD1 ASN C 104 -20.112 48.917 50.788 1.00 13.59 O +ATOM 5658 ND2 ASN C 104 -21.590 50.590 50.311 1.00 14.53 N +ATOM 5659 N ASP C 105 -18.667 48.195 48.427 1.00 13.05 N +ATOM 5660 CA ASP C 105 -18.751 47.239 47.377 1.00 12.38 C +ATOM 5661 C ASP C 105 -19.511 47.748 46.163 1.00 13.72 C +ATOM 5662 O ASP C 105 -20.492 48.529 46.287 1.00 15.30 O +ATOM 5663 CB ASP C 105 -19.482 45.999 47.905 1.00 15.13 C +ATOM 5664 CG ASP C 105 -18.712 45.279 48.972 1.00 16.38 C +ATOM 5665 OD1 ASP C 105 -17.554 44.925 48.765 1.00 23.34 O +ATOM 5666 OD2 ASP C 105 -19.304 44.990 49.936 1.00 25.14 O +ATOM 5667 N GLY C 106 -19.008 47.389 45.025 1.00 13.76 N +ATOM 5668 CA GLY C 106 -19.734 47.482 43.744 1.00 14.03 C +ATOM 5669 C GLY C 106 -20.656 46.283 43.567 1.00 13.22 C +ATOM 5670 O GLY C 106 -20.976 45.584 44.507 1.00 15.35 O +ATOM 5671 N ALA C 107 -21.096 46.100 42.315 1.00 12.65 N +ATOM 5672 CA ALA C 107 -22.246 45.227 42.094 1.00 13.91 C +ATOM 5673 C ALA C 107 -22.009 43.798 41.914 1.00 13.78 C +ATOM 5674 O ALA C 107 -22.962 43.006 41.977 1.00 14.74 O +ATOM 5675 CB ALA C 107 -23.029 45.787 40.909 1.00 14.66 C +ATOM 5676 N LEU C 108 -20.734 43.372 41.661 1.00 12.62 N +ATOM 5677 CA LEU C 108 -20.518 41.981 41.260 1.00 13.15 C +ATOM 5678 C LEU C 108 -20.196 41.007 42.368 1.00 13.42 C +ATOM 5679 O LEU C 108 -20.283 39.799 42.160 1.00 13.72 O +ATOM 5680 CB LEU C 108 -19.492 41.841 40.129 1.00 13.92 C +ATOM 5681 CG LEU C 108 -19.829 42.504 38.779 1.00 16.55 C +ATOM 5682 CD1 LEU C 108 -18.848 42.175 37.664 1.00 16.72 C +ATOM 5683 CD2 LEU C 108 -21.261 42.147 38.361 1.00 19.10 C +ATOM 5684 N GLY C 109 -19.930 41.474 43.592 1.00 12.63 N +ATOM 5685 CA GLY C 109 -19.665 40.570 44.686 1.00 13.42 C +ATOM 5686 C GLY C 109 -20.838 39.654 44.995 1.00 14.74 C +ATOM 5687 O GLY C 109 -20.657 38.524 45.348 1.00 13.47 O +ATOM 5688 N VAL C 110 -22.067 40.184 44.862 1.00 13.75 N +ATOM 5689 CA VAL C 110 -23.226 39.322 45.077 1.00 13.63 C +ATOM 5690 C VAL C 110 -23.419 38.254 44.003 1.00 13.79 C +ATOM 5691 O VAL C 110 -24.040 37.223 44.251 1.00 15.49 O +ATOM 5692 CB VAL C 110 -24.513 40.160 45.294 1.00 15.79 C +ATOM 5693 CG1 VAL C 110 -24.417 40.998 46.527 1.00 18.35 C +ATOM 5694 CG2 VAL C 110 -24.866 41.008 44.094 1.00 16.93 C +ATOM 5695 N ILE C 111 -22.776 38.458 42.854 1.00 14.05 N +ATOM 5696 CA ILE C 111 -22.755 37.463 41.795 1.00 14.33 C +ATOM 5697 C ILE C 111 -21.663 36.441 42.055 1.00 14.78 C +ATOM 5698 O ILE C 111 -21.879 35.201 41.965 1.00 12.92 O +ATOM 5699 CB ILE C 111 -22.623 38.104 40.433 1.00 14.08 C +ATOM 5700 CG1 ILE C 111 -23.678 39.196 40.157 1.00 16.14 C +ATOM 5701 CG2 ILE C 111 -22.683 37.081 39.313 1.00 15.44 C +ATOM 5702 CD1 ILE C 111 -25.117 38.726 40.353 1.00 16.99 C +ATOM 5703 N THR C 112 -20.459 36.937 42.425 1.00 12.95 N +ATOM 5704 CA THR C 112 -19.409 35.971 42.816 1.00 12.80 C +ATOM 5705 C THR C 112 -19.755 35.121 44.076 1.00 12.69 C +ATOM 5706 O THR C 112 -19.332 33.964 44.209 1.00 12.35 O +ATOM 5707 CB THR C 112 -18.001 36.624 42.948 1.00 12.83 C +ATOM 5708 OG1 THR C 112 -18.014 37.595 43.990 1.00 13.21 O +ATOM 5709 CG2 THR C 112 -17.581 37.250 41.676 1.00 12.48 C +ATOM 5710 N ASP C 113 -20.649 35.652 44.906 1.00 12.93 N +ATOM 5711 CA ASP C 113 -21.167 35.001 46.066 1.00 12.49 C +ATOM 5712 C ASP C 113 -21.913 33.679 45.692 1.00 13.08 C +ATOM 5713 O ASP C 113 -22.130 32.876 46.550 1.00 15.49 O +ATOM 5714 CB ASP C 113 -22.077 35.911 46.884 1.00 14.61 C +ATOM 5715 CG ASP C 113 -21.336 36.901 47.737 1.00 17.18 C +ATOM 5716 OD1 ASP C 113 -20.141 36.681 47.988 1.00 18.50 O +ATOM 5717 OD2 ASP C 113 -22.076 37.769 48.305 1.00 19.72 O +ATOM 5718 N PHE C 114 -22.322 33.520 44.440 1.00 12.72 N +ATOM 5719 CA PHE C 114 -23.017 32.256 44.090 1.00 14.19 C +ATOM 5720 C PHE C 114 -22.065 31.038 44.322 1.00 15.30 C +ATOM 5721 O PHE C 114 -22.530 29.999 44.730 1.00 14.41 O +ATOM 5722 CB PHE C 114 -23.482 32.253 42.650 1.00 14.70 C +ATOM 5723 CG PHE C 114 -24.801 32.971 42.397 1.00 15.90 C +ATOM 5724 CD1 PHE C 114 -24.944 34.328 42.599 1.00 16.62 C +ATOM 5725 CD2 PHE C 114 -25.906 32.217 41.878 1.00 17.04 C +ATOM 5726 CE1 PHE C 114 -26.170 34.926 42.372 1.00 18.39 C +ATOM 5727 CE2 PHE C 114 -27.118 32.819 41.696 1.00 15.65 C +ATOM 5728 CZ PHE C 114 -27.264 34.143 41.898 1.00 16.41 C +ATOM 5729 N THR C 115 -20.769 31.202 44.034 1.00 14.30 N +ATOM 5730 CA THR C 115 -19.839 30.086 44.138 1.00 13.11 C +ATOM 5731 C THR C 115 -18.768 30.320 45.216 1.00 12.63 C +ATOM 5732 O THR C 115 -18.045 29.409 45.505 1.00 13.11 O +ATOM 5733 CB THR C 115 -19.166 29.780 42.841 1.00 13.83 C +ATOM 5734 OG1 THR C 115 -18.678 31.014 42.280 1.00 14.74 O +ATOM 5735 CG2 THR C 115 -20.208 29.118 41.851 1.00 14.63 C +ATOM 5736 N ASP C 116 -18.736 31.511 45.800 1.00 13.23 N +ATOM 5737 CA ASP C 116 -17.763 31.825 46.878 1.00 13.17 C +ATOM 5738 C ASP C 116 -18.309 31.391 48.231 1.00 12.09 C +ATOM 5739 O ASP C 116 -18.665 32.203 49.097 1.00 14.40 O +ATOM 5740 CB ASP C 116 -17.512 33.329 46.848 1.00 13.85 C +ATOM 5741 CG ASP C 116 -16.438 33.776 47.802 1.00 15.24 C +ATOM 5742 OD1 ASP C 116 -15.708 32.943 48.385 1.00 14.47 O +ATOM 5743 OD2 ASP C 116 -16.367 35.040 48.001 1.00 17.05 O +ATOM 5744 N ILE C 117 -18.304 30.047 48.448 1.00 12.42 N +ATOM 5745 CA ILE C 117 -18.967 29.449 49.618 1.00 12.85 C +ATOM 5746 C ILE C 117 -18.024 28.760 50.569 1.00 13.07 C +ATOM 5747 O ILE C 117 -18.424 28.270 51.629 1.00 14.16 O +ATOM 5748 CB ILE C 117 -20.091 28.483 49.172 1.00 14.28 C +ATOM 5749 CG1 ILE C 117 -19.472 27.263 48.531 1.00 14.73 C +ATOM 5750 CG2 ILE C 117 -21.103 29.194 48.313 1.00 14.98 C +ATOM 5751 CD1 ILE C 117 -20.489 26.081 48.338 1.00 16.04 C +ATOM 5752 N MET C 118 -16.698 28.759 50.263 1.00 12.67 N +ATOM 5753 CA MET C 118 -15.774 28.043 51.109 1.00 13.47 C +ATOM 5754 C MET C 118 -15.271 28.915 52.260 1.00 13.43 C +ATOM 5755 O MET C 118 -15.220 30.191 52.108 1.00 13.56 O +ATOM 5756 CB MET C 118 -14.572 27.535 50.334 1.00 13.44 C +ATOM 5757 CG MET C 118 -14.919 26.811 49.019 1.00 12.84 C +ATOM 5758 SD MET C 118 -13.489 25.908 48.391 1.00 14.35 S +ATOM 5759 CE MET C 118 -13.445 24.473 49.469 1.00 15.27 C +ATOM 5760 N SER C 119 -14.724 28.296 53.283 1.00 12.42 N +ATOM 5761 CA SER C 119 -14.191 29.080 54.386 1.00 14.18 C +ATOM 5762 C SER C 119 -12.887 29.803 54.062 1.00 14.17 C +ATOM 5763 O SER C 119 -12.640 30.865 54.613 1.00 12.99 O +ATOM 5764 CB SER C 119 -13.987 28.235 55.645 1.00 13.33 C +ATOM 5765 OG SER C 119 -15.283 27.892 56.210 1.00 13.87 O +ATOM 5766 N TYR C 120 -12.071 29.256 53.159 1.00 13.09 N +ATOM 5767 CA TYR C 120 -10.727 29.806 52.857 1.00 12.60 C +ATOM 5768 C TYR C 120 -10.373 29.796 51.364 1.00 12.76 C +ATOM 5769 O TYR C 120 -9.843 30.783 50.866 1.00 14.32 O +ATOM 5770 CB TYR C 120 -9.692 29.004 53.601 1.00 13.59 C +ATOM 5771 CG TYR C 120 -8.305 29.484 53.500 1.00 12.20 C +ATOM 5772 CD1 TYR C 120 -7.489 29.062 52.498 1.00 13.16 C +ATOM 5773 CD2 TYR C 120 -7.743 30.252 54.503 1.00 14.76 C +ATOM 5774 CE1 TYR C 120 -6.141 29.506 52.440 1.00 13.59 C +ATOM 5775 CE2 TYR C 120 -6.436 30.663 54.472 1.00 14.62 C +ATOM 5776 CZ TYR C 120 -5.665 30.301 53.429 1.00 15.83 C +ATOM 5777 OH TYR C 120 -4.345 30.685 53.368 1.00 17.24 O +ATOM 5778 N HIS C 121 -10.706 28.709 50.655 1.00 12.11 N +ATOM 5779 CA HIS C 121 -10.385 28.547 49.293 1.00 12.48 C +ATOM 5780 C HIS C 121 -11.558 28.997 48.380 1.00 12.88 C +ATOM 5781 O HIS C 121 -12.451 29.708 48.881 1.00 13.04 O +ATOM 5782 CB HIS C 121 -9.880 27.117 49.042 1.00 13.26 C +ATOM 5783 CG HIS C 121 -8.516 26.892 49.564 1.00 12.24 C +ATOM 5784 ND1 HIS C 121 -8.160 25.922 50.499 1.00 13.35 N +ATOM 5785 CD2 HIS C 121 -7.377 27.551 49.235 1.00 13.03 C +ATOM 5786 CE1 HIS C 121 -6.854 26.028 50.703 1.00 15.02 C +ATOM 5787 NE2 HIS C 121 -6.363 26.970 49.921 1.00 12.78 N +ATOM 5788 N GLY C 122 -11.541 28.634 47.103 1.00 12.08 N +ATOM 5789 CA GLY C 122 -12.528 29.121 46.141 1.00 13.24 C +ATOM 5790 C GLY C 122 -12.394 30.580 45.813 1.00 12.62 C +ATOM 5791 O GLY C 122 -11.404 31.230 46.233 1.00 13.17 O +ATOM 5792 N ASN C 123 -13.280 31.063 44.951 1.00 12.75 N +ATOM 5793 CA ASN C 123 -13.220 32.415 44.428 1.00 14.55 C +ATOM 5794 C ASN C 123 -11.933 32.758 43.748 1.00 12.86 C +ATOM 5795 O ASN C 123 -11.418 33.849 43.918 1.00 14.41 O +ATOM 5796 CB ASN C 123 -13.577 33.375 45.571 1.00 14.48 C +ATOM 5797 CG ASN C 123 -13.671 34.814 45.142 1.00 15.80 C +ATOM 5798 OD1 ASN C 123 -14.480 35.127 44.230 1.00 17.90 O +ATOM 5799 ND2 ASN C 123 -12.973 35.721 45.800 1.00 13.53 N +ATOM 5800 N THR C 124 -11.365 31.768 43.061 1.00 13.37 N +ATOM 5801 CA THR C 124 -10.118 31.947 42.320 1.00 12.15 C +ATOM 5802 C THR C 124 -10.263 32.158 40.839 1.00 13.04 C +ATOM 5803 O THR C 124 -9.206 32.401 40.165 1.00 14.96 O +ATOM 5804 CB THR C 124 -9.081 30.859 42.585 1.00 14.53 C +ATOM 5805 OG1 THR C 124 -9.573 29.596 42.086 1.00 14.79 O +ATOM 5806 CG2 THR C 124 -8.826 30.627 44.086 1.00 16.16 C +ATOM 5807 N ALA C 125 -11.446 32.031 40.261 1.00 13.24 N +ATOM 5808 CA ALA C 125 -11.644 32.219 38.843 1.00 12.89 C +ATOM 5809 C ALA C 125 -12.818 33.104 38.575 1.00 14.51 C +ATOM 5810 O ALA C 125 -13.638 32.834 37.648 1.00 16.76 O +ATOM 5811 CB ALA C 125 -11.838 30.842 38.162 1.00 13.77 C +ATOM 5812 N ALA C 126 -12.926 34.195 39.320 1.00 13.83 N +ATOM 5813 CA ALA C 126 -14.017 35.154 39.158 1.00 14.94 C +ATOM 5814 C ALA C 126 -13.542 36.583 39.448 1.00 14.24 C +ATOM 5815 O ALA C 126 -14.128 37.309 40.247 1.00 15.16 O +ATOM 5816 CB ALA C 126 -15.149 34.791 40.103 1.00 18.05 C +ATOM 5817 N GLU C 127 -12.456 36.965 38.772 1.00 14.12 N +ATOM 5818 CA GLU C 127 -11.836 38.227 39.101 1.00 15.28 C +ATOM 5819 C GLU C 127 -12.841 39.361 38.858 1.00 15.33 C +ATOM 5820 O GLU C 127 -13.513 39.416 37.816 1.00 15.81 O +ATOM 5821 CB GLU C 127 -10.615 38.427 38.212 1.00 19.01 C +ATOM 5822 CG GLU C 127 -9.904 39.751 38.531 1.00 24.43 C +ATOM 5823 CD GLU C 127 -8.401 39.769 38.120 1.00 36.52 C +ATOM 5824 OE1 GLU C 127 -7.734 38.688 37.867 1.00 35.66 O +ATOM 5825 OE2 GLU C 127 -7.885 40.918 38.047 1.00 34.86 O +ATOM 5826 N LYS C 128 -12.859 40.317 39.789 1.00 13.98 N +ATOM 5827 CA LYS C 128 -13.685 41.508 39.714 1.00 12.48 C +ATOM 5828 C LYS C 128 -12.829 42.705 39.526 1.00 13.88 C +ATOM 5829 O LYS C 128 -11.836 42.903 40.283 1.00 15.80 O +ATOM 5830 CB LYS C 128 -14.500 41.687 41.001 1.00 12.54 C +ATOM 5831 CG LYS C 128 -15.638 40.645 41.221 1.00 13.60 C +ATOM 5832 CD LYS C 128 -16.602 40.964 42.371 1.00 13.32 C +ATOM 5833 CE LYS C 128 -16.025 40.856 43.759 1.00 14.09 C +ATOM 5834 NZ LYS C 128 -15.674 39.462 44.145 1.00 14.41 N +ATOM 5835 N ILE C 129 -13.148 43.499 38.530 1.00 13.77 N +ATOM 5836 CA ILE C 129 -12.480 44.773 38.355 1.00 13.91 C +ATOM 5837 C ILE C 129 -12.897 45.719 39.488 1.00 13.68 C +ATOM 5838 O ILE C 129 -13.899 45.523 40.176 1.00 12.59 O +ATOM 5839 CB ILE C 129 -12.711 45.334 36.932 1.00 17.70 C +ATOM 5840 CG1 ILE C 129 -14.080 45.808 36.734 1.00 18.62 C +ATOM 5841 CG2 ILE C 129 -12.260 44.385 35.845 1.00 18.75 C +ATOM 5842 CD1 ILE C 129 -14.278 46.551 35.380 1.00 20.94 C +ATOM 5843 N ALA C 130 -12.074 46.751 39.703 1.00 13.50 N +ATOM 5844 CA ALA C 130 -12.220 47.534 40.921 1.00 13.77 C +ATOM 5845 C ALA C 130 -13.610 48.102 41.214 1.00 12.27 C +ATOM 5846 O ALA C 130 -14.209 47.906 42.285 1.00 12.95 O +ATOM 5847 CB ALA C 130 -11.217 48.672 40.934 1.00 15.33 C +ATOM 5848 N VAL C 131 -14.231 48.720 40.180 1.00 14.43 N +ATOM 5849 CA VAL C 131 -15.547 49.309 40.342 1.00 12.73 C +ATOM 5850 C VAL C 131 -16.657 48.284 40.645 1.00 12.40 C +ATOM 5851 O VAL C 131 -17.662 48.625 41.275 1.00 14.57 O +ATOM 5852 CB VAL C 131 -15.925 50.158 39.074 1.00 13.97 C +ATOM 5853 CG1 VAL C 131 -16.124 49.283 37.871 1.00 15.98 C +ATOM 5854 CG2 VAL C 131 -17.199 50.972 39.296 1.00 14.79 C +ATOM 5855 N ALA C 132 -16.413 47.064 40.248 1.00 13.01 N +ATOM 5856 CA ALA C 132 -17.333 45.942 40.507 1.00 13.82 C +ATOM 5857 C ALA C 132 -17.130 45.281 41.863 1.00 14.58 C +ATOM 5858 O ALA C 132 -17.939 44.459 42.303 1.00 13.53 O +ATOM 5859 CB ALA C 132 -17.102 44.882 39.433 1.00 15.72 C +ATOM 5860 N ASP C 133 -15.966 45.536 42.457 1.00 13.78 N +ATOM 5861 CA ASP C 133 -15.413 44.873 43.629 1.00 14.06 C +ATOM 5862 C ASP C 133 -15.696 45.716 44.856 1.00 14.61 C +ATOM 5863 O ASP C 133 -16.805 45.642 45.422 1.00 15.11 O +ATOM 5864 CB ASP C 133 -13.935 44.506 43.402 1.00 13.74 C +ATOM 5865 CG ASP C 133 -13.289 43.738 44.533 1.00 16.15 C +ATOM 5866 OD1 ASP C 133 -14.005 43.260 45.448 1.00 16.50 O +ATOM 5867 OD2 ASP C 133 -12.031 43.730 44.460 1.00 16.69 O +ATOM 5868 N ARG C 134 -14.693 46.533 45.234 1.00 13.81 N +ATOM 5869 CA ARG C 134 -14.832 47.441 46.355 1.00 13.29 C +ATOM 5870 C ARG C 134 -13.786 48.484 46.129 1.00 14.04 C +ATOM 5871 O ARG C 134 -12.617 48.158 45.924 1.00 12.84 O +ATOM 5872 CB ARG C 134 -14.642 46.685 47.690 1.00 17.05 C +ATOM 5873 CG ARG C 134 -14.652 47.511 48.950 1.00 17.66 C +ATOM 5874 CD ARG C 134 -14.766 46.630 50.193 1.00 17.32 C +ATOM 5875 NE ARG C 134 -13.831 45.493 50.100 1.00 20.55 N +ATOM 5876 CZ ARG C 134 -12.510 45.503 50.259 1.00 18.69 C +ATOM 5877 NH1 ARG C 134 -11.779 46.552 50.780 1.00 17.40 N +ATOM 5878 NH2 ARG C 134 -11.837 44.443 49.929 1.00 23.00 N +ATOM 5879 N VAL C 135 -14.160 49.743 46.102 1.00 12.41 N +ATOM 5880 CA VAL C 135 -13.242 50.846 45.721 1.00 12.36 C +ATOM 5881 C VAL C 135 -13.904 52.154 46.179 1.00 12.39 C +ATOM 5882 O VAL C 135 -15.121 52.256 46.382 1.00 13.07 O +ATOM 5883 CB VAL C 135 -12.902 50.796 44.226 1.00 12.76 C +ATOM 5884 CG1 VAL C 135 -14.123 51.208 43.435 1.00 13.71 C +ATOM 5885 CG2 VAL C 135 -11.630 51.605 43.905 1.00 13.18 C +ATOM 5886 N ASP C 136 -13.032 53.130 46.352 1.00 10.85 N +ATOM 5887 CA ASP C 136 -13.475 54.485 46.783 1.00 12.08 C +ATOM 5888 C ASP C 136 -13.779 55.398 45.575 1.00 12.12 C +ATOM 5889 O ASP C 136 -13.788 54.988 44.400 1.00 12.50 O +ATOM 5890 CB ASP C 136 -12.451 55.044 47.792 1.00 12.68 C +ATOM 5891 CG ASP C 136 -11.175 55.522 47.189 1.00 14.34 C +ATOM 5892 OD1 ASP C 136 -11.092 55.707 45.924 1.00 14.04 O +ATOM 5893 OD2 ASP C 136 -10.172 55.671 47.935 1.00 15.14 O +ATOM 5894 N ASN C 137 -14.144 56.632 45.917 1.00 13.50 N +ATOM 5895 CA ASN C 137 -14.608 57.604 44.936 1.00 13.99 C +ATOM 5896 C ASN C 137 -15.782 57.081 44.160 1.00 13.89 C +ATOM 5897 O ASN C 137 -15.906 57.369 42.968 1.00 14.79 O +ATOM 5898 CB ASN C 137 -13.439 58.073 44.052 1.00 13.50 C +ATOM 5899 CG ASN C 137 -13.640 59.494 43.529 1.00 14.75 C +ATOM 5900 OD1 ASN C 137 -14.621 60.181 43.844 1.00 14.98 O +ATOM 5901 ND2 ASN C 137 -12.670 59.957 42.693 1.00 14.54 N +ATOM 5902 N MET C 138 -16.681 56.357 44.832 1.00 13.26 N +ATOM 5903 CA MET C 138 -17.725 55.584 44.142 1.00 13.72 C +ATOM 5904 C MET C 138 -19.030 55.718 44.830 1.00 13.98 C +ATOM 5905 O MET C 138 -19.113 55.635 46.066 1.00 15.06 O +ATOM 5906 CB MET C 138 -17.298 54.114 44.071 1.00 14.41 C +ATOM 5907 CG MET C 138 -18.292 53.251 43.337 1.00 15.39 C +ATOM 5908 SD MET C 138 -17.735 51.574 42.911 1.00 15.90 S +ATOM 5909 CE MET C 138 -17.711 50.735 44.487 1.00 17.22 C +ATOM 5910 N LEU C 139 -20.094 55.985 44.039 1.00 14.51 N +ATOM 5911 CA LEU C 139 -21.435 55.937 44.524 1.00 14.62 C +ATOM 5912 C LEU C 139 -21.898 54.513 44.332 1.00 15.27 C +ATOM 5913 O LEU C 139 -21.803 53.970 43.205 1.00 16.11 O +ATOM 5914 CB LEU C 139 -22.302 56.861 43.692 1.00 17.19 C +ATOM 5915 CG LEU C 139 -22.021 58.324 43.880 1.00 17.29 C +ATOM 5916 CD1 LEU C 139 -22.570 59.108 42.677 1.00 22.65 C +ATOM 5917 CD2 LEU C 139 -22.666 58.778 45.191 1.00 19.15 C +ATOM 5918 N ALA C 140 -22.450 53.926 45.360 1.00 13.85 N +ATOM 5919 CA ALA C 140 -22.899 52.534 45.279 1.00 16.09 C +ATOM 5920 C ALA C 140 -24.341 52.437 45.690 1.00 18.20 C +ATOM 5921 O ALA C 140 -24.699 52.945 46.774 1.00 17.63 O +ATOM 5922 CB ALA C 140 -22.070 51.612 46.167 1.00 16.28 C +ATOM 5923 N TYR C 141 -25.116 51.678 44.901 1.00 15.57 N +ATOM 5924 CA TYR C 141 -26.579 51.522 45.122 1.00 16.32 C +ATOM 5925 C TYR C 141 -26.883 50.070 45.289 1.00 16.64 C +ATOM 5926 O TYR C 141 -26.354 49.208 44.580 1.00 17.26 O +ATOM 5927 CB TYR C 141 -27.346 52.085 43.939 1.00 16.66 C +ATOM 5928 CG TYR C 141 -28.833 51.696 43.999 1.00 18.37 C +ATOM 5929 CD1 TYR C 141 -29.690 52.372 44.888 1.00 20.16 C +ATOM 5930 CD2 TYR C 141 -29.318 50.625 43.292 1.00 22.23 C +ATOM 5931 CE1 TYR C 141 -31.015 52.019 45.038 1.00 21.57 C +ATOM 5932 CE2 TYR C 141 -30.671 50.273 43.403 1.00 23.02 C +ATOM 5933 CZ TYR C 141 -31.475 50.941 44.313 1.00 22.62 C +ATOM 5934 OH TYR C 141 -32.796 50.511 44.435 1.00 26.78 O +ATOM 5935 N LYS C 142 -27.806 49.770 46.190 1.00 16.61 N +ATOM 5936 CA LYS C 142 -28.363 48.418 46.336 1.00 18.53 C +ATOM 5937 C LYS C 142 -29.875 48.524 46.696 1.00 22.06 C +ATOM 5938 O LYS C 142 -30.267 49.384 47.461 1.00 20.79 O +ATOM 5939 CB LYS C 142 -27.682 47.556 47.384 1.00 19.44 C +ATOM 5940 CG LYS C 142 -27.836 47.984 48.802 1.00 22.45 C +ATOM 5941 CD LYS C 142 -27.064 47.107 49.791 1.00 26.11 C +ATOM 5942 CE LYS C 142 -27.273 47.659 51.179 1.00 29.69 C +ATOM 5943 NZ LYS C 142 -26.684 46.784 52.222 1.00 32.19 N +ATOM 5944 N GLY C 143 -30.692 47.628 46.111 1.00 21.45 N +ATOM 5945 CA GLY C 143 -32.124 47.656 46.365 1.00 21.85 C +ATOM 5946 C GLY C 143 -32.628 46.232 46.288 1.00 22.59 C +ATOM 5947 O GLY C 143 -32.053 45.373 45.641 1.00 23.28 O +ATOM 5948 N GLN C 144 -33.654 45.942 47.062 1.00 25.56 N +ATOM 5949 CA GLN C 144 -34.257 44.610 47.007 1.00 23.88 C +ATOM 5950 C GLN C 144 -35.762 44.914 46.874 1.00 30.84 C +ATOM 5951 O GLN C 144 -36.307 45.684 47.653 1.00 31.27 O +ATOM 5952 CB GLN C 144 -33.978 43.803 48.203 1.00 25.76 C +ATOM 5953 CG GLN C 144 -34.658 42.424 48.166 1.00 29.59 C +ATOM 5954 CD GLN C 144 -33.847 41.371 47.382 1.00 33.19 C +ATOM 5955 OE1 GLN C 144 -32.613 41.403 47.361 1.00 27.45 O +ATOM 5956 NE2 GLN C 144 -34.542 40.419 46.745 1.00 31.70 N +ATOM 5957 N PHE C 145 -36.378 44.408 45.812 1.00 28.60 N +ATOM 5958 CA PHE C 145 -37.802 44.661 45.508 1.00 30.29 C +ATOM 5959 C PHE C 145 -38.414 43.254 45.328 1.00 29.87 C +ATOM 5960 O PHE C 145 -38.240 42.626 44.299 1.00 28.22 O +ATOM 5961 CB PHE C 145 -37.899 45.439 44.242 1.00 30.95 C +ATOM 5962 CG PHE C 145 -37.169 46.766 44.288 1.00 42.33 C +ATOM 5963 CD1 PHE C 145 -37.775 47.898 44.863 1.00 43.33 C +ATOM 5964 CD2 PHE C 145 -35.884 46.908 43.725 1.00 38.95 C +ATOM 5965 CE1 PHE C 145 -37.116 49.132 44.866 1.00 48.42 C +ATOM 5966 CE2 PHE C 145 -35.218 48.132 43.757 1.00 39.35 C +ATOM 5967 CZ PHE C 145 -35.829 49.239 44.334 1.00 42.64 C +ATOM 5968 N GLY C 146 -38.993 42.746 46.397 1.00 32.37 N +ATOM 5969 CA GLY C 146 -39.562 41.371 46.407 1.00 29.29 C +ATOM 5970 C GLY C 146 -38.407 40.394 46.216 1.00 30.25 C +ATOM 5971 O GLY C 146 -37.434 40.391 47.009 1.00 28.34 O +ATOM 5972 N ASP C 147 -38.510 39.610 45.126 1.00 27.82 N +ATOM 5973 CA ASP C 147 -37.539 38.589 44.848 1.00 26.33 C +ATOM 5974 C ASP C 147 -36.405 39.092 43.935 1.00 22.41 C +ATOM 5975 O ASP C 147 -35.523 38.245 43.664 1.00 24.81 O +ATOM 5976 CB ASP C 147 -38.187 37.363 44.177 1.00 26.81 C +ATOM 5977 CG ASP C 147 -38.939 36.478 45.147 1.00 35.31 C +ATOM 5978 OD1 ASP C 147 -38.434 36.316 46.262 1.00 35.48 O +ATOM 5979 OD2 ASP C 147 -39.914 35.739 44.723 1.00 32.38 O +ATOM 5980 N LEU C 148 -36.423 40.357 43.575 1.00 24.71 N +ATOM 5981 CA LEU C 148 -35.405 40.956 42.743 1.00 26.97 C +ATOM 5982 C LEU C 148 -34.379 41.757 43.583 1.00 23.26 C +ATOM 5983 O LEU C 148 -34.721 42.689 44.258 1.00 23.43 O +ATOM 5984 CB LEU C 148 -36.006 41.864 41.729 1.00 24.78 C +ATOM 5985 CG LEU C 148 -35.067 42.568 40.716 1.00 25.78 C +ATOM 5986 CD1 LEU C 148 -34.324 41.546 39.894 1.00 26.28 C +ATOM 5987 CD2 LEU C 148 -35.779 43.579 39.841 1.00 28.27 C +ATOM 5988 N GLY C 149 -33.096 41.389 43.508 1.00 21.51 N +ATOM 5989 CA GLY C 149 -32.059 42.269 44.083 1.00 19.50 C +ATOM 5990 C GLY C 149 -31.235 42.914 43.007 1.00 18.62 C +ATOM 5991 O GLY C 149 -30.820 42.270 42.028 1.00 19.87 O +ATOM 5992 N VAL C 150 -31.040 44.222 43.121 1.00 15.39 N +ATOM 5993 CA VAL C 150 -30.357 45.011 42.135 1.00 18.02 C +ATOM 5994 C VAL C 150 -29.224 45.781 42.851 1.00 17.73 C +ATOM 5995 O VAL C 150 -29.386 46.278 43.933 1.00 18.47 O +ATOM 5996 CB VAL C 150 -31.191 46.001 41.295 1.00 22.64 C +ATOM 5997 CG1 VAL C 150 -32.174 45.181 40.438 1.00 22.35 C +ATOM 5998 CG2 VAL C 150 -31.991 46.917 42.130 1.00 26.84 C +ATOM 5999 N LYS C 151 -28.103 45.897 42.157 1.00 16.70 N +ATOM 6000 CA LYS C 151 -27.034 46.769 42.581 1.00 17.12 C +ATOM 6001 C LYS C 151 -26.442 47.514 41.409 1.00 15.68 C +ATOM 6002 O LYS C 151 -26.455 47.075 40.240 1.00 15.69 O +ATOM 6003 CB LYS C 151 -25.953 45.939 43.280 1.00 17.31 C +ATOM 6004 CG LYS C 151 -26.372 45.249 44.522 1.00 18.38 C +ATOM 6005 CD LYS C 151 -25.198 44.670 45.320 1.00 20.78 C +ATOM 6006 CE LYS C 151 -24.273 45.675 45.951 1.00 25.74 C +ATOM 6007 NZ LYS C 151 -23.392 44.968 46.983 1.00 27.82 N +ATOM 6008 N ALA C 152 -25.861 48.676 41.709 1.00 17.05 N +ATOM 6009 CA ALA C 152 -25.251 49.484 40.712 1.00 16.61 C +ATOM 6010 C ALA C 152 -24.157 50.333 41.364 1.00 16.99 C +ATOM 6011 O ALA C 152 -24.230 50.628 42.549 1.00 21.52 O +ATOM 6012 CB ALA C 152 -26.239 50.359 39.906 1.00 18.29 C +ATOM 6013 N SER C 153 -23.124 50.671 40.659 1.00 14.96 N +ATOM 6014 CA SER C 153 -22.167 51.629 41.170 1.00 14.37 C +ATOM 6015 C SER C 153 -21.597 52.476 40.041 1.00 15.80 C +ATOM 6016 O SER C 153 -21.612 52.075 38.874 1.00 15.97 O +ATOM 6017 CB SER C 153 -21.062 50.896 41.950 1.00 14.56 C +ATOM 6018 OG SER C 153 -20.130 50.308 41.071 1.00 15.42 O +ATOM 6019 N TYR C 154 -21.111 53.656 40.379 1.00 15.41 N +ATOM 6020 CA TYR C 154 -20.486 54.557 39.435 1.00 15.65 C +ATOM 6021 C TYR C 154 -19.293 55.130 40.180 1.00 15.54 C +ATOM 6022 O TYR C 154 -19.510 55.706 41.257 1.00 14.82 O +ATOM 6023 CB TYR C 154 -21.410 55.726 39.030 1.00 18.30 C +ATOM 6024 CG TYR C 154 -20.661 56.683 38.130 1.00 21.76 C +ATOM 6025 CD1 TYR C 154 -20.431 56.375 36.813 1.00 29.32 C +ATOM 6026 CD2 TYR C 154 -20.040 57.824 38.655 1.00 25.44 C +ATOM 6027 CE1 TYR C 154 -19.659 57.225 36.021 1.00 30.48 C +ATOM 6028 CE2 TYR C 154 -19.247 58.658 37.866 1.00 28.56 C +ATOM 6029 CZ TYR C 154 -19.077 58.341 36.567 1.00 31.53 C +ATOM 6030 OH TYR C 154 -18.247 59.156 35.808 1.00 37.77 O +ATOM 6031 N ARG C 155 -18.139 55.009 39.584 1.00 15.68 N +ATOM 6032 CA ARG C 155 -16.941 55.573 40.154 1.00 15.26 C +ATOM 6033 C ARG C 155 -16.469 56.754 39.335 1.00 16.33 C +ATOM 6034 O ARG C 155 -16.372 56.677 38.121 1.00 17.31 O +ATOM 6035 CB ARG C 155 -15.848 54.514 40.120 1.00 20.26 C +ATOM 6036 CG ARG C 155 -14.559 54.921 40.731 1.00 20.67 C +ATOM 6037 CD ARG C 155 -13.503 53.834 40.768 1.00 17.34 C +ATOM 6038 NE ARG C 155 -12.687 54.285 41.831 1.00 16.37 N +ATOM 6039 CZ ARG C 155 -11.714 55.171 41.794 1.00 14.89 C +ATOM 6040 NH1 ARG C 155 -11.212 55.595 40.635 1.00 15.37 N +ATOM 6041 NH2 ARG C 155 -11.102 55.561 42.900 1.00 14.64 N +ATOM 6042 N PHE C 156 -16.046 57.813 40.025 1.00 14.02 N +ATOM 6043 CA PHE C 156 -15.424 58.952 39.356 1.00 15.87 C +ATOM 6044 C PHE C 156 -13.955 58.717 39.158 1.00 16.60 C +ATOM 6045 O PHE C 156 -13.319 58.015 39.945 1.00 15.70 O +ATOM 6046 CB PHE C 156 -15.558 60.183 40.281 1.00 18.17 C +ATOM 6047 CG PHE C 156 -16.946 60.572 40.568 1.00 17.78 C +ATOM 6048 CD1 PHE C 156 -17.635 61.401 39.688 1.00 23.73 C +ATOM 6049 CD2 PHE C 156 -17.627 60.162 41.708 1.00 19.15 C +ATOM 6050 CE1 PHE C 156 -18.966 61.742 39.945 1.00 26.11 C +ATOM 6051 CE2 PHE C 156 -18.937 60.483 41.940 1.00 21.16 C +ATOM 6052 CZ PHE C 156 -19.620 61.291 41.089 1.00 25.17 C +ATOM 6053 N ALA C 157 -13.386 59.300 38.094 1.00 15.22 N +ATOM 6054 CA ALA C 157 -11.942 59.324 37.964 1.00 16.17 C +ATOM 6055 C ALA C 157 -11.306 60.130 39.113 1.00 15.03 C +ATOM 6056 O ALA C 157 -11.937 61.105 39.527 1.00 17.09 O +ATOM 6057 CB ALA C 157 -11.506 59.884 36.599 1.00 17.32 C +ATOM 6058 N ASP C 158 -10.135 59.776 39.561 1.00 15.20 N +ATOM 6059 CA ASP C 158 -9.526 60.496 40.670 1.00 15.33 C +ATOM 6060 C ASP C 158 -8.794 61.741 40.183 1.00 16.89 C +ATOM 6061 O ASP C 158 -7.858 61.598 39.386 1.00 16.59 O +ATOM 6062 CB ASP C 158 -8.553 59.585 41.366 1.00 16.18 C +ATOM 6063 CG ASP C 158 -9.221 58.339 41.871 1.00 17.13 C +ATOM 6064 OD1 ASP C 158 -10.042 58.431 42.861 1.00 16.11 O +ATOM 6065 OD2 ASP C 158 -9.037 57.270 41.215 1.00 17.21 O +ATOM 6066 N ARG C 159 -9.119 62.903 40.749 1.00 16.20 N +ATOM 6067 CA ARG C 159 -8.339 64.094 40.506 1.00 15.31 C +ATOM 6068 C ARG C 159 -6.868 63.933 40.917 1.00 16.97 C +ATOM 6069 O ARG C 159 -6.543 63.311 41.930 1.00 17.53 O +ATOM 6070 CB ARG C 159 -8.953 65.310 41.284 1.00 17.52 C +ATOM 6071 CG ARG C 159 -8.294 66.639 40.958 1.00 18.15 C +ATOM 6072 CD ARG C 159 -9.045 67.770 41.671 1.00 18.91 C +ATOM 6073 NE ARG C 159 -8.840 67.766 43.134 1.00 17.49 N +ATOM 6074 CZ ARG C 159 -9.812 67.822 44.038 1.00 16.43 C +ATOM 6075 NH1 ARG C 159 -11.034 67.708 43.726 1.00 17.04 N +ATOM 6076 NH2 ARG C 159 -9.472 67.916 45.304 1.00 17.98 N +ATOM 6077 N ASN C 160 -5.968 64.525 40.121 1.00 15.99 N +ATOM 6078 CA ASN C 160 -4.577 64.635 40.457 1.00 17.40 C +ATOM 6079 C ASN C 160 -4.074 66.015 40.025 1.00 17.69 C +ATOM 6080 O ASN C 160 -4.751 66.731 39.340 1.00 18.90 O +ATOM 6081 CB ASN C 160 -3.679 63.542 39.865 1.00 19.80 C +ATOM 6082 CG ASN C 160 -3.729 63.444 38.397 1.00 23.53 C +ATOM 6083 OD1 ASN C 160 -4.148 64.362 37.701 1.00 24.47 O +ATOM 6084 ND2 ASN C 160 -3.452 62.193 37.899 1.00 33.25 N +ATOM 6085 N ALA C 161 -2.960 66.368 40.573 1.00 18.75 N +ATOM 6086 CA ALA C 161 -2.280 67.626 40.278 1.00 19.12 C +ATOM 6087 C ALA C 161 -1.040 67.256 39.417 1.00 19.13 C +ATOM 6088 O ALA C 161 -0.257 66.417 39.776 1.00 24.75 O +ATOM 6089 CB ALA C 161 -1.850 68.299 41.575 1.00 21.35 C +ATOM 6090 N VAL C 162 -0.939 67.898 38.297 1.00 19.86 N +ATOM 6091 CA VAL C 162 0.118 67.591 37.337 1.00 21.22 C +ATOM 6092 C VAL C 162 0.933 68.824 36.879 1.00 22.57 C +ATOM 6093 O VAL C 162 0.404 69.924 36.853 1.00 24.83 O +ATOM 6094 CB VAL C 162 -0.479 66.874 36.090 1.00 19.89 C +ATOM 6095 CG1 VAL C 162 -1.112 65.521 36.494 1.00 23.36 C +ATOM 6096 CG2 VAL C 162 -1.404 67.711 35.320 1.00 20.34 C +ATOM 6097 N ASP C 163 2.149 68.535 36.378 1.00 25.77 N +ATOM 6098 CA ASP C 163 3.018 69.567 35.742 1.00 27.44 C +ATOM 6099 C ASP C 163 2.633 69.738 34.280 1.00 30.09 C +ATOM 6100 O ASP C 163 1.574 69.208 33.774 1.00 28.68 O +ATOM 6101 CB ASP C 163 4.502 69.240 35.954 1.00 29.42 C +ATOM 6102 CG ASP C 163 4.990 68.061 35.146 1.00 32.41 C +ATOM 6103 OD1 ASP C 163 4.293 67.591 34.187 1.00 33.18 O +ATOM 6104 OD2 ASP C 163 6.073 67.565 35.503 1.00 32.82 O +ATOM 6105 N ALA C 164 3.390 70.589 33.599 1.00 28.44 N +ATOM 6106 CA ALA C 164 3.034 70.958 32.231 1.00 33.83 C +ATOM 6107 C ALA C 164 3.096 69.783 31.230 1.00 30.19 C +ATOM 6108 O ALA C 164 2.518 69.886 30.185 1.00 34.76 O +ATOM 6109 CB ALA C 164 3.945 72.108 31.751 1.00 37.54 C +ATOM 6110 N MET C 165 3.776 68.709 31.581 1.00 31.20 N +ATOM 6111 CA MET C 165 3.868 67.478 30.816 1.00 32.97 C +ATOM 6112 C MET C 165 2.949 66.368 31.321 1.00 31.88 C +ATOM 6113 O MET C 165 3.071 65.208 30.893 1.00 32.38 O +ATOM 6114 CB MET C 165 5.294 66.960 30.959 1.00 42.55 C +ATOM 6115 CG MET C 165 6.351 67.849 30.297 1.00 51.57 C +ATOM 6116 SD MET C 165 7.017 67.033 28.818 1.00 64.93 S +ATOM 6117 CE MET C 165 7.803 65.556 29.547 1.00 59.80 C +ATOM 6118 N GLY C 166 2.045 66.695 32.265 1.00 24.66 N +ATOM 6119 CA GLY C 166 1.163 65.628 32.822 1.00 24.55 C +ATOM 6120 C GLY C 166 1.699 64.700 33.862 1.00 24.40 C +ATOM 6121 O GLY C 166 1.016 63.773 34.347 1.00 26.32 O +ATOM 6122 N ASN C 167 2.912 64.922 34.344 1.00 25.97 N +ATOM 6123 CA ASN C 167 3.458 64.103 35.405 1.00 28.08 C +ATOM 6124 C ASN C 167 2.788 64.521 36.714 1.00 28.52 C +ATOM 6125 O ASN C 167 2.629 65.732 36.954 1.00 24.41 O +ATOM 6126 CB ASN C 167 4.970 64.327 35.595 1.00 32.91 C +ATOM 6127 CG ASN C 167 5.767 63.988 34.351 1.00 36.37 C +ATOM 6128 OD1 ASN C 167 5.742 62.861 33.868 1.00 35.82 O +ATOM 6129 ND2 ASN C 167 6.479 64.965 33.845 1.00 34.00 N +ATOM 6130 N VAL C 168 2.404 63.556 37.544 1.00 30.56 N +ATOM 6131 CA VAL C 168 1.732 63.831 38.812 1.00 29.38 C +ATOM 6132 C VAL C 168 2.732 64.440 39.768 1.00 32.37 C +ATOM 6133 O VAL C 168 3.795 63.888 39.970 1.00 30.35 O +ATOM 6134 CB VAL C 168 1.121 62.544 39.407 1.00 34.44 C +ATOM 6135 CG1 VAL C 168 0.567 62.745 40.816 1.00 32.84 C +ATOM 6136 CG2 VAL C 168 0.046 61.980 38.465 1.00 33.71 C +ATOM 6137 N VAL C 169 2.405 65.575 40.361 1.00 30.17 N +ATOM 6138 CA VAL C 169 3.369 66.237 41.277 1.00 29.19 C +ATOM 6139 C VAL C 169 2.594 66.768 42.489 1.00 29.61 C +ATOM 6140 O VAL C 169 1.369 66.657 42.532 1.00 31.99 O +ATOM 6141 CB VAL C 169 4.130 67.371 40.577 1.00 31.96 C +ATOM 6142 CG1 VAL C 169 5.108 66.846 39.504 1.00 31.06 C +ATOM 6143 CG2 VAL C 169 3.139 68.377 40.025 1.00 32.18 C +ATOM 6144 N THR C 170 3.273 67.434 43.432 1.00 32.02 N +ATOM 6145 CA THR C 170 2.557 68.037 44.557 1.00 33.49 C +ATOM 6146 C THR C 170 1.778 69.259 44.032 1.00 33.48 C +ATOM 6147 O THR C 170 2.134 69.858 43.012 1.00 35.88 O +ATOM 6148 CB THR C 170 3.539 68.555 45.628 1.00 33.68 C +ATOM 6149 OG1 THR C 170 4.398 69.554 45.012 1.00 38.18 O +ATOM 6150 CG2 THR C 170 4.330 67.445 46.146 1.00 38.00 C +ATOM 6151 N GLU C 171 0.758 69.656 44.761 1.00 36.10 N +ATOM 6152 CA GLU C 171 -0.071 70.773 44.359 1.00 41.35 C +ATOM 6153 C GLU C 171 0.724 72.026 44.206 1.00 43.55 C +ATOM 6154 O GLU C 171 0.444 72.786 43.287 1.00 41.10 O +ATOM 6155 CB GLU C 171 -1.224 70.980 45.328 1.00 43.97 C +ATOM 6156 CG GLU C 171 -2.022 69.712 45.616 1.00 46.52 C +ATOM 6157 CD GLU C 171 -3.516 69.860 45.442 1.00 45.46 C +ATOM 6158 OE1 GLU C 171 -3.962 70.991 45.414 1.00 45.85 O +ATOM 6159 OE2 GLU C 171 -4.241 68.833 45.304 1.00 52.53 O +ATOM 6160 N THR C 172 1.784 72.221 45.009 1.00 47.12 N +ATOM 6161 CA THR C 172 2.639 73.435 44.832 1.00 49.50 C +ATOM 6162 C THR C 172 3.462 73.409 43.533 1.00 46.45 C +ATOM 6163 O THR C 172 3.742 74.446 42.936 1.00 43.07 O +ATOM 6164 CB THR C 172 3.561 73.710 46.060 1.00 54.07 C +ATOM 6165 OG1 THR C 172 4.706 72.844 46.032 1.00 58.45 O +ATOM 6166 CG2 THR C 172 2.802 73.484 47.359 1.00 46.88 C +ATOM 6167 N ASN C 173 3.855 72.238 43.063 1.00 42.90 N +ATOM 6168 CA ASN C 173 4.585 72.176 41.785 1.00 43.73 C +ATOM 6169 C ASN C 173 3.677 72.044 40.564 1.00 40.71 C +ATOM 6170 O ASN C 173 4.199 71.920 39.424 1.00 41.96 O +ATOM 6171 CB ASN C 173 5.616 71.021 41.811 1.00 44.53 C +ATOM 6172 CG ASN C 173 6.735 71.260 42.792 1.00 50.30 C +ATOM 6173 OD1 ASN C 173 7.238 72.381 42.892 1.00 54.63 O +ATOM 6174 ND2 ASN C 173 7.117 70.220 43.546 1.00 49.31 N +ATOM 6175 N ALA C 174 2.343 72.047 40.753 1.00 34.27 N +ATOM 6176 CA ALA C 174 1.454 71.677 39.656 1.00 32.89 C +ATOM 6177 C ALA C 174 1.098 72.829 38.789 1.00 31.08 C +ATOM 6178 O ALA C 174 0.894 73.981 39.279 1.00 30.78 O +ATOM 6179 CB ALA C 174 0.167 71.045 40.165 1.00 28.72 C +ATOM 6180 N ALA C 175 0.954 72.512 37.489 1.00 26.95 N +ATOM 6181 CA ALA C 175 0.394 73.414 36.515 1.00 27.60 C +ATOM 6182 C ALA C 175 -1.087 73.423 36.471 1.00 26.04 C +ATOM 6183 O ALA C 175 -1.682 74.419 36.154 1.00 25.50 O +ATOM 6184 CB ALA C 175 0.889 73.082 35.110 1.00 31.71 C +ATOM 6185 N LYS C 176 -1.766 72.285 36.728 1.00 21.72 N +ATOM 6186 CA LYS C 176 -3.173 72.182 36.579 1.00 19.76 C +ATOM 6187 C LYS C 176 -3.662 70.863 37.293 1.00 17.14 C +ATOM 6188 O LYS C 176 -2.822 70.081 37.638 1.00 20.05 O +ATOM 6189 CB LYS C 176 -3.701 72.099 35.153 1.00 23.46 C +ATOM 6190 CG LYS C 176 -3.272 70.862 34.402 1.00 26.19 C +ATOM 6191 CD LYS C 176 -3.780 70.829 32.954 1.00 28.39 C +ATOM 6192 CE LYS C 176 -3.631 69.390 32.500 1.00 36.64 C +ATOM 6193 NZ LYS C 176 -3.911 69.154 31.055 1.00 42.68 N +ATOM 6194 N TYR C 177 -4.979 70.762 37.442 1.00 19.52 N +ATOM 6195 CA TYR C 177 -5.556 69.445 37.832 1.00 18.99 C +ATOM 6196 C TYR C 177 -5.871 68.638 36.606 1.00 20.95 C +ATOM 6197 O TYR C 177 -6.317 69.128 35.553 1.00 20.57 O +ATOM 6198 CB TYR C 177 -6.814 69.690 38.634 1.00 19.26 C +ATOM 6199 CG TYR C 177 -6.589 70.232 40.021 1.00 20.24 C +ATOM 6200 CD1 TYR C 177 -5.890 69.528 40.945 1.00 20.10 C +ATOM 6201 CD2 TYR C 177 -7.126 71.451 40.389 1.00 20.70 C +ATOM 6202 CE1 TYR C 177 -5.736 69.976 42.248 1.00 22.41 C +ATOM 6203 CE2 TYR C 177 -6.983 71.943 41.680 1.00 22.16 C +ATOM 6204 CZ TYR C 177 -6.328 71.191 42.629 1.00 24.02 C +ATOM 6205 OH TYR C 177 -6.103 71.655 43.913 1.00 25.22 O +ATOM 6206 N SER C 178 -5.657 67.330 36.738 1.00 18.77 N +ATOM 6207 CA SER C 178 -6.145 66.388 35.734 1.00 18.69 C +ATOM 6208 C SER C 178 -6.810 65.241 36.502 1.00 18.98 C +ATOM 6209 O SER C 178 -7.258 65.456 37.655 1.00 17.56 O +ATOM 6210 CB SER C 178 -4.928 65.882 34.966 1.00 22.89 C +ATOM 6211 OG SER C 178 -5.279 65.051 33.848 1.00 25.55 O +ATOM 6212 N ASP C 179 -6.942 64.107 35.860 1.00 17.68 N +ATOM 6213 CA ASP C 179 -7.440 62.916 36.578 1.00 18.94 C +ATOM 6214 C ASP C 179 -6.794 61.700 35.955 1.00 20.41 C +ATOM 6215 O ASP C 179 -6.048 61.799 34.974 1.00 20.65 O +ATOM 6216 CB ASP C 179 -8.954 62.846 36.558 1.00 20.03 C +ATOM 6217 CG ASP C 179 -9.564 62.578 35.130 1.00 23.36 C +ATOM 6218 OD1 ASP C 179 -9.223 61.615 34.440 1.00 21.68 O +ATOM 6219 OD2 ASP C 179 -10.410 63.363 34.721 1.00 31.86 O +ATOM 6220 N ASN C 180 -7.047 60.528 36.568 1.00 16.97 N +ATOM 6221 CA ASN C 180 -6.350 59.315 36.243 1.00 16.36 C +ATOM 6222 C ASN C 180 -7.184 58.465 35.247 1.00 15.81 C +ATOM 6223 O ASN C 180 -6.751 57.336 34.989 1.00 18.12 O +ATOM 6224 CB ASN C 180 -5.964 58.527 37.453 1.00 18.91 C +ATOM 6225 CG ASN C 180 -7.149 58.060 38.295 1.00 16.11 C +ATOM 6226 OD1 ASN C 180 -8.325 58.282 37.914 1.00 16.42 O +ATOM 6227 ND2 ASN C 180 -6.789 57.348 39.386 1.00 18.38 N +ATOM 6228 N GLY C 181 -8.302 58.979 34.775 1.00 17.42 N +ATOM 6229 CA GLY C 181 -9.144 58.201 33.839 1.00 20.02 C +ATOM 6230 C GLY C 181 -9.775 56.944 34.432 1.00 20.10 C +ATOM 6231 O GLY C 181 -10.238 56.097 33.678 1.00 20.76 O +ATOM 6232 N GLU C 182 -9.785 56.809 35.758 1.00 17.02 N +ATOM 6233 CA GLU C 182 -10.321 55.579 36.399 1.00 17.43 C +ATOM 6234 C GLU C 182 -11.791 55.689 36.768 1.00 17.53 C +ATOM 6235 O GLU C 182 -12.272 55.237 37.856 1.00 18.35 O +ATOM 6236 CB GLU C 182 -9.430 55.170 37.567 1.00 17.04 C +ATOM 6237 CG GLU C 182 -7.995 54.814 37.167 1.00 20.68 C +ATOM 6238 CD GLU C 182 -7.856 53.513 36.444 1.00 24.33 C +ATOM 6239 OE1 GLU C 182 -8.833 52.740 36.259 1.00 22.00 O +ATOM 6240 OE2 GLU C 182 -6.669 53.236 36.149 1.00 28.09 O +ATOM 6241 N ASP C 183 -12.589 56.254 35.871 1.00 16.56 N +ATOM 6242 CA ASP C 183 -14.023 56.212 36.020 1.00 17.06 C +ATOM 6243 C ASP C 183 -14.562 54.860 35.567 1.00 17.37 C +ATOM 6244 O ASP C 183 -13.920 54.184 34.789 1.00 19.92 O +ATOM 6245 CB ASP C 183 -14.767 57.311 35.293 1.00 20.56 C +ATOM 6246 CG ASP C 183 -14.415 57.404 33.814 1.00 27.53 C +ATOM 6247 OD1 ASP C 183 -13.284 57.289 33.449 1.00 27.04 O +ATOM 6248 OD2 ASP C 183 -15.313 57.686 33.055 1.00 37.42 O +ATOM 6249 N GLY C 184 -15.705 54.509 36.064 1.00 15.74 N +ATOM 6250 CA GLY C 184 -16.344 53.230 35.661 1.00 15.70 C +ATOM 6251 C GLY C 184 -17.664 53.019 36.261 1.00 14.76 C +ATOM 6252 O GLY C 184 -18.166 53.867 36.993 1.00 16.05 O +ATOM 6253 N TYR C 185 -18.300 51.894 35.924 1.00 14.17 N +ATOM 6254 CA TYR C 185 -19.550 51.533 36.505 1.00 14.91 C +ATOM 6255 C TYR C 185 -19.744 50.011 36.573 1.00 13.55 C +ATOM 6256 O TYR C 185 -19.027 49.249 35.933 1.00 13.66 O +ATOM 6257 CB TYR C 185 -20.745 52.135 35.735 1.00 15.55 C +ATOM 6258 CG TYR C 185 -20.873 51.541 34.331 1.00 17.26 C +ATOM 6259 CD1 TYR C 185 -20.123 52.012 33.295 1.00 19.52 C +ATOM 6260 CD2 TYR C 185 -21.774 50.518 34.092 1.00 18.62 C +ATOM 6261 CE1 TYR C 185 -20.283 51.479 31.996 1.00 20.28 C +ATOM 6262 CE2 TYR C 185 -21.913 49.937 32.805 1.00 22.13 C +ATOM 6263 CZ TYR C 185 -21.164 50.456 31.791 1.00 24.76 C +ATOM 6264 OH TYR C 185 -21.265 49.923 30.501 1.00 27.61 O +ATOM 6265 N SER C 186 -20.674 49.630 37.431 1.00 13.79 N +ATOM 6266 CA SER C 186 -21.080 48.246 37.521 1.00 13.94 C +ATOM 6267 C SER C 186 -22.552 48.106 37.787 1.00 14.41 C +ATOM 6268 O SER C 186 -23.163 49.044 38.279 1.00 15.47 O +ATOM 6269 CB SER C 186 -20.308 47.466 38.629 1.00 13.13 C +ATOM 6270 OG SER C 186 -20.722 47.869 39.939 1.00 14.04 O +ATOM 6271 N LEU C 187 -23.118 46.969 37.390 1.00 14.81 N +ATOM 6272 CA LEU C 187 -24.517 46.722 37.555 1.00 17.02 C +ATOM 6273 C LEU C 187 -24.743 45.248 37.718 1.00 14.49 C +ATOM 6274 O LEU C 187 -24.032 44.432 37.126 1.00 16.33 O +ATOM 6275 CB LEU C 187 -25.274 47.112 36.223 1.00 22.72 C +ATOM 6276 CG LEU C 187 -25.069 48.418 35.536 1.00 31.46 C +ATOM 6277 CD1 LEU C 187 -25.308 48.211 34.027 1.00 30.90 C +ATOM 6278 CD2 LEU C 187 -26.021 49.426 36.103 1.00 37.48 C +ATOM 6279 N SER C 188 -25.709 44.869 38.511 1.00 14.18 N +ATOM 6280 CA SER C 188 -26.102 43.488 38.671 1.00 15.93 C +ATOM 6281 C SER C 188 -27.533 43.288 39.088 1.00 15.31 C +ATOM 6282 O SER C 188 -28.133 44.183 39.676 1.00 15.82 O +ATOM 6283 CB SER C 188 -25.235 42.696 39.698 1.00 16.48 C +ATOM 6284 OG SER C 188 -25.439 43.111 41.064 1.00 15.69 O +ATOM 6285 N ALA C 189 -28.056 42.101 38.797 1.00 17.08 N +ATOM 6286 CA ALA C 189 -29.429 41.675 39.232 1.00 17.62 C +ATOM 6287 C ALA C 189 -29.448 40.216 39.579 1.00 15.10 C +ATOM 6288 O ALA C 189 -28.734 39.421 38.920 1.00 17.58 O +ATOM 6289 CB ALA C 189 -30.419 41.960 38.115 1.00 21.57 C +ATOM 6290 N ILE C 190 -30.131 39.897 40.690 1.00 16.25 N +ATOM 6291 CA ILE C 190 -30.312 38.567 41.174 1.00 16.91 C +ATOM 6292 C ILE C 190 -31.844 38.341 41.331 1.00 19.76 C +ATOM 6293 O ILE C 190 -32.495 39.157 41.938 1.00 19.25 O +ATOM 6294 CB ILE C 190 -29.715 38.350 42.553 1.00 18.59 C +ATOM 6295 CG1 ILE C 190 -28.187 38.391 42.380 1.00 20.28 C +ATOM 6296 CG2 ILE C 190 -30.093 36.978 43.033 1.00 20.00 C +ATOM 6297 CD1 ILE C 190 -27.464 38.372 43.708 1.00 19.08 C +ATOM 6298 N TYR C 191 -32.345 37.249 40.740 1.00 19.69 N +ATOM 6299 CA TYR C 191 -33.770 36.875 40.943 1.00 22.73 C +ATOM 6300 C TYR C 191 -33.803 35.624 41.752 1.00 20.66 C +ATOM 6301 O TYR C 191 -33.134 34.591 41.418 1.00 21.19 O +ATOM 6302 CB TYR C 191 -34.496 36.665 39.656 1.00 23.73 C +ATOM 6303 CG TYR C 191 -36.040 36.786 39.922 1.00 29.51 C +ATOM 6304 CD1 TYR C 191 -36.626 38.038 39.846 1.00 33.41 C +ATOM 6305 CD2 TYR C 191 -36.839 35.689 40.181 1.00 32.75 C +ATOM 6306 CE1 TYR C 191 -37.989 38.219 40.054 1.00 38.23 C +ATOM 6307 CE2 TYR C 191 -38.228 35.847 40.420 1.00 30.64 C +ATOM 6308 CZ TYR C 191 -38.776 37.123 40.295 1.00 37.55 C +ATOM 6309 OH TYR C 191 -40.128 37.450 40.499 1.00 38.08 O +ATOM 6310 N THR C 192 -34.461 35.689 42.928 1.00 20.00 N +ATOM 6311 CA THR C 192 -34.627 34.541 43.739 1.00 22.34 C +ATOM 6312 C THR C 192 -36.023 33.948 43.473 1.00 23.35 C +ATOM 6313 O THR C 192 -36.992 34.694 43.552 1.00 25.10 O +ATOM 6314 CB THR C 192 -34.538 34.896 45.219 1.00 27.81 C +ATOM 6315 OG1 THR C 192 -33.253 35.470 45.457 1.00 29.54 O +ATOM 6316 CG2 THR C 192 -34.709 33.656 46.141 1.00 28.65 C +ATOM 6317 N PHE C 193 -36.068 32.663 43.129 1.00 23.59 N +ATOM 6318 CA PHE C 193 -37.372 32.081 42.668 1.00 25.13 C +ATOM 6319 C PHE C 193 -38.116 31.624 43.916 1.00 22.66 C +ATOM 6320 O PHE C 193 -38.349 30.436 44.103 1.00 23.35 O +ATOM 6321 CB PHE C 193 -37.133 31.048 41.606 1.00 23.65 C +ATOM 6322 CG PHE C 193 -36.748 31.647 40.296 1.00 26.60 C +ATOM 6323 CD1 PHE C 193 -37.683 32.141 39.414 1.00 29.17 C +ATOM 6324 CD2 PHE C 193 -35.388 31.774 39.934 1.00 25.41 C +ATOM 6325 CE1 PHE C 193 -37.348 32.737 38.201 1.00 31.70 C +ATOM 6326 CE2 PHE C 193 -35.043 32.308 38.711 1.00 26.62 C +ATOM 6327 CZ PHE C 193 -35.996 32.830 37.842 1.00 36.48 C +ATOM 6328 N GLY C 194 -38.508 32.612 44.729 1.00 26.34 N +ATOM 6329 CA GLY C 194 -39.166 32.352 46.037 1.00 29.57 C +ATOM 6330 C GLY C 194 -38.621 31.156 46.787 1.00 28.21 C +ATOM 6331 O GLY C 194 -37.427 31.056 46.957 1.00 35.58 O +ATOM 6332 N ASP C 195 -39.459 30.180 47.227 1.00 26.55 N +ATOM 6333 CA ASP C 195 -39.059 28.987 47.952 1.00 28.25 C +ATOM 6334 C ASP C 195 -38.679 27.783 47.147 1.00 25.73 C +ATOM 6335 O ASP C 195 -38.537 26.654 47.683 1.00 27.66 O +ATOM 6336 CB ASP C 195 -40.174 28.585 48.931 1.00 30.29 C +ATOM 6337 CG ASP C 195 -41.434 28.064 48.196 1.00 33.38 C +ATOM 6338 OD1 ASP C 195 -41.397 27.853 46.956 1.00 29.35 O +ATOM 6339 OD2 ASP C 195 -42.475 27.834 48.867 1.00 37.00 O +ATOM 6340 N THR C 196 -38.531 27.902 45.821 1.00 24.63 N +ATOM 6341 CA THR C 196 -38.162 26.790 44.992 1.00 22.51 C +ATOM 6342 C THR C 196 -36.746 26.238 45.176 1.00 24.87 C +ATOM 6343 O THR C 196 -36.439 25.124 44.778 1.00 25.85 O +ATOM 6344 CB THR C 196 -38.333 27.076 43.511 1.00 26.46 C +ATOM 6345 OG1 THR C 196 -37.437 28.105 43.049 1.00 23.51 O +ATOM 6346 CG2 THR C 196 -39.788 27.487 43.238 1.00 27.24 C +ATOM 6347 N GLY C 197 -35.915 27.120 45.714 1.00 25.78 N +ATOM 6348 CA GLY C 197 -34.471 26.876 45.856 1.00 27.11 C +ATOM 6349 C GLY C 197 -33.610 27.447 44.753 1.00 25.46 C +ATOM 6350 O GLY C 197 -32.396 27.529 44.890 1.00 23.51 O +ATOM 6351 N PHE C 198 -34.197 27.908 43.655 1.00 20.69 N +ATOM 6352 CA PHE C 198 -33.429 28.404 42.523 1.00 22.31 C +ATOM 6353 C PHE C 198 -33.153 29.883 42.613 1.00 20.49 C +ATOM 6354 O PHE C 198 -33.969 30.708 43.079 1.00 21.09 O +ATOM 6355 CB PHE C 198 -34.141 28.139 41.198 1.00 22.37 C +ATOM 6356 CG PHE C 198 -34.173 26.714 40.823 1.00 27.21 C +ATOM 6357 CD1 PHE C 198 -33.073 26.113 40.198 1.00 29.23 C +ATOM 6358 CD2 PHE C 198 -35.339 25.949 41.029 1.00 29.53 C +ATOM 6359 CE1 PHE C 198 -33.089 24.773 39.821 1.00 33.67 C +ATOM 6360 CE2 PHE C 198 -35.357 24.594 40.667 1.00 30.86 C +ATOM 6361 CZ PHE C 198 -34.234 24.005 40.051 1.00 32.53 C +ATOM 6362 N ASN C 199 -31.955 30.288 42.119 1.00 18.78 N +ATOM 6363 CA ASN C 199 -31.555 31.731 42.038 1.00 18.29 C +ATOM 6364 C ASN C 199 -30.814 31.890 40.747 1.00 17.58 C +ATOM 6365 O ASN C 199 -30.082 30.955 40.314 1.00 17.89 O +ATOM 6366 CB ASN C 199 -30.614 32.198 43.216 1.00 20.53 C +ATOM 6367 CG ASN C 199 -31.352 32.548 44.474 1.00 26.89 C +ATOM 6368 OD1 ASN C 199 -31.792 33.706 44.675 1.00 39.91 O +ATOM 6369 ND2 ASN C 199 -31.384 31.648 45.351 1.00 31.25 N +ATOM 6370 N VAL C 200 -30.964 33.014 40.124 1.00 16.74 N +ATOM 6371 CA AVAL C 200 -30.162 33.372 38.967 0.50 16.71 C +ATOM 6372 CA BVAL C 200 -30.204 33.374 38.934 0.50 17.96 C +ATOM 6373 C VAL C 200 -29.624 34.778 39.134 1.00 18.48 C +ATOM 6374 O VAL C 200 -30.236 35.582 39.786 1.00 18.98 O +ATOM 6375 CB AVAL C 200 -30.986 33.255 37.677 0.50 16.04 C +ATOM 6376 CB BVAL C 200 -31.126 33.265 37.691 0.50 18.97 C +ATOM 6377 CG1AVAL C 200 -32.066 34.330 37.615 0.50 13.90 C +ATOM 6378 CG1BVAL C 200 -30.632 34.114 36.552 0.50 22.53 C +ATOM 6379 CG2AVAL C 200 -30.043 33.170 36.494 0.50 17.25 C +ATOM 6380 CG2BVAL C 200 -31.259 31.787 37.283 0.50 16.63 C +ATOM 6381 N GLY C 201 -28.463 35.049 38.531 1.00 15.95 N +ATOM 6382 CA GLY C 201 -27.847 36.351 38.661 1.00 15.83 C +ATOM 6383 C GLY C 201 -26.998 36.706 37.438 1.00 15.55 C +ATOM 6384 O GLY C 201 -26.494 35.798 36.748 1.00 16.90 O +ATOM 6385 N ALA C 202 -26.836 38.010 37.167 1.00 15.88 N +ATOM 6386 CA ALA C 202 -25.941 38.466 36.110 1.00 16.22 C +ATOM 6387 C ALA C 202 -25.492 39.852 36.459 1.00 15.69 C +ATOM 6388 O ALA C 202 -26.137 40.583 37.195 1.00 16.12 O +ATOM 6389 CB ALA C 202 -26.656 38.449 34.770 1.00 19.44 C +ATOM 6390 N GLY C 203 -24.412 40.239 35.839 1.00 16.09 N +ATOM 6391 CA GLY C 203 -23.931 41.591 35.992 1.00 16.70 C +ATOM 6392 C GLY C 203 -22.924 41.966 34.984 1.00 14.74 C +ATOM 6393 O GLY C 203 -22.439 41.117 34.204 1.00 16.37 O +ATOM 6394 N TYR C 204 -22.546 43.252 34.990 1.00 14.39 N +ATOM 6395 CA TYR C 204 -21.608 43.809 34.091 1.00 14.79 C +ATOM 6396 C TYR C 204 -20.795 44.953 34.794 1.00 15.26 C +ATOM 6397 O TYR C 204 -21.336 45.658 35.612 1.00 14.62 O +ATOM 6398 CB TYR C 204 -22.317 44.387 32.828 1.00 16.76 C +ATOM 6399 CG TYR C 204 -21.377 44.884 31.764 1.00 16.08 C +ATOM 6400 CD1 TYR C 204 -20.683 44.040 30.978 1.00 19.80 C +ATOM 6401 CD2 TYR C 204 -21.161 46.237 31.609 1.00 19.16 C +ATOM 6402 CE1 TYR C 204 -19.786 44.458 30.040 1.00 21.83 C +ATOM 6403 CE2 TYR C 204 -20.268 46.678 30.665 1.00 18.92 C +ATOM 6404 CZ TYR C 204 -19.601 45.802 29.904 1.00 21.31 C +ATOM 6405 OH TYR C 204 -18.731 46.278 28.973 1.00 30.79 O +ATOM 6406 N ALA C 205 -19.556 45.146 34.330 1.00 14.79 N +ATOM 6407 CA ALA C 205 -18.799 46.256 34.754 1.00 14.68 C +ATOM 6408 C ALA C 205 -17.819 46.694 33.709 1.00 15.47 C +ATOM 6409 O ALA C 205 -17.286 45.891 32.931 1.00 15.32 O +ATOM 6410 CB ALA C 205 -18.072 45.845 36.095 1.00 16.49 C +ATOM 6411 N ASP C 206 -17.410 47.952 33.823 1.00 15.10 N +ATOM 6412 CA ASP C 206 -16.517 48.582 32.897 1.00 16.85 C +ATOM 6413 C ASP C 206 -15.755 49.697 33.584 1.00 16.43 C +ATOM 6414 O ASP C 206 -16.342 50.524 34.251 1.00 16.94 O +ATOM 6415 CB ASP C 206 -17.270 49.160 31.680 1.00 19.52 C +ATOM 6416 CG ASP C 206 -16.278 49.889 30.656 1.00 23.74 C +ATOM 6417 OD1 ASP C 206 -15.872 51.049 30.814 1.00 28.63 O +ATOM 6418 OD2 ASP C 206 -15.701 49.202 29.815 1.00 28.88 O +ATOM 6419 N GLN C 207 -14.457 49.672 33.438 1.00 17.08 N +ATOM 6420 CA GLN C 207 -13.539 50.701 34.023 1.00 16.99 C +ATOM 6421 C GLN C 207 -12.270 50.794 33.172 1.00 17.85 C +ATOM 6422 O GLN C 207 -11.472 49.882 33.098 1.00 18.26 O +ATOM 6423 CB GLN C 207 -13.186 50.380 35.476 1.00 15.59 C +ATOM 6424 CG GLN C 207 -12.352 51.405 36.110 1.00 16.07 C +ATOM 6425 CD GLN C 207 -11.975 51.090 37.565 1.00 16.73 C +ATOM 6426 OE1 GLN C 207 -12.645 50.253 38.176 1.00 17.78 O +ATOM 6427 NE2 GLN C 207 -10.845 51.620 38.019 1.00 16.89 N +ATOM 6428 N ASP C 208 -12.108 51.953 32.540 1.00 20.05 N +ATOM 6429 CA ASP C 208 -10.920 52.236 31.683 1.00 23.75 C +ATOM 6430 C ASP C 208 -10.698 51.114 30.655 1.00 23.48 C +ATOM 6431 O ASP C 208 -11.575 50.863 29.875 1.00 25.33 O +ATOM 6432 CB ASP C 208 -9.731 52.539 32.558 1.00 25.72 C +ATOM 6433 CG ASP C 208 -8.574 53.171 31.750 1.00 34.26 C +ATOM 6434 OD1 ASP C 208 -8.902 53.810 30.744 1.00 39.82 O +ATOM 6435 OD2 ASP C 208 -7.412 52.983 32.096 1.00 37.06 O +ATOM 6436 N ASP C 209 -9.584 50.398 30.714 1.00 25.32 N +ATOM 6437 CA ASP C 209 -9.287 49.354 29.732 1.00 27.18 C +ATOM 6438 C ASP C 209 -9.805 47.982 30.185 1.00 23.34 C +ATOM 6439 O ASP C 209 -9.432 46.979 29.640 1.00 25.18 O +ATOM 6440 CB ASP C 209 -7.767 49.296 29.514 1.00 30.50 C +ATOM 6441 CG ASP C 209 -7.019 49.012 30.775 1.00 39.29 C +ATOM 6442 OD1 ASP C 209 -7.492 49.432 31.886 1.00 49.64 O +ATOM 6443 OD2 ASP C 209 -5.966 48.352 30.707 1.00 48.01 O +ATOM 6444 N GLN C 210 -10.695 47.919 31.189 1.00 21.96 N +ATOM 6445 CA GLN C 210 -11.163 46.627 31.716 1.00 20.09 C +ATOM 6446 C GLN C 210 -12.693 46.555 31.635 1.00 17.60 C +ATOM 6447 O GLN C 210 -13.377 47.561 31.767 1.00 17.42 O +ATOM 6448 CB GLN C 210 -10.808 46.484 33.196 1.00 22.03 C +ATOM 6449 CG GLN C 210 -9.308 46.506 33.477 1.00 25.36 C +ATOM 6450 CD GLN C 210 -8.955 46.055 34.902 1.00 28.95 C +ATOM 6451 OE1 GLN C 210 -9.566 46.529 35.838 1.00 24.93 O +ATOM 6452 NE2 GLN C 210 -7.973 45.149 35.042 1.00 31.47 N +ATOM 6453 N ASN C 211 -13.208 45.344 31.406 1.00 18.57 N +ATOM 6454 CA ASN C 211 -14.631 45.117 31.384 1.00 17.03 C +ATOM 6455 C ASN C 211 -14.931 43.659 31.593 1.00 15.53 C +ATOM 6456 O ASN C 211 -14.064 42.770 31.359 1.00 17.30 O +ATOM 6457 CB ASN C 211 -15.229 45.587 30.086 1.00 18.25 C +ATOM 6458 CG ASN C 211 -14.547 45.009 28.844 1.00 23.21 C +ATOM 6459 OD1 ASN C 211 -13.682 45.667 28.209 1.00 28.07 O +ATOM 6460 ND2 ASN C 211 -14.898 43.837 28.533 1.00 22.19 N +ATOM 6461 N GLU C 212 -16.109 43.366 32.089 1.00 16.35 N +ATOM 6462 CA GLU C 212 -16.522 41.964 32.275 1.00 16.07 C +ATOM 6463 C GLU C 212 -18.001 41.792 32.453 1.00 16.14 C +ATOM 6464 O GLU C 212 -18.660 42.696 32.970 1.00 16.43 O +ATOM 6465 CB GLU C 212 -15.764 41.315 33.446 1.00 15.01 C +ATOM 6466 CG GLU C 212 -16.121 42.086 34.728 1.00 15.03 C +ATOM 6467 CD GLU C 212 -15.393 41.577 35.966 1.00 15.26 C +ATOM 6468 OE1 GLU C 212 -14.894 40.404 35.980 1.00 16.36 O +ATOM 6469 OE2 GLU C 212 -15.331 42.345 36.957 1.00 14.78 O +ATOM 6470 N TYR C 213 -18.539 40.624 32.061 1.00 16.47 N +ATOM 6471 CA TYR C 213 -19.822 40.224 32.479 1.00 16.71 C +ATOM 6472 C TYR C 213 -19.740 38.915 33.257 1.00 16.69 C +ATOM 6473 O TYR C 213 -18.775 38.133 33.098 1.00 15.69 O +ATOM 6474 CB TYR C 213 -20.797 40.165 31.280 1.00 20.30 C +ATOM 6475 CG TYR C 213 -20.647 39.095 30.375 1.00 22.18 C +ATOM 6476 CD1 TYR C 213 -19.746 39.200 29.290 1.00 25.33 C +ATOM 6477 CD2 TYR C 213 -21.392 37.917 30.532 1.00 26.59 C +ATOM 6478 CE1 TYR C 213 -19.578 38.159 28.395 1.00 27.63 C +ATOM 6479 CE2 TYR C 213 -21.213 36.879 29.654 1.00 30.40 C +ATOM 6480 CZ TYR C 213 -20.319 37.028 28.569 1.00 30.23 C +ATOM 6481 OH TYR C 213 -20.139 36.005 27.692 1.00 34.73 O +ATOM 6482 N MET C 214 -20.737 38.679 34.082 1.00 14.93 N +ATOM 6483 CA MET C 214 -20.872 37.511 34.873 1.00 14.71 C +ATOM 6484 C MET C 214 -22.295 36.951 34.707 1.00 14.84 C +ATOM 6485 O MET C 214 -23.278 37.725 34.689 1.00 15.19 O +ATOM 6486 CB MET C 214 -20.560 37.745 36.362 1.00 14.58 C +ATOM 6487 CG MET C 214 -19.124 38.059 36.550 1.00 14.11 C +ATOM 6488 SD MET C 214 -18.825 38.207 38.338 1.00 16.06 S +ATOM 6489 CE MET C 214 -17.017 38.477 38.339 1.00 16.05 C +ATOM 6490 N LEU C 215 -22.397 35.649 34.723 1.00 15.41 N +ATOM 6491 CA LEU C 215 -23.661 34.938 34.808 1.00 17.47 C +ATOM 6492 C LEU C 215 -23.609 33.846 35.850 1.00 16.45 C +ATOM 6493 O LEU C 215 -22.557 33.155 35.911 1.00 16.67 O +ATOM 6494 CB LEU C 215 -23.893 34.336 33.423 1.00 19.05 C +ATOM 6495 CG LEU C 215 -23.991 35.171 32.142 1.00 24.01 C +ATOM 6496 CD1 LEU C 215 -24.082 34.243 30.910 1.00 27.15 C +ATOM 6497 CD2 LEU C 215 -25.199 36.146 32.231 1.00 25.06 C +ATOM 6498 N ALA C 216 -24.662 33.656 36.650 1.00 15.09 N +ATOM 6499 CA ALA C 216 -24.641 32.683 37.647 1.00 17.16 C +ATOM 6500 C ALA C 216 -25.965 32.011 37.899 1.00 16.56 C +ATOM 6501 O ALA C 216 -26.966 32.677 37.699 1.00 17.51 O +ATOM 6502 CB ALA C 216 -24.133 33.284 38.923 1.00 17.35 C +ATOM 6503 N ALA C 217 -25.947 30.834 38.453 1.00 16.57 N +ATOM 6504 CA ALA C 217 -27.173 30.181 38.926 1.00 17.42 C +ATOM 6505 C ALA C 217 -26.937 29.286 40.070 1.00 16.66 C +ATOM 6506 O ALA C 217 -25.832 28.691 40.178 1.00 16.04 O +ATOM 6507 CB ALA C 217 -27.769 29.382 37.736 1.00 19.06 C +ATOM 6508 N SER C 218 -27.905 29.086 40.933 1.00 16.17 N +ATOM 6509 CA SER C 218 -27.734 28.163 42.005 1.00 17.86 C +ATOM 6510 C SER C 218 -29.059 27.442 42.390 1.00 18.75 C +ATOM 6511 O SER C 218 -30.122 27.946 41.958 1.00 19.53 O +ATOM 6512 CB SER C 218 -27.264 28.885 43.272 1.00 18.63 C +ATOM 6513 OG SER C 218 -28.187 29.796 43.822 1.00 19.70 O +ATOM 6514 N TYR C 219 -28.914 26.363 43.113 1.00 19.96 N +ATOM 6515 CA TYR C 219 -30.045 25.586 43.704 1.00 21.14 C +ATOM 6516 C TYR C 219 -29.709 25.237 45.100 1.00 23.91 C +ATOM 6517 O TYR C 219 -28.630 24.668 45.395 1.00 20.17 O +ATOM 6518 CB TYR C 219 -30.264 24.366 42.808 1.00 22.43 C +ATOM 6519 CG TYR C 219 -31.343 23.486 43.393 1.00 24.91 C +ATOM 6520 CD1 TYR C 219 -32.652 23.932 43.345 1.00 29.91 C +ATOM 6521 CD2 TYR C 219 -31.051 22.267 44.044 1.00 28.80 C +ATOM 6522 CE1 TYR C 219 -33.684 23.151 43.889 1.00 31.55 C +ATOM 6523 CE2 TYR C 219 -32.089 21.492 44.581 1.00 31.91 C +ATOM 6524 CZ TYR C 219 -33.382 21.947 44.455 1.00 32.74 C +ATOM 6525 OH TYR C 219 -34.418 21.221 44.991 1.00 38.70 O +ATOM 6526 N ARG C 220 -30.603 25.601 46.024 1.00 20.57 N +ATOM 6527 CA ARG C 220 -30.444 25.240 47.403 1.00 25.73 C +ATOM 6528 C ARG C 220 -31.751 24.611 47.930 1.00 29.86 C +ATOM 6529 O ARG C 220 -32.832 25.160 47.703 1.00 27.20 O +ATOM 6530 CB ARG C 220 -29.982 26.401 48.224 1.00 32.66 C +ATOM 6531 CG ARG C 220 -30.897 27.479 48.642 1.00 36.10 C +ATOM 6532 CD ARG C 220 -30.082 28.616 49.277 1.00 40.51 C +ATOM 6533 NE ARG C 220 -29.901 28.540 50.754 1.00 42.18 N +ATOM 6534 CZ ARG C 220 -29.314 29.508 51.486 1.00 40.57 C +ATOM 6535 NH1 ARG C 220 -28.832 30.596 50.883 1.00 39.14 N +ATOM 6536 NH2 ARG C 220 -29.205 29.442 52.809 1.00 42.25 N +ATOM 6537 N MET C 221 -31.604 23.489 48.603 1.00 31.57 N +ATOM 6538 CA MET C 221 -32.761 22.724 49.115 1.00 33.59 C +ATOM 6539 C MET C 221 -32.292 21.759 50.144 1.00 35.38 C +ATOM 6540 O MET C 221 -31.470 20.909 49.800 1.00 32.92 O +ATOM 6541 CB MET C 221 -33.462 21.927 48.009 1.00 33.49 C +ATOM 6542 CG MET C 221 -34.882 21.336 48.424 1.00 37.14 C +ATOM 6543 SD MET C 221 -35.979 22.639 49.032 1.00 38.93 S +ATOM 6544 CE MET C 221 -36.136 23.550 47.495 1.00 38.96 C +ATOM 6545 N GLU C 222 -32.867 21.859 51.356 1.00 41.00 N +ATOM 6546 CA GLU C 222 -32.774 20.809 52.385 1.00 47.46 C +ATOM 6547 C GLU C 222 -31.293 20.547 52.645 1.00 41.79 C +ATOM 6548 O GLU C 222 -30.781 19.429 52.449 1.00 45.56 O +ATOM 6549 CB GLU C 222 -33.419 19.497 51.915 1.00 52.46 C +ATOM 6550 CG GLU C 222 -34.942 19.510 51.836 1.00 62.49 C +ATOM 6551 CD GLU C 222 -35.591 19.287 53.190 1.00 71.39 C +ATOM 6552 OE1 GLU C 222 -35.385 18.188 53.775 1.00 67.64 O +ATOM 6553 OE2 GLU C 222 -36.299 20.213 53.666 1.00 83.52 O +ATOM 6554 N ASN C 223 -30.605 21.553 53.092 1.00 38.05 N +ATOM 6555 CA ASN C 223 -29.163 21.289 53.385 1.00 37.43 C +ATOM 6556 C ASN C 223 -28.146 21.027 52.192 1.00 28.76 C +ATOM 6557 O ASN C 223 -26.986 20.779 52.491 1.00 23.36 O +ATOM 6558 CB ASN C 223 -29.005 20.147 54.416 1.00 41.38 C +ATOM 6559 CG ASN C 223 -29.598 20.493 55.783 1.00 50.14 C +ATOM 6560 OD1 ASN C 223 -29.879 21.652 56.105 1.00 54.40 O +ATOM 6561 ND2 ASN C 223 -29.725 19.493 56.608 1.00 54.18 N +ATOM 6562 N LEU C 224 -28.582 21.027 50.943 1.00 22.53 N +ATOM 6563 CA LEU C 224 -27.742 20.861 49.809 1.00 23.91 C +ATOM 6564 C LEU C 224 -27.727 22.170 49.016 1.00 21.01 C +ATOM 6565 O LEU C 224 -28.689 22.929 48.980 1.00 20.93 O +ATOM 6566 CB LEU C 224 -28.298 19.729 48.973 1.00 28.68 C +ATOM 6567 CG LEU C 224 -27.704 19.367 47.665 1.00 35.98 C +ATOM 6568 CD1 LEU C 224 -26.268 18.839 47.897 1.00 40.85 C +ATOM 6569 CD2 LEU C 224 -28.575 18.236 47.046 1.00 44.32 C +ATOM 6570 N TYR C 225 -26.562 22.501 48.450 1.00 19.38 N +ATOM 6571 CA TYR C 225 -26.379 23.687 47.601 1.00 17.11 C +ATOM 6572 C TYR C 225 -25.478 23.403 46.390 1.00 18.36 C +ATOM 6573 O TYR C 225 -24.462 22.684 46.561 1.00 18.40 O +ATOM 6574 CB TYR C 225 -25.662 24.738 48.410 1.00 16.37 C +ATOM 6575 CG TYR C 225 -25.461 26.056 47.727 1.00 17.33 C +ATOM 6576 CD1 TYR C 225 -26.493 26.963 47.595 1.00 18.35 C +ATOM 6577 CD2 TYR C 225 -24.231 26.351 47.037 1.00 16.80 C +ATOM 6578 CE1 TYR C 225 -26.348 28.121 46.942 1.00 16.65 C +ATOM 6579 CE2 TYR C 225 -24.054 27.557 46.418 1.00 15.81 C +ATOM 6580 CZ TYR C 225 -25.109 28.445 46.312 1.00 16.04 C +ATOM 6581 OH TYR C 225 -24.971 29.664 45.676 1.00 15.87 O +ATOM 6582 N PHE C 226 -25.873 23.824 45.197 1.00 17.96 N +ATOM 6583 CA PHE C 226 -25.024 23.685 43.988 1.00 19.82 C +ATOM 6584 C PHE C 226 -25.086 24.996 43.287 1.00 19.40 C +ATOM 6585 O PHE C 226 -26.121 25.641 43.251 1.00 18.54 O +ATOM 6586 CB PHE C 226 -25.591 22.645 42.977 1.00 23.25 C +ATOM 6587 CG PHE C 226 -25.707 21.306 43.474 1.00 30.26 C +ATOM 6588 CD1 PHE C 226 -24.608 20.434 43.437 1.00 35.11 C +ATOM 6589 CD2 PHE C 226 -26.936 20.854 43.941 1.00 32.57 C +ATOM 6590 CE1 PHE C 226 -24.722 19.101 43.857 1.00 38.54 C +ATOM 6591 CE2 PHE C 226 -27.072 19.534 44.361 1.00 42.52 C +ATOM 6592 CZ PHE C 226 -25.969 18.660 44.335 1.00 40.26 C +ATOM 6593 N ALA C 227 -23.981 25.419 42.647 1.00 16.70 N +ATOM 6594 CA ALA C 227 -24.005 26.663 41.897 1.00 14.94 C +ATOM 6595 C ALA C 227 -23.015 26.675 40.786 1.00 14.95 C +ATOM 6596 O ALA C 227 -21.967 25.962 40.847 1.00 15.05 O +ATOM 6597 CB ALA C 227 -23.787 27.861 42.837 1.00 16.18 C +ATOM 6598 N GLY C 228 -23.192 27.545 39.820 1.00 14.51 N +ATOM 6599 CA GLY C 228 -22.172 27.802 38.796 1.00 15.52 C +ATOM 6600 C GLY C 228 -22.076 29.269 38.460 1.00 16.23 C +ATOM 6601 O GLY C 228 -23.014 30.026 38.656 1.00 16.40 O +ATOM 6602 N LEU C 229 -20.889 29.682 37.998 1.00 15.32 N +ATOM 6603 CA LEU C 229 -20.529 31.072 37.739 1.00 14.12 C +ATOM 6604 C LEU C 229 -19.656 31.115 36.501 1.00 14.79 C +ATOM 6605 O LEU C 229 -18.702 30.339 36.427 1.00 15.75 O +ATOM 6606 CB LEU C 229 -19.820 31.733 38.939 1.00 14.10 C +ATOM 6607 CG LEU C 229 -19.328 33.113 38.714 1.00 16.09 C +ATOM 6608 CD1 LEU C 229 -20.473 34.183 38.670 1.00 19.09 C +ATOM 6609 CD2 LEU C 229 -18.353 33.355 39.919 1.00 17.39 C +ATOM 6610 N PHE C 230 -19.909 32.058 35.602 1.00 12.84 N +ATOM 6611 CA PHE C 230 -19.190 32.315 34.420 1.00 14.66 C +ATOM 6612 C PHE C 230 -18.849 33.786 34.360 1.00 15.11 C +ATOM 6613 O PHE C 230 -19.735 34.667 34.521 1.00 15.38 O +ATOM 6614 CB PHE C 230 -20.033 31.949 33.187 1.00 16.08 C +ATOM 6615 CG PHE C 230 -19.343 32.245 31.901 1.00 18.48 C +ATOM 6616 CD1 PHE C 230 -18.257 31.482 31.497 1.00 20.73 C +ATOM 6617 CD2 PHE C 230 -19.754 33.304 31.104 1.00 22.07 C +ATOM 6618 CE1 PHE C 230 -17.610 31.716 30.273 1.00 23.35 C +ATOM 6619 CE2 PHE C 230 -19.112 33.539 29.894 1.00 23.62 C +ATOM 6620 CZ PHE C 230 -18.041 32.758 29.504 1.00 22.62 C +ATOM 6621 N THR C 231 -17.567 34.092 34.133 1.00 15.89 N +ATOM 6622 CA THR C 231 -17.070 35.434 33.960 1.00 14.56 C +ATOM 6623 C THR C 231 -16.314 35.556 32.645 1.00 15.30 C +ATOM 6624 O THR C 231 -15.514 34.688 32.317 1.00 17.10 O +ATOM 6625 CB THR C 231 -16.030 35.753 35.106 1.00 14.88 C +ATOM 6626 OG1 THR C 231 -16.681 35.610 36.375 1.00 16.25 O +ATOM 6627 CG2 THR C 231 -15.554 37.159 35.009 1.00 15.70 C +ATOM 6628 N ASP C 232 -16.520 36.635 31.909 1.00 16.87 N +ATOM 6629 CA ASP C 232 -15.804 36.858 30.647 1.00 18.46 C +ATOM 6630 C ASP C 232 -15.591 38.284 30.407 1.00 18.21 C +ATOM 6631 O ASP C 232 -16.506 39.093 30.588 1.00 16.49 O +ATOM 6632 CB ASP C 232 -16.629 36.268 29.508 1.00 19.69 C +ATOM 6633 CG ASP C 232 -15.852 36.273 28.179 1.00 25.69 C +ATOM 6634 OD1 ASP C 232 -14.705 35.818 28.124 1.00 27.77 O +ATOM 6635 OD2 ASP C 232 -16.385 36.845 27.265 1.00 38.02 O +ATOM 6636 N GLY C 233 -14.352 38.634 30.056 1.00 19.71 N +ATOM 6637 CA GLY C 233 -14.046 40.024 29.794 1.00 19.03 C +ATOM 6638 C GLY C 233 -12.635 40.318 29.364 1.00 19.14 C +ATOM 6639 O GLY C 233 -11.970 39.455 28.782 1.00 18.24 O +ATOM 6640 N GLU C 234 -12.125 41.464 29.747 1.00 20.14 N +ATOM 6641 CA GLU C 234 -10.767 41.932 29.422 1.00 23.04 C +ATOM 6642 C GLU C 234 -10.194 42.590 30.640 1.00 22.95 C +ATOM 6643 O GLU C 234 -10.848 43.378 31.286 1.00 22.42 O +ATOM 6644 CB GLU C 234 -10.762 42.983 28.309 1.00 27.06 C +ATOM 6645 CG GLU C 234 -11.355 42.479 27.043 1.00 29.11 C +ATOM 6646 CD GLU C 234 -11.277 43.531 25.947 1.00 32.73 C +ATOM 6647 OE1 GLU C 234 -11.766 44.668 26.144 1.00 32.88 O +ATOM 6648 OE2 GLU C 234 -10.648 43.238 24.921 1.00 40.85 O +ATOM 6649 N LEU C 235 -8.944 42.243 30.967 1.00 23.05 N +ATOM 6650 CA LEU C 235 -8.294 42.876 32.080 1.00 24.09 C +ATOM 6651 C LEU C 235 -7.306 43.930 31.629 1.00 28.52 C +ATOM 6652 O LEU C 235 -6.804 44.678 32.420 1.00 29.94 O +ATOM 6653 CB LEU C 235 -7.627 41.808 32.938 1.00 26.70 C +ATOM 6654 CG LEU C 235 -8.471 40.776 33.649 1.00 27.36 C +ATOM 6655 CD1 LEU C 235 -7.486 39.841 34.345 1.00 32.59 C +ATOM 6656 CD2 LEU C 235 -9.433 41.459 34.624 1.00 32.05 C +ATOM 6657 N ALA C 236 -7.044 44.001 30.352 1.00 26.25 N +ATOM 6658 CA ALA C 236 -6.217 45.097 29.854 1.00 33.27 C +ATOM 6659 C ALA C 236 -6.422 45.000 28.366 1.00 34.85 C +ATOM 6660 O ALA C 236 -7.076 44.062 27.868 1.00 32.29 O +ATOM 6661 CB ALA C 236 -4.720 44.931 30.225 1.00 33.05 C +ATOM 6662 N LYS C 237 -5.844 45.972 27.678 1.00 45.64 N +ATOM 6663 CA LYS C 237 -5.744 45.921 26.231 1.00 48.76 C +ATOM 6664 C LYS C 237 -4.942 44.667 25.893 1.00 41.12 C +ATOM 6665 O LYS C 237 -3.794 44.473 26.373 1.00 48.28 O +ATOM 6666 CB LYS C 237 -5.063 47.190 25.646 1.00 53.67 C +ATOM 6667 CG LYS C 237 -4.478 47.010 24.238 1.00 60.57 C +ATOM 6668 CD LYS C 237 -4.397 48.295 23.412 1.00 61.33 C +ATOM 6669 CE LYS C 237 -3.550 49.367 24.060 1.00 62.96 C +ATOM 6670 NZ LYS C 237 -3.533 50.585 23.206 1.00 65.06 N +ATOM 6671 N ASP C 238 -5.556 43.832 25.092 1.00 37.70 N +ATOM 6672 CA ASP C 238 -4.964 42.589 24.605 1.00 45.95 C +ATOM 6673 C ASP C 238 -4.820 41.460 25.643 1.00 44.39 C +ATOM 6674 O ASP C 238 -4.040 40.513 25.453 1.00 44.70 O +ATOM 6675 CB ASP C 238 -3.651 42.892 23.831 1.00 48.84 C +ATOM 6676 CG ASP C 238 -3.905 43.732 22.556 1.00 56.39 C +ATOM 6677 OD1 ASP C 238 -4.791 43.306 21.776 1.00 63.85 O +ATOM 6678 OD2 ASP C 238 -3.239 44.793 22.331 1.00 54.09 O +ATOM 6679 N VAL C 239 -5.659 41.500 26.698 1.00 34.68 N +ATOM 6680 CA VAL C 239 -5.599 40.505 27.769 1.00 30.25 C +ATOM 6681 C VAL C 239 -7.057 40.086 28.069 1.00 25.03 C +ATOM 6682 O VAL C 239 -7.672 40.707 28.938 1.00 27.50 O +ATOM 6683 CB VAL C 239 -4.880 41.066 29.050 1.00 30.15 C +ATOM 6684 CG1 VAL C 239 -4.718 40.001 30.106 1.00 27.89 C +ATOM 6685 CG2 VAL C 239 -3.485 41.636 28.779 1.00 32.81 C +ATOM 6686 N ASP C 240 -7.569 39.082 27.357 1.00 24.93 N +ATOM 6687 CA ASP C 240 -8.834 38.437 27.626 1.00 25.70 C +ATOM 6688 C ASP C 240 -8.774 37.704 28.959 1.00 24.13 C +ATOM 6689 O ASP C 240 -7.690 37.284 29.419 1.00 24.97 O +ATOM 6690 CB ASP C 240 -9.258 37.426 26.541 1.00 27.61 C +ATOM 6691 CG ASP C 240 -9.615 38.093 25.234 1.00 35.06 C +ATOM 6692 OD1 ASP C 240 -9.767 39.321 25.221 1.00 37.80 O +ATOM 6693 OD2 ASP C 240 -9.775 37.355 24.263 1.00 41.74 O +ATOM 6694 N TYR C 241 -9.955 37.584 29.576 1.00 20.40 N +ATOM 6695 CA TYR C 241 -10.105 36.795 30.814 1.00 17.87 C +ATOM 6696 C TYR C 241 -11.418 36.038 30.739 1.00 19.30 C +ATOM 6697 O TYR C 241 -12.433 36.624 30.459 1.00 20.16 O +ATOM 6698 CB TYR C 241 -10.113 37.737 31.991 1.00 17.64 C +ATOM 6699 CG TYR C 241 -10.288 36.996 33.330 1.00 18.22 C +ATOM 6700 CD1 TYR C 241 -9.208 36.462 33.969 1.00 17.14 C +ATOM 6701 CD2 TYR C 241 -11.533 36.917 33.951 1.00 17.50 C +ATOM 6702 CE1 TYR C 241 -9.346 35.803 35.164 1.00 16.07 C +ATOM 6703 CE2 TYR C 241 -11.741 36.217 35.121 1.00 17.97 C +ATOM 6704 CZ TYR C 241 -10.644 35.657 35.749 1.00 16.37 C +ATOM 6705 OH TYR C 241 -10.825 35.050 36.963 1.00 14.19 O +ATOM 6706 N THR C 242 -11.385 34.737 30.945 1.00 17.59 N +ATOM 6707 CA THR C 242 -12.559 33.933 31.092 1.00 17.02 C +ATOM 6708 C THR C 242 -12.393 33.031 32.319 1.00 19.51 C +ATOM 6709 O THR C 242 -11.355 32.338 32.495 1.00 19.44 O +ATOM 6710 CB THR C 242 -12.759 33.082 29.848 1.00 22.58 C +ATOM 6711 OG1 THR C 242 -12.627 33.948 28.696 1.00 24.46 O +ATOM 6712 CG2 THR C 242 -14.101 32.479 29.915 1.00 21.21 C +ATOM 6713 N GLY C 243 -13.415 33.007 33.160 1.00 15.39 N +ATOM 6714 CA GLY C 243 -13.380 32.103 34.278 1.00 15.67 C +ATOM 6715 C GLY C 243 -14.700 31.360 34.507 1.00 14.94 C +ATOM 6716 O GLY C 243 -15.759 31.892 34.259 1.00 17.19 O +ATOM 6717 N ATYR C 244 -14.584 30.158 35.030 0.70 16.12 N +ATOM 6718 N BTYR C 244 -14.642 30.148 35.000 0.30 14.19 N +ATOM 6719 CA ATYR C 244 -15.673 29.203 35.375 0.70 17.63 C +ATOM 6720 CA BTYR C 244 -15.850 29.504 35.495 0.30 13.87 C +ATOM 6721 C ATYR C 244 -15.530 28.769 36.816 0.70 16.77 C +ATOM 6722 C BTYR C 244 -15.565 28.812 36.785 0.30 14.40 C +ATOM 6723 O ATYR C 244 -14.423 28.393 37.221 0.70 15.55 O +ATOM 6724 O BTYR C 244 -14.434 28.380 37.056 0.30 14.69 O +ATOM 6725 CB ATYR C 244 -15.633 27.934 34.453 0.70 19.89 C +ATOM 6726 CB BTYR C 244 -16.490 28.579 34.438 0.30 12.64 C +ATOM 6727 CG ATYR C 244 -15.682 28.156 32.968 0.70 23.49 C +ATOM 6728 CG BTYR C 244 -15.683 27.377 34.104 0.30 12.46 C +ATOM 6729 CD1ATYR C 244 -14.530 28.354 32.224 0.70 25.23 C +ATOM 6730 CD1BTYR C 244 -14.724 27.422 33.109 0.30 12.36 C +ATOM 6731 CD2ATYR C 244 -16.920 28.162 32.288 0.70 28.41 C +ATOM 6732 CD2BTYR C 244 -15.922 26.172 34.739 0.30 11.31 C +ATOM 6733 CE1ATYR C 244 -14.585 28.536 30.841 0.70 27.02 C +ATOM 6734 CE1BTYR C 244 -13.997 26.296 32.758 0.30 13.76 C +ATOM 6735 CE2ATYR C 244 -16.982 28.361 30.912 0.70 28.14 C +ATOM 6736 CE2BTYR C 244 -15.186 25.035 34.399 0.30 13.09 C +ATOM 6737 CZ ATYR C 244 -15.810 28.530 30.209 0.70 28.73 C +ATOM 6738 CZ BTYR C 244 -14.269 25.085 33.404 0.30 14.02 C +ATOM 6739 OH ATYR C 244 -15.862 28.769 28.879 0.70 34.05 O +ATOM 6740 OH BTYR C 244 -13.594 23.928 33.150 0.30 18.39 O +ATOM 6741 N GLU C 245 -16.583 28.801 37.624 1.00 14.61 N +ATOM 6742 CA GLU C 245 -16.558 28.173 38.904 1.00 15.24 C +ATOM 6743 C GLU C 245 -17.822 27.265 39.057 1.00 14.67 C +ATOM 6744 O GLU C 245 -18.956 27.688 38.623 1.00 15.22 O +ATOM 6745 CB GLU C 245 -16.576 29.228 39.991 1.00 14.41 C +ATOM 6746 CG GLU C 245 -15.394 30.233 39.870 1.00 15.38 C +ATOM 6747 CD GLU C 245 -15.130 30.952 41.180 1.00 17.37 C +ATOM 6748 OE1 GLU C 245 -16.057 31.070 42.044 1.00 15.84 O +ATOM 6749 OE2 GLU C 245 -13.988 31.469 41.349 1.00 15.95 O +ATOM 6750 N LEU C 246 -17.632 26.126 39.718 1.00 14.39 N +ATOM 6751 CA LEU C 246 -18.697 25.282 40.175 1.00 15.62 C +ATOM 6752 C LEU C 246 -18.547 25.124 41.646 1.00 16.00 C +ATOM 6753 O LEU C 246 -17.397 24.956 42.172 1.00 17.45 O +ATOM 6754 CB LEU C 246 -18.595 23.943 39.442 1.00 16.14 C +ATOM 6755 CG LEU C 246 -18.759 23.934 37.909 1.00 20.23 C +ATOM 6756 CD1 LEU C 246 -18.316 22.556 37.393 1.00 23.19 C +ATOM 6757 CD2 LEU C 246 -20.195 24.329 37.553 1.00 22.23 C +ATOM 6758 N ALA C 247 -19.638 25.073 42.393 1.00 14.84 N +ATOM 6759 CA ALA C 247 -19.618 24.915 43.786 1.00 13.90 C +ATOM 6760 C ALA C 247 -20.702 23.951 44.255 1.00 14.89 C +ATOM 6761 O ALA C 247 -21.785 23.979 43.727 1.00 16.91 O +ATOM 6762 CB ALA C 247 -19.834 26.263 44.482 1.00 15.58 C +ATOM 6763 N ALA C 248 -20.383 23.154 45.266 1.00 15.66 N +ATOM 6764 CA ALA C 248 -21.387 22.281 45.929 1.00 17.75 C +ATOM 6765 C ALA C 248 -21.179 22.336 47.403 1.00 18.18 C +ATOM 6766 O ALA C 248 -20.046 22.471 47.888 1.00 16.22 O +ATOM 6767 CB ALA C 248 -21.211 20.887 45.476 1.00 17.71 C +ATOM 6768 N GLY C 249 -22.254 22.326 48.160 1.00 16.84 N +ATOM 6769 CA GLY C 249 -22.187 22.356 49.562 1.00 17.13 C +ATOM 6770 C GLY C 249 -23.203 21.470 50.269 1.00 18.57 C +ATOM 6771 O GLY C 249 -24.279 21.260 49.684 1.00 19.05 O +ATOM 6772 N TYR C 250 -22.845 20.989 51.432 1.00 19.26 N +ATOM 6773 CA TYR C 250 -23.773 20.170 52.220 1.00 20.27 C +ATOM 6774 C TYR C 250 -23.677 20.517 53.667 1.00 21.83 C +ATOM 6775 O TYR C 250 -22.557 20.586 54.224 1.00 19.51 O +ATOM 6776 CB TYR C 250 -23.520 18.694 51.940 1.00 20.56 C +ATOM 6777 CG TYR C 250 -24.710 17.849 52.375 1.00 24.77 C +ATOM 6778 CD1 TYR C 250 -25.838 17.723 51.555 1.00 35.78 C +ATOM 6779 CD2 TYR C 250 -24.711 17.164 53.604 1.00 34.27 C +ATOM 6780 CE1 TYR C 250 -26.976 16.974 51.969 1.00 41.18 C +ATOM 6781 CE2 TYR C 250 -25.829 16.392 54.002 1.00 36.85 C +ATOM 6782 CZ TYR C 250 -26.964 16.332 53.195 1.00 42.53 C +ATOM 6783 OH TYR C 250 -28.079 15.597 53.601 1.00 45.20 O +ATOM 6784 N LYS C 251 -24.842 20.720 54.333 1.00 20.30 N +ATOM 6785 CA LYS C 251 -24.904 21.049 55.701 1.00 24.10 C +ATOM 6786 C LYS C 251 -25.454 19.889 56.496 1.00 25.03 C +ATOM 6787 O LYS C 251 -26.486 19.316 56.129 1.00 25.54 O +ATOM 6788 CB LYS C 251 -25.719 22.261 55.910 1.00 28.79 C +ATOM 6789 CG LYS C 251 -25.702 22.628 57.370 1.00 38.95 C +ATOM 6790 CD LYS C 251 -26.699 23.740 57.585 1.00 44.66 C +ATOM 6791 CE LYS C 251 -26.071 24.742 58.501 1.00 47.59 C +ATOM 6792 NZ LYS C 251 -26.890 25.952 58.440 1.00 47.13 N +ATOM 6793 N LEU C 252 -24.704 19.465 57.468 1.00 22.96 N +ATOM 6794 CA LEU C 252 -25.128 18.345 58.342 1.00 25.64 C +ATOM 6795 C LEU C 252 -24.912 18.755 59.791 1.00 23.61 C +ATOM 6796 O LEU C 252 -23.775 18.871 60.310 1.00 20.95 O +ATOM 6797 CB LEU C 252 -24.265 17.192 57.935 1.00 29.63 C +ATOM 6798 CG LEU C 252 -24.554 15.755 58.066 1.00 35.03 C +ATOM 6799 CD1 LEU C 252 -26.006 15.446 57.698 1.00 33.35 C +ATOM 6800 CD2 LEU C 252 -23.549 15.018 57.182 1.00 32.60 C +ATOM 6801 N GLY C 253 -26.034 18.975 60.493 1.00 24.57 N +ATOM 6802 CA GLY C 253 -25.954 19.417 61.862 1.00 25.20 C +ATOM 6803 C GLY C 253 -25.289 20.803 61.884 1.00 21.89 C +ATOM 6804 O GLY C 253 -25.671 21.667 61.140 1.00 24.52 O +ATOM 6805 N GLN C 254 -24.235 20.888 62.663 1.00 20.49 N +ATOM 6806 CA GLN C 254 -23.460 22.142 62.804 1.00 19.10 C +ATOM 6807 C GLN C 254 -22.302 22.189 61.815 1.00 20.09 C +ATOM 6808 O GLN C 254 -21.469 23.093 61.900 1.00 19.40 O +ATOM 6809 CB GLN C 254 -23.024 22.300 64.227 1.00 21.72 C +ATOM 6810 CG GLN C 254 -24.246 22.530 65.105 1.00 25.30 C +ATOM 6811 CD GLN C 254 -23.938 22.504 66.601 1.00 31.95 C +ATOM 6812 OE1 GLN C 254 -22.908 23.042 67.108 1.00 31.32 O +ATOM 6813 NE2 GLN C 254 -24.839 21.888 67.347 1.00 34.44 N +ATOM 6814 N ALA C 255 -22.160 21.183 60.969 1.00 18.30 N +ATOM 6815 CA ALA C 255 -21.036 21.112 60.053 1.00 18.75 C +ATOM 6816 C ALA C 255 -21.460 21.478 58.681 1.00 20.38 C +ATOM 6817 O ALA C 255 -22.586 21.164 58.214 1.00 22.45 O +ATOM 6818 CB ALA C 255 -20.465 19.696 60.030 1.00 21.38 C +ATOM 6819 N ALA C 256 -20.558 22.127 57.930 1.00 16.76 N +ATOM 6820 CA ALA C 256 -20.781 22.431 56.520 1.00 15.43 C +ATOM 6821 C ALA C 256 -19.611 21.929 55.702 1.00 14.36 C +ATOM 6822 O ALA C 256 -18.457 22.200 56.084 1.00 15.90 O +ATOM 6823 CB ALA C 256 -20.877 23.951 56.302 1.00 15.83 C +ATOM 6824 N PHE C 257 -19.898 21.252 54.614 1.00 14.50 N +ATOM 6825 CA PHE C 257 -18.849 20.720 53.731 1.00 14.83 C +ATOM 6826 C PHE C 257 -18.993 21.363 52.404 1.00 14.73 C +ATOM 6827 O PHE C 257 -20.116 21.447 51.849 1.00 15.83 O +ATOM 6828 CB PHE C 257 -19.039 19.195 53.622 1.00 17.04 C +ATOM 6829 CG PHE C 257 -18.910 18.508 54.933 1.00 17.14 C +ATOM 6830 CD1 PHE C 257 -17.671 18.235 55.492 1.00 18.52 C +ATOM 6831 CD2 PHE C 257 -20.048 18.142 55.659 1.00 18.98 C +ATOM 6832 CE1 PHE C 257 -17.545 17.568 56.698 1.00 18.25 C +ATOM 6833 CE2 PHE C 257 -19.876 17.508 56.869 1.00 18.96 C +ATOM 6834 CZ PHE C 257 -18.684 17.248 57.421 1.00 19.14 C +ATOM 6835 N THR C 258 -17.873 21.824 51.780 1.00 13.89 N +ATOM 6836 CA THR C 258 -17.970 22.335 50.465 1.00 13.13 C +ATOM 6837 C THR C 258 -16.867 21.864 49.524 1.00 13.69 C +ATOM 6838 O THR C 258 -15.815 21.426 49.971 1.00 14.67 O +ATOM 6839 CB THR C 258 -18.007 23.934 50.393 1.00 16.87 C +ATOM 6840 OG1 THR C 258 -16.688 24.448 50.609 1.00 18.46 O +ATOM 6841 CG2 THR C 258 -18.990 24.580 51.341 1.00 15.72 C +ATOM 6842 N ALA C 259 -17.146 21.951 48.219 1.00 13.71 N +ATOM 6843 CA ALA C 259 -16.174 21.663 47.143 1.00 16.19 C +ATOM 6844 C ALA C 259 -16.353 22.655 46.078 1.00 15.60 C +ATOM 6845 O ALA C 259 -17.506 23.032 45.758 1.00 16.76 O +ATOM 6846 CB ALA C 259 -16.316 20.256 46.586 1.00 17.17 C +ATOM 6847 N THR C 260 -15.278 23.156 45.481 1.00 14.82 N +ATOM 6848 CA THR C 260 -15.315 24.013 44.321 1.00 13.87 C +ATOM 6849 C THR C 260 -14.288 23.614 43.253 1.00 13.16 C +ATOM 6850 O THR C 260 -13.253 23.052 43.563 1.00 15.30 O +ATOM 6851 CB THR C 260 -15.078 25.541 44.681 1.00 15.16 C +ATOM 6852 OG1 THR C 260 -13.762 25.654 45.212 1.00 15.61 O +ATOM 6853 CG2 THR C 260 -16.131 26.046 45.664 1.00 14.38 C +ATOM 6854 N TYR C 261 -14.654 23.878 42.011 1.00 13.89 N +ATOM 6855 CA TYR C 261 -13.789 23.804 40.890 1.00 14.75 C +ATOM 6856 C TYR C 261 -13.757 25.212 40.324 1.00 14.86 C +ATOM 6857 O TYR C 261 -14.759 25.848 40.011 1.00 14.39 O +ATOM 6858 CB TYR C 261 -14.272 22.781 39.869 1.00 15.88 C +ATOM 6859 CG TYR C 261 -13.297 22.735 38.703 1.00 15.58 C +ATOM 6860 CD1 TYR C 261 -11.987 22.311 38.892 1.00 17.73 C +ATOM 6861 CD2 TYR C 261 -13.640 23.175 37.457 1.00 17.08 C +ATOM 6862 CE1 TYR C 261 -11.056 22.372 37.855 1.00 21.08 C +ATOM 6863 CE2 TYR C 261 -12.719 23.152 36.372 1.00 18.19 C +ATOM 6864 CZ TYR C 261 -11.426 22.725 36.609 1.00 20.26 C +ATOM 6865 OH TYR C 261 -10.416 22.756 35.619 1.00 21.92 O +ATOM 6866 N ASN C 262 -12.535 25.701 40.085 1.00 14.07 N +ATOM 6867 CA ASN C 262 -12.372 27.030 39.575 1.00 13.05 C +ATOM 6868 C ASN C 262 -11.342 27.006 38.432 1.00 16.78 C +ATOM 6869 O ASN C 262 -10.224 26.447 38.613 1.00 14.49 O +ATOM 6870 CB ASN C 262 -11.758 27.952 40.658 1.00 14.72 C +ATOM 6871 CG ASN C 262 -12.644 28.322 41.854 1.00 15.67 C +ATOM 6872 OD1 ASN C 262 -12.119 28.951 42.782 1.00 16.44 O +ATOM 6873 ND2 ASN C 262 -13.900 27.879 41.936 1.00 14.54 N +ATOM 6874 N ASN C 263 -11.689 27.520 37.274 1.00 15.15 N +ATOM 6875 CA ASN C 263 -10.753 27.486 36.125 1.00 16.29 C +ATOM 6876 C ASN C 263 -10.749 28.840 35.465 1.00 15.44 C +ATOM 6877 O ASN C 263 -11.801 29.350 35.052 1.00 15.35 O +ATOM 6878 CB ASN C 263 -11.196 26.352 35.135 1.00 16.34 C +ATOM 6879 CG ASN C 263 -10.258 26.233 33.932 1.00 20.76 C +ATOM 6880 OD1 ASN C 263 -9.962 27.196 33.218 1.00 22.11 O +ATOM 6881 ND2 ASN C 263 -9.607 25.080 33.846 1.00 23.41 N +ATOM 6882 N ALA C 264 -9.599 29.521 35.384 1.00 14.76 N +ATOM 6883 CA ALA C 264 -9.486 30.819 34.728 1.00 15.35 C +ATOM 6884 C ALA C 264 -8.419 30.783 33.663 1.00 17.59 C +ATOM 6885 O ALA C 264 -7.385 30.105 33.846 1.00 17.85 O +ATOM 6886 CB ALA C 264 -9.151 31.912 35.686 1.00 17.85 C +ATOM 6887 N GLU C 265 -8.662 31.523 32.593 1.00 18.41 N +ATOM 6888 CA GLU C 265 -7.660 31.683 31.503 1.00 20.72 C +ATOM 6889 C GLU C 265 -7.424 33.172 31.330 1.00 20.27 C +ATOM 6890 O GLU C 265 -8.391 33.960 31.222 1.00 19.60 O +ATOM 6891 CB GLU C 265 -8.271 31.125 30.210 1.00 23.80 C +ATOM 6892 CG GLU C 265 -8.412 29.647 30.194 1.00 31.93 C +ATOM 6893 CD GLU C 265 -8.679 29.097 28.798 1.00 39.30 C +ATOM 6894 OE1 GLU C 265 -8.704 29.942 27.846 1.00 40.07 O +ATOM 6895 OE2 GLU C 265 -8.868 27.831 28.736 1.00 36.92 O +ATOM 6896 N THR C 266 -6.184 33.602 31.216 1.00 20.09 N +ATOM 6897 CA THR C 266 -5.856 35.000 31.069 1.00 21.33 C +ATOM 6898 C THR C 266 -4.959 35.038 29.807 1.00 25.24 C +ATOM 6899 O THR C 266 -3.947 34.307 29.749 1.00 24.55 O +ATOM 6900 CB THR C 266 -5.071 35.454 32.286 1.00 23.60 C +ATOM 6901 OG1 THR C 266 -5.869 35.326 33.479 1.00 23.62 O +ATOM 6902 CG2 THR C 266 -4.583 36.917 32.193 1.00 25.68 C +ATOM 6903 N ALA C 267 -5.371 35.823 28.814 1.00 30.47 N +ATOM 6904 CA ALA C 267 -4.607 35.929 27.528 1.00 30.56 C +ATOM 6905 C ALA C 267 -4.398 34.554 26.953 1.00 32.93 C +ATOM 6906 O ALA C 267 -3.262 34.173 26.636 1.00 38.03 O +ATOM 6907 CB ALA C 267 -3.292 36.663 27.780 1.00 35.71 C +ATOM 6908 N LYS C 268 -5.496 33.800 26.955 1.00 32.09 N +ATOM 6909 CA LYS C 268 -5.685 32.455 26.424 1.00 38.13 C +ATOM 6910 C LYS C 268 -4.727 31.387 27.016 1.00 34.76 C +ATOM 6911 O LYS C 268 -4.588 30.280 26.456 1.00 36.27 O +ATOM 6912 CB LYS C 268 -5.663 32.472 24.878 1.00 41.61 C +ATOM 6913 CG LYS C 268 -6.645 33.480 24.234 1.00 48.52 C +ATOM 6914 CD LYS C 268 -8.113 33.160 24.483 1.00 48.32 C +ATOM 6915 CE LYS C 268 -9.038 34.211 23.832 1.00 55.43 C +ATOM 6916 NZ LYS C 268 -10.354 34.449 24.538 1.00 49.73 N +ATOM 6917 N LYS C 269 -4.168 31.655 28.202 1.00 30.11 N +ATOM 6918 CA LYS C 269 -3.380 30.672 28.899 1.00 25.45 C +ATOM 6919 C LYS C 269 -4.098 30.420 30.264 1.00 21.88 C +ATOM 6920 O LYS C 269 -4.463 31.390 30.931 1.00 20.91 O +ATOM 6921 CB LYS C 269 -2.011 31.245 29.172 1.00 30.61 C +ATOM 6922 CG LYS C 269 -1.017 30.160 29.584 1.00 41.89 C +ATOM 6923 CD LYS C 269 0.400 30.718 29.740 1.00 45.46 C +ATOM 6924 CE LYS C 269 1.335 29.592 30.142 1.00 50.02 C +ATOM 6925 NZ LYS C 269 2.733 30.094 30.082 1.00 58.58 N +ATOM 6926 N THR C 270 -4.152 29.153 30.665 1.00 21.35 N +ATOM 6927 CA THR C 270 -4.734 28.824 31.979 1.00 20.75 C +ATOM 6928 C THR C 270 -3.931 29.467 33.084 1.00 22.41 C +ATOM 6929 O THR C 270 -2.736 29.265 33.185 1.00 21.89 O +ATOM 6930 CB THR C 270 -4.798 27.317 32.239 1.00 21.76 C +ATOM 6931 OG1 THR C 270 -5.489 26.670 31.185 1.00 20.75 O +ATOM 6932 CG2 THR C 270 -5.619 27.063 33.587 1.00 21.17 C +ATOM 6933 N SER C 271 -4.608 30.257 33.945 1.00 18.49 N +ATOM 6934 CA SER C 271 -3.965 30.983 35.042 1.00 18.20 C +ATOM 6935 C SER C 271 -4.427 30.558 36.427 1.00 18.33 C +ATOM 6936 O SER C 271 -3.774 30.857 37.430 1.00 19.32 O +ATOM 6937 CB SER C 271 -4.148 32.517 34.885 1.00 19.40 C +ATOM 6938 OG SER C 271 -5.532 32.856 34.714 1.00 18.79 O +ATOM 6939 N ALA C 272 -5.552 29.814 36.489 1.00 15.65 N +ATOM 6940 CA ALA C 272 -6.008 29.203 37.730 1.00 16.33 C +ATOM 6941 C ALA C 272 -6.709 27.901 37.332 1.00 15.00 C +ATOM 6942 O ALA C 272 -7.503 27.913 36.346 1.00 16.20 O +ATOM 6943 CB ALA C 272 -6.953 30.090 38.552 1.00 17.48 C +ATOM 6944 N ASP C 273 -6.437 26.828 38.082 1.00 15.38 N +ATOM 6945 CA ASP C 273 -7.119 25.511 37.864 1.00 15.18 C +ATOM 6946 C ASP C 273 -7.069 24.787 39.154 1.00 16.41 C +ATOM 6947 O ASP C 273 -6.076 24.145 39.512 1.00 16.43 O +ATOM 6948 CB ASP C 273 -6.412 24.776 36.705 1.00 16.06 C +ATOM 6949 CG ASP C 273 -7.194 23.647 36.154 1.00 22.49 C +ATOM 6950 OD1 ASP C 273 -8.197 23.287 36.721 1.00 23.41 O +ATOM 6951 OD2 ASP C 273 -6.768 23.072 35.100 1.00 22.64 O +ATOM 6952 N ASN C 274 -8.116 24.997 39.979 1.00 14.77 N +ATOM 6953 CA ASN C 274 -8.148 24.627 41.368 1.00 14.65 C +ATOM 6954 C ASN C 274 -9.360 23.752 41.684 1.00 14.56 C +ATOM 6955 O ASN C 274 -10.465 24.127 41.295 1.00 15.12 O +ATOM 6956 CB ASN C 274 -8.228 25.850 42.297 1.00 14.47 C +ATOM 6957 CG ASN C 274 -6.990 26.717 42.196 1.00 14.99 C +ATOM 6958 OD1 ASN C 274 -5.845 26.156 42.218 1.00 16.23 O +ATOM 6959 ND2 ASN C 274 -7.168 28.030 42.002 1.00 14.77 N +ATOM 6960 N PHE C 275 -9.111 22.636 42.325 1.00 14.57 N +ATOM 6961 CA PHE C 275 -10.209 21.863 42.937 1.00 14.37 C +ATOM 6962 C PHE C 275 -10.002 21.920 44.401 1.00 13.08 C +ATOM 6963 O PHE C 275 -8.925 21.519 44.893 1.00 14.86 O +ATOM 6964 CB PHE C 275 -10.245 20.449 42.394 1.00 15.65 C +ATOM 6965 CG PHE C 275 -11.245 19.591 43.096 1.00 15.95 C +ATOM 6966 CD1 PHE C 275 -12.578 19.853 42.958 1.00 19.33 C +ATOM 6967 CD2 PHE C 275 -10.867 18.638 44.017 1.00 19.06 C +ATOM 6968 CE1 PHE C 275 -13.528 19.077 43.660 1.00 19.16 C +ATOM 6969 CE2 PHE C 275 -11.826 17.860 44.685 1.00 18.97 C +ATOM 6970 CZ PHE C 275 -13.149 18.116 44.491 1.00 18.87 C +ATOM 6971 N ALA C 276 -10.963 22.406 45.209 1.00 12.93 N +ATOM 6972 CA ALA C 276 -10.707 22.538 46.652 1.00 12.41 C +ATOM 6973 C ALA C 276 -11.884 21.946 47.450 1.00 13.76 C +ATOM 6974 O ALA C 276 -13.026 21.974 46.929 1.00 14.04 O +ATOM 6975 CB ALA C 276 -10.545 24.013 46.968 1.00 12.79 C +ATOM 6976 N ILE C 277 -11.588 21.441 48.613 1.00 13.96 N +ATOM 6977 CA ILE C 277 -12.594 20.882 49.491 1.00 13.73 C +ATOM 6978 C ILE C 277 -12.423 21.387 50.874 1.00 14.46 C +ATOM 6979 O ILE C 277 -11.266 21.637 51.315 1.00 14.35 O +ATOM 6980 CB ILE C 277 -12.501 19.310 49.502 1.00 15.99 C +ATOM 6981 CG1 ILE C 277 -11.111 18.832 49.911 1.00 17.27 C +ATOM 6982 CG2 ILE C 277 -12.927 18.779 48.142 1.00 17.15 C +ATOM 6983 CD1 ILE C 277 -10.942 17.306 49.983 1.00 18.46 C +ATOM 6984 N ASP C 278 -13.498 21.482 51.652 1.00 13.02 N +ATOM 6985 CA ASP C 278 -13.364 21.886 53.050 1.00 13.64 C +ATOM 6986 C ASP C 278 -14.455 21.377 53.964 1.00 13.64 C +ATOM 6987 O ASP C 278 -15.454 20.798 53.506 1.00 15.25 O +ATOM 6988 CB ASP C 278 -13.148 23.458 53.173 1.00 13.38 C +ATOM 6989 CG ASP C 278 -14.403 24.235 53.018 1.00 14.92 C +ATOM 6990 OD1 ASP C 278 -15.514 23.628 52.815 1.00 16.68 O +ATOM 6991 OD2 ASP C 278 -14.266 25.523 53.117 1.00 14.56 O +ATOM 6992 N ALA C 279 -14.181 21.531 55.218 1.00 14.22 N +ATOM 6993 CA ALA C 279 -15.081 21.147 56.314 1.00 14.68 C +ATOM 6994 C ALA C 279 -15.020 22.249 57.342 1.00 15.46 C +ATOM 6995 O ALA C 279 -13.924 22.618 57.858 1.00 14.68 O +ATOM 6996 CB ALA C 279 -14.622 19.856 56.956 1.00 17.16 C +ATOM 6997 N THR C 280 -16.195 22.774 57.729 1.00 14.03 N +ATOM 6998 CA THR C 280 -16.271 23.868 58.719 1.00 13.88 C +ATOM 6999 C THR C 280 -17.255 23.415 59.830 1.00 15.67 C +ATOM 7000 O THR C 280 -18.367 22.982 59.485 1.00 16.97 O +ATOM 7001 CB THR C 280 -16.737 25.179 58.030 1.00 13.88 C +ATOM 7002 OG1 THR C 280 -15.883 25.384 56.894 1.00 14.82 O +ATOM 7003 CG2 THR C 280 -16.814 26.289 58.931 1.00 13.78 C +ATOM 7004 N TYR C 281 -16.864 23.586 61.056 1.00 14.81 N +ATOM 7005 CA TYR C 281 -17.717 23.212 62.162 1.00 15.58 C +ATOM 7006 C TYR C 281 -18.116 24.447 62.949 1.00 16.76 C +ATOM 7007 O TYR C 281 -17.227 25.122 63.481 1.00 16.35 O +ATOM 7008 CB TYR C 281 -17.084 22.151 63.070 1.00 16.25 C +ATOM 7009 CG TYR C 281 -18.066 21.655 64.163 1.00 17.44 C +ATOM 7010 CD1 TYR C 281 -18.988 20.696 63.869 1.00 19.40 C +ATOM 7011 CD2 TYR C 281 -18.034 22.192 65.421 1.00 20.26 C +ATOM 7012 CE1 TYR C 281 -19.926 20.293 64.842 1.00 21.81 C +ATOM 7013 CE2 TYR C 281 -18.948 21.808 66.402 1.00 22.10 C +ATOM 7014 CZ TYR C 281 -19.895 20.885 66.090 1.00 23.69 C +ATOM 7015 OH TYR C 281 -20.791 20.527 67.132 1.00 25.59 O +ATOM 7016 N TYR C 282 -19.445 24.681 63.077 1.00 16.43 N +ATOM 7017 CA TYR C 282 -19.958 25.834 63.815 1.00 16.14 C +ATOM 7018 C TYR C 282 -20.276 25.427 65.275 1.00 16.71 C +ATOM 7019 O TYR C 282 -21.383 24.960 65.517 1.00 19.89 O +ATOM 7020 CB TYR C 282 -21.151 26.427 63.105 1.00 17.42 C +ATOM 7021 CG TYR C 282 -20.837 27.056 61.750 1.00 16.75 C +ATOM 7022 CD1 TYR C 282 -20.613 26.304 60.648 1.00 16.39 C +ATOM 7023 CD2 TYR C 282 -20.677 28.447 61.654 1.00 17.00 C +ATOM 7024 CE1 TYR C 282 -20.358 26.866 59.420 1.00 15.51 C +ATOM 7025 CE2 TYR C 282 -20.425 29.024 60.433 1.00 15.76 C +ATOM 7026 CZ TYR C 282 -20.163 28.237 59.326 1.00 16.10 C +ATOM 7027 OH TYR C 282 -19.888 28.833 58.110 1.00 16.59 O +ATOM 7028 N PHE C 283 -19.349 25.655 66.173 1.00 17.37 N +ATOM 7029 CA PHE C 283 -19.614 25.418 67.570 1.00 17.79 C +ATOM 7030 C PHE C 283 -20.761 26.263 68.052 1.00 21.03 C +ATOM 7031 O PHE C 283 -21.606 25.797 68.887 1.00 20.80 O +ATOM 7032 CB PHE C 283 -18.439 25.667 68.444 1.00 17.58 C +ATOM 7033 CG PHE C 283 -17.247 24.803 68.171 1.00 19.17 C +ATOM 7034 CD1 PHE C 283 -17.130 23.567 68.736 1.00 21.45 C +ATOM 7035 CD2 PHE C 283 -16.241 25.225 67.313 1.00 19.58 C +ATOM 7036 CE1 PHE C 283 -16.030 22.740 68.480 1.00 23.60 C +ATOM 7037 CE2 PHE C 283 -15.163 24.401 67.047 1.00 23.71 C +ATOM 7038 CZ PHE C 283 -15.048 23.159 67.632 1.00 23.37 C +ATOM 7039 N LYS C 284 -20.720 27.534 67.673 1.00 19.30 N +ATOM 7040 CA LYS C 284 -21.778 28.503 67.933 1.00 21.72 C +ATOM 7041 C LYS C 284 -21.879 29.319 66.680 1.00 23.26 C +ATOM 7042 O LYS C 284 -21.027 29.194 65.764 1.00 21.25 O +ATOM 7043 CB LYS C 284 -21.419 29.349 69.180 1.00 25.66 C +ATOM 7044 CG LYS C 284 -21.607 28.634 70.521 1.00 30.57 C +ATOM 7045 CD LYS C 284 -23.071 28.264 70.709 1.00 37.84 C +ATOM 7046 CE LYS C 284 -23.623 28.675 72.054 1.00 46.95 C +ATOM 7047 NZ LYS C 284 -24.669 27.683 72.443 1.00 54.94 N +ATOM 7048 N PRO C 285 -22.900 30.145 66.591 1.00 24.77 N +ATOM 7049 CA PRO C 285 -23.023 30.886 65.337 1.00 24.14 C +ATOM 7050 C PRO C 285 -21.805 31.767 65.046 1.00 26.16 C +ATOM 7051 O PRO C 285 -21.445 31.922 63.846 1.00 29.05 O +ATOM 7052 CB PRO C 285 -24.274 31.772 65.572 1.00 26.76 C +ATOM 7053 CG PRO C 285 -25.090 30.973 66.559 1.00 27.10 C +ATOM 7054 CD PRO C 285 -24.117 30.301 67.474 1.00 24.38 C +ATOM 7055 N ASN C 286 -21.189 32.221 66.122 1.00 22.54 N +ATOM 7056 CA ASN C 286 -19.949 33.020 66.015 1.00 24.35 C +ATOM 7057 C ASN C 286 -18.572 32.427 66.451 1.00 18.86 C +ATOM 7058 O ASN C 286 -17.618 33.158 66.784 1.00 17.79 O +ATOM 7059 CB ASN C 286 -20.139 34.262 66.770 1.00 25.00 C +ATOM 7060 CG ASN C 286 -20.112 34.022 68.194 1.00 27.27 C +ATOM 7061 OD1 ASN C 286 -20.627 32.949 68.653 1.00 30.63 O +ATOM 7062 ND2 ASN C 286 -19.531 34.941 68.940 1.00 33.06 N +ATOM 7063 N PHE C 287 -18.561 31.108 66.501 1.00 17.51 N +ATOM 7064 CA PHE C 287 -17.295 30.412 66.718 1.00 15.59 C +ATOM 7065 C PHE C 287 -17.236 29.136 65.947 1.00 15.33 C +ATOM 7066 O PHE C 287 -18.092 28.258 66.085 1.00 15.93 O +ATOM 7067 CB PHE C 287 -17.037 30.197 68.170 1.00 15.48 C +ATOM 7068 CG PHE C 287 -15.710 29.650 68.406 1.00 17.86 C +ATOM 7069 CD1 PHE C 287 -14.617 30.433 68.237 1.00 20.08 C +ATOM 7070 CD2 PHE C 287 -15.512 28.333 68.757 1.00 20.93 C +ATOM 7071 CE1 PHE C 287 -13.357 29.960 68.453 1.00 22.08 C +ATOM 7072 CE2 PHE C 287 -14.216 27.834 68.950 1.00 21.17 C +ATOM 7073 CZ PHE C 287 -13.129 28.641 68.765 1.00 23.19 C +ATOM 7074 N ARG C 288 -16.265 29.046 65.056 1.00 14.15 N +ATOM 7075 CA ARG C 288 -16.145 27.935 64.152 1.00 14.41 C +ATOM 7076 C ARG C 288 -14.663 27.531 63.891 1.00 14.00 C +ATOM 7077 O ARG C 288 -13.703 28.292 64.079 1.00 14.70 O +ATOM 7078 CB ARG C 288 -16.791 28.235 62.778 1.00 14.94 C +ATOM 7079 CG ARG C 288 -15.976 29.265 61.984 1.00 14.92 C +ATOM 7080 CD ARG C 288 -16.644 29.692 60.772 1.00 15.64 C +ATOM 7081 NE ARG C 288 -17.416 30.926 61.042 1.00 16.83 N +ATOM 7082 CZ ARG C 288 -18.041 31.620 60.107 1.00 16.78 C +ATOM 7083 NH1 ARG C 288 -17.818 31.403 58.864 1.00 15.92 N +ATOM 7084 NH2 ARG C 288 -18.756 32.713 60.442 1.00 18.42 N +ATOM 7085 N SER C 289 -14.508 26.269 63.500 1.00 14.26 N +ATOM 7086 CA SER C 289 -13.248 25.756 63.021 1.00 14.94 C +ATOM 7087 C SER C 289 -13.375 25.261 61.595 1.00 14.25 C +ATOM 7088 O SER C 289 -14.418 24.882 61.105 1.00 15.61 O +ATOM 7089 CB SER C 289 -12.693 24.663 63.907 1.00 17.12 C +ATOM 7090 OG SER C 289 -13.566 23.571 63.856 1.00 18.46 O +ATOM 7091 N TYR C 290 -12.256 25.211 60.870 1.00 13.68 N +ATOM 7092 CA TYR C 290 -12.298 24.637 59.551 1.00 13.47 C +ATOM 7093 C TYR C 290 -10.922 24.072 59.094 1.00 14.96 C +ATOM 7094 O TYR C 290 -9.840 24.408 59.634 1.00 13.25 O +ATOM 7095 CB TYR C 290 -12.831 25.607 58.468 1.00 13.18 C +ATOM 7096 CG TYR C 290 -12.072 26.923 58.342 1.00 12.36 C +ATOM 7097 CD1 TYR C 290 -10.906 26.986 57.580 1.00 13.65 C +ATOM 7098 CD2 TYR C 290 -12.542 28.098 58.924 1.00 14.67 C +ATOM 7099 CE1 TYR C 290 -10.204 28.196 57.426 1.00 14.13 C +ATOM 7100 CE2 TYR C 290 -11.817 29.315 58.767 1.00 14.05 C +ATOM 7101 CZ TYR C 290 -10.690 29.307 58.018 1.00 13.48 C +ATOM 7102 OH TYR C 290 -10.045 30.561 57.905 1.00 16.23 O +ATOM 7103 N ILE C 291 -11.050 23.186 58.137 1.00 13.81 N +ATOM 7104 CA ILE C 291 -9.920 22.646 57.433 1.00 13.54 C +ATOM 7105 C ILE C 291 -10.202 22.585 55.965 1.00 13.35 C +ATOM 7106 O ILE C 291 -11.314 22.280 55.538 1.00 13.74 O +ATOM 7107 CB ILE C 291 -9.456 21.282 58.006 1.00 15.59 C +ATOM 7108 CG1 ILE C 291 -8.183 20.807 57.293 1.00 16.15 C +ATOM 7109 CG2 ILE C 291 -10.586 20.280 57.846 1.00 16.91 C +ATOM 7110 CD1 ILE C 291 -7.467 19.642 58.007 1.00 19.49 C +ATOM 7111 N SER C 292 -9.217 22.963 55.138 1.00 12.44 N +ATOM 7112 CA SER C 292 -9.463 23.090 53.700 1.00 12.18 C +ATOM 7113 C SER C 292 -8.184 22.637 52.922 1.00 14.06 C +ATOM 7114 O SER C 292 -7.068 22.831 53.380 1.00 14.13 O +ATOM 7115 CB SER C 292 -9.747 24.570 53.339 1.00 12.91 C +ATOM 7116 OG SER C 292 -10.080 24.777 52.022 1.00 14.00 O +ATOM 7117 N TYR C 293 -8.371 22.101 51.735 1.00 13.95 N +ATOM 7118 CA TYR C 293 -7.267 21.790 50.869 1.00 13.27 C +ATOM 7119 C TYR C 293 -7.577 22.190 49.479 1.00 12.77 C +ATOM 7120 O TYR C 293 -8.660 21.834 48.927 1.00 14.90 O +ATOM 7121 CB TYR C 293 -6.925 20.274 50.935 1.00 14.07 C +ATOM 7122 CG TYR C 293 -5.605 19.917 50.352 1.00 13.48 C +ATOM 7123 CD1 TYR C 293 -4.485 19.935 51.147 1.00 15.53 C +ATOM 7124 CD2 TYR C 293 -5.443 19.577 49.011 1.00 14.84 C +ATOM 7125 CE1 TYR C 293 -3.242 19.597 50.654 1.00 15.50 C +ATOM 7126 CE2 TYR C 293 -4.170 19.289 48.513 1.00 14.91 C +ATOM 7127 CZ TYR C 293 -3.093 19.293 49.390 1.00 14.85 C +ATOM 7128 OH TYR C 293 -1.872 18.961 48.873 1.00 16.96 O +ATOM 7129 N GLN C 294 -6.616 22.882 48.819 1.00 12.47 N +ATOM 7130 CA GLN C 294 -6.648 23.208 47.459 1.00 12.00 C +ATOM 7131 C GLN C 294 -5.699 22.351 46.647 1.00 14.12 C +ATOM 7132 O GLN C 294 -4.491 22.433 46.825 1.00 14.80 O +ATOM 7133 CB GLN C 294 -6.367 24.710 47.209 1.00 12.95 C +ATOM 7134 CG GLN C 294 -6.429 25.155 45.768 1.00 14.12 C +ATOM 7135 CD GLN C 294 -6.309 26.633 45.645 1.00 17.99 C +ATOM 7136 OE1 GLN C 294 -5.183 27.094 45.595 1.00 25.69 O +ATOM 7137 NE2 GLN C 294 -7.360 27.340 45.539 1.00 16.60 N +ATOM 7138 N PHE C 295 -6.275 21.512 45.786 1.00 12.64 N +ATOM 7139 CA PHE C 295 -5.539 20.767 44.792 1.00 13.66 C +ATOM 7140 C PHE C 295 -5.344 21.714 43.587 1.00 13.42 C +ATOM 7141 O PHE C 295 -6.257 22.030 42.809 1.00 14.46 O +ATOM 7142 CB PHE C 295 -6.307 19.514 44.313 1.00 14.75 C +ATOM 7143 CG PHE C 295 -6.590 18.551 45.391 1.00 15.25 C +ATOM 7144 CD1 PHE C 295 -7.741 18.617 46.167 1.00 16.84 C +ATOM 7145 CD2 PHE C 295 -5.674 17.554 45.648 1.00 18.51 C +ATOM 7146 CE1 PHE C 295 -7.990 17.672 47.124 1.00 17.11 C +ATOM 7147 CE2 PHE C 295 -5.906 16.628 46.625 1.00 18.31 C +ATOM 7148 CZ PHE C 295 -7.038 16.686 47.393 1.00 16.46 C +ATOM 7149 N ASN C 296 -4.102 22.184 43.459 1.00 13.40 N +ATOM 7150 CA ASN C 296 -3.726 23.097 42.368 1.00 14.24 C +ATOM 7151 C ASN C 296 -3.318 22.324 41.144 1.00 15.40 C +ATOM 7152 O ASN C 296 -2.319 21.560 41.212 1.00 16.45 O +ATOM 7153 CB ASN C 296 -2.624 24.016 42.874 1.00 13.60 C +ATOM 7154 CG ASN C 296 -2.188 25.018 41.883 1.00 14.82 C +ATOM 7155 OD1 ASN C 296 -2.409 24.917 40.677 1.00 15.82 O +ATOM 7156 ND2 ASN C 296 -1.536 26.079 42.376 1.00 16.61 N +ATOM 7157 N LEU C 297 -4.172 22.348 40.143 1.00 16.42 N +ATOM 7158 CA LEU C 297 -4.025 21.373 39.006 1.00 16.60 C +ATOM 7159 C LEU C 297 -3.070 21.965 37.976 1.00 17.69 C +ATOM 7160 O LEU C 297 -2.871 21.335 36.940 1.00 20.31 O +ATOM 7161 CB LEU C 297 -5.394 21.100 38.340 1.00 19.84 C +ATOM 7162 CG LEU C 297 -6.485 20.642 39.332 1.00 22.89 C +ATOM 7163 CD1 LEU C 297 -7.777 20.331 38.601 1.00 25.06 C +ATOM 7164 CD2 LEU C 297 -6.090 19.434 40.128 1.00 25.73 C +ATOM 7165 N LEU C 298 -2.615 23.196 38.136 1.00 16.15 N +ATOM 7166 CA LEU C 298 -1.579 23.730 37.200 1.00 18.61 C +ATOM 7167 C LEU C 298 -0.346 22.844 37.321 1.00 21.01 C +ATOM 7168 O LEU C 298 -0.118 22.253 38.385 1.00 22.52 O +ATOM 7169 CB LEU C 298 -1.218 25.112 37.509 1.00 18.46 C +ATOM 7170 CG LEU C 298 -2.254 26.166 37.329 1.00 19.82 C +ATOM 7171 CD1 LEU C 298 -1.801 27.460 37.939 1.00 22.12 C +ATOM 7172 CD2 LEU C 298 -2.604 26.318 35.821 1.00 22.46 C +ATOM 7173 N ASP C 299 0.392 22.723 36.226 1.00 28.89 N +ATOM 7174 CA ASP C 299 1.610 21.840 36.256 1.00 30.83 C +ATOM 7175 C ASP C 299 2.669 22.530 35.450 1.00 28.37 C +ATOM 7176 O ASP C 299 2.462 23.674 35.006 1.00 29.13 O +ATOM 7177 CB ASP C 299 1.261 20.421 35.786 1.00 34.40 C +ATOM 7178 CG ASP C 299 2.194 19.361 36.331 1.00 49.32 C +ATOM 7179 OD1 ASP C 299 3.398 19.676 36.601 1.00 57.71 O +ATOM 7180 OD2 ASP C 299 1.760 18.180 36.449 1.00 57.17 O +ATOM 7181 N SER C 300 3.848 21.868 35.293 1.00 36.21 N +ATOM 7182 CA SER C 300 5.060 22.505 34.663 1.00 34.54 C +ATOM 7183 C SER C 300 4.956 22.852 33.181 1.00 37.68 C +ATOM 7184 O SER C 300 5.660 23.730 32.706 1.00 40.75 O +ATOM 7185 CB SER C 300 6.271 21.621 34.911 1.00 33.79 C +ATOM 7186 OG SER C 300 6.029 20.387 34.294 1.00 37.93 O +ATOM 7187 N ASP C 301 4.028 22.219 32.469 1.00 41.76 N +ATOM 7188 CA ASP C 301 3.660 22.627 31.099 1.00 44.49 C +ATOM 7189 C ASP C 301 2.976 24.039 31.011 1.00 48.01 C +ATOM 7190 O ASP C 301 2.906 24.649 29.911 1.00 46.80 O +ATOM 7191 CB ASP C 301 2.763 21.534 30.489 1.00 46.11 C +ATOM 7192 CG ASP C 301 1.516 21.271 31.324 1.00 52.92 C +ATOM 7193 OD1 ASP C 301 1.639 21.051 32.553 1.00 52.84 O +ATOM 7194 OD2 ASP C 301 0.405 21.281 30.760 1.00 66.72 O +ATOM 7195 N LYS C 302 2.463 24.556 32.143 1.00 36.10 N +ATOM 7196 CA LYS C 302 1.711 25.800 32.122 1.00 37.22 C +ATOM 7197 C LYS C 302 2.094 26.799 33.186 1.00 37.03 C +ATOM 7198 O LYS C 302 1.652 27.952 33.108 1.00 34.86 O +ATOM 7199 CB LYS C 302 0.179 25.547 32.278 1.00 36.13 C +ATOM 7200 CG LYS C 302 -0.512 24.784 31.166 1.00 41.94 C +ATOM 7201 CD LYS C 302 -2.014 24.825 31.431 1.00 38.05 C +ATOM 7202 CE LYS C 302 -2.811 23.927 30.507 1.00 41.32 C +ATOM 7203 NZ LYS C 302 -4.266 24.216 30.750 1.00 41.14 N +ATOM 7204 N ALA C 303 2.877 26.409 34.195 1.00 28.98 N +ATOM 7205 CA ALA C 303 3.080 27.315 35.280 1.00 26.26 C +ATOM 7206 C ALA C 303 4.370 26.890 36.046 1.00 23.52 C +ATOM 7207 O ALA C 303 4.866 25.774 35.908 1.00 27.82 O +ATOM 7208 CB ALA C 303 1.880 27.243 36.229 1.00 25.71 C +ATOM 7209 N SER C 304 4.834 27.805 36.853 1.00 23.27 N +ATOM 7210 CA SER C 304 6.031 27.536 37.675 1.00 26.41 C +ATOM 7211 C SER C 304 5.646 26.588 38.780 1.00 25.22 C +ATOM 7212 O SER C 304 4.439 26.395 39.107 1.00 25.47 O +ATOM 7213 CB SER C 304 6.520 28.848 38.256 1.00 25.37 C +ATOM 7214 OG SER C 304 5.719 29.336 39.349 1.00 25.79 O +ATOM 7215 N LYS C 305 6.671 25.999 39.386 1.00 24.47 N +ATOM 7216 CA LYS C 305 6.450 25.125 40.552 1.00 22.84 C +ATOM 7217 C LYS C 305 5.722 25.826 41.674 1.00 21.84 C +ATOM 7218 O LYS C 305 4.783 25.288 42.260 1.00 20.16 O +ATOM 7219 CB LYS C 305 7.757 24.625 41.073 1.00 22.61 C +ATOM 7220 CG LYS C 305 7.645 23.849 42.385 1.00 25.72 C +ATOM 7221 CD LYS C 305 8.993 23.457 42.976 1.00 31.79 C +ATOM 7222 CE LYS C 305 8.821 22.427 44.103 1.00 38.30 C +ATOM 7223 NZ LYS C 305 10.057 22.418 44.892 1.00 47.63 N +ATOM 7224 N VAL C 306 6.097 27.045 42.023 1.00 19.67 N +ATOM 7225 CA VAL C 306 5.426 27.755 43.136 1.00 18.46 C +ATOM 7226 C VAL C 306 3.941 28.054 42.752 1.00 17.10 C +ATOM 7227 O VAL C 306 3.053 27.849 43.646 1.00 17.62 O +ATOM 7228 CB VAL C 306 6.152 29.064 43.501 1.00 21.15 C +ATOM 7229 CG1 VAL C 306 5.330 30.020 44.295 1.00 23.69 C +ATOM 7230 CG2 VAL C 306 7.447 28.678 44.234 1.00 21.56 C +ATOM 7231 N ALA C 307 3.755 28.405 41.515 1.00 19.42 N +ATOM 7232 CA ALA C 307 2.385 28.761 41.073 1.00 19.42 C +ATOM 7233 C ALA C 307 1.510 27.515 41.000 1.00 21.11 C +ATOM 7234 O ALA C 307 0.320 27.667 40.845 1.00 18.06 O +ATOM 7235 CB ALA C 307 2.407 29.359 39.725 1.00 21.90 C +ATOM 7236 N SER C 308 2.115 26.366 40.990 1.00 17.30 N +ATOM 7237 CA SER C 308 1.455 25.069 40.839 1.00 18.27 C +ATOM 7238 C SER C 308 1.274 24.381 42.168 1.00 17.02 C +ATOM 7239 O SER C 308 0.698 23.241 42.235 1.00 17.11 O +ATOM 7240 CB SER C 308 2.275 24.167 39.855 1.00 20.72 C +ATOM 7241 OG SER C 308 2.363 24.723 38.513 1.00 25.30 O +ATOM 7242 N GLU C 309 1.729 24.921 43.317 1.00 14.18 N +ATOM 7243 CA GLU C 309 1.667 24.223 44.582 1.00 15.43 C +ATOM 7244 C GLU C 309 0.272 24.172 45.226 1.00 16.09 C +ATOM 7245 O GLU C 309 -0.453 25.191 45.173 1.00 16.02 O +ATOM 7246 CB GLU C 309 2.519 24.902 45.641 1.00 19.67 C +ATOM 7247 CG GLU C 309 3.964 24.721 45.380 1.00 23.22 C +ATOM 7248 CD GLU C 309 4.526 23.384 45.824 1.00 23.81 C +ATOM 7249 OE1 GLU C 309 3.842 22.475 46.387 1.00 23.36 O +ATOM 7250 OE2 GLU C 309 5.747 23.344 45.616 1.00 31.31 O +ATOM 7251 N ASP C 310 -0.039 23.038 45.790 1.00 15.27 N +ATOM 7252 CA ASP C 310 -1.261 22.882 46.605 1.00 15.96 C +ATOM 7253 C ASP C 310 -1.198 23.666 47.910 1.00 17.05 C +ATOM 7254 O ASP C 310 -0.092 24.061 48.359 1.00 17.82 O +ATOM 7255 CB ASP C 310 -1.474 21.391 46.991 1.00 15.60 C +ATOM 7256 CG ASP C 310 -1.718 20.453 45.819 1.00 15.90 C +ATOM 7257 OD1 ASP C 310 -1.896 20.889 44.647 1.00 16.35 O +ATOM 7258 OD2 ASP C 310 -1.693 19.202 46.168 1.00 17.76 O +ATOM 7259 N GLU C 311 -2.318 23.751 48.617 1.00 15.59 N +ATOM 7260 CA GLU C 311 -2.332 24.425 49.955 1.00 15.01 C +ATOM 7261 C GLU C 311 -3.289 23.741 50.874 1.00 14.27 C +ATOM 7262 O GLU C 311 -4.428 23.560 50.497 1.00 14.65 O +ATOM 7263 CB GLU C 311 -2.718 25.906 49.800 1.00 14.56 C +ATOM 7264 CG GLU C 311 -2.697 26.661 51.081 1.00 14.45 C +ATOM 7265 CD GLU C 311 -3.102 28.139 50.922 1.00 15.80 C +ATOM 7266 OE1 GLU C 311 -3.931 28.425 50.012 1.00 15.84 O +ATOM 7267 OE2 GLU C 311 -2.677 28.932 51.803 1.00 16.49 O +ATOM 7268 N LEU C 312 -2.819 23.445 52.079 1.00 12.06 N +ATOM 7269 CA LEU C 312 -3.629 23.097 53.212 1.00 13.66 C +ATOM 7270 C LEU C 312 -3.888 24.355 54.085 1.00 15.39 C +ATOM 7271 O LEU C 312 -2.912 25.076 54.366 1.00 15.31 O +ATOM 7272 CB LEU C 312 -2.937 22.035 54.068 1.00 15.97 C +ATOM 7273 CG LEU C 312 -3.624 21.562 55.334 1.00 15.95 C +ATOM 7274 CD1 LEU C 312 -4.914 20.799 55.146 1.00 16.64 C +ATOM 7275 CD2 LEU C 312 -2.671 20.666 56.173 1.00 20.29 C +ATOM 7276 N ALA C 313 -5.103 24.563 54.582 1.00 13.79 N +ATOM 7277 CA ALA C 313 -5.366 25.621 55.538 1.00 14.71 C +ATOM 7278 C ALA C 313 -6.158 25.113 56.708 1.00 14.73 C +ATOM 7279 O ALA C 313 -7.067 24.295 56.510 1.00 14.91 O +ATOM 7280 CB ALA C 313 -6.127 26.741 54.874 1.00 15.22 C +ATOM 7281 N ILE C 314 -5.845 25.559 57.917 1.00 14.06 N +ATOM 7282 CA ILE C 314 -6.558 25.215 59.104 1.00 14.64 C +ATOM 7283 C ILE C 314 -6.944 26.524 59.770 1.00 15.13 C +ATOM 7284 O ILE C 314 -6.072 27.412 59.935 1.00 15.75 O +ATOM 7285 CB ILE C 314 -5.763 24.365 60.069 1.00 17.31 C +ATOM 7286 CG1 ILE C 314 -5.355 23.047 59.287 1.00 21.13 C +ATOM 7287 CG2 ILE C 314 -6.571 23.991 61.303 1.00 18.65 C +ATOM 7288 CD1 ILE C 314 -4.229 22.295 59.965 1.00 23.88 C +ATOM 7289 N GLY C 315 -8.209 26.651 60.151 1.00 13.54 N +ATOM 7290 CA GLY C 315 -8.661 27.886 60.743 1.00 12.86 C +ATOM 7291 C GLY C 315 -9.480 27.729 62.021 1.00 13.47 C +ATOM 7292 O GLY C 315 -10.184 26.723 62.229 1.00 14.30 O +ATOM 7293 N LEU C 316 -9.428 28.814 62.803 1.00 13.58 N +ATOM 7294 CA LEU C 316 -10.344 28.992 63.950 1.00 14.15 C +ATOM 7295 C LEU C 316 -10.844 30.420 63.894 1.00 13.74 C +ATOM 7296 O LEU C 316 -10.012 31.338 63.809 1.00 16.55 O +ATOM 7297 CB LEU C 316 -9.580 28.723 65.218 1.00 17.46 C +ATOM 7298 CG LEU C 316 -10.349 28.374 66.464 1.00 24.62 C +ATOM 7299 CD1 LEU C 316 -11.209 27.094 66.265 1.00 25.61 C +ATOM 7300 CD2 LEU C 316 -9.263 28.146 67.552 1.00 24.66 C +ATOM 7301 N ARG C 317 -12.143 30.599 63.821 1.00 14.23 N +ATOM 7302 CA ARG C 317 -12.699 31.933 63.595 1.00 14.29 C +ATOM 7303 C ARG C 317 -13.696 32.295 64.656 1.00 13.66 C +ATOM 7304 O ARG C 317 -14.740 31.600 64.811 1.00 13.12 O +ATOM 7305 CB ARG C 317 -13.276 31.986 62.192 1.00 14.01 C +ATOM 7306 CG ARG C 317 -13.958 33.334 61.876 1.00 13.81 C +ATOM 7307 CD ARG C 317 -14.514 33.362 60.496 1.00 14.62 C +ATOM 7308 NE ARG C 317 -15.474 34.475 60.373 1.00 14.25 N +ATOM 7309 CZ ARG C 317 -16.166 34.702 59.263 1.00 15.99 C +ATOM 7310 NH1 ARG C 317 -15.866 34.048 58.151 1.00 16.22 N +ATOM 7311 NH2 ARG C 317 -17.148 35.603 59.334 1.00 16.80 N +ATOM 7312 N TYR C 318 -13.444 33.414 65.338 1.00 14.38 N +ATOM 7313 CA TYR C 318 -14.374 34.030 66.312 1.00 13.86 C +ATOM 7314 C TYR C 318 -14.931 35.288 65.693 1.00 15.00 C +ATOM 7315 O TYR C 318 -14.174 36.124 65.211 1.00 14.96 O +ATOM 7316 CB TYR C 318 -13.621 34.327 67.608 1.00 14.30 C +ATOM 7317 CG TYR C 318 -14.588 34.777 68.666 1.00 16.89 C +ATOM 7318 CD1 TYR C 318 -15.145 36.053 68.633 1.00 17.96 C +ATOM 7319 CD2 TYR C 318 -15.142 33.852 69.562 1.00 19.50 C +ATOM 7320 CE1 TYR C 318 -16.174 36.389 69.492 1.00 19.41 C +ATOM 7321 CE2 TYR C 318 -16.140 34.199 70.437 1.00 19.05 C +ATOM 7322 CZ TYR C 318 -16.660 35.454 70.372 1.00 22.93 C +ATOM 7323 OH TYR C 318 -17.723 35.736 71.262 1.00 25.44 O +ATOM 7324 N ASP C 319 -16.260 35.402 65.602 1.00 14.32 N +ATOM 7325 CA ASP C 319 -16.954 36.616 65.120 1.00 15.72 C +ATOM 7326 C ASP C 319 -17.478 37.465 66.248 1.00 15.18 C +ATOM 7327 O ASP C 319 -18.185 36.971 67.152 1.00 16.22 O +ATOM 7328 CB ASP C 319 -18.053 36.262 64.166 1.00 14.86 C +ATOM 7329 CG ASP C 319 -17.579 35.597 62.878 1.00 18.91 C +ATOM 7330 OD1 ASP C 319 -17.112 36.297 61.985 1.00 19.89 O +ATOM 7331 OD2 ASP C 319 -17.887 34.346 62.763 1.00 23.11 O +ATOM 7332 N PHE C 320 -17.101 38.772 66.224 1.00 17.00 N +ATOM 7333 CA PHE C 320 -17.514 39.701 67.273 1.00 18.42 C +ATOM 7334 C PHE C 320 -18.975 40.035 67.034 1.00 21.85 C +ATOM 7335 O PHE C 320 -19.630 39.996 65.956 1.00 22.07 O +ATOM 7336 CB PHE C 320 -16.639 40.932 67.247 1.00 17.66 C +ATOM 7337 CG PHE C 320 -15.169 40.691 67.545 1.00 17.78 C +ATOM 7338 CD1 PHE C 320 -14.773 39.986 68.689 1.00 20.88 C +ATOM 7339 CD2 PHE C 320 -14.164 41.121 66.728 1.00 17.92 C +ATOM 7340 CE1 PHE C 320 -13.425 39.772 68.974 1.00 19.02 C +ATOM 7341 CE2 PHE C 320 -12.836 40.990 67.015 1.00 18.83 C +ATOM 7342 CZ PHE C 320 -12.444 40.276 68.120 1.00 19.58 C +ATOM 7343 OXT PHE C 320 -19.578 40.373 68.137 1.00 25.65 O +TER 7344 PHE C 320 +HETATM 7345 C2 C8E A 401 -22.824 63.280 43.408 1.00 35.44 C +HETATM 7346 C3 C8E A 401 -23.079 62.866 44.874 1.00 27.59 C +HETATM 7347 C4 C8E A 401 -21.921 62.789 45.864 1.00 25.57 C +HETATM 7348 C5 C8E A 401 -22.275 62.446 47.287 1.00 24.83 C +HETATM 7349 C6 C8E A 401 -21.142 62.570 48.261 1.00 22.73 C +HETATM 7350 C7 C8E A 401 -21.617 62.345 49.638 1.00 22.06 C +HETATM 7351 C2 C8E A 402 -14.590 90.582 79.223 1.00 34.85 C +HETATM 7352 C3 C8E A 402 -14.709 91.085 80.672 1.00 34.96 C +HETATM 7353 C4 C8E A 402 -16.107 90.819 81.248 1.00 32.58 C +HETATM 7354 C5 C8E A 402 -16.401 91.362 82.626 1.00 30.17 C +HETATM 7355 C6 C8E A 402 -17.828 91.043 82.996 1.00 30.47 C +HETATM 7356 C7 C8E A 402 -18.385 91.918 84.108 1.00 39.78 C +HETATM 7357 C8 C8E A 402 -19.708 91.438 84.678 1.00 39.24 C +HETATM 7358 O9 C8E A 402 -20.053 92.177 85.853 1.00 40.14 O +HETATM 7359 C10 C8E A 402 -21.433 92.106 86.183 1.00 42.36 C +HETATM 7360 C11 C8E A 402 -21.734 92.870 87.473 1.00 43.96 C +HETATM 7361 O12 C8E A 402 -22.751 92.140 88.192 1.00 53.01 O +HETATM 7362 C13 C8E A 402 -24.041 92.164 87.588 1.00 51.54 C +HETATM 7363 C1 C8E A 403 -25.532 91.457 80.674 1.00 36.93 C +HETATM 7364 C2 C8E A 403 -25.262 92.490 79.625 1.00 30.70 C +HETATM 7365 C3 C8E A 403 -24.021 92.258 78.845 1.00 26.89 C +HETATM 7366 C4 C8E A 403 -23.638 93.058 77.626 1.00 29.81 C +HETATM 7367 C5 C8E A 403 -22.181 93.437 77.546 1.00 34.26 C +HETATM 7368 C6 C8E A 403 -21.835 94.085 76.212 1.00 26.77 C +HETATM 7369 C7 C8E A 403 -20.359 94.317 76.138 1.00 29.35 C +HETATM 7370 C8 C8E A 403 -19.860 95.302 75.110 1.00 30.09 C +HETATM 7371 O9 C8E A 403 -18.527 95.872 75.427 1.00 34.52 O +HETATM 7372 C10 C8E A 403 -17.504 94.904 75.112 1.00 33.38 C +HETATM 7373 C11 C8E A 403 -16.095 95.280 75.475 1.00 33.41 C +HETATM 7374 C2 C8E A 404 -30.758 72.060 52.477 1.00 41.64 C +HETATM 7375 C3 C8E A 404 -30.100 70.812 51.934 1.00 37.27 C +HETATM 7376 C4 C8E A 404 -28.577 70.520 52.004 1.00 38.00 C +HETATM 7377 C5 C8E A 404 -28.026 69.690 50.809 1.00 33.07 C +HETATM 7378 C6 C8E A 404 -27.783 68.201 50.847 1.00 40.94 C +HETATM 7379 C13 C8E A 405 -4.396 88.588 73.874 1.00 44.67 C +HETATM 7380 C14 C8E A 405 -3.349 88.861 74.937 1.00 49.28 C +HETATM 7381 O15 C8E A 405 -2.023 88.537 74.484 1.00 48.94 O +HETATM 7382 C16 C8E A 405 -1.317 89.449 73.653 1.00 51.68 C +HETATM 7383 C17 C8E A 405 0.196 89.308 73.824 1.00 53.33 C +HETATM 7384 O18 C8E A 405 0.865 89.590 72.577 1.00 61.44 O +HETATM 7385 C19 C8E A 405 1.628 90.794 72.566 1.00 59.51 C +HETATM 7386 C20 C8E A 405 2.067 91.127 71.149 1.00 63.71 C +HETATM 7387 O21 C8E A 405 3.180 92.052 71.198 1.00 63.35 O +HETATM 7388 C1 C8E A 406 -12.030 91.553 62.064 1.00 50.32 C +HETATM 7389 C2 C8E A 406 -13.056 91.056 63.098 1.00 52.56 C +HETATM 7390 C3 C8E A 406 -12.477 90.877 64.504 1.00 49.93 C +HETATM 7391 C4 C8E A 406 -13.494 90.997 65.656 1.00 50.32 C +HETATM 7392 C5 C8E A 406 -12.703 90.960 66.955 1.00 50.16 C +HETATM 7393 C6 C8E A 406 -13.489 91.394 68.199 1.00 50.77 C +HETATM 7394 C7 C8E A 406 -12.607 91.822 69.388 1.00 46.99 C +HETATM 7395 C8 C8E A 406 -13.226 91.777 70.807 1.00 50.27 C +HETATM 7396 O9 C8E A 406 -12.422 90.904 71.637 1.00 52.34 O +HETATM 7397 C10 C8E A 406 -12.446 91.009 73.061 1.00 51.34 C +HETATM 7398 C5 C8E A 407 -28.864 93.890 77.974 1.00 41.21 C +HETATM 7399 C6 C8E A 407 -28.480 93.485 76.556 1.00 41.42 C +HETATM 7400 C7 C8E A 407 -27.185 94.007 75.941 1.00 39.33 C +HETATM 7401 C8 C8E A 407 -26.870 93.268 74.625 1.00 39.20 C +HETATM 7402 O9 C8E A 407 -25.691 93.743 73.954 1.00 47.18 O +HETATM 7403 C10 C8E A 407 -25.305 93.087 72.712 1.00 42.42 C +HETATM 7404 C11 C8E A 407 -24.058 93.680 72.084 1.00 36.77 C +HETATM 7405 O12 C8E A 407 -23.704 93.158 70.808 1.00 40.03 O +HETATM 7406 C1 C8E B 401 -0.252 62.694 83.664 1.00 44.62 C +HETATM 7407 C2 C8E B 401 1.095 62.079 83.381 1.00 29.30 C +HETATM 7408 C3 C8E B 401 2.136 63.136 83.164 1.00 30.53 C +HETATM 7409 C4 C8E B 401 1.952 64.348 84.043 1.00 30.67 C +HETATM 7410 C5 C8E B 401 3.201 65.173 84.120 1.00 35.42 C +HETATM 7411 C6 C8E B 401 2.947 66.350 85.034 1.00 31.35 C +HETATM 7412 C7 C8E B 401 4.212 67.160 85.242 1.00 39.27 C +HETATM 7413 C8 C8E B 401 4.034 68.166 86.382 1.00 40.60 C +HETATM 7414 C1 C8E B 402 -7.280 37.816 78.597 1.00 40.89 C +HETATM 7415 C2 C8E B 402 -7.229 38.399 77.201 1.00 38.13 C +HETATM 7416 C3 C8E B 402 -5.852 38.292 76.583 1.00 34.33 C +HETATM 7417 C4 C8E B 402 -4.867 39.331 77.028 1.00 33.15 C +HETATM 7418 C5 C8E B 402 -3.490 38.865 76.664 1.00 35.47 C +HETATM 7419 C8 C8E B 403 -6.887 48.300 95.743 1.00 49.60 C +HETATM 7420 O9 C8E B 403 -5.782 48.705 94.922 1.00 54.94 O +HETATM 7421 C10 C8E B 403 -5.427 47.825 93.839 1.00 53.41 C +HETATM 7422 C11 C8E B 403 -3.905 47.692 93.814 1.00 54.22 C +HETATM 7423 O12 C8E B 403 -3.392 46.599 93.013 1.00 51.18 O +HETATM 7424 C13 C8E B 403 -2.055 46.154 93.361 1.00 46.06 C +HETATM 7425 C14 C8E B 403 -2.011 44.725 93.914 1.00 47.53 C +HETATM 7426 O15 C8E B 403 -3.135 43.890 93.619 1.00 54.43 O +HETATM 7427 C16 C8E B 403 -3.400 42.789 94.506 1.00 53.76 C +HETATM 7428 C2 C8E B 404 13.887 44.641 95.866 1.00 35.66 C +HETATM 7429 C3 C8E B 404 14.966 45.653 96.218 1.00 41.53 C +HETATM 7430 C4 C8E B 404 16.392 45.094 96.211 1.00 44.95 C +HETATM 7431 C5 C8E B 404 17.402 46.238 96.373 1.00 45.52 C +HETATM 7432 C6 C8E B 404 18.856 45.767 96.274 1.00 43.06 C +HETATM 7433 C7 C8E B 404 19.828 46.870 95.876 1.00 47.92 C +HETATM 7434 C8 C8E B 404 21.131 46.275 95.321 1.00 54.50 C +HETATM 7435 O9 C8E B 404 22.085 47.259 94.868 1.00 57.51 O +HETATM 7436 C10 C8E B 404 23.291 46.598 94.439 1.00 54.59 C +HETATM 7437 C1 C8E B 405 21.011 44.024 99.718 1.00117.23 C +HETATM 7438 C2 C8E B 405 22.049 43.166 99.012 1.00123.24 C +HETATM 7439 C3 C8E B 405 22.475 43.715 97.649 1.00124.65 C +HETATM 7440 C4 C8E B 405 23.406 42.806 96.835 1.00119.37 C +HETATM 7441 C5 C8E B 405 23.898 43.481 95.537 1.00112.60 C +HETATM 7442 C6 C8E B 405 25.000 42.678 94.828 1.00102.35 C +HETATM 7443 C7 C8E B 405 25.636 43.402 93.617 1.00 88.20 C +HETATM 7444 C8 C8E B 405 26.593 42.486 92.816 1.00 79.55 C +HETATM 7445 O9 C8E B 405 27.062 43.053 91.576 1.00 60.84 O +HETATM 7446 C10 C8E B 405 28.111 42.288 90.922 1.00 59.33 C +HETATM 7447 C11 C8E B 405 28.965 43.174 90.009 1.00 51.43 C +HETATM 7448 C7 C8E B 406 27.766 48.846 90.157 1.00 45.39 C +HETATM 7449 C8 C8E B 406 27.185 47.562 90.734 1.00 45.42 C +HETATM 7450 O9 C8E B 406 26.113 48.025 91.531 1.00 45.22 O +HETATM 7451 C10 C8E B 406 25.463 47.030 92.335 1.00 38.93 C +HETATM 7452 C13 C8E B 407 -0.032 58.281 98.172 1.00 44.96 C +HETATM 7453 C14 C8E B 407 1.056 58.115 97.121 1.00 52.48 C +HETATM 7454 O15 C8E B 407 0.498 58.250 95.798 1.00 54.74 O +HETATM 7455 C16 C8E B 407 1.430 57.964 94.746 1.00 50.97 C +HETATM 7456 C17 C8E B 407 0.988 58.393 93.334 1.00 49.12 C +HETATM 7457 O18 C8E B 407 1.746 59.554 92.931 1.00 55.49 O +HETATM 7458 C19 C8E B 407 1.410 60.187 91.699 1.00 47.14 C +HETATM 7459 C20 C8E B 407 1.886 61.636 91.806 1.00 53.79 C +HETATM 7460 O21 C8E B 407 2.064 62.205 90.513 1.00 54.83 O +HETATM 7461 C1 C8E C 401 -25.390 25.731 61.861 1.00 44.39 C +HETATM 7462 C2 C8E C 401 -24.982 27.026 61.212 1.00 45.23 C +HETATM 7463 C3 C8E C 401 -24.065 26.987 59.969 1.00 47.65 C +HETATM 7464 C4 C8E C 401 -24.371 28.070 58.940 1.00 43.45 C +HETATM 7465 C5 C8E C 401 -23.652 28.073 57.565 1.00 37.80 C +HETATM 7466 C6 C8E C 401 -24.384 27.467 56.366 1.00 33.01 C +HETATM 7467 C7 C8E C 401 -25.604 28.237 55.807 1.00 33.69 C +HETATM 7468 C8 C8E C 401 -27.030 27.666 55.768 1.00 46.18 C +HETATM 7469 C3 C8E C 402 -28.300 25.477 52.412 1.00 31.19 C +HETATM 7470 C4 C8E C 402 -27.259 24.362 52.224 1.00 32.05 C +HETATM 7471 C5 C8E C 402 -25.870 24.910 52.470 1.00 27.56 C +HETATM 7472 C6 C8E C 402 -24.665 24.039 52.174 1.00 26.79 C +HETATM 7473 C7 C8E C 402 -23.429 24.623 52.906 1.00 27.79 C +HETATM 7474 C8 C8E C 402 -22.855 25.879 52.280 1.00 31.27 C +HETATM 7475 O9 C8E C 402 -21.747 26.411 53.090 1.00 34.57 O +HETATM 7476 C1 C8E C 403 -33.466 57.259 49.710 1.00 46.25 C +HETATM 7477 C2 C8E C 403 -32.659 56.177 49.044 1.00 41.89 C +HETATM 7478 C3 C8E C 403 -33.092 56.089 47.607 1.00 44.55 C +HETATM 7479 C4 C8E C 403 -32.237 55.251 46.691 1.00 42.66 C +HETATM 7480 C5 C8E C 403 -31.923 56.033 45.425 1.00 43.43 C +HETATM 7481 C1 C8E C 404 -6.162 27.615 63.627 1.00 27.17 C +HETATM 7482 C2 C8E C 404 -4.888 27.060 63.234 1.00 26.79 C +HETATM 7483 C3 C8E C 404 -4.610 25.902 64.130 1.00 31.12 C +HETATM 7484 C4 C8E C 404 -3.405 25.142 63.664 1.00 37.60 C +HETATM 7485 C5 C8E C 404 -3.319 23.719 64.209 1.00 38.42 C +HETATM 7486 C6 C8E C 404 -1.902 23.173 64.146 1.00 45.87 C +HETATM 7487 C7 C8E C 404 -1.623 21.796 63.537 1.00 47.98 C +HETATM 7488 C8 C8E C 404 -0.685 21.909 62.315 1.00 51.90 C +HETATM 7489 O9 C8E C 404 0.443 21.032 62.290 1.00 52.03 O +HETATM 7490 C10 C8E C 404 1.170 21.090 61.039 1.00 53.45 C +HETATM 7491 C11 C8E C 404 2.540 20.373 61.009 1.00 50.92 C +HETATM 7492 O12 C8E C 404 3.283 20.714 59.816 1.00 56.43 O +HETATM 7493 C13 C8E C 404 4.350 19.795 59.536 1.00 52.13 C +HETATM 7494 C14 C8E C 404 5.176 20.253 58.341 1.00 50.62 C +HETATM 7495 C1 C8E C 405 -29.727 41.730 34.034 1.00179.61 C +HETATM 7496 C2 C8E C 405 -29.216 42.341 32.749 1.00187.63 C +HETATM 7497 C3 C8E C 405 -28.260 41.419 31.987 1.00197.99 C +HETATM 7498 C4 C8E C 405 -27.851 42.060 30.656 1.00212.87 C +HETATM 7499 C5 C8E C 405 -26.880 41.249 29.798 1.00223.10 C +HETATM 7500 C6 C8E C 405 -26.496 42.121 28.607 1.00235.44 C +HETATM 7501 C7 C8E C 405 -25.192 41.751 27.902 1.00243.24 C +HETATM 7502 C8 C8E C 405 -24.823 42.705 26.732 1.00247.79 C +HETATM 7503 O9 C8E C 405 -23.603 42.386 26.049 1.00221.96 O +HETATM 7504 C10 C8E C 405 -23.083 43.478 25.280 1.00219.18 C +HETATM 7505 C1 C8E C 406 -32.633 38.605 36.668 1.00 47.94 C +HETATM 7506 C2 C8E C 406 -31.174 38.380 36.388 1.00 44.33 C +HETATM 7507 C3 C8E C 406 -30.898 37.342 35.306 1.00 48.10 C +HETATM 7508 C4 C8E C 406 -30.608 37.912 33.913 1.00 45.62 C +HETATM 7509 C5 C8E C 406 -30.100 36.858 32.926 1.00 47.94 C +HETATM 7510 C6 C8E C 406 -29.184 37.531 31.890 1.00 48.52 C +HETATM 7511 C7 C8E C 406 -28.811 36.656 30.704 1.00 48.45 C +HETATM 7512 C1 C8E C 407 -18.291 21.420 42.689 1.00 39.00 C +HETATM 7513 C2 C8E C 407 -17.219 20.434 42.375 1.00 41.36 C +HETATM 7514 C3 C8E C 407 -17.379 19.940 40.917 1.00 42.24 C +HETATM 7515 C4 C8E C 407 -16.119 19.201 40.474 1.00 45.07 C +HETATM 7516 C5 C8E C 407 -15.796 19.192 38.962 1.00 46.24 C +HETATM 7517 C6 C8E C 407 -14.322 18.814 38.754 1.00 46.46 C +HETATM 7518 C7 C8E C 407 -13.649 19.057 37.378 1.00 48.26 C +HETATM 7519 C8 C8E C 407 -12.151 18.639 37.320 1.00 51.11 C +HETATM 7520 O9 C8E C 407 -11.626 18.376 38.653 1.00 57.58 O +HETATM 7521 C10 C8E C 407 -10.560 17.432 38.867 1.00 52.30 C +HETATM 7522 C11 C8E C 407 -10.980 16.503 40.013 1.00 54.35 C +HETATM 7523 C1 C8E C 408 -23.560 16.331 47.345 1.00 45.09 C +HETATM 7524 C2 C8E C 408 -22.444 17.321 47.067 1.00 45.44 C +HETATM 7525 C3 C8E C 408 -21.843 18.015 48.294 1.00 42.56 C +HETATM 7526 C4 C8E C 408 -20.397 17.632 48.531 1.00 47.08 C +HETATM 7527 C5 C8E C 408 -19.472 18.725 49.074 1.00 48.64 C +HETATM 7528 C6 C8E C 408 -18.468 18.217 50.136 1.00 48.41 C +HETATM 7529 C7 C8E C 408 -16.968 17.952 49.843 1.00 49.56 C +HETATM 7530 C8 C8E C 408 -16.327 16.870 50.752 1.00 50.86 C +HETATM 7531 O9 C8E C 408 -15.455 17.338 51.814 1.00 49.50 O +HETATM 7532 C10 C8E C 408 -15.076 16.368 52.819 1.00 47.76 C +HETATM 7533 C8 C8E C 409 -20.054 16.995 63.442 1.00 42.47 C +HETATM 7534 O9 C8E C 409 -18.727 16.412 63.447 1.00 49.04 O +HETATM 7535 C10 C8E C 409 -17.606 17.265 63.024 1.00 48.26 C +HETATM 7536 C11 C8E C 409 -17.472 17.644 61.521 1.00 46.19 C +HETATM 7537 O12 C8E C 409 -16.149 18.043 61.088 1.00 52.51 O +HETATM 7538 C13 C8E C 409 -15.710 19.417 61.043 1.00 39.41 C +HETATM 7539 C14 C8E C 409 -14.287 19.654 61.537 1.00 41.44 C +HETATM 7540 O15 C8E C 409 -13.768 20.911 61.043 1.00 40.22 O +HETATM 7541 C16 C8E C 409 -12.690 21.559 61.726 1.00 38.95 C +HETATM 7542 C17 C8E C 409 -11.328 20.951 61.612 1.00 39.98 C +HETATM 7543 O18 C8E C 409 -10.288 21.847 62.097 1.00 45.90 O +HETATM 7544 C19 C8E C 409 -10.192 21.943 63.516 1.00 41.96 C +HETATM 7545 C20 C8E C 409 -9.149 22.935 63.961 1.00 44.25 C +HETATM 7546 O21 C8E C 409 -9.161 23.020 65.411 1.00 50.52 O +HETATM 7547 O HOH A 501 -9.542 59.486 50.008 1.00 15.23 O +HETATM 7548 O HOH A 502 -16.402 65.709 96.977 1.00 35.18 O +HETATM 7549 O HOH A 503 -9.623 82.138 41.860 1.00 28.45 O +HETATM 7550 O HOH A 504 -20.468 46.809 85.409 1.00 45.60 O +HETATM 7551 O HOH A 505 0.140 48.125 55.892 1.00 43.34 O +HETATM 7552 O HOH A 506 8.178 76.375 66.807 1.00 41.67 O +HETATM 7553 O HOH A 507 -15.846 75.633 71.041 1.00 36.41 O +HETATM 7554 O HOH A 508 -24.116 63.883 61.355 1.00 20.29 O +HETATM 7555 O HOH A 509 14.192 70.695 77.835 1.00 31.72 O +HETATM 7556 O HOH A 510 -21.678 87.353 83.279 1.00 36.88 O +HETATM 7557 O HOH A 511 -30.475 59.762 65.574 1.00 36.52 O +HETATM 7558 O HOH A 512 -18.818 62.848 65.932 1.00 18.58 O +HETATM 7559 O HOH A 513 -4.497 44.296 52.956 1.00 28.80 O +HETATM 7560 O HOH A 514 7.924 79.819 74.635 1.00 40.73 O +HETATM 7561 O HOH A 515 -11.455 80.992 41.189 1.00 30.27 O +HETATM 7562 O HOH A 516 -12.005 72.668 63.026 1.00 31.31 O +HETATM 7563 O HOH A 517 1.102 76.255 62.235 1.00 37.87 O +HETATM 7564 O HOH A 518 -3.411 65.066 63.404 1.00 21.38 O +HETATM 7565 O HOH A 519 -13.716 73.247 60.039 1.00 20.19 O +HETATM 7566 O HOH A 520 -8.128 49.276 38.511 1.00 29.62 O +HETATM 7567 O HOH A 521 -23.705 47.935 75.904 1.00 36.72 O +HETATM 7568 O HOH A 522 -14.164 66.914 79.715 1.00 37.92 O +HETATM 7569 O HOH A 523 -35.326 59.537 66.664 1.00 33.20 O +HETATM 7570 O HOH A 524 -4.571 78.182 47.606 1.00 31.99 O +HETATM 7571 O HOH A 525 -0.847 93.277 66.023 1.00 27.48 O +HETATM 7572 O HOH A 526 -11.893 75.913 65.208 1.00 19.79 O +HETATM 7573 O HOH A 527 -17.451 73.929 61.503 1.00 19.04 O +HETATM 7574 O HOH A 528 -29.354 87.191 71.395 1.00 43.72 O +HETATM 7575 O HOH A 529 -2.384 47.892 54.406 1.00 25.82 O +HETATM 7576 O HOH A 530 -28.902 90.551 72.918 1.00 32.36 O +HETATM 7577 O HOH A 531 -16.464 58.874 72.581 1.00 22.66 O +HETATM 7578 O HOH A 532 3.179 75.232 64.601 1.00 26.09 O +HETATM 7579 O HOH A 533 -14.540 72.897 66.400 1.00 32.67 O +HETATM 7580 O HOH A 534 -25.698 84.361 75.976 1.00 34.43 O +HETATM 7581 O HOH A 535 -24.668 82.577 80.075 1.00 36.36 O +HETATM 7582 O HOH A 536 -25.408 58.597 70.482 1.00 28.95 O +HETATM 7583 O HOH A 537 -9.229 65.077 58.101 1.00 35.91 O +HETATM 7584 O HOH A 538 -4.597 89.958 52.054 1.00 37.47 O +HETATM 7585 O HOH A 539 -15.113 82.106 41.290 1.00 34.29 O +HETATM 7586 O HOH A 540 -13.336 78.861 53.185 1.00 22.58 O +HETATM 7587 O HOH A 541 -5.204 60.610 40.301 1.00 28.35 O +HETATM 7588 O HOH A 542 -24.292 74.849 56.874 1.00 17.16 O +HETATM 7589 O HOH A 543 -2.640 81.162 54.407 1.00 24.87 O +HETATM 7590 O HOH A 544 -10.701 76.329 46.653 1.00 29.32 O +HETATM 7591 O HOH A 545 -18.731 74.210 54.178 1.00 15.64 O +HETATM 7592 O HOH A 546 -11.834 64.940 78.183 1.00 23.91 O +HETATM 7593 O HOH A 547 -14.416 65.668 34.900 1.00 38.79 O +HETATM 7594 O HOH A 548 9.696 81.613 72.084 1.00 30.81 O +HETATM 7595 O HOH A 549 14.948 57.605 76.032 1.00 37.73 O +HETATM 7596 O HOH A 550 9.572 78.218 73.245 1.00 37.71 O +HETATM 7597 O HOH A 551 -11.956 74.427 55.266 1.00 28.41 O +HETATM 7598 O HOH A 552 13.717 71.985 66.557 1.00 46.50 O +HETATM 7599 O HOH A 553 21.214 69.694 68.501 1.00 39.93 O +HETATM 7600 O HOH A 554 -12.529 74.628 40.469 1.00 27.62 O +HETATM 7601 O HOH A 555 9.924 84.635 65.547 1.00 38.10 O +HETATM 7602 O HOH A 556 -18.988 82.154 70.217 1.00 33.09 O +HETATM 7603 O HOH A 557 1.097 90.719 58.357 1.00 40.91 O +HETATM 7604 O HOH A 558 -24.904 84.734 83.806 1.00 44.85 O +HETATM 7605 O HOH A 559 -14.044 80.628 58.976 1.00 18.47 O +HETATM 7606 O HOH A 560 -7.236 77.069 62.749 1.00 17.86 O +HETATM 7607 O HOH A 561 -8.003 75.053 57.239 1.00 37.57 O +HETATM 7608 O HOH A 562 -8.809 74.122 62.980 1.00 36.72 O +HETATM 7609 O HOH A 563 -17.925 61.015 73.532 1.00 31.82 O +HETATM 7610 O HOH A 564 -23.531 60.030 69.284 1.00 39.08 O +HETATM 7611 O HOH A 565 -8.217 69.399 67.032 1.00 31.64 O +HETATM 7612 O HOH A 566 -2.000 63.019 65.373 1.00 17.89 O +HETATM 7613 O HOH A 567 -10.196 66.708 74.197 1.00 34.09 O +HETATM 7614 O HOH A 568 -21.292 69.226 59.193 1.00 20.09 O +HETATM 7615 O HOH A 569 -4.133 80.643 56.691 1.00 20.98 O +HETATM 7616 O HOH A 570 -6.265 61.527 58.104 1.00 19.14 O +HETATM 7617 O HOH A 571 -6.596 63.928 61.228 1.00 20.89 O +HETATM 7618 O HOH A 572 -6.382 70.490 64.718 1.00 30.30 O +HETATM 7619 O HOH A 573 -22.463 84.277 70.623 1.00 23.07 O +HETATM 7620 O HOH A 574 -18.733 68.148 58.740 1.00 16.51 O +HETATM 7621 O HOH A 575 -6.396 88.124 46.685 1.00 32.83 O +HETATM 7622 O HOH A 576 -15.688 76.663 59.063 1.00 15.37 O +HETATM 7623 O HOH A 577 -11.785 79.579 62.155 1.00 16.85 O +HETATM 7624 O HOH A 578 -35.907 64.354 59.808 1.00 34.27 O +HETATM 7625 O HOH A 579 6.780 64.533 70.424 1.00 16.89 O +HETATM 7626 O HOH A 580 -13.292 70.342 62.536 1.00 41.54 O +HETATM 7627 O HOH A 581 -23.693 70.612 64.256 1.00 21.30 O +HETATM 7628 O HOH A 582 -16.004 78.810 71.216 1.00 26.47 O +HETATM 7629 O HOH A 583 -0.607 73.491 64.231 1.00 19.16 O +HETATM 7630 O HOH A 584 -8.173 84.924 62.002 1.00 18.15 O +HETATM 7631 O HOH A 585 -3.750 52.063 44.170 1.00 27.12 O +HETATM 7632 O HOH A 586 -17.594 58.223 79.057 1.00 25.29 O +HETATM 7633 O HOH A 587 -16.638 62.420 69.837 1.00 29.71 O +HETATM 7634 O HOH A 588 -3.833 57.753 40.066 1.00 34.05 O +HETATM 7635 O HOH A 589 12.833 77.108 72.754 1.00 43.48 O +HETATM 7636 O HOH A 590 -18.206 77.979 69.407 1.00 25.76 O +HETATM 7637 O HOH A 591 -7.651 81.214 48.739 1.00 19.86 O +HETATM 7638 O HOH A 592 -6.128 58.818 58.153 1.00 17.62 O +HETATM 7639 O HOH A 593 -6.723 73.009 37.037 1.00 31.43 O +HETATM 7640 O HOH A 594 12.091 68.904 77.804 1.00 21.63 O +HETATM 7641 O HOH A 595 -12.151 69.489 56.116 1.00 43.74 O +HETATM 7642 O HOH A 596 -15.281 75.694 79.466 1.00 38.27 O +HETATM 7643 O HOH A 597 -24.286 54.897 65.846 1.00 25.04 O +HETATM 7644 O HOH A 598 -16.360 62.498 64.734 1.00 15.84 O +HETATM 7645 O HOH A 599 -9.365 67.912 78.013 1.00 20.70 O +HETATM 7646 O HOH A 600 11.213 62.914 72.287 1.00 21.52 O +HETATM 7647 O HOH A 601 -8.540 59.407 47.077 1.00 35.05 O +HETATM 7648 O HOH A 602 -5.694 78.441 54.093 1.00 27.51 O +HETATM 7649 O HOH A 603 -9.894 79.972 39.670 1.00 40.41 O +HETATM 7650 O HOH A 604 -9.875 61.430 52.838 1.00 26.67 O +HETATM 7651 O HOH A 605 -5.678 57.353 52.463 1.00 32.10 O +HETATM 7652 O HOH A 606 -7.986 70.861 75.405 1.00 28.44 O +HETATM 7653 O HOH A 607 20.603 70.625 75.531 1.00 42.02 O +HETATM 7654 O HOH A 608 17.678 61.786 68.831 1.00 34.02 O +HETATM 7655 O HOH A 609 -2.731 66.996 76.949 1.00 18.26 O +HETATM 7656 O HOH A 610 -10.929 73.127 59.613 1.00 25.84 O +HETATM 7657 O HOH A 611 -14.261 73.951 85.104 1.00 42.61 O +HETATM 7658 O HOH A 612 -11.099 58.504 51.783 1.00 26.40 O +HETATM 7659 O HOH A 613 8.144 83.433 69.440 1.00 28.00 O +HETATM 7660 O HOH A 614 -6.952 69.315 46.221 1.00 32.17 O +HETATM 7661 O HOH A 615 -11.577 78.027 39.864 1.00 29.96 O +HETATM 7662 O HOH A 616 -19.709 60.854 67.836 1.00 17.97 O +HETATM 7663 O HOH A 617 -9.820 74.013 65.790 1.00 41.84 O +HETATM 7664 O HOH A 618 -14.041 81.402 53.609 1.00 18.35 O +HETATM 7665 O HOH A 619 -12.599 68.140 64.162 1.00 34.58 O +HETATM 7666 O HOH A 620 -7.043 74.102 70.032 1.00 22.11 O +HETATM 7667 O HOH A 621 -18.641 62.783 96.760 1.00 28.48 O +HETATM 7668 O HOH A 622 5.617 61.859 71.593 1.00 32.50 O +HETATM 7669 O HOH A 623 -3.779 53.091 48.933 1.00 37.25 O +HETATM 7670 O HOH A 624 -6.629 78.529 59.263 1.00 18.34 O +HETATM 7671 O HOH A 625 -11.773 57.227 53.339 1.00 33.25 O +HETATM 7672 O HOH A 626 -15.405 73.158 57.991 1.00 18.64 O +HETATM 7673 O HOH A 627 -19.484 80.390 68.912 1.00 37.39 O +HETATM 7674 O HOH A 628 30.051 62.315 69.278 1.00 31.21 O +HETATM 7675 O HOH A 629 -17.860 81.386 78.449 1.00 22.28 O +HETATM 7676 O HOH A 630 26.466 59.006 75.757 1.00 38.97 O +HETATM 7677 O HOH A 631 -15.977 68.192 56.457 1.00 19.82 O +HETATM 7678 O HOH A 632 -16.641 79.204 77.520 1.00 27.76 O +HETATM 7679 O HOH A 633 2.103 87.490 68.653 1.00 30.70 O +HETATM 7680 O HOH A 634 -12.414 72.645 74.877 1.00 30.62 O +HETATM 7681 O HOH A 635 -2.372 59.840 45.668 1.00 41.93 O +HETATM 7682 O HOH A 636 -3.920 75.760 62.014 1.00 27.86 O +HETATM 7683 O HOH A 637 10.688 72.182 77.907 1.00 31.50 O +HETATM 7684 O HOH A 638 -9.655 58.499 48.057 1.00 30.12 O +HETATM 7685 O HOH A 639 -7.860 69.820 79.374 1.00 28.31 O +HETATM 7686 O HOH A 640 7.115 88.727 56.966 1.00 36.61 O +HETATM 7687 O HOH A 641 -36.767 71.931 57.687 1.00 35.71 O +HETATM 7688 O HOH A 642 2.645 89.872 62.242 1.00 35.91 O +HETATM 7689 O HOH A 643 -1.741 52.177 52.275 1.00 26.35 O +HETATM 7690 O HOH A 644 -11.176 79.856 76.526 1.00 18.10 O +HETATM 7691 O HOH A 645 -13.408 56.523 50.933 1.00 15.81 O +HETATM 7692 O HOH A 646 3.049 84.251 51.102 1.00 45.76 O +HETATM 7693 O HOH A 647 -7.879 78.658 38.986 1.00 32.61 O +HETATM 7694 O HOH A 648 -9.258 74.685 72.046 1.00 20.46 O +HETATM 7695 O HOH A 649 18.762 69.397 69.204 1.00 37.29 O +HETATM 7696 O HOH A 650 1.866 88.766 56.642 1.00 28.34 O +HETATM 7697 O HOH A 651 -12.201 60.257 96.974 1.00 32.07 O +HETATM 7698 O HOH A 652 -24.187 63.467 70.692 1.00 40.62 O +HETATM 7699 O HOH A 653 -36.055 64.936 57.381 1.00 42.89 O +HETATM 7700 O HOH A 654 -13.279 57.715 96.147 1.00 37.56 O +HETATM 7701 O HOH A 655 -8.540 46.244 41.959 1.00 18.85 O +HETATM 7702 O HOH A 656 -4.621 54.791 52.454 1.00 28.41 O +HETATM 7703 O HOH A 657 15.229 66.693 67.251 1.00 31.75 O +HETATM 7704 O HOH A 658 -18.964 58.595 84.017 1.00 43.84 O +HETATM 7705 O HOH A 659 -25.231 57.842 74.861 1.00 30.23 O +HETATM 7706 O HOH A 660 -2.152 51.322 48.524 1.00 49.24 O +HETATM 7707 O HOH A 661 -9.298 68.442 48.433 1.00 24.45 O +HETATM 7708 O HOH A 662 -7.278 72.414 67.962 1.00 29.32 O +HETATM 7709 O HOH A 663 -2.540 48.111 47.657 1.00 23.37 O +HETATM 7710 O HOH A 664 8.618 63.577 73.015 1.00 19.87 O +HETATM 7711 O HOH A 665 -16.856 63.927 89.481 1.00 46.32 O +HETATM 7712 O HOH A 666 -10.182 67.825 55.436 1.00 43.19 O +HETATM 7713 O HOH A 667 -13.035 69.306 59.359 1.00 32.46 O +HETATM 7714 O HOH A 668 -7.726 68.557 62.327 1.00 36.58 O +HETATM 7715 O HOH A 669 -5.646 74.111 63.545 1.00 37.86 O +HETATM 7716 O HOH A 670 -0.041 78.393 37.260 1.00 42.08 O +HETATM 7717 O HOH A 671 -8.220 60.481 51.146 1.00 31.79 O +HETATM 7718 O HOH A 672 -13.581 67.918 66.708 1.00 26.96 O +HETATM 7719 O HOH A 673 -8.061 62.369 49.512 1.00 30.94 O +HETATM 7720 O HOH A 674 -7.137 78.422 51.540 1.00 27.89 O +HETATM 7721 O HOH A 675 -9.933 74.145 48.020 1.00 31.51 O +HETATM 7722 O HOH A 676 -11.458 66.347 66.771 1.00 28.10 O +HETATM 7723 O HOH A 677 -5.268 66.456 48.043 1.00 34.82 O +HETATM 7724 O HOH A 678 -12.866 76.222 78.791 1.00 23.26 O +HETATM 7725 O HOH A 679 -21.542 68.608 64.747 1.00 26.75 O +HETATM 7726 O HOH A 680 -5.887 73.595 76.380 1.00 21.45 O +HETATM 7727 O HOH A 681 -15.568 71.904 39.914 1.00 38.33 O +HETATM 7728 O HOH A 682 -9.834 69.632 64.759 1.00 39.59 O +HETATM 7729 O HOH A 683 1.669 89.589 67.120 1.00 35.54 O +HETATM 7730 O HOH A 684 -4.987 89.363 56.293 1.00 28.35 O +HETATM 7731 O HOH A 685 -15.494 73.336 64.055 1.00 30.49 O +HETATM 7732 O HOH A 686 -0.622 90.206 48.198 1.00 39.33 O +HETATM 7733 O HOH A 687 -8.986 76.133 51.104 1.00 35.69 O +HETATM 7734 O HOH A 688 -7.974 71.684 77.542 1.00 33.94 O +HETATM 7735 O HOH A 689 -14.013 78.807 38.790 1.00 45.37 O +HETATM 7736 O HOH A 690 -8.765 81.972 39.650 1.00 32.02 O +HETATM 7737 O HOH A 691 -25.235 69.445 66.096 1.00 35.72 O +HETATM 7738 O HOH A 692 -14.057 70.444 57.599 1.00 30.03 O +HETATM 7739 O HOH A 693 -0.999 49.076 52.562 1.00 42.15 O +HETATM 7740 O HOH A 694 -16.824 66.572 89.359 1.00 41.52 O +HETATM 7741 O HOH A 695 -12.572 65.085 73.254 1.00 39.10 O +HETATM 7742 O HOH A 696 -13.751 64.742 74.664 1.00 44.36 O +HETATM 7743 O HOH A 697 -3.839 78.081 57.787 1.00 44.31 O +HETATM 7744 O HOH A 698 2.228 52.665 57.891 1.00 37.05 O +HETATM 7745 O HOH A 699 -10.477 73.076 70.309 1.00 32.76 O +HETATM 7746 O HOH A 700 -6.194 79.197 49.303 1.00 41.53 O +HETATM 7747 O HOH A 701 -12.116 66.234 71.834 1.00 41.88 O +HETATM 7748 O HOH A 702 -9.894 73.258 56.816 1.00 41.08 O +HETATM 7749 O HOH A 703 -13.287 78.002 76.749 1.00 25.73 O +HETATM 7750 O HOH A 704 -17.629 63.745 74.356 1.00 40.49 O +HETATM 7751 O HOH A 705 -6.332 62.699 55.683 1.00 41.05 O +HETATM 7752 O HOH A 706 -23.337 81.680 70.761 1.00 37.40 O +HETATM 7753 O HOH A 707 -4.095 65.624 58.492 1.00 47.40 O +HETATM 7754 O HOH A 708 -23.102 88.125 85.732 1.00 42.04 O +HETATM 7755 O HOH A 709 -13.522 74.056 76.633 1.00 35.54 O +HETATM 7756 O HOH A 710 -25.242 91.964 84.443 1.00 35.03 O +HETATM 7757 O HOH A 711 -15.648 77.720 75.642 1.00 32.41 O +HETATM 7758 O HOH A 712 -3.082 49.241 44.713 1.00 40.41 O +HETATM 7759 O HOH A 713 32.855 62.590 70.206 1.00 38.83 O +HETATM 7760 O HOH B 501 -14.101 21.962 82.636 1.00 43.46 O +HETATM 7761 O HOH B 502 5.075 59.682 71.971 1.00 18.02 O +HETATM 7762 O HOH B 503 22.684 57.375 86.659 1.00 36.45 O +HETATM 7763 O HOH B 504 15.479 33.732 68.357 1.00 46.15 O +HETATM 7764 O HOH B 505 12.725 23.988 55.234 1.00 46.48 O +HETATM 7765 O HOH B 506 17.568 55.017 82.998 1.00 32.59 O +HETATM 7766 O HOH B 507 17.464 25.574 68.173 1.00 32.02 O +HETATM 7767 O HOH B 508 -1.278 59.383 59.146 1.00 31.05 O +HETATM 7768 O HOH B 509 0.795 36.351 85.139 1.00 34.95 O +HETATM 7769 O HOH B 510 11.083 25.427 40.381 1.00 35.79 O +HETATM 7770 O HOH B 511 -0.614 38.753 86.379 1.00 36.75 O +HETATM 7771 O HOH B 512 -6.155 52.391 85.977 1.00 29.28 O +HETATM 7772 O HOH B 513 10.495 22.443 64.774 1.00 35.66 O +HETATM 7773 O HOH B 514 17.167 30.713 51.584 1.00 35.88 O +HETATM 7774 O HOH B 515 14.082 49.292 86.412 1.00 23.33 O +HETATM 7775 O HOH B 516 22.738 35.031 48.122 1.00 39.06 O +HETATM 7776 O HOH B 517 21.410 51.734 79.282 1.00 35.32 O +HETATM 7777 O HOH B 518 -3.871 62.730 58.689 1.00 31.69 O +HETATM 7778 O HOH B 519 4.420 50.328 74.611 1.00 32.61 O +HETATM 7779 O HOH B 520 13.499 66.083 69.641 1.00 33.04 O +HETATM 7780 O HOH B 521 5.672 73.519 65.085 1.00 35.23 O +HETATM 7781 O HOH B 522 -14.630 53.639 80.850 1.00 32.60 O +HETATM 7782 O HOH B 523 -0.273 32.542 76.102 1.00 34.27 O +HETATM 7783 O HOH B 524 6.444 39.999 82.634 1.00 21.98 O +HETATM 7784 O HOH B 525 14.102 24.890 68.360 1.00 40.79 O +HETATM 7785 O HOH B 526 -0.250 22.178 97.002 1.00 43.45 O +HETATM 7786 O HOH B 527 6.522 46.125 82.804 1.00 23.76 O +HETATM 7787 O HOH B 528 -7.416 47.860 89.427 1.00 42.78 O +HETATM 7788 O HOH B 529 18.573 61.604 84.151 1.00 30.01 O +HETATM 7789 O HOH B 530 6.698 66.067 63.324 1.00 27.97 O +HETATM 7790 O HOH B 531 7.437 61.958 71.231 1.00 36.42 O +HETATM 7791 O HOH B 532 -1.213 31.669 69.569 1.00 17.73 O +HETATM 7792 O HOH B 533 -7.830 34.265 75.792 1.00 22.88 O +HETATM 7793 O HOH B 534 2.776 43.107 67.176 1.00 17.75 O +HETATM 7794 O HOH B 535 -3.214 28.935 84.905 1.00 46.00 O +HETATM 7795 O HOH B 536 18.138 42.777 79.832 1.00 21.96 O +HETATM 7796 O HOH B 537 5.963 41.331 74.956 1.00 33.13 O +HETATM 7797 O HOH B 538 23.243 29.699 70.203 1.00 36.39 O +HETATM 7798 O HOH B 539 10.944 40.177 79.679 1.00 21.13 O +HETATM 7799 O HOH B 540 -11.421 43.404 76.297 1.00 25.87 O +HETATM 7800 O HOH B 541 20.572 44.243 79.097 1.00 27.43 O +HETATM 7801 O HOH B 542 7.197 26.049 58.397 1.00 19.61 O +HETATM 7802 O HOH B 543 10.544 40.802 84.931 1.00 20.10 O +HETATM 7803 O HOH B 544 9.359 24.518 57.744 1.00 31.50 O +HETATM 7804 O HOH B 545 3.574 51.001 92.574 1.00 20.60 O +HETATM 7805 O HOH B 546 -22.568 31.042 73.673 1.00 41.65 O +HETATM 7806 O HOH B 547 4.580 44.108 69.622 1.00 20.67 O +HETATM 7807 O HOH B 548 0.256 50.983 86.680 1.00 23.01 O +HETATM 7808 O HOH B 549 16.001 37.533 85.220 1.00 21.30 O +HETATM 7809 O HOH B 550 3.304 47.448 71.734 1.00 19.46 O +HETATM 7810 O HOH B 551 5.521 43.429 80.852 1.00 32.61 O +HETATM 7811 O HOH B 552 21.028 50.204 83.542 1.00 23.79 O +HETATM 7812 O HOH B 553 8.490 28.144 40.818 1.00 24.71 O +HETATM 7813 O HOH B 554 2.235 37.331 88.765 1.00 26.43 O +HETATM 7814 O HOH B 555 -7.912 43.830 78.530 1.00 25.89 O +HETATM 7815 O HOH B 556 4.106 45.548 86.105 1.00 23.08 O +HETATM 7816 O HOH B 557 14.700 26.407 66.055 1.00 40.99 O +HETATM 7817 O HOH B 558 27.293 48.278 86.594 1.00 34.42 O +HETATM 7818 O HOH B 559 7.531 51.977 87.827 1.00 18.99 O +HETATM 7819 O HOH B 560 10.775 49.121 82.415 1.00 31.56 O +HETATM 7820 O HOH B 561 1.150 50.999 83.958 1.00 20.68 O +HETATM 7821 O HOH B 562 12.212 46.101 79.590 1.00 34.44 O +HETATM 7822 O HOH B 563 -8.191 32.780 78.865 1.00 37.02 O +HETATM 7823 O HOH B 564 -4.641 48.091 78.464 1.00 17.83 O +HETATM 7824 O HOH B 565 -15.882 38.604 76.355 1.00 24.16 O +HETATM 7825 O HOH B 566 5.659 33.566 56.041 1.00 19.19 O +HETATM 7826 O HOH B 567 5.578 35.746 60.735 1.00 16.62 O +HETATM 7827 O HOH B 568 3.553 34.145 95.851 1.00 28.76 O +HETATM 7828 O HOH B 569 3.516 37.005 91.125 1.00 34.18 O +HETATM 7829 O HOH B 570 3.434 58.513 65.058 1.00 27.97 O +HETATM 7830 O HOH B 571 2.869 34.820 87.333 1.00 28.94 O +HETATM 7831 O HOH B 572 -15.297 51.217 81.197 1.00 39.54 O +HETATM 7832 O HOH B 573 4.808 36.276 106.742 1.00 36.94 O +HETATM 7833 O HOH B 574 13.770 24.843 52.554 1.00 41.09 O +HETATM 7834 O HOH B 575 -3.658 26.938 96.802 1.00 41.31 O +HETATM 7835 O HOH B 576 19.490 27.357 70.600 1.00 28.91 O +HETATM 7836 O HOH B 577 -0.501 29.296 88.122 1.00 36.26 O +HETATM 7837 O HOH B 578 -3.541 36.013 75.864 1.00 33.47 O +HETATM 7838 O HOH B 579 -6.291 47.774 80.611 1.00 19.38 O +HETATM 7839 O HOH B 580 -0.587 30.252 98.673 1.00 35.86 O +HETATM 7840 O HOH B 581 22.465 63.380 78.569 1.00 33.58 O +HETATM 7841 O HOH B 582 14.038 36.690 70.146 1.00 32.49 O +HETATM 7842 O HOH B 583 8.163 45.895 86.582 1.00 18.97 O +HETATM 7843 O HOH B 584 -2.760 46.654 88.952 1.00 24.11 O +HETATM 7844 O HOH B 585 16.618 38.672 46.668 1.00 48.83 O +HETATM 7845 O HOH B 586 1.097 36.581 92.920 1.00 39.29 O +HETATM 7846 O HOH B 587 19.386 27.971 77.925 1.00 36.25 O +HETATM 7847 O HOH B 588 3.616 51.049 70.119 1.00 20.30 O +HETATM 7848 O HOH B 589 8.279 45.801 80.570 1.00 31.46 O +HETATM 7849 O HOH B 590 3.839 52.167 82.023 1.00 23.23 O +HETATM 7850 O HOH B 591 12.624 66.964 66.858 1.00 30.09 O +HETATM 7851 O HOH B 592 8.121 42.005 78.984 1.00 38.04 O +HETATM 7852 O HOH B 593 -19.027 34.708 77.251 1.00 36.91 O +HETATM 7853 O HOH B 594 9.057 35.235 50.164 1.00 26.67 O +HETATM 7854 O HOH B 595 -1.210 33.447 80.752 1.00 32.41 O +HETATM 7855 O HOH B 596 11.694 43.748 87.662 1.00 21.79 O +HETATM 7856 O HOH B 597 1.658 72.229 63.613 1.00 20.24 O +HETATM 7857 O HOH B 598 17.391 46.493 79.898 1.00 27.67 O +HETATM 7858 O HOH B 599 11.079 38.747 72.275 1.00 23.02 O +HETATM 7859 O HOH B 600 -9.078 47.371 80.008 1.00 21.05 O +HETATM 7860 O HOH B 601 8.085 24.801 46.644 1.00 25.10 O +HETATM 7861 O HOH B 602 6.716 48.356 84.302 1.00 21.74 O +HETATM 7862 O HOH B 603 -4.379 32.289 75.526 1.00 23.20 O +HETATM 7863 O HOH B 604 2.685 59.145 72.497 1.00 30.47 O +HETATM 7864 O HOH B 605 -11.228 42.079 78.514 1.00 34.38 O +HETATM 7865 O HOH B 606 17.407 36.278 50.646 1.00 35.81 O +HETATM 7866 O HOH B 607 1.721 32.039 49.847 1.00 27.92 O +HETATM 7867 O HOH B 608 -25.336 45.154 74.162 1.00 39.59 O +HETATM 7868 O HOH B 609 0.721 58.688 72.228 1.00 28.88 O +HETATM 7869 O HOH B 610 4.760 56.549 73.203 1.00 31.85 O +HETATM 7870 O HOH B 611 1.945 52.289 68.443 1.00 18.06 O +HETATM 7871 O HOH B 612 0.728 61.500 73.208 1.00 20.68 O +HETATM 7872 O HOH B 613 14.763 60.111 74.183 1.00 33.20 O +HETATM 7873 O HOH B 614 -10.612 57.133 95.719 1.00 35.44 O +HETATM 7874 O HOH B 615 5.064 35.402 77.508 1.00 22.31 O +HETATM 7875 O HOH B 616 3.287 34.026 79.526 1.00 21.74 O +HETATM 7876 O HOH B 617 3.551 31.666 105.162 1.00 29.85 O +HETATM 7877 O HOH B 618 8.015 58.144 72.622 1.00 34.07 O +HETATM 7878 O HOH B 619 2.950 40.523 75.913 1.00 36.60 O +HETATM 7879 O HOH B 620 8.303 24.761 61.605 1.00 31.45 O +HETATM 7880 O HOH B 621 15.120 47.760 88.510 1.00 23.50 O +HETATM 7881 O HOH B 622 3.078 59.011 61.081 1.00 31.45 O +HETATM 7882 O HOH B 623 4.229 34.317 91.558 1.00 35.20 O +HETATM 7883 O HOH B 624 2.688 64.834 59.634 1.00 27.56 O +HETATM 7884 O HOH B 625 1.243 44.778 78.912 1.00 29.78 O +HETATM 7885 O HOH B 626 12.752 34.897 54.904 1.00 29.53 O +HETATM 7886 O HOH B 627 2.596 36.237 59.980 1.00 28.77 O +HETATM 7887 O HOH B 628 -17.685 27.595 78.821 1.00 37.40 O +HETATM 7888 O HOH B 629 4.500 57.443 67.465 1.00 31.28 O +HETATM 7889 O HOH B 630 -10.627 21.330 77.374 1.00 42.98 O +HETATM 7890 O HOH B 631 15.338 31.063 53.395 1.00 33.97 O +HETATM 7891 O HOH B 632 14.134 42.362 80.311 1.00 21.60 O +HETATM 7892 O HOH B 633 -17.859 44.653 82.488 1.00 31.51 O +HETATM 7893 O HOH B 634 4.967 38.114 76.859 1.00 28.27 O +HETATM 7894 O HOH B 635 -2.126 39.766 91.210 1.00 32.22 O +HETATM 7895 O HOH B 636 3.730 43.105 77.133 1.00 49.02 O +HETATM 7896 O HOH B 637 12.047 40.484 76.421 1.00 31.55 O +HETATM 7897 O HOH B 638 26.578 37.457 79.625 1.00 29.70 O +HETATM 7898 O HOH B 639 11.686 60.733 66.956 1.00 31.98 O +HETATM 7899 O HOH B 640 5.912 57.893 71.304 1.00 33.62 O +HETATM 7900 O HOH B 641 3.272 28.449 83.844 1.00 22.63 O +HETATM 7901 O HOH B 642 0.025 27.598 90.038 1.00 27.09 O +HETATM 7902 O HOH B 643 11.975 56.880 77.399 1.00 29.59 O +HETATM 7903 O HOH B 644 21.691 60.214 85.617 1.00 35.91 O +HETATM 7904 O HOH B 645 -0.795 43.292 76.668 1.00 29.19 O +HETATM 7905 O HOH B 646 -26.052 42.744 75.769 1.00 33.58 O +HETATM 7906 O HOH B 647 -7.047 23.739 82.581 1.00 51.59 O +HETATM 7907 O HOH B 648 -3.181 46.631 86.050 1.00 22.40 O +HETATM 7908 O HOH B 649 17.965 48.978 81.289 1.00 27.22 O +HETATM 7909 O HOH B 650 4.301 33.475 58.579 1.00 18.20 O +HETATM 7910 O HOH B 651 13.269 56.998 72.990 1.00 40.53 O +HETATM 7911 O HOH B 652 15.254 63.529 85.005 1.00 43.95 O +HETATM 7912 O HOH B 653 23.564 39.574 85.655 1.00 34.16 O +HETATM 7913 O HOH B 654 20.670 49.766 80.769 1.00 43.00 O +HETATM 7914 O HOH B 655 -0.904 42.983 79.282 1.00 25.35 O +HETATM 7915 O HOH B 656 9.238 40.701 76.585 1.00 37.88 O +HETATM 7916 O HOH B 657 1.984 29.919 75.966 1.00 27.03 O +HETATM 7917 O HOH B 658 -3.305 29.662 75.150 1.00 27.22 O +HETATM 7918 O HOH B 659 -5.368 46.252 89.295 1.00 31.38 O +HETATM 7919 O HOH B 660 -1.062 28.678 83.096 1.00 32.51 O +HETATM 7920 O HOH B 661 -2.300 20.362 93.056 1.00 44.73 O +HETATM 7921 O HOH B 662 -6.110 23.769 101.432 1.00 37.80 O +HETATM 7922 O HOH B 663 -1.158 30.225 76.480 1.00 31.42 O +HETATM 7923 O HOH B 664 11.639 24.010 67.563 1.00 41.37 O +HETATM 7924 O HOH B 665 4.621 48.191 80.102 1.00 37.66 O +HETATM 7925 O HOH B 666 -8.435 22.853 75.009 1.00 47.05 O +HETATM 7926 O HOH B 667 -6.229 41.910 78.212 1.00 46.05 O +HETATM 7927 O HOH B 668 4.546 32.584 38.502 1.00 35.37 O +HETATM 7928 O HOH B 669 12.805 24.711 60.165 1.00 49.78 O +HETATM 7929 O HOH B 670 5.773 49.617 81.520 1.00 36.35 O +HETATM 7930 O HOH B 671 -26.269 39.636 67.836 1.00 37.24 O +HETATM 7931 O HOH B 672 16.175 42.978 78.089 1.00 39.88 O +HETATM 7932 O HOH B 673 -24.025 43.906 78.154 1.00 49.33 O +HETATM 7933 O HOH B 674 21.713 38.436 48.133 1.00 48.59 O +HETATM 7934 O HOH B 675 -9.176 59.155 96.186 1.00 42.14 O +HETATM 7935 O HOH B 676 0.845 29.369 84.519 1.00 33.31 O +HETATM 7936 O HOH B 677 2.456 36.555 79.760 1.00 38.76 O +HETATM 7937 O HOH B 678 -1.471 66.599 59.222 1.00 42.99 O +HETATM 7938 O HOH B 679 -7.025 40.186 81.908 1.00 43.78 O +HETATM 7939 O HOH B 680 11.240 59.076 69.577 1.00 53.57 O +HETATM 7940 O HOH B 681 -6.850 21.695 75.039 1.00 43.00 O +HETATM 7941 O HOH B 682 10.729 23.926 60.282 1.00 38.97 O +HETATM 7942 O HOH B 683 0.109 31.292 86.401 1.00 34.28 O +HETATM 7943 O HOH C 501 -0.125 21.320 40.571 1.00 16.63 O +HETATM 7944 O HOH C 502 -23.453 46.304 48.879 1.00 36.94 O +HETATM 7945 O HOH C 503 0.643 37.058 59.163 1.00 13.94 O +HETATM 7946 O HOH C 504 -22.491 32.531 70.023 1.00 34.04 O +HETATM 7947 O HOH C 505 -17.551 58.428 33.352 1.00 42.97 O +HETATM 7948 O HOH C 506 -2.736 60.086 38.850 1.00 42.08 O +HETATM 7949 O HOH C 507 5.448 60.965 35.360 1.00 37.25 O +HETATM 7950 O HOH C 508 -9.885 48.921 35.530 1.00 39.49 O +HETATM 7951 O HOH C 509 -0.339 69.790 32.341 1.00 30.49 O +HETATM 7952 O HOH C 510 -41.032 36.018 42.303 1.00 36.74 O +HETATM 7953 O HOH C 511 -5.439 38.574 36.947 1.00 40.71 O +HETATM 7954 O HOH C 512 -24.420 38.053 49.048 1.00 33.31 O +HETATM 7955 O HOH C 513 -8.468 50.432 35.390 1.00 35.12 O +HETATM 7956 O HOH C 514 -17.286 32.076 63.646 1.00 22.28 O +HETATM 7957 O HOH C 515 -13.971 54.252 32.278 1.00 39.97 O +HETATM 7958 O HOH C 516 -37.730 23.228 43.720 1.00 40.94 O +HETATM 7959 O HOH C 517 -10.861 56.421 31.247 1.00 38.82 O +HETATM 7960 O HOH C 518 -13.427 48.642 28.836 1.00 30.93 O +HETATM 7961 O HOH C 519 -14.026 52.122 29.399 1.00 34.46 O +HETATM 7962 O HOH C 520 -9.917 27.146 45.407 1.00 19.28 O +HETATM 7963 O HOH C 521 -13.770 33.789 49.846 1.00 18.24 O +HETATM 7964 O HOH C 522 -22.030 39.090 66.131 1.00 36.84 O +HETATM 7965 O HOH C 523 -9.497 46.725 38.404 1.00 26.93 O +HETATM 7966 O HOH C 524 -7.994 36.738 39.529 1.00 34.42 O +HETATM 7967 O HOH C 525 4.278 49.798 64.711 1.00 26.05 O +HETATM 7968 O HOH C 526 -24.095 36.410 51.526 1.00 29.33 O +HETATM 7969 O HOH C 527 -28.946 57.158 75.199 1.00 43.42 O +HETATM 7970 O HOH C 528 13.444 37.528 61.185 1.00 40.28 O +HETATM 7971 O HOH C 529 -18.307 38.253 71.180 1.00 35.43 O +HETATM 7972 O HOH C 530 -33.198 51.971 65.713 1.00 42.59 O +HETATM 7973 O HOH C 531 5.068 20.409 47.358 1.00 36.26 O +HETATM 7974 O HOH C 532 -10.534 33.777 27.173 1.00 38.14 O +HETATM 7975 O HOH C 533 5.405 49.338 68.950 1.00 30.18 O +HETATM 7976 O HOH C 534 -27.999 48.120 54.467 1.00 28.42 O +HETATM 7977 O HOH C 535 -25.392 39.718 65.323 1.00 47.04 O +HETATM 7978 O HOH C 536 10.419 41.005 61.962 1.00 32.30 O +HETATM 7979 O HOH C 537 -30.134 29.067 45.408 1.00 26.96 O +HETATM 7980 O HOH C 538 -24.951 49.725 54.828 1.00 22.89 O +HETATM 7981 O HOH C 539 -13.862 37.765 42.818 1.00 15.96 O +HETATM 7982 O HOH C 540 -19.882 53.948 48.169 1.00 14.98 O +HETATM 7983 O HOH C 541 3.860 36.000 58.750 1.00 35.77 O +HETATM 7984 O HOH C 542 -2.672 26.261 46.099 1.00 27.45 O +HETATM 7985 O HOH C 543 0.547 27.962 44.442 1.00 33.72 O +HETATM 7986 O HOH C 544 -27.261 31.515 45.587 1.00 28.10 O +HETATM 7987 O HOH C 545 -11.972 26.588 52.294 1.00 14.39 O +HETATM 7988 O HOH C 546 -20.929 46.068 62.942 1.00 22.78 O +HETATM 7989 O HOH C 547 -8.983 49.384 51.582 1.00 15.59 O +HETATM 7990 O HOH C 548 -17.796 36.793 46.498 1.00 16.19 O +HETATM 7991 O HOH C 549 -1.471 63.352 33.560 1.00 27.94 O +HETATM 7992 O HOH C 550 -17.135 24.280 54.801 1.00 14.25 O +HETATM 7993 O HOH C 551 -14.902 36.992 49.025 1.00 29.98 O +HETATM 7994 O HOH C 552 -22.589 47.930 47.793 1.00 34.22 O +HETATM 7995 O HOH C 553 -21.712 47.592 52.434 1.00 32.84 O +HETATM 7996 O HOH C 554 1.902 22.319 48.480 1.00 20.62 O +HETATM 7997 O HOH C 555 -23.548 39.146 68.248 1.00 33.32 O +HETATM 7998 O HOH C 556 -13.648 32.199 57.053 1.00 15.51 O +HETATM 7999 O HOH C 557 -9.592 31.667 48.125 1.00 26.45 O +HETATM 8000 O HOH C 558 -16.538 33.283 43.435 1.00 14.03 O +HETATM 8001 O HOH C 559 13.923 36.121 67.029 1.00 27.06 O +HETATM 8002 O HOH C 560 -17.043 32.000 51.411 1.00 18.36 O +HETATM 8003 O HOH C 561 -19.103 37.355 50.347 1.00 35.05 O +HETATM 8004 O HOH C 562 -17.093 42.379 28.940 1.00 37.83 O +HETATM 8005 O HOH C 563 11.886 35.853 57.389 1.00 31.17 O +HETATM 8006 O HOH C 564 -2.666 21.391 34.280 1.00 45.50 O +HETATM 8007 O HOH C 565 -7.636 39.350 54.182 1.00 32.88 O +HETATM 8008 O HOH C 566 -0.063 20.314 42.788 1.00 21.99 O +HETATM 8009 O HOH C 567 -32.501 60.769 67.316 1.00 40.03 O +HETATM 8010 O HOH C 568 -16.716 53.329 31.931 1.00 35.18 O +HETATM 8011 O HOH C 569 -25.132 34.282 48.470 1.00 29.10 O +HETATM 8012 O HOH C 570 -8.992 57.206 45.205 1.00 15.69 O +HETATM 8013 O HOH C 571 -0.995 75.820 38.805 1.00 35.03 O +HETATM 8014 O HOH C 572 -16.235 32.937 37.000 1.00 16.91 O +HETATM 8015 O HOH C 573 -22.040 23.346 69.890 1.00 29.83 O +HETATM 8016 O HOH C 574 -12.895 63.689 35.701 1.00 32.19 O +HETATM 8017 O HOH C 575 8.579 41.518 59.440 1.00 51.29 O +HETATM 8018 O HOH C 576 -8.313 43.436 53.557 1.00 17.78 O +HETATM 8019 O HOH C 577 -17.814 38.799 61.280 1.00 17.97 O +HETATM 8020 O HOH C 578 -1.113 31.105 37.760 1.00 39.44 O +HETATM 8021 O HOH C 579 -15.490 29.356 44.043 1.00 15.23 O +HETATM 8022 O HOH C 580 -14.033 38.157 46.246 1.00 31.73 O +HETATM 8023 O HOH C 581 -9.112 43.108 39.026 1.00 31.23 O +HETATM 8024 O HOH C 582 -8.185 26.807 31.194 1.00 33.67 O +HETATM 8025 O HOH C 583 -7.618 61.967 44.012 1.00 19.00 O +HETATM 8026 O HOH C 584 -26.678 43.291 65.132 1.00 43.92 O +HETATM 8027 O HOH C 585 -26.466 49.799 63.745 1.00 22.50 O +HETATM 8028 O HOH C 586 1.140 42.065 58.681 1.00 30.27 O +HETATM 8029 O HOH C 587 -19.151 40.282 63.308 1.00 18.13 O +HETATM 8030 O HOH C 588 -8.608 34.391 38.370 1.00 16.05 O +HETATM 8031 O HOH C 589 -0.924 30.071 40.732 1.00 25.84 O +HETATM 8032 O HOH C 590 -13.131 42.659 47.944 1.00 28.12 O +HETATM 8033 O HOH C 591 -2.273 17.487 44.148 1.00 25.97 O +HETATM 8034 O HOH C 592 -4.327 27.097 40.175 1.00 15.59 O +HETATM 8035 O HOH C 593 -4.146 56.569 34.950 1.00 40.64 O +HETATM 8036 O HOH C 594 -25.734 36.081 46.044 1.00 24.01 O +HETATM 8037 O HOH C 595 -3.991 44.438 57.636 1.00 16.35 O +HETATM 8038 O HOH C 596 -9.570 46.760 26.930 1.00 34.20 O +HETATM 8039 O HOH C 597 -8.735 46.253 50.619 1.00 18.48 O +HETATM 8040 O HOH C 598 5.140 72.281 34.830 1.00 37.91 O +HETATM 8041 O HOH C 599 -2.510 37.675 57.627 1.00 25.35 O +HETATM 8042 O HOH C 600 10.304 33.577 56.036 1.00 26.44 O +HETATM 8043 O HOH C 601 -6.232 33.668 37.227 1.00 22.13 O +HETATM 8044 O HOH C 602 -15.093 30.280 48.312 1.00 13.87 O +HETATM 8045 O HOH C 603 -20.078 42.830 60.229 1.00 27.94 O +HETATM 8046 O HOH C 604 1.181 61.092 34.861 1.00 36.84 O +HETATM 8047 O HOH C 605 -10.675 44.528 42.219 1.00 18.28 O +HETATM 8048 O HOH C 606 -13.226 63.153 38.242 1.00 21.63 O +HETATM 8049 O HOH C 607 -4.328 23.299 33.874 1.00 32.64 O +HETATM 8050 O HOH C 608 -28.540 31.313 48.248 1.00 32.57 O +HETATM 8051 O HOH C 609 -11.572 25.761 43.555 1.00 16.41 O +HETATM 8052 O HOH C 610 -11.745 38.786 52.374 1.00 36.96 O +HETATM 8053 O HOH C 611 -19.914 43.390 57.583 1.00 36.58 O +HETATM 8054 O HOH C 612 6.420 62.050 31.322 1.00 42.72 O +HETATM 8055 O HOH C 613 -6.667 32.879 41.130 1.00 20.23 O +HETATM 8056 O HOH C 614 -24.424 49.857 51.054 1.00 19.76 O +HETATM 8057 O HOH C 615 -15.631 30.224 57.648 1.00 16.92 O +HETATM 8058 O HOH C 616 -14.683 37.011 51.937 1.00 35.28 O +HETATM 8059 O HOH C 617 -15.540 39.924 60.214 1.00 13.74 O +HETATM 8060 O HOH C 618 -15.470 43.279 49.705 1.00 30.15 O +HETATM 8061 O HOH C 619 7.425 31.524 39.572 1.00 41.50 O +HETATM 8062 O HOH C 620 -5.209 36.568 35.888 1.00 37.12 O +HETATM 8063 O HOH C 621 -4.818 43.044 55.406 1.00 18.55 O +HETATM 8064 O HOH C 622 2.274 20.997 42.768 1.00 24.37 O +HETATM 8065 O HOH C 623 -21.750 43.149 45.637 1.00 18.52 O +HETATM 8066 O HOH C 624 -26.930 42.265 68.619 1.00 30.39 O +HETATM 8067 O HOH C 625 -11.924 35.343 48.366 1.00 28.71 O +HETATM 8068 O HOH C 626 -12.976 31.484 50.983 1.00 15.26 O +HETATM 8069 O HOH C 627 4.643 32.288 51.480 1.00 23.94 O +HETATM 8070 O HOH C 628 7.677 44.477 69.953 1.00 39.29 O +HETATM 8071 O HOH C 629 -12.852 37.515 26.868 1.00 36.21 O +HETATM 8072 O HOH C 630 2.741 44.017 60.231 1.00 25.63 O +HETATM 8073 O HOH C 631 -21.217 31.255 57.572 1.00 19.76 O +HETATM 8074 O HOH C 632 -30.838 39.579 46.159 1.00 34.70 O +HETATM 8075 O HOH C 633 -3.291 62.502 35.103 1.00 39.59 O +HETATM 8076 O HOH C 634 -2.438 38.659 62.158 1.00 30.40 O +HETATM 8077 O HOH C 635 9.490 45.838 64.819 1.00 29.50 O +HETATM 8078 O HOH C 636 0.724 36.349 55.912 1.00 26.08 O +HETATM 8079 O HOH C 637 -33.040 38.276 45.148 1.00 26.33 O +HETATM 8080 O HOH C 638 -18.778 43.615 45.049 1.00 20.71 O +HETATM 8081 O HOH C 639 -25.009 50.649 48.408 1.00 27.89 O +HETATM 8082 O HOH C 640 -11.451 41.116 50.507 1.00 41.00 O +HETATM 8083 O HOH C 641 6.377 43.386 61.299 1.00 44.00 O +HETATM 8084 O HOH C 642 -35.067 30.054 45.728 1.00 27.15 O +HETATM 8085 O HOH C 643 -8.528 34.800 52.263 1.00 39.69 O +HETATM 8086 O HOH C 644 -9.147 34.837 45.327 1.00 30.37 O +HETATM 8087 O HOH C 645 11.697 39.259 69.748 1.00 21.76 O +HETATM 8088 O HOH C 646 3.751 30.407 36.432 1.00 29.68 O +HETATM 8089 O HOH C 647 -22.659 17.231 62.356 1.00 34.63 O +HETATM 8090 O HOH C 648 -11.274 35.271 41.451 1.00 15.78 O +HETATM 8091 O HOH C 649 -20.223 21.627 69.706 1.00 38.99 O +HETATM 8092 O HOH C 650 -1.036 36.472 63.769 1.00 17.56 O +HETATM 8093 O HOH C 651 -6.347 66.710 44.061 1.00 29.46 O +HETATM 8094 O HOH C 652 5.000 47.001 60.868 1.00 30.30 O +HETATM 8095 O HOH C 653 -10.496 32.524 55.542 1.00 19.07 O +HETATM 8096 O HOH C 654 -14.969 39.259 53.375 1.00 31.07 O +HETATM 8097 O HOH C 655 -2.516 28.655 47.520 1.00 25.45 O +HETATM 8098 O HOH C 656 -27.804 42.206 42.462 1.00 16.84 O +HETATM 8099 O HOH C 657 -0.966 31.898 51.648 1.00 27.18 O +HETATM 8100 O HOH C 658 1.746 20.818 45.278 1.00 20.99 O +HETATM 8101 O HOH C 659 -15.115 60.865 36.382 1.00 26.68 O +HETATM 8102 O HOH C 660 -1.377 65.044 42.610 1.00 36.03 O +HETATM 8103 O HOH C 661 -17.596 40.308 54.120 1.00 23.03 O +HETATM 8104 O HOH C 662 -23.280 18.633 64.219 1.00 28.41 O +HETATM 8105 O HOH C 663 -22.930 44.684 61.713 1.00 35.10 O +HETATM 8106 O HOH C 664 -1.150 37.400 60.753 1.00 26.64 O +HETATM 8107 O HOH C 665 -19.870 33.778 57.865 1.00 20.48 O +HETATM 8108 O HOH C 666 -34.695 53.661 69.447 1.00 35.74 O +HETATM 8109 O HOH C 667 4.144 22.472 42.612 1.00 22.14 O +HETATM 8110 O HOH C 668 -5.836 37.971 25.287 1.00 30.84 O +HETATM 8111 O HOH C 669 -26.799 32.422 52.988 1.00 31.06 O +HETATM 8112 O HOH C 670 -16.677 42.949 46.802 1.00 28.59 O +HETATM 8113 O HOH C 671 -17.694 35.012 50.815 1.00 30.14 O +HETATM 8114 O HOH C 672 5.749 23.578 58.869 1.00 38.86 O +HETATM 8115 O HOH C 673 -9.831 60.475 44.957 1.00 17.70 O +HETATM 8116 O HOH C 674 -28.697 18.389 59.406 1.00 33.87 O +HETATM 8117 O HOH C 675 0.571 20.005 50.128 1.00 41.11 O +HETATM 8118 O HOH C 676 1.152 18.445 46.211 1.00 29.76 O +HETATM 8119 O HOH C 677 7.459 38.979 54.728 1.00 36.04 O +HETATM 8120 O HOH C 678 2.980 60.804 36.660 1.00 31.04 O +HETATM 8121 O HOH C 679 -36.008 55.500 49.256 1.00 40.60 O +HETATM 8122 O HOH C 680 -11.563 35.626 52.730 1.00 35.79 O +HETATM 8123 O HOH C 681 -2.937 31.230 49.958 1.00 36.98 O +HETATM 8124 O HOH C 682 -5.427 30.425 42.091 1.00 20.42 O +HETATM 8125 O HOH C 683 -28.405 51.397 74.402 1.00 26.90 O +HETATM 8126 O HOH C 684 -6.857 36.356 52.623 1.00 35.20 O +HETATM 8127 O HOH C 685 -15.920 42.471 54.171 1.00 23.06 O +HETATM 8128 O HOH C 686 -3.265 18.886 42.118 1.00 27.17 O +HETATM 8129 O HOH C 687 5.278 23.455 37.738 1.00 34.31 O +HETATM 8130 O HOH C 688 -23.177 48.498 44.356 1.00 22.60 O +HETATM 8131 O HOH C 689 -11.570 60.685 32.846 1.00 46.37 O +HETATM 8132 O HOH C 690 -11.196 39.916 42.246 1.00 26.48 O +HETATM 8133 O HOH C 691 -16.919 39.458 46.880 1.00 36.98 O +HETATM 8134 O HOH C 692 -7.290 20.109 34.787 1.00 47.07 O +HETATM 8135 O HOH C 693 4.409 21.429 38.853 1.00 36.48 O +HETATM 8136 O HOH C 694 -8.225 34.435 28.231 1.00 26.79 O +HETATM 8137 O HOH C 695 2.098 35.323 50.840 1.00 34.77 O +HETATM 8138 O HOH C 696 5.186 42.959 56.554 1.00 37.56 O +HETATM 8139 O HOH C 697 -11.613 29.376 31.789 1.00 24.27 O +HETATM 8140 O HOH C 698 -14.375 40.887 50.407 1.00 43.84 O +HETATM 8141 O HOH C 699 -34.495 47.980 49.224 1.00 42.02 O +HETATM 8142 O HOH C 700 -12.787 40.592 44.462 1.00 35.04 O +HETATM 8143 O HOH C 701 -36.099 53.242 58.670 1.00 42.93 O +HETATM 8144 O HOH C 702 12.819 22.999 43.489 1.00 46.66 O +HETATM 8145 O HOH C 703 -29.213 44.192 46.331 1.00 24.80 O +HETATM 8146 O HOH C 704 -5.131 30.184 44.963 1.00 30.14 O +HETATM 8147 O HOH C 705 -33.031 29.900 47.414 1.00 38.56 O +HETATM 8148 O HOH C 706 0.094 38.140 57.361 1.00 30.79 O +HETATM 8149 O HOH C 707 -4.668 33.313 39.237 1.00 40.88 O +HETATM 8150 O HOH C 708 -23.240 31.601 59.455 1.00 38.14 O +HETATM 8151 O HOH C 709 -16.845 40.168 27.578 1.00 40.69 O +HETATM 8152 O HOH C 710 -24.507 48.805 47.186 1.00 39.00 O +HETATM 8153 O HOH C 711 1.491 21.403 52.513 1.00 36.69 O +HETATM 8154 O HOH C 712 -36.648 52.139 56.543 1.00 44.32 O +HETATM 8155 O HOH C 713 -11.075 33.435 52.349 1.00 34.45 O +HETATM 8156 O HOH C 714 5.996 49.138 62.738 1.00 42.08 O +HETATM 8157 O HOH C 715 2.253 20.770 40.563 1.00 26.27 O +HETATM 8158 O HOH C 716 -2.584 59.261 36.495 1.00 40.47 O +HETATM 8159 O HOH C 717 -32.609 27.086 52.168 1.00 48.55 O +HETATM 8160 O HOH C 718 -41.150 39.893 43.022 1.00 43.36 O +HETATM 8161 O HOH C 719 -21.957 46.438 55.979 1.00 38.99 O +HETATM 8162 O HOH C 720 -19.378 43.236 54.309 1.00 46.97 O +HETATM 8163 O HOH C 721 -0.412 19.048 39.742 1.00 36.18 O +HETATM 8164 O HOH C 722 -11.324 37.619 43.285 1.00 34.10 O +HETATM 8165 O HOH C 723 -3.431 29.493 40.753 1.00 31.53 O +HETATM 8166 O HOH C 724 -27.252 33.529 49.470 1.00 36.52 O +HETATM 8167 O HOH C 725 -40.651 41.296 41.914 1.00 42.72 O +HETATM 8168 O HOH C 726 -29.013 17.128 61.649 1.00 41.65 O +HETATM 8169 O HOH C 727 -41.901 38.689 46.296 1.00 39.28 O +HETATM 8170 O HOH C 728 -20.727 42.216 47.804 1.00 28.78 O +HETATM 8171 O HOH C 729 -20.578 38.324 52.361 1.00 38.26 O +HETATM 8172 O HOH C 730 -7.632 42.248 51.051 1.00 35.94 O +HETATM 8173 O HOH C 731 -28.417 41.850 45.093 1.00 23.59 O +HETATM 8174 O HOH C 732 -9.381 34.294 47.808 1.00 32.12 O +HETATM 8175 O HOH C 733 -3.125 40.941 54.530 1.00 37.11 O +HETATM 8176 O HOH C 734 -24.388 40.601 50.584 1.00 36.39 O +HETATM 8177 O HOH C 735 -20.439 45.425 54.795 1.00 36.92 O +HETATM 8178 O HOH C 736 -26.573 37.925 47.774 1.00 39.64 O +HETATM 8179 O HOH C 737 0.202 17.213 42.651 1.00 33.62 O +HETATM 8180 O HOH C 738 -5.093 42.638 50.796 1.00 36.49 O +HETATM 8181 O HOH C 739 -24.226 44.129 59.146 1.00 41.86 O +HETATM 8182 O HOH C 740 -28.251 39.875 46.886 1.00 31.67 O +HETATM 8183 O HOH C 741 3.648 19.049 43.087 1.00 39.33 O +HETATM 8184 O HOH C 742 -27.962 40.964 49.089 1.00 42.34 O +HETATM 8185 O HOH C 743 -36.414 28.090 38.000 1.00 50.10 O +CONECT 7345 7346 +CONECT 7346 7345 7347 +CONECT 7347 7346 7348 +CONECT 7348 7347 7349 +CONECT 7349 7348 7350 +CONECT 7350 7349 +CONECT 7351 7352 +CONECT 7352 7351 7353 +CONECT 7353 7352 7354 +CONECT 7354 7353 7355 +CONECT 7355 7354 7356 +CONECT 7356 7355 7357 +CONECT 7357 7356 7358 +CONECT 7358 7357 7359 +CONECT 7359 7358 7360 +CONECT 7360 7359 7361 +CONECT 7361 7360 7362 +CONECT 7362 7361 +CONECT 7363 7364 +CONECT 7364 7363 7365 +CONECT 7365 7364 7366 +CONECT 7366 7365 7367 +CONECT 7367 7366 7368 +CONECT 7368 7367 7369 +CONECT 7369 7368 7370 +CONECT 7370 7369 7371 +CONECT 7371 7370 7372 +CONECT 7372 7371 7373 +CONECT 7373 7372 +CONECT 7374 7375 +CONECT 7375 7374 7376 +CONECT 7376 7375 7377 +CONECT 7377 7376 7378 +CONECT 7378 7377 +CONECT 7379 7380 +CONECT 7380 7379 7381 +CONECT 7381 7380 7382 +CONECT 7382 7381 7383 +CONECT 7383 7382 7384 +CONECT 7384 7383 7385 +CONECT 7385 7384 7386 +CONECT 7386 7385 7387 +CONECT 7387 7386 +CONECT 7388 7389 +CONECT 7389 7388 7390 +CONECT 7390 7389 7391 +CONECT 7391 7390 7392 +CONECT 7392 7391 7393 +CONECT 7393 7392 7394 +CONECT 7394 7393 7395 +CONECT 7395 7394 7396 +CONECT 7396 7395 7397 +CONECT 7397 7396 +CONECT 7398 7399 +CONECT 7399 7398 7400 +CONECT 7400 7399 7401 +CONECT 7401 7400 7402 +CONECT 7402 7401 7403 +CONECT 7403 7402 7404 +CONECT 7404 7403 7405 +CONECT 7405 7404 +CONECT 7406 7407 +CONECT 7407 7406 7408 +CONECT 7408 7407 7409 +CONECT 7409 7408 7410 +CONECT 7410 7409 7411 +CONECT 7411 7410 7412 +CONECT 7412 7411 7413 +CONECT 7413 7412 +CONECT 7414 7415 +CONECT 7415 7414 7416 +CONECT 7416 7415 7417 +CONECT 7417 7416 7418 +CONECT 7418 7417 +CONECT 7419 7420 +CONECT 7420 7419 7421 +CONECT 7421 7420 7422 +CONECT 7422 7421 7423 +CONECT 7423 7422 7424 +CONECT 7424 7423 7425 +CONECT 7425 7424 7426 +CONECT 7426 7425 7427 +CONECT 7427 7426 +CONECT 7428 7429 +CONECT 7429 7428 7430 +CONECT 7430 7429 7431 +CONECT 7431 7430 7432 +CONECT 7432 7431 7433 +CONECT 7433 7432 7434 +CONECT 7434 7433 7435 +CONECT 7435 7434 7436 +CONECT 7436 7435 +CONECT 7437 7438 +CONECT 7438 7437 7439 +CONECT 7439 7438 7440 +CONECT 7440 7439 7441 +CONECT 7441 7440 7442 +CONECT 7442 7441 7443 +CONECT 7443 7442 7444 +CONECT 7444 7443 7445 +CONECT 7445 7444 7446 +CONECT 7446 7445 7447 +CONECT 7447 7446 +CONECT 7448 7449 +CONECT 7449 7448 7450 +CONECT 7450 7449 7451 +CONECT 7451 7450 +CONECT 7452 7453 +CONECT 7453 7452 7454 +CONECT 7454 7453 7455 +CONECT 7455 7454 7456 +CONECT 7456 7455 7457 +CONECT 7457 7456 7458 +CONECT 7458 7457 7459 +CONECT 7459 7458 7460 +CONECT 7460 7459 +CONECT 7461 7462 +CONECT 7462 7461 7463 +CONECT 7463 7462 7464 +CONECT 7464 7463 7465 +CONECT 7465 7464 7466 +CONECT 7466 7465 7467 +CONECT 7467 7466 7468 +CONECT 7468 7467 +CONECT 7469 7470 +CONECT 7470 7469 7471 +CONECT 7471 7470 7472 +CONECT 7472 7471 7473 +CONECT 7473 7472 7474 +CONECT 7474 7473 7475 +CONECT 7475 7474 +CONECT 7476 7477 +CONECT 7477 7476 7478 +CONECT 7478 7477 7479 +CONECT 7479 7478 7480 +CONECT 7480 7479 +CONECT 7481 7482 +CONECT 7482 7481 7483 +CONECT 7483 7482 7484 +CONECT 7484 7483 7485 +CONECT 7485 7484 7486 +CONECT 7486 7485 7487 +CONECT 7487 7486 7488 +CONECT 7488 7487 7489 +CONECT 7489 7488 7490 +CONECT 7490 7489 7491 +CONECT 7491 7490 7492 +CONECT 7492 7491 7493 +CONECT 7493 7492 7494 +CONECT 7494 7493 +CONECT 7495 7496 +CONECT 7496 7495 7497 +CONECT 7497 7496 7498 +CONECT 7498 7497 7499 +CONECT 7499 7498 7500 +CONECT 7500 7499 7501 +CONECT 7501 7500 7502 +CONECT 7502 7501 7503 +CONECT 7503 7502 7504 +CONECT 7504 7503 +CONECT 7505 7506 +CONECT 7506 7505 7507 +CONECT 7507 7506 7508 +CONECT 7508 7507 7509 +CONECT 7509 7508 7510 +CONECT 7510 7509 7511 +CONECT 7511 7510 +CONECT 7512 7513 +CONECT 7513 7512 7514 +CONECT 7514 7513 7515 +CONECT 7515 7514 7516 +CONECT 7516 7515 7517 +CONECT 7517 7516 7518 +CONECT 7518 7517 7519 +CONECT 7519 7518 7520 +CONECT 7520 7519 7521 +CONECT 7521 7520 7522 +CONECT 7522 7521 +CONECT 7523 7524 +CONECT 7524 7523 7525 +CONECT 7525 7524 7526 +CONECT 7526 7525 7527 +CONECT 7527 7526 7528 +CONECT 7528 7527 7529 +CONECT 7529 7528 7530 +CONECT 7530 7529 7531 +CONECT 7531 7530 7532 +CONECT 7532 7531 +CONECT 7533 7534 +CONECT 7534 7533 7535 +CONECT 7535 7534 7536 +CONECT 7536 7535 7537 +CONECT 7537 7536 7538 +CONECT 7538 7537 7539 +CONECT 7539 7538 7540 +CONECT 7540 7539 7541 +CONECT 7541 7540 7542 +CONECT 7542 7541 7543 +CONECT 7543 7542 7544 +CONECT 7544 7543 7545 +CONECT 7545 7544 7546 +CONECT 7546 7545 +MASTER 527 0 23 13 69 0 25 6 8142 3 202 75 +END diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/parsed_pdbs.jsonl b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..ee9636fb192f2a8ab8f6cd4b691e43f516d52a53 --- 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[20.076, 9.473, 49.814], [20.579, 13.205, 49.457], [20.616, 16.466, 51.352], [20.718, 20.236, 51.207], [21.091, 23.102, 53.628], [17.708, 24.807, 54.042], [18.051, 28.065, 55.926], [20.011, 27.214, 59.057], [19.161, 23.525, 59.1], [20.28, 20.496, 57.163], [17.581, 18.51, 55.443], [18.39, 14.859, 54.825], [16.355, 12.518, 52.643], [16.831, 9.069, 54.073], [15.447, 5.708, 53.01], [14.308, 3.533, 55.936], [13.632, -0.203, 55.453], [12.292, -2.933, 57.665], [10.532, -6.258, 57.193], [10.11, -5.81, 53.444], [8.72, -2.286, 53.633], [10.651, 0.732, 52.332], [9.888, 4.302, 53.432], [11.125, 7.801, 52.577], [11.761, 9.852, 55.689], [12.975, 13.407, 56.146], [15.508, 14.281, 58.831], [15.997, 17.954, 59.618], [18.953, 18.92, 61.785], [19.776, 22.273, 63.355], [23.418, 22.556, 64.378], [23.916, 25.488, 66.721], [27.402, 26.364, 67.981], [28.974, 23.169, 66.639], [26.507, 20.955, 68.531], [23.321, 19.08, 67.562], [20.524, 21.296, 68.816], [17.262, 20.046, 67.347], [16.415, 17.077, 65.126], [13.085, 16.599, 63.409], [12.153, 13.313, 61.776], [9.088, 13.272, 59.537], [7.438, 10.301, 57.858], [3.735, 10.392, 57.071]], "C_chain_A": [[35.516, 19.181, 53.529], [33.835, 20.246, 56.472], [32.424, 21.668, 58.723], [30.875, 21.424, 61.352], [28.045, 21.144, 60.221], [28.428, 18.625, 58.602], [29.459, 16.766, 60.777], [26.977, 16.58, 62.491], [25.152, 15.408, 60.402], [26.83, 12.921, 59.83], [26.562, 11.609, 62.585], [23.641, 11.12, 62.474], [23.742, 9.311, 60.031], [25.597, 7.187, 61.182], [23.732, 6.145, 63.321], [21.733, 5.074, 61.25], [23.514, 3.243, 59.644], [24.422, 1.619, 62.24], [23.493, 1.584, 65.033], [25.271, 3.432, 67.346], [25.829, 4.473, 70.157], [28.568, 5.591, 69.685], [27.729, 7.873, 67.973], [25.765, 9.271, 69.778], [27.63, 10.133, 71.946], [29.225, 12.164, 70.07], [26.725, 14.189, 69.313], [25.32, 15.147, 72.075], [23.586, 16.509, 74.765], [21.4, 17.227, 76.67], [19.883, 19.001, 74.14], [18.479, 17.252, 72.148], [15.814, 16.879, 69.984], [13.215, 14.791, 68.796], [11.019, 13.732, 66.357], [8.511, 11.383, 65.495], [5.617, 11.906, 65.766], [5.97, 12.779, 69.006], [8.693, 12.188, 70.248], [11.14, 12.773, 72.507], [14.571, 13.629, 73.143], [17.412, 13.767, 75.307], [19.981, 12.179, 75.234], [19.346, 9.184, 75.593], [17.272, 8.974, 73.437], [19.264, 8.61, 71.249], [20.105, 5.892, 72.234], [17.42, 4.6, 71.996], [17.271, 4.767, 69.027], [19.569, 2.782, 68.557], [18.408, 0.378, 69.783], [16.076, 0.161, 67.749], [17.732, -0.411, 65.332], [18.974, -2.968, 66.397], [16.379, -4.492, 66.836], [15.096, -4.299, 63.928], [16.594, -3.31, 61.369], [16.837, -0.53, 60.144], [17.671, 1.442, 57.459], [19.7, 3.886, 56.222], [20.172, 6.366, 53.668], [21.132, 8.588, 51.81], [20.646, 10.787, 49.314], [20.267, 14.245, 50.522], [21.046, 17.824, 50.859], [20.686, 21.006, 52.51], [19.918, 24.019, 53.329], [17.639, 25.811, 55.176], [19.214, 27.689, 56.819], [19.807, 25.792, 59.584], [19.526, 22.664, 57.913], [19.11, 19.552, 56.986], [18.028, 17.274, 54.701], [17.2, 14.029, 54.397], [16.961, 11.15, 52.89], [15.812, 8.012, 53.681], [15.513, 4.779, 54.22], [13.552, 2.243, 55.625], [13.475, -1.054, 56.689], [11.196, -3.906, 57.263], [9.861, -6.201, 55.824], [9.414, -4.523, 53.038], [9.757, -1.167, 53.588], [9.951, 2.083, 52.441], [10.884, 5.43, 53.152], [10.835, 8.756, 53.723], [12.571, 11.114, 55.473], [13.554, 13.659, 57.513], [16.084, 15.679, 58.809], [16.836, 18.239, 60.853], [19.393, 20.364, 61.913], [21.031, 22.116, 64.2], [23.671, 23.966, 64.867], [25.19, 25.419, 67.548], [28.163, 25.044, 67.963], [28.334, 21.936, 67.267], [25.122, 20.677, 67.946], [22.274, 19.664, 68.485], [19.119, 20.714, 68.743], [17.234, 19.151, 66.116], [14.943, 16.776, 64.944], [12.96, 15.527, 62.351], [10.703, 13.266, 61.349], [8.891, 12.117, 58.572], [5.949, 10.026, 57.982], [3.267, 9.765, 55.77]], "O_chain_A": [[34.75, 19.627, 52.679], [34.466, 19.951, 57.486], [31.745, 20.64, 58.632], [30.444, 20.43, 61.936], [27.223, 20.37, 60.71], [27.666, 17.644, 58.56], [29.228, 15.556, 60.851], [26.587, 15.54, 63.01], [24.344, 14.49, 60.563], [26.43, 11.793, 59.561], [26.466, 10.42, 62.876], [23.133, 10.086, 62.899], [23.11, 8.253, 59.861], [25.565, 5.978, 60.976], [23.587, 5.004, 63.732], [21.208, 3.961, 61.365], [23.214, 2.143, 59.19], [24.797, 0.534, 62.681], [23.414, 0.602, 65.768], [25.628, 4.597, 67.202], [25.794, 5.601, 70.653], [28.946, 6.599, 70.283], [28.147, 9.011, 68.154], [25.567, 10.478, 69.921], [27.585, 11.13, 72.657], [29.904, 13.182, 70.145], [26.795, 15.401, 69.13], [26.4, 14.846, 72.582], [22.509, 16.12, 74.303], [20.32, 16.76, 77.023], [19.016, 19.744, 73.693], [18.171, 16.339, 72.914], [16.109, 17.485, 68.964], [12.702, 14.379, 69.847], [11.564, 13.984, 65.281], [8.025, 10.649, 66.357], [4.861, 11.02, 66.147], [5.876, 13.441, 70.042], [9.374, 12.559, 69.286], [10.86, 11.923, 73.362], [14.807, 14.512, 72.329], [17.271, 12.751, 75.992], [19.846, 11.725, 74.084], [19.535, 8.068, 75.133], [16.802, 8.045, 72.793], [19.141, 7.904, 70.238], [20.301, 4.917, 71.505], [17.186, 3.453, 71.614], [16.744, 3.928, 68.26], [19.568, 1.88, 67.714], [18.527, -0.796, 69.411], [15.514, -0.823, 67.273], [17.375, -1.244, 64.501], [19.117, -3.994, 65.744], [16.312, -5.687, 66.557], [14.345, -4.733, 63.062], [16.717, -3.592, 60.189], [17.874, -0.25, 60.724], [16.729, 1.724, 56.722], [20.833, 3.459, 56.399], [19.101, 6.761, 53.213], [21.922, 7.924, 51.14], [21.54, 10.807, 48.463], [19.441, 14.03, 51.403], [21.88, 17.95, 49.948], [20.154, 20.521, 53.506], [19.91, 24.707, 52.301], [17.308, 25.452, 56.305], [20.323, 27.467, 56.337], [20.162, 25.477, 60.718], [19.425, 23.084, 56.754], [18.544, 19.031, 57.959], [18.427, 17.355, 53.535], [16.231, 13.89, 55.157], [18.022, 10.811, 52.366], [14.608, 8.257, 53.699], [16.601, 4.461, 54.699], [12.391, 2.3, 55.229], [14.338, -1.043, 57.557], [10.101, -3.503, 56.86], [8.668, -6.468, 55.697], [8.959, -4.394, 51.905], [10.569, -1.042, 54.499], [8.934, 2.298, 51.817], [12.103, 5.252, 53.305], [9.722, 9.241, 53.893], [13.499, 11.135, 54.676], [12.845, 13.511, 58.513], [16.983, 15.964, 58.026], [16.401, 17.994, 61.976], [19.882, 20.939, 60.945], [20.986, 21.581, 65.294], [23.86, 24.873, 64.065], [25.32, 24.562, 68.418], [28.641, 24.59, 68.998], [28.902, 20.843, 67.213], [24.492, 21.583, 67.413], [22.176, 19.279, 69.665], [18.494, 20.423, 69.772], [17.819, 19.495, 65.079], [14.236, 16.503, 65.911], [13.432, 15.7, 61.239], [9.814, 13.225, 62.192], [9.69, 11.926, 57.664], [5.503, 9.336, 58.905], [3.96, 9.844, 54.754]]}, "name": "5L33", "num_of_chains": 1, "seq": "HMPEEEKAARLFIEALEKGDPELMRKVISPDTRMEDNGREFTGDEVVEYVKEIQKRGEQWHLRRYTKEGNSWRFEVQVDNNGQTEQWEVQIEVRNGRIKRVTITHV"} diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/seqs/5L33.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/seqs/5L33.fa new file mode 100644 index 0000000000000000000000000000000000000000..0e64d4e0634d275d909d1de5dfba5f073620ba70 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/seqs/5L33.fa @@ -0,0 +1,6 @@ +>5L33, score=1.5848, fixed_chains=[], designed_chains=['A'], model_name=v_48_020 +HMPEEEKAARLFIEALEKGDPELMRKVISPDTRMEDNGREFTGDEVVEYVKEIQKRGEQWHLRRYTKEGNSWRFEVQVDNNGQTEQWEVQIEVRNGRIKRVTITHV +>T=0.1, sample=0, score=0.8419, seq_recovery=0.4245 +SVDPETAKALAFVKALEKADPELMAKVITPDTEMEVNGKKYKGDEIVEYVKKLKEEGIKYKLLSYKKDGDKYVFTMEKSYKGKTYTVTIEIEVKDGKVAKVVITEK +>T=0.1, sample=0, score=0.8087, seq_recovery=0.4811 +SINEEEKKALDFIEALEKADPELMKKVIEPDTKMEVNGKKYEGEEIVKFVEELKKSGVKYKLKSYKKEGDKYVFTVEKSENGKTYTVTIEVKVENGKVKEVKITEE diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/seqs/6MRR.fa b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/seqs/6MRR.fa new file mode 100644 index 0000000000000000000000000000000000000000..9f520931522a3cbef28d1cb8eeacb32d1cbd912c --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/example_1_outputs/seqs/6MRR.fa @@ -0,0 +1,6 @@ +>6MRR, score=1.4854, fixed_chains=[], designed_chains=['A'], model_name=v_48_020 +GWSTELEKHREELKEFLKKEGITNVEIRIDNGRLEVRVEGGTERLKRFLEELRQKLEKKGYTVDIKIE +>T=0.1, sample=0, score=0.9197, seq_recovery=0.5147 +GIDPELEEKVEELKKFLKEKGIDNVEIEVEDGVLKIKVKGASEELKEFLKKLKEELEEKGYEVEVEIE +>T=0.1, sample=0, score=0.9356, seq_recovery=0.5588 +GKDPELEKYVKELKEFLKKQGITNVKIEVKDGTLTITTKGASEELKKFLEKLKKELEAKGYKVNVKIE diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/pdbs/5L33.pdb b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/pdbs/5L33.pdb new file mode 100644 index 0000000000000000000000000000000000000000..feae6262e619d563f677c64f3c7fe2ada3f00f43 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/pdbs/5L33.pdb @@ -0,0 +1,2236 @@ +HEADER DE NOVO PROTEIN 03-AUG-16 5L33 +TITLE CRYSTAL STRUCTURE OF A DE NOVO DESIGNED PROTEIN WITH CURVED BETA-SHEET +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: DENOVO NTF2; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; +SOURCE 3 ORGANISM_TAXID: 32630; +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008 +KEYWDS DE NOVO NTF2, DE NOVO PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR G.OBERDORFER,E.MARCOS,B.BASANTA,T.M.CHIDYAUSIKU,B.SANKARAN,D.BAKER +REVDAT 2 01-FEB-17 5L33 1 JRNL +REVDAT 1 25-JAN-17 5L33 0 +JRNL AUTH E.MARCOS,B.BASANTA,T.M.CHIDYAUSIKU,Y.TANG,G.OBERDORFER, +JRNL AUTH 2 G.LIU,G.V.SWAPNA,R.GUAN,D.A.SILVA,J.DOU,J.H.PEREIRA,R.XIAO, +JRNL AUTH 3 B.SANKARAN,P.H.ZWART,G.T.MONTELIONE,D.BAKER +JRNL TITL PRINCIPLES FOR DESIGNING PROTEINS WITH CAVITIES FORMED BY +JRNL TITL 2 CURVED BETA SHEETS. +JRNL REF SCIENCE V. 355 201 2017 +JRNL REFN ESSN 1095-9203 +JRNL PMID 28082595 +JRNL DOI 10.1126/SCIENCE.AAH7389 +REMARK 2 +REMARK 2 RESOLUTION. 2.00 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX DEV_1616 +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.20 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 +REMARK 3 COMPLETENESS FOR RANGE (%) : 92.1 +REMARK 3 NUMBER OF REFLECTIONS : 6503 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.174 +REMARK 3 R VALUE (WORKING SET) : 0.172 +REMARK 3 FREE R VALUE : 0.201 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.720 +REMARK 3 FREE R VALUE TEST SET COUNT : 307 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 50.2108 - 2.5199 0.94 3276 151 0.1653 0.1851 +REMARK 3 2 2.5199 - 2.0001 0.90 2920 156 0.1922 0.2433 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : NULL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : NULL +REMARK 3 B_SOL : NULL +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.160 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.520 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.007 937 +REMARK 3 ANGLE : 0.875 1265 +REMARK 3 CHIRALITY : 0.037 130 +REMARK 3 PLANARITY : 0.003 171 +REMARK 3 DIHEDRAL : 17.211 371 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 4 +REMARK 3 TLS GROUP : 1 +REMARK 3 SELECTION: CHAIN 'A' AND (RESID -1 THROUGH 25 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 27.5915 11.5904 63.3732 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0995 T22: 0.2882 +REMARK 3 T33: 0.1931 T12: 0.0367 +REMARK 3 T13: 0.0425 T23: 0.0131 +REMARK 3 L TENSOR +REMARK 3 L11: 0.0106 L22: 0.3384 +REMARK 3 L33: 0.7953 L12: 0.0029 +REMARK 3 L13: 0.2237 L23: 0.4597 +REMARK 3 S TENSOR +REMARK 3 S11: -0.0278 S12: -0.3008 S13: -0.1340 +REMARK 3 S21: -0.1052 S22: -0.0288 S23: -0.2702 +REMARK 3 S31: 0.0384 S32: 0.8099 S33: 0.0152 +REMARK 3 TLS GROUP : 2 +REMARK 3 SELECTION: CHAIN 'A' AND (RESID 26 THROUGH 36 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 15.7903 15.2078 70.2200 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0006 T22: 0.2225 +REMARK 3 T33: 0.2138 T12: -0.0064 +REMARK 3 T13: -0.0341 T23: -0.0912 +REMARK 3 L TENSOR +REMARK 3 L11: 0.1192 L22: 0.3572 +REMARK 3 L33: 0.2302 L12: -0.0803 +REMARK 3 L13: -0.1435 L23: -0.2097 +REMARK 3 S TENSOR +REMARK 3 S11: 0.4481 S12: 0.0666 S13: -0.1464 +REMARK 3 S21: 0.7042 S22: 0.0209 S23: 0.3380 +REMARK 3 S31: -0.7604 S32: -0.0328 S33: 0.0433 +REMARK 3 TLS GROUP : 3 +REMARK 3 SELECTION: CHAIN 'A' AND (RESID 37 THROUGH 66 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 17.3445 7.8822 64.1183 +REMARK 3 T TENSOR +REMARK 3 T11: 0.1947 T22: 0.1421 +REMARK 3 T33: 0.1259 T12: 0.0295 +REMARK 3 T13: 0.0347 T23: 0.0064 +REMARK 3 L TENSOR +REMARK 3 L11: 0.7606 L22: 0.6434 +REMARK 3 L33: 0.7246 L12: 0.4802 +REMARK 3 L13: 0.3939 L23: 0.9782 +REMARK 3 S TENSOR +REMARK 3 S11: 0.1883 S12: -0.2082 S13: 0.0173 +REMARK 3 S21: 0.1240 S22: -0.1681 S23: -0.0607 +REMARK 3 S31: 0.2345 S32: -0.0010 S33: 0.0196 +REMARK 3 TLS GROUP : 4 +REMARK 3 SELECTION: CHAIN 'A' AND (RESID 67 THROUGH 104 ) +REMARK 3 ORIGIN FOR THE GROUP (A): 15.8876 13.7542 59.3635 +REMARK 3 T TENSOR +REMARK 3 T11: 0.1669 T22: 0.1174 +REMARK 3 T33: 0.1550 T12: 0.0231 +REMARK 3 T13: 0.0127 T23: -0.0051 +REMARK 3 L TENSOR +REMARK 3 L11: 0.3388 L22: 0.2891 +REMARK 3 L33: 1.2752 L12: 0.1611 +REMARK 3 L13: -0.0725 L23: -0.6991 +REMARK 3 S TENSOR +REMARK 3 S11: 0.1410 S12: -0.1006 S13: 0.0162 +REMARK 3 S21: -0.1355 S22: -0.1534 S23: 0.0080 +REMARK 3 S31: -0.2327 S32: -0.2210 S33: -0.0032 +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 5L33 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-16. +REMARK 100 THE DEPOSITION ID IS D_1000223150. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 15-JAN-16 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ALS +REMARK 200 BEAMLINE : 8.2.1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : IMOSFLM 7.1.0 +REMARK 200 DATA SCALING SOFTWARE : AIMLESS 0.2.8 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6503 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.195 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 92.3 +REMARK 200 DATA REDUNDANCY : 7.800 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 24.6000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER 2.5.6 +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 35.86 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM MOPS/HEPES, PH 7.5, 12.5% +REMARK 280 PEG 1000, 12.5% PEG 3350 AND 12.5% 2-METHYL-2,4-PENTANEDIOL AND +REMARK 280 0.2 M OF AMINO ACIDS (SODIUM GLUTAMATE, DL-ALANINE, GLYCINE, DL- +REMARK 280 LYSINE HCL AND DL-SERINE), VAPOR DIFFUSION, HANGING DROP, +REMARK 280 TEMPERATURE 298K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 14.12500 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 50.19500 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 17.18000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 50.19500 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 14.12500 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 17.18000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A -3 +REMARK 465 SER A -2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O HOH A 206 O HOH A 232 2.11 +REMARK 500 OE2 GLU A 15 O HOH A 201 2.12 +REMARK 500 OE1 GLU A 15 O HOH A 202 2.17 +REMARK 500 OD2 ASP A 29 O HOH A 203 2.18 +REMARK 500 NH2 ARG A 31 O HOH A 204 2.19 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 5L33 A -3 104 PDB 5L33 5L33 -3 104 +SEQRES 1 A 108 GLY SER HIS MET PRO GLU GLU GLU LYS ALA ALA ARG LEU +SEQRES 2 A 108 PHE ILE GLU ALA LEU GLU LYS GLY ASP PRO GLU LEU MET +SEQRES 3 A 108 ARG LYS VAL ILE SER PRO ASP THR ARG MET GLU ASP ASN +SEQRES 4 A 108 GLY ARG GLU PHE THR GLY ASP GLU VAL VAL GLU TYR VAL +SEQRES 5 A 108 LYS GLU ILE GLN LYS ARG GLY GLU GLN TRP HIS LEU ARG +SEQRES 6 A 108 ARG TYR THR LYS GLU GLY ASN SER TRP ARG PHE GLU VAL +SEQRES 7 A 108 GLN VAL ASP ASN ASN GLY GLN THR GLU GLN TRP GLU VAL +SEQRES 8 A 108 GLN ILE GLU VAL ARG ASN GLY ARG ILE LYS ARG VAL THR +SEQRES 9 A 108 ILE THR HIS VAL +FORMUL 2 HOH *69(H2 O) +HELIX 1 AA1 PRO A 1 GLY A 17 1 17 +HELIX 2 AA2 ASP A 18 ILE A 26 1 9 +HELIX 3 AA3 GLY A 41 GLY A 55 1 15 +SHEET 1 AA1 6 ARG A 37 THR A 40 0 +SHEET 2 AA1 6 ARG A 31 ASP A 34 -1 N MET A 32 O PHE A 39 +SHEET 3 AA1 6 ARG A 95 THR A 102 1 O ILE A 101 N GLU A 33 +SHEET 4 AA1 6 GLN A 81 ARG A 92 -1 N GLN A 88 O THR A 100 +SHEET 5 AA1 6 SER A 69 ASN A 78 -1 N PHE A 72 O VAL A 87 +SHEET 6 AA1 6 GLN A 57 GLU A 66 -1 N GLN A 57 O ASP A 77 +CRYST1 28.250 34.360 100.390 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.035398 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.029103 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009961 0.00000 +ATOM 1 N HIS A -1 37.000 18.222 51.819 1.00 65.70 N +ANISOU 1 N HIS A -1 7281 9719 7965 -722 1021 -356 N +ATOM 2 CA HIS A -1 36.936 18.773 53.168 1.00 70.42 C +ANISOU 2 CA HIS A -1 7826 10397 8532 -778 934 -356 C +ATOM 3 C HIS A -1 35.516 19.181 53.529 1.00 72.52 C +ANISOU 3 C HIS A -1 8240 10500 8814 -823 887 -372 C +ATOM 4 O HIS A -1 34.750 19.627 52.679 1.00 73.04 O +ANISOU 4 O HIS A -1 8474 10394 8883 -896 906 -417 O +ATOM 5 CB HIS A -1 37.871 19.980 53.316 1.00 70.20 C +ANISOU 5 CB HIS A -1 7762 10490 8422 -949 904 -408 C +ATOM 6 CG HIS A -1 37.832 20.610 54.678 1.00 68.26 C +ANISOU 6 CG HIS A -1 7474 10324 8138 -1008 815 -411 C +ATOM 7 ND1 HIS A -1 38.379 20.011 55.794 1.00 68.02 N +ANISOU 7 ND1 HIS A -1 7290 10441 8114 -907 780 -364 N +ATOM 8 CD2 HIS A -1 37.303 21.782 55.105 1.00 66.33 C +ANISOU 8 CD2 HIS A -1 7333 10025 7845 -1148 751 -456 C +ATOM 9 CE1 HIS A -1 38.193 20.788 56.846 1.00 68.59 C +ANISOU 9 CE1 HIS A -1 7369 10549 8144 -986 703 -377 C +ATOM 10 NE2 HIS A -1 37.543 21.869 56.456 1.00 68.02 N +ANISOU 10 NE2 HIS A -1 7450 10358 8038 -1130 684 -432 N +ATOM 11 N MET A 0 35.180 19.045 54.805 1.00 74.13 N +ANISOU 11 N MET A 0 8387 10754 9026 -782 820 -342 N +ATOM 12 CA MET A 0 33.829 19.307 55.268 1.00 64.64 C +ANISOU 12 CA MET A 0 7308 9408 7843 -808 773 -355 C +ATOM 13 C MET A 0 33.835 20.246 56.472 1.00 54.23 C +ANISOU 13 C MET A 0 5967 8165 6473 -912 679 -373 C +ATOM 14 O MET A 0 34.466 19.951 57.486 1.00 56.07 O +ANISOU 14 O MET A 0 6058 8551 6694 -854 643 -332 O +ATOM 15 CB MET A 0 33.149 17.983 55.612 1.00 65.98 C +ANISOU 15 CB MET A 0 7451 9534 8086 -620 790 -294 C +ATOM 16 CG MET A 0 31.648 18.034 55.700 1.00 63.21 C +ANISOU 16 CG MET A 0 7252 8994 7769 -629 772 -317 C +ATOM 17 SD MET A 0 31.011 16.369 55.920 1.00 53.17 S +ANISOU 17 SD MET A 0 5955 7668 6581 -384 802 -248 S +ATOM 18 CE MET A 0 30.877 15.829 54.209 1.00 35.55 C +ANISOU 18 CE MET A 0 3854 5258 4395 -312 893 -262 C +ATOM 19 N PRO A 1 33.142 21.390 56.357 1.00 44.33 N +ANISOU 19 N PRO A 1 4868 6792 5183 -1055 635 -437 N +ATOM 20 CA PRO A 1 33.003 22.335 57.475 1.00 42.11 C +ANISOU 20 CA PRO A 1 4597 6556 4847 -1140 543 -456 C +ATOM 21 C PRO A 1 32.424 21.668 58.723 1.00 42.39 C +ANISOU 21 C PRO A 1 4565 6618 4922 -1037 494 -403 C +ATOM 22 O PRO A 1 31.745 20.640 58.632 1.00 35.83 O +ANISOU 22 O PRO A 1 3735 5716 4161 -921 524 -367 O +ATOM 23 CB PRO A 1 32.049 23.403 56.931 1.00 41.00 C +ANISOU 23 CB PRO A 1 4677 6228 4674 -1252 515 -528 C +ATOM 24 CG PRO A 1 31.425 22.792 55.691 1.00 42.97 C +ANISOU 24 CG PRO A 1 5034 6308 4985 -1212 583 -542 C +ATOM 25 CD PRO A 1 32.443 21.848 55.147 1.00 41.17 C +ANISOU 25 CD PRO A 1 4660 6197 4787 -1130 666 -496 C +ATOM 26 N GLU A 2 32.697 22.256 59.882 1.00 44.50 N +ANISOU 26 N GLU A 2 4783 6985 5139 -1073 423 -398 N +ATOM 27 CA GLU A 2 32.383 21.616 61.147 1.00 45.55 C +ANISOU 27 CA GLU A 2 4834 7173 5300 -974 376 -343 C +ATOM 28 C GLU A 2 30.875 21.424 61.352 1.00 39.29 C +ANISOU 28 C GLU A 2 4160 6212 4556 -949 346 -349 C +ATOM 29 O GLU A 2 30.444 20.430 61.936 1.00 36.97 O +ANISOU 29 O GLU A 2 3806 5927 4314 -831 341 -298 O +ATOM 30 CB GLU A 2 32.973 22.425 62.297 1.00 56.76 C +ANISOU 30 CB GLU A 2 6204 8715 6648 -1030 311 -344 C +ATOM 31 CG GLU A 2 33.026 21.671 63.611 1.00 69.12 C +ANISOU 31 CG GLU A 2 7658 10373 8233 -919 270 -282 C +ATOM 32 CD GLU A 2 33.393 22.564 64.779 1.00 76.60 C +ANISOU 32 CD GLU A 2 8590 11404 9109 -978 210 -287 C +ATOM 33 OE1 GLU A 2 33.775 23.728 64.541 1.00 81.03 O +ANISOU 33 OE1 GLU A 2 9208 11976 9605 -1096 208 -334 O +ATOM 34 OE2 GLU A 2 33.293 22.105 65.937 1.00 77.29 O +ANISOU 34 OE2 GLU A 2 8618 11543 9205 -903 170 -242 O +ATOM 35 N GLU A 3 30.075 22.366 60.868 1.00 34.72 N +ANISOU 35 N GLU A 3 3759 5478 3957 -1046 326 -412 N +ATOM 36 CA GLU A 3 28.630 22.278 61.041 1.00 33.18 C +ANISOU 36 CA GLU A 3 3696 5106 3805 -1019 292 -427 C +ATOM 37 C GLU A 3 28.045 21.144 60.221 1.00 30.52 C +ANISOU 37 C GLU A 3 3379 4663 3556 -945 358 -420 C +ATOM 38 O GLU A 3 27.223 20.370 60.710 1.00 32.54 O +ANISOU 38 O GLU A 3 3628 4866 3868 -866 349 -396 O +ATOM 39 CB GLU A 3 27.955 23.591 60.652 1.00 41.94 C +ANISOU 39 CB GLU A 3 5006 6058 4869 -1079 266 -474 C +ATOM 40 CG GLU A 3 26.435 23.513 60.639 1.00 44.88 C +ANISOU 40 CG GLU A 3 5526 6223 5303 -996 238 -467 C +ATOM 41 CD GLU A 3 25.776 24.831 60.258 1.00 48.24 C +ANISOU 41 CD GLU A 3 6099 6512 5719 -972 218 -448 C +ATOM 42 OE1 GLU A 3 26.322 25.897 60.611 1.00 50.33 O +ANISOU 42 OE1 GLU A 3 6352 6849 5923 -1031 208 -443 O +ATOM 43 OE2 GLU A 3 24.709 24.805 59.608 1.00 47.76 O +ANISOU 43 OE2 GLU A 3 6142 6282 5723 -875 203 -424 O +ATOM 44 N GLU A 4 28.465 21.048 58.967 1.00 26.50 N +ANISOU 44 N GLU A 4 2901 4115 3052 -963 435 -439 N +ATOM 45 CA GLU A 4 27.969 19.998 58.095 1.00 24.62 C +ANISOU 45 CA GLU A 4 2714 3752 2890 -859 515 -425 C +ATOM 46 C GLU A 4 28.428 18.625 58.602 1.00 23.55 C +ANISOU 46 C GLU A 4 2422 3734 2792 -664 540 -333 C +ATOM 47 O GLU A 4 27.666 17.644 58.560 1.00 21.35 O +ANISOU 47 O GLU A 4 2208 3322 2580 -509 540 -297 O +ATOM 48 CB GLU A 4 28.434 20.229 56.659 1.00 21.58 C +ANISOU 48 CB GLU A 4 2398 3309 2493 -913 595 -461 C +ATOM 49 CG GLU A 4 27.890 19.190 55.680 1.00 22.42 C +ANISOU 49 CG GLU A 4 2610 3234 2676 -753 647 -440 C +ATOM 50 CD GLU A 4 28.402 19.393 54.271 1.00 27.38 C +ANISOU 50 CD GLU A 4 3300 3813 3289 -804 729 -474 C +ATOM 51 OE1 GLU A 4 29.111 20.402 54.050 1.00 32.91 O +ANISOU 51 OE1 GLU A 4 3984 4601 3918 -960 728 -516 O +ATOM 52 OE2 GLU A 4 28.110 18.539 53.399 1.00 27.62 O +ANISOU 52 OE2 GLU A 4 3403 3714 3379 -674 779 -455 O +ATOM 53 N LYS A 5 29.669 18.568 59.079 1.00 22.07 N +ANISOU 53 N LYS A 5 2040 3786 2561 -667 554 -298 N +ATOM 54 CA LYS A 5 30.255 17.336 59.605 1.00 24.78 C +ANISOU 54 CA LYS A 5 2228 4260 2929 -486 568 -215 C +ATOM 55 C LYS A 5 29.459 16.766 60.777 1.00 25.43 C +ANISOU 55 C LYS A 5 2301 4322 3040 -391 506 -172 C +ATOM 56 O LYS A 5 29.228 15.556 60.851 1.00 27.94 O +ANISOU 56 O LYS A 5 2612 4597 3408 -210 518 -111 O +ATOM 57 CB LYS A 5 31.707 17.579 60.046 1.00 30.60 C +ANISOU 57 CB LYS A 5 2820 5191 3614 -504 545 -193 C +ATOM 58 CG LYS A 5 32.358 16.401 60.790 1.00 36.72 C +ANISOU 58 CG LYS A 5 3455 6090 4408 -328 535 -116 C +ATOM 59 CD LYS A 5 33.781 16.730 61.277 1.00 40.47 C +ANISOU 59 CD LYS A 5 3800 6750 4827 -363 510 -113 C +ATOM 60 CE LYS A 5 34.341 15.630 62.184 1.00 41.82 C +ANISOU 60 CE LYS A 5 3855 7028 5007 -203 482 -47 C +ATOM 61 NZ LYS A 5 35.803 15.802 62.463 1.00 41.44 N +ANISOU 61 NZ LYS A 5 3681 7157 4906 -221 475 -52 N +ATOM 62 N ALA A 6 29.059 17.634 61.702 1.00 23.13 N +ANISOU 62 N ALA A 6 2021 4052 2715 -508 431 -200 N +ATOM 63 CA ALA A 6 28.319 17.193 62.883 1.00 22.45 C +ANISOU 63 CA ALA A 6 1932 3948 2650 -432 364 -162 C +ATOM 64 C ALA A 6 26.977 16.580 62.491 1.00 19.15 C +ANISOU 64 C ALA A 6 1696 3277 2303 -337 360 -163 C +ATOM 65 O ALA A 6 26.587 15.540 63.010 1.00 16.20 O +ANISOU 65 O ALA A 6 1312 2876 1968 -189 349 -104 O +ATOM 66 CB ALA A 6 28.110 18.351 63.838 1.00 20.84 C +ANISOU 66 CB ALA A 6 1747 3775 2395 -575 276 -200 C +ATOM 67 N ALA A 7 26.271 17.240 61.580 1.00 16.65 N +ANISOU 67 N ALA A 7 1549 2776 2000 -426 367 -235 N +ATOM 68 CA ALA A 7 24.978 16.740 61.124 1.00 18.53 C +ANISOU 68 CA ALA A 7 1964 2769 2306 -345 364 -249 C +ATOM 69 C ALA A 7 25.152 15.408 60.402 1.00 17.71 C +ANISOU 69 C ALA A 7 1857 2613 2258 -163 434 -190 C +ATOM 70 O ALA A 7 24.344 14.490 60.563 1.00 17.11 O +ANISOU 70 O ALA A 7 1847 2418 2237 -34 427 -156 O +ATOM 71 CB ALA A 7 24.291 17.769 60.223 1.00 17.04 C +ANISOU 71 CB ALA A 7 1957 2402 2116 -477 356 -345 C +ATOM 72 N ARG A 8 26.225 15.306 59.622 1.00 19.44 N +ANISOU 72 N ARG A 8 1998 2928 2459 -157 500 -178 N +ATOM 73 CA ARG A 8 26.544 14.088 58.891 1.00 16.43 C +ANISOU 73 CA ARG A 8 1600 2519 2124 13 568 -124 C +ATOM 74 C ARG A 8 26.830 12.921 59.830 1.00 18.78 C +ANISOU 74 C ARG A 8 1773 2928 2434 177 553 -34 C +ATOM 75 O ARG A 8 26.430 11.793 59.561 1.00 20.42 O +ANISOU 75 O ARG A 8 2032 3033 2696 337 576 12 O +ATOM 76 CB ARG A 8 27.737 14.309 57.972 1.00 18.02 C +ANISOU 76 CB ARG A 8 1721 2833 2294 -28 639 -135 C +ATOM 77 CG ARG A 8 27.380 14.928 56.637 1.00 23.25 C +ANISOU 77 CG ARG A 8 2545 3325 2966 -117 679 -205 C +ATOM 78 CD ARG A 8 26.461 14.020 55.842 1.00 25.80 C +ANISOU 78 CD ARG A 8 3017 3418 3367 23 707 -193 C +ATOM 79 NE ARG A 8 27.102 12.767 55.448 1.00 29.10 N +ANISOU 79 NE ARG A 8 3350 3893 3816 199 767 -124 N +ATOM 80 CZ ARG A 8 27.911 12.630 54.395 1.00 33.32 C +ANISOU 80 CZ ARG A 8 3852 4466 4343 212 842 -129 C +ATOM 81 NH1 ARG A 8 28.209 13.673 53.626 1.00 32.20 N +ANISOU 81 NH1 ARG A 8 3759 4313 4161 52 870 -196 N +ATOM 82 NH2 ARG A 8 28.434 11.443 54.110 1.00 37.36 N +ANISOU 82 NH2 ARG A 8 4286 5027 4883 385 887 -67 N +ATOM 83 N LEU A 9 27.541 13.181 60.918 1.00 18.59 N +ANISOU 83 N LEU A 9 1592 3114 2357 140 514 -11 N +ATOM 84 CA LEU A 9 27.832 12.133 61.893 1.00 20.36 C +ANISOU 84 CA LEU A 9 1703 3450 2584 291 492 71 C +ATOM 85 C LEU A 9 26.562 11.609 62.585 1.00 20.22 C +ANISOU 85 C LEU A 9 1796 3281 2606 359 442 95 C +ATOM 86 O LEU A 9 26.466 10.420 62.876 1.00 20.03 O +ANISOU 86 O LEU A 9 1759 3242 2610 523 445 163 O +ATOM 87 CB LEU A 9 28.832 12.643 62.934 1.00 17.28 C +ANISOU 87 CB LEU A 9 1126 3315 2125 222 455 83 C +ATOM 88 CG LEU A 9 30.247 12.833 62.390 1.00 21.40 C +ANISOU 88 CG LEU A 9 1553 3965 2615 188 487 71 C +ATOM 89 CD1 LEU A 9 31.120 13.409 63.482 1.00 24.69 C +ANISOU 89 CD1 LEU A 9 1859 4551 2970 109 423 71 C +ATOM 90 CD2 LEU A 9 30.796 11.510 61.911 1.00 21.76 C +ANISOU 90 CD2 LEU A 9 1581 3992 2693 363 518 122 C +ATOM 91 N PHE A 10 25.603 12.501 62.842 1.00 16.60 N +ANISOU 91 N PHE A 10 1447 2713 2146 231 396 34 N +ATOM 92 CA PHE A 10 24.312 12.112 63.413 1.00 16.10 C +ANISOU 92 CA PHE A 10 1499 2497 2121 275 353 39 C +ATOM 93 C PHE A 10 23.641 11.120 62.474 1.00 13.42 C +ANISOU 93 C PHE A 10 1289 1958 1851 408 401 55 C +ATOM 94 O PHE A 10 23.133 10.086 62.899 1.00 12.32 O +ANISOU 94 O PHE A 10 1178 1759 1744 537 393 109 O +ATOM 95 CB PHE A 10 23.414 13.342 63.631 1.00 11.09 C +ANISOU 95 CB PHE A 10 968 1771 1474 108 299 -47 C +ATOM 96 CG PHE A 10 22.105 13.037 64.320 1.00 12.27 C +ANISOU 96 CG PHE A 10 1220 1787 1655 139 251 -52 C +ATOM 97 CD1 PHE A 10 21.006 12.609 63.603 1.00 13.48 C +ANISOU 97 CD1 PHE A 10 1537 1714 1870 193 270 -81 C +ATOM 98 CD2 PHE A 10 21.989 13.180 65.694 1.00 16.21 C +ANISOU 98 CD2 PHE A 10 1648 2393 2119 110 189 -32 C +ATOM 99 CE1 PHE A 10 19.818 12.317 64.242 1.00 15.00 C +ANISOU 99 CE1 PHE A 10 1816 1793 2089 217 229 -91 C +ATOM 100 CE2 PHE A 10 20.791 12.897 66.345 1.00 16.42 C +ANISOU 100 CE2 PHE A 10 1764 2305 2170 132 148 -41 C +ATOM 101 CZ PHE A 10 19.708 12.465 65.616 1.00 16.90 C +ANISOU 101 CZ PHE A 10 1984 2145 2293 183 170 -72 C +ATOM 102 N ILE A 11 23.621 11.465 61.194 1.00 12.55 N +ANISOU 102 N ILE A 11 1264 1741 1763 370 449 6 N +ATOM 103 CA ILE A 11 23.007 10.631 60.175 1.00 12.99 C +ANISOU 103 CA ILE A 11 1450 1602 1886 484 496 12 C +ATOM 104 C ILE A 11 23.742 9.311 60.031 1.00 15.05 C +ANISOU 104 C ILE A 11 1640 1932 2146 621 504 90 C +ATOM 105 O ILE A 11 23.110 8.253 59.861 1.00 15.69 O +ANISOU 105 O ILE A 11 1822 1904 2235 644 442 107 O +ATOM 106 CB ILE A 11 22.987 11.358 58.806 1.00 17.54 C +ANISOU 106 CB ILE A 11 2127 2066 2472 397 539 -61 C +ATOM 107 CG1 ILE A 11 22.132 12.623 58.891 1.00 16.26 C +ANISOU 107 CG1 ILE A 11 2078 1803 2295 230 487 -155 C +ATOM 108 CG2 ILE A 11 22.487 10.439 57.696 1.00 16.04 C +ANISOU 108 CG2 ILE A 11 2053 1742 2300 444 500 -42 C +ATOM 109 CD1 ILE A 11 20.682 12.394 59.252 1.00 11.37 C +ANISOU 109 CD1 ILE A 11 1581 1042 1697 236 404 -165 C +ATOM 110 N GLU A 12 25.073 9.367 60.115 1.00 15.46 N +ANISOU 110 N GLU A 12 1524 2188 2162 646 543 122 N +ATOM 111 CA GLU A 12 25.910 8.164 60.045 1.00 17.98 C +ANISOU 111 CA GLU A 12 1790 2572 2470 740 523 177 C +ATOM 112 C GLU A 12 25.597 7.187 61.182 1.00 18.78 C +ANISOU 112 C GLU A 12 1901 2674 2561 801 456 232 C +ATOM 113 O GLU A 12 25.565 5.978 60.976 1.00 18.90 O +ANISOU 113 O GLU A 12 1977 2624 2581 859 434 261 O +ATOM 114 CB GLU A 12 27.395 8.530 60.088 1.00 30.75 C +ANISOU 114 CB GLU A 12 3224 4417 4041 725 556 185 C +ATOM 115 CG GLU A 12 28.349 7.343 59.967 1.00 46.67 C +ANISOU 115 CG GLU A 12 5191 6494 6047 827 544 231 C +ATOM 116 CD GLU A 12 28.452 6.815 58.541 1.00 60.99 C +ANISOU 116 CD GLU A 12 7085 8197 7892 859 582 215 C +ATOM 117 OE1 GLU A 12 27.648 5.938 58.161 1.00 61.08 O +ANISOU 117 OE1 GLU A 12 7235 8041 7932 895 552 226 O +ATOM 118 OE2 GLU A 12 29.335 7.283 57.789 1.00 74.12 O +ANISOU 118 OE2 GLU A 12 8671 9948 9542 828 636 185 O +ATOM 119 N ALA A 13 25.367 7.722 62.376 1.00 13.62 N +ANISOU 119 N ALA A 13 1187 2103 1886 773 427 241 N +ATOM 120 CA ALA A 13 25.045 6.895 63.536 1.00 15.64 C +ANISOU 120 CA ALA A 13 1456 2362 2125 821 370 289 C +ATOM 121 C ALA A 13 23.732 6.145 63.321 1.00 15.52 C +ANISOU 121 C ALA A 13 1618 2136 2143 811 343 274 C +ATOM 122 O ALA A 13 23.587 5.004 63.732 1.00 18.30 O +ANISOU 122 O ALA A 13 2007 2462 2484 850 316 306 O +ATOM 123 CB ALA A 13 24.971 7.746 64.788 1.00 15.54 C +ANISOU 123 CB ALA A 13 1347 2478 2080 770 336 293 C +ATOM 124 N LEU A 14 22.785 6.789 62.655 1.00 16.42 N +ANISOU 124 N LEU A 14 1835 2115 2288 736 347 212 N +ATOM 125 CA LEU A 14 21.519 6.158 62.308 1.00 17.36 C +ANISOU 125 CA LEU A 14 2096 2078 2423 674 300 173 C +ATOM 126 C LEU A 14 21.733 5.074 61.250 1.00 21.74 C +ANISOU 126 C LEU A 14 2691 2596 2975 697 312 188 C +ATOM 127 O LEU A 14 21.208 3.961 61.365 1.00 20.42 O +ANISOU 127 O LEU A 14 2579 2397 2782 721 321 230 O +ATOM 128 CB LEU A 14 20.521 7.224 61.821 1.00 15.31 C +ANISOU 128 CB LEU A 14 1918 1721 2180 569 278 95 C +ATOM 129 CG LEU A 14 20.155 8.328 62.828 1.00 16.11 C +ANISOU 129 CG LEU A 14 2003 1836 2284 543 277 76 C +ATOM 130 CD1 LEU A 14 19.245 9.363 62.191 1.00 18.47 C +ANISOU 130 CD1 LEU A 14 2396 2035 2585 426 243 -10 C +ATOM 131 CD2 LEU A 14 19.500 7.730 64.030 1.00 18.61 C +ANISOU 131 CD2 LEU A 14 2324 2158 2590 550 229 98 C +ATOM 132 N GLU A 15 22.499 5.420 60.214 1.00 18.58 N +ANISOU 132 N GLU A 15 2263 2210 2586 705 344 172 N +ATOM 133 CA GLU A 15 22.821 4.501 59.135 1.00 21.35 C +ANISOU 133 CA GLU A 15 2648 2537 2925 745 379 206 C +ATOM 134 C GLU A 15 23.514 3.243 59.644 1.00 24.12 C +ANISOU 134 C GLU A 15 2953 2956 3255 841 384 269 C +ATOM 135 O GLU A 15 23.214 2.143 59.190 1.00 26.01 O +ANISOU 135 O GLU A 15 3256 3156 3471 872 406 307 O +ATOM 136 CB GLU A 15 23.711 5.183 58.092 1.00 21.97 C +ANISOU 136 CB GLU A 15 2682 2641 3023 740 409 169 C +ATOM 137 CG GLU A 15 22.980 6.139 57.180 1.00 30.63 C +ANISOU 137 CG GLU A 15 3866 3645 4128 650 415 119 C +ATOM 138 CD GLU A 15 23.848 6.598 56.011 1.00 32.66 C +ANISOU 138 CD GLU A 15 4099 3917 4395 654 464 95 C +ATOM 139 OE1 GLU A 15 23.674 6.049 54.912 1.00 25.97 O +ANISOU 139 OE1 GLU A 15 3317 3009 3541 651 481 116 O +ATOM 140 OE2 GLU A 15 24.702 7.505 56.194 1.00 35.11 O +ANISOU 140 OE2 GLU A 15 4324 4311 4706 674 536 91 O +ATOM 141 N LYS A 16 24.449 3.414 60.569 1.00 24.10 N +ANISOU 141 N LYS A 16 2833 3072 3250 887 370 282 N +ATOM 142 CA LYS A 16 25.190 2.299 61.114 1.00 24.94 C +ANISOU 142 CA LYS A 16 2889 3254 3331 975 364 336 C +ATOM 143 C LYS A 16 24.422 1.619 62.240 1.00 28.21 C +ANISOU 143 C LYS A 16 3352 3646 3721 986 338 371 C +ATOM 144 O LYS A 16 24.797 0.534 62.681 1.00 33.29 O +ANISOU 144 O LYS A 16 3986 4328 4333 1061 338 420 O +ATOM 145 CB LYS A 16 26.548 2.765 61.624 1.00 24.54 C +ANISOU 145 CB LYS A 16 2687 3385 3251 1040 385 371 C +ATOM 146 CG LYS A 16 27.505 3.249 60.559 1.00 30.53 C +ANISOU 146 CG LYS A 16 3376 4206 4016 1050 431 353 C +ATOM 147 CD LYS A 16 27.904 2.125 59.632 1.00 42.81 C +ANISOU 147 CD LYS A 16 4970 5718 5579 1102 440 361 C +ATOM 148 CE LYS A 16 28.719 2.637 58.442 1.00 51.49 C +ANISOU 148 CE LYS A 16 6015 6860 6690 1100 491 333 C +ATOM 149 NZ LYS A 16 30.145 2.215 58.516 1.00 58.78 N +ANISOU 149 NZ LYS A 16 6808 7941 7583 1180 505 358 N +ATOM 150 N GLY A 17 23.344 2.250 62.700 1.00 22.52 N +ANISOU 150 N GLY A 17 2683 2863 3012 913 318 341 N +ATOM 151 CA GLY A 17 22.592 1.729 63.824 1.00 21.20 C +ANISOU 151 CA GLY A 17 2552 2680 2823 914 296 363 C +ATOM 152 C GLY A 17 23.493 1.584 65.033 1.00 23.52 C +ANISOU 152 C GLY A 17 2743 3095 3100 972 265 399 C +ATOM 153 O GLY A 17 23.414 0.602 65.768 1.00 27.98 O +ANISOU 153 O GLY A 17 3325 3672 3634 1022 259 441 O +ATOM 154 N ASP A 18 24.374 2.554 65.225 1.00 21.12 N +ANISOU 154 N ASP A 18 2328 2915 2781 992 277 412 N +ATOM 155 CA ASP A 18 25.424 2.426 66.209 1.00 25.64 C +ANISOU 155 CA ASP A 18 2783 3654 3307 1060 264 465 C +ATOM 156 C ASP A 18 25.271 3.432 67.346 1.00 26.34 C +ANISOU 156 C ASP A 18 2800 3837 3372 1021 236 470 C +ATOM 157 O ASP A 18 25.628 4.597 67.202 1.00 26.22 O +ANISOU 157 O ASP A 18 2698 3910 3353 974 243 448 O +ATOM 158 CB ASP A 18 26.785 2.591 65.548 1.00 31.97 C +ANISOU 158 CB ASP A 18 3477 4577 4095 1104 290 472 C +ATOM 159 CG ASP A 18 27.922 2.548 66.545 1.00 39.39 C +ANISOU 159 CG ASP A 18 4280 5707 4979 1155 267 511 C +ATOM 160 OD1 ASP A 18 27.727 1.986 67.644 1.00 39.89 O +ANISOU 160 OD1 ASP A 18 4356 5785 5015 1185 233 544 O +ATOM 161 OD2 ASP A 18 29.006 3.089 66.231 1.00 43.43 O +ANISOU 161 OD2 ASP A 18 4673 6356 5472 1155 281 502 O +ATOM 162 N PRO A 19 24.763 2.964 68.494 1.00 28.34 N +ANISOU 162 N PRO A 19 3081 4082 3605 1030 203 495 N +ATOM 163 CA PRO A 19 24.548 3.825 69.667 1.00 27.68 C +ANISOU 163 CA PRO A 19 2934 4088 3494 987 167 501 C +ATOM 164 C PRO A 19 25.829 4.473 70.157 1.00 23.37 C +ANISOU 164 C PRO A 19 2226 3755 2900 987 151 517 C +ATOM 165 O PRO A 19 25.794 5.601 70.653 1.00 24.01 O +ANISOU 165 O PRO A 19 2233 3925 2963 908 127 496 O +ATOM 166 CB PRO A 19 23.995 2.862 70.724 1.00 26.54 C +ANISOU 166 CB PRO A 19 2852 3900 3333 1018 140 532 C +ATOM 167 CG PRO A 19 23.436 1.708 69.944 1.00 32.33 C +ANISOU 167 CG PRO A 19 3710 4475 4100 1037 164 519 C +ATOM 168 CD PRO A 19 24.308 1.580 68.728 1.00 32.49 C +ANISOU 168 CD PRO A 19 3702 4512 4132 1070 196 513 C +ATOM 169 N GLU A 20 26.944 3.770 70.035 1.00 21.45 N +ANISOU 169 N GLU A 20 1926 3594 2631 1061 159 545 N +ATOM 170 CA GLU A 20 28.216 4.325 70.466 1.00 28.12 C +ANISOU 170 CA GLU A 20 2618 4640 3427 1051 142 549 C +ATOM 171 C GLU A 20 28.568 5.591 69.685 1.00 31.21 C +ANISOU 171 C GLU A 20 2934 5097 3828 961 164 499 C +ATOM 172 O GLU A 20 28.946 6.599 70.283 1.00 33.60 O +ANISOU 172 O GLU A 20 3141 5531 4095 873 138 478 O +ATOM 173 CB GLU A 20 29.332 3.289 70.334 1.00 28.60 C +ANISOU 173 CB GLU A 20 2639 4765 3463 1155 149 580 C +ATOM 174 CG GLU A 20 29.223 2.188 71.371 1.00 36.15 C +ANISOU 174 CG GLU A 20 3637 5706 4392 1231 120 625 C +ATOM 175 CD GLU A 20 29.172 2.733 72.797 1.00 39.12 C +ANISOU 175 CD GLU A 20 3956 6183 4726 1188 73 637 C +ATOM 176 OE1 GLU A 20 30.055 3.539 73.161 1.00 41.70 O +ANISOU 176 OE1 GLU A 20 4158 6671 5015 1145 55 623 O +ATOM 177 OE2 GLU A 20 28.246 2.363 73.548 1.00 37.97 O +ANISOU 177 OE2 GLU A 20 3890 5954 4582 1187 54 655 O +ATOM 178 N LEU A 21 28.442 5.552 68.362 1.00 27.38 N +ANISOU 178 N LEU A 21 2499 4516 3386 968 211 475 N +ATOM 179 CA LEU A 21 28.703 6.763 67.587 1.00 27.66 C +ANISOU 179 CA LEU A 21 2474 4604 3431 871 239 422 C +ATOM 180 C LEU A 21 27.729 7.873 67.973 1.00 21.96 C +ANISOU 180 C LEU A 21 1772 3855 2718 759 219 385 C +ATOM 181 O LEU A 21 28.147 9.011 68.154 1.00 27.48 O +ANISOU 181 O LEU A 21 2383 4674 3386 644 208 347 O +ATOM 182 CB LEU A 21 28.630 6.507 66.077 1.00 34.55 C +ANISOU 182 CB LEU A 21 3415 5361 4354 899 298 399 C +ATOM 183 CG LEU A 21 28.773 7.794 65.235 1.00 38.37 C +ANISOU 183 CG LEU A 21 3853 5881 4846 787 337 338 C +ATOM 184 CD1 LEU A 21 29.973 8.667 65.649 1.00 36.72 C +ANISOU 184 CD1 LEU A 21 3488 5886 4579 699 325 316 C +ATOM 185 CD2 LEU A 21 28.829 7.489 63.732 1.00 36.30 C +ANISOU 185 CD2 LEU A 21 3656 5510 4627 820 399 316 C +ATOM 186 N MET A 22 26.446 7.553 68.106 1.00 17.62 N +ANISOU 186 N MET A 22 1345 3146 2205 780 211 391 N +ATOM 187 CA MET A 22 25.452 8.572 68.459 1.00 18.91 C +ANISOU 187 CA MET A 22 1529 3278 2378 680 189 350 C +ATOM 188 C MET A 22 25.765 9.271 69.778 1.00 23.18 C +ANISOU 188 C MET A 22 1970 3977 2859 595 128 350 C +ATOM 189 O MET A 22 25.567 10.478 69.921 1.00 19.46 O +ANISOU 189 O MET A 22 1464 3558 2372 460 107 297 O +ATOM 190 CB MET A 22 24.052 7.971 68.555 1.00 13.75 C +ANISOU 190 CB MET A 22 1028 2428 1770 724 183 356 C +ATOM 191 CG MET A 22 22.985 9.045 68.829 1.00 13.18 C +ANISOU 191 CG MET A 22 987 2312 1711 622 158 302 C +ATOM 192 SD MET A 22 22.880 10.307 67.541 1.00 19.32 S +ANISOU 192 SD MET A 22 1832 3005 2506 470 188 199 S +ATOM 193 CE MET A 22 21.756 9.531 66.356 1.00 13.14 C +ANISOU 193 CE MET A 22 1243 1944 1805 561 239 182 C +ATOM 194 N AARG A 23 26.246 8.499 70.748 0.50 26.73 N +ANISOU 194 N AARG A 23 2391 4492 3273 663 98 403 N +ATOM 195 N BARG A 23 26.254 8.497 70.739 0.50 26.77 N +ANISOU 195 N BARG A 23 2397 4498 3278 663 98 403 N +ATOM 196 CA AARG A 23 26.576 9.042 72.062 0.50 30.11 C +ANISOU 196 CA AARG A 23 2744 5053 3643 594 42 405 C +ATOM 197 CA BARG A 23 26.571 9.026 72.059 0.50 30.18 C +ANISOU 197 CA BARG A 23 2754 5060 3653 595 43 406 C +ATOM 198 C AARG A 23 27.630 10.133 71.946 0.50 29.57 C +ANISOU 198 C AARG A 23 2568 5132 3534 484 39 363 C +ATOM 199 C BARG A 23 27.651 10.102 71.973 0.50 29.63 C +ANISOU 199 C BARG A 23 2575 5142 3542 488 38 365 C +ATOM 200 O AARG A 23 27.585 11.130 72.657 0.50 28.40 O +ANISOU 200 O AARG A 23 2394 5045 3352 365 -1 330 O +ATOM 201 O BARG A 23 27.639 11.063 72.733 0.50 28.65 O +ANISOU 201 O BARG A 23 2422 5082 3380 372 -2 334 O +ATOM 202 CB AARG A 23 27.062 7.934 72.999 0.50 34.24 C +ANISOU 202 CB AARG A 23 3256 5620 4134 700 23 468 C +ATOM 203 CB BARG A 23 27.008 7.891 72.987 0.50 34.10 C +ANISOU 203 CB BARG A 23 3244 5595 4119 704 24 469 C +ATOM 204 CG AARG A 23 27.132 8.354 74.460 0.50 37.79 C +ANISOU 204 CG AARG A 23 3660 6167 4532 642 -31 474 C +ATOM 205 CG BARG A 23 26.939 8.239 74.462 0.50 37.94 C +ANISOU 205 CG BARG A 23 3696 6161 4557 651 -31 477 C +ATOM 206 CD AARG A 23 27.707 7.250 75.325 0.50 42.00 C +ANISOU 206 CD AARG A 23 4177 6750 5032 750 -45 532 C +ATOM 207 CD BARG A 23 27.220 7.024 75.322 0.50 42.36 C +ANISOU 207 CD BARG A 23 4267 6735 5091 764 -43 538 C +ATOM 208 NE AARG A 23 27.019 5.980 75.113 0.50 42.53 N +ANISOU 208 NE AARG A 23 4352 6675 5132 859 -25 571 N +ATOM 209 NE BARG A 23 27.955 7.384 76.528 0.50 44.25 N +ANISOU 209 NE BARG A 23 4421 7119 5272 729 -83 545 N +ATOM 210 CZ AARG A 23 25.918 5.606 75.757 0.50 42.47 C +ANISOU 210 CZ AARG A 23 4434 6567 5136 863 -41 585 C +ATOM 211 CZ BARG A 23 29.269 7.576 76.563 0.50 47.04 C +ANISOU 211 CZ BARG A 23 4672 7614 5589 733 -83 541 C +ATOM 212 NH1AARG A 23 25.370 6.409 76.660 0.50 40.81 N +ANISOU 212 NH1AARG A 23 4212 6388 4907 772 -81 566 N +ATOM 213 NH1BARG A 23 29.992 7.440 75.458 0.50 46.14 N +ANISOU 213 NH1BARG A 23 4521 7521 5489 768 -46 531 N +ATOM 214 NH2AARG A 23 25.364 4.428 75.497 0.50 41.81 N +ANISOU 214 NH2AARG A 23 4458 6349 5080 948 -19 612 N +ATOM 215 NH2BARG A 23 29.858 7.899 77.704 0.50 50.62 N +ANISOU 215 NH2BARG A 23 5060 8183 5992 701 -119 545 N +ATOM 216 N LYS A 24 28.563 9.948 71.018 1.00 33.03 N +ANISOU 216 N LYS A 24 2960 5614 3977 520 82 361 N +ATOM 217 CA LYS A 24 29.650 10.906 70.821 1.00 36.65 C +ANISOU 217 CA LYS A 24 3323 6208 4395 418 86 319 C +ATOM 218 C LYS A 24 29.225 12.164 70.070 1.00 30.95 C +ANISOU 218 C LYS A 24 2628 5446 3685 269 101 249 C +ATOM 219 O LYS A 24 29.904 13.182 70.145 1.00 33.71 O +ANISOU 219 O LYS A 24 2928 5888 3992 150 90 207 O +ATOM 220 CB LYS A 24 30.807 10.238 70.080 1.00 45.30 C +ANISOU 220 CB LYS A 24 4357 7366 5490 506 128 336 C +ATOM 221 CG LYS A 24 31.577 9.244 70.928 1.00 50.58 C +ANISOU 221 CG LYS A 24 4975 8119 6124 622 104 389 C +ATOM 222 CD LYS A 24 32.182 9.930 72.136 1.00 54.16 C +ANISOU 222 CD LYS A 24 5350 8712 6516 546 56 380 C +ATOM 223 CE LYS A 24 33.003 8.964 72.956 1.00 57.75 C +ANISOU 223 CE LYS A 24 5751 9257 6936 661 35 428 C +ATOM 224 NZ LYS A 24 33.682 9.659 74.078 1.00 60.26 N +ANISOU 224 NZ LYS A 24 5990 9710 7194 591 -6 415 N +ATOM 225 N VAL A 25 28.108 12.096 69.352 1.00 27.90 N +ANISOU 225 N VAL A 25 2332 4915 3353 275 126 232 N +ATOM 226 CA VAL A 25 27.638 13.226 68.553 1.00 26.26 C +ANISOU 226 CA VAL A 25 2166 4655 3154 133 144 158 C +ATOM 227 C VAL A 25 26.725 14.189 69.313 1.00 24.51 C +ANISOU 227 C VAL A 25 1999 4397 2916 1 83 113 C +ATOM 228 O VAL A 25 26.795 15.401 69.130 1.00 22.88 O +ANISOU 228 O VAL A 25 1818 4195 2681 -153 67 47 O +ATOM 229 CB VAL A 25 26.868 12.742 67.306 1.00 29.11 C +ANISOU 229 CB VAL A 25 2613 4867 3581 200 210 150 C +ATOM 230 CG1 VAL A 25 26.443 13.921 66.467 1.00 30.44 C +ANISOU 230 CG1 VAL A 25 2889 4926 3752 36 220 60 C +ATOM 231 CG2 VAL A 25 27.714 11.794 66.500 1.00 30.97 C +ANISOU 231 CG2 VAL A 25 2823 5110 3836 329 267 190 C +ATOM 232 N ILE A 26 25.861 13.648 70.164 1.00 23.81 N +ANISOU 232 N ILE A 26 2505 3474 3068 -406 -522 -655 N +ATOM 233 CA ILE A 26 24.834 14.469 70.801 1.00 21.20 C +ANISOU 233 CA ILE A 26 2222 3124 2711 -437 -488 -653 C +ATOM 234 C ILE A 26 25.320 15.147 72.075 1.00 24.75 C +ANISOU 234 C ILE A 26 2814 3511 3079 -562 -520 -641 C +ATOM 235 O ILE A 26 26.400 14.846 72.582 1.00 29.54 O +ANISOU 235 O ILE A 26 3467 4093 3664 -614 -578 -631 O +ATOM 236 CB ILE A 26 23.571 13.647 71.160 1.00 23.36 C +ANISOU 236 CB ILE A 26 2439 3389 3049 -382 -483 -642 C +ATOM 237 CG1 ILE A 26 23.927 12.494 72.100 1.00 27.64 C +ANISOU 237 CG1 ILE A 26 2993 3903 3604 -429 -554 -600 C +ATOM 238 CG2 ILE A 26 22.847 13.150 69.916 1.00 20.71 C +ANISOU 238 CG2 ILE A 26 1999 3078 2791 -239 -442 -683 C +ATOM 239 CD1 ILE A 26 22.784 12.125 73.026 1.00 33.15 C +ANISOU 239 CD1 ILE A 26 3691 4575 4328 -439 -556 -575 C +ATOM 240 N SER A 27 24.504 16.068 72.578 1.00 22.28 N +ANISOU 240 N SER A 27 2579 3165 2723 -593 -468 -660 N +ATOM 241 CA SER A 27 24.761 16.770 73.826 1.00 22.57 C +ANISOU 241 CA SER A 27 2772 3135 2666 -689 -449 -683 C +ATOM 242 C SER A 27 23.586 16.509 74.765 1.00 24.45 C +ANISOU 242 C SER A 27 3049 3325 2917 -695 -432 -683 C +ATOM 243 O SER A 27 22.509 16.120 74.303 1.00 23.83 O +ANISOU 243 O SER A 27 2877 3264 2911 -631 -428 -666 O +ATOM 244 CB SER A 27 24.950 18.271 73.563 1.00 24.49 C +ANISOU 244 CB SER A 27 3123 3370 2811 -735 -354 -716 C +ATOM 245 OG SER A 27 26.057 18.480 72.693 1.00 28.43 O +ANISOU 245 OG SER A 27 3578 3915 3308 -730 -375 -714 O +ATOM 246 N PRO A 28 23.777 16.707 76.082 1.00 25.73 N +ANISOU 246 N PRO A 28 3342 3435 3000 -779 -400 -695 N +ATOM 247 CA PRO A 28 22.683 16.470 77.021 1.00 25.53 C +ANISOU 247 CA PRO A 28 3369 3351 2979 -788 -368 -699 C +ATOM 248 C PRO A 28 21.400 17.227 76.670 1.00 25.02 C +ANISOU 248 C PRO A 28 3354 3246 2907 -749 -274 -725 C +ATOM 249 O PRO A 28 20.320 16.760 77.023 1.00 24.05 O +ANISOU 249 O PRO A 28 3208 3114 2817 -765 -236 -743 O +ATOM 250 CB PRO A 28 23.259 16.971 78.352 1.00 27.91 C +ANISOU 250 CB PRO A 28 3862 3602 3141 -911 -293 -693 C +ATOM 251 CG PRO A 28 24.701 16.772 78.204 1.00 28.08 C +ANISOU 251 CG PRO A 28 3852 3675 3143 -949 -353 -676 C +ATOM 252 CD PRO A 28 25.021 17.068 76.780 1.00 28.38 C +ANISOU 252 CD PRO A 28 3786 3766 3232 -880 -380 -690 C +ATOM 253 N ASP A 29 21.518 18.351 75.963 1.00 27.41 N +ANISOU 253 N ASP A 29 3722 3552 3142 -746 -191 -749 N +ATOM 254 CA ASP A 29 20.351 19.160 75.595 1.00 26.59 C +ANISOU 254 CA ASP A 29 3698 3445 2958 -793 14 -824 C +ATOM 255 C ASP A 29 19.883 19.001 74.140 1.00 25.12 C +ANISOU 255 C ASP A 29 3290 3369 2886 -693 -19 -860 C +ATOM 256 O ASP A 29 19.016 19.744 73.693 1.00 23.82 O +ANISOU 256 O ASP A 29 3171 3201 2677 -676 169 -945 O +ATOM 257 CB ASP A 29 20.636 20.637 75.860 1.00 30.18 C +ANISOU 257 CB ASP A 29 4411 3811 3246 -858 193 -815 C +ATOM 258 CG ASP A 29 21.867 21.136 75.121 1.00 34.27 C +ANISOU 258 CG ASP A 29 4862 4379 3780 -822 88 -789 C +ATOM 259 OD1 ASP A 29 22.645 20.297 74.637 1.00 33.53 O +ANISOU 259 OD1 ASP A 29 4587 4358 3794 -772 -86 -769 O +ATOM 260 OD2 ASP A 29 22.068 22.366 75.031 1.00 43.80 O +ANISOU 260 OD2 ASP A 29 6222 5534 4886 -861 215 -780 O +ATOM 261 N THR A 30 20.455 18.057 73.397 1.00 25.17 N +ANISOU 261 N THR A 30 3104 3429 3030 -591 -212 -763 N +ATOM 262 CA THR A 30 19.926 17.722 72.070 1.00 18.29 C +ANISOU 262 CA THR A 30 2015 2662 2274 -475 -219 -753 C +ATOM 263 C THR A 30 18.479 17.252 72.148 1.00 19.75 C +ANISOU 263 C THR A 30 2021 2917 2567 -418 -157 -836 C +ATOM 264 O THR A 30 18.171 16.339 72.914 1.00 20.19 O +ANISOU 264 O THR A 30 2053 2941 2676 -425 -210 -783 O +ATOM 265 CB THR A 30 20.726 16.610 71.398 1.00 16.65 C +ANISOU 265 CB THR A 30 1677 2509 2138 -400 -303 -696 C +ATOM 266 OG1 THR A 30 22.064 17.050 71.164 1.00 16.39 O +ANISOU 266 OG1 THR A 30 1709 2480 2040 -452 -321 -704 O +ATOM 267 CG2 THR A 30 20.076 16.218 70.053 1.00 14.79 C +ANISOU 267 CG2 THR A 30 1287 2336 1996 -243 -272 -716 C +ATOM 268 N ARG A 31 17.593 17.855 71.366 1.00 16.23 N +ANISOU 268 N ARG A 31 1430 2553 2184 -347 -54 -954 N +ATOM 269 CA ARG A 31 16.203 17.421 71.347 1.00 17.03 C +ANISOU 269 CA ARG A 31 1352 2668 2451 -192 30 -894 C +ATOM 270 C ARG A 31 15.814 16.879 69.984 1.00 16.82 C +ANISOU 270 C ARG A 31 1265 2638 2489 -23 -60 -748 C +ATOM 271 O ARG A 31 16.109 17.485 68.964 1.00 18.12 O +ANISOU 271 O ARG A 31 1459 2819 2607 8 -55 -756 O +ATOM 272 CB ARG A 31 15.259 18.557 71.704 1.00 24.71 C +ANISOU 272 CB ARG A 31 2571 3491 3326 -85 354 -790 C +ATOM 273 CG ARG A 31 15.600 19.293 72.971 1.00 37.45 C +ANISOU 273 CG ARG A 31 4570 4935 4726 -223 504 -781 C +ATOM 274 CD ARG A 31 14.468 20.242 73.320 1.00 48.32 C +ANISOU 274 CD ARG A 31 6150 6167 6041 -88 826 -661 C +ATOM 275 NE ARG A 31 13.231 19.508 73.578 1.00 55.62 N +ANISOU 275 NE ARG A 31 6920 7082 7132 59 881 -551 N +ATOM 276 CZ ARG A 31 12.860 19.084 74.781 1.00 59.70 C +ANISOU 276 CZ ARG A 31 7553 7496 7635 21 933 -492 C +ATOM 277 NH1 ARG A 31 13.627 19.327 75.837 1.00 61.29 N +ANISOU 277 NH1 ARG A 31 8029 7596 7662 -161 936 -534 N +ATOM 278 NH2 ARG A 31 11.724 18.416 74.932 1.00 62.14 N +ANISOU 278 NH2 ARG A 31 7703 7802 8105 163 980 -391 N +ATOM 279 N MET A 32 15.114 15.757 69.978 1.00 13.30 N +ANISOU 279 N MET A 32 818 2134 2102 34 -112 -576 N +ATOM 280 CA MET A 32 14.694 15.122 68.734 1.00 16.35 C +ANISOU 280 CA MET A 32 1195 2507 2509 107 -158 -547 C +ATOM 281 C MET A 32 13.215 14.791 68.796 1.00 20.01 C +ANISOU 281 C MET A 32 1586 2959 3056 191 -98 -423 C +ATOM 282 O MET A 32 12.702 14.379 69.847 1.00 24.07 O +ANISOU 282 O MET A 32 2072 3461 3612 197 -64 -359 O +ATOM 283 CB MET A 32 15.509 13.856 68.464 1.00 12.21 C +ANISOU 283 CB MET A 32 705 1962 1973 87 -256 -617 C +ATOM 284 CG MET A 32 15.054 13.085 67.233 1.00 13.57 C +ANISOU 284 CG MET A 32 854 2119 2181 144 -287 -628 C +ATOM 285 SD MET A 32 16.165 11.722 66.877 1.00 22.77 S +ANISOU 285 SD MET A 32 2050 3254 3347 140 -353 -704 S +ATOM 286 CE MET A 32 15.484 10.499 68.010 1.00 16.87 C +ANISOU 286 CE MET A 32 1268 2473 2669 125 -383 -640 C +ATOM 287 N GLU A 33 12.531 15.031 67.686 1.00 15.13 N +ANISOU 287 N GLU A 33 943 2351 2456 260 -70 -382 N +ATOM 288 CA GLU A 33 11.136 14.692 67.520 1.00 20.71 C +ANISOU 288 CA GLU A 33 1587 3057 3225 347 -10 -258 C +ATOM 289 C GLU A 33 11.019 13.732 66.357 1.00 22.71 C +ANISOU 289 C GLU A 33 1823 3312 3493 336 -110 -304 C +ATOM 290 O GLU A 33 11.564 13.984 65.281 1.00 23.99 O +ANISOU 290 O GLU A 33 2013 3484 3617 322 -151 -379 O +ATOM 291 CB GLU A 33 10.290 15.951 67.271 1.00 31.40 C +ANISOU 291 CB GLU A 33 2939 4420 4573 465 163 -142 C +ATOM 292 CG GLU A 33 8.784 15.710 67.109 1.00 43.98 C +ANISOU 292 CG GLU A 33 4503 6047 6159 576 230 -31 C +ATOM 293 CD GLU A 33 8.347 15.391 65.671 1.00 54.38 C +ANISOU 293 CD GLU A 33 5770 7374 7517 583 174 -15 C +ATOM 294 OE1 GLU A 33 8.949 15.922 64.716 1.00 58.29 O +ANISOU 294 OE1 GLU A 33 6268 7856 8023 558 149 -62 O +ATOM 295 OE2 GLU A 33 7.391 14.604 65.498 1.00 58.48 O +ANISOU 295 OE2 GLU A 33 6252 7933 8035 619 150 14 O +ATOM 296 N ASP A 34 10.309 12.633 66.571 1.00 21.93 N +ANISOU 296 N ASP A 34 1683 3205 3443 347 -136 -264 N +ATOM 297 CA ASP A 34 10.007 11.689 65.501 1.00 20.10 C +ANISOU 297 CA ASP A 34 1430 2969 3236 351 -200 -294 C +ATOM 298 C ASP A 34 8.511 11.383 65.495 1.00 23.83 C +ANISOU 298 C ASP A 34 1828 3470 3758 424 -143 -171 C +ATOM 299 O ASP A 34 8.025 10.649 66.357 1.00 21.24 O +ANISOU 299 O ASP A 34 1476 3136 3458 428 -142 -139 O +ATOM 300 CB ASP A 34 10.817 10.411 65.664 1.00 21.69 C +ANISOU 300 CB ASP A 34 1670 3129 3443 293 -294 -396 C +ATOM 301 CG ASP A 34 10.425 9.331 64.665 1.00 25.90 C +ANISOU 301 CG ASP A 34 2178 3649 4014 308 -341 -420 C +ATOM 302 OD1 ASP A 34 9.767 9.634 63.657 1.00 31.43 O +ANISOU 302 OD1 ASP A 34 2843 4377 4721 346 -321 -386 O +ATOM 303 OD2 ASP A 34 10.790 8.167 64.884 1.00 25.92 O +ANISOU 303 OD2 ASP A 34 2195 3611 4041 284 -394 -470 O +ATOM 304 N ASN A 35 7.796 11.950 64.523 1.00 27.15 N +ANISOU 304 N ASN A 35 2214 3925 4176 488 -92 -111 N +ATOM 305 CA ASN A 35 6.346 11.777 64.428 1.00 31.81 C +ANISOU 305 CA ASN A 35 2741 4573 4774 582 -29 -11 C +ATOM 306 C ASN A 35 5.617 11.906 65.766 1.00 37.94 C +ANISOU 306 C ASN A 35 3526 5374 5516 639 36 2 C +ATOM 307 O ASN A 35 4.861 11.020 66.147 1.00 40.94 O +ANISOU 307 O ASN A 35 3863 5750 5941 654 15 -3 O +ATOM 308 CB ASN A 35 6.018 10.418 63.824 1.00 34.01 C +ANISOU 308 CB ASN A 35 2985 4833 5104 551 -113 -46 C +ATOM 309 CG ASN A 35 6.036 10.434 62.315 1.00 33.21 C +ANISOU 309 CG ASN A 35 2873 4736 5011 552 -145 -71 C +ATOM 310 OD1 ASN A 35 6.506 11.389 61.684 1.00 34.20 O +ANISOU 310 OD1 ASN A 35 3024 4863 5108 554 -126 -84 O +ATOM 311 ND2 ASN A 35 5.514 9.376 61.721 1.00 34.99 N +ANISOU 311 ND2 ASN A 35 3061 4958 5275 551 -193 -86 N +ATOM 312 N GLY A 36 5.869 12.982 66.497 1.00 37.99 N +ANISOU 312 N GLY A 36 3590 5379 5466 664 106 -20 N +ATOM 313 CA GLY A 36 5.194 13.191 67.767 1.00 39.42 C +ANISOU 313 CA GLY A 36 3774 5511 5693 703 167 -69 C +ATOM 314 C GLY A 36 5.970 12.779 69.006 1.00 39.22 C +ANISOU 314 C GLY A 36 3769 5472 5662 650 157 -54 C +ATOM 315 O GLY A 36 5.876 13.441 70.042 1.00 39.10 O +ANISOU 315 O GLY A 36 3799 5396 5661 668 247 -77 O +ATOM 316 N ARG A 37 6.728 11.686 68.914 1.00 34.03 N +ANISOU 316 N ARG A 37 4305 4686 3939 -506 639 -845 N +ATOM 317 CA ARG A 37 7.530 11.223 70.040 1.00 32.70 C +ANISOU 317 CA ARG A 37 4188 4571 3664 -603 650 -786 C +ATOM 318 C ARG A 37 8.693 12.188 70.248 1.00 30.78 C +ANISOU 318 C ARG A 37 3893 4325 3476 -539 635 -741 C +ATOM 319 O ARG A 37 9.374 12.559 69.286 1.00 27.00 O +ANISOU 319 O ARG A 37 3415 3771 3073 -402 614 -678 O +ATOM 320 CB ARG A 37 8.061 9.807 69.806 1.00 43.09 C +ANISOU 320 CB ARG A 37 5640 5828 4902 -591 619 -644 C +ATOM 321 CG ARG A 37 7.086 8.845 69.148 1.00 58.66 C +ANISOU 321 CG ARG A 37 7672 7769 6848 -601 628 -663 C +ATOM 322 CD ARG A 37 7.817 7.817 68.267 1.00 70.06 C +ANISOU 322 CD ARG A 37 9220 9114 8285 -498 586 -519 C +ATOM 323 NE ARG A 37 8.657 6.900 69.040 1.00 79.82 N +ANISOU 323 NE ARG A 37 10555 10343 9430 -554 548 -405 N +ATOM 324 CZ ARG A 37 9.527 6.040 68.510 1.00 80.99 C +ANISOU 324 CZ ARG A 37 10787 10411 9573 -471 497 -280 C +ATOM 325 NH1 ARG A 37 9.694 5.968 67.195 1.00 79.05 N +ANISOU 325 NH1 ARG A 37 10537 10093 9404 -333 487 -251 N +ATOM 326 NH2 ARG A 37 10.239 5.249 69.302 1.00 82.77 N +ANISOU 326 NH2 ARG A 37 11101 10628 9718 -526 450 -190 N +ATOM 327 N GLU A 38 8.927 12.600 71.490 1.00 30.67 N +ANISOU 327 N GLU A 38 3834 4397 3421 -642 650 -777 N +ATOM 328 CA GLU A 38 10.037 13.505 71.773 1.00 31.44 C +ANISOU 328 CA GLU A 38 3878 4500 3568 -589 641 -742 C +ATOM 329 C GLU A 38 11.140 12.773 72.507 1.00 27.65 C +ANISOU 329 C GLU A 38 3478 4028 2999 -622 613 -622 C +ATOM 330 O GLU A 38 10.860 11.923 73.362 1.00 28.78 O +ANISOU 330 O GLU A 38 3686 4218 3031 -746 611 -609 O +ATOM 331 CB GLU A 38 9.561 14.700 72.586 1.00 40.14 C +ANISOU 331 CB GLU A 38 4849 5685 4717 -661 665 -877 C +ATOM 332 CG GLU A 38 8.422 15.451 71.937 1.00 50.85 C +ANISOU 332 CG GLU A 38 6124 7007 6190 -622 643 -977 C +ATOM 333 CD GLU A 38 7.724 16.391 72.902 1.00 61.25 C +ANISOU 333 CD GLU A 38 7317 8393 7560 -718 629 -1093 C +ATOM 334 OE1 GLU A 38 7.429 15.975 74.042 1.00 59.14 O +ANISOU 334 OE1 GLU A 38 7044 8208 7220 -861 641 -1121 O +ATOM 335 OE2 GLU A 38 7.478 17.553 72.523 1.00 73.42 O +ANISOU 335 OE2 GLU A 38 8772 9907 9217 -657 601 -1155 O +ATOM 336 N PHE A 39 12.386 13.091 72.157 1.00 21.16 N +ANISOU 336 N PHE A 39 2658 3159 2224 -513 588 -537 N +ATOM 337 CA PHE A 39 13.571 12.523 72.816 1.00 19.34 C +ANISOU 337 CA PHE A 39 2491 2932 1928 -521 551 -433 C +ATOM 338 C PHE A 39 14.571 13.629 73.143 1.00 21.28 C +ANISOU 338 C PHE A 39 2650 3203 2232 -475 558 -442 C +ATOM 339 O PHE A 39 14.807 14.512 72.329 1.00 23.35 O +ANISOU 339 O PHE A 39 2851 3426 2596 -377 574 -463 O +ATOM 340 CB PHE A 39 14.270 11.474 71.932 1.00 17.78 C +ANISOU 340 CB PHE A 39 2398 2636 1722 -419 501 -311 C +ATOM 341 CG PHE A 39 13.339 10.467 71.322 1.00 19.31 C +ANISOU 341 CG PHE A 39 2669 2787 1883 -433 496 -301 C +ATOM 342 CD1 PHE A 39 12.589 10.784 70.203 1.00 17.06 C +ANISOU 342 CD1 PHE A 39 2349 2461 1670 -366 522 -350 C +ATOM 343 CD2 PHE A 39 13.209 9.209 71.869 1.00 22.51 C +ANISOU 343 CD2 PHE A 39 3183 3188 2182 -515 462 -243 C +ATOM 344 CE1 PHE A 39 11.737 9.861 69.650 1.00 21.08 C +ANISOU 344 CE1 PHE A 39 2923 2935 2151 -378 521 -347 C +ATOM 345 CE2 PHE A 39 12.346 8.281 71.315 1.00 26.81 C +ANISOU 345 CE2 PHE A 39 3796 3693 2696 -532 462 -237 C +ATOM 346 CZ PHE A 39 11.618 8.610 70.201 1.00 25.15 C +ANISOU 346 CZ PHE A 39 3542 3451 2563 -461 495 -293 C +ATOM 347 N ATHR A 40 15.152 13.567 74.340 0.45 22.25 N +ANISOU 347 N ATHR A 40 2774 3392 2288 -552 546 -427 N +ATOM 348 N BTHR A 40 15.141 13.583 74.344 0.55 22.32 N +ANISOU 348 N BTHR A 40 2781 3401 2297 -553 547 -428 N +ATOM 349 CA ATHR A 40 16.186 14.512 74.768 0.45 21.08 C +ANISOU 349 CA ATHR A 40 2548 3275 2185 -515 552 -434 C +ATOM 350 CA BTHR A 40 16.207 14.503 74.728 0.55 20.96 C +ANISOU 350 CA BTHR A 40 2535 3257 2173 -510 551 -431 C +ATOM 351 C ATHR A 40 17.412 13.767 75.307 0.45 20.61 C +ANISOU 351 C ATHR A 40 2564 3207 2060 -500 495 -333 C +ATOM 352 C BTHR A 40 17.418 13.737 75.257 0.55 20.75 C +ANISOU 352 C BTHR A 40 2585 3221 2078 -496 494 -330 C +ATOM 353 O ATHR A 40 17.271 12.751 75.992 0.45 20.37 O +ANISOU 353 O ATHR A 40 2626 3192 1922 -585 457 -286 O +ATOM 354 O BTHR A 40 17.275 12.687 75.890 0.55 20.75 O +ANISOU 354 O BTHR A 40 2680 3231 1972 -576 454 -280 O +ATOM 355 CB ATHR A 40 15.658 15.474 75.860 0.45 20.95 C +ANISOU 355 CB ATHR A 40 2422 3370 2167 -629 597 -550 C +ATOM 356 CB BTHR A 40 15.747 15.493 75.808 0.55 21.14 C +ANISOU 356 CB BTHR A 40 2447 3390 2197 -618 596 -545 C +ATOM 357 OG1ATHR A 40 14.502 16.169 75.371 0.45 23.67 O +ANISOU 357 OG1ATHR A 40 2691 3719 2584 -637 637 -660 O +ATOM 358 OG1BTHR A 40 15.394 14.768 76.987 0.55 17.78 O +ANISOU 358 OG1BTHR A 40 2071 3038 1645 -765 585 -545 O +ATOM 359 CG2ATHR A 40 16.729 16.486 76.255 0.45 18.64 C +ANISOU 359 CG2ATHR A 40 2044 3109 1931 -584 607 -561 C +ATOM 360 CG2BTHR A 40 14.542 16.269 75.330 0.55 23.47 C +ANISOU 360 CG2BTHR A 40 2658 3692 2568 -629 639 -662 C +ATOM 361 N GLY A 41 18.607 14.262 74.992 1.00 19.47 N +ANISOU 361 N GLY A 41 2384 3036 1978 -395 486 -304 N +ATOM 362 CA GLY A 41 19.828 13.667 75.507 1.00 22.46 C +ANISOU 362 CA GLY A 41 2816 3408 2308 -369 427 -229 C +ATOM 363 C GLY A 41 19.981 12.179 75.234 1.00 20.22 C +ANISOU 363 C GLY A 41 2670 3054 1959 -349 352 -132 C +ATOM 364 O GLY A 41 19.846 11.725 74.084 1.00 20.21 O +ANISOU 364 O GLY A 41 2708 2974 1999 -268 345 -100 O +ATOM 365 N ASP A 42 20.249 11.415 76.286 1.00 19.66 N +ANISOU 365 N ASP A 42 2675 3010 1786 -425 293 -87 N +ATOM 366 CA ASP A 42 20.521 9.981 76.157 1.00 25.86 C +ANISOU 366 CA ASP A 42 3598 3720 2508 -406 204 9 C +ATOM 367 C ASP A 42 19.346 9.184 75.593 1.00 20.74 C +ANISOU 367 C ASP A 42 3024 3027 1828 -449 212 24 C +ATOM 368 O ASP A 42 19.535 8.068 75.133 1.00 22.23 O +ANISOU 368 O ASP A 42 3315 3136 1996 -405 146 97 O +ATOM 369 CB ASP A 42 20.935 9.387 77.510 1.00 35.16 C +ANISOU 369 CB ASP A 42 4852 4934 3571 -498 131 53 C +ATOM 370 CG ASP A 42 22.410 9.614 77.822 1.00 46.05 C +ANISOU 370 CG ASP A 42 6204 6313 4981 -409 76 71 C +ATOM 371 OD1 ASP A 42 23.233 9.650 76.877 1.00 50.63 O +ANISOU 371 OD1 ASP A 42 6757 6831 5650 -268 62 80 O +ATOM 372 OD2 ASP A 42 22.750 9.754 79.015 1.00 50.51 O +ANISOU 372 OD2 ASP A 42 6771 6943 5477 -484 49 69 O +ATOM 373 N GLU A 43 18.136 9.735 75.635 1.00 21.18 N +ANISOU 373 N GLU A 43 3027 3137 1885 -533 289 -54 N +ATOM 374 CA GLU A 43 17.012 9.105 74.937 1.00 21.68 C +ANISOU 374 CA GLU A 43 3142 3160 1937 -557 307 -58 C +ATOM 375 C GLU A 43 17.272 8.974 73.437 1.00 18.33 C +ANISOU 375 C GLU A 43 2715 2643 1608 -404 304 -30 C +ATOM 376 O GLU A 43 16.802 8.045 72.793 1.00 15.62 O +ANISOU 376 O GLU A 43 2448 2238 1249 -389 284 7 O +ATOM 377 CB GLU A 43 15.729 9.889 75.164 1.00 20.99 C +ANISOU 377 CB GLU A 43 2970 3149 1854 -656 391 -173 C +ATOM 378 CG GLU A 43 15.345 10.023 76.628 1.00 26.43 C +ANISOU 378 CG GLU A 43 3653 3945 2443 -827 405 -219 C +ATOM 379 CD GLU A 43 14.005 10.696 76.792 1.00 29.35 C +ANISOU 379 CD GLU A 43 3936 4392 2823 -927 485 -352 C +ATOM 380 OE1 GLU A 43 13.812 11.785 76.207 1.00 26.16 O +ANISOU 380 OE1 GLU A 43 3414 3994 2533 -855 531 -431 O +ATOM 381 OE2 GLU A 43 13.136 10.124 77.485 1.00 30.05 O +ANISOU 381 OE2 GLU A 43 4075 4533 2808 -1081 498 -382 O +ATOM 382 N VAL A 44 18.012 9.917 72.876 1.00 19.94 N +ANISOU 382 N VAL A 44 2830 2839 1909 -299 327 -52 N +ATOM 383 CA VAL A 44 18.376 9.832 71.466 1.00 16.05 C +ANISOU 383 CA VAL A 44 2335 2265 1499 -163 325 -25 C +ATOM 384 C VAL A 44 19.264 8.610 71.249 1.00 16.88 C +ANISOU 384 C VAL A 44 2535 2301 1578 -100 241 64 C +ATOM 385 O VAL A 44 19.141 7.904 70.238 1.00 20.04 O +ANISOU 385 O VAL A 44 2981 2631 2002 -34 223 97 O +ATOM 386 CB VAL A 44 19.082 11.103 70.984 1.00 16.20 C +ANISOU 386 CB VAL A 44 2249 2292 1614 -80 367 -65 C +ATOM 387 CG1 VAL A 44 19.510 10.959 69.509 1.00 16.09 C +ANISOU 387 CG1 VAL A 44 2244 2198 1672 46 365 -35 C +ATOM 388 CG2 VAL A 44 18.137 12.295 71.129 1.00 16.91 C +ANISOU 388 CG2 VAL A 44 2247 2436 1742 -134 437 -158 C +ATOM 389 N VAL A 45 20.144 8.337 72.204 1.00 19.82 N +ANISOU 389 N VAL A 45 2936 2691 1903 -120 182 98 N +ATOM 390 CA VAL A 45 20.980 7.138 72.128 1.00 22.19 C +ANISOU 390 CA VAL A 45 3329 2922 2179 -63 82 175 C +ATOM 391 C VAL A 45 20.105 5.892 72.234 1.00 19.69 C +ANISOU 391 C VAL A 45 3133 2563 1783 -134 40 224 C +ATOM 392 O VAL A 45 20.301 4.917 71.505 1.00 18.82 O +ANISOU 392 O VAL A 45 3088 2372 1689 -66 -15 272 O +ATOM 393 CB VAL A 45 22.066 7.118 73.238 1.00 26.97 C +ANISOU 393 CB VAL A 45 3946 3556 2746 -73 14 195 C +ATOM 394 CG1 VAL A 45 22.869 5.812 73.188 1.00 26.00 C +ANISOU 394 CG1 VAL A 45 3926 3351 2601 -12 -109 267 C +ATOM 395 CG2 VAL A 45 22.979 8.333 73.097 1.00 26.83 C +ANISOU 395 CG2 VAL A 45 3806 3580 2809 -1 60 139 C +ATOM 396 N GLU A 46 19.126 5.939 73.133 1.00 21.52 N +ANISOU 396 N GLU A 46 3390 2854 1932 -278 70 204 N +ATOM 397 CA GLU A 46 18.190 4.839 73.298 1.00 19.14 C +ANISOU 397 CA GLU A 46 3202 2523 1546 -370 46 240 C +ATOM 398 C GLU A 46 17.420 4.600 71.996 1.00 20.11 C +ANISOU 398 C GLU A 46 3316 2596 1727 -312 90 222 C +ATOM 399 O GLU A 46 17.186 3.453 71.614 1.00 24.38 O +ANISOU 399 O GLU A 46 3954 3068 2241 -306 42 274 O +ATOM 400 CB GLU A 46 17.232 5.112 74.460 1.00 26.06 C +ANISOU 400 CB GLU A 46 4086 3491 2324 -549 91 196 C +ATOM 401 CG GLU A 46 17.890 4.953 75.844 1.00 34.18 C +ANISOU 401 CG GLU A 46 5169 4558 3259 -632 26 235 C +ATOM 402 CD GLU A 46 16.975 5.316 77.012 1.00 41.14 C +ANISOU 402 CD GLU A 46 6045 5547 4040 -822 81 179 C +ATOM 403 OE1 GLU A 46 15.781 5.615 76.787 1.00 44.23 O +ANISOU 403 OE1 GLU A 46 6392 5981 4432 -894 165 102 O +ATOM 404 OE2 GLU A 46 17.464 5.305 78.165 1.00 41.25 O +ANISOU 404 OE2 GLU A 46 6093 5605 3973 -901 37 204 O +ATOM 405 N TYR A 47 17.028 5.681 71.320 1.00 16.64 N +ANISOU 405 N TYR A 47 2766 2190 1368 -270 175 148 N +ATOM 406 CA TYR A 47 16.414 5.594 69.984 1.00 15.06 C +ANISOU 406 CA TYR A 47 2547 1942 1233 -196 213 129 C +ATOM 407 C TYR A 47 17.271 4.767 69.027 1.00 15.15 C +ANISOU 407 C TYR A 47 2604 1864 1290 -69 151 196 C +ATOM 408 O TYR A 47 16.744 3.928 68.260 1.00 18.15 O +ANISOU 408 O TYR A 47 3035 2189 1672 -45 141 216 O +ATOM 409 CB TYR A 47 16.177 7.008 69.414 1.00 14.35 C +ANISOU 409 CB TYR A 47 2332 1889 1230 -150 292 49 C +ATOM 410 CG TYR A 47 15.432 7.098 68.083 1.00 20.78 C +ANISOU 410 CG TYR A 47 3124 2663 2108 -83 332 18 C +ATOM 411 CD1 TYR A 47 14.045 7.137 68.040 1.00 19.27 C +ANISOU 411 CD1 TYR A 47 2926 2497 1899 -154 377 -48 C +ATOM 412 CD2 TYR A 47 16.119 7.185 66.879 1.00 21.38 C +ANISOU 412 CD2 TYR A 47 3182 2682 2261 47 325 45 C +ATOM 413 CE1 TYR A 47 13.366 7.243 66.851 1.00 16.55 C +ANISOU 413 CE1 TYR A 47 2560 2116 1612 -89 407 -80 C +ATOM 414 CE2 TYR A 47 15.444 7.296 65.669 1.00 18.48 C +ANISOU 414 CE2 TYR A 47 2798 2280 1945 105 358 20 C +ATOM 415 CZ TYR A 47 14.071 7.310 65.664 1.00 18.88 C +ANISOU 415 CZ TYR A 47 2846 2351 1977 41 394 -39 C +ATOM 416 OH TYR A 47 13.387 7.407 64.479 1.00 19.92 O +ANISOU 416 OH TYR A 47 2963 2447 2158 102 419 -68 O +ATOM 417 N VAL A 48 18.585 4.982 69.050 1.00 17.76 N +ANISOU 417 N VAL A 48 2908 2182 1659 12 109 220 N +ATOM 418 CA VAL A 48 19.465 4.246 68.135 1.00 18.69 C +ANISOU 418 CA VAL A 48 3050 2223 1828 132 49 262 C +ATOM 419 C VAL A 48 19.569 2.782 68.557 1.00 19.95 C +ANISOU 419 C VAL A 48 3334 2322 1925 107 -51 332 C +ATOM 420 O VAL A 48 19.568 1.880 67.714 1.00 19.18 O +ANISOU 420 O VAL A 48 3279 2155 1854 170 -88 360 O +ATOM 421 CB VAL A 48 20.872 4.874 68.044 1.00 21.27 C +ANISOU 421 CB VAL A 48 3308 2559 2216 222 33 250 C +ATOM 422 CG1 VAL A 48 21.788 4.009 67.179 1.00 14.86 C +ANISOU 422 CG1 VAL A 48 2519 1675 1454 336 -36 278 C +ATOM 423 CG2 VAL A 48 20.775 6.267 67.428 1.00 21.93 C +ANISOU 423 CG2 VAL A 48 3281 2684 2367 253 129 189 C +ATOM 424 N LYS A 49 19.592 2.533 69.856 1.00 18.84 N +ANISOU 424 N LYS A 49 3255 2205 1697 9 -97 360 N +ATOM 425 CA LYS A 49 19.602 1.154 70.325 1.00 23.29 C +ANISOU 425 CA LYS A 49 3956 2703 2191 -31 -201 432 C +ATOM 426 C LYS A 49 18.408 0.378 69.783 1.00 25.88 C +ANISOU 426 C LYS A 49 4347 2995 2493 -78 -174 441 C +ATOM 427 O LYS A 49 18.527 -0.796 69.411 1.00 28.72 O +ANISOU 427 O LYS A 49 4792 3269 2850 -42 -251 493 O +ATOM 428 CB LYS A 49 19.590 1.093 71.844 1.00 23.35 C +ANISOU 428 CB LYS A 49 4030 2752 2089 -160 -242 459 C +ATOM 429 CG LYS A 49 20.795 1.700 72.507 1.00 26.35 C +ANISOU 429 CG LYS A 49 4363 3165 2485 -119 -284 454 C +ATOM 430 CD LYS A 49 20.767 1.415 74.007 1.00 30.29 C +ANISOU 430 CD LYS A 49 4954 3694 2861 -251 -343 494 C +ATOM 431 CE LYS A 49 21.811 2.210 74.747 1.00 32.71 C +ANISOU 431 CE LYS A 49 5194 4055 3178 -225 -364 473 C +ATOM 432 NZ LYS A 49 21.711 1.949 76.197 1.00 32.04 N +ANISOU 432 NZ LYS A 49 5202 4006 2966 -364 -419 511 N +ATOM 433 N GLU A 50 17.261 1.040 69.728 1.00 24.10 N +ANISOU 433 N GLU A 50 4073 2832 2252 -153 -69 383 N +ATOM 434 CA GLU A 50 16.045 0.407 69.247 1.00 27.75 C +ANISOU 434 CA GLU A 50 4582 3273 2688 -204 -32 372 C +ATOM 435 C GLU A 50 16.076 0.161 67.749 1.00 26.16 C +ANISOU 435 C GLU A 50 4344 3014 2582 -73 -19 366 C +ATOM 436 O GLU A 50 15.514 -0.823 67.273 1.00 27.37 O +ANISOU 436 O GLU A 50 4564 3113 2721 -78 -36 388 O +ATOM 437 CB GLU A 50 14.835 1.249 69.624 1.00 34.41 C +ANISOU 437 CB GLU A 50 5369 4206 3498 -318 72 289 C +ATOM 438 CG GLU A 50 14.621 1.251 71.127 1.00 45.07 C +ANISOU 438 CG GLU A 50 6773 5617 4734 -478 61 293 C +ATOM 439 CD GLU A 50 14.773 -0.148 71.709 1.00 52.18 C +ANISOU 439 CD GLU A 50 7834 6451 5541 -545 -37 384 C +ATOM 440 OE1 GLU A 50 13.938 -1.013 71.371 1.00 55.12 O +ANISOU 440 OE1 GLU A 50 8280 6785 5879 -592 -30 393 O +ATOM 441 OE2 GLU A 50 15.732 -0.390 72.481 1.00 54.11 O +ANISOU 441 OE2 GLU A 50 8135 6678 5748 -548 -125 447 O +ATOM 442 N ILE A 51 16.741 1.045 67.012 1.00 28.39 N +ANISOU 442 N ILE A 51 4522 3309 2955 39 11 335 N +ATOM 443 CA ILE A 51 16.922 0.850 65.574 1.00 28.25 C +ANISOU 443 CA ILE A 51 4468 3242 3022 162 21 330 C +ATOM 444 C ILE A 51 17.732 -0.411 65.332 1.00 28.86 C +ANISOU 444 C ILE A 51 4618 3237 3112 228 -84 391 C +ATOM 445 O ILE A 51 17.375 -1.244 64.501 1.00 25.85 O +ANISOU 445 O ILE A 51 4268 2802 2751 267 -96 403 O +ATOM 446 CB ILE A 51 17.615 2.065 64.915 1.00 24.32 C +ANISOU 446 CB ILE A 51 3857 2776 2609 253 69 289 C +ATOM 447 CG1 ILE A 51 16.607 3.200 64.731 1.00 24.75 C +ANISOU 447 CG1 ILE A 51 3841 2887 2675 213 167 222 C +ATOM 448 CG2 ILE A 51 18.214 1.691 63.560 1.00 21.56 C +ANISOU 448 CG2 ILE A 51 3484 2373 2336 378 53 296 C +ATOM 449 CD1 ILE A 51 17.237 4.527 64.319 1.00 28.75 C +ANISOU 449 CD1 ILE A 51 4248 3425 3250 276 212 184 C +ATOM 450 N GLN A 52 18.819 -0.538 66.081 1.00 31.48 N +ANISOU 450 N GLN A 52 4972 3558 3432 242 -164 423 N +ATOM 451 CA GLN A 52 19.706 -1.684 66.003 1.00 36.70 C +ANISOU 451 CA GLN A 52 5698 4137 4110 309 -284 471 C +ATOM 452 C GLN A 52 18.974 -2.968 66.397 1.00 39.37 C +ANISOU 452 C GLN A 52 6169 4413 4376 231 -345 527 C +ATOM 453 O GLN A 52 19.117 -3.994 65.744 1.00 36.90 O +ANISOU 453 O GLN A 52 5899 4023 4098 292 -407 551 O +ATOM 454 CB GLN A 52 20.917 -1.459 66.906 1.00 37.27 C +ANISOU 454 CB GLN A 52 5767 4217 4175 327 -362 484 C +ATOM 455 CG GLN A 52 21.988 -2.519 66.803 1.00 44.32 C +ANISOU 455 CG GLN A 52 6709 5024 5104 416 -499 515 C +ATOM 456 CD GLN A 52 23.185 -2.188 67.667 1.00 50.65 C +ANISOU 456 CD GLN A 52 7496 5842 5906 442 -573 511 C +ATOM 457 OE1 GLN A 52 23.035 -1.716 68.793 1.00 51.48 O +ANISOU 457 OE1 GLN A 52 7628 5996 5938 349 -566 527 O +ATOM 458 NE2 GLN A 52 24.380 -2.415 67.137 1.00 52.55 N +ANISOU 458 NE2 GLN A 52 7688 6048 6231 566 -642 479 N +ATOM 459 N LYS A 53 18.180 -2.888 67.459 1.00 40.01 N +ANISOU 459 N LYS A 53 6314 4532 4356 88 -322 541 N +ATOM 460 CA LYS A 53 17.363 -4.009 67.906 1.00 39.70 C +ANISOU 460 CA LYS A 53 6408 4445 4231 -17 -363 589 C +ATOM 461 C LYS A 53 16.379 -4.492 66.836 1.00 37.79 C +ANISOU 461 C LYS A 53 6163 4177 4018 -1 -303 566 C +ATOM 462 O LYS A 53 16.312 -5.687 66.557 1.00 32.02 O +ANISOU 462 O LYS A 53 5506 3369 3292 11 -369 603 O +ATOM 463 CB LYS A 53 16.593 -3.637 69.176 1.00 43.61 C +ANISOU 463 CB LYS A 53 6950 5010 4608 -190 -321 586 C +ATOM 464 CG LYS A 53 15.338 -4.480 69.404 1.00 52.28 C +ANISOU 464 CG LYS A 53 8155 6091 5617 -324 -300 599 C +ATOM 465 CD LYS A 53 14.547 -4.043 70.641 1.00 57.76 C +ANISOU 465 CD LYS A 53 8873 6875 6200 -508 -243 571 C +ATOM 466 CE LYS A 53 13.077 -4.473 70.535 1.00 59.43 C +ANISOU 466 CE LYS A 53 9108 7106 6365 -625 -165 522 C +ATOM 467 NZ LYS A 53 12.237 -4.141 71.725 1.00 54.17 N +ANISOU 467 NZ LYS A 53 8447 6531 5605 -811 -108 469 N +ATOM 468 N ARG A 54 15.617 -3.575 66.242 1.00 37.71 N +ANISOU 468 N ARG A 54 6053 4235 4039 0 -182 495 N +ATOM 469 CA ARG A 54 14.558 -3.966 65.320 1.00 38.35 C +ANISOU 469 CA ARG A 54 6131 4302 4137 2 -121 464 C +ATOM 470 C ARG A 54 15.096 -4.299 63.928 1.00 37.74 C +ANISOU 470 C ARG A 54 6003 4172 4165 156 -139 462 C +ATOM 471 O ARG A 54 14.345 -4.733 63.062 1.00 40.74 O +ANISOU 471 O ARG A 54 6379 4532 4567 176 -101 441 O +ATOM 472 CB ARG A 54 13.505 -2.866 65.209 1.00 39.81 C +ANISOU 472 CB ARG A 54 6231 4577 4318 -51 3 379 C +ATOM 473 CG ARG A 54 12.744 -2.614 66.491 1.00 47.07 C +ANISOU 473 CG ARG A 54 7191 5560 5133 -220 36 356 C +ATOM 474 CD ARG A 54 11.673 -1.544 66.300 1.00 53.27 C +ANISOU 474 CD ARG A 54 7878 6431 5932 -261 150 251 C +ATOM 475 NE ARG A 54 12.233 -0.196 66.221 1.00 55.46 N +ANISOU 475 NE ARG A 54 8042 6759 6273 -197 182 215 N +ATOM 476 CZ ARG A 54 12.294 0.523 65.105 1.00 55.79 C +ANISOU 476 CZ ARG A 54 7990 6798 6408 -82 223 176 C +ATOM 477 NH1 ARG A 54 12.821 1.742 65.125 1.00 53.38 N +ANISOU 477 NH1 ARG A 54 7595 6534 6152 -38 248 147 N +ATOM 478 NH2 ARG A 54 11.823 0.023 63.969 1.00 56.38 N +ANISOU 478 NH2 ARG A 54 8066 6831 6524 -15 237 167 N +ATOM 479 N GLY A 55 16.392 -4.089 63.726 1.00 32.51 N +ANISOU 479 N GLY A 55 5296 3492 3565 259 -196 476 N +ATOM 480 CA GLY A 55 17.020 -4.306 62.438 1.00 32.08 C +ANISOU 480 CA GLY A 55 5179 3401 3608 397 -209 461 C +ATOM 481 C GLY A 55 16.594 -3.310 61.369 1.00 27.42 C +ANISOU 481 C GLY A 55 4481 2864 3071 447 -99 400 C +ATOM 482 O GLY A 55 16.717 -3.592 60.189 1.00 26.55 O +ANISOU 482 O GLY A 55 4332 2730 3025 535 -91 383 O +ATOM 483 N GLU A 56 16.097 -2.152 61.800 1.00 22.35 N +ANISOU 483 N GLU A 56 3795 2295 2404 387 -22 364 N +ATOM 484 CA GLU A 56 15.647 -1.091 60.918 1.00 23.29 C +ANISOU 484 CA GLU A 56 3822 2459 2569 425 71 307 C +ATOM 485 C GLU A 56 16.837 -0.530 60.144 1.00 23.27 C +ANISOU 485 C GLU A 56 3743 2457 2641 533 67 298 C +ATOM 486 O GLU A 56 17.874 -0.250 60.724 1.00 22.00 O +ANISOU 486 O GLU A 56 3569 2305 2487 547 27 311 O +ATOM 487 CB GLU A 56 14.955 -0.006 61.743 1.00 26.31 C +ANISOU 487 CB GLU A 56 4176 2911 2910 333 135 267 C +ATOM 488 CG GLU A 56 14.223 1.041 60.941 1.00 31.00 C +ANISOU 488 CG GLU A 56 4692 3542 3546 357 219 202 C +ATOM 489 CD GLU A 56 13.408 1.954 61.834 1.00 34.61 C +ANISOU 489 CD GLU A 56 5123 4064 3966 259 270 148 C +ATOM 490 OE1 GLU A 56 13.982 2.918 62.378 1.00 35.39 O +ANISOU 490 OE1 GLU A 56 5173 4200 4074 251 279 138 O +ATOM 491 OE2 GLU A 56 12.203 1.685 62.015 1.00 33.82 O +ANISOU 491 OE2 GLU A 56 5045 3979 3826 185 302 108 O +ATOM 492 N GLN A 57 16.701 -0.407 58.831 1.00 19.63 N +ANISOU 492 N GLN A 57 3236 1989 2234 606 106 273 N +ATOM 493 CA GLN A 57 17.816 0.015 57.986 1.00 24.79 C +ANISOU 493 CA GLN A 57 3823 2644 2951 697 106 259 C +ATOM 494 C GLN A 57 17.671 1.442 57.459 1.00 20.92 C +ANISOU 494 C GLN A 57 3264 2201 2485 706 187 221 C +ATOM 495 O GLN A 57 16.729 1.724 56.722 1.00 23.43 O +ANISOU 495 O GLN A 57 3572 2522 2808 709 238 199 O +ATOM 496 CB GLN A 57 17.959 -0.943 56.798 1.00 35.38 C +ANISOU 496 CB GLN A 57 5135 3972 4337 736 82 246 C +ATOM 497 CG GLN A 57 18.540 -2.286 57.160 1.00 50.90 C +ANISOU 497 CG GLN A 57 7136 5894 6309 739 -13 270 C +ATOM 498 CD GLN A 57 19.874 -2.146 57.851 1.00 67.22 C +ANISOU 498 CD GLN A 57 9193 7956 8391 766 -74 277 C +ATOM 499 OE1 GLN A 57 19.974 -2.315 59.064 1.00 72.43 O +ANISOU 499 OE1 GLN A 57 9930 8587 9003 741 -127 318 O +ATOM 500 NE2 GLN A 57 20.909 -1.824 57.085 1.00 75.22 N +ANISOU 500 NE2 GLN A 57 10116 9000 9463 810 -69 233 N +ATOM 501 N TRP A 58 18.613 2.321 57.804 1.00 15.50 N +ANISOU 501 N TRP A 58 2532 1543 1814 714 193 212 N +ATOM 502 CA TRP A 58 18.627 3.687 57.284 1.00 15.83 C +ANISOU 502 CA TRP A 58 2515 1618 1882 724 261 180 C +ATOM 503 C TRP A 58 19.700 3.886 56.222 1.00 16.14 C +ANISOU 503 C TRP A 58 2494 1672 1965 764 262 161 C +ATOM 504 O TRP A 58 20.833 3.459 56.399 1.00 18.21 O +ANISOU 504 O TRP A 58 2743 1931 2244 794 219 160 O +ATOM 505 CB TRP A 58 18.872 4.704 58.403 1.00 14.34 C +ANISOU 505 CB TRP A 58 2300 1470 1677 671 276 169 C +ATOM 506 CG TRP A 58 17.808 4.739 59.447 1.00 15.38 C +ANISOU 506 CG TRP A 58 2462 1620 1760 586 282 165 C +ATOM 507 CD1 TRP A 58 17.269 3.677 60.091 1.00 18.23 C +ANISOU 507 CD1 TRP A 58 2887 1966 2073 538 242 189 C +ATOM 508 CD2 TRP A 58 17.155 5.901 59.965 1.00 18.63 C +ANISOU 508 CD2 TRP A 58 2838 2073 2166 531 330 126 C +ATOM 509 NE1 TRP A 58 16.315 4.100 60.985 1.00 21.56 N +ANISOU 509 NE1 TRP A 58 3315 2425 2452 448 270 163 N +ATOM 510 CE2 TRP A 58 16.225 5.463 60.921 1.00 21.20 C +ANISOU 510 CE2 TRP A 58 3202 2415 2437 447 322 120 C +ATOM 511 CE3 TRP A 58 17.259 7.269 59.702 1.00 20.42 C +ANISOU 511 CE3 TRP A 58 3005 2321 2431 542 376 92 C +ATOM 512 CZ2 TRP A 58 15.416 6.345 61.632 1.00 26.14 C +ANISOU 512 CZ2 TRP A 58 3795 3088 3049 374 361 68 C +ATOM 513 CZ3 TRP A 58 16.452 8.139 60.400 1.00 21.99 C +ANISOU 513 CZ3 TRP A 58 3176 2555 2622 479 406 47 C +ATOM 514 CH2 TRP A 58 15.540 7.678 61.348 1.00 23.12 C +ANISOU 514 CH2 TRP A 58 3346 2724 2716 397 400 30 C +ATOM 515 N HIS A 59 19.364 4.606 55.165 1.00 17.12 N +ANISOU 515 N HIS A 59 2578 1824 2104 741 301 139 N +ATOM 516 CA HIS A 59 20.338 4.921 54.124 1.00 24.24 C +ANISOU 516 CA HIS A 59 3428 2748 3033 747 307 119 C +ATOM 517 C HIS A 59 20.172 6.366 53.668 1.00 18.52 C +ANISOU 517 C HIS A 59 2681 2042 2312 721 356 108 C +ATOM 518 O HIS A 59 19.101 6.761 53.213 1.00 17.49 O +ANISOU 518 O HIS A 59 2562 1911 2173 696 370 109 O +ATOM 519 CB HIS A 59 20.192 3.966 52.932 1.00 37.40 C +ANISOU 519 CB HIS A 59 5085 4414 4710 748 284 112 C +ATOM 520 CG HIS A 59 20.454 2.527 53.263 1.00 53.38 C +ANISOU 520 CG HIS A 59 7125 6413 6743 772 226 119 C +ATOM 521 ND1 HIS A 59 19.577 1.513 52.931 1.00 61.86 N +ANISOU 521 ND1 HIS A 59 8222 7471 7810 763 206 128 N +ATOM 522 CD2 HIS A 59 21.501 1.924 53.875 1.00 64.53 C +ANISOU 522 CD2 HIS A 59 8535 7810 8175 806 176 115 C +ATOM 523 CE1 HIS A 59 20.068 0.355 53.332 1.00 65.24 C +ANISOU 523 CE1 HIS A 59 8665 7870 8254 785 146 134 C +ATOM 524 NE2 HIS A 59 21.236 0.575 53.909 1.00 65.36 N +ANISOU 524 NE2 HIS A 59 8665 7883 8286 813 121 127 N +ATOM 525 N LEU A 60 21.224 7.164 53.799 1.00 15.09 N +ANISOU 525 N LEU A 60 2218 1623 1893 728 377 93 N +ATOM 526 CA LEU A 60 21.169 8.544 53.342 1.00 16.25 C +ANISOU 526 CA LEU A 60 2353 1777 2044 703 420 86 C +ATOM 527 C LEU A 60 21.132 8.588 51.810 1.00 18.52 C +ANISOU 527 C LEU A 60 2642 2064 2330 697 429 85 C +ATOM 528 O LEU A 60 21.922 7.924 51.140 1.00 19.53 O +ANISOU 528 O LEU A 60 2754 2202 2466 715 422 72 O +ATOM 529 CB LEU A 60 22.360 9.338 53.876 1.00 16.70 C +ANISOU 529 CB LEU A 60 2377 1851 2116 708 447 66 C +ATOM 530 CG LEU A 60 22.562 10.717 53.246 1.00 19.30 C +ANISOU 530 CG LEU A 60 2700 2182 2453 683 493 57 C +ATOM 531 CD1 LEU A 60 21.438 11.661 53.598 1.00 18.20 C +ANISOU 531 CD1 LEU A 60 2576 2025 2313 658 502 66 C +ATOM 532 CD2 LEU A 60 23.901 11.272 53.675 1.00 23.16 C +ANISOU 532 CD2 LEU A 60 3148 2695 2955 686 521 26 C +ATOM 533 N ARG A 61 20.201 9.350 51.263 1.00 15.72 N +ANISOU 533 N ARG A 61 2308 1697 1967 676 442 94 N +ATOM 534 CA ARG A 61 20.076 9.473 49.814 1.00 19.78 C +ANISOU 534 CA ARG A 61 2838 2205 2471 675 453 100 C +ATOM 535 C ARG A 61 20.646 10.787 49.314 1.00 22.73 C +ANISOU 535 C ARG A 61 3225 2567 2845 671 500 101 C +ATOM 536 O ARG A 61 21.540 10.807 48.463 1.00 21.08 O +ANISOU 536 O ARG A 61 3017 2363 2629 680 532 93 O +ATOM 537 CB ARG A 61 18.620 9.334 49.403 1.00 22.06 C +ANISOU 537 CB ARG A 61 3148 2483 2750 663 429 107 C +ATOM 538 CG ARG A 61 18.156 7.896 49.370 1.00 34.01 C +ANISOU 538 CG ARG A 61 4656 4007 4259 667 397 106 C +ATOM 539 CD ARG A 61 16.667 7.792 49.074 1.00 43.55 C +ANISOU 539 CD ARG A 61 5878 5210 5460 652 378 101 C +ATOM 540 NE ARG A 61 16.306 8.342 47.770 1.00 53.62 N +ANISOU 540 NE ARG A 61 7168 6477 6726 653 383 104 N +ATOM 541 CZ ARG A 61 15.525 9.403 47.591 1.00 56.26 C +ANISOU 541 CZ ARG A 61 7518 6794 7064 645 379 97 C +ATOM 542 NH1 ARG A 61 15.015 10.046 48.636 1.00 56.52 N +ANISOU 542 NH1 ARG A 61 7541 6818 7115 633 372 79 N +ATOM 543 NH2 ARG A 61 15.250 9.821 46.364 1.00 58.38 N +ANISOU 543 NH2 ARG A 61 7812 7049 7320 654 380 104 N +ATOM 544 N ARG A 62 20.133 11.886 49.855 1.00 20.64 N +ANISOU 544 N ARG A 62 2971 2283 2588 656 507 103 N +ATOM 545 CA ARG A 62 20.579 13.205 49.457 1.00 23.25 C +ANISOU 545 CA ARG A 62 3326 2588 2921 651 551 105 C +ATOM 546 C ARG A 62 20.267 14.245 50.522 1.00 17.77 C +ANISOU 546 C ARG A 62 2619 1881 2252 635 551 94 C +ATOM 547 O ARG A 62 19.441 14.030 51.403 1.00 16.88 O +ANISOU 547 O ARG A 62 2485 1777 2150 628 517 82 O +ATOM 548 CB ARG A 62 19.941 13.615 48.123 1.00 27.01 C +ANISOU 548 CB ARG A 62 3858 3027 3377 656 555 125 C +ATOM 549 CG ARG A 62 18.435 13.603 48.123 1.00 32.44 C +ANISOU 549 CG ARG A 62 4553 3703 4068 651 500 124 C +ATOM 550 CD ARG A 62 17.884 14.251 46.846 1.00 42.03 C +ANISOU 550 CD ARG A 62 5830 4875 5266 660 496 140 C +ATOM 551 NE ARG A 62 17.889 13.355 45.689 1.00 47.83 N +ANISOU 551 NE ARG A 62 6583 5622 5968 674 500 153 N +ATOM 552 CZ ARG A 62 16.822 12.681 45.265 1.00 51.14 C +ANISOU 552 CZ ARG A 62 6994 6054 6381 676 457 146 C +ATOM 553 NH1 ARG A 62 15.669 12.801 45.914 1.00 55.31 N +ANISOU 553 NH1 ARG A 62 7496 6584 6935 663 409 121 N +ATOM 554 NH2 ARG A 62 16.901 11.890 44.198 1.00 47.05 N +ANISOU 554 NH2 ARG A 62 6491 5549 5837 689 465 156 N +ATOM 555 N TYR A 63 20.945 15.377 50.442 1.00 15.82 N +ANISOU 555 N TYR A 63 2384 1612 2013 628 597 91 N +ATOM 556 CA TYR A 63 20.616 16.466 51.352 1.00 17.88 C +ANISOU 556 CA TYR A 63 2631 1857 2306 613 596 75 C +ATOM 557 C TYR A 63 21.046 17.824 50.859 1.00 21.00 C +ANISOU 557 C TYR A 63 3067 2202 2712 605 642 78 C +ATOM 558 O TYR A 63 21.880 17.950 49.948 1.00 23.83 O +ANISOU 558 O TYR A 63 3465 2544 3046 605 696 88 O +ATOM 559 CB TYR A 63 21.237 16.221 52.723 1.00 13.23 C +ANISOU 559 CB TYR A 63 1979 1316 1731 603 602 50 C +ATOM 560 CG TYR A 63 22.744 16.254 52.783 1.00 17.06 C +ANISOU 560 CG TYR A 63 2438 1832 2212 598 648 36 C +ATOM 561 CD1 TYR A 63 23.423 17.436 53.040 1.00 19.89 C +ANISOU 561 CD1 TYR A 63 2784 2186 2589 575 695 17 C +ATOM 562 CD2 TYR A 63 23.492 15.096 52.642 1.00 19.87 C +ANISOU 562 CD2 TYR A 63 2772 2224 2552 613 639 30 C +ATOM 563 CE1 TYR A 63 24.813 17.466 53.132 1.00 16.90 C +ANISOU 563 CE1 TYR A 63 2368 1849 2205 559 735 -11 C +ATOM 564 CE2 TYR A 63 24.884 15.121 52.734 1.00 19.61 C +ANISOU 564 CE2 TYR A 63 2701 2229 2521 606 671 -3 C +ATOM 565 CZ TYR A 63 25.525 16.314 52.982 1.00 18.57 C +ANISOU 565 CZ TYR A 63 2554 2102 2402 575 719 -25 C +ATOM 566 OH TYR A 63 26.894 16.361 53.084 1.00 22.88 O +ANISOU 566 OH TYR A 63 3053 2693 2948 558 748 -70 O +ATOM 567 N THR A 64 20.462 18.834 51.494 1.00 22.15 N +ANISOU 567 N THR A 64 3205 2318 2893 594 624 62 N +ATOM 568 CA THR A 64 20.718 20.236 51.207 1.00 25.19 C +ANISOU 568 CA THR A 64 3633 2639 3301 581 653 63 C +ATOM 569 C THR A 64 20.686 21.006 52.510 1.00 24.64 C +ANISOU 569 C THR A 64 3500 2583 3279 564 652 24 C +ATOM 570 O THR A 64 20.154 20.521 53.506 1.00 21.60 O +ANISOU 570 O THR A 64 3053 2246 2906 564 620 -3 O +ATOM 571 CB THR A 64 19.669 20.848 50.263 1.00 27.28 C +ANISOU 571 CB THR A 64 3971 2824 3568 590 600 84 C +ATOM 572 OG1 THR A 64 18.363 20.597 50.790 1.00 26.02 O +ANISOU 572 OG1 THR A 64 3766 2687 3432 598 524 54 O +ATOM 573 CG2 THR A 64 19.775 20.256 48.872 1.00 29.09 C +ANISOU 573 CG2 THR A 64 4273 3036 3745 601 608 124 C +ATOM 574 N LYS A 65 21.245 22.207 52.499 1.00 21.10 N +ANISOU 574 N LYS A 65 3059 2109 2848 524 673 20 N +ATOM 575 CA LYS A 65 21.091 23.102 53.628 1.00 24.59 C +ANISOU 575 CA LYS A 65 3443 2555 3345 508 666 -22 C +ATOM 576 C LYS A 65 19.918 24.019 53.329 1.00 30.26 C +ANISOU 576 C LYS A 65 4201 3188 4107 521 604 -31 C +ATOM 577 O LYS A 65 19.910 24.707 52.301 1.00 32.60 O +ANISOU 577 O LYS A 65 4580 3410 4395 510 587 3 O +ATOM 578 CB LYS A 65 22.368 23.891 53.874 1.00 29.43 C +ANISOU 578 CB LYS A 65 4033 3188 3961 459 722 -31 C +ATOM 579 CG LYS A 65 22.294 24.836 55.047 1.00 34.75 C +ANISOU 579 CG LYS A 65 4638 3872 4694 441 721 -79 C +ATOM 580 CD LYS A 65 23.674 25.301 55.461 1.00 40.00 C +ANISOU 580 CD LYS A 65 5260 4581 5355 398 787 -97 C +ATOM 581 CE LYS A 65 23.603 26.212 56.676 1.00 42.45 C +ANISOU 581 CE LYS A 65 5493 4910 5727 381 788 -149 C +ATOM 582 NZ LYS A 65 22.696 25.647 57.708 1.00 39.89 N +ANISOU 582 NZ LYS A 65 5106 4629 5423 407 751 -182 N +ATOM 583 N GLU A 66 18.911 23.991 54.200 1.00 30.41 N +ANISOU 583 N GLU A 66 4166 3219 4170 541 565 -81 N +ATOM 584 CA GLU A 66 17.708 24.807 54.042 1.00 33.21 C +ANISOU 584 CA GLU A 66 4533 3511 4574 552 484 -113 C +ATOM 585 C GLU A 66 17.639 25.811 55.176 1.00 37.73 C +ANISOU 585 C GLU A 66 5031 4087 5219 534 484 -178 C +ATOM 586 O GLU A 66 17.308 25.452 56.305 1.00 32.21 O +ANISOU 586 O GLU A 66 4244 3462 4530 523 486 -232 O +ATOM 587 CB GLU A 66 16.435 23.953 54.048 1.00 36.93 C +ANISOU 587 CB GLU A 66 4981 4016 5034 572 418 -142 C +ATOM 588 CG GLU A 66 16.418 22.768 53.102 1.00 41.05 C +ANISOU 588 CG GLU A 66 5549 4557 5490 585 418 -89 C +ATOM 589 CD GLU A 66 16.219 23.170 51.660 1.00 48.41 C +ANISOU 589 CD GLU A 66 6572 5414 6407 596 380 -46 C +ATOM 590 OE1 GLU A 66 15.653 24.257 51.419 1.00 54.99 O +ANISOU 590 OE1 GLU A 66 7428 6178 7287 600 320 -66 O +ATOM 591 OE2 GLU A 66 16.635 22.399 50.767 1.00 48.44 O +ANISOU 591 OE2 GLU A 66 6624 5429 6353 600 406 6 O +ATOM 592 N GLY A 67 17.940 27.070 54.880 1.00 44.46 N +ANISOU 592 N GLY A 67 6800 4708 5387 666 361 -109 N +ATOM 593 CA GLY A 67 18.051 28.065 55.926 1.00 44.84 C +ANISOU 593 CA GLY A 67 6941 4704 5391 641 389 -129 C +ATOM 594 C GLY A 67 19.214 27.689 56.819 1.00 47.80 C +ANISOU 594 C GLY A 67 7349 5036 5777 525 399 -112 C +ATOM 595 O GLY A 67 20.323 27.467 56.337 1.00 49.03 O +ANISOU 595 O GLY A 67 7505 5172 5953 461 392 -66 O +ATOM 596 N ASN A 68 18.965 27.602 58.120 1.00 45.51 N +ANISOU 596 N ASN A 68 7081 4738 5471 493 417 -144 N +ATOM 597 CA ASN A 68 20.011 27.214 59.057 1.00 47.80 C +ANISOU 597 CA ASN A 68 7401 4989 5770 364 427 -125 C +ATOM 598 C ASN A 68 19.807 25.792 59.584 1.00 36.72 C +ANISOU 598 C ASN A 68 5904 3632 4417 339 422 -129 C +ATOM 599 O ASN A 68 20.162 25.477 60.718 1.00 34.66 O +ANISOU 599 O ASN A 68 5603 3410 4155 228 420 -122 O +ATOM 600 CB ASN A 68 20.087 28.209 60.221 1.00 59.11 C +ANISOU 600 CB ASN A 68 8945 6372 7143 308 452 -155 C +ATOM 601 CG ASN A 68 21.011 29.387 59.928 1.00 62.92 C +ANISOU 601 CG ASN A 68 9533 6791 7582 251 454 -123 C +ATOM 602 OD1 ASN A 68 21.459 29.579 58.797 1.00 61.55 O +ANISOU 602 OD1 ASN A 68 9350 6616 7422 273 440 -86 O +ATOM 603 ND2 ASN A 68 21.298 30.181 60.956 1.00 67.76 N +ANISOU 603 ND2 ASN A 68 10251 7356 8138 173 471 -139 N +ATOM 604 N SER A 69 19.227 24.935 58.758 1.00 30.12 N +ANISOU 604 N SER A 69 4976 2851 3619 418 403 -127 N +ATOM 605 CA SER A 69 19.161 23.525 59.100 1.00 29.29 C +ANISOU 605 CA SER A 69 4724 2842 3561 366 376 -109 C +ATOM 606 C SER A 69 19.526 22.664 57.913 1.00 25.52 C +ANISOU 606 C SER A 69 4195 2372 3130 388 358 -66 C +ATOM 607 O SER A 69 19.425 23.084 56.754 1.00 27.00 O +ANISOU 607 O SER A 69 4426 2524 3309 468 357 -63 O +ATOM 608 CB SER A 69 17.773 23.150 59.622 1.00 39.96 C +ANISOU 608 CB SER A 69 6001 4279 4902 433 365 -160 C +ATOM 609 OG SER A 69 16.767 23.600 58.742 1.00 44.66 O +ANISOU 609 OG SER A 69 6628 4867 5475 575 368 -191 O +ATOM 610 N TRP A 70 19.980 21.458 58.206 1.00 23.17 N +ANISOU 610 N TRP A 70 3793 2132 2877 310 341 -29 N +ATOM 611 CA TRP A 70 20.280 20.496 57.163 1.00 19.58 C +ANISOU 611 CA TRP A 70 3291 1686 2463 332 327 9 C +ATOM 612 C TRP A 70 19.110 19.552 56.986 1.00 21.71 C +ANISOU 612 C TRP A 70 3475 2030 2745 390 298 -24 C +ATOM 613 O TRP A 70 18.544 19.031 57.959 1.00 18.80 O +ANISOU 613 O TRP A 70 3028 1733 2379 353 282 -45 O +ATOM 614 CB TRP A 70 21.543 19.737 57.501 1.00 19.75 C +ANISOU 614 CB TRP A 70 3262 1720 2524 219 332 80 C +ATOM 615 CG TRP A 70 22.708 20.637 57.568 1.00 28.10 C +ANISOU 615 CG TRP A 70 4398 2714 3565 156 356 126 C +ATOM 616 CD1 TRP A 70 23.124 21.376 58.645 1.00 29.48 C +ANISOU 616 CD1 TRP A 70 4612 2879 3711 66 366 129 C +ATOM 617 CD2 TRP A 70 23.617 20.925 56.508 1.00 28.88 C +ANISOU 617 CD2 TRP A 70 4553 2755 3666 172 370 180 C +ATOM 618 NE1 TRP A 70 24.244 22.098 58.312 1.00 28.60 N +ANISOU 618 NE1 TRP A 70 4576 2707 3584 17 381 186 N +ATOM 619 CE2 TRP A 70 24.571 21.831 57.007 1.00 29.42 C +ANISOU 619 CE2 TRP A 70 4666 2805 3707 82 377 215 C +ATOM 620 CE3 TRP A 70 23.725 20.497 55.178 1.00 27.03 C +ANISOU 620 CE3 TRP A 70 4280 2545 3445 238 355 192 C +ATOM 621 CZ2 TRP A 70 25.612 22.318 56.225 1.00 35.86 C +ANISOU 621 CZ2 TRP A 70 5483 3628 4514 66 370 260 C +ATOM 622 CZ3 TRP A 70 24.760 20.978 54.412 1.00 29.15 C +ANISOU 622 CZ3 TRP A 70 4556 2815 3704 221 355 234 C +ATOM 623 CH2 TRP A 70 25.688 21.880 54.935 1.00 33.03 C +ANISOU 623 CH2 TRP A 70 5088 3289 4174 139 361 269 C +ATOM 624 N ARG A 71 18.725 19.353 55.737 1.00 17.92 N +ANISOU 624 N ARG A 71 3009 1535 2265 476 287 -27 N +ATOM 625 CA ARG A 71 17.581 18.510 55.443 1.00 17.68 C +ANISOU 625 CA ARG A 71 2907 1574 2235 526 253 -54 C +ATOM 626 C ARG A 71 18.028 17.274 54.701 1.00 17.05 C +ANISOU 626 C ARG A 71 2790 1498 2190 504 238 -17 C +ATOM 627 O ARG A 71 18.427 17.355 53.535 1.00 17.03 O +ANISOU 627 O ARG A 71 2843 1441 2188 550 246 2 O +ATOM 628 CB ARG A 71 16.541 19.269 54.630 1.00 21.80 C +ANISOU 628 CB ARG A 71 3477 2090 2717 648 249 -90 C +ATOM 629 CG ARG A 71 15.276 18.474 54.369 1.00 29.59 C +ANISOU 629 CG ARG A 71 4386 3164 3694 692 208 -110 C +ATOM 630 CD ARG A 71 14.206 19.359 53.740 1.00 38.69 C +ANISOU 630 CD ARG A 71 5576 4324 4800 812 208 -137 C +ATOM 631 NE ARG A 71 13.883 20.496 54.602 1.00 44.43 N +ANISOU 631 NE ARG A 71 6334 5050 5497 836 236 -162 N +ATOM 632 CZ ARG A 71 13.122 21.526 54.242 1.00 48.99 C +ANISOU 632 CZ ARG A 71 6930 5646 6036 901 241 -171 C +ATOM 633 NH1 ARG A 71 12.590 21.578 53.024 1.00 49.27 N +ANISOU 633 NH1 ARG A 71 6954 5706 6059 948 219 -156 N +ATOM 634 NH2 ARG A 71 12.895 22.508 55.104 1.00 52.06 N +ANISOU 634 NH2 ARG A 71 7357 6026 6397 919 271 -192 N +ATOM 635 N PHE A 72 17.945 16.136 55.375 1.00 11.88 N +ANISOU 635 N PHE A 72 2047 904 1562 437 217 -8 N +ATOM 636 CA PHE A 72 18.390 14.859 54.825 1.00 13.36 C +ANISOU 636 CA PHE A 72 2204 1091 1782 409 207 27 C +ATOM 637 C PHE A 72 17.200 14.029 54.397 1.00 17.95 C +ANISOU 637 C PHE A 72 2742 1727 2349 444 162 -2 C +ATOM 638 O PHE A 72 16.231 13.890 55.157 1.00 17.64 O +ANISOU 638 O PHE A 72 2640 1766 2298 433 133 -31 O +ATOM 639 CB PHE A 72 19.223 14.073 55.853 1.00 14.99 C +ANISOU 639 CB PHE A 72 2345 1321 2028 303 216 69 C +ATOM 640 CG PHE A 72 20.429 14.823 56.355 1.00 16.70 C +ANISOU 640 CG PHE A 72 2593 1497 2254 249 255 110 C +ATOM 641 CD1 PHE A 72 21.659 14.696 55.724 1.00 17.91 C +ANISOU 641 CD1 PHE A 72 2781 1597 2426 238 285 173 C +ATOM 642 CD2 PHE A 72 20.337 15.654 57.462 1.00 18.03 C +ANISOU 642 CD2 PHE A 72 2760 1686 2406 205 261 90 C +ATOM 643 CE1 PHE A 72 22.769 15.399 56.191 1.00 17.89 C +ANISOU 643 CE1 PHE A 72 2802 1569 2426 177 315 222 C +ATOM 644 CE2 PHE A 72 21.450 16.360 57.928 1.00 14.99 C +ANISOU 644 CE2 PHE A 72 2412 1265 2020 140 291 131 C +ATOM 645 CZ PHE A 72 22.659 16.231 57.297 1.00 14.43 C +ANISOU 645 CZ PHE A 72 2367 1149 1968 121 315 200 C +ATOM 646 N GLU A 73 17.279 13.513 53.170 1.00 15.92 N +ANISOU 646 N GLU A 73 2526 1435 2089 484 155 10 N +ATOM 647 CA GLU A 73 16.355 12.518 52.643 1.00 17.24 C +ANISOU 647 CA GLU A 73 2665 1645 2241 494 109 -6 C +ATOM 648 C GLU A 73 16.961 11.150 52.890 1.00 16.04 C +ANISOU 648 C GLU A 73 2480 1490 2124 421 107 27 C +ATOM 649 O GLU A 73 18.022 10.811 52.366 1.00 16.40 O +ANISOU 649 O GLU A 73 2570 1470 2191 418 140 65 O +ATOM 650 CB GLU A 73 16.078 12.734 51.139 1.00 16.72 C +ANISOU 650 CB GLU A 73 2672 1537 2142 575 103 -13 C +ATOM 651 CG GLU A 73 15.355 14.046 50.795 1.00 21.74 C +ANISOU 651 CG GLU A 73 3339 2180 2740 659 104 -42 C +ATOM 652 CD GLU A 73 15.133 14.212 49.282 1.00 32.62 C +ANISOU 652 CD GLU A 73 4784 3522 4087 732 97 -42 C +ATOM 653 OE1 GLU A 73 14.545 13.304 48.646 1.00 35.52 O +ANISOU 653 OE1 GLU A 73 5145 3916 4435 728 59 -46 O +ATOM 654 OE2 GLU A 73 15.559 15.249 48.730 1.00 38.47 O +ANISOU 654 OE2 GLU A 73 5542 4253 4820 733 119 -34 O +ATOM 655 N AVAL A 74 16.307 10.372 53.735 0.44 18.52 N +ANISOU 655 N AVAL A 74 2716 1878 2444 363 70 17 N +ATOM 656 N BVAL A 74 16.276 10.353 53.700 0.56 18.41 N +ANISOU 656 N BVAL A 74 2702 1864 2429 365 69 16 N +ATOM 657 CA AVAL A 74 16.831 9.069 54.073 0.44 19.26 C +ANISOU 657 CA AVAL A 74 2777 1968 2571 292 68 49 C +ATOM 658 CA BVAL A 74 16.803 9.072 54.151 0.56 18.98 C +ANISOU 658 CA BVAL A 74 2737 1938 2537 289 67 48 C +ATOM 659 C AVAL A 74 15.812 8.012 53.681 0.44 20.27 C +ANISOU 659 C AVAL A 74 2890 2137 2674 279 10 30 C +ATOM 660 C BVAL A 74 15.816 7.952 53.843 0.56 20.26 C +ANISOU 660 C BVAL A 74 2879 2143 2677 269 9 32 C +ATOM 661 O AVAL A 74 14.608 8.257 53.699 0.44 20.71 O +ANISOU 661 O AVAL A 74 2915 2262 2694 296 -34 -2 O +ATOM 662 O BVAL A 74 14.624 8.086 54.109 0.56 20.86 O +ANISOU 662 O BVAL A 74 2907 2298 2722 271 -37 1 O +ATOM 663 CB AVAL A 74 17.182 8.976 55.575 0.44 16.13 C +ANISOU 663 CB AVAL A 74 2298 1620 2210 212 77 65 C +ATOM 664 CB BVAL A 74 17.101 9.104 55.667 0.56 15.34 C +ANISOU 664 CB BVAL A 74 2194 1527 2108 213 75 61 C +ATOM 665 CG1AVAL A 74 18.224 10.031 55.934 0.44 15.21 C +ANISOU 665 CG1AVAL A 74 2207 1463 2109 211 129 88 C +ATOM 666 CG1BVAL A 74 17.689 7.782 56.137 0.56 14.47 C +ANISOU 666 CG1BVAL A 74 2042 1418 2037 138 77 102 C +ATOM 667 CG2AVAL A 74 15.950 9.153 56.426 0.44 14.35 C +ANISOU 667 CG2AVAL A 74 1998 1491 1962 196 33 26 C +ATOM 668 CG2BVAL A 74 18.043 10.260 55.992 0.56 14.27 C +ANISOU 668 CG2BVAL A 74 2088 1351 1984 218 126 78 C +ATOM 669 N GLN A 75 16.304 6.850 53.277 1.00 19.62 N +ANISOU 669 N GLN A 75 2837 2010 2606 250 13 56 N +ATOM 670 CA GLN A 75 15.447 5.708 53.010 1.00 16.60 C +ANISOU 670 CA GLN A 75 2451 1659 2199 214 -43 44 C +ATOM 671 C GLN A 75 15.513 4.779 54.220 1.00 16.39 C +ANISOU 671 C GLN A 75 2343 1678 2207 124 -59 63 C +ATOM 672 O GLN A 75 16.601 4.461 54.699 1.00 18.48 O +ANISOU 672 O GLN A 75 2601 1905 2518 96 -14 102 O +ATOM 673 CB GLN A 75 15.881 4.993 51.725 1.00 20.75 C +ANISOU 673 CB GLN A 75 3082 2095 2708 242 -31 55 C +ATOM 674 CG GLN A 75 15.214 3.648 51.516 1.00 23.62 C +ANISOU 674 CG GLN A 75 3460 2470 3046 186 -84 50 C +ATOM 675 CD GLN A 75 15.625 2.984 50.222 1.00 30.19 C +ANISOU 675 CD GLN A 75 4415 3205 3851 217 -68 56 C +ATOM 676 OE1 GLN A 75 15.639 3.619 49.163 1.00 33.74 O +ANISOU 676 OE1 GLN A 75 4933 3618 4271 285 -55 43 O +ATOM 677 NE2 GLN A 75 15.962 1.698 50.298 1.00 26.90 N +ANISOU 677 NE2 GLN A 75 4032 2745 3443 169 -66 76 N +ATOM 678 N VAL A 76 14.360 4.368 54.732 1.00 18.15 N +ANISOU 678 N VAL A 76 2500 1991 2407 78 -122 43 N +ATOM 679 CA VAL A 76 14.308 3.533 55.936 1.00 17.09 C +ANISOU 679 CA VAL A 76 2279 1912 2303 -11 -143 61 C +ATOM 680 C VAL A 76 13.552 2.243 55.625 1.00 21.47 C +ANISOU 680 C VAL A 76 2844 2485 2829 -66 -206 60 C +ATOM 681 O VAL A 76 12.391 2.300 55.229 1.00 23.72 O +ANISOU 681 O VAL A 76 3121 2830 3062 -62 -264 36 O +ATOM 682 CB VAL A 76 13.628 4.259 57.110 1.00 20.18 C +ANISOU 682 CB VAL A 76 2564 2411 2693 -29 -162 43 C +ATOM 683 CG1 VAL A 76 13.551 3.339 58.346 1.00 19.78 C +ANISOU 683 CG1 VAL A 76 2420 2424 2672 -126 -188 64 C +ATOM 684 CG2 VAL A 76 14.364 5.561 57.452 1.00 18.77 C +ANISOU 684 CG2 VAL A 76 2392 2206 2534 15 -102 42 C +ATOM 685 N ASP A 77 14.218 1.096 55.780 1.00 18.85 N +ANISOU 685 N ASP A 77 2535 2101 2527 -117 -194 91 N +ATOM 686 CA ASP A 77 13.632 -0.203 55.453 1.00 26.13 C +ANISOU 686 CA ASP A 77 3491 3018 3420 -175 -250 92 C +ATOM 687 C ASP A 77 13.475 -1.054 56.689 1.00 26.79 C +ANISOU 687 C ASP A 77 3483 3162 3532 -270 -280 114 C +ATOM 688 O ASP A 77 14.338 -1.043 57.557 1.00 22.39 O +ANISOU 688 O ASP A 77 2876 2600 3032 -287 -234 143 O +ATOM 689 CB ASP A 77 14.499 -0.999 54.473 1.00 34.78 C +ANISOU 689 CB ASP A 77 4715 3983 4515 -152 -210 110 C +ATOM 690 CG ASP A 77 14.985 -0.182 53.311 1.00 49.29 C +ANISOU 690 CG ASP A 77 6643 5748 6336 -56 -163 99 C +ATOM 691 OD1 ASP A 77 14.198 0.598 52.752 1.00 56.72 O +ANISOU 691 OD1 ASP A 77 7589 6728 7234 -19 -194 67 O +ATOM 692 OD2 ASP A 77 16.166 -0.333 52.944 1.00 57.33 O +ANISOU 692 OD2 ASP A 77 7726 6675 7384 -15 -93 130 O +ATOM 693 N ASN A 78 12.396 -1.822 56.732 1.00 33.40 N +ANISOU 693 N ASN A 78 4302 4060 4330 -336 -359 105 N +ATOM 694 CA ASN A 78 12.292 -2.933 57.665 1.00 35.69 C +ANISOU 694 CA ASN A 78 4535 4383 4641 -433 -393 131 C +ATOM 695 C ASN A 78 11.196 -3.906 57.263 1.00 31.43 C +ANISOU 695 C ASN A 78 4025 3875 4041 -505 -481 125 C +ATOM 696 O ASN A 78 10.101 -3.503 56.860 1.00 29.54 O +ANISOU 696 O ASN A 78 3769 3712 3744 -502 -539 104 O +ATOM 697 CB ASN A 78 12.038 -2.434 59.088 1.00 43.84 C +ANISOU 697 CB ASN A 78 5419 5534 5706 -468 -401 136 C +ATOM 698 CG ASN A 78 12.682 -3.329 60.140 1.00 49.09 C +ANISOU 698 CG ASN A 78 6030 6196 6427 -542 -387 176 C +ATOM 699 OD1 ASN A 78 13.144 -4.434 59.835 1.00 48.50 O +ANISOU 699 OD1 ASN A 78 6027 6040 6362 -573 -382 201 O +ATOM 700 ND2 ASN A 78 12.717 -2.857 61.381 1.00 51.19 N +ANISOU 700 ND2 ASN A 78 6176 6549 6725 -570 -380 185 N +ATOM 701 N ASN A 79 11.509 -5.193 57.372 1.00 37.80 N +ANISOU 701 N ASN A 79 4881 4622 4859 -571 -491 149 N +ATOM 702 CA ASN A 79 10.532 -6.258 57.193 1.00 40.90 C +ANISOU 702 CA ASN A 79 5302 5043 5196 -665 -580 150 C +ATOM 703 C ASN A 79 9.861 -6.201 55.824 1.00 40.32 C +ANISOU 703 C ASN A 79 5337 4941 5041 -646 -621 123 C +ATOM 704 O ASN A 79 8.668 -6.468 55.697 1.00 42.13 O +ANISOU 704 O ASN A 79 5543 5257 5207 -714 -710 121 O +ATOM 705 CB ASN A 79 9.468 -6.200 58.300 1.00 47.17 C +ANISOU 705 CB ASN A 79 5941 6001 5981 -741 -654 158 C +ATOM 706 CG ASN A 79 10.061 -6.289 59.709 1.00 51.59 C +ANISOU 706 CG ASN A 79 6388 6598 6614 -771 -622 184 C +ATOM 707 OD1 ASN A 79 11.040 -7.004 59.948 1.00 52.57 O +ANISOU 707 OD1 ASN A 79 6553 6634 6788 -785 -575 211 O +ATOM 708 ND2 ASN A 79 9.457 -5.564 60.650 1.00 51.03 N +ANISOU 708 ND2 ASN A 79 6187 6657 6545 -749 -619 175 N +ATOM 709 N GLY A 80 10.625 -5.836 54.804 1.00 42.34 N +ANISOU 709 N GLY A 80 5707 5083 5297 -558 -555 110 N +ATOM 710 CA GLY A 80 10.110 -5.810 53.444 1.00 44.25 C +ANISOU 710 CA GLY A 80 6064 5286 5462 -540 -586 86 C +ATOM 711 C GLY A 80 9.414 -4.523 53.038 1.00 39.57 C +ANISOU 711 C GLY A 80 5416 4780 4837 -478 -603 65 C +ATOM 712 O GLY A 80 8.959 -4.394 51.905 1.00 39.66 O +ANISOU 712 O GLY A 80 5512 4772 4784 -460 -629 49 O +ATOM 713 N GLN A 81 9.326 -3.567 53.956 1.00 34.65 N +ANISOU 713 N GLN A 81 4658 4253 4256 -445 -585 66 N +ATOM 714 CA GLN A 81 8.720 -2.286 53.633 1.00 32.59 C +ANISOU 714 CA GLN A 81 4347 4067 3967 -373 -590 49 C +ATOM 715 C GLN A 81 9.757 -1.167 53.588 1.00 27.96 C +ANISOU 715 C GLN A 81 3770 3419 3434 -265 -495 38 C +ATOM 716 O GLN A 81 10.569 -1.042 54.499 1.00 30.19 O +ANISOU 716 O GLN A 81 4003 3687 3782 -262 -444 50 O +ATOM 717 CB GLN A 81 7.631 -1.940 54.632 1.00 34.57 C +ANISOU 717 CB GLN A 81 4445 4484 4205 -410 -647 58 C +ATOM 718 CG GLN A 81 6.844 -0.705 54.236 1.00 39.68 C +ANISOU 718 CG GLN A 81 5048 5216 4812 -332 -655 47 C +ATOM 719 CD GLN A 81 5.528 -0.600 54.966 1.00 42.01 C +ANISOU 719 CD GLN A 81 5208 5686 5069 -374 -727 67 C +ATOM 720 OE1 GLN A 81 4.574 -1.320 54.660 1.00 43.29 O +ANISOU 720 OE1 GLN A 81 5363 5917 5168 -452 -811 88 O +ATOM 721 NE2 GLN A 81 5.465 0.297 55.935 1.00 39.09 N +ANISOU 721 NE2 GLN A 81 4731 5390 4730 -326 -694 64 N +ATOM 722 N THR A 82 9.713 -0.360 52.528 1.00 20.67 N +ANISOU 722 N THR A 82 2910 2464 2479 -184 -477 21 N +ATOM 723 CA THR A 82 10.651 0.732 52.332 1.00 17.62 C +ANISOU 723 CA THR A 82 2546 2015 2133 -85 -394 13 C +ATOM 724 C THR A 82 9.951 2.083 52.441 1.00 18.95 C +ANISOU 724 C THR A 82 2644 2273 2284 -20 -399 -2 C +ATOM 725 O THR A 82 8.934 2.298 51.817 1.00 23.08 O +ANISOU 725 O THR A 82 3165 2857 2746 -9 -450 -8 O +ATOM 726 CB THR A 82 11.334 0.639 50.969 1.00 21.17 C +ANISOU 726 CB THR A 82 3139 2340 2565 -31 -356 8 C +ATOM 727 OG1 THR A 82 12.112 -0.561 50.905 1.00 24.56 O +ANISOU 727 OG1 THR A 82 3644 2675 3014 -73 -334 24 O +ATOM 728 CG2 THR A 82 12.237 1.829 50.753 1.00 19.36 C +ANISOU 728 CG2 THR A 82 2927 2059 2372 67 -278 6 C +ATOM 729 N GLU A 83 10.495 2.990 53.244 1.00 19.55 N +ANISOU 729 N GLU A 83 2664 2357 2408 21 -345 -3 N +ATOM 730 CA GLU A 83 9.888 4.302 53.432 1.00 20.82 C +ANISOU 730 CA GLU A 83 2769 2591 2552 89 -340 -18 C +ATOM 731 C GLU A 83 10.884 5.430 53.152 1.00 19.69 C +ANISOU 731 C GLU A 83 2680 2362 2439 174 -262 -26 C +ATOM 732 O GLU A 83 12.103 5.252 53.305 1.00 18.78 O +ANISOU 732 O GLU A 83 2602 2162 2373 165 -209 -12 O +ATOM 733 CB GLU A 83 9.336 4.438 54.865 1.00 21.42 C +ANISOU 733 CB GLU A 83 2717 2780 2641 50 -359 -15 C +ATOM 734 CG GLU A 83 8.279 3.408 55.239 1.00 25.41 C +ANISOU 734 CG GLU A 83 3153 3389 3114 -38 -442 0 C +ATOM 735 CD GLU A 83 7.499 3.767 56.506 1.00 33.51 C +ANISOU 735 CD GLU A 83 4046 4550 4137 -54 -463 4 C +ATOM 736 OE1 GLU A 83 7.895 4.692 57.239 1.00 29.92 O +ANISOU 736 OE1 GLU A 83 3560 4098 3712 -9 -410 -8 O +ATOM 737 OE2 GLU A 83 6.470 3.113 56.768 1.00 44.42 O +ANISOU 737 OE2 GLU A 83 5358 6039 5480 -114 -535 21 O +ATOM 738 N GLN A 84 10.350 6.575 52.736 1.00 17.71 N +ANISOU 738 N GLN A 84 2432 2141 2157 255 -257 -41 N +ATOM 739 CA GLN A 84 11.125 7.801 52.577 1.00 14.81 C +ANISOU 739 CA GLN A 84 2110 1706 1812 333 -190 -49 C +ATOM 740 C GLN A 84 10.835 8.756 53.723 1.00 16.38 C +ANISOU 740 C GLN A 84 2235 1970 2019 352 -172 -60 C +ATOM 741 O GLN A 84 9.722 9.241 53.893 1.00 20.87 O +ANISOU 741 O GLN A 84 2751 2630 2548 388 -200 -69 O +ATOM 742 CB GLN A 84 10.823 8.472 51.234 1.00 15.90 C +ANISOU 742 CB GLN A 84 2322 1813 1907 417 -189 -57 C +ATOM 743 CG GLN A 84 10.955 7.517 50.039 1.00 20.77 C +ANISOU 743 CG GLN A 84 3019 2372 2500 397 -212 -50 C +ATOM 744 CD GLN A 84 12.358 6.949 49.892 1.00 32.66 C +ANISOU 744 CD GLN A 84 4593 3765 4052 376 -161 -35 C +ATOM 745 OE1 GLN A 84 13.350 7.654 50.093 1.00 37.23 O +ANISOU 745 OE1 GLN A 84 5191 4287 4669 410 -101 -27 O +ATOM 746 NE2 GLN A 84 12.450 5.658 49.547 1.00 36.95 N +ANISOU 746 NE2 GLN A 84 5175 4276 4586 318 -185 -27 N +ATOM 747 N TRP A 85 11.862 9.008 54.514 1.00 15.77 N +ANISOU 747 N TRP A 85 2156 1846 1989 328 -123 -54 N +ATOM 748 CA TRP A 85 11.761 9.852 55.689 1.00 17.70 C +ANISOU 748 CA TRP A 85 2346 2138 2242 332 -101 -66 C +ATOM 749 C TRP A 85 12.571 11.114 55.473 1.00 20.31 C +ANISOU 749 C TRP A 85 2751 2386 2581 392 -40 -72 C +ATOM 750 O TRP A 85 13.499 11.135 54.676 1.00 19.78 O +ANISOU 750 O TRP A 85 2758 2226 2530 406 -10 -57 O +ATOM 751 CB TRP A 85 12.284 9.133 56.925 1.00 14.69 C +ANISOU 751 CB TRP A 85 1899 1780 1904 235 -98 -50 C +ATOM 752 CG TRP A 85 11.490 7.966 57.417 1.00 19.86 C +ANISOU 752 CG TRP A 85 2469 2525 2553 165 -158 -43 C +ATOM 753 CD1 TRP A 85 10.571 7.222 56.729 1.00 22.47 C +ANISOU 753 CD1 TRP A 85 2793 2899 2847 158 -217 -41 C +ATOM 754 CD2 TRP A 85 11.558 7.405 58.733 1.00 23.54 C +ANISOU 754 CD2 TRP A 85 2847 3050 3047 81 -169 -32 C +ATOM 755 NE1 TRP A 85 10.064 6.230 57.542 1.00 23.94 N +ANISOU 755 NE1 TRP A 85 2893 3166 3036 73 -266 -28 N +ATOM 756 CE2 TRP A 85 10.655 6.323 58.778 1.00 25.77 C +ANISOU 756 CE2 TRP A 85 3072 3410 3311 28 -235 -23 C +ATOM 757 CE3 TRP A 85 12.304 7.712 59.880 1.00 23.54 C +ANISOU 757 CE3 TRP A 85 2813 3048 3084 37 -131 -25 C +ATOM 758 CZ2 TRP A 85 10.473 5.545 59.926 1.00 22.98 C +ANISOU 758 CZ2 TRP A 85 2624 3130 2976 -60 -264 -9 C +ATOM 759 CZ3 TRP A 85 12.116 6.948 61.020 1.00 24.32 C +ANISOU 759 CZ3 TRP A 85 2817 3223 3202 -49 -157 -12 C +ATOM 760 CH2 TRP A 85 11.211 5.870 61.028 1.00 22.99 C +ANISOU 760 CH2 TRP A 85 2589 3129 3017 -94 -222 -4 C +ATOM 761 N GLU A 86 12.232 12.164 56.203 1.00 21.84 N +ANISOU 761 N GLU A 86 2928 2611 2759 427 -19 -92 N +ATOM 762 CA GLU A 86 12.975 13.407 56.146 1.00 21.12 C +ANISOU 762 CA GLU A 86 2914 2440 2670 472 36 -99 C +ATOM 763 C GLU A 86 13.554 13.659 57.513 1.00 20.09 C +ANISOU 763 C GLU A 86 2754 2317 2562 405 63 -98 C +ATOM 764 O GLU A 86 12.845 13.511 58.513 1.00 16.97 O +ANISOU 764 O GLU A 86 2283 2008 2156 380 45 -112 O +ATOM 765 CB GLU A 86 12.069 14.567 55.734 1.00 28.89 C +ANISOU 765 CB GLU A 86 3932 3441 3605 581 43 -124 C +ATOM 766 CG GLU A 86 12.725 15.921 55.812 1.00 33.28 C +ANISOU 766 CG GLU A 86 4574 3915 4156 624 98 -134 C +ATOM 767 CD GLU A 86 11.727 17.057 55.690 1.00 35.91 C +ANISOU 767 CD GLU A 86 4933 4273 4439 733 110 -159 C +ATOM 768 OE1 GLU A 86 11.372 17.405 54.546 1.00 42.10 O +ANISOU 768 OE1 GLU A 86 5760 5036 5201 813 106 -156 O +ATOM 769 OE2 GLU A 86 11.296 17.591 56.735 1.00 36.09 O +ANISOU 769 OE2 GLU A 86 4932 4337 4442 742 126 -178 O +ATOM 770 N VAL A 87 14.836 14.014 57.563 1.00 15.48 N +ANISOU 770 N VAL A 87 2226 1650 2005 372 104 -77 N +ATOM 771 CA VAL A 87 15.508 14.281 58.831 1.00 15.61 C +ANISOU 771 CA VAL A 87 2222 1671 2040 294 129 -69 C +ATOM 772 C VAL A 87 16.084 15.679 58.809 1.00 16.37 C +ANISOU 772 C VAL A 87 2413 1691 2115 325 174 -76 C +ATOM 773 O VAL A 87 16.983 15.964 58.026 1.00 20.22 O +ANISOU 773 O VAL A 87 2971 2099 2614 334 196 -50 O +ATOM 774 CB VAL A 87 16.630 13.280 59.106 1.00 15.23 C +ANISOU 774 CB VAL A 87 2140 1605 2042 197 135 -19 C +ATOM 775 CG1 VAL A 87 17.326 13.603 60.440 1.00 18.74 C +ANISOU 775 CG1 VAL A 87 2558 2062 2499 108 158 -4 C +ATOM 776 CG2 VAL A 87 16.087 11.894 59.119 1.00 13.72 C +ANISOU 776 CG2 VAL A 87 1870 1476 1868 165 92 -12 C +ATOM 777 N GLN A 88 15.572 16.566 59.658 1.00 14.63 N +ANISOU 777 N GLN A 88 2203 1494 1861 340 187 -111 N +ATOM 778 CA GLN A 88 15.997 17.954 59.618 1.00 16.68 C +ANISOU 778 CA GLN A 88 2572 1675 2091 373 228 -123 C +ATOM 779 C GLN A 88 16.836 18.239 60.853 1.00 16.36 C +ANISOU 779 C GLN A 88 2536 1624 2055 267 250 -111 C +ATOM 780 O GLN A 88 16.401 17.994 61.976 1.00 17.19 O +ANISOU 780 O GLN A 88 2578 1800 2155 222 242 -128 O +ATOM 781 CB GLN A 88 14.776 18.873 59.532 1.00 22.95 C +ANISOU 781 CB GLN A 88 3400 2488 2833 487 234 -170 C +ATOM 782 CG GLN A 88 15.078 20.327 59.294 1.00 31.00 C +ANISOU 782 CG GLN A 88 4549 3413 3816 542 276 -186 C +ATOM 783 CD GLN A 88 13.944 21.030 58.559 1.00 41.70 C +ANISOU 783 CD GLN A 88 5940 4773 5129 684 281 -214 C +ATOM 784 OE1 GLN A 88 13.850 20.973 57.327 1.00 44.60 O +ANISOU 784 OE1 GLN A 88 6329 5116 5502 746 270 -201 O +ATOM 785 NE2 GLN A 88 13.078 21.693 59.312 1.00 42.87 N +ANISOU 785 NE2 GLN A 88 6097 4957 5234 740 300 -249 N +ATOM 786 N ILE A 89 18.051 18.728 60.656 1.00 13.72 N +ANISOU 786 N ILE A 89 2274 1211 1728 218 275 -77 N +ATOM 787 CA ILE A 89 18.953 18.920 61.785 1.00 13.86 C +ANISOU 787 CA ILE A 89 2293 1225 1748 98 291 -52 C +ATOM 788 C ILE A 89 19.393 20.364 61.913 1.00 16.61 C +ANISOU 788 C ILE A 89 2771 1490 2050 96 323 -64 C +ATOM 789 O ILE A 89 19.882 20.939 60.945 1.00 19.83 O +ANISOU 789 O ILE A 89 3262 1822 2452 136 335 -47 O +ATOM 790 CB ILE A 89 20.191 18.022 61.646 1.00 16.89 C +ANISOU 790 CB ILE A 89 2628 1607 2182 6 289 23 C +ATOM 791 CG1 ILE A 89 19.740 16.573 61.415 1.00 15.61 C +ANISOU 791 CG1 ILE A 89 2358 1512 2063 15 259 33 C +ATOM 792 CG2 ILE A 89 21.075 18.136 62.864 1.00 20.59 C +ANISOU 792 CG2 ILE A 89 3080 2092 2651 -127 300 58 C +ATOM 793 CD1 ILE A 89 20.837 15.524 61.518 1.00 13.33 C +ANISOU 793 CD1 ILE A 89 2006 1235 1825 -72 261 107 C +ATOM 794 N GLU A 90 19.208 20.958 63.088 1.00 17.62 N +ANISOU 794 N GLU A 90 2925 1630 2140 51 335 -95 N +ATOM 795 CA GLU A 90 19.776 22.273 63.355 1.00 25.25 C +ANISOU 795 CA GLU A 90 4026 2510 3056 19 364 -102 C +ATOM 796 C GLU A 90 21.031 22.116 64.200 1.00 22.50 C +ANISOU 796 C GLU A 90 3665 2166 2717 -145 365 -45 C +ATOM 797 O GLU A 90 20.986 21.581 65.294 1.00 21.68 O +ANISOU 797 O GLU A 90 3485 2133 2621 -226 356 -44 O +ATOM 798 CB GLU A 90 18.776 23.186 64.060 1.00 37.64 C +ANISOU 798 CB GLU A 90 5664 4074 4565 81 385 -173 C +ATOM 799 CG GLU A 90 17.512 23.483 63.267 1.00 51.64 C +ANISOU 799 CG GLU A 90 7452 5849 6319 249 390 -220 C +ATOM 800 CD GLU A 90 16.584 24.467 63.978 1.00 64.29 C +ANISOU 800 CD GLU A 90 9131 7442 7855 321 421 -282 C +ATOM 801 OE1 GLU A 90 16.697 24.625 65.216 1.00 65.55 O +ANISOU 801 OE1 GLU A 90 9298 7620 7986 241 433 -299 O +ATOM 802 OE2 GLU A 90 15.738 25.084 63.295 1.00 70.23 O +ANISOU 802 OE2 GLU A 90 9936 8170 8580 462 438 -311 O +ATOM 803 N VAL A 91 22.156 22.563 63.663 1.00 23.10 N +ANISOU 803 N VAL A 91 3810 2175 2792 -194 373 9 N +ATOM 804 CA VAL A 91 23.418 22.556 64.378 1.00 25.94 C +ANISOU 804 CA VAL A 91 4165 2539 3151 -353 374 78 C +ATOM 805 C VAL A 91 23.671 23.966 64.867 1.00 32.45 C +ANISOU 805 C VAL A 91 5142 3285 3901 -401 392 54 C +ATOM 806 O VAL A 91 23.860 24.873 64.065 1.00 36.74 O +ANISOU 806 O VAL A 91 5802 3740 4417 -352 403 52 O +ATOM 807 CB VAL A 91 24.586 22.116 63.481 1.00 29.56 C +ANISOU 807 CB VAL A 91 4596 2985 3650 -386 372 170 C +ATOM 808 CG1 VAL A 91 25.833 21.910 64.303 1.00 28.86 C +ANISOU 808 CG1 VAL A 91 4466 2934 3565 -551 369 254 C +ATOM 809 CG2 VAL A 91 24.229 20.850 62.692 1.00 23.18 C +ANISOU 809 CG2 VAL A 91 3677 2225 2905 -305 361 181 C +ATOM 810 N ARG A 92 23.645 24.166 66.175 1.00 36.06 N +ANISOU 810 N ARG A 92 5607 3770 4323 -497 394 35 N +ATOM 811 CA ARG A 92 23.916 25.488 66.721 1.00 41.29 C +ANISOU 811 CA ARG A 92 6431 4352 4907 -558 411 11 C +ATOM 812 C ARG A 92 25.190 25.419 67.548 1.00 46.64 C +ANISOU 812 C ARG A 92 7090 5059 5572 -751 397 88 C +ATOM 813 O ARG A 92 25.320 24.562 68.418 1.00 41.68 O +ANISOU 813 O ARG A 92 6330 4536 4971 -824 380 110 O +ATOM 814 CB ARG A 92 22.741 25.987 67.566 1.00 40.85 C +ANISOU 814 CB ARG A 92 6427 4295 4798 -498 429 -85 C +ATOM 815 CG ARG A 92 21.383 26.014 66.843 1.00 41.47 C +ANISOU 815 CG ARG A 92 6500 4371 4885 -301 441 -153 C +ATOM 816 CD ARG A 92 21.332 27.084 65.759 1.00 41.09 C +ANISOU 816 CD ARG A 92 6596 4209 4806 -200 460 -169 C +ATOM 817 NE ARG A 92 19.969 27.343 65.300 1.00 43.23 N +ANISOU 817 NE ARG A 92 6883 4478 5065 -18 478 -236 N +ATOM 818 CZ ARG A 92 19.470 26.901 64.150 1.00 47.10 C +ANISOU 818 CZ ARG A 92 7311 4988 5599 102 467 -231 C +ATOM 819 NH1 ARG A 92 20.227 26.177 63.339 1.00 50.44 N +ANISOU 819 NH1 ARG A 92 7662 5424 6079 65 442 -169 N +ATOM 820 NH2 ARG A 92 18.220 27.189 63.806 1.00 47.28 N +ANISOU 820 NH2 ARG A 92 7345 5018 5602 259 483 -284 N +ATOM 821 N ASN A 93 26.134 26.306 67.255 1.00 53.63 N +ANISOU 821 N ASN A 93 8026 5929 6420 -777 377 117 N +ATOM 822 CA ASN A 93 27.402 26.364 67.981 1.00 58.99 C +ANISOU 822 CA ASN A 93 8618 6704 7090 -888 333 172 C +ATOM 823 C ASN A 93 28.163 25.044 67.963 1.00 55.49 C +ANISOU 823 C ASN A 93 7959 6387 6738 -896 300 248 C +ATOM 824 O ASN A 93 28.641 24.590 68.998 1.00 59.23 O +ANISOU 824 O ASN A 93 8329 6951 7224 -959 275 271 O +ATOM 825 CB ASN A 93 27.167 26.800 69.430 1.00 66.11 C +ANISOU 825 CB ASN A 93 9577 7618 7925 -980 336 127 C +ATOM 826 CG ASN A 93 26.597 28.199 69.530 1.00 72.52 C +ANISOU 826 CG ASN A 93 10615 8299 8638 -969 372 56 C +ATOM 827 OD1 ASN A 93 27.008 29.103 68.802 1.00 75.84 O +ANISOU 827 OD1 ASN A 93 11133 8656 9026 -943 369 62 O +ATOM 828 ND2 ASN A 93 25.638 28.386 70.429 1.00 73.07 N +ANISOU 828 ND2 ASN A 93 10771 8330 8664 -979 406 -13 N +ATOM 829 N GLY A 94 28.264 24.429 66.790 1.00 47.85 N +ANISOU 829 N GLY A 94 6931 5417 5833 -817 304 286 N +ATOM 830 CA GLY A 94 28.974 23.169 66.639 1.00 41.20 C +ANISOU 830 CA GLY A 94 5901 4674 5077 -799 284 359 C +ATOM 831 C GLY A 94 28.334 21.936 67.267 1.00 40.30 C +ANISOU 831 C GLY A 94 5678 4623 5009 -795 285 350 C +ATOM 832 O GLY A 94 28.902 20.843 67.213 1.00 38.02 O +ANISOU 832 O GLY A 94 5245 4407 4794 -766 276 405 O +ATOM 833 N ARG A 95 27.157 22.089 67.871 1.00 36.59 N +ANISOU 833 N ARG A 95 5280 4123 4499 -816 304 279 N +ATOM 834 CA ARG A 95 26.507 20.955 68.531 1.00 31.51 C +ANISOU 834 CA ARG A 95 4526 3551 3897 -822 301 268 C +ATOM 835 C ARG A 95 25.122 20.677 67.946 1.00 23.98 C +ANISOU 835 C ARG A 95 3636 2531 2944 -771 341 212 C +ATOM 836 O ARG A 95 24.492 21.583 67.413 1.00 25.98 O +ANISOU 836 O ARG A 95 4012 2703 3157 -685 358 150 O +ATOM 837 CB ARG A 95 26.394 21.216 70.035 1.00 37.85 C +ANISOU 837 CB ARG A 95 5321 4403 4658 -902 288 236 C +ATOM 838 CG ARG A 95 27.689 21.002 70.811 1.00 41.78 C +ANISOU 838 CG ARG A 95 5713 4982 5177 -933 251 293 C +ATOM 839 CD ARG A 95 27.794 21.954 71.988 1.00 43.83 C +ANISOU 839 CD ARG A 95 6054 5244 5356 -1020 243 258 C +ATOM 840 NE ARG A 95 26.570 22.000 72.782 1.00 47.14 N +ANISOU 840 NE ARG A 95 6519 5659 5732 -1055 263 188 N +ATOM 841 CZ ARG A 95 26.465 21.528 74.023 1.00 50.12 C +ANISOU 841 CZ ARG A 95 6819 6117 6109 -1091 244 180 C +ATOM 842 NH1 ARG A 95 27.516 20.969 74.611 1.00 50.60 N +ANISOU 842 NH1 ARG A 95 6767 6251 6209 -1088 208 234 N +ATOM 843 NH2 ARG A 95 25.312 21.614 74.675 1.00 47.48 N +ANISOU 843 NH2 ARG A 95 6527 5781 5733 -1123 269 114 N +ATOM 844 N ILE A 96 24.652 19.433 68.054 1.00 22.55 N +ANISOU 844 N ILE A 96 3329 2421 2818 -756 332 218 N +ATOM 845 CA ILE A 96 23.321 19.080 67.562 1.00 20.29 C +ANISOU 845 CA ILE A 96 3017 2147 2546 -613 324 141 C +ATOM 846 C ILE A 96 22.274 19.664 68.485 1.00 18.93 C +ANISOU 846 C ILE A 96 2878 1994 2322 -593 326 56 C +ATOM 847 O ILE A 96 22.176 19.279 69.665 1.00 19.04 O +ANISOU 847 O ILE A 96 2822 2079 2333 -678 318 55 O +ATOM 848 CB ILE A 96 23.091 17.571 67.466 1.00 20.83 C +ANISOU 848 CB ILE A 96 2938 2294 2681 -601 303 169 C +ATOM 849 CG1 ILE A 96 24.180 16.881 66.642 1.00 22.24 C +ANISOU 849 CG1 ILE A 96 3080 2459 2910 -620 309 261 C +ATOM 850 CG2 ILE A 96 21.708 17.294 66.871 1.00 19.61 C +ANISOU 850 CG2 ILE A 96 2768 2153 2531 -461 288 96 C +ATOM 851 CD1 ILE A 96 24.343 17.433 65.271 1.00 22.04 C +ANISOU 851 CD1 ILE A 96 3148 2349 2877 -523 321 260 C +ATOM 852 N LYS A 97 21.475 20.587 67.962 1.00 19.08 N +ANISOU 852 N LYS A 97 3001 1951 2298 -474 340 -12 N +ATOM 853 CA LYS A 97 20.524 21.296 68.816 1.00 19.07 C +ANISOU 853 CA LYS A 97 3051 1957 2236 -441 354 -90 C +ATOM 854 C LYS A 97 19.119 20.714 68.743 1.00 16.63 C +ANISOU 854 C LYS A 97 2657 1721 1940 -323 341 -141 C +ATOM 855 O LYS A 97 18.494 20.423 69.772 1.00 17.80 O +ANISOU 855 O LYS A 97 2742 1948 2075 -346 336 -170 O +ATOM 856 CB LYS A 97 20.496 22.779 68.449 1.00 27.37 C +ANISOU 856 CB LYS A 97 4283 2896 3222 -384 384 -130 C +ATOM 857 CG LYS A 97 19.439 23.585 69.168 1.00 34.80 C +ANISOU 857 CG LYS A 97 5297 3830 4095 -316 409 -212 C +ATOM 858 CD LYS A 97 19.678 23.627 70.664 1.00 46.05 C +ANISOU 858 CD LYS A 97 6715 5297 5484 -447 413 -218 C +ATOM 859 CE LYS A 97 18.616 24.475 71.365 1.00 52.51 C +ANISOU 859 CE LYS A 97 7621 6105 6227 -366 446 -301 C +ATOM 860 NZ LYS A 97 18.651 24.346 72.851 1.00 52.40 N +ANISOU 860 NZ LYS A 97 7579 6151 6179 -480 449 -314 N +ATOM 861 N ARG A 98 18.615 20.547 67.532 1.00 17.05 N +ANISOU 861 N ARG A 98 2707 1757 2015 -202 334 -149 N +ATOM 862 CA ARG A 98 17.262 20.046 67.347 1.00 18.38 C +ANISOU 862 CA ARG A 98 2798 1997 2187 -92 317 -188 C +ATOM 863 C ARG A 98 17.234 19.151 66.116 1.00 17.92 C +ANISOU 863 C ARG A 98 2679 1948 2184 -41 290 -157 C +ATOM 864 O ARG A 98 17.819 19.495 65.079 1.00 18.67 O +ANISOU 864 O ARG A 98 2844 1961 2286 -10 300 -135 O +ATOM 865 CB ARG A 98 16.269 21.212 67.218 1.00 23.72 C +ANISOU 865 CB ARG A 98 3576 2639 2799 39 347 -252 C +ATOM 866 CG ARG A 98 14.797 20.812 67.237 1.00 36.64 C +ANISOU 866 CG ARG A 98 5127 4371 4425 148 333 -286 C +ATOM 867 CD ARG A 98 13.866 22.006 67.511 1.00 50.38 C +ANISOU 867 CD ARG A 98 6961 6091 6090 265 374 -342 C +ATOM 868 NE ARG A 98 14.181 22.719 68.756 1.00 65.45 N +ANISOU 868 NE ARG A 98 8945 7974 7950 195 407 -369 N +ATOM 869 CZ ARG A 98 13.556 22.541 69.924 1.00 71.63 C +ANISOU 869 CZ ARG A 98 9670 8843 8704 179 412 -394 C +ATOM 870 NH1 ARG A 98 12.567 21.663 70.030 1.00 73.22 N +ANISOU 870 NH1 ARG A 98 9728 9168 8923 226 383 -391 N +ATOM 871 NH2 ARG A 98 13.921 23.244 70.995 1.00 72.38 N +ANISOU 871 NH2 ARG A 98 9852 8902 8747 109 444 -420 N +ATOM 872 N VAL A 99 16.573 18.007 66.237 1.00 15.42 N +ANISOU 872 N VAL A 99 2236 1725 1898 -37 256 -153 N +ATOM 873 CA VAL A 99 16.415 17.077 65.126 1.00 16.11 C +ANISOU 873 CA VAL A 99 2271 1823 2028 8 228 -128 C +ATOM 874 C VAL A 99 14.943 16.776 64.944 1.00 20.16 C +ANISOU 874 C VAL A 99 2724 2414 2521 102 201 -164 C +ATOM 875 O VAL A 99 14.236 16.503 65.911 1.00 21.49 O +ANISOU 875 O VAL A 99 2817 2672 2676 83 189 -182 O +ATOM 876 CB VAL A 99 17.194 15.764 65.354 1.00 16.27 C +ANISOU 876 CB VAL A 99 2196 1879 2109 -100 206 -71 C +ATOM 877 CG1 VAL A 99 16.854 14.734 64.255 1.00 15.48 C +ANISOU 877 CG1 VAL A 99 2050 1789 2041 -48 175 -55 C +ATOM 878 CG2 VAL A 99 18.686 16.053 65.384 1.00 16.18 C +ANISOU 878 CG2 VAL A 99 2235 1798 2114 -185 233 -18 C +ATOM 879 N THR A 100 14.476 16.857 63.707 1.00 16.72 N +ANISOU 879 N THR A 100 2320 1953 2081 203 193 -170 N +ATOM 880 CA THR A 100 13.085 16.599 63.409 1.00 17.78 C +ANISOU 880 CA THR A 100 2398 2169 2191 291 165 -192 C +ATOM 881 C THR A 100 12.960 15.527 62.351 1.00 16.19 C +ANISOU 881 C THR A 100 2151 1980 2021 298 124 -165 C +ATOM 882 O THR A 100 13.432 15.700 61.239 1.00 18.76 O +ANISOU 882 O THR A 100 2545 2228 2355 335 132 -153 O +ATOM 883 CB THR A 100 12.375 17.859 62.925 1.00 18.05 C +ANISOU 883 CB THR A 100 2518 2171 2171 422 194 -226 C +ATOM 884 OG1 THR A 100 12.478 18.848 63.948 1.00 19.15 O +ANISOU 884 OG1 THR A 100 2715 2289 2273 416 235 -255 O +ATOM 885 CG2 THR A 100 10.930 17.557 62.673 1.00 20.23 C +ANISOU 885 CG2 THR A 100 2719 2550 2419 509 164 -235 C +ATOM 886 N ILE A 101 12.331 14.421 62.706 1.00 12.59 N +ANISOU 886 N ILE A 101 1586 1621 1577 258 79 -156 N +ATOM 887 CA ILE A 101 12.153 13.313 61.776 1.00 12.35 C +ANISOU 887 CA ILE A 101 1520 1603 1569 252 36 -132 C +ATOM 888 C ILE A 101 10.703 13.266 61.349 1.00 21.18 C +ANISOU 888 C ILE A 101 2596 2807 2643 331 0 -145 C +ATOM 889 O ILE A 101 9.814 13.225 62.192 1.00 21.82 O +ANISOU 889 O ILE A 101 2600 2992 2700 332 -17 -154 O +ATOM 890 CB ILE A 101 12.565 11.985 62.430 1.00 18.93 C +ANISOU 890 CB ILE A 101 2268 2476 2447 135 8 -102 C +ATOM 891 CG1 ILE A 101 14.006 12.093 62.925 1.00 17.64 C +ANISOU 891 CG1 ILE A 101 2136 2242 2323 57 47 -76 C +ATOM 892 CG2 ILE A 101 12.386 10.816 61.460 1.00 23.53 C +ANISOU 892 CG2 ILE A 101 2836 3060 3046 127 -35 -80 C +ATOM 893 CD1 ILE A 101 14.500 10.897 63.652 1.00 14.99 C +ANISOU 893 CD1 ILE A 101 1719 1945 2033 -52 29 -40 C +ATOM 894 N THR A 102 10.453 13.297 60.044 1.00 25.75 N +ANISOU 894 N THR A 102 3222 3353 3209 397 -13 -141 N +ATOM 895 CA THR A 102 9.088 13.272 59.537 1.00 26.14 C +ANISOU 895 CA THR A 102 3230 3491 3212 469 -50 -142 C +ATOM 896 C THR A 102 8.891 12.117 58.572 1.00 28.73 C +ANISOU 896 C THR A 102 3541 3830 3546 436 -104 -119 C +ATOM 897 O THR A 102 9.690 11.926 57.664 1.00 25.73 O +ANISOU 897 O THR A 102 3234 3354 3188 431 -94 -112 O +ATOM 898 CB THR A 102 8.716 14.572 58.814 1.00 29.03 C +ANISOU 898 CB THR A 102 3673 3821 3537 596 -16 -158 C +ATOM 899 OG1 THR A 102 8.897 15.683 59.689 1.00 28.89 O +ANISOU 899 OG1 THR A 102 3692 3778 3505 630 37 -183 O +ATOM 900 CG2 THR A 102 7.258 14.528 58.363 1.00 32.48 C +ANISOU 900 CG2 THR A 102 4049 4369 3921 670 -55 -146 C +ATOM 901 N HIS A 103 7.846 11.327 58.803 1.00 31.60 N +ANISOU 901 N HIS A 103 3811 4311 3886 407 -162 -105 N +ATOM 902 CA HIS A 103 7.438 10.301 57.858 1.00 32.40 C +ANISOU 902 CA HIS A 103 3905 4432 3975 376 -221 -84 C +ATOM 903 C HIS A 103 5.949 10.026 57.982 1.00 36.87 C +ANISOU 903 C HIS A 103 4374 5149 4487 386 -279 -65 C +ATOM 904 O HIS A 103 5.503 9.336 58.905 1.00 39.41 O +ANISOU 904 O HIS A 103 4601 5564 4808 317 -315 -53 O +ATOM 905 CB HIS A 103 8.238 9.012 58.059 1.00 32.60 C +ANISOU 905 CB HIS A 103 3924 4415 4047 261 -240 -70 C +ATOM 906 CG HIS A 103 8.299 8.533 59.478 1.00 29.90 C +ANISOU 906 CG HIS A 103 3492 4136 3731 180 -247 -65 C +ATOM 907 ND1 HIS A 103 7.636 7.403 59.909 1.00 27.66 N +ANISOU 907 ND1 HIS A 103 3123 3946 3440 100 -310 -45 N +ATOM 908 CD2 HIS A 103 8.972 9.004 60.556 1.00 27.75 C +ANISOU 908 CD2 HIS A 103 3206 3847 3490 158 -202 -74 C +ATOM 909 CE1 HIS A 103 7.881 7.212 61.193 1.00 27.86 C +ANISOU 909 CE1 HIS A 103 3079 4012 3495 39 -302 -43 C +ATOM 910 NE2 HIS A 103 8.691 8.170 61.610 1.00 24.54 N +ANISOU 910 NE2 HIS A 103 2701 3527 3097 71 -236 -61 N +ATOM 911 N VAL A 104 5.177 10.579 57.057 1.00 40.43 N +ANISOU 911 N VAL A 104 4844 5630 4888 473 -289 -57 N +ATOM 912 CA VAL A 104 3.735 10.392 57.071 1.00 47.21 C +ANISOU 912 CA VAL A 104 5607 6643 5688 490 -344 -26 C +ATOM 913 C VAL A 104 3.267 9.765 55.770 1.00 55.62 C +ANISOU 913 C VAL A 104 6696 7720 6716 473 -403 0 C +ATOM 914 O VAL A 104 3.960 9.844 54.754 1.00 56.89 O +ANISOU 914 O VAL A 104 6960 7766 6892 489 -385 -13 O +ATOM 915 CB VAL A 104 2.986 11.718 57.283 1.00 50.28 C +ANISOU 915 CB VAL A 104 5975 7094 6035 621 -303 -25 C +ATOM 916 CG1 VAL A 104 3.340 12.316 58.627 1.00 51.58 C +ANISOU 916 CG1 VAL A 104 6122 7254 6221 633 -249 -52 C +ATOM 917 CG2 VAL A 104 3.308 12.694 56.166 1.00 53.04 C +ANISOU 917 CG2 VAL A 104 6432 7345 6376 722 -261 -37 C +ATOM 918 OXT VAL A 104 2.186 9.178 55.710 1.00 59.90 O +ANISOU 918 OXT VAL A 104 7157 8390 7210 438 -470 37 O +TER 919 VAL A 104 +HETATM 920 O HOH A 201 26.515 8.586 56.398 1.00 60.39 O +HETATM 921 O HOH A 202 23.605 4.160 53.849 1.00 53.31 O +HETATM 922 O HOH A 203 20.654 23.670 74.003 1.00 48.30 O +HETATM 923 O HOH A 204 10.269 17.796 73.411 1.00 56.44 O +HETATM 924 O HOH A 205 18.271 21.444 72.388 1.00 40.18 O +HETATM 925 O HOH A 206 26.992 26.178 62.787 1.00 61.64 O +HETATM 926 O HOH A 207 8.268 -5.937 50.352 1.00 39.47 O +HETATM 927 O HOH A 208 20.479 29.974 63.190 1.00 36.04 O +HETATM 928 O HOH A 209 12.492 4.427 69.210 1.00 56.55 O +HETATM 929 O HOH A 210 25.926 3.006 73.577 1.00 48.31 O +HETATM 930 O HOH A 211 21.703 0.462 57.345 1.00 41.31 O +HETATM 931 O HOH A 212 17.267 1.803 53.764 1.00 34.93 O +HETATM 932 O HOH A 213 9.358 6.259 64.225 1.00 39.90 O +HETATM 933 O HOH A 214 20.252 -2.309 70.408 1.00 37.33 O +HETATM 934 O HOH A 215 11.988 -0.332 69.945 1.00 41.38 O +HETATM 935 O HOH A 216 26.055 17.723 69.771 1.00 26.83 O +HETATM 936 O HOH A 217 13.613 -6.744 60.779 1.00 64.40 O +HETATM 937 O HOH A 218 19.861 15.317 79.077 1.00 29.09 O +HETATM 938 O HOH A 219 5.444 11.286 53.250 1.00 53.48 O +HETATM 939 O HOH A 220 31.311 1.288 56.425 1.00 41.73 O +HETATM 940 O HOH A 221 12.026 8.196 76.114 1.00 44.50 O +HETATM 941 O HOH A 222 22.059 23.701 61.282 1.00 29.14 O +HETATM 942 O HOH A 223 17.181 18.281 51.253 1.00 25.09 O +HETATM 943 O HOH A 224 7.759 10.895 53.201 1.00 42.49 O +HETATM 944 O HOH A 225 17.353 -7.674 67.987 1.00 29.37 O +HETATM 945 O HOH A 226 16.564 -6.022 59.106 1.00 41.20 O +HETATM 946 O HOH A 227 13.189 4.661 64.253 1.00 23.14 O +HETATM 947 O HOH A 228 11.466 16.447 59.429 1.00 22.63 O +HETATM 948 O HOH A 229 32.386 3.166 71.832 1.00 40.80 O +HETATM 949 O HOH A 230 26.054 10.730 57.086 1.00 24.66 O +HETATM 950 O HOH A 231 3.028 8.391 59.532 1.00 40.55 O +HETATM 951 O HOH A 232 27.515 26.166 64.832 1.00 49.88 O +HETATM 952 O HOH A 233 9.911 3.100 62.457 1.00 39.36 O +HETATM 953 O HOH A 234 12.260 15.875 52.463 1.00 42.03 O +HETATM 954 O HOH A 235 10.385 9.430 74.379 1.00 40.50 O +HETATM 955 O HOH A 236 35.052 11.970 73.557 1.00 38.36 O +HETATM 956 O HOH A 237 17.189 26.565 61.344 1.00 46.83 O +HETATM 957 O HOH A 238 23.181 20.938 71.620 1.00 26.45 O +HETATM 958 O HOH A 239 13.139 -4.722 54.537 1.00 43.51 O +HETATM 959 O HOH A 240 30.550 6.239 72.813 1.00 31.87 O +HETATM 960 O HOH A 241 13.358 26.283 62.530 1.00 51.95 O +HETATM 961 O HOH A 242 20.385 1.653 60.055 1.00 21.75 O +HETATM 962 O HOH A 243 3.865 14.080 71.874 1.00 46.77 O +HETATM 963 O HOH A 244 14.859 20.181 63.323 1.00 24.45 O +HETATM 964 O HOH A 245 21.931 -0.828 60.409 1.00 38.77 O +HETATM 965 O HOH A 246 31.521 25.175 63.658 1.00 55.93 O +HETATM 966 O HOH A 247 10.171 -2.817 49.903 1.00 29.88 O +HETATM 967 O HOH A 248 28.755 18.379 50.644 1.00 50.87 O +HETATM 968 O HOH A 249 7.061 8.264 54.193 1.00 43.13 O +HETATM 969 O HOH A 250 20.220 -1.218 62.063 1.00 31.41 O +HETATM 970 O HOH A 251 14.118 3.623 67.056 1.00 29.33 O +HETATM 971 O HOH A 252 17.873 17.041 48.944 1.00 34.12 O +HETATM 972 O HOH A 253 13.617 10.584 51.783 1.00 29.02 O +HETATM 973 O HOH A 254 10.456 3.910 65.211 1.00 53.18 O +HETATM 974 O HOH A 255 20.479 12.880 78.860 1.00 33.88 O +HETATM 975 O HOH A 256 24.438 6.587 52.027 1.00 50.85 O +HETATM 976 O HOH A 257 7.048 12.003 55.175 1.00 46.53 O +HETATM 977 O HOH A 258 15.039 22.773 61.473 1.00 59.12 O +HETATM 978 O HOH A 259 21.236 5.222 49.966 1.00 36.43 O +HETATM 979 O HOH A 260 12.303 10.147 47.003 1.00 51.80 O +HETATM 980 O HOH A 261 14.381 6.675 74.020 1.00 38.60 O +HETATM 981 O HOH A 262 14.701 22.257 64.071 1.00 65.91 O +HETATM 982 O HOH A 263 32.461 18.454 63.682 1.00 40.61 O +HETATM 983 O HOH A 264 29.176 24.462 63.588 1.00 62.46 O +HETATM 984 O HOH A 265 14.064 17.435 51.066 1.00 35.51 O +HETATM 985 O HOH A 266 22.881 4.464 51.273 1.00 58.14 O +HETATM 986 O HOH A 267 18.650 -2.707 54.160 1.00 50.07 O +HETATM 987 O HOH A 268 13.498 4.641 71.648 1.00 45.38 O +HETATM 988 O HOH A 269 8.858 2.238 65.614 1.00 50.32 O +MASTER 276 0 0 3 6 0 0 6 962 1 0 9 +END diff --git a/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/pdbs/6MRR.pdb b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/pdbs/6MRR.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2328ab86d7f27ae9bf5774ffe915c0b0d44ee0a8 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/PDB_monomers/pdbs/6MRR.pdb @@ -0,0 +1,2142 @@ +HEADER DE NOVO PROTEIN 15-OCT-18 6MRR +TITLE DE NOVO DESIGNED PROTEIN FOLDIT1 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: FOLDIT1; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; +SOURCE 3 ORGANISM_TAXID: 32630; +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS DE NOVO PROTEIN, FOLDIT +EXPDTA X-RAY DIFFRACTION +AUTHOR B.KOEPNICK,M.J.BICK,R.D.ESTEP,S.KLEINFELTER,L.WEI,D.BAKER +REVDAT 4 20-NOV-19 6MRR 1 REMARK +REVDAT 3 26-JUN-19 6MRR 1 JRNL +REVDAT 2 19-JUN-19 6MRR 1 JRNL +REVDAT 1 12-JUN-19 6MRR 0 +JRNL AUTH B.KOEPNICK,J.FLATTEN,T.HUSAIN,A.FORD,D.A.SILVA,M.J.BICK, +JRNL AUTH 2 A.BAUER,G.LIU,Y.ISHIDA,A.BOYKOV,R.D.ESTEP,S.KLEINFELTER, +JRNL AUTH 3 T.NORGARD-SOLANO,L.WEI,F.PLAYERS,G.T.MONTELIONE,F.DIMAIO, +JRNL AUTH 4 Z.POPOVIC,F.KHATIB,S.COOPER,D.BAKER +JRNL TITL DE NOVO PROTEIN DESIGN BY CITIZEN SCIENTISTS. +JRNL REF NATURE V. 570 390 2019 +JRNL REFN ESSN 1476-4687 +JRNL PMID 31168091 +JRNL DOI 10.1038/S41586-019-1274-4 +REMARK 2 +REMARK 2 RESOLUTION. 1.18 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX (DEV_3112: ???) +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.18 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.92 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 92.7 +REMARK 3 NUMBER OF REFLECTIONS : 18279 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.150 +REMARK 3 R VALUE (WORKING SET) : 0.146 +REMARK 3 FREE R VALUE : 0.182 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010 +REMARK 3 FREE R VALUE TEST SET COUNT : 1829 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 28.9244 - 2.7739 0.97 1364 153 0.1719 0.2144 +REMARK 3 2 2.7739 - 2.2020 0.96 1315 145 0.1598 0.1838 +REMARK 3 3 2.2020 - 1.9237 0.95 1300 145 0.1254 0.1402 +REMARK 3 4 1.9237 - 1.7479 0.95 1288 144 0.1409 0.1734 +REMARK 3 5 1.7479 - 1.6226 0.94 1280 141 0.1255 0.1625 +REMARK 3 6 1.6226 - 1.5269 0.94 1290 144 0.1242 0.1492 +REMARK 3 7 1.5269 - 1.4505 0.93 1243 137 0.1178 0.1563 +REMARK 3 8 1.4505 - 1.3873 0.92 1252 139 0.1232 0.1918 +REMARK 3 9 1.3873 - 1.3339 0.92 1237 139 0.1324 0.1737 +REMARK 3 10 1.3339 - 1.2879 0.91 1253 141 0.1315 0.1703 +REMARK 3 11 1.2879 - 1.2476 0.90 1219 135 0.1369 0.1953 +REMARK 3 12 1.2476 - 1.2120 0.88 1189 132 0.1289 0.2107 +REMARK 3 13 1.2120 - 1.1801 0.88 1220 134 0.1296 0.1712 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : NULL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : NULL +REMARK 3 B_SOL : NULL +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.080 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.420 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.008 582 +REMARK 3 ANGLE : 0.833 781 +REMARK 3 CHIRALITY : 0.075 86 +REMARK 3 PLANARITY : 0.004 102 +REMARK 3 DIHEDRAL : 18.886 232 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 6MRR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-OCT-18. +REMARK 100 THE DEPOSITION ID IS D_1000236328. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 30-APR-17 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ALS +REMARK 200 BEAMLINE : 5.0.2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.00000 +REMARK 200 MONOCHROMATOR : DOUBLE-CRYSTAL SI(111) +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : PIXEL +REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 6M +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS JUN 17, 2015 +REMARK 200 DATA SCALING SOFTWARE : XDS JUN 17, 2015 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22566 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.070 +REMARK 200 RESOLUTION RANGE LOW (A) : 43.580 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 85.3 +REMARK 200 DATA REDUNDANCY : 3.200 +REMARK 200 R MERGE (I) : 0.02600 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 18.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.07 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.09 +REMARK 200 COMPLETENESS FOR SHELL (%) : 32.8 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.17700 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 2.900 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER 2.8.2. +REMARK 200 STARTING MODEL: COMPUTATIONAL DESIGN GENERATED BY FOLDIT SOFTWARE +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 33.77 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M POTASSIUM CHLORIDE, 0.05 M +REMARK 280 HEPES, PH 7.5, 35% V/V PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH), +REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291.15K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 21.79200 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4720 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 GLU A 11 CD OE1 OE2 +REMARK 470 GLU A 43 CD OE1 OE2 +REMARK 470 GLU A 51 CD OE1 OE2 +REMARK 470 LYS A 55 CD CE NZ +REMARK 470 LYS A 58 CD CE NZ +REMARK 470 LYS A 59 CE NZ +REMARK 470 LYS A 66 CE NZ +REMARK 470 GLU A 68 CG CD OE1 OE2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 HH21 ARG A 47 O HOH A 102 1.55 +REMARK 500 O HOH A 113 O HOH A 178 1.85 +REMARK 500 O HOH A 112 O HOH A 169 1.97 +REMARK 500 O HOH A 104 O HOH A 135 2.04 +REMARK 500 OE1 GLU A 15 O HOH A 101 2.10 +REMARK 500 NH2 ARG A 47 O HOH A 102 2.14 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 O HOH A 168 O HOH A 202 1655 2.19 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 6MRR A 1 68 PDB 6MRR 6MRR 1 68 +SEQRES 1 A 68 GLY TRP SER THR GLU LEU GLU LYS HIS ARG GLU GLU LEU +SEQRES 2 A 68 LYS GLU PHE LEU LYS LYS GLU GLY ILE THR ASN VAL GLU +SEQRES 3 A 68 ILE ARG ILE ASP ASN GLY ARG LEU GLU VAL ARG VAL GLU +SEQRES 4 A 68 GLY GLY THR GLU ARG LEU LYS ARG PHE LEU GLU GLU LEU +SEQRES 5 A 68 ARG GLN LYS LEU GLU LYS LYS GLY TYR THR VAL ASP ILE +SEQRES 6 A 68 LYS ILE GLU +FORMUL 2 HOH *116(H2 O) +HELIX 1 AA1 SER A 3 GLY A 21 1 19 +HELIX 2 AA2 THR A 42 LYS A 59 1 18 +SHEET 1 AA1 3 VAL A 25 ASP A 30 0 +SHEET 2 AA1 3 ARG A 33 VAL A 38 -1 O GLU A 35 N ARG A 28 +SHEET 3 AA1 3 THR A 62 ILE A 67 1 O ASP A 64 N LEU A 34 +CRYST1 24.045 43.584 29.276 90.00 99.00 90.00 P 1 21 1 2 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.041589 0.000000 0.006586 0.00000 +SCALE2 0.000000 0.022944 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.034583 0.00000 +ATOM 1 N GLY A 1 -15.113 4.641 12.533 1.00 27.22 N +ANISOU 1 N GLY A 1 3555 3237 3550 -162 451 539 N +ATOM 2 CA GLY A 1 -15.455 3.353 11.854 1.00 28.17 C +ANISOU 2 CA GLY A 1 4001 3362 3341 165 535 294 C +ATOM 3 C GLY A 1 -14.525 3.068 10.696 1.00 27.96 C +ANISOU 3 C GLY A 1 4224 3376 3024 559 219 381 C +ATOM 4 O GLY A 1 -14.897 2.519 9.662 1.00 32.98 O +ANISOU 4 O GLY A 1 4911 4004 3617 662 286 164 O +ATOM 5 H1 GLY A 1 -15.758 4.853 13.108 1.00 32.67 H +ATOM 6 H2 GLY A 1 -14.343 4.550 12.971 1.00 32.67 H +ATOM 7 H3 GLY A 1 -15.033 5.285 11.924 1.00 32.67 H +ATOM 8 HA2 GLY A 1 -15.388 2.624 12.490 1.00 33.81 H +ATOM 9 HA3 GLY A 1 -16.363 3.397 11.517 1.00 33.81 H +ATOM 10 N TRP A 2 -13.275 3.420 10.930 1.00 22.10 N +ANISOU 10 N TRP A 2 3559 2510 2329 576 1223 682 N +ATOM 11 CA TRP A 2 -12.239 3.522 9.924 1.00 17.82 C +ANISOU 11 CA TRP A 2 3554 1697 1521 839 1047 330 C +ATOM 12 C TRP A 2 -11.128 2.581 10.337 1.00 14.37 C +ANISOU 12 C TRP A 2 3084 1326 1049 387 674 156 C +ATOM 13 O TRP A 2 -10.680 2.634 11.485 1.00 15.93 O +ANISOU 13 O TRP A 2 3613 1263 1178 259 752 52 O +ATOM 14 CB TRP A 2 -11.790 4.966 10.017 1.00 17.81 C +ANISOU 14 CB TRP A 2 3867 1479 1420 739 938 220 C +ATOM 15 CG TRP A 2 -10.916 5.383 8.993 1.00 18.71 C +ANISOU 15 CG TRP A 2 3949 1402 1759 159 1170 -147 C +ATOM 16 CD1 TRP A 2 -9.568 5.355 9.031 1.00 21.78 C +ANISOU 16 CD1 TRP A 2 4291 1368 2614 -54 733 -483 C +ATOM 17 CD2 TRP A 2 -11.286 5.937 7.730 1.00 19.76 C +ANISOU 17 CD2 TRP A 2 4315 1392 1802 -306 888 10 C +ATOM 18 NE1 TRP A 2 -9.061 5.845 7.864 1.00 20.71 N +ANISOU 18 NE1 TRP A 2 4359 1424 2086 -270 546 59 N +ATOM 19 CE2 TRP A 2 -10.096 6.225 7.049 1.00 19.92 C +ANISOU 19 CE2 TRP A 2 4177 1450 1943 -368 907 -60 C +ATOM 20 CE3 TRP A 2 -12.509 6.228 7.114 1.00 20.03 C +ANISOU 20 CE3 TRP A 2 4419 1584 1607 -327 895 120 C +ATOM 21 CZ2 TRP A 2 -10.083 6.769 5.768 1.00 19.94 C +ANISOU 21 CZ2 TRP A 2 4223 1773 1582 -557 926 73 C +ATOM 22 CZ3 TRP A 2 -12.496 6.781 5.846 1.00 21.85 C +ANISOU 22 CZ3 TRP A 2 4692 1883 1725 -383 690 160 C +ATOM 23 CH2 TRP A 2 -11.291 7.047 5.189 1.00 20.85 C +ANISOU 23 CH2 TRP A 2 4546 1870 1505 -376 778 203 C +ATOM 24 H TRP A 2 -12.987 3.617 11.716 1.00 26.53 H +ATOM 25 HA TRP A 2 -12.501 3.281 9.022 1.00 21.39 H +ATOM 26 HB2 TRP A 2 -12.575 5.535 9.980 1.00 21.37 H +ATOM 27 HB3 TRP A 2 -11.330 5.091 10.862 1.00 21.37 H +ATOM 28 HD1 TRP A 2 -9.060 5.046 9.747 1.00 26.13 H +ATOM 29 HE1 TRP A 2 -8.226 5.907 7.671 1.00 24.85 H +ATOM 30 HE3 TRP A 2 -13.313 6.052 7.548 1.00 24.04 H +ATOM 31 HZ2 TRP A 2 -9.284 6.937 5.323 1.00 23.94 H +ATOM 32 HZ3 TRP A 2 -13.301 6.980 5.425 1.00 26.22 H +ATOM 33 HH2 TRP A 2 -11.311 7.422 4.338 1.00 25.02 H +ATOM 34 N SER A 3 -10.741 1.675 9.445 1.00 13.84 N +ANISOU 34 N SER A 3 2689 1257 1311 356 447 -71 N +ATOM 35 CA SER A 3 -9.735 0.662 9.740 1.00 12.56 C +ANISOU 35 CA SER A 3 2295 1313 1164 324 190 -181 C +ATOM 36 C SER A 3 -8.423 1.057 9.074 1.00 13.48 C +ANISOU 36 C SER A 3 2247 1445 1429 310 164 -214 C +ATOM 37 O SER A 3 -8.304 0.991 7.855 1.00 11.86 O +ANISOU 37 O SER A 3 2037 1441 1029 232 205 -87 O +ATOM 38 CB SER A 3 -10.200 -0.692 9.213 1.00 13.32 C +ANISOU 38 CB SER A 3 2290 1400 1369 340 367 -45 C +ATOM 39 OG SER A 3 -9.128 -1.616 9.231 1.00 13.71 O +ANISOU 39 OG SER A 3 2413 1421 1376 384 565 84 O +ATOM 40 H SER A 3 -11.055 1.628 8.646 1.00 16.60 H +ATOM 41 HA SER A 3 -9.594 0.615 10.699 1.00 15.07 H +ATOM 42 HB2 SER A 3 -10.916 -1.024 9.776 1.00 15.98 H +ATOM 43 HB3 SER A 3 -10.515 -0.587 8.301 1.00 15.98 H +ATOM 44 HG SER A 3 -9.400 -2.375 8.996 1.00 16.45 H +ATOM 45 N THR A 4 -7.432 1.448 9.871 1.00 13.28 N +ANISOU 45 N THR A 4 2240 1660 1146 362 68 -459 N +ATOM 46 CA THR A 4 -6.128 1.800 9.322 1.00 15.49 C +ANISOU 46 CA THR A 4 2285 1831 1771 333 -165 -657 C +ATOM 47 C THR A 4 -5.594 0.705 8.401 1.00 12.25 C +ANISOU 47 C THR A 4 1839 1635 1182 377 -74 -52 C +ATOM 48 O THR A 4 -5.143 0.977 7.279 1.00 13.31 O +ANISOU 48 O THR A 4 1917 1428 1712 81 -69 -9 O +ATOM 49 CB THR A 4 -5.173 2.076 10.484 1.00 18.96 C +ANISOU 49 CB THR A 4 2458 2311 2434 362 -209 -918 C +ATOM 50 OG1 THR A 4 -5.658 3.206 11.221 1.00 22.30 O +ANISOU 50 OG1 THR A 4 2951 2633 2889 251 -439 -1323 O +ATOM 51 CG2 THR A 4 -3.774 2.328 9.971 1.00 20.18 C +ANISOU 51 CG2 THR A 4 2746 2528 2393 371 -282 -676 C +ATOM 52 H THR A 4 -7.486 1.517 10.727 1.00 15.94 H +ATOM 53 HA THR A 4 -6.201 2.604 8.783 1.00 18.60 H +ATOM 54 HB THR A 4 -5.127 1.309 11.076 1.00 22.75 H +ATOM 55 HG1 THR A 4 -5.167 3.345 11.889 1.00 26.76 H +ATOM 56 HG21 THR A 4 -3.254 2.798 10.642 1.00 24.22 H +ATOM 57 HG22 THR A 4 -3.338 1.486 9.768 1.00 24.22 H +ATOM 58 HG23 THR A 4 -3.808 2.868 9.165 1.00 24.22 H +ATOM 59 N GLU A 5 -5.644 -0.548 8.854 1.00 12.22 N +ANISOU 59 N GLU A 5 1901 1635 1106 386 20 105 N +ATOM 60 CA GLU A 5 -5.074 -1.624 8.054 1.00 12.49 C +ANISOU 60 CA GLU A 5 2084 1533 1129 597 319 325 C +ATOM 61 C GLU A 5 -5.884 -1.859 6.782 1.00 10.43 C +ANISOU 61 C GLU A 5 1813 1180 970 338 247 178 C +ATOM 62 O GLU A 5 -5.323 -1.971 5.685 1.00 10.52 O +ANISOU 62 O GLU A 5 1713 1286 998 175 232 118 O +ATOM 63 CB GLU A 5 -4.980 -2.908 8.881 1.00 17.22 C +ANISOU 63 CB GLU A 5 2684 2031 1828 871 679 607 C +ATOM 64 CG GLU A 5 -4.395 -4.075 8.113 1.00 21.68 C +ANISOU 64 CG GLU A 5 3057 2643 2537 833 291 269 C +ATOM 65 CD GLU A 5 -2.893 -3.969 7.921 1.00 26.74 C +ANISOU 65 CD GLU A 5 3608 3192 3360 485 557 -476 C +ATOM 66 OE1 GLU A 5 -2.273 -3.034 8.481 1.00 28.97 O +ANISOU 66 OE1 GLU A 5 3524 3409 4076 38 333 -674 O +ATOM 67 OE2 GLU A 5 -2.331 -4.830 7.211 1.00 27.07 O +ANISOU 67 OE2 GLU A 5 3689 3338 3258 788 852 -582 O +ATOM 68 H GLU A 5 -5.993 -0.794 9.601 1.00 14.66 H +ATOM 69 HA GLU A 5 -4.175 -1.371 7.793 1.00 14.99 H +ATOM 70 HB2 GLU A 5 -4.413 -2.743 9.651 1.00 20.67 H +ATOM 71 HB3 GLU A 5 -5.870 -3.159 9.173 1.00 20.67 H +ATOM 72 HG2 GLU A 5 -4.577 -4.895 8.599 1.00 26.02 H +ATOM 73 HG3 GLU A 5 -4.806 -4.112 7.235 1.00 26.02 H +ATOM 74 N LEU A 6 -7.205 -1.960 6.899 1.00 10.13 N +ANISOU 74 N LEU A 6 1784 1321 743 458 382 106 N +ATOM 75 CA LEU A 6 -7.991 -2.219 5.697 1.00 9.72 C +ANISOU 75 CA LEU A 6 1682 1203 808 336 279 -29 C +ATOM 76 C LEU A 6 -7.943 -1.043 4.732 1.00 9.72 C +ANISOU 76 C LEU A 6 1719 1120 855 243 112 28 C +ATOM 77 O LEU A 6 -8.000 -1.245 3.513 1.00 9.94 O +ANISOU 77 O LEU A 6 1979 1117 682 75 193 14 O +ATOM 78 CB LEU A 6 -9.418 -2.631 6.037 1.00 10.58 C +ANISOU 78 CB LEU A 6 1782 1192 1044 309 251 92 C +ATOM 79 CG LEU A 6 -9.549 -4.001 6.711 1.00 10.74 C +ANISOU 79 CG LEU A 6 1880 1017 1183 116 278 213 C +ATOM 80 CD1 LEU A 6 -11.017 -4.241 7.025 1.00 12.07 C +ANISOU 80 CD1 LEU A 6 2037 1160 1388 -69 352 191 C +ATOM 81 CD2 LEU A 6 -8.985 -5.104 5.858 1.00 11.62 C +ANISOU 81 CD2 LEU A 6 2344 846 1224 -55 351 73 C +ATOM 82 H LEU A 6 -7.654 -1.886 7.629 1.00 12.16 H +ATOM 83 HA LEU A 6 -7.606 -2.981 5.236 1.00 11.67 H +ATOM 84 HB2 LEU A 6 -9.792 -1.971 6.641 1.00 12.69 H +ATOM 85 HB3 LEU A 6 -9.933 -2.660 5.216 1.00 12.69 H +ATOM 86 HG LEU A 6 -9.035 -4.014 7.534 1.00 12.89 H +ATOM 87 HD11 LEU A 6 -11.107 -5.094 7.478 1.00 14.48 H +ATOM 88 HD12 LEU A 6 -11.338 -3.527 7.597 1.00 14.48 H +ATOM 89 HD13 LEU A 6 -11.519 -4.252 6.195 1.00 14.48 H +ATOM 90 HD21 LEU A 6 -9.263 -5.959 6.222 1.00 13.94 H +ATOM 91 HD22 LEU A 6 -9.319 -5.005 4.953 1.00 13.94 H +ATOM 92 HD23 LEU A 6 -8.017 -5.042 5.861 1.00 13.94 H +ATOM 93 N GLU A 7 -7.793 0.183 5.237 1.00 10.13 N +ANISOU 93 N GLU A 7 1889 1180 779 200 62 -91 N +ATOM 94 CA GLU A 7 -7.623 1.317 4.337 1.00 11.17 C +ANISOU 94 CA GLU A 7 2238 1102 903 269 -112 -53 C +ATOM 95 C GLU A 7 -6.325 1.210 3.548 1.00 10.11 C +ANISOU 95 C GLU A 7 1906 966 971 129 -82 87 C +ATOM 96 O GLU A 7 -6.273 1.603 2.377 1.00 11.22 O +ANISOU 96 O GLU A 7 2073 1133 1059 241 31 168 O +ATOM 97 CB GLU A 7 -7.670 2.623 5.119 1.00 13.04 C +ANISOU 97 CB GLU A 7 2861 1310 785 525 -14 -67 C +ATOM 98 CG GLU A 7 -9.062 2.972 5.609 1.00 15.43 C +ANISOU 98 CG GLU A 7 3344 1560 959 926 -143 8 C +ATOM 99 CD GLU A 7 -9.986 3.454 4.500 1.00 17.82 C +ANISOU 99 CD GLU A 7 3681 1953 1136 1139 298 50 C +ATOM 100 OE1 GLU A 7 -9.513 4.078 3.516 1.00 19.66 O +ANISOU 100 OE1 GLU A 7 3534 2595 1341 1743 440 358 O +ATOM 101 OE2 GLU A 7 -11.206 3.209 4.625 1.00 18.76 O +ANISOU 101 OE2 GLU A 7 3936 1659 1532 591 -641 -76 O +ATOM 102 H GLU A 7 -7.786 0.380 6.075 1.00 12.16 H +ATOM 103 HA GLU A 7 -8.358 1.321 3.704 1.00 13.40 H +ATOM 104 HB2 GLU A 7 -7.091 2.547 5.894 1.00 15.65 H +ATOM 105 HB3 GLU A 7 -7.365 3.344 4.546 1.00 15.65 H +ATOM 106 HG2 GLU A 7 -9.461 2.183 6.007 1.00 18.52 H +ATOM 107 HG3 GLU A 7 -8.994 3.679 6.269 1.00 18.52 H +ATOM 108 N LYS A 8 -5.260 0.685 4.162 1.00 10.27 N +ANISOU 108 N LYS A 8 1907 1058 937 86 -59 20 N +ATOM 109 CA LYS A 8 -4.025 0.475 3.411 1.00 12.10 C +ANISOU 109 CA LYS A 8 2164 1220 1215 -187 -133 258 C +ATOM 110 C LYS A 8 -4.256 -0.489 2.257 1.00 10.95 C +ANISOU 110 C LYS A 8 1877 1030 1253 69 -83 208 C +ATOM 111 O LYS A 8 -3.814 -0.247 1.129 1.00 11.75 O +ANISOU 111 O LYS A 8 1764 1283 1417 -148 -56 264 O +ATOM 112 CB LYS A 8 -2.920 -0.042 4.333 1.00 13.71 C +ANISOU 112 CB LYS A 8 2186 1675 1347 -159 -269 152 C +ATOM 113 CG LYS A 8 -1.597 -0.271 3.611 1.00 16.48 C +ANISOU 113 CG LYS A 8 2089 2105 2069 162 -131 -63 C +ATOM 114 CD LYS A 8 -0.494 -0.731 4.541 1.00 21.46 C +ANISOU 114 CD LYS A 8 2440 2454 3261 251 -396 -45 C +ATOM 115 CE LYS A 8 -0.767 -2.114 5.082 1.00 24.01 C +ANISOU 115 CE LYS A 8 2583 2757 3782 193 -276 213 C +ATOM 116 NZ LYS A 8 0.424 -2.653 5.793 1.00 26.07 N +ANISOU 116 NZ LYS A 8 2914 3029 3964 72 -73 453 N +ATOM 117 H LYS A 8 -5.227 0.448 4.988 1.00 12.33 H +ATOM 118 HA LYS A 8 -3.730 1.325 3.048 1.00 14.53 H +ATOM 119 HB2 LYS A 8 -2.768 0.608 5.037 1.00 16.45 H +ATOM 120 HB3 LYS A 8 -3.201 -0.887 4.717 1.00 16.45 H +ATOM 121 HG2 LYS A 8 -1.720 -0.953 2.932 1.00 19.78 H +ATOM 122 HG3 LYS A 8 -1.313 0.560 3.198 1.00 19.78 H +ATOM 123 HD2 LYS A 8 0.346 -0.753 4.057 1.00 25.76 H +ATOM 124 HD3 LYS A 8 -0.430 -0.118 5.290 1.00 25.76 H +ATOM 125 HE2 LYS A 8 -1.507 -2.075 5.708 1.00 28.81 H +ATOM 126 HE3 LYS A 8 -0.983 -2.710 4.348 1.00 28.81 H +ATOM 127 HZ1 LYS A 8 0.238 -3.454 6.133 1.00 31.29 H +ATOM 128 HZ2 LYS A 8 1.107 -2.730 5.228 1.00 31.29 H +ATOM 129 HZ3 LYS A 8 0.657 -2.105 6.455 1.00 31.29 H +ATOM 130 N HIS A 9 -4.958 -1.588 2.516 1.00 10.08 N +ANISOU 130 N HIS A 9 1785 827 1219 47 197 201 N +ATOM 131 CA HIS A 9 -5.233 -2.549 1.457 1.00 10.07 C +ANISOU 131 CA HIS A 9 1617 999 1212 92 42 30 C +ATOM 132 C HIS A 9 -6.223 -2.003 0.447 1.00 8.89 C +ANISOU 132 C HIS A 9 1438 943 997 90 68 65 C +ATOM 133 O HIS A 9 -6.118 -2.310 -0.740 1.00 10.04 O +ANISOU 133 O HIS A 9 1798 1122 896 129 257 -88 O +ATOM 134 CB HIS A 9 -5.708 -3.861 2.059 1.00 11.95 C +ANISOU 134 CB HIS A 9 2006 975 1560 109 149 -18 C +ATOM 135 CG HIS A 9 -4.662 -4.514 2.890 1.00 13.02 C +ANISOU 135 CG HIS A 9 1944 1228 1774 412 -105 50 C +ATOM 136 ND1 HIS A 9 -3.620 -5.232 2.346 1.00 17.20 N +ANISOU 136 ND1 HIS A 9 2016 1821 2698 706 107 287 N +ATOM 137 CD2 HIS A 9 -4.469 -4.523 4.227 1.00 14.25 C +ANISOU 137 CD2 HIS A 9 2226 1463 1725 420 -96 -153 C +ATOM 138 CE1 HIS A 9 -2.842 -5.673 3.318 1.00 19.35 C +ANISOU 138 CE1 HIS A 9 2534 1996 2823 941 -299 500 C +ATOM 139 NE2 HIS A 9 -3.332 -5.249 4.468 1.00 19.06 N +ANISOU 139 NE2 HIS A 9 2758 1817 2667 576 -472 106 N +ATOM 140 H HIS A 9 -5.281 -1.799 3.284 1.00 12.10 H +ATOM 141 HA HIS A 9 -4.414 -2.736 0.973 1.00 12.09 H +ATOM 142 HB2 HIS A 9 -6.478 -3.691 2.623 1.00 14.34 H +ATOM 143 HB3 HIS A 9 -5.949 -4.470 1.343 1.00 14.34 H +ATOM 144 HD2 HIS A 9 -5.008 -4.113 4.865 1.00 17.10 H +ATOM 145 HE1 HIS A 9 -2.079 -6.193 3.210 1.00 23.22 H +ATOM 146 HE2 HIS A 9 -2.992 -5.404 5.243 1.00 22.87 H +ATOM 147 N ARG A 10 -7.177 -1.190 0.885 1.00 9.53 N +ANISOU 147 N ARG A 10 1616 1108 899 242 237 43 N +ATOM 148 CA ARG A 10 -8.065 -0.527 -0.059 1.00 9.72 C +ANISOU 148 CA ARG A 10 1676 1121 896 270 203 135 C +ATOM 149 C ARG A 10 -7.273 0.337 -1.032 1.00 9.67 C +ANISOU 149 C ARG A 10 1694 1112 870 227 138 5 C +ATOM 150 O ARG A 10 -7.536 0.331 -2.241 1.00 10.33 O +ANISOU 150 O ARG A 10 1674 1274 979 200 245 34 O +ATOM 151 CB ARG A 10 -9.054 0.339 0.710 1.00 9.77 C +ANISOU 151 CB ARG A 10 1534 1176 1002 222 127 99 C +ATOM 152 CG ARG A 10 -10.175 0.920 -0.144 1.00 9.73 C +ANISOU 152 CG ARG A 10 1580 1367 748 269 253 -47 C +ATOM 153 CD ARG A 10 -10.927 2.017 0.630 1.00 11.45 C +ANISOU 153 CD ARG A 10 1670 1474 1204 299 124 77 C +ATOM 154 NE ARG A 10 -12.240 2.323 0.059 1.00 10.87 N +ANISOU 154 NE ARG A 10 1696 1269 1166 206 354 148 N +ATOM 155 CZ ARG A 10 -12.483 3.229 -0.879 1.00 11.93 C +ANISOU 155 CZ ARG A 10 1791 1376 1367 315 481 40 C +ATOM 156 NH1 ARG A 10 -11.504 3.943 -1.402 1.00 11.99 N +ANISOU 156 NH1 ARG A 10 1855 1419 1282 180 404 35 N +ATOM 157 NH2 ARG A 10 -13.726 3.389 -1.306 1.00 12.51 N +ANISOU 157 NH2 ARG A 10 1892 1538 1323 105 75 253 N +ATOM 158 H ARG A 10 -7.331 -1.006 1.711 1.00 11.44 H +ATOM 159 HA ARG A 10 -8.554 -1.194 -0.566 1.00 11.67 H +ATOM 160 HB2 ARG A 10 -9.463 -0.200 1.405 1.00 11.73 H +ATOM 161 HB3 ARG A 10 -8.572 1.082 1.107 1.00 11.73 H +ATOM 162 HG2 ARG A 10 -9.801 1.311 -0.950 1.00 11.67 H +ATOM 163 HG3 ARG A 10 -10.804 0.219 -0.377 1.00 11.67 H +ATOM 164 HD2 ARG A 10 -11.060 1.722 1.544 1.00 13.74 H +ATOM 165 HD3 ARG A 10 -10.398 2.830 0.617 1.00 13.74 H +ATOM 166 HE ARG A 10 -12.912 1.876 0.357 1.00 13.05 H +ATOM 167 HH11 ARG A 10 -10.695 3.824 -1.135 1.00 14.39 H +ATOM 168 HH12 ARG A 10 -11.675 4.528 -2.009 1.00 14.39 H +ATOM 169 HH21 ARG A 10 -14.359 2.909 -0.976 1.00 15.01 H +ATOM 170 HH22 ARG A 10 -13.901 3.972 -1.913 1.00 15.01 H +ATOM 171 N GLU A 11 -6.291 1.085 -0.528 1.00 10.01 N +ANISOU 171 N GLU A 11 1859 1136 809 -50 126 42 N +ATOM 172 CA GLU A 11 -5.465 1.902 -1.408 1.00 11.02 C +ANISOU 172 CA GLU A 11 1711 1144 1332 -52 198 -73 C +ATOM 173 C GLU A 11 -4.696 1.044 -2.401 1.00 10.10 C +ANISOU 173 C GLU A 11 1318 1208 1312 -10 142 -33 C +ATOM 174 O GLU A 11 -4.583 1.398 -3.577 1.00 11.33 O +ANISOU 174 O GLU A 11 1745 1425 1136 -43 227 188 O +ATOM 175 CB GLU A 11 -4.513 2.746 -0.566 1.00 14.70 C +ANISOU 175 CB GLU A 11 2402 1468 1716 -124 364 -417 C +ATOM 176 CG GLU A 11 -3.574 3.630 -1.357 1.00 21.21 C +ANISOU 176 CG GLU A 11 3399 1995 2665 -263 357 59 C +ATOM 177 H GLU A 11 -6.085 1.137 0.306 1.00 12.01 H +ATOM 178 HA GLU A 11 -6.033 2.499 -1.920 1.00 13.22 H +ATOM 179 HB2 GLU A 11 -5.041 3.322 0.009 1.00 17.64 H +ATOM 180 HB3 GLU A 11 -3.968 2.150 -0.029 1.00 17.64 H +ATOM 181 HG2 GLU A 11 -2.993 3.077 -1.903 1.00 25.46 H +ATOM 182 HG3 GLU A 11 -4.095 4.225 -1.918 1.00 25.46 H +ATOM 183 N GLU A 12 -4.142 -0.079 -1.945 1.00 9.95 N +ANISOU 183 N GLU A 12 1406 1352 1023 93 117 -9 N +ATOM 184 CA GLU A 12 -3.396 -0.941 -2.853 1.00 11.29 C +ANISOU 184 CA GLU A 12 1472 1438 1380 26 15 -63 C +ATOM 185 C GLU A 12 -4.311 -1.534 -3.911 1.00 9.89 C +ANISOU 185 C GLU A 12 1335 1251 1173 167 61 22 C +ATOM 186 O GLU A 12 -3.940 -1.609 -5.083 1.00 10.24 O +ANISOU 186 O GLU A 12 1420 1391 1077 79 323 29 O +ATOM 187 CB GLU A 12 -2.693 -2.041 -2.060 1.00 12.83 C +ANISOU 187 CB GLU A 12 1531 1690 1653 258 -63 -7 C +ATOM 188 CG GLU A 12 -1.572 -1.526 -1.166 1.00 16.91 C +ANISOU 188 CG GLU A 12 1857 2215 2353 110 -75 26 C +ATOM 189 CD GLU A 12 -0.782 -2.632 -0.480 1.00 22.43 C +ANISOU 189 CD GLU A 12 2654 2579 3289 -16 -461 -170 C +ATOM 190 OE1 GLU A 12 -0.941 -3.814 -0.852 1.00 25.62 O +ANISOU 190 OE1 GLU A 12 2865 2711 4159 9 -342 -122 O +ATOM 191 OE2 GLU A 12 0.005 -2.307 0.436 1.00 24.79 O +ANISOU 191 OE2 GLU A 12 3166 2837 3417 -36 -942 -140 O +ATOM 192 H GLU A 12 -4.182 -0.359 -1.132 1.00 11.95 H +ATOM 193 HA GLU A 12 -2.715 -0.419 -3.306 1.00 13.55 H +ATOM 194 HB2 GLU A 12 -3.344 -2.484 -1.494 1.00 15.40 H +ATOM 195 HB3 GLU A 12 -2.307 -2.678 -2.683 1.00 15.40 H +ATOM 196 HG2 GLU A 12 -0.953 -1.012 -1.707 1.00 20.29 H +ATOM 197 HG3 GLU A 12 -1.956 -0.964 -0.476 1.00 20.29 H +ATOM 198 N LEU A 13 -5.518 -1.938 -3.517 1.00 8.96 N +ANISOU 198 N LEU A 13 1257 1214 932 59 134 -13 N +ATOM 199 CA LEU A 13 -6.467 -2.459 -4.490 1.00 9.48 C +ANISOU 199 CA LEU A 13 1387 1072 1145 -51 339 20 C +ATOM 200 C LEU A 13 -6.855 -1.387 -5.493 1.00 9.36 C +ANISOU 200 C LEU A 13 1492 1168 895 -138 275 -50 C +ATOM 201 O LEU A 13 -6.892 -1.646 -6.703 1.00 9.71 O +ANISOU 201 O LEU A 13 1548 1170 970 -221 241 -65 O +ATOM 202 CB LEU A 13 -7.699 -3.014 -3.780 1.00 9.85 C +ANISOU 202 CB LEU A 13 1511 1102 1128 64 258 18 C +ATOM 203 CG LEU A 13 -8.836 -3.501 -4.690 1.00 10.55 C +ANISOU 203 CG LEU A 13 1379 1310 1321 -70 179 189 C +ATOM 204 CD1 LEU A 13 -8.406 -4.559 -5.712 1.00 11.30 C +ANISOU 204 CD1 LEU A 13 1572 1403 1319 -138 268 -66 C +ATOM 205 CD2 LEU A 13 -9.983 -4.024 -3.824 1.00 11.25 C +ANISOU 205 CD2 LEU A 13 1524 1430 1319 -127 290 206 C +ATOM 206 H LEU A 13 -5.807 -1.922 -2.707 1.00 10.75 H +ATOM 207 HA LEU A 13 -6.055 -3.191 -4.976 1.00 11.38 H +ATOM 208 HB2 LEU A 13 -7.421 -3.769 -3.237 1.00 11.82 H +ATOM 209 HB3 LEU A 13 -8.062 -2.315 -3.214 1.00 11.82 H +ATOM 210 HG LEU A 13 -9.132 -2.745 -5.219 1.00 12.67 H +ATOM 211 HD11 LEU A 13 -9.186 -4.854 -6.208 1.00 13.57 H +ATOM 212 HD12 LEU A 13 -7.758 -4.167 -6.318 1.00 13.57 H +ATOM 213 HD13 LEU A 13 -8.009 -5.309 -5.243 1.00 13.57 H +ATOM 214 HD21 LEU A 13 -10.703 -4.324 -4.400 1.00 13.50 H +ATOM 215 HD22 LEU A 13 -9.661 -4.763 -3.285 1.00 13.50 H +ATOM 216 HD23 LEU A 13 -10.296 -3.308 -3.249 1.00 13.50 H +ATOM 217 N ALYS A 14 -7.137 -0.170 -5.019 0.81 9.32 N +ANISOU 217 N ALYS A 14 1609 1225 705 -115 69 -30 N +ATOM 218 N BLYS A 14 -7.130 -0.168 -5.028 0.19 10.31 N +ANISOU 218 N BLYS A 14 1625 1323 971 -121 98 4 N +ATOM 219 CA ALYS A 14 -7.527 0.902 -5.927 0.81 9.07 C +ANISOU 219 CA ALYS A 14 1501 1073 872 71 238 -132 C +ATOM 220 CA BLYS A 14 -7.539 0.884 -5.952 0.19 12.21 C +ANISOU 220 CA BLYS A 14 1834 1445 1360 34 181 112 C +ATOM 221 C ALYS A 14 -6.396 1.250 -6.885 0.81 8.75 C +ANISOU 221 C ALYS A 14 1485 971 869 -127 271 -129 C +ATOM 222 C BLYS A 14 -6.400 1.314 -6.870 0.19 10.32 C +ANISOU 222 C BLYS A 14 1658 1168 1094 -67 230 56 C +ATOM 223 O ALYS A 14 -6.638 1.550 -8.059 0.81 9.21 O +ANISOU 223 O ALYS A 14 1813 969 718 13 116 -58 O +ATOM 224 O BLYS A 14 -6.650 1.741 -8.002 0.19 10.19 O +ANISOU 224 O BLYS A 14 1832 1075 965 -55 191 127 O +ATOM 225 CB ALYS A 14 -7.949 2.140 -5.138 0.81 14.81 C +ANISOU 225 CB ALYS A 14 2133 1697 1798 547 1025 669 C +ATOM 226 CB BLYS A 14 -8.115 2.074 -5.185 0.19 17.60 C +ANISOU 226 CB BLYS A 14 2525 2014 2148 276 435 411 C +ATOM 227 CG ALYS A 14 -9.256 1.990 -4.382 0.81 20.98 C +ANISOU 227 CG ALYS A 14 2841 2455 2675 178 683 868 C +ATOM 228 CG BLYS A 14 -9.516 1.811 -4.649 0.19 22.37 C +ANISOU 228 CG BLYS A 14 3023 2612 2866 149 393 371 C +ATOM 229 CD ALYS A 14 -10.478 2.118 -5.276 0.81 24.38 C +ANISOU 229 CD ALYS A 14 3236 2868 3157 -180 426 432 C +ATOM 230 CD BLYS A 14 -10.218 3.085 -4.187 0.19 25.66 C +ANISOU 230 CD BLYS A 14 3470 3001 3277 9 221 82 C +ATOM 231 CE ALYS A 14 -10.780 3.569 -5.612 0.81 27.40 C +ANISOU 231 CE ALYS A 14 3665 3047 3697 -208 139 145 C +ATOM 232 CE BLYS A 14 -10.601 3.999 -5.350 0.19 27.38 C +ANISOU 232 CE BLYS A 14 3642 3162 3600 41 134 38 C +ATOM 233 NZ ALYS A 14 -12.010 3.687 -6.434 0.81 28.45 N +ANISOU 233 NZ ALYS A 14 3862 3014 3933 -98 -195 21 N +ATOM 234 NZ BLYS A 14 -11.757 3.488 -6.139 0.19 27.77 N +ANISOU 234 NZ BLYS A 14 3691 3205 3657 114 -79 102 N +ATOM 235 H ALYS A 14 -7.110 0.057 -4.190 0.81 11.18 H +ATOM 236 H BLYS A 14 -7.089 0.071 -4.203 0.19 12.38 H +ATOM 237 HA ALYS A 14 -8.289 0.602 -6.447 0.81 10.88 H +ATOM 238 HA BLYS A 14 -8.247 0.540 -6.519 0.19 14.65 H +ATOM 239 HB2ALYS A 14 -7.257 2.344 -4.490 0.81 17.78 H +ATOM 240 HB2BLYS A 14 -7.538 2.272 -4.431 0.19 21.12 H +ATOM 241 HB3ALYS A 14 -8.053 2.880 -5.757 0.81 17.78 H +ATOM 242 HB3BLYS A 14 -8.160 2.840 -5.779 0.19 21.12 H +ATOM 243 HG2ALYS A 14 -9.281 1.114 -3.966 0.81 25.18 H +ATOM 244 HG2BLYS A 14 -10.054 1.410 -5.350 0.19 26.85 H +ATOM 245 HG3ALYS A 14 -9.309 2.681 -3.703 0.81 25.18 H +ATOM 246 HG3BLYS A 14 -9.458 1.209 -3.891 0.19 26.85 H +ATOM 247 HD2ALYS A 14 -10.320 1.640 -6.106 0.81 29.25 H +ATOM 248 HD2BLYS A 14 -11.030 2.845 -3.713 0.19 30.79 H +ATOM 249 HD3ALYS A 14 -11.249 1.745 -4.820 0.81 29.25 H +ATOM 250 HD3BLYS A 14 -9.625 3.578 -3.599 0.19 30.79 H +ATOM 251 HE2ALYS A 14 -10.911 4.069 -4.792 0.81 32.88 H +ATOM 252 HE2BLYS A 14 -10.841 4.871 -4.999 0.19 32.86 H +ATOM 253 HE3ALYS A 14 -10.039 3.944 -6.115 0.81 32.88 H +ATOM 254 HE3BLYS A 14 -9.843 4.080 -5.949 0.19 32.86 H +ATOM 255 HZ1ALYS A 14 -11.821 3.525 -7.289 0.81 34.14 H +ATOM 256 HZ1BLYS A 14 -11.901 4.014 -6.843 0.19 33.33 H +ATOM 257 HZ2ALYS A 14 -12.619 3.100 -6.156 0.81 34.14 H +ATOM 258 HZ2BLYS A 14 -11.590 2.662 -6.425 0.19 33.33 H +ATOM 259 HZ3ALYS A 14 -12.346 4.508 -6.363 0.81 34.14 H +ATOM 260 HZ3BLYS A 14 -12.490 3.477 -5.634 0.19 33.33 H +ATOM 261 N GLU A 15 -5.151 1.232 -6.404 1.00 9.32 N +ANISOU 261 N GLU A 15 1508 1135 897 -88 228 51 N +ATOM 262 CA GLU A 15 -4.022 1.506 -7.283 1.00 10.63 C +ANISOU 262 CA GLU A 15 1662 1249 1128 -84 419 -55 C +ATOM 263 C GLU A 15 -3.907 0.448 -8.373 1.00 10.10 C +ANISOU 263 C GLU A 15 1497 1231 1108 -40 373 24 C +ATOM 264 O GLU A 15 -3.651 0.780 -9.537 1.00 10.45 O +ANISOU 264 O GLU A 15 1639 1316 1014 -213 357 -59 O +ATOM 265 CB GLU A 15 -2.738 1.588 -6.465 1.00 12.53 C +ANISOU 265 CB GLU A 15 1656 1552 1552 -205 297 156 C +ATOM 266 CG GLU A 15 -1.516 2.014 -7.251 1.00 18.49 C +ANISOU 266 CG GLU A 15 2535 2244 2246 -220 765 7 C +ATOM 267 CD GLU A 15 -1.579 3.471 -7.697 1.00 26.13 C +ANISOU 267 CD GLU A 15 3710 2812 3406 -234 1374 112 C +ATOM 268 OE1 GLU A 15 -0.946 3.812 -8.720 1.00 32.09 O +ANISOU 268 OE1 GLU A 15 4558 3311 4323 16 1119 227 O +ATOM 269 OE2 GLU A 15 -2.267 4.275 -7.033 1.00 29.90 O +ANISOU 269 OE2 GLU A 15 4171 2821 4369 -429 937 -207 O +ATOM 270 H GLU A 15 -4.938 1.067 -5.588 1.00 11.18 H +ATOM 271 HA GLU A 15 -4.155 2.364 -7.716 1.00 12.76 H +ATOM 272 HB2 GLU A 15 -2.867 2.233 -5.752 1.00 15.03 H +ATOM 273 HB3 GLU A 15 -2.554 0.712 -6.090 1.00 15.03 H +ATOM 274 HG2 GLU A 15 -0.728 1.905 -6.695 1.00 22.19 H +ATOM 275 HG3 GLU A 15 -1.442 1.461 -8.044 1.00 22.19 H +ATOM 276 N PHE A 16 -4.087 -0.835 -8.020 1.00 10.10 N +ANISOU 276 N PHE A 16 1474 1197 1166 110 259 -5 N +ATOM 277 CA PHE A 16 -4.098 -1.901 -9.020 1.00 10.05 C +ANISOU 277 CA PHE A 16 1668 1077 1075 145 374 92 C +ATOM 278 C PHE A 16 -5.226 -1.690 -10.026 1.00 9.41 C +ANISOU 278 C PHE A 16 1820 839 916 8 380 -42 C +ATOM 279 O PHE A 16 -5.010 -1.776 -11.239 1.00 10.08 O +ANISOU 279 O PHE A 16 1841 971 1019 94 393 -106 O +ATOM 280 CB PHE A 16 -4.227 -3.255 -8.320 1.00 10.77 C +ANISOU 280 CB PHE A 16 1857 1117 1119 233 446 167 C +ATOM 281 CG PHE A 16 -4.351 -4.399 -9.265 1.00 10.72 C +ANISOU 281 CG PHE A 16 1906 1009 1158 207 288 82 C +ATOM 282 CD1 PHE A 16 -3.235 -4.910 -9.916 1.00 12.52 C +ANISOU 282 CD1 PHE A 16 2133 1253 1370 215 402 70 C +ATOM 283 CD2 PHE A 16 -5.586 -4.960 -9.534 1.00 11.12 C +ANISOU 283 CD2 PHE A 16 1799 1039 1386 -96 269 149 C +ATOM 284 CE1 PHE A 16 -3.355 -5.967 -10.785 1.00 13.88 C +ANISOU 284 CE1 PHE A 16 2739 1180 1355 294 529 154 C +ATOM 285 CE2 PHE A 16 -5.699 -6.012 -10.408 1.00 13.18 C +ANISOU 285 CE2 PHE A 16 2286 1126 1596 -164 428 269 C +ATOM 286 CZ PHE A 16 -4.583 -6.506 -11.037 1.00 14.21 C +ANISOU 286 CZ PHE A 16 2895 1066 1438 42 432 258 C +ATOM 287 H PHE A 16 -4.203 -1.109 -7.214 1.00 12.12 H +ATOM 288 HA PHE A 16 -3.262 -1.894 -9.511 1.00 12.07 H +ATOM 289 HB2 PHE A 16 -3.438 -3.402 -7.776 1.00 12.93 H +ATOM 290 HB3 PHE A 16 -5.019 -3.244 -7.761 1.00 12.93 H +ATOM 291 HD1 PHE A 16 -2.399 -4.532 -9.763 1.00 15.02 H +ATOM 292 HD2 PHE A 16 -6.347 -4.621 -9.120 1.00 13.34 H +ATOM 293 HE1 PHE A 16 -2.599 -6.316 -11.202 1.00 16.66 H +ATOM 294 HE2 PHE A 16 -6.532 -6.392 -10.574 1.00 15.82 H +ATOM 295 HZ PHE A 16 -4.665 -7.211 -11.637 1.00 17.05 H +ATOM 296 N LEU A 17 -6.444 -1.411 -9.542 1.00 9.02 N +ANISOU 296 N LEU A 17 1532 1014 882 163 266 88 N +ATOM 297 CA LEU A 17 -7.565 -1.214 -10.455 1.00 9.03 C +ANISOU 297 CA LEU A 17 1433 985 1015 24 260 20 C +ATOM 298 C LEU A 17 -7.297 -0.052 -11.400 1.00 9.44 C +ANISOU 298 C LEU A 17 1507 1010 1069 55 271 126 C +ATOM 299 O LEU A 17 -7.634 -0.111 -12.591 1.00 9.98 O +ANISOU 299 O LEU A 17 1729 1184 880 -37 233 85 O +ATOM 300 CB LEU A 17 -8.858 -0.974 -9.682 1.00 9.03 C +ANISOU 300 CB LEU A 17 1473 1008 950 -173 52 28 C +ATOM 301 CG LEU A 17 -9.301 -2.127 -8.789 1.00 10.01 C +ANISOU 301 CG LEU A 17 1662 1044 1096 -306 141 93 C +ATOM 302 CD1 LEU A 17 -10.475 -1.703 -7.954 1.00 11.22 C +ANISOU 302 CD1 LEU A 17 1654 1306 1302 -91 381 54 C +ATOM 303 CD2 LEU A 17 -9.650 -3.348 -9.619 1.00 11.83 C +ANISOU 303 CD2 LEU A 17 2067 1128 1300 -436 446 129 C +ATOM 304 H LEU A 17 -6.641 -1.332 -8.708 1.00 10.83 H +ATOM 305 HA LEU A 17 -7.679 -2.022 -10.978 1.00 10.84 H +ATOM 306 HB2 LEU A 17 -8.735 -0.197 -9.115 1.00 10.84 H +ATOM 307 HB3 LEU A 17 -9.569 -0.811 -10.320 1.00 10.84 H +ATOM 308 HG LEU A 17 -8.572 -2.371 -8.198 1.00 12.01 H +ATOM 309 HD11 LEU A 17 -10.739 -2.441 -7.383 1.00 13.46 H +ATOM 310 HD12 LEU A 17 -10.218 -0.941 -7.411 1.00 13.46 H +ATOM 311 HD13 LEU A 17 -11.208 -1.459 -8.540 1.00 13.46 H +ATOM 312 HD21 LEU A 17 -10.000 -4.038 -9.033 1.00 14.20 H +ATOM 313 HD22 LEU A 17 -10.318 -3.102 -10.277 1.00 14.20 H +ATOM 314 HD23 LEU A 17 -8.849 -3.667 -10.064 1.00 14.20 H +ATOM 315 N LYS A 18 -6.711 1.026 -10.874 1.00 9.59 N +ANISOU 315 N LYS A 18 1736 928 978 79 263 112 N +ATOM 316 CA LYS A 18 -6.381 2.179 -11.705 1.00 10.00 C +ANISOU 316 CA LYS A 18 1787 1040 973 131 310 -91 C +ATOM 317 C LYS A 18 -5.369 1.804 -12.788 1.00 10.68 C +ANISOU 317 C LYS A 18 2123 1028 908 -110 440 -24 C +ATOM 318 O LYS A 18 -5.549 2.134 -13.966 1.00 12.57 O +ANISOU 318 O LYS A 18 2596 1093 1087 -90 579 104 O +ATOM 319 CB LYS A 18 -5.850 3.293 -10.807 1.00 10.80 C +ANISOU 319 CB LYS A 18 1899 1027 1178 -60 385 -95 C +ATOM 320 CG LYS A 18 -5.492 4.564 -11.543 1.00 13.16 C +ANISOU 320 CG LYS A 18 2397 1094 1510 -178 630 -51 C +ATOM 321 CD LYS A 18 -4.875 5.567 -10.567 1.00 17.06 C +ANISOU 321 CD LYS A 18 3218 1403 1859 -358 847 -25 C +ATOM 322 CE LYS A 18 -4.230 6.753 -11.245 1.00 21.09 C +ANISOU 322 CE LYS A 18 4077 1789 2146 -146 545 -85 C +ATOM 323 NZ LYS A 18 -3.497 7.570 -10.240 1.00 23.95 N +ANISOU 323 NZ LYS A 18 4393 2126 2580 -135 1005 -172 N +ATOM 324 H LYS A 18 -6.496 1.115 -10.046 1.00 11.50 H +ATOM 325 HA LYS A 18 -7.177 2.501 -12.156 1.00 12.00 H +ATOM 326 HB2 LYS A 18 -6.530 3.514 -10.151 1.00 12.96 H +ATOM 327 HB3 LYS A 18 -5.049 2.977 -10.360 1.00 12.96 H +ATOM 328 HG2 LYS A 18 -4.848 4.369 -12.240 1.00 15.80 H +ATOM 329 HG3 LYS A 18 -6.291 4.956 -11.929 1.00 15.80 H +ATOM 330 HD2 LYS A 18 -5.571 5.904 -9.981 1.00 20.47 H +ATOM 331 HD3 LYS A 18 -4.192 5.117 -10.046 1.00 20.47 H +ATOM 332 HE2 LYS A 18 -3.601 6.445 -11.915 1.00 25.31 H +ATOM 333 HE3 LYS A 18 -4.912 7.305 -11.658 1.00 25.31 H +ATOM 334 HZ1 LYS A 18 -2.861 7.081 -9.855 1.00 28.74 H +ATOM 335 HZ2 LYS A 18 -3.121 8.273 -10.636 1.00 28.74 H +ATOM 336 HZ3 LYS A 18 -4.059 7.858 -9.613 1.00 28.74 H +ATOM 337 N LYS A 19 -4.295 1.105 -12.410 1.00 10.68 N +ANISOU 337 N LYS A 19 1692 1190 1178 -4 441 -49 N +ATOM 338 CA LYS A 19 -3.302 0.671 -13.388 1.00 12.01 C +ANISOU 338 CA LYS A 19 1644 1591 1330 -54 561 -242 C +ATOM 339 C LYS A 19 -3.949 -0.183 -14.469 1.00 10.88 C +ANISOU 339 C LYS A 19 1684 1281 1168 -5 780 -207 C +ATOM 340 O LYS A 19 -3.596 -0.085 -15.651 1.00 11.12 O +ANISOU 340 O LYS A 19 1700 1249 1276 -20 557 -42 O +ATOM 341 CB LYS A 19 -2.213 -0.128 -12.660 1.00 15.76 C +ANISOU 341 CB LYS A 19 1605 2297 2087 -56 476 -326 C +ATOM 342 CG LYS A 19 -1.145 -0.760 -13.543 1.00 19.48 C +ANISOU 342 CG LYS A 19 2483 2413 2505 26 236 -195 C +ATOM 343 CD LYS A 19 -0.044 -1.412 -12.695 1.00 21.29 C +ANISOU 343 CD LYS A 19 3191 2376 2523 96 -238 -12 C +ATOM 344 CE LYS A 19 -0.504 -2.682 -11.955 1.00 21.69 C +ANISOU 344 CE LYS A 19 3338 2274 2630 214 -390 -45 C +ATOM 345 NZ LYS A 19 -0.765 -3.837 -12.857 1.00 19.69 N +ANISOU 345 NZ LYS A 19 3125 2058 2298 73 -311 -246 N +ATOM 346 H LYS A 19 -4.119 0.871 -11.601 1.00 12.82 H +ATOM 347 HA LYS A 19 -2.898 1.442 -13.815 1.00 14.42 H +ATOM 348 HB2 LYS A 19 -1.760 0.470 -12.044 1.00 18.92 H +ATOM 349 HB3 LYS A 19 -2.642 -0.847 -12.169 1.00 18.92 H +ATOM 350 HG2 LYS A 19 -1.549 -1.444 -14.099 1.00 23.37 H +ATOM 351 HG3 LYS A 19 -0.740 -0.076 -14.099 1.00 23.37 H +ATOM 352 HD2 LYS A 19 0.693 -1.658 -13.275 1.00 25.55 H +ATOM 353 HD3 LYS A 19 0.257 -0.774 -12.029 1.00 25.55 H +ATOM 354 HE2 LYS A 19 0.187 -2.947 -11.328 1.00 26.03 H +ATOM 355 HE3 LYS A 19 -1.326 -2.487 -11.479 1.00 26.03 H +ATOM 356 HZ1 LYS A 19 -1.001 -4.550 -12.379 1.00 23.63 H +ATOM 357 HZ2 LYS A 19 -1.422 -3.639 -13.423 1.00 23.63 H +ATOM 358 HZ3 LYS A 19 -0.031 -4.032 -13.322 1.00 23.63 H +ATOM 359 N GLU A 20 -4.894 -1.039 -14.080 1.00 10.44 N +ANISOU 359 N GLU A 20 1667 1308 991 -94 464 -67 N +ATOM 360 CA GLU A 20 -5.533 -1.961 -15.007 1.00 10.52 C +ANISOU 360 CA GLU A 20 1587 1160 1249 -27 434 -126 C +ATOM 361 C GLU A 20 -6.661 -1.332 -15.813 1.00 9.61 C +ANISOU 361 C GLU A 20 1646 1124 881 -40 442 138 C +ATOM 362 O GLU A 20 -7.156 -1.972 -16.745 1.00 10.65 O +ANISOU 362 O GLU A 20 1847 1355 846 156 274 -65 O +ATOM 363 CB GLU A 20 -6.116 -3.139 -14.228 1.00 10.52 C +ANISOU 363 CB GLU A 20 1866 1059 1072 132 468 105 C +ATOM 364 CG GLU A 20 -5.093 -3.987 -13.530 1.00 12.38 C +ANISOU 364 CG GLU A 20 2049 1197 1457 131 602 -164 C +ATOM 365 CD GLU A 20 -4.188 -4.708 -14.510 1.00 13.88 C +ANISOU 365 CD GLU A 20 2050 1481 1744 142 241 -172 C +ATOM 366 OE1 GLU A 20 -4.689 -5.537 -15.310 1.00 15.83 O +ANISOU 366 OE1 GLU A 20 1933 1824 2258 319 271 -562 O +ATOM 367 OE2 GLU A 20 -2.971 -4.438 -14.484 1.00 13.65 O +ANISOU 367 OE2 GLU A 20 2318 1538 1330 198 502 -22 O +ATOM 368 H GLU A 20 -5.184 -1.103 -13.273 1.00 12.53 H +ATOM 369 HA GLU A 20 -4.858 -2.277 -15.627 1.00 12.62 H +ATOM 370 HB2 GLU A 20 -6.722 -2.794 -13.554 1.00 12.63 H +ATOM 371 HB3 GLU A 20 -6.598 -3.710 -14.847 1.00 12.63 H +ATOM 372 HG2 GLU A 20 -4.541 -3.421 -12.967 1.00 14.86 H +ATOM 373 HG3 GLU A 20 -5.547 -4.652 -12.989 1.00 14.86 H +ATOM 374 N GLY A 21 -7.091 -0.121 -15.482 1.00 9.86 N +ANISOU 374 N GLY A 21 1775 1092 878 -100 325 7 N +ATOM 375 CA GLY A 21 -8.251 0.462 -16.125 1.00 10.97 C +ANISOU 375 CA GLY A 21 2056 1156 954 -34 350 -29 C +ATOM 376 C GLY A 21 -9.553 -0.226 -15.794 1.00 11.00 C +ANISOU 376 C GLY A 21 2189 1279 710 -270 147 -87 C +ATOM 377 O GLY A 21 -10.461 -0.263 -16.626 1.00 13.50 O +ANISOU 377 O GLY A 21 2479 1881 771 -375 353 102 O +ATOM 378 H GLY A 21 -6.728 0.383 -14.887 1.00 11.83 H +ATOM 379 HA2 GLY A 21 -8.326 1.390 -15.855 1.00 13.16 H +ATOM 380 HA3 GLY A 21 -8.129 0.422 -17.087 1.00 13.16 H +ATOM 381 N ILE A 22 -9.668 -0.781 -14.596 1.00 9.58 N +ANISOU 381 N ILE A 22 1940 943 757 49 299 -9 N +ATOM 382 CA ILE A 22 -10.865 -1.492 -14.176 1.00 10.02 C +ANISOU 382 CA ILE A 22 1767 1064 976 139 319 -45 C +ATOM 383 C ILE A 22 -11.707 -0.553 -13.334 1.00 10.43 C +ANISOU 383 C ILE A 22 2061 1061 840 188 323 -2 C +ATOM 384 O ILE A 22 -11.246 -0.047 -12.305 1.00 11.36 O +ANISOU 384 O ILE A 22 2244 1190 883 71 393 -250 O +ATOM 385 CB ILE A 22 -10.509 -2.758 -13.385 1.00 9.28 C +ANISOU 385 CB ILE A 22 1474 1071 980 -64 181 -22 C +ATOM 386 CG1 ILE A 22 -9.737 -3.729 -14.279 1.00 9.41 C +ANISOU 386 CG1 ILE A 22 1312 1036 1227 71 300 4 C +ATOM 387 CG2 ILE A 22 -11.771 -3.384 -12.848 1.00 10.72 C +ANISOU 387 CG2 ILE A 22 1572 1310 1190 86 231 111 C +ATOM 388 CD1 ILE A 22 -9.098 -4.878 -13.535 1.00 11.69 C +ANISOU 388 CD1 ILE A 22 1925 1191 1324 80 332 246 C +ATOM 389 H ILE A 22 -9.051 -0.758 -13.998 1.00 11.50 H +ATOM 390 HA ILE A 22 -11.378 -1.746 -14.960 1.00 12.03 H +ATOM 391 HB ILE A 22 -9.939 -2.528 -12.635 1.00 11.14 H +ATOM 392 HG12 ILE A 22 -10.350 -4.105 -14.931 1.00 11.29 H +ATOM 393 HG13 ILE A 22 -9.031 -3.241 -14.730 1.00 11.29 H +ATOM 394 HG21 ILE A 22 -11.567 -4.272 -12.517 1.00 12.86 H +ATOM 395 HG22 ILE A 22 -12.115 -2.833 -12.128 1.00 12.86 H +ATOM 396 HG23 ILE A 22 -12.425 -3.440 -13.563 1.00 12.86 H +ATOM 397 HD11 ILE A 22 -8.514 -5.360 -14.140 1.00 14.03 H +ATOM 398 HD12 ILE A 22 -8.586 -4.526 -12.790 1.00 14.03 H +ATOM 399 HD13 ILE A 22 -9.795 -5.469 -13.207 1.00 14.03 H +ATOM 400 N THR A 23 -12.955 -0.348 -13.741 1.00 11.08 N +ANISOU 400 N THR A 23 2186 1056 968 466 348 58 N +ATOM 401 CA THR A 23 -13.808 0.635 -13.093 1.00 13.47 C +ANISOU 401 CA THR A 23 2344 1376 1397 611 507 318 C +ATOM 402 C THR A 23 -15.118 0.051 -12.584 1.00 13.42 C +ANISOU 402 C THR A 23 2274 1629 1196 628 760 252 C +ATOM 403 O THR A 23 -15.961 0.814 -12.103 1.00 18.54 O +ANISOU 403 O THR A 23 2963 2078 2003 1039 1193 380 O +ATOM 404 CB THR A 23 -14.093 1.800 -14.043 1.00 16.67 C +ANISOU 404 CB THR A 23 2732 1728 1875 736 617 565 C +ATOM 405 OG1 THR A 23 -14.801 1.310 -15.189 1.00 18.77 O +ANISOU 405 OG1 THR A 23 3414 2108 1611 869 389 664 O +ATOM 406 CG2 THR A 23 -12.794 2.464 -14.489 1.00 19.50 C +ANISOU 406 CG2 THR A 23 2848 1861 2700 474 456 748 C +ATOM 407 H THR A 23 -13.329 -0.768 -14.392 1.00 13.30 H +ATOM 408 HA THR A 23 -13.330 0.980 -12.323 1.00 16.16 H +ATOM 409 HB THR A 23 -14.629 2.469 -13.590 1.00 20.01 H +ATOM 410 HG1 THR A 23 -15.570 1.057 -14.964 1.00 22.53 H +ATOM 411 HG21 THR A 23 -12.989 3.263 -15.003 1.00 23.40 H +ATOM 412 HG22 THR A 23 -12.264 2.709 -13.714 1.00 23.40 H +ATOM 413 HG23 THR A 23 -12.281 1.852 -15.040 1.00 23.40 H +ATOM 414 N ASN A 24 -15.301 -1.272 -12.622 1.00 10.89 N +ANISOU 414 N ASN A 24 1510 1529 1097 315 195 167 N +ATOM 415 CA ASN A 24 -16.571 -1.877 -12.233 1.00 12.21 C +ANISOU 415 CA ASN A 24 1689 1713 1236 342 130 178 C +ATOM 416 C ASN A 24 -16.509 -2.642 -10.910 1.00 12.66 C +ANISOU 416 C ASN A 24 1883 1844 1085 264 158 515 C +ATOM 417 O ASN A 24 -17.363 -3.495 -10.656 1.00 15.81 O +ANISOU 417 O ASN A 24 1901 2804 1301 -115 57 624 O +ATOM 418 CB ASN A 24 -17.113 -2.769 -13.354 1.00 13.25 C +ANISOU 418 CB ASN A 24 1851 1967 1217 252 -89 236 C +ATOM 419 CG ASN A 24 -16.248 -3.985 -13.618 1.00 13.12 C +ANISOU 419 CG ASN A 24 1708 2016 1263 -50 39 52 C +ATOM 420 OD1 ASN A 24 -15.085 -4.040 -13.224 1.00 12.49 O +ANISOU 420 OD1 ASN A 24 1730 1795 1222 156 289 -83 O +ATOM 421 ND2 ASN A 24 -16.819 -4.974 -14.296 1.00 17.07 N +ANISOU 421 ND2 ASN A 24 2181 2429 1875 -67 -176 -2 N +ATOM 422 H ASN A 24 -14.701 -1.836 -12.870 1.00 13.06 H +ATOM 423 HA ASN A 24 -17.204 -1.154 -12.099 1.00 14.65 H +ATOM 424 HB2 ASN A 24 -17.998 -3.080 -13.109 1.00 15.90 H +ATOM 425 HB3 ASN A 24 -17.158 -2.252 -14.174 1.00 15.90 H +ATOM 426 HD21 ASN A 24 -16.373 -5.688 -14.473 1.00 20.48 H +ATOM 427 HD22 ASN A 24 -17.635 -4.901 -14.558 1.00 20.48 H +ATOM 428 N VAL A 25 -15.546 -2.334 -10.044 1.00 12.75 N +ANISOU 428 N VAL A 25 2292 1485 1066 107 185 188 N +ATOM 429 CA VAL A 25 -15.400 -3.010 -8.758 1.00 12.44 C +ANISOU 429 CA VAL A 25 2334 1455 940 73 117 310 C +ATOM 430 C VAL A 25 -15.935 -2.111 -7.648 1.00 11.70 C +ANISOU 430 C VAL A 25 2205 1360 881 -40 221 127 C +ATOM 431 O VAL A 25 -15.586 -0.928 -7.571 1.00 15.48 O +ANISOU 431 O VAL A 25 3128 1415 1338 -209 817 -109 O +ATOM 432 CB VAL A 25 -13.929 -3.376 -8.503 1.00 12.33 C +ANISOU 432 CB VAL A 25 1979 1528 1178 -110 113 101 C +ATOM 433 CG1 VAL A 25 -13.766 -3.935 -7.104 1.00 11.88 C +ANISOU 433 CG1 VAL A 25 1781 1666 1065 -84 185 199 C +ATOM 434 CG2 VAL A 25 -13.421 -4.346 -9.564 1.00 12.42 C +ANISOU 434 CG2 VAL A 25 2310 1246 1162 -1 513 36 C +ATOM 435 H VAL A 25 -14.955 -1.726 -10.184 1.00 15.30 H +ATOM 436 HA VAL A 25 -15.935 -3.819 -8.763 1.00 14.94 H +ATOM 437 HB VAL A 25 -13.383 -2.576 -8.566 1.00 14.80 H +ATOM 438 HG11 VAL A 25 -12.904 -4.374 -7.039 1.00 14.26 H +ATOM 439 HG12 VAL A 25 -13.816 -3.207 -6.465 1.00 14.26 H +ATOM 440 HG13 VAL A 25 -14.476 -4.574 -6.935 1.00 14.26 H +ATOM 441 HG21 VAL A 25 -12.475 -4.504 -9.420 1.00 14.90 H +ATOM 442 HG22 VAL A 25 -13.911 -5.180 -9.489 1.00 14.90 H +ATOM 443 HG23 VAL A 25 -13.562 -3.957 -10.441 1.00 14.90 H +ATOM 444 N GLU A 26 -16.758 -2.673 -6.770 1.00 10.84 N +ANISOU 444 N GLU A 26 1844 1475 801 95 111 195 N +ATOM 445 CA GLU A 26 -17.257 -1.959 -5.603 1.00 12.34 C +ANISOU 445 CA GLU A 26 1963 1797 930 463 197 -7 C +ATOM 446 C GLU A 26 -16.587 -2.519 -4.359 1.00 10.00 C +ANISOU 446 C GLU A 26 1615 1303 882 238 140 69 C +ATOM 447 O GLU A 26 -16.440 -3.737 -4.225 1.00 11.61 O +ANISOU 447 O GLU A 26 1911 1322 1177 107 -100 -118 O +ATOM 448 CB GLU A 26 -18.769 -2.112 -5.477 1.00 15.86 C +ANISOU 448 CB GLU A 26 2245 2503 1280 686 -122 -30 C +ATOM 449 CG GLU A 26 -19.543 -1.339 -6.536 1.00 23.74 C +ANISOU 449 CG GLU A 26 3707 2944 2370 644 -183 297 C +ATOM 450 CD GLU A 26 -19.281 0.167 -6.510 1.00 30.34 C +ANISOU 450 CD GLU A 26 5046 3322 3160 881 -333 540 C +ATOM 451 OE1 GLU A 26 -19.065 0.728 -5.414 1.00 33.20 O +ANISOU 451 OE1 GLU A 26 5498 3637 3481 942 -584 268 O +ATOM 452 OE2 GLU A 26 -19.293 0.794 -7.591 1.00 33.89 O +ANISOU 452 OE2 GLU A 26 5635 3294 3947 882 43 755 O +ATOM 453 H GLU A 26 -17.045 -3.481 -6.832 1.00 13.01 H +ATOM 454 HA GLU A 26 -17.052 -1.014 -5.679 1.00 14.81 H +ATOM 455 HB2 GLU A 26 -18.998 -3.050 -5.565 1.00 19.04 H +ATOM 456 HB3 GLU A 26 -19.046 -1.784 -4.607 1.00 19.04 H +ATOM 457 HG2 GLU A 26 -19.288 -1.669 -7.412 1.00 28.50 H +ATOM 458 HG3 GLU A 26 -20.493 -1.477 -6.393 1.00 28.50 H +ATOM 459 N ILE A 27 -16.165 -1.622 -3.469 1.00 9.95 N +ANISOU 459 N ILE A 27 1763 1038 980 133 278 162 N +ATOM 460 CA ILE A 27 -15.423 -1.976 -2.265 1.00 9.91 C +ANISOU 460 CA ILE A 27 1732 1151 883 49 454 52 C +ATOM 461 C ILE A 27 -16.155 -1.378 -1.072 1.00 9.76 C +ANISOU 461 C ILE A 27 1833 1080 796 122 295 135 C +ATOM 462 O ILE A 27 -16.472 -0.181 -1.077 1.00 11.49 O +ANISOU 462 O ILE A 27 2158 973 1235 393 387 136 O +ATOM 463 CB ILE A 27 -13.990 -1.409 -2.284 1.00 10.96 C +ANISOU 463 CB ILE A 27 1815 1260 1090 -33 251 12 C +ATOM 464 CG1 ILE A 27 -13.232 -1.851 -3.531 1.00 12.14 C +ANISOU 464 CG1 ILE A 27 1948 1261 1404 -52 532 24 C +ATOM 465 CG2 ILE A 27 -13.239 -1.833 -1.006 1.00 11.65 C +ANISOU 465 CG2 ILE A 27 1617 1437 1371 -271 244 64 C +ATOM 466 CD1 ILE A 27 -11.998 -1.015 -3.801 1.00 14.35 C +ANISOU 466 CD1 ILE A 27 2338 1307 1807 -187 820 -15 C +ATOM 467 H ILE A 27 -16.302 -0.776 -3.548 1.00 11.94 H +ATOM 468 HA ILE A 27 -15.391 -2.942 -2.191 1.00 11.90 H +ATOM 469 HB ILE A 27 -14.049 -0.441 -2.310 1.00 13.15 H +ATOM 470 HG12 ILE A 27 -12.950 -2.772 -3.418 1.00 14.57 H +ATOM 471 HG13 ILE A 27 -13.818 -1.775 -4.299 1.00 14.57 H +ATOM 472 HG21 ILE A 27 -12.295 -1.643 -1.117 1.00 13.98 H +ATOM 473 HG22 ILE A 27 -13.591 -1.334 -0.253 1.00 13.98 H +ATOM 474 HG23 ILE A 27 -13.371 -2.784 -0.864 1.00 13.98 H +ATOM 475 HD11 ILE A 27 -11.633 -1.260 -4.666 1.00 17.22 H +ATOM 476 HD12 ILE A 27 -12.246 -0.077 -3.800 1.00 17.22 H +ATOM 477 HD13 ILE A 27 -11.343 -1.185 -3.106 1.00 17.22 H +ATOM 478 N ARG A 28 -16.378 -2.183 -0.036 1.00 9.33 N +ANISOU 478 N ARG A 28 1716 1064 764 154 206 54 N +ATOM 479 CA ARG A 28 -16.955 -1.707 1.214 1.00 9.97 C +ANISOU 479 CA ARG A 28 1493 1297 1000 190 325 14 C +ATOM 480 C ARG A 28 -16.124 -2.248 2.369 1.00 10.17 C +ANISOU 480 C ARG A 28 1855 1120 891 256 300 122 C +ATOM 481 O ARG A 28 -15.638 -3.382 2.317 1.00 11.31 O +ANISOU 481 O ARG A 28 2174 1117 1007 298 214 -42 O +ATOM 482 CB ARG A 28 -18.401 -2.171 1.372 1.00 12.09 C +ANISOU 482 CB ARG A 28 1940 1505 1149 -9 319 -211 C +ATOM 483 CG ARG A 28 -19.356 -1.622 0.323 1.00 16.04 C +ANISOU 483 CG ARG A 28 2556 1797 1742 277 -272 153 C +ATOM 484 CD ARG A 28 -19.530 -0.114 0.459 1.00 18.09 C +ANISOU 484 CD ARG A 28 2693 2069 2111 332 -505 468 C +ATOM 485 NE ARG A 28 -20.567 0.407 -0.425 1.00 21.51 N +ANISOU 485 NE ARG A 28 3259 2323 2592 352 82 607 N +ATOM 486 CZ ARG A 28 -20.357 0.836 -1.667 1.00 24.20 C +ANISOU 486 CZ ARG A 28 4099 2522 2574 593 -67 618 C +ATOM 487 NH1 ARG A 28 -19.140 0.798 -2.192 1.00 22.82 N +ANISOU 487 NH1 ARG A 28 3816 2530 2325 556 129 525 N +ATOM 488 NH2 ARG A 28 -21.370 1.295 -2.389 1.00 26.93 N +ANISOU 488 NH2 ARG A 28 4718 2800 2712 694 -439 513 N +ATOM 489 H ARG A 28 -16.198 -3.024 -0.037 1.00 11.20 H +ATOM 490 HA ARG A 28 -16.942 -0.738 1.234 1.00 11.97 H +ATOM 491 HB2 ARG A 28 -18.424 -3.138 1.312 1.00 14.51 H +ATOM 492 HB3 ARG A 28 -18.724 -1.884 2.241 1.00 14.51 H +ATOM 493 HG2 ARG A 28 -19.004 -1.809 -0.561 1.00 19.25 H +ATOM 494 HG3 ARG A 28 -20.225 -2.039 0.430 1.00 19.25 H +ATOM 495 HD2 ARG A 28 -19.779 0.096 1.373 1.00 21.71 H +ATOM 496 HD3 ARG A 28 -18.694 0.323 0.234 1.00 21.71 H +ATOM 497 HE ARG A 28 -21.372 0.440 -0.122 1.00 25.82 H +ATOM 498 HH11 ARG A 28 -18.481 0.495 -1.729 1.00 27.39 H +ATOM 499 HH12 ARG A 28 -19.009 1.076 -2.995 1.00 27.39 H +ATOM 500 HH21 ARG A 28 -22.162 1.316 -2.055 1.00 32.31 H +ATOM 501 HH22 ARG A 28 -21.235 1.573 -3.192 1.00 32.31 H +ATOM 502 N ILE A 29 -15.967 -1.433 3.409 1.00 10.32 N +ANISOU 502 N ILE A 29 2122 916 882 337 297 38 N +ATOM 503 CA ILE A 29 -15.316 -1.837 4.653 1.00 11.01 C +ANISOU 503 CA ILE A 29 2283 1071 831 222 516 69 C +ATOM 504 C ILE A 29 -16.312 -1.604 5.773 1.00 12.38 C +ANISOU 504 C ILE A 29 2269 1265 1171 420 285 85 C +ATOM 505 O ILE A 29 -16.864 -0.507 5.887 1.00 14.43 O +ANISOU 505 O ILE A 29 2822 1225 1435 791 675 120 O +ATOM 506 CB ILE A 29 -14.032 -1.030 4.916 1.00 11.82 C +ANISOU 506 CB ILE A 29 2410 1191 889 288 166 8 C +ATOM 507 CG1 ILE A 29 -12.979 -1.328 3.852 1.00 12.87 C +ANISOU 507 CG1 ILE A 29 2465 1338 1087 106 315 154 C +ATOM 508 CG2 ILE A 29 -13.488 -1.346 6.310 1.00 13.16 C +ANISOU 508 CG2 ILE A 29 2319 1400 1281 283 -81 -117 C +ATOM 509 CD1 ILE A 29 -11.802 -0.372 3.869 1.00 14.90 C +ANISOU 509 CD1 ILE A 29 2175 1545 1941 47 238 204 C +ATOM 510 H ILE A 29 -16.238 -0.617 3.416 1.00 12.38 H +ATOM 511 HA ILE A 29 -15.083 -2.777 4.610 1.00 13.22 H +ATOM 512 HB ILE A 29 -14.250 -0.086 4.870 1.00 14.18 H +ATOM 513 HG12 ILE A 29 -12.635 -2.224 3.997 1.00 15.45 H +ATOM 514 HG13 ILE A 29 -13.395 -1.270 2.977 1.00 15.45 H +ATOM 515 HG21 ILE A 29 -12.573 -1.031 6.371 1.00 15.79 H +ATOM 516 HG22 ILE A 29 -14.038 -0.899 6.973 1.00 15.79 H +ATOM 517 HG23 ILE A 29 -13.517 -2.306 6.450 1.00 15.79 H +ATOM 518 HD11 ILE A 29 -11.274 -0.508 3.067 1.00 17.88 H +ATOM 519 HD12 ILE A 29 -12.135 0.538 3.896 1.00 17.88 H +ATOM 520 HD13 ILE A 29 -11.262 -0.550 4.655 1.00 17.88 H +ATOM 521 N ASP A 30 -16.551 -2.631 6.580 1.00 12.69 N +ANISOU 521 N ASP A 30 1989 1636 1198 538 455 388 N +ATOM 522 CA ASP A 30 -17.596 -2.568 7.598 1.00 15.88 C +ANISOU 522 CA ASP A 30 1924 2397 1713 338 512 588 C +ATOM 523 C ASP A 30 -17.173 -3.420 8.787 1.00 13.14 C +ANISOU 523 C ASP A 30 1966 2028 999 431 466 334 C +ATOM 524 O ASP A 30 -17.148 -4.645 8.685 1.00 13.19 O +ANISOU 524 O ASP A 30 2160 1836 1014 542 238 127 O +ATOM 525 CB ASP A 30 -18.913 -3.061 6.990 1.00 23.60 C +ANISOU 525 CB ASP A 30 2893 3260 2816 205 631 852 C +ATOM 526 CG ASP A 30 -20.029 -3.178 8.000 1.00 31.29 C +ANISOU 526 CG ASP A 30 3951 3831 4105 -3 675 651 C +ATOM 527 OD1 ASP A 30 -20.646 -4.261 8.061 1.00 35.74 O +ANISOU 527 OD1 ASP A 30 4433 4044 5104 -106 723 586 O +ATOM 528 OD2 ASP A 30 -20.292 -2.194 8.721 1.00 32.95 O +ANISOU 528 OD2 ASP A 30 4278 4145 4095 -82 806 467 O +ATOM 529 H ASP A 30 -16.122 -3.376 6.559 1.00 15.23 H +ATOM 530 HA ASP A 30 -17.701 -1.661 7.925 1.00 19.06 H +ATOM 531 HB2 ASP A 30 -19.196 -2.435 6.305 1.00 28.33 H +ATOM 532 HB3 ASP A 30 -18.770 -3.937 6.600 1.00 28.33 H +ATOM 533 N ASN A 31 -16.843 -2.780 9.914 1.00 13.08 N +ANISOU 533 N ASN A 31 1959 1794 1218 306 470 200 N +ATOM 534 CA ASN A 31 -16.558 -3.484 11.165 1.00 12.43 C +ANISOU 534 CA ASN A 31 2021 1727 972 250 449 53 C +ATOM 535 C ASN A 31 -15.579 -4.644 10.974 1.00 12.77 C +ANISOU 535 C ASN A 31 2123 2070 660 356 239 86 C +ATOM 536 O ASN A 31 -15.802 -5.764 11.436 1.00 13.76 O +ANISOU 536 O ASN A 31 2358 2063 808 512 279 292 O +ATOM 537 CB ASN A 31 -17.867 -3.944 11.798 1.00 12.85 C +ANISOU 537 CB ASN A 31 1969 1821 1091 229 307 -1 C +ATOM 538 CG ASN A 31 -18.701 -2.788 12.281 1.00 13.68 C +ANISOU 538 CG ASN A 31 2111 2134 954 255 137 -59 C +ATOM 539 OD1 ASN A 31 -18.176 -1.825 12.847 1.00 16.12 O +ANISOU 539 OD1 ASN A 31 2139 2514 1471 360 78 -480 O +ATOM 540 ND2 ASN A 31 -20.007 -2.861 12.055 1.00 14.86 N +ANISOU 540 ND2 ASN A 31 2015 2261 1370 190 219 54 N +ATOM 541 H ASN A 31 -16.777 -1.925 9.976 1.00 15.70 H +ATOM 542 HA ASN A 31 -16.114 -2.870 11.771 1.00 14.91 H +ATOM 543 HB2 ASN A 31 -18.384 -4.436 11.141 1.00 15.42 H +ATOM 544 HB3 ASN A 31 -17.670 -4.514 12.559 1.00 15.42 H +ATOM 545 HD21 ASN A 31 -20.525 -2.224 12.313 1.00 17.84 H +ATOM 546 HD22 ASN A 31 -20.336 -3.545 11.651 1.00 17.84 H +ATOM 547 N GLY A 32 -14.464 -4.361 10.300 1.00 13.69 N +ANISOU 547 N GLY A 32 1877 2484 840 443 164 -90 N +ATOM 548 CA GLY A 32 -13.399 -5.329 10.144 1.00 15.54 C +ANISOU 548 CA GLY A 32 2086 2703 1114 655 398 185 C +ATOM 549 C GLY A 32 -13.570 -6.281 8.988 1.00 15.15 C +ANISOU 549 C GLY A 32 1958 2513 1283 739 692 558 C +ATOM 550 O GLY A 32 -12.747 -7.189 8.815 1.00 16.47 O +ANISOU 550 O GLY A 32 1924 2733 1600 791 357 707 O +ATOM 551 H GLY A 32 -14.307 -3.605 9.922 1.00 16.43 H +ATOM 552 HA2 GLY A 32 -12.564 -4.854 10.014 1.00 18.65 H +ATOM 553 HA3 GLY A 32 -13.338 -5.858 10.955 1.00 18.65 H +ATOM 554 N ARG A 33 -14.612 -6.107 8.198 1.00 13.23 N +ANISOU 554 N ARG A 33 2017 1993 1018 647 341 610 N +ATOM 555 CA ARG A 33 -14.870 -6.942 7.044 1.00 13.13 C +ANISOU 555 CA ARG A 33 2439 1472 1078 570 483 312 C +ATOM 556 C ARG A 33 -14.622 -6.128 5.784 1.00 11.44 C +ANISOU 556 C ARG A 33 2164 1193 992 535 420 218 C +ATOM 557 O ARG A 33 -15.045 -4.971 5.688 1.00 12.43 O +ANISOU 557 O ARG A 33 2391 1352 981 556 612 233 O +ATOM 558 CB ARG A 33 -16.319 -7.406 7.092 1.00 14.74 C +ANISOU 558 CB ARG A 33 2412 1549 1638 23 610 145 C +ATOM 559 CG ARG A 33 -16.711 -8.303 5.958 1.00 19.02 C +ANISOU 559 CG ARG A 33 2684 2051 2492 -106 738 -188 C +ATOM 560 CD ARG A 33 -18.110 -8.823 6.160 1.00 22.95 C +ANISOU 560 CD ARG A 33 2727 2472 3519 -5 1057 -311 C +ATOM 561 NE ARG A 33 -19.093 -7.752 6.050 1.00 25.71 N +ANISOU 561 NE ARG A 33 2825 2715 4229 292 1004 -588 N +ATOM 562 CZ ARG A 33 -19.763 -7.459 4.940 1.00 29.26 C +ANISOU 562 CZ ARG A 33 3264 2918 4935 404 902 -733 C +ATOM 563 NH1 ARG A 33 -19.576 -8.166 3.832 1.00 29.39 N +ANISOU 563 NH1 ARG A 33 3276 2967 4922 162 1130 -912 N +ATOM 564 NH2 ARG A 33 -20.633 -6.461 4.945 1.00 32.03 N +ANISOU 564 NH2 ARG A 33 3745 3065 5362 528 640 -571 N +ATOM 565 H ARG A 33 -15.201 -5.492 8.317 1.00 15.88 H +ATOM 566 HA ARG A 33 -14.280 -7.712 7.026 1.00 15.76 H +ATOM 567 HB2 ARG A 33 -16.462 -7.894 7.918 1.00 17.69 H +ATOM 568 HB3 ARG A 33 -16.896 -6.627 7.064 1.00 17.69 H +ATOM 569 HG2 ARG A 33 -16.681 -7.807 5.125 1.00 22.83 H +ATOM 570 HG3 ARG A 33 -16.103 -9.059 5.916 1.00 22.83 H +ATOM 571 HD2 ARG A 33 -18.307 -9.489 5.484 1.00 27.54 H +ATOM 572 HD3 ARG A 33 -18.183 -9.215 7.044 1.00 27.54 H +ATOM 573 HE ARG A 33 -19.249 -7.277 6.750 1.00 30.85 H +ATOM 574 HH11 ARG A 33 -19.018 -8.820 3.829 1.00 35.27 H +ATOM 575 HH12 ARG A 33 -20.014 -7.971 3.118 1.00 35.27 H +ATOM 576 HH21 ARG A 33 -20.762 -6.006 5.664 1.00 38.44 H +ATOM 577 HH22 ARG A 33 -21.070 -6.267 4.230 1.00 38.44 H +ATOM 578 N LEU A 34 -13.921 -6.735 4.835 1.00 9.46 N +ANISOU 578 N LEU A 34 1709 1061 823 218 263 182 N +ATOM 579 CA LEU A 34 -13.720 -6.182 3.503 1.00 9.73 C +ANISOU 579 CA LEU A 34 1824 1224 648 161 256 35 C +ATOM 580 C LEU A 34 -14.640 -6.920 2.547 1.00 9.64 C +ANISOU 580 C LEU A 34 1773 1024 865 209 79 131 C +ATOM 581 O LEU A 34 -14.627 -8.155 2.491 1.00 11.47 O +ANISOU 581 O LEU A 34 1981 1033 1346 180 -153 -93 O +ATOM 582 CB LEU A 34 -12.269 -6.367 3.074 1.00 10.29 C +ANISOU 582 CB LEU A 34 1644 1329 935 204 335 185 C +ATOM 583 CG LEU A 34 -11.902 -5.889 1.678 1.00 12.41 C +ANISOU 583 CG LEU A 34 2061 1468 1188 530 675 299 C +ATOM 584 CD1 LEU A 34 -12.098 -4.356 1.607 1.00 14.03 C +ANISOU 584 CD1 LEU A 34 2636 1258 1435 273 792 375 C +ATOM 585 CD2 LEU A 34 -10.484 -6.305 1.320 1.00 14.59 C +ANISOU 585 CD2 LEU A 34 2100 1808 1635 724 897 354 C +ATOM 586 H LEU A 34 -13.538 -7.497 4.944 1.00 11.35 H +ATOM 587 HA LEU A 34 -13.929 -5.234 3.486 1.00 11.68 H +ATOM 588 HB2 LEU A 34 -11.708 -5.880 3.698 1.00 12.35 H +ATOM 589 HB3 LEU A 34 -12.064 -7.314 3.113 1.00 12.35 H +ATOM 590 HG LEU A 34 -12.479 -6.299 1.015 1.00 14.90 H +ATOM 591 HD11 LEU A 34 -11.802 -4.040 0.739 1.00 16.83 H +ATOM 592 HD12 LEU A 34 -13.038 -4.152 1.730 1.00 16.83 H +ATOM 593 HD13 LEU A 34 -11.573 -3.938 2.307 1.00 16.83 H +ATOM 594 HD21 LEU A 34 -10.295 -6.032 0.409 1.00 17.51 H +ATOM 595 HD22 LEU A 34 -9.864 -5.872 1.929 1.00 17.51 H +ATOM 596 HD23 LEU A 34 -10.407 -7.268 1.400 1.00 17.51 H +ATOM 597 N GLU A 35 -15.439 -6.161 1.804 1.00 9.77 N +ANISOU 597 N GLU A 35 1720 1146 844 132 216 -24 N +ATOM 598 CA GLU A 35 -16.342 -6.715 0.811 1.00 10.87 C +ANISOU 598 CA GLU A 35 1903 1259 969 125 131 -17 C +ATOM 599 C GLU A 35 -15.981 -6.143 -0.547 1.00 10.66 C +ANISOU 599 C GLU A 35 2254 1011 786 57 138 -25 C +ATOM 600 O GLU A 35 -15.862 -4.925 -0.694 1.00 12.48 O +ANISOU 600 O GLU A 35 2972 1020 748 146 36 23 O +ATOM 601 CB GLU A 35 -17.787 -6.349 1.125 1.00 13.51 C +ANISOU 601 CB GLU A 35 1960 1743 1429 -181 3 247 C +ATOM 602 CG GLU A 35 -18.799 -6.944 0.172 1.00 21.40 C +ANISOU 602 CG GLU A 35 2990 2494 2645 -237 171 531 C +ATOM 603 CD GLU A 35 -20.216 -6.525 0.503 1.00 28.92 C +ANISOU 603 CD GLU A 35 3835 3537 3615 25 499 547 C +ATOM 604 OE1 GLU A 35 -20.717 -6.919 1.579 1.00 31.60 O +ANISOU 604 OE1 GLU A 35 4258 4042 3706 296 654 454 O +ATOM 605 OE2 GLU A 35 -20.824 -5.791 -0.306 1.00 32.99 O +ANISOU 605 OE2 GLU A 35 4341 3911 4283 22 469 541 O +ATOM 606 H GLU A 35 -15.473 -5.303 1.863 1.00 11.72 H +ATOM 607 HA GLU A 35 -16.252 -7.681 0.796 1.00 13.05 H +ATOM 608 HB2 GLU A 35 -18.001 -6.666 2.017 1.00 16.21 H +ATOM 609 HB3 GLU A 35 -17.878 -5.384 1.086 1.00 16.21 H +ATOM 610 HG2 GLU A 35 -18.600 -6.646 -0.730 1.00 25.68 H +ATOM 611 HG3 GLU A 35 -18.751 -7.911 0.220 1.00 25.68 H +ATOM 612 N VAL A 36 -15.834 -7.017 -1.536 1.00 10.53 N +ANISOU 612 N VAL A 36 2218 1004 778 175 68 67 N +ATOM 613 CA VAL A 36 -15.531 -6.620 -2.905 1.00 10.91 C +ANISOU 613 CA VAL A 36 2255 1183 707 363 60 67 C +ATOM 614 C VAL A 36 -16.543 -7.305 -3.811 1.00 11.58 C +ANISOU 614 C VAL A 36 2519 1073 807 277 49 -138 C +ATOM 615 O VAL A 36 -16.720 -8.526 -3.736 1.00 14.19 O +ANISOU 615 O VAL A 36 3271 1066 1054 173 -297 -46 O +ATOM 616 CB VAL A 36 -14.090 -7.002 -3.294 1.00 12.17 C +ANISOU 616 CB VAL A 36 2323 1422 880 553 -13 -7 C +ATOM 617 CG1 VAL A 36 -13.783 -6.577 -4.717 1.00 13.12 C +ANISOU 617 CG1 VAL A 36 2346 1602 1037 545 131 10 C +ATOM 618 CG2 VAL A 36 -13.079 -6.381 -2.332 1.00 13.52 C +ANISOU 618 CG2 VAL A 36 2372 1541 1222 359 235 376 C +ATOM 619 H VAL A 36 -15.907 -7.868 -1.434 1.00 12.63 H +ATOM 620 HA VAL A 36 -15.625 -5.660 -3.008 1.00 13.09 H +ATOM 621 HB VAL A 36 -14.010 -7.967 -3.238 1.00 14.61 H +ATOM 622 HG11 VAL A 36 -12.835 -6.692 -4.884 1.00 15.75 H +ATOM 623 HG12 VAL A 36 -14.296 -7.129 -5.329 1.00 15.75 H +ATOM 624 HG13 VAL A 36 -14.028 -5.645 -4.828 1.00 15.75 H +ATOM 625 HG21 VAL A 36 -12.183 -6.625 -2.614 1.00 16.22 H +ATOM 626 HG22 VAL A 36 -13.179 -5.417 -2.347 1.00 16.22 H +ATOM 627 HG23 VAL A 36 -13.247 -6.717 -1.437 1.00 16.22 H +ATOM 628 N ARG A 37 -17.223 -6.523 -4.647 1.00 11.09 N +ANISOU 628 N ARG A 37 2251 1149 814 261 -4 -32 N +ATOM 629 CA ARG A 37 -18.170 -7.079 -5.604 1.00 10.80 C +ANISOU 629 CA ARG A 37 1875 1450 779 60 452 117 C +ATOM 630 C ARG A 37 -17.806 -6.597 -6.999 1.00 10.36 C +ANISOU 630 C ARG A 37 1752 1302 882 174 134 98 C +ATOM 631 O ARG A 37 -17.604 -5.400 -7.224 1.00 11.18 O +ANISOU 631 O ARG A 37 2025 1330 892 91 118 75 O +ATOM 632 CB ARG A 37 -19.630 -6.677 -5.330 1.00 16.85 C +ANISOU 632 CB ARG A 37 2619 2005 1780 -18 973 172 C +ATOM 633 CG ARG A 37 -20.641 -7.369 -6.284 1.00 22.63 C +ANISOU 633 CG ARG A 37 3127 2724 2749 49 759 339 C +ATOM 634 CD ARG A 37 -22.103 -6.923 -6.087 1.00 26.61 C +ANISOU 634 CD ARG A 37 3773 3216 3121 117 143 239 C +ATOM 635 NE ARG A 37 -23.012 -7.584 -7.031 1.00 28.38 N +ANISOU 635 NE ARG A 37 3751 3433 3600 30 -147 89 N +ATOM 636 CZ ARG A 37 -23.254 -7.162 -8.273 1.00 29.14 C +ANISOU 636 CZ ARG A 37 3709 3603 3761 -256 -3 170 C +ATOM 637 NH1 ARG A 37 -22.662 -6.069 -8.740 1.00 28.77 N +ANISOU 637 NH1 ARG A 37 3723 3701 3509 -425 58 470 N +ATOM 638 NH2 ARG A 37 -24.091 -7.833 -9.055 1.00 29.09 N +ANISOU 638 NH2 ARG A 37 3480 3682 3890 -368 169 69 N +ATOM 639 H ARG A 37 -17.150 -5.666 -4.675 1.00 13.31 H +ATOM 640 HA ARG A 37 -18.105 -8.045 -5.543 1.00 12.96 H +ATOM 641 HB2 ARG A 37 -19.860 -6.924 -4.421 1.00 20.23 H +ATOM 642 HB3 ARG A 37 -19.719 -5.718 -5.445 1.00 20.23 H +ATOM 643 HG2 ARG A 37 -20.393 -7.166 -7.200 1.00 27.16 H +ATOM 644 HG3 ARG A 37 -20.603 -8.327 -6.134 1.00 27.16 H +ATOM 645 HD2 ARG A 37 -22.386 -7.147 -5.187 1.00 31.93 H +ATOM 646 HD3 ARG A 37 -22.166 -5.965 -6.226 1.00 31.93 H +ATOM 647 HE ARG A 37 -23.418 -8.294 -6.764 1.00 34.06 H +ATOM 648 HH11 ARG A 37 -22.119 -5.628 -8.241 1.00 34.53 H +ATOM 649 HH12 ARG A 37 -22.823 -5.803 -9.542 1.00 34.53 H +ATOM 650 HH21 ARG A 37 -24.480 -8.541 -8.762 1.00 34.91 H +ATOM 651 HH22 ARG A 37 -24.245 -7.558 -9.856 1.00 34.91 H +ATOM 652 N VAL A 38 -17.770 -7.513 -7.955 1.00 10.04 N +ANISOU 652 N VAL A 38 1825 1216 776 77 165 -44 N +ATOM 653 CA VAL A 38 -17.534 -7.115 -9.330 1.00 11.80 C +ANISOU 653 CA VAL A 38 1864 1554 1066 -51 105 -18 C +ATOM 654 C VAL A 38 -18.266 -8.076 -10.237 1.00 11.18 C +ANISOU 654 C VAL A 38 1556 1857 834 263 -77 223 C +ATOM 655 O VAL A 38 -18.383 -9.265 -9.953 1.00 13.75 O +ANISOU 655 O VAL A 38 1989 1940 1296 -135 50 -156 O +ATOM 656 CB VAL A 38 -16.027 -7.059 -9.646 1.00 13.08 C +ANISOU 656 CB VAL A 38 2052 1842 1074 73 -40 -194 C +ATOM 657 CG1 VAL A 38 -15.434 -8.421 -9.480 1.00 12.34 C +ANISOU 657 CG1 VAL A 38 1715 1616 1357 -205 259 -75 C +ATOM 658 CG2 VAL A 38 -15.793 -6.509 -11.029 1.00 15.50 C +ANISOU 658 CG2 VAL A 38 2501 2046 1340 -262 557 -280 C +ATOM 659 H VAL A 38 -17.878 -8.357 -7.831 1.00 12.06 H +ATOM 660 HA VAL A 38 -17.903 -6.231 -9.481 1.00 14.17 H +ATOM 661 HB VAL A 38 -15.581 -6.458 -9.028 1.00 15.69 H +ATOM 662 HG11 VAL A 38 -14.467 -8.350 -9.513 1.00 14.81 H +ATOM 663 HG12 VAL A 38 -15.710 -8.783 -8.624 1.00 14.81 H +ATOM 664 HG13 VAL A 38 -15.749 -8.992 -10.198 1.00 14.81 H +ATOM 665 HG21 VAL A 38 -14.839 -6.473 -11.198 1.00 18.60 H +ATOM 666 HG22 VAL A 38 -16.222 -7.090 -11.677 1.00 18.60 H +ATOM 667 HG23 VAL A 38 -16.173 -5.618 -11.083 1.00 18.60 H +ATOM 668 N GLU A 39 -18.767 -7.543 -11.345 1.00 14.72 N +ANISOU 668 N GLU A 39 1861 2509 1223 474 268 62 N +ATOM 669 CA GLU A 39 -19.369 -8.381 -12.371 1.00 17.37 C +ANISOU 669 CA GLU A 39 2130 3045 1426 162 -166 -308 C +ATOM 670 C GLU A 39 -18.258 -8.767 -13.326 1.00 19.57 C +ANISOU 670 C GLU A 39 2736 3250 1449 -409 488 -148 C +ATOM 671 O GLU A 39 -17.930 -8.033 -14.267 1.00 24.29 O +ANISOU 671 O GLU A 39 3787 3499 1943 -218 1079 158 O +ATOM 672 CB GLU A 39 -20.488 -7.674 -13.114 1.00 18.41 C +ANISOU 672 CB GLU A 39 2228 3335 1431 115 -107 -614 C +ATOM 673 CG GLU A 39 -21.093 -8.532 -14.194 1.00 24.91 C +ANISOU 673 CG GLU A 39 2843 3769 2853 96 1 -430 C +ATOM 674 CD GLU A 39 -22.077 -7.762 -15.021 1.00 27.19 C +ANISOU 674 CD GLU A 39 2807 4224 3299 191 -486 -185 C +ATOM 675 OE1 GLU A 39 -22.253 -8.106 -16.206 1.00 24.84 O +ANISOU 675 OE1 GLU A 39 2222 4402 2813 8 -62 -131 O +ATOM 676 OE2 GLU A 39 -22.676 -6.806 -14.485 1.00 30.69 O +ANISOU 676 OE2 GLU A 39 3202 4348 4113 467 -692 -81 O +ATOM 677 H GLU A 39 -18.770 -6.701 -11.523 1.00 17.67 H +ATOM 678 HA GLU A 39 -19.752 -9.167 -11.951 1.00 20.85 H +ATOM 679 HB2 GLU A 39 -21.189 -7.443 -12.484 1.00 22.09 H +ATOM 680 HB3 GLU A 39 -20.135 -6.871 -13.528 1.00 22.09 H +ATOM 681 HG2 GLU A 39 -20.390 -8.855 -14.779 1.00 29.89 H +ATOM 682 HG3 GLU A 39 -21.556 -9.281 -13.787 1.00 29.89 H +ATOM 683 N GLY A 40 -17.695 -9.931 -13.085 1.00 20.32 N +ANISOU 683 N GLY A 40 2734 3123 1862 -302 78 -319 N +ATOM 684 CA GLY A 40 -16.730 -10.481 -13.989 1.00 19.36 C +ANISOU 684 CA GLY A 40 2768 2679 1910 -322 122 -643 C +ATOM 685 C GLY A 40 -15.430 -9.727 -13.946 1.00 17.06 C +ANISOU 685 C GLY A 40 2656 2179 1646 -630 445 -607 C +ATOM 686 O GLY A 40 -15.345 -8.577 -13.499 1.00 20.04 O +ANISOU 686 O GLY A 40 2637 2303 2674 -641 982 -1142 O +ATOM 687 H GLY A 40 -17.859 -10.421 -12.398 1.00 24.38 H +ATOM 688 HA2 GLY A 40 -16.558 -11.406 -13.754 1.00 23.24 H +ATOM 689 HA3 GLY A 40 -17.078 -10.444 -14.894 1.00 23.24 H +ATOM 690 N GLY A 41 -14.398 -10.398 -14.406 1.00 16.12 N +ANISOU 690 N GLY A 41 2750 1818 1559 -406 231 -347 N +ATOM 691 CA GLY A 41 -13.092 -9.792 -14.467 1.00 15.91 C +ANISOU 691 CA GLY A 41 2448 1591 2008 -166 502 -306 C +ATOM 692 C GLY A 41 -12.137 -10.730 -15.157 1.00 13.50 C +ANISOU 692 C GLY A 41 2482 1310 1337 137 20 -160 C +ATOM 693 O GLY A 41 -12.441 -11.902 -15.409 1.00 16.58 O +ANISOU 693 O GLY A 41 3150 1412 1739 123 278 -282 O +ATOM 694 H GLY A 41 -14.427 -11.209 -14.691 1.00 19.35 H +ATOM 695 HA2 GLY A 41 -13.134 -8.959 -14.962 1.00 19.10 H +ATOM 696 HA3 GLY A 41 -12.767 -9.610 -13.571 1.00 19.10 H +ATOM 697 N THR A 42 -10.967 -10.184 -15.446 1.00 11.82 N +ANISOU 697 N THR A 42 2143 1375 973 160 99 -99 N +ATOM 698 CA THR A 42 -9.913 -10.939 -16.082 1.00 11.77 C +ANISOU 698 CA THR A 42 2273 1411 790 408 270 136 C +ATOM 699 C THR A 42 -9.201 -11.812 -15.060 1.00 11.11 C +ANISOU 699 C THR A 42 2200 1198 822 141 103 18 C +ATOM 700 O THR A 42 -9.352 -11.668 -13.836 1.00 10.32 O +ANISOU 700 O THR A 42 2006 1185 729 -41 134 50 O +ATOM 701 CB THR A 42 -8.860 -10.006 -16.702 1.00 13.99 C +ANISOU 701 CB THR A 42 2604 1598 1113 536 736 344 C +ATOM 702 OG1 THR A 42 -8.227 -9.256 -15.652 1.00 16.13 O +ANISOU 702 OG1 THR A 42 2440 1729 1959 238 687 626 O +ATOM 703 CG2 THR A 42 -9.499 -9.054 -17.722 1.00 16.14 C +ANISOU 703 CG2 THR A 42 3119 1833 1180 923 639 406 C +ATOM 704 H THR A 42 -10.759 -9.366 -15.280 1.00 14.19 H +ATOM 705 HA THR A 42 -10.314 -11.483 -16.777 1.00 14.13 H +ATOM 706 HB THR A 42 -8.193 -10.529 -17.175 1.00 16.79 H +ATOM 707 HG1 THR A 42 -7.671 -8.718 -15.978 1.00 19.36 H +ATOM 708 HG21 THR A 42 -8.834 -8.434 -18.060 1.00 19.37 H +ATOM 709 HG22 THR A 42 -9.864 -9.559 -18.466 1.00 19.37 H +ATOM 710 HG23 THR A 42 -10.215 -8.550 -17.303 1.00 19.37 H +ATOM 711 N AGLU A 43 -8.395 -12.722 -15.590 0.64 10.59 N +ANISOU 711 N AGLU A 43 2137 1172 715 160 151 0 N +ATOM 712 N BGLU A 43 -8.380 -12.722 -15.585 0.36 11.45 N +ANISOU 712 N BGLU A 43 2226 1234 891 100 13 29 N +ATOM 713 CA AGLU A 43 -7.519 -13.504 -14.741 0.64 11.39 C +ANISOU 713 CA AGLU A 43 2321 1073 934 302 115 -43 C +ATOM 714 CA BGLU A 43 -7.510 -13.516 -14.730 0.36 12.33 C +ANISOU 714 CA BGLU A 43 2389 1216 1080 143 8 62 C +ATOM 715 C AGLU A 43 -6.628 -12.616 -13.888 0.64 9.69 C +ANISOU 715 C AGLU A 43 1710 1126 845 126 131 -99 C +ATOM 716 C BGLU A 43 -6.591 -12.634 -13.896 0.36 10.66 C +ANISOU 716 C BGLU A 43 1903 1250 898 20 136 -93 C +ATOM 717 O AGLU A 43 -6.320 -12.970 -12.748 0.64 9.69 O +ANISOU 717 O AGLU A 43 1748 1188 746 143 4 113 O +ATOM 718 O BGLU A 43 -6.214 -13.017 -12.783 0.36 10.46 O +ANISOU 718 O BGLU A 43 1871 1271 834 7 224 -156 O +ATOM 719 CB AGLU A 43 -6.654 -14.399 -15.612 0.64 11.63 C +ANISOU 719 CB AGLU A 43 2488 991 938 211 74 -313 C +ATOM 720 CB BGLU A 43 -6.674 -14.470 -15.582 0.36 14.03 C +ANISOU 720 CB BGLU A 43 2897 1154 1281 86 -32 28 C +ATOM 721 CG AGLU A 43 -5.643 -15.177 -14.823 0.64 16.19 C +ANISOU 721 CG AGLU A 43 3459 1090 1603 382 -93 -124 C +ATOM 722 CG BGLU A 43 -7.458 -15.622 -16.181 0.36 16.54 C +ANISOU 722 CG BGLU A 43 3499 1176 1611 73 -205 -103 C +ATOM 723 H AGLU A 43 -8.335 -12.903 -16.429 0.64 12.71 H +ATOM 724 H BGLU A 43 -8.308 -12.897 -16.424 0.36 13.75 H +ATOM 725 HA AGLU A 43 -8.057 -14.053 -14.149 0.64 13.67 H +ATOM 726 HA BGLU A 43 -8.060 -14.040 -14.127 0.36 14.80 H +ATOM 727 HB2AGLU A 43 -7.223 -15.032 -16.078 0.64 13.95 H +ATOM 728 HB2BGLU A 43 -6.283 -13.968 -16.314 0.36 16.84 H +ATOM 729 HB3AGLU A 43 -6.176 -13.849 -16.252 0.64 13.95 H +ATOM 730 HB3BGLU A 43 -5.974 -14.848 -15.027 0.36 16.84 H +ATOM 731 HG2AGLU A 43 -5.630 -16.092 -15.144 0.64 19.43 H +ATOM 732 HG2BGLU A 43 -7.358 -16.397 -15.606 0.36 19.85 H +ATOM 733 HG3AGLU A 43 -4.772 -14.767 -14.934 0.64 19.43 H +ATOM 734 HG3BGLU A 43 -8.392 -15.370 -16.235 0.36 19.85 H +ATOM 735 N ARG A 44 -6.205 -11.462 -14.409 1.00 10.46 N +ANISOU 735 N ARG A 44 1852 1320 801 -29 185 -33 N +ATOM 736 CA ARG A 44 -5.339 -10.574 -13.637 1.00 8.99 C +ANISOU 736 CA ARG A 44 1545 1048 821 70 147 31 C +ATOM 737 C ARG A 44 -6.046 -10.077 -12.380 1.00 8.76 C +ANISOU 737 C ARG A 44 1428 1051 848 -18 278 -72 C +ATOM 738 O ARG A 44 -5.482 -10.097 -11.272 1.00 8.98 O +ANISOU 738 O ARG A 44 1427 1267 719 60 105 -164 O +ATOM 739 CB ARG A 44 -4.878 -9.404 -14.507 1.00 10.42 C +ANISOU 739 CB ARG A 44 1675 1155 1129 52 395 -56 C +ATOM 740 CG ARG A 44 -3.955 -9.842 -15.642 1.00 10.56 C +ANISOU 740 CG ARG A 44 1824 1238 949 129 505 -59 C +ATOM 741 CD ARG A 44 -3.677 -8.720 -16.640 1.00 11.42 C +ANISOU 741 CD ARG A 44 2007 1301 1031 192 571 77 C +ATOM 742 NE ARG A 44 -2.956 -7.604 -16.044 1.00 10.85 N +ANISOU 742 NE ARG A 44 1751 1305 1065 163 481 -9 N +ATOM 743 CZ ARG A 44 -1.641 -7.574 -15.865 1.00 12.02 C +ANISOU 743 CZ ARG A 44 1765 1422 1380 207 331 -227 C +ATOM 744 NH1 ARG A 44 -0.884 -8.594 -16.256 1.00 13.34 N +ANISOU 744 NH1 ARG A 44 1833 1705 1531 475 24 -399 N +ATOM 745 NH2 ARG A 44 -1.082 -6.512 -15.305 1.00 13.97 N +ANISOU 745 NH2 ARG A 44 2005 1439 1862 95 306 -393 N +ATOM 746 H ARG A 44 -6.401 -11.174 -15.195 1.00 12.55 H +ATOM 747 HA ARG A 44 -4.551 -11.066 -13.360 1.00 10.79 H +ATOM 748 HB2 ARG A 44 -5.655 -8.977 -14.900 1.00 12.50 H +ATOM 749 HB3 ARG A 44 -4.394 -8.771 -13.954 1.00 12.50 H +ATOM 750 HG2 ARG A 44 -3.106 -10.128 -15.268 1.00 12.67 H +ATOM 751 HG3 ARG A 44 -4.369 -10.575 -16.123 1.00 12.67 H +ATOM 752 HD2 ARG A 44 -3.139 -9.069 -17.368 1.00 13.70 H +ATOM 753 HD3 ARG A 44 -4.520 -8.384 -16.982 1.00 13.70 H +ATOM 754 HE ARG A 44 -3.412 -6.920 -15.791 1.00 13.02 H +ATOM 755 HH11 ARG A 44 -1.246 -9.280 -16.628 1.00 16.01 H +ATOM 756 HH12 ARG A 44 -0.032 -8.568 -16.138 1.00 16.01 H +ATOM 757 HH21 ARG A 44 -1.571 -5.848 -15.059 1.00 16.76 H +ATOM 758 HH22 ARG A 44 -0.231 -6.486 -15.186 1.00 16.76 H +ATOM 759 N LEU A 45 -7.298 -9.643 -12.523 1.00 8.03 N +ANISOU 759 N LEU A 45 1371 943 738 72 90 -31 N +ATOM 760 CA LEU A 45 -8.066 -9.217 -11.357 1.00 8.19 C +ANISOU 760 CA LEU A 45 1385 856 872 92 163 -79 C +ATOM 761 C LEU A 45 -8.321 -10.379 -10.406 1.00 7.61 C +ANISOU 761 C LEU A 45 1295 905 691 44 227 188 C +ATOM 762 O LEU A 45 -8.202 -10.239 -9.186 1.00 7.97 O +ANISOU 762 O LEU A 45 1395 947 688 76 190 11 O +ATOM 763 CB LEU A 45 -9.394 -8.617 -11.807 1.00 9.71 C +ANISOU 763 CB LEU A 45 1640 1022 1027 5 332 279 C +ATOM 764 CG LEU A 45 -10.282 -8.148 -10.652 1.00 10.75 C +ANISOU 764 CG LEU A 45 1696 1035 1352 53 332 327 C +ATOM 765 CD1 LEU A 45 -9.591 -7.119 -9.770 1.00 11.29 C +ANISOU 765 CD1 LEU A 45 1810 1012 1468 141 572 102 C +ATOM 766 CD2 LEU A 45 -11.613 -7.612 -11.178 1.00 13.30 C +ANISOU 766 CD2 LEU A 45 1796 1563 1693 199 343 292 C +ATOM 767 H LEU A 45 -7.720 -9.585 -13.270 1.00 9.64 H +ATOM 768 HA LEU A 45 -7.559 -8.540 -10.882 1.00 9.83 H +ATOM 769 HB2 LEU A 45 -9.213 -7.850 -12.372 1.00 11.65 H +ATOM 770 HB3 LEU A 45 -9.886 -9.288 -12.305 1.00 11.65 H +ATOM 771 HG LEU A 45 -10.464 -8.916 -10.088 1.00 12.90 H +ATOM 772 HD11 LEU A 45 -10.241 -6.740 -9.158 1.00 13.55 H +ATOM 773 HD12 LEU A 45 -8.883 -7.556 -9.272 1.00 13.55 H +ATOM 774 HD13 LEU A 45 -9.219 -6.421 -10.332 1.00 13.55 H +ATOM 775 HD21 LEU A 45 -12.151 -7.313 -10.429 1.00 15.96 H +ATOM 776 HD22 LEU A 45 -11.439 -6.870 -11.778 1.00 15.96 H +ATOM 777 HD23 LEU A 45 -12.073 -8.321 -11.654 1.00 15.96 H +ATOM 778 N LYS A 46 -8.704 -11.528 -10.949 1.00 8.33 N +ANISOU 778 N LYS A 46 1642 807 717 -101 240 -35 N +ATOM 779 CA LYS A 46 -9.037 -12.676 -10.118 1.00 8.90 C +ANISOU 779 CA LYS A 46 1467 815 1102 -20 210 70 C +ATOM 780 C LYS A 46 -7.846 -13.100 -9.277 1.00 8.06 C +ANISOU 780 C LYS A 46 1444 810 807 118 322 19 C +ATOM 781 O LYS A 46 -7.993 -13.366 -8.078 1.00 9.51 O +ANISOU 781 O LYS A 46 1811 1164 640 -50 282 112 O +ATOM 782 CB LYS A 46 -9.540 -13.808 -11.011 1.00 8.91 C +ANISOU 782 CB LYS A 46 1567 810 1007 -23 153 -1 C +ATOM 783 CG LYS A 46 -10.941 -13.560 -11.547 1.00 9.63 C +ANISOU 783 CG LYS A 46 1554 1016 1089 -135 258 -65 C +ATOM 784 CD LYS A 46 -11.296 -14.454 -12.720 1.00 9.34 C +ANISOU 784 CD LYS A 46 1569 1143 838 -79 235 -106 C +ATOM 785 CE LYS A 46 -12.756 -14.277 -13.074 1.00 11.17 C +ANISOU 785 CE LYS A 46 1702 1431 1111 -193 214 -197 C +ATOM 786 NZ LYS A 46 -13.167 -15.107 -14.233 1.00 12.55 N +ANISOU 786 NZ LYS A 46 1778 1751 1241 -220 -31 -268 N +ATOM 787 H LYS A 46 -8.781 -11.672 -11.794 1.00 10.00 H +ATOM 788 HA LYS A 46 -9.750 -12.448 -9.501 1.00 10.69 H +ATOM 789 HB2 LYS A 46 -8.941 -13.901 -11.769 1.00 10.69 H +ATOM 790 HB3 LYS A 46 -9.556 -14.631 -10.498 1.00 10.69 H +ATOM 791 HG2 LYS A 46 -11.583 -13.727 -10.839 1.00 11.56 H +ATOM 792 HG3 LYS A 46 -11.006 -12.639 -11.844 1.00 11.56 H +ATOM 793 HD2 LYS A 46 -10.757 -14.215 -13.490 1.00 11.21 H +ATOM 794 HD3 LYS A 46 -11.142 -15.382 -12.484 1.00 11.21 H +ATOM 795 HE2 LYS A 46 -13.300 -14.534 -12.312 1.00 13.40 H +ATOM 796 HE3 LYS A 46 -12.917 -13.347 -13.297 1.00 13.40 H +ATOM 797 HZ1 LYS A 46 -12.687 -14.887 -14.950 1.00 15.07 H +ATOM 798 HZ2 LYS A 46 -13.037 -15.969 -14.052 1.00 15.07 H +ATOM 799 HZ3 LYS A 46 -14.029 -14.976 -14.411 1.00 15.07 H +ATOM 800 N ARG A 47 -6.649 -13.146 -9.873 1.00 8.68 N +ANISOU 800 N ARG A 47 1605 958 734 160 196 124 N +ATOM 801 CA ARG A 47 -5.482 -13.557 -9.098 1.00 9.59 C +ANISOU 801 CA ARG A 47 1661 1196 786 306 405 26 C +ATOM 802 C ARG A 47 -5.133 -12.518 -8.043 1.00 8.77 C +ANISOU 802 C ARG A 47 1385 1016 932 170 333 -5 C +ATOM 803 O ARG A 47 -4.776 -12.872 -6.917 1.00 9.32 O +ANISOU 803 O ARG A 47 1780 1001 760 198 51 177 O +ATOM 804 CB ARG A 47 -4.300 -13.871 -10.010 1.00 13.26 C +ANISOU 804 CB ARG A 47 2022 1785 1231 349 -53 -199 C +ATOM 805 CG ARG A 47 -3.698 -12.738 -10.773 1.00 18.91 C +ANISOU 805 CG ARG A 47 3233 2238 1713 243 -98 -457 C +ATOM 806 CD ARG A 47 -2.806 -13.325 -11.874 1.00 21.28 C +ANISOU 806 CD ARG A 47 3702 2457 1929 250 -141 -339 C +ATOM 807 NE ARG A 47 -2.075 -12.303 -12.617 1.00 21.05 N +ANISOU 807 NE ARG A 47 3421 2441 2135 294 269 -53 N +ATOM 808 CZ ARG A 47 -1.552 -12.476 -13.827 1.00 24.55 C +ANISOU 808 CZ ARG A 47 4201 2551 2574 592 206 242 C +ATOM 809 NH1 ARG A 47 -1.679 -13.638 -14.448 1.00 25.94 N +ANISOU 809 NH1 ARG A 47 4607 2596 2651 902 846 45 N +ATOM 810 NH2 ARG A 47 -0.904 -11.482 -14.416 1.00 27.59 N +ANISOU 810 NH2 ARG A 47 4750 2694 3039 456 -60 225 N +ATOM 811 H ARG A 47 -6.492 -12.950 -10.696 1.00 10.42 H +ATOM 812 HA ARG A 47 -5.690 -14.383 -8.634 1.00 11.51 H +ATOM 813 HB2 ARG A 47 -3.594 -14.246 -9.461 1.00 15.91 H +ATOM 814 HB3 ARG A 47 -4.595 -14.524 -10.664 1.00 15.91 H +ATOM 815 HG2 ARG A 47 -4.395 -12.201 -11.180 1.00 22.69 H +ATOM 816 HG3 ARG A 47 -3.157 -12.188 -10.184 1.00 22.69 H +ATOM 817 HD2 ARG A 47 -2.157 -13.922 -11.470 1.00 25.54 H +ATOM 818 HD3 ARG A 47 -3.360 -13.813 -12.503 1.00 25.54 H +ATOM 819 HE ARG A 47 -1.975 -11.534 -12.246 1.00 25.26 H +ATOM 820 HH11 ARG A 47 -2.102 -14.284 -14.069 1.00 31.12 H +ATOM 821 HH12 ARG A 47 -1.340 -13.746 -15.231 1.00 31.12 H +ATOM 822 HH21 ARG A 47 -0.822 -10.726 -14.016 1.00 33.11 H +ATOM 823 HH22 ARG A 47 -0.566 -11.594 -15.199 1.00 33.11 H +ATOM 824 N PHE A 48 -5.274 -11.233 -8.368 1.00 8.23 N +ANISOU 824 N PHE A 48 1286 1022 818 170 282 61 N +ATOM 825 CA PHE A 48 -5.007 -10.200 -7.373 1.00 8.34 C +ANISOU 825 CA PHE A 48 1247 1086 837 120 249 115 C +ATOM 826 C PHE A 48 -5.947 -10.345 -6.178 1.00 7.63 C +ANISOU 826 C PHE A 48 1230 921 749 9 142 -35 C +ATOM 827 O PHE A 48 -5.520 -10.263 -5.018 1.00 8.14 O +ANISOU 827 O PHE A 48 1289 1102 702 7 198 -3 O +ATOM 828 CB PHE A 48 -5.161 -8.818 -8.012 1.00 8.72 C +ANISOU 828 CB PHE A 48 1254 1147 910 49 291 86 C +ATOM 829 CG PHE A 48 -4.726 -7.705 -7.112 1.00 8.78 C +ANISOU 829 CG PHE A 48 1315 1008 1013 188 134 173 C +ATOM 830 CD1 PHE A 48 -3.442 -7.198 -7.204 1.00 10.76 C +ANISOU 830 CD1 PHE A 48 1680 1123 1285 60 82 90 C +ATOM 831 CD2 PHE A 48 -5.586 -7.175 -6.168 1.00 9.76 C +ANISOU 831 CD2 PHE A 48 1597 1044 1068 105 263 -41 C +ATOM 832 CE1 PHE A 48 -3.023 -6.175 -6.374 1.00 12.83 C +ANISOU 832 CE1 PHE A 48 1930 1263 1682 -128 48 83 C +ATOM 833 CE2 PHE A 48 -5.168 -6.149 -5.323 1.00 12.29 C +ANISOU 833 CE2 PHE A 48 2099 1214 1355 291 118 36 C +ATOM 834 CZ PHE A 48 -3.885 -5.665 -5.421 1.00 12.72 C +ANISOU 834 CZ PHE A 48 2176 1188 1469 34 27 -15 C +ATOM 835 H PHE A 48 -5.517 -10.939 -9.139 1.00 9.87 H +ATOM 836 HA PHE A 48 -4.095 -10.287 -7.056 1.00 10.02 H +ATOM 837 HB2 PHE A 48 -4.620 -8.781 -8.816 1.00 10.46 H +ATOM 838 HB3 PHE A 48 -6.094 -8.677 -8.233 1.00 10.46 H +ATOM 839 HD1 PHE A 48 -2.854 -7.549 -7.832 1.00 12.91 H +ATOM 840 HD2 PHE A 48 -6.452 -7.506 -6.096 1.00 11.72 H +ATOM 841 HE1 PHE A 48 -2.163 -5.831 -6.456 1.00 15.40 H +ATOM 842 HE2 PHE A 48 -5.754 -5.792 -4.696 1.00 14.75 H +ATOM 843 HZ PHE A 48 -3.596 -4.994 -4.846 1.00 15.27 H +ATOM 844 N LEU A 49 -7.233 -10.585 -6.439 1.00 7.65 N +ANISOU 844 N LEU A 49 1225 898 783 34 144 -119 N +ATOM 845 CA LEU A 49 -8.209 -10.695 -5.362 1.00 7.79 C +ANISOU 845 CA LEU A 49 1234 954 770 -178 278 -41 C +ATOM 846 C LEU A 49 -8.016 -11.971 -4.552 1.00 8.06 C +ANISOU 846 C LEU A 49 1385 921 755 -49 232 0 C +ATOM 847 O LEU A 49 -8.189 -11.956 -3.329 1.00 8.77 O +ANISOU 847 O LEU A 49 1578 1113 643 4 244 133 O +ATOM 848 CB LEU A 49 -9.623 -10.620 -5.939 1.00 8.56 C +ANISOU 848 CB LEU A 49 1296 1220 735 2 402 -9 C +ATOM 849 CG LEU A 49 -10.027 -9.256 -6.499 1.00 10.01 C +ANISOU 849 CG LEU A 49 1474 1197 1131 129 346 263 C +ATOM 850 CD1 LEU A 49 -11.405 -9.336 -7.121 1.00 12.33 C +ANISOU 850 CD1 LEU A 49 1755 1454 1474 93 350 507 C +ATOM 851 CD2 LEU A 49 -9.985 -8.162 -5.456 1.00 11.19 C +ANISOU 851 CD2 LEU A 49 1470 1353 1427 178 304 66 C +ATOM 852 H LEU A 49 -7.564 -10.688 -7.226 1.00 9.18 H +ATOM 853 HA LEU A 49 -8.091 -9.949 -4.753 1.00 9.35 H +ATOM 854 HB2 LEU A 49 -9.692 -11.263 -6.662 1.00 10.27 H +ATOM 855 HB3 LEU A 49 -10.252 -10.843 -5.235 1.00 10.27 H +ATOM 856 HG LEU A 49 -9.381 -9.014 -7.180 1.00 12.01 H +ATOM 857 HD11 LEU A 49 -11.644 -8.464 -7.471 1.00 14.79 H +ATOM 858 HD12 LEU A 49 -11.389 -9.988 -7.839 1.00 14.79 H +ATOM 859 HD13 LEU A 49 -12.043 -9.606 -6.443 1.00 14.79 H +ATOM 860 HD21 LEU A 49 -10.402 -7.364 -5.819 1.00 13.43 H +ATOM 861 HD22 LEU A 49 -10.467 -8.458 -4.668 1.00 13.43 H +ATOM 862 HD23 LEU A 49 -9.060 -7.978 -5.229 1.00 13.43 H +ATOM 863 N GLU A 50 -7.641 -13.078 -5.203 1.00 9.10 N +ANISOU 863 N GLU A 50 1663 1061 736 5 171 205 N +ATOM 864 CA GLU A 50 -7.356 -14.301 -4.461 1.00 9.88 C +ANISOU 864 CA GLU A 50 1722 1170 864 -7 232 -213 C +ATOM 865 C GLU A 50 -6.204 -14.094 -3.491 1.00 9.09 C +ANISOU 865 C GLU A 50 1549 1060 845 77 135 -62 C +ATOM 866 O GLU A 50 -6.257 -14.545 -2.341 1.00 9.84 O +ANISOU 866 O GLU A 50 1914 1128 698 108 131 157 O +ATOM 867 CB GLU A 50 -6.989 -15.420 -5.429 1.00 15.24 C +ANISOU 867 CB GLU A 50 2394 1645 1751 50 489 866 C +ATOM 868 CG GLU A 50 -8.127 -15.987 -6.230 1.00 22.02 C +ANISOU 868 CG GLU A 50 3078 2518 2771 -24 492 868 C +ATOM 869 CD GLU A 50 -7.676 -17.152 -7.091 1.00 27.70 C +ANISOU 869 CD GLU A 50 3778 3216 3530 -53 99 40 C +ATOM 870 OE1 GLU A 50 -6.537 -17.636 -6.896 1.00 29.35 O +ANISOU 870 OE1 GLU A 50 4158 3140 3852 51 388 -551 O +ATOM 871 OE2 GLU A 50 -8.460 -17.590 -7.954 1.00 30.80 O +ANISOU 871 OE2 GLU A 50 4190 3652 3861 -331 113 -243 O +ATOM 872 H GLU A 50 -7.546 -13.144 -6.055 1.00 10.93 H +ATOM 873 HA GLU A 50 -8.152 -14.553 -3.967 1.00 11.86 H +ATOM 874 HB2 GLU A 50 -6.336 -15.075 -6.059 1.00 18.29 H +ATOM 875 HB3 GLU A 50 -6.604 -16.149 -4.918 1.00 18.29 H +ATOM 876 HG2 GLU A 50 -8.818 -16.303 -5.627 1.00 26.43 H +ATOM 877 HG3 GLU A 50 -8.485 -15.298 -6.812 1.00 26.43 H +ATOM 878 N GLU A 51 -5.146 -13.427 -3.951 1.00 9.17 N +ANISOU 878 N GLU A 51 1580 1082 822 40 126 -55 N +ATOM 879 CA GLU A 51 -3.977 -13.177 -3.117 1.00 9.87 C +ANISOU 879 CA GLU A 51 1631 1208 913 -8 232 53 C +ATOM 880 C GLU A 51 -4.309 -12.212 -1.986 1.00 9.30 C +ANISOU 880 C GLU A 51 1648 1092 792 44 145 48 C +ATOM 881 O GLU A 51 -3.883 -12.411 -0.840 1.00 10.08 O +ANISOU 881 O GLU A 51 1610 1367 852 139 38 -75 O +ATOM 882 CB GLU A 51 -2.842 -12.649 -4.002 1.00 11.74 C +ANISOU 882 CB GLU A 51 1582 1692 1188 -52 154 -130 C +ATOM 883 CG GLU A 51 -2.181 -13.722 -4.861 1.00 17.04 C +ANISOU 883 CG GLU A 51 2299 2194 1981 156 181 61 C +ATOM 884 H GLU A 51 -5.078 -13.106 -4.747 1.00 11.01 H +ATOM 885 HA GLU A 51 -3.675 -14.001 -2.705 1.00 11.85 H +ATOM 886 HB2 GLU A 51 -3.200 -11.972 -4.597 1.00 14.09 H +ATOM 887 HB3 GLU A 51 -2.158 -12.262 -3.433 1.00 14.09 H +ATOM 888 HG2 GLU A 51 -2.836 -14.407 -5.071 1.00 20.45 H +ATOM 889 HG3 GLU A 51 -1.851 -13.317 -5.679 1.00 20.45 H +ATOM 890 N LEU A 52 -5.083 -11.169 -2.282 1.00 9.23 N +ANISOU 890 N LEU A 52 1612 1218 678 106 189 18 N +ATOM 891 CA LEU A 52 -5.501 -10.237 -1.239 1.00 9.18 C +ANISOU 891 CA LEU A 52 1499 1033 958 -7 178 -33 C +ATOM 892 C LEU A 52 -6.310 -10.947 -0.159 1.00 8.27 C +ANISOU 892 C LEU A 52 1699 894 551 51 295 140 C +ATOM 893 O LEU A 52 -6.071 -10.762 1.042 1.00 9.71 O +ANISOU 893 O LEU A 52 1721 1199 769 24 165 100 O +ATOM 894 CB LEU A 52 -6.322 -9.119 -1.873 1.00 10.43 C +ANISOU 894 CB LEU A 52 1790 1104 1070 204 361 56 C +ATOM 895 CG LEU A 52 -6.914 -8.095 -0.919 1.00 13.15 C +ANISOU 895 CG LEU A 52 2602 1196 1199 281 642 -243 C +ATOM 896 CD1 LEU A 52 -5.831 -7.385 -0.121 1.00 17.11 C +ANISOU 896 CD1 LEU A 52 3202 1268 2030 -27 578 -490 C +ATOM 897 CD2 LEU A 52 -7.733 -7.109 -1.722 1.00 14.60 C +ANISOU 897 CD2 LEU A 52 2942 1243 1362 588 747 109 C +ATOM 898 H LEU A 52 -5.376 -10.979 -3.068 1.00 11.08 H +ATOM 899 HA LEU A 52 -4.717 -9.852 -0.818 1.00 11.02 H +ATOM 900 HB2 LEU A 52 -5.750 -8.637 -2.491 1.00 12.52 H +ATOM 901 HB3 LEU A 52 -7.062 -9.523 -2.353 1.00 12.52 H +ATOM 902 HG LEU A 52 -7.484 -8.537 -0.271 1.00 15.78 H +ATOM 903 HD11 LEU A 52 -6.234 -6.663 0.386 1.00 20.53 H +ATOM 904 HD12 LEU A 52 -5.415 -8.021 0.482 1.00 20.53 H +ATOM 905 HD13 LEU A 52 -5.169 -7.029 -0.734 1.00 20.53 H +ATOM 906 HD21 LEU A 52 -8.120 -6.455 -1.120 1.00 17.52 H +ATOM 907 HD22 LEU A 52 -7.155 -6.667 -2.364 1.00 17.52 H +ATOM 908 HD23 LEU A 52 -8.437 -7.588 -2.187 1.00 17.52 H +ATOM 909 N ARG A 53 -7.277 -11.766 -0.570 1.00 8.51 N +ANISOU 909 N ARG A 53 1570 961 702 -28 133 -50 N +ATOM 910 CA ARG A 53 -8.087 -12.495 0.396 1.00 8.35 C +ANISOU 910 CA ARG A 53 1564 917 691 -29 71 -74 C +ATOM 911 C ARG A 53 -7.225 -13.410 1.257 1.00 9.38 C +ANISOU 911 C ARG A 53 1760 950 853 33 140 108 C +ATOM 912 O ARG A 53 -7.393 -13.461 2.478 1.00 9.38 O +ANISOU 912 O ARG A 53 1662 1182 720 -105 158 112 O +ATOM 913 CB ARG A 53 -9.179 -13.279 -0.333 1.00 9.35 C +ANISOU 913 CB ARG A 53 1698 1085 769 -90 206 60 C +ATOM 914 CG ARG A 53 -10.001 -14.146 0.613 1.00 9.55 C +ANISOU 914 CG ARG A 53 1546 1237 846 -226 41 35 C +ATOM 915 CD ARG A 53 -11.222 -14.736 -0.040 1.00 9.68 C +ANISOU 915 CD ARG A 53 1537 1171 972 -38 152 -97 C +ATOM 916 NE ARG A 53 -10.835 -15.722 -1.044 1.00 9.94 N +ANISOU 916 NE ARG A 53 1587 1048 1140 -93 -12 -31 N +ATOM 917 CZ ARG A 53 -11.680 -16.321 -1.873 1.00 10.10 C +ANISOU 917 CZ ARG A 53 1842 1053 944 -60 256 -105 C +ATOM 918 NH1 ARG A 53 -12.970 -16.043 -1.841 1.00 10.73 N +ANISOU 918 NH1 ARG A 53 1833 1250 993 -51 159 -150 N +ATOM 919 NH2 ARG A 53 -11.227 -17.209 -2.742 1.00 11.89 N +ANISOU 919 NH2 ARG A 53 1973 1284 1261 55 54 -178 N +ATOM 920 H ARG A 53 -7.483 -11.915 -1.392 1.00 10.21 H +ATOM 921 HA ARG A 53 -8.523 -11.865 0.990 1.00 10.02 H +ATOM 922 HB2 ARG A 53 -9.780 -12.654 -0.769 1.00 11.22 H +ATOM 923 HB3 ARG A 53 -8.767 -13.858 -0.992 1.00 11.22 H +ATOM 924 HG2 ARG A 53 -9.449 -14.878 0.930 1.00 11.46 H +ATOM 925 HG3 ARG A 53 -10.295 -13.604 1.362 1.00 11.46 H +ATOM 926 HD2 ARG A 53 -11.769 -15.174 0.630 1.00 11.62 H +ATOM 927 HD3 ARG A 53 -11.730 -14.033 -0.475 1.00 11.62 H +ATOM 928 HE ARG A 53 -10.003 -15.929 -1.102 1.00 11.93 H +ATOM 929 HH11 ARG A 53 -13.271 -15.467 -1.278 1.00 12.87 H +ATOM 930 HH12 ARG A 53 -13.509 -16.437 -2.383 1.00 12.87 H +ATOM 931 HH21 ARG A 53 -10.388 -17.396 -2.768 1.00 14.27 H +ATOM 932 HH22 ARG A 53 -11.772 -17.600 -3.281 1.00 14.27 H +ATOM 933 N GLN A 54 -6.278 -14.120 0.645 1.00 9.12 N +ANISOU 933 N GLN A 54 1680 988 797 223 73 70 N +ATOM 934 CA GLN A 54 -5.447 -15.036 1.423 1.00 10.08 C +ANISOU 934 CA GLN A 54 1810 1075 944 371 190 83 C +ATOM 935 C GLN A 54 -4.622 -14.283 2.460 1.00 10.15 C +ANISOU 935 C GLN A 54 1628 1295 934 316 67 -8 C +ATOM 936 O GLN A 54 -4.512 -14.709 3.621 1.00 11.32 O +ANISOU 936 O GLN A 54 1929 1415 956 191 -62 187 O +ATOM 937 CB GLN A 54 -4.547 -15.805 0.468 1.00 12.57 C +ANISOU 937 CB GLN A 54 2309 1281 1185 440 66 49 C +ATOM 938 CG GLN A 54 -3.833 -16.959 1.097 1.00 17.71 C +ANISOU 938 CG GLN A 54 2942 2113 1675 597 -74 41 C +ATOM 939 CD GLN A 54 -3.137 -17.793 0.059 1.00 26.43 C +ANISOU 939 CD GLN A 54 4296 2781 2965 843 44 -44 C +ATOM 940 OE1 GLN A 54 -3.784 -18.435 -0.764 1.00 27.66 O +ANISOU 940 OE1 GLN A 54 5007 2902 2601 1022 -315 -309 O +ATOM 941 NE2 GLN A 54 -1.811 -17.774 0.074 1.00 32.38 N +ANISOU 941 NE2 GLN A 54 4964 3219 4121 540 439 -17 N +ATOM 942 H GLN A 54 -6.098 -14.092 -0.196 1.00 10.94 H +ATOM 943 HA GLN A 54 -6.008 -15.667 1.901 1.00 12.10 H +ATOM 944 HB2 GLN A 54 -5.090 -16.155 -0.256 1.00 15.08 H +ATOM 945 HB3 GLN A 54 -3.876 -15.199 0.117 1.00 15.08 H +ATOM 946 HG2 GLN A 54 -3.168 -16.625 1.719 1.00 21.26 H +ATOM 947 HG3 GLN A 54 -4.472 -17.519 1.564 1.00 21.26 H +ATOM 948 HE21 GLN A 54 -1.395 -17.300 0.657 1.00 38.86 H +ATOM 949 HE22 GLN A 54 -1.369 -18.236 -0.501 1.00 38.86 H +ATOM 950 N LYS A 55 -4.045 -13.155 2.060 1.00 10.37 N +ANISOU 950 N LYS A 55 1527 1326 1087 180 -1 131 N +ATOM 951 CA LYS A 55 -3.208 -12.371 2.957 1.00 11.06 C +ANISOU 951 CA LYS A 55 1499 1524 1178 121 -31 -29 C +ATOM 952 C LYS A 55 -4.010 -11.836 4.136 1.00 10.41 C +ANISOU 952 C LYS A 55 1772 1250 934 229 78 -43 C +ATOM 953 O LYS A 55 -3.538 -11.859 5.278 1.00 12.54 O +ANISOU 953 O LYS A 55 2103 1588 1073 154 -216 43 O +ATOM 954 CB LYS A 55 -2.603 -11.216 2.158 1.00 14.34 C +ANISOU 954 CB LYS A 55 1787 1998 1661 -358 348 -210 C +ATOM 955 CG LYS A 55 -1.641 -10.326 2.909 1.00 19.24 C +ANISOU 955 CG LYS A 55 2848 2223 2238 -686 339 236 C +ATOM 956 H LYS A 55 -4.122 -12.818 1.273 1.00 12.45 H +ATOM 957 HA LYS A 55 -2.497 -12.925 3.315 1.00 13.27 H +ATOM 958 HB2 LYS A 55 -2.119 -11.589 1.405 1.00 17.20 H +ATOM 959 HB3 LYS A 55 -3.327 -10.654 1.842 1.00 17.20 H +ATOM 960 N LEU A 56 -5.234 -11.366 3.890 1.00 9.29 N +ANISOU 960 N LEU A 56 1784 1025 720 184 68 -180 N +ATOM 961 CA LEU A 56 -6.035 -10.780 4.959 1.00 9.99 C +ANISOU 961 CA LEU A 56 1866 1048 882 27 -10 57 C +ATOM 962 C LEU A 56 -6.693 -11.844 5.834 1.00 9.47 C +ANISOU 962 C LEU A 56 1916 1058 623 77 9 145 C +ATOM 963 O LEU A 56 -6.787 -11.672 7.055 1.00 10.40 O +ANISOU 963 O LEU A 56 2140 1182 629 -25 57 -3 O +ATOM 964 CB LEU A 56 -7.085 -9.831 4.378 1.00 10.73 C +ANISOU 964 CB LEU A 56 2069 1053 957 -71 274 -30 C +ATOM 965 CG LEU A 56 -6.516 -8.521 3.839 1.00 13.31 C +ANISOU 965 CG LEU A 56 2458 1203 1395 -139 144 98 C +ATOM 966 CD1 LEU A 56 -7.596 -7.686 3.150 1.00 13.86 C +ANISOU 966 CD1 LEU A 56 2428 1134 1705 392 550 140 C +ATOM 967 CD2 LEU A 56 -5.846 -7.689 4.912 1.00 17.44 C +ANISOU 967 CD2 LEU A 56 3015 1598 2014 -546 -153 209 C +ATOM 968 H LEU A 56 -5.620 -11.375 3.122 1.00 11.15 H +ATOM 969 HA LEU A 56 -5.448 -10.258 5.528 1.00 11.99 H +ATOM 970 HB2 LEU A 56 -7.536 -10.280 3.645 1.00 12.88 H +ATOM 971 HB3 LEU A 56 -7.723 -9.611 5.075 1.00 12.88 H +ATOM 972 HG LEU A 56 -5.839 -8.763 3.188 1.00 15.97 H +ATOM 973 HD11 LEU A 56 -7.183 -6.905 2.749 1.00 16.64 H +ATOM 974 HD12 LEU A 56 -8.022 -8.224 2.465 1.00 16.64 H +ATOM 975 HD13 LEU A 56 -8.251 -7.411 3.810 1.00 16.64 H +ATOM 976 HD21 LEU A 56 -6.043 -6.752 4.755 1.00 20.93 H +ATOM 977 HD22 LEU A 56 -6.187 -7.958 5.779 1.00 20.93 H +ATOM 978 HD23 LEU A 56 -4.888 -7.836 4.873 1.00 20.93 H +ATOM 979 N GLU A 57 -7.155 -12.951 5.250 1.00 9.90 N +ANISOU 979 N GLU A 57 1927 1127 709 -133 147 -79 N +ATOM 980 CA GLU A 57 -7.726 -14.004 6.078 1.00 10.20 C +ANISOU 980 CA GLU A 57 2026 974 876 -12 47 90 C +ATOM 981 C GLU A 57 -6.690 -14.560 7.045 1.00 10.62 C +ANISOU 981 C GLU A 57 2010 1187 840 228 -87 28 C +ATOM 982 O GLU A 57 -7.035 -14.941 8.167 1.00 12.04 O +ANISOU 982 O GLU A 57 2300 1466 809 12 -96 284 O +ATOM 983 CB GLU A 57 -8.312 -15.103 5.194 1.00 11.02 C +ANISOU 983 CB GLU A 57 2268 939 980 -52 240 125 C +ATOM 984 CG GLU A 57 -9.640 -14.728 4.548 1.00 11.39 C +ANISOU 984 CG GLU A 57 2225 1200 903 46 204 109 C +ATOM 985 CD GLU A 57 -10.264 -15.856 3.749 1.00 12.79 C +ANISOU 985 CD GLU A 57 2006 1533 1321 161 71 -237 C +ATOM 986 OE1 GLU A 57 -9.595 -16.884 3.542 1.00 16.12 O +ANISOU 986 OE1 GLU A 57 2199 1721 2204 309 -313 -603 O +ATOM 987 OE2 GLU A 57 -11.437 -15.728 3.344 1.00 12.48 O +ANISOU 987 OE2 GLU A 57 1974 1652 1115 5 249 -260 O +ATOM 988 H GLU A 57 -7.149 -13.111 4.405 1.00 11.89 H +ATOM 989 HA GLU A 57 -8.457 -13.645 6.605 1.00 12.24 H +ATOM 990 HB2 GLU A 57 -7.682 -15.301 4.484 1.00 13.23 H +ATOM 991 HB3 GLU A 57 -8.459 -15.894 5.736 1.00 13.23 H +ATOM 992 HG2 GLU A 57 -10.267 -14.476 5.244 1.00 13.67 H +ATOM 993 HG3 GLU A 57 -9.495 -13.982 3.945 1.00 13.67 H +ATOM 994 N LYS A 58 -5.415 -14.589 6.647 1.00 11.51 N +ANISOU 994 N LYS A 58 2265 1295 814 459 -13 72 N +ATOM 995 CA LYS A 58 -4.371 -15.076 7.539 1.00 12.71 C +ANISOU 995 CA LYS A 58 2072 1593 1163 511 -29 -42 C +ATOM 996 C LYS A 58 -4.246 -14.212 8.781 1.00 12.48 C +ANISOU 996 C LYS A 58 2214 1735 793 342 70 66 C +ATOM 997 O LYS A 58 -3.788 -14.689 9.822 1.00 15.45 O +ANISOU 997 O LYS A 58 2778 2010 1081 628 -24 66 O +ATOM 998 CB LYS A 58 -3.033 -15.096 6.807 1.00 18.15 C +ANISOU 998 CB LYS A 58 2641 2113 2141 1147 177 -409 C +ATOM 999 CG LYS A 58 -1.881 -15.562 7.662 1.00 22.09 C +ANISOU 999 CG LYS A 58 2947 2649 2799 1159 -79 -153 C +ATOM 1000 H LYS A 58 -5.133 -14.335 5.875 1.00 13.82 H +ATOM 1001 HA LYS A 58 -4.597 -15.979 7.811 1.00 15.25 H +ATOM 1002 HB2 LYS A 58 -3.101 -15.697 6.049 1.00 21.78 H +ATOM 1003 HB3 LYS A 58 -2.831 -14.198 6.501 1.00 21.78 H +ATOM 1004 N LYS A 59 -4.611 -12.942 8.681 1.00 10.96 N +ANISOU 1004 N LYS A 59 1724 1628 813 336 -6 25 N +ATOM 1005 CA LYS A 59 -4.587 -12.019 9.803 1.00 11.62 C +ANISOU 1005 CA LYS A 59 1635 1772 1007 151 -51 -141 C +ATOM 1006 C LYS A 59 -5.907 -11.982 10.559 1.00 10.66 C +ANISOU 1006 C LYS A 59 1610 1648 793 242 -92 21 C +ATOM 1007 O LYS A 59 -6.022 -11.231 11.533 1.00 11.65 O +ANISOU 1007 O LYS A 59 1718 1745 964 315 112 -229 O +ATOM 1008 CB LYS A 59 -4.229 -10.623 9.298 1.00 13.24 C +ANISOU 1008 CB LYS A 59 1720 1892 1420 -127 425 -503 C +ATOM 1009 CG LYS A 59 -2.833 -10.549 8.716 1.00 15.95 C +ANISOU 1009 CG LYS A 59 2190 2041 1828 -444 516 -581 C +ATOM 1010 CD LYS A 59 -2.488 -9.150 8.221 1.00 19.02 C +ANISOU 1010 CD LYS A 59 2460 2032 2736 -533 356 -569 C +ATOM 1011 H LYS A 59 -4.885 -12.582 7.950 1.00 13.15 H +ATOM 1012 HA LYS A 59 -3.904 -12.294 10.434 1.00 13.94 H +ATOM 1013 HB2 LYS A 59 -4.857 -10.367 8.604 1.00 15.89 H +ATOM 1014 HB3 LYS A 59 -4.279 -9.997 10.037 1.00 15.89 H +ATOM 1015 HG2 LYS A 59 -2.190 -10.795 9.400 1.00 19.14 H +ATOM 1016 HG3 LYS A 59 -2.769 -11.160 7.965 1.00 19.14 H +ATOM 1017 N GLY A 60 -6.891 -12.779 10.155 1.00 10.82 N +ANISOU 1017 N GLY A 60 1579 1701 830 202 204 202 N +ATOM 1018 CA GLY A 60 -8.150 -12.851 10.866 1.00 11.26 C +ANISOU 1018 CA GLY A 60 1651 1648 981 424 -20 128 C +ATOM 1019 C GLY A 60 -9.234 -11.922 10.372 1.00 11.00 C +ANISOU 1019 C GLY A 60 1558 1719 900 264 315 102 C +ATOM 1020 O GLY A 60 -10.311 -11.879 10.981 1.00 12.52 O +ANISOU 1020 O GLY A 60 1959 1874 924 177 164 332 O +ATOM 1021 H GLY A 60 -6.848 -13.291 9.465 1.00 12.98 H +ATOM 1022 HA2 GLY A 60 -8.489 -13.757 10.799 1.00 13.52 H +ATOM 1023 HA3 GLY A 60 -7.989 -12.642 11.799 1.00 13.52 H +ATOM 1024 N TYR A 61 -9.004 -11.198 9.278 1.00 9.93 N +ANISOU 1024 N TYR A 61 1460 1606 708 197 104 78 N +ATOM 1025 CA TYR A 61 -10.051 -10.372 8.703 1.00 10.09 C +ANISOU 1025 CA TYR A 61 1515 1519 801 125 46 141 C +ATOM 1026 C TYR A 61 -11.067 -11.248 7.980 1.00 10.11 C +ANISOU 1026 C TYR A 61 1536 1523 781 207 169 60 C +ATOM 1027 O TYR A 61 -10.746 -12.329 7.484 1.00 11.61 O +ANISOU 1027 O TYR A 61 1639 1598 1175 236 261 8 O +ATOM 1028 CB TYR A 61 -9.461 -9.365 7.710 1.00 10.36 C +ANISOU 1028 CB TYR A 61 1837 1398 700 169 327 316 C +ATOM 1029 CG TYR A 61 -8.560 -8.356 8.368 1.00 10.69 C +ANISOU 1029 CG TYR A 61 1784 1424 855 3 351 230 C +ATOM 1030 CD1 TYR A 61 -9.090 -7.242 9.020 1.00 11.07 C +ANISOU 1030 CD1 TYR A 61 1879 1327 999 138 506 186 C +ATOM 1031 CD2 TYR A 61 -7.188 -8.535 8.388 1.00 11.79 C +ANISOU 1031 CD2 TYR A 61 1996 1395 1090 -54 532 18 C +ATOM 1032 CE1 TYR A 61 -8.276 -6.325 9.640 1.00 11.44 C +ANISOU 1032 CE1 TYR A 61 2015 1169 1163 24 529 158 C +ATOM 1033 CE2 TYR A 61 -6.365 -7.619 9.013 1.00 12.88 C +ANISOU 1033 CE2 TYR A 61 2051 1338 1505 -210 280 -127 C +ATOM 1034 CZ TYR A 61 -6.917 -6.526 9.651 1.00 12.60 C +ANISOU 1034 CZ TYR A 61 2122 1202 1464 -132 700 -17 C +ATOM 1035 OH TYR A 61 -6.095 -5.622 10.272 1.00 15.70 O +ANISOU 1035 OH TYR A 61 2471 1461 2033 -348 865 -454 O +ATOM 1036 H TYR A 61 -8.255 -11.171 8.856 1.00 11.92 H +ATOM 1037 HA TYR A 61 -10.499 -9.880 9.408 1.00 12.11 H +ATOM 1038 HB2 TYR A 61 -8.941 -9.844 7.046 1.00 12.43 H +ATOM 1039 HB3 TYR A 61 -10.186 -8.885 7.280 1.00 12.43 H +ATOM 1040 HD1 TYR A 61 -10.012 -7.117 9.034 1.00 13.28 H +ATOM 1041 HD2 TYR A 61 -6.816 -9.281 7.976 1.00 14.15 H +ATOM 1042 HE1 TYR A 61 -8.641 -5.575 10.050 1.00 13.73 H +ATOM 1043 HE2 TYR A 61 -5.443 -7.738 9.005 1.00 15.46 H +ATOM 1044 HH TYR A 61 -6.553 -5.013 10.626 1.00 18.84 H +ATOM 1045 N THR A 62 -12.305 -10.775 7.928 1.00 9.89 N +ANISOU 1045 N THR A 62 1553 1260 944 200 115 -1 N +ATOM 1046 CA THR A 62 -13.312 -11.380 7.069 1.00 9.51 C +ANISOU 1046 CA THR A 62 1556 1161 897 79 61 23 C +ATOM 1047 C THR A 62 -13.236 -10.706 5.708 1.00 8.80 C +ANISOU 1047 C THR A 62 1393 1054 896 94 56 -8 C +ATOM 1048 O THR A 62 -13.222 -9.474 5.623 1.00 9.65 O +ANISOU 1048 O THR A 62 1834 1079 755 159 190 -22 O +ATOM 1049 CB THR A 62 -14.702 -11.214 7.674 1.00 11.04 C +ANISOU 1049 CB THR A 62 1452 1451 1292 -113 37 4 C +ATOM 1050 OG1 THR A 62 -14.733 -11.873 8.946 1.00 12.75 O +ANISOU 1050 OG1 THR A 62 1771 1984 1090 -123 203 355 O +ATOM 1051 CG2 THR A 62 -15.759 -11.804 6.747 1.00 12.28 C +ANISOU 1051 CG2 THR A 62 1758 1270 1637 43 215 -148 C +ATOM 1052 H THR A 62 -12.587 -10.103 8.384 1.00 11.87 H +ATOM 1053 HA THR A 62 -13.150 -12.331 6.967 1.00 11.41 H +ATOM 1054 HB THR A 62 -14.908 -10.273 7.794 1.00 13.25 H +ATOM 1055 HG1 THR A 62 -15.485 -11.768 9.305 1.00 15.30 H +ATOM 1056 HG21 THR A 62 -16.621 -11.814 7.191 1.00 14.73 H +ATOM 1057 HG22 THR A 62 -15.827 -11.271 5.939 1.00 14.73 H +ATOM 1058 HG23 THR A 62 -15.519 -12.712 6.505 1.00 14.73 H +ATOM 1059 N VAL A 63 -13.164 -11.510 4.650 1.00 9.27 N +ANISOU 1059 N VAL A 63 1538 1007 976 178 -2 34 N +ATOM 1060 CA VAL A 63 -13.029 -10.997 3.289 1.00 10.31 C +ANISOU 1060 CA VAL A 63 1620 1370 926 267 32 -44 C +ATOM 1061 C VAL A 63 -14.076 -11.680 2.422 1.00 9.94 C +ANISOU 1061 C VAL A 63 1662 1152 962 231 240 11 C +ATOM 1062 O VAL A 63 -14.005 -12.897 2.196 1.00 11.58 O +ANISOU 1062 O VAL A 63 2145 1157 1100 295 -126 -211 O +ATOM 1063 CB VAL A 63 -11.622 -11.201 2.720 1.00 11.85 C +ANISOU 1063 CB VAL A 63 1610 2117 775 436 107 -39 C +ATOM 1064 CG1 VAL A 63 -11.537 -10.568 1.343 1.00 13.58 C +ANISOU 1064 CG1 VAL A 63 1674 2347 1137 365 336 -72 C +ATOM 1065 CG2 VAL A 63 -10.576 -10.613 3.649 1.00 13.64 C +ANISOU 1065 CG2 VAL A 63 1642 2332 1207 525 96 39 C +ATOM 1066 H VAL A 63 -13.192 -12.368 4.699 1.00 11.12 H +ATOM 1067 HA VAL A 63 -13.220 -10.046 3.293 1.00 12.37 H +ATOM 1068 HB VAL A 63 -11.441 -12.150 2.641 1.00 14.22 H +ATOM 1069 HG11 VAL A 63 -10.616 -10.592 1.040 1.00 16.29 H +ATOM 1070 HG12 VAL A 63 -12.100 -11.067 0.731 1.00 16.29 H +ATOM 1071 HG13 VAL A 63 -11.843 -9.649 1.398 1.00 16.29 H +ATOM 1072 HG21 VAL A 63 -9.700 -10.727 3.249 1.00 16.36 H +ATOM 1073 HG22 VAL A 63 -10.762 -9.670 3.777 1.00 16.36 H +ATOM 1074 HG23 VAL A 63 -10.614 -11.076 4.500 1.00 16.36 H +ATOM 1075 N AASP A 64 -15.046 -10.898 1.956 0.69 9.44 N +ANISOU 1075 N AASP A 64 1606 1148 833 6 219 72 N +ATOM 1076 N BASP A 64 -15.042 -10.897 1.941 0.31 10.12 N +ANISOU 1076 N BASP A 64 1658 1195 993 98 232 57 N +ATOM 1077 CA AASP A 64 -16.162 -11.398 1.161 0.69 9.53 C +ANISOU 1077 CA AASP A 64 1416 1165 1040 49 66 35 C +ATOM 1078 CA BASP A 64 -16.183 -11.388 1.168 0.31 11.10 C +ANISOU 1078 CA BASP A 64 1749 1268 1201 44 191 54 C +ATOM 1079 C AASP A 64 -15.976 -10.869 -0.254 0.69 10.52 C +ANISOU 1079 C AASP A 64 2045 1033 919 23 115 -25 C +ATOM 1080 C BASP A 64 -16.010 -10.875 -0.258 0.31 10.97 C +ANISOU 1080 C BASP A 64 1993 1185 992 24 163 53 C +ATOM 1081 O AASP A 64 -16.231 -9.692 -0.528 0.69 12.66 O +ANISOU 1081 O AASP A 64 2855 920 1034 137 19 91 O +ATOM 1082 O BASP A 64 -16.308 -9.713 -0.548 0.31 11.98 O +ANISOU 1082 O BASP A 64 2352 1145 1057 65 270 130 O +ATOM 1083 CB AASP A 64 -17.502 -10.944 1.727 0.69 12.65 C +ANISOU 1083 CB AASP A 64 1790 1558 1459 132 339 140 C +ATOM 1084 CB BASP A 64 -17.484 -10.877 1.786 0.31 13.68 C +ANISOU 1084 CB BASP A 64 1977 1519 1701 -12 503 133 C +ATOM 1085 CG AASP A 64 -17.842 -11.617 3.033 0.69 15.56 C +ANISOU 1085 CG AASP A 64 2079 1999 1836 64 646 74 C +ATOM 1086 CG BASP A 64 -18.730 -11.456 1.125 0.31 16.05 C +ANISOU 1086 CG BASP A 64 2102 1820 2176 -145 815 346 C +ATOM 1087 OD1AASP A 64 -17.460 -12.790 3.230 0.69 17.24 O +ANISOU 1087 OD1AASP A 64 2232 2269 2050 279 915 147 O +ATOM 1088 OD1BASP A 64 -18.643 -11.949 -0.019 0.31 17.46 O +ANISOU 1088 OD1BASP A 64 2291 1922 2422 -426 463 618 O +ATOM 1089 OD2AASP A 64 -18.499 -10.969 3.865 0.69 19.90 O +ANISOU 1089 OD2AASP A 64 3324 2131 2108 -221 1035 67 O +ATOM 1090 OD2BASP A 64 -19.809 -11.406 1.759 0.31 18.73 O +ANISOU 1090 OD2BASP A 64 2593 2042 2480 243 995 278 O +ATOM 1091 H AASP A 64 -15.078 -10.050 2.093 0.69 11.33 H +ATOM 1092 H BASP A 64 -15.057 -10.045 2.057 0.31 12.15 H +ATOM 1093 HA AASP A 64 -16.143 -12.368 1.160 0.69 11.43 H +ATOM 1094 HA BASP A 64 -16.197 -12.358 1.155 0.31 13.32 H +ATOM 1095 HB2AASP A 64 -17.471 -9.987 1.881 0.69 15.19 H +ATOM 1096 HB2BASP A 64 -17.504 -11.122 2.724 0.31 16.41 H +ATOM 1097 HB3AASP A 64 -18.202 -11.155 1.089 0.69 15.19 H +ATOM 1098 HB3BASP A 64 -17.519 -9.913 1.694 0.31 16.41 H +ATOM 1099 N ILE A 65 -15.534 -11.745 -1.147 1.00 10.07 N +ANISOU 1099 N ILE A 65 1891 1202 733 6 168 90 N +ATOM 1100 CA ILE A 65 -15.314 -11.410 -2.547 1.00 11.02 C +ANISOU 1100 CA ILE A 65 2040 1357 793 -140 52 124 C +ATOM 1101 C ILE A 65 -16.369 -12.137 -3.367 1.00 11.04 C +ANISOU 1101 C ILE A 65 2073 1236 887 -169 132 -18 C +ATOM 1102 O ILE A 65 -16.500 -13.357 -3.266 1.00 12.81 O +ANISOU 1102 O ILE A 65 2448 1115 1305 -303 173 -77 O +ATOM 1103 CB ILE A 65 -13.930 -11.870 -3.033 1.00 15.14 C +ANISOU 1103 CB ILE A 65 2479 2411 861 -120 334 503 C +ATOM 1104 CG1 ILE A 65 -12.779 -11.417 -2.141 1.00 20.34 C +ANISOU 1104 CG1 ILE A 65 3099 3214 1416 -565 -332 378 C +ATOM 1105 CG2 ILE A 65 -13.716 -11.405 -4.463 1.00 16.16 C +ANISOU 1105 CG2 ILE A 65 2245 2764 1133 -47 341 432 C +ATOM 1106 CD1 ILE A 65 -12.529 -9.989 -2.113 1.00 22.35 C +ANISOU 1106 CD1 ILE A 65 3445 3430 1615 -469 -417 172 C +ATOM 1107 H ILE A 65 -15.350 -12.564 -0.957 1.00 12.08 H +ATOM 1108 HA ILE A 65 -15.396 -10.449 -2.651 1.00 13.23 H +ATOM 1109 HB ILE A 65 -13.926 -12.838 -2.987 1.00 18.16 H +ATOM 1110 HG12 ILE A 65 -12.973 -11.693 -1.231 1.00 24.41 H +ATOM 1111 HG13 ILE A 65 -11.966 -11.846 -2.451 1.00 24.41 H +ATOM 1112 HG21 ILE A 65 -12.788 -11.549 -4.706 1.00 19.40 H +ATOM 1113 HG22 ILE A 65 -14.295 -11.916 -5.050 1.00 19.40 H +ATOM 1114 HG23 ILE A 65 -13.932 -10.461 -4.524 1.00 19.40 H +ATOM 1115 HD11 ILE A 65 -11.823 -9.805 -1.474 1.00 26.82 H +ATOM 1116 HD12 ILE A 65 -12.258 -9.699 -2.998 1.00 26.82 H +ATOM 1117 HD13 ILE A 65 -13.342 -9.531 -1.849 1.00 26.82 H +ATOM 1118 N LYS A 66 -17.085 -11.400 -4.207 1.00 11.22 N +ANISOU 1118 N LYS A 66 2136 1218 908 -66 -10 -118 N +ATOM 1119 CA LYS A 66 -18.077 -11.972 -5.106 1.00 13.55 C +ANISOU 1119 CA LYS A 66 2167 1824 1158 -74 91 76 C +ATOM 1120 C LYS A 66 -17.771 -11.490 -6.511 1.00 13.35 C +ANISOU 1120 C LYS A 66 2388 1519 1164 -16 -251 3 C +ATOM 1121 O LYS A 66 -17.731 -10.283 -6.760 1.00 15.52 O +ANISOU 1121 O LYS A 66 3465 1426 1007 62 -215 -80 O +ATOM 1122 CB LYS A 66 -19.488 -11.540 -4.704 1.00 20.57 C +ANISOU 1122 CB LYS A 66 2888 2840 2089 150 62 221 C +ATOM 1123 CG LYS A 66 -19.944 -12.066 -3.361 1.00 26.10 C +ANISOU 1123 CG LYS A 66 3612 3384 2922 108 480 292 C +ATOM 1124 CD LYS A 66 -20.308 -13.533 -3.450 1.00 28.78 C +ANISOU 1124 CD LYS A 66 4225 3515 3193 340 399 441 C +ATOM 1125 H LYS A 66 -17.011 -10.546 -4.274 1.00 13.46 H +ATOM 1126 HA LYS A 66 -18.025 -12.941 -5.082 1.00 16.26 H +ATOM 1127 HB2 LYS A 66 -19.515 -10.571 -4.664 1.00 24.69 H +ATOM 1128 HB3 LYS A 66 -20.113 -11.862 -5.373 1.00 24.69 H +ATOM 1129 HG2 LYS A 66 -19.229 -11.966 -2.714 1.00 31.33 H +ATOM 1130 HG3 LYS A 66 -20.727 -11.573 -3.069 1.00 31.33 H +ATOM 1131 N ILE A 67 -17.565 -12.423 -7.430 1.00 14.70 N +ANISOU 1131 N ILE A 67 2628 1350 1606 89 -190 -10 N +ATOM 1132 CA ILE A 67 -17.355 -12.096 -8.833 1.00 15.60 C +ANISOU 1132 CA ILE A 67 3250 1431 1245 15 -162 -1 C +ATOM 1133 C ILE A 67 -18.538 -12.681 -9.594 1.00 19.33 C +ANISOU 1133 C ILE A 67 3593 1790 1962 -559 -482 -125 C +ATOM 1134 O ILE A 67 -18.639 -13.904 -9.761 1.00 21.92 O +ANISOU 1134 O ILE A 67 4318 1715 2294 -691 -847 16 O +ATOM 1135 CB ILE A 67 -16.014 -12.629 -9.349 1.00 16.62 C +ANISOU 1135 CB ILE A 67 3444 1636 1236 398 271 -51 C +ATOM 1136 CG1 ILE A 67 -14.875 -12.122 -8.447 1.00 16.68 C +ANISOU 1136 CG1 ILE A 67 2928 1826 1582 519 685 161 C +ATOM 1137 CG2 ILE A 67 -15.796 -12.227 -10.799 1.00 18.47 C +ANISOU 1137 CG2 ILE A 67 4027 1739 1251 542 124 -158 C +ATOM 1138 CD1 ILE A 67 -13.493 -12.559 -8.907 1.00 19.32 C +ANISOU 1138 CD1 ILE A 67 3125 1893 2322 488 1074 365 C +ATOM 1139 H ILE A 67 -17.541 -13.265 -7.259 1.00 17.64 H +ATOM 1140 HA ILE A 67 -17.357 -11.135 -8.963 1.00 18.72 H +ATOM 1141 HB ILE A 67 -16.024 -13.598 -9.314 1.00 19.95 H +ATOM 1142 HG12 ILE A 67 -14.892 -11.152 -8.438 1.00 20.01 H +ATOM 1143 HG13 ILE A 67 -15.011 -12.465 -7.550 1.00 20.01 H +ATOM 1144 HG21 ILE A 67 -14.934 -12.560 -11.093 1.00 22.17 H +ATOM 1145 HG22 ILE A 67 -16.502 -12.611 -11.342 1.00 22.17 H +ATOM 1146 HG23 ILE A 67 -15.817 -11.259 -10.865 1.00 22.17 H +ATOM 1147 HD11 ILE A 67 -12.851 -12.365 -8.206 1.00 23.19 H +ATOM 1148 HD12 ILE A 67 -13.507 -13.512 -9.088 1.00 23.19 H +ATOM 1149 HD13 ILE A 67 -13.260 -12.073 -9.713 1.00 23.19 H +ATOM 1150 N GLU A 68 -19.448 -11.812 -10.016 1.00 21.29 N +ANISOU 1150 N GLU A 68 3102 2483 2504 -738 -749 -23 N +ATOM 1151 CA GLU A 68 -20.724 -12.228 -10.578 1.00 26.16 C +ANISOU 1151 CA GLU A 68 3393 3296 3251 -661 -486 26 C +ATOM 1152 C GLU A 68 -20.658 -12.365 -12.090 1.00 31.18 C +ANISOU 1152 C GLU A 68 3811 3971 4065 -626 -281 148 C +ATOM 1153 O GLU A 68 -21.628 -12.801 -12.712 1.00 32.98 O +ANISOU 1153 O GLU A 68 3730 4434 4367 -616 -106 186 O +ATOM 1154 CB GLU A 68 -21.810 -11.216 -10.201 1.00 29.58 C +ANISOU 1154 CB GLU A 68 3770 3714 3754 -61 -22 10 C +ATOM 1155 OXT GLU A 68 -19.649 -12.044 -12.721 1.00 30.19 O +ANISOU 1155 OXT GLU A 68 3796 3847 3828 -65 -19 30 O +ATOM 1156 H GLU A 68 -19.348 -10.959 -9.986 1.00 25.55 H +ATOM 1157 HA GLU A 68 -20.957 -13.097 -10.216 1.00 31.40 H +TER 1158 GLU A 68 +HETATM 1159 O HOH A 101 -1.918 2.786 -10.274 1.00 24.41 O +HETATM 1160 O HOH A 102 0.474 -10.308 -13.281 1.00 40.11 O +HETATM 1161 O HOH A 103 -2.184 -1.278 10.056 1.00 32.39 O +HETATM 1162 O HOH A 104 -7.622 -19.241 -5.379 1.00 27.59 O +HETATM 1163 O HOH A 105 -8.321 2.513 12.363 1.00 18.05 O +HETATM 1164 O HOH A 106 -2.935 -5.290 -0.308 1.00 23.57 O +HETATM 1165 O HOH A 107 -19.387 -4.813 -11.461 1.00 18.73 O +HETATM 1166 O HOH A 108 -14.121 2.756 -5.330 1.00 38.31 O +HETATM 1167 O HOH A 109 -7.782 3.866 1.638 1.00 15.63 O +HETATM 1168 O HOH A 110 -3.637 -5.881 10.985 1.00 36.95 O +HETATM 1169 O HOH A 111 -6.853 -6.683 -16.153 1.00 22.58 O +HETATM 1170 O HOH A 112 -17.011 -15.803 -4.075 1.00 16.72 O +HETATM 1171 O HOH A 113 -17.079 -12.413 10.020 1.00 25.62 O +HETATM 1172 O HOH A 114 -10.762 -14.534 8.929 1.00 25.10 O +HETATM 1173 O HOH A 115 -0.999 6.407 -9.212 1.00 37.68 O +HETATM 1174 O HOH A 116 -19.495 -6.521 8.812 1.00 27.93 O +HETATM 1175 O HOH A 117 -0.347 -14.755 -16.450 1.00 32.31 O +HETATM 1176 O HOH A 118 -7.310 -3.778 11.743 1.00 15.68 O +HETATM 1177 O HOH A 119 -11.375 6.131 -7.272 1.00 16.81 O +HETATM 1178 O HOH A 120 -10.028 -3.615 10.748 1.00 13.92 O +HETATM 1179 O HOH A 121 -17.744 -7.464 10.754 1.00 25.57 O +HETATM 1180 O HOH A 122 -15.374 -0.099 9.449 1.00 26.07 O +HETATM 1181 O HOH A 123 0.815 0.233 0.764 1.00 23.39 O +HETATM 1182 O HOH A 124 -7.238 -18.094 3.043 1.00 16.50 O +HETATM 1183 O HOH A 125 -12.931 -13.237 10.462 1.00 10.76 O +HETATM 1184 O HOH A 126 -5.127 -17.253 4.437 1.00 15.45 O +HETATM 1185 O HOH A 127 -19.740 -12.039 6.065 1.00 24.96 O +HETATM 1186 O HOH A 128 -11.897 1.655 -8.276 1.00 26.03 O +HETATM 1187 O HOH A 129 -1.728 -1.254 -17.296 1.00 13.79 O +HETATM 1188 O HOH A 130 -12.067 1.866 6.865 1.00 18.51 O +HETATM 1189 O HOH A 131 -18.475 1.294 7.202 1.00 25.72 O +HETATM 1190 O HOH A 132 -1.335 -2.108 -5.822 1.00 20.59 O +HETATM 1191 O HOH A 133 -13.220 -14.376 4.968 1.00 11.08 O +HETATM 1192 O HOH A 134 -7.386 3.871 -15.095 1.00 15.14 O +HETATM 1193 O HOH A 135 -9.526 -19.365 -6.111 1.00 31.23 O +HETATM 1194 O HOH A 136 0.332 -6.178 -11.846 1.00 24.78 O +HETATM 1195 O HOH A 137 -14.647 -14.381 -0.061 1.00 10.45 O +HETATM 1196 O HOH A 138 -15.956 -14.724 4.542 1.00 16.26 O +HETATM 1197 O HOH A 139 -9.137 2.635 -8.864 1.00 12.99 O +HETATM 1198 O HOH A 140 -5.024 4.562 -6.713 1.00 23.07 O +HETATM 1199 O HOH A 141 -10.003 2.328 -11.513 1.00 15.93 O +HETATM 1200 O HOH A 142 -4.988 4.105 -4.168 1.00 19.27 O +HETATM 1201 O HOH A 143 -13.653 -6.366 -13.855 1.00 13.74 O +HETATM 1202 O HOH A 144 -0.788 -11.993 5.821 1.00 21.60 O +HETATM 1203 O HOH A 145 -11.829 -14.400 -16.598 1.00 21.66 O +HETATM 1204 O HOH A 146 -13.486 -1.771 9.807 1.00 15.21 O +HETATM 1205 O HOH A 147 -14.597 1.133 1.051 1.00 15.83 O +HETATM 1206 O HOH A 148 -13.270 0.252 -6.468 1.00 28.22 O +HETATM 1207 O HOH A 149 -8.124 -16.526 -1.588 1.00 11.12 O +HETATM 1208 O HOH A 150 -4.862 3.095 13.936 1.00 29.53 O +HETATM 1209 O HOH A 151 -23.797 -14.005 -11.347 1.00 32.83 O +HETATM 1210 O HOH A 152 -21.231 -5.101 10.827 1.00 26.28 O +HETATM 1211 O HOH A 153 -2.661 -9.973 -10.984 1.00 16.99 O +HETATM 1212 O HOH A 154 -8.709 4.069 -0.909 1.00 19.54 O +HETATM 1213 O HOH A 155 -3.823 3.258 6.214 1.00 19.00 O +HETATM 1214 O HOH A 156 -16.471 1.136 -4.294 1.00 21.74 O +HETATM 1215 O HOH A 157 -3.092 -9.024 -4.149 1.00 15.56 O +HETATM 1216 O HOH A 158 -6.502 6.555 6.781 1.00 17.09 O +HETATM 1217 O HOH A 159 -22.765 -1.959 10.155 1.00 43.91 O +HETATM 1218 O HOH A 160 -1.483 -13.936 -0.453 1.00 26.77 O +HETATM 1219 O HOH A 161 -5.061 -4.618 -2.086 1.00 27.05 O +HETATM 1220 O HOH A 162 -19.150 -9.731 -1.779 1.00 28.23 O +HETATM 1221 O HOH A 163 -16.133 1.342 -9.256 1.00 22.05 O +HETATM 1222 O HOH A 164 0.879 -3.589 -15.219 1.00 29.78 O +HETATM 1223 O HOH A 165 -1.593 1.462 0.429 1.00 26.82 O +HETATM 1224 O HOH A 166 -15.791 -7.227 13.929 1.00 12.03 O +HETATM 1225 O HOH A 167 -13.152 -0.468 -10.146 1.00 14.54 O +HETATM 1226 O HOH A 168 -0.647 -5.133 -3.434 1.00 36.78 O +HETATM 1227 O HOH A 169 -17.754 -15.792 -2.249 1.00 31.80 O +HETATM 1228 O HOH A 170 -25.485 -10.384 -8.576 1.00 20.36 O +HETATM 1229 O HOH A 171 -18.071 0.078 10.589 1.00 34.29 O +HETATM 1230 O HOH A 172 -17.710 0.980 3.188 1.00 21.86 O +HETATM 1231 O HOH A 173 -5.466 8.081 -8.022 1.00 25.56 O +HETATM 1232 O HOH A 174 -15.652 -13.396 -14.616 1.00 20.00 O +HETATM 1233 O HOH A 175 2.844 -2.658 3.943 1.00 25.36 O +HETATM 1234 O HOH A 176 -17.163 -0.477 -15.918 1.00 25.02 O +HETATM 1235 O HOH A 177 -18.947 -4.221 -2.144 1.00 28.49 O +HETATM 1236 O HOH A 178 -17.281 -10.571 10.042 1.00 17.93 O +HETATM 1237 O HOH A 179 -8.763 -18.965 -3.379 1.00 27.15 O +HETATM 1238 O HOH A 180 -19.602 -16.464 -8.236 1.00 39.11 O +HETATM 1239 O HOH A 181 -25.077 -9.723 -5.976 1.00 23.68 O +HETATM 1240 O HOH A 182 -3.912 4.614 -15.047 1.00 35.07 O +HETATM 1241 O HOH A 183 -1.269 -8.779 -12.784 1.00 26.61 O +HETATM 1242 O HOH A 184 -15.514 -6.960 -16.431 1.00 26.34 O +HETATM 1243 O HOH A 185 -24.558 1.591 -2.531 1.00 34.01 O +HETATM 1244 O HOH A 186 -1.902 -20.221 -2.652 1.00 32.10 O +HETATM 1245 O HOH A 187 -21.710 -3.710 -6.768 1.00 33.57 O +HETATM 1246 O HOH A 188 -18.062 3.766 -6.880 1.00 22.22 O +HETATM 1247 O HOH A 189 -14.201 4.495 15.698 1.00 25.36 O +HETATM 1248 O HOH A 190 -16.930 3.523 -0.231 1.00 21.33 O +HETATM 1249 O HOH A 191 -20.093 -15.745 -13.364 1.00 35.35 O +HETATM 1250 O HOH A 192 -4.635 4.290 3.650 1.00 27.54 O +HETATM 1251 O HOH A 193 -20.034 -0.145 4.274 1.00 27.74 O +HETATM 1252 O HOH A 194 -23.658 -0.427 -4.568 1.00 28.79 O +HETATM 1253 O HOH A 195 -8.346 -18.270 7.605 1.00 35.44 O +HETATM 1254 O HOH A 196 -0.703 -14.764 2.113 1.00 30.13 O +HETATM 1255 O HOH A 197 -18.709 3.445 -10.233 1.00 44.07 O +HETATM 1256 O HOH A 198 -20.556 -3.698 -13.943 1.00 41.60 O +HETATM 1257 O HOH A 199 -2.531 -6.895 -2.522 1.00 25.93 O +HETATM 1258 O HOH A 200 -1.874 4.112 -12.938 1.00 27.34 O +HETATM 1259 O HOH A 201 -10.040 -15.370 -17.935 1.00 23.79 O +HETATM 1260 O HOH A 202 -24.142 -4.238 -5.353 1.00 27.67 O +HETATM 1261 O HOH A 203 -16.992 -16.649 2.738 1.00 15.85 O +HETATM 1262 O HOH A 204 -9.104 5.295 -8.555 1.00 16.87 O +HETATM 1263 O HOH A 205 -22.888 -0.351 -9.022 1.00 39.79 O +HETATM 1264 O HOH A 206 -0.359 9.134 -8.198 1.00 32.17 O +HETATM 1265 O HOH A 207 -3.720 -1.121 12.395 1.00 25.04 O +HETATM 1266 O HOH A 208 -0.339 -2.387 -8.415 1.00 31.33 O +HETATM 1267 O HOH A 209 -1.313 2.404 7.103 1.00 42.29 O +HETATM 1268 O HOH A 210 -23.096 -9.924 5.047 1.00 37.03 O +HETATM 1269 O HOH A 211 -1.277 -15.024 -8.080 1.00 33.97 O +HETATM 1270 O HOH A 212 -23.236 -11.328 -4.797 1.00 40.44 O +HETATM 1271 O HOH A 213 -23.336 -13.031 4.005 1.00 29.62 O +HETATM 1272 O HOH A 214 0.103 -12.707 -8.580 1.00 26.94 O +HETATM 1273 O HOH A 215 -7.105 6.265 -7.046 1.00 20.83 O +HETATM 1274 O HOH A 216 -0.414 -18.538 -4.861 1.00 48.66 O +MASTER 245 0 0 2 3 0 0 6 667 1 0 6 +END diff --git a/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_1.sh b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_1.sh new file mode 100644 index 0000000000000000000000000000000000000000..a5b53d4f2d640205beda92df9c1311213660195f --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_1.sh @@ -0,0 +1,27 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 2 +#SBATCH --output=example_1.out + +source activate mlfold + +folder_with_pdbs="../PDB_monomers/pdbs/" + +output_dir="../PDB_monomers/example_1_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 diff --git a/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_2.sh b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_2.sh new file mode 100644 index 0000000000000000000000000000000000000000..b001a4eb9625d8a8a83192364f9ad6ff07c4dddf --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_2.sh @@ -0,0 +1,32 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 2 +#SBATCH --output=example_2.out + +source activate mlfold + +folder_with_pdbs="../PDB_complexes/pdbs/" + +output_dir="../PDB_complexes/example_2_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_assigned_chains=$output_dir"/assigned_pdbs.jsonl" +chains_to_design="A B" + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../helper_scripts/assign_fixed_chains.py --input_path=$path_for_parsed_chains --output_path=$path_for_assigned_chains --chain_list "$chains_to_design" + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --chain_id_jsonl $path_for_assigned_chains \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 diff --git a/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_3.sh b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_3.sh new file mode 100644 index 0000000000000000000000000000000000000000..98ded3543e9adfa8dcc34deece3013109b9967d8 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_3.sh @@ -0,0 +1,26 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_3.out + +source activate mlfold + +path_to_PDB="../PDB_complexes/pdbs/3HTN.pdb" + +output_dir="../PDB_complexes/example_3_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +chains_to_design="A B" + +python ../protein_mpnn_run.py \ + --pdb_path $path_to_PDB \ + --pdb_path_chains "$chains_to_design" \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 diff --git a/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_4.sh b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_4.sh new file mode 100644 index 0000000000000000000000000000000000000000..1d167d3a769df129068698db31792a1b63e97e4d --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_4.sh @@ -0,0 +1,39 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_4.out + +source activate mlfold + +folder_with_pdbs="../PDB_complexes/pdbs/" + +output_dir="../PDB_complexes/example_4_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_assigned_chains=$output_dir"/assigned_pdbs.jsonl" +path_for_fixed_positions=$output_dir"/fixed_pdbs.jsonl" +chains_to_design="A C" +#The first amino acid in the chain corresponds to 1 and not PDB residues index for now. +fixed_positions="1 2 3 4 5 6 7 8 23 25, 10 11 12 13 14 15 16 17 18 19 20 40" #fixing/not designing residues 1 2 3...25 in chain A and residues 10 11 12...40 in chain C + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../helper_scripts/assign_fixed_chains.py --input_path=$path_for_parsed_chains --output_path=$path_for_assigned_chains --chain_list "$chains_to_design" + +python ../helper_scripts/make_fixed_positions_dict.py --input_path=$path_for_parsed_chains --output_path=$path_for_fixed_positions --chain_list "$chains_to_design" --position_list "$fixed_positions" + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --chain_id_jsonl $path_for_assigned_chains \ + --fixed_positions_jsonl $path_for_fixed_positions \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 diff --git a/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_5.sh b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_5.sh new file mode 100644 index 0000000000000000000000000000000000000000..26bdc4abf226a2a8b3c889d991cc5fde9da4d25a --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_5.sh @@ -0,0 +1,43 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_5.out + +source activate mlfold + +folder_with_pdbs="../PDB_complexes/pdbs/" + +output_dir="../PDB_complexes/example_5_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_assigned_chains=$output_dir"/assigned_pdbs.jsonl" +path_for_fixed_positions=$output_dir"/fixed_pdbs.jsonl" +path_for_tied_positions=$output_dir"/tied_pdbs.jsonl" +chains_to_design="A C" +fixed_positions="9 10 11 12 13 14 15 16 17 18 19 20 21 22 23, 10 11 18 19 20 22" +tied_positions="1 2 3 4 5 6 7 8, 1 2 3 4 5 6 7 8" #two list must match in length; residue 1 in chain A and C will be sampled togther; + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../helper_scripts/assign_fixed_chains.py --input_path=$path_for_parsed_chains --output_path=$path_for_assigned_chains --chain_list "$chains_to_design" + +python ../helper_scripts/make_fixed_positions_dict.py --input_path=$path_for_parsed_chains --output_path=$path_for_fixed_positions --chain_list "$chains_to_design" --position_list "$fixed_positions" + +python ../helper_scripts/make_tied_positions_dict.py --input_path=$path_for_parsed_chains --output_path=$path_for_tied_positions --chain_list "$chains_to_design" --position_list "$tied_positions" + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --chain_id_jsonl $path_for_assigned_chains \ + --fixed_positions_jsonl $path_for_fixed_positions \ + --tied_positions_jsonl $path_for_tied_positions \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 diff --git a/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_6.sh b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_6.sh new file mode 100644 index 0000000000000000000000000000000000000000..7fa11947fd5f7830d659739cbf80787cdec11465 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_6.sh @@ -0,0 +1,33 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_6.out + +source activate mlfold + +folder_with_pdbs="../PDB_homooligomers/pdbs/" + +output_dir="../PDB_homooligomers/example_6_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_tied_positions=$output_dir"/tied_pdbs.jsonl" +path_for_designed_sequences=$output_dir"/temp_0.1" + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../helper_scripts/make_tied_positions_dict.py --input_path=$path_for_parsed_chains --output_path=$path_for_tied_positions --homooligomer 1 + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --tied_positions_jsonl $path_for_tied_positions \ + --out_folder $output_dir \ + --num_seq_per_target 2 \ + --sampling_temp "0.2" \ + --batch_size 1 diff --git a/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_7.sh b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_7.sh new file mode 100644 index 0000000000000000000000000000000000000000..440c720158a993833f1f1964618608a4cee2c9bc --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/examples/submit_example_7.sh @@ -0,0 +1,40 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_7.out + +source activate mlfold + +folder_with_pdbs="../PDB_complexes/pdbs/" + +output_dir="../PDB_complexes/example_7_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_assigned_chains=$output_dir"/PDB_complexes/assigned_pdbs.jsonl" +path_for_bias=$output_dir"/bias_pdbs.jsonl" +AA_list="G P A" +bias_list="40.1 0.3 -0.05" #for G P A respectively; global AA bias in the logit space +chains_to_design="A B" + + +python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains + +python ../helper_scripts/assign_fixed_chains.py --input_path=$path_for_parsed_chains --output_path=$path_for_assigned_chains --chain_list "$chains_to_design" + +python ../helper_scripts/make_bias_AA.py --output_path=$path_for_bias --AA_list="$AA_list" --bias_list="$bias_list" + +python ../protein_mpnn_run.py \ + --jsonl_path $path_for_parsed_chains \ + --chain_id_jsonl $path_for_assigned_chains \ + --out_folder $output_dir \ + --bias_AA_jsonl $path_for_bias \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --batch_size 1 diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/assign_fixed_chains.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/assign_fixed_chains.py new file mode 100644 index 0000000000000000000000000000000000000000..0dcf7b688d177d6c83129d4e1e44c75cd254f44a --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/assign_fixed_chains.py @@ -0,0 +1,39 @@ +import argparse + +def main(args): + import json + + with open(args.input_path, 'r') as json_file: + json_list = list(json_file) + + global_designed_chain_list = [] + if args.chain_list != '': + global_designed_chain_list = [str(item) for item in args.chain_list.split()] + my_dict = {} + for json_str in json_list: + result = json.loads(json_str) + all_chain_list = [item[-1:] for item in list(result) if item[:9]=='seq_chain'] #['A','B', 'C',...] + if len(global_designed_chain_list) > 0: + designed_chain_list = global_designed_chain_list + else: + #manually specify, e.g. + designed_chain_list = ["A"] + fixed_chain_list = [letter for letter in all_chain_list if letter not in designed_chain_list] #fix/do not redesign these chains + my_dict[result['name']]= (designed_chain_list, fixed_chain_list) + + with open(args.output_path, 'w') as f: + f.write(json.dumps(my_dict) + '\n') + + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + argparser.add_argument("--input_path", type=str, help="Path to the parsed PDBs") + argparser.add_argument("--output_path", type=str, help="Path to the output dictionary") + argparser.add_argument("--chain_list", type=str, default='', help="List of the chains that need to be designed") + + args = argparser.parse_args() + main(args) + +# Output looks like this: +# {"5TTA": [["A"], ["B"]], "3LIS": [["A"], ["B"]]} + diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_bias_AA.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_bias_AA.py new file mode 100644 index 0000000000000000000000000000000000000000..b32fb6b69dd4754d2ebef4c3baf5d81b6573d5a2 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_bias_AA.py @@ -0,0 +1,27 @@ +import argparse + +def main(args): + + import numpy as np + import json + + bias_list = [float(item) for item in args.bias_list.split()] + AA_list = [str(item) for item in args.AA_list.split()] + + my_dict = dict(zip(AA_list, bias_list)) + + with open(args.output_path, 'w') as f: + f.write(json.dumps(my_dict) + '\n') + + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + argparser.add_argument("--output_path", type=str, help="Path to the output dictionary") + argparser.add_argument("--AA_list", type=str, default='', help="List of AAs to be biased") + argparser.add_argument("--bias_list", type=str, default='', help="AA bias strengths") + + args = argparser.parse_args() + main(args) + +#e.g. output +#{"A": -0.01, "G": 0.02} diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_bias_per_res_dict.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_bias_per_res_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..bae8425ee4d9c702e636f5efe0558b5bcf378c1e --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_bias_per_res_dict.py @@ -0,0 +1,53 @@ +import argparse + +def main(args): + import glob + import random + import numpy as np + import json + + mpnn_alphabet = 'ACDEFGHIKLMNPQRSTVWYX' + + mpnn_alphabet_dict = {'A': 0,'C': 1,'D': 2,'E': 3,'F': 4,'G': 5,'H': 6,'I': 7,'K': 8,'L': 9,'M': 10,'N': 11,'P': 12,'Q': 13,'R': 14,'S': 15,'T': 16,'V': 17,'W': 18,'Y': 19,'X': 20} + + with open(args.input_path, 'r') as json_file: + json_list = list(json_file) + + my_dict = {} + for json_str in json_list: + result = json.loads(json_str) + all_chain_list = [item[-1:] for item in list(result) if item[:10]=='seq_chain_'] + bias_by_res_dict = {} + for chain in all_chain_list: + chain_length = len(result[f'seq_chain_{chain}']) + bias_per_residue = np.zeros([chain_length, 21]) + + + if chain == 'A': + residues = [0, 1, 2, 3, 4, 5, 11, 12, 13, 14, 15] + amino_acids = [5, 9] #[G, L] + for res in residues: + for aa in amino_acids: + bias_per_residue[res, aa] = 100.5 + + if chain == 'C': + residues = [0, 1, 2, 3, 4, 5, 11, 12, 13, 14, 15] + amino_acids = range(21)[1:] #[G, L] + for res in residues: + for aa in amino_acids: + bias_per_residue[res, aa] = -100.5 + + bias_by_res_dict[chain] = bias_per_residue.tolist() + my_dict[result['name']] = bias_by_res_dict + + with open(args.output_path, 'w') as f: + f.write(json.dumps(my_dict) + '\n') + + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + argparser.add_argument("--input_path", type=str, help="Path to the parsed PDBs") + argparser.add_argument("--output_path", type=str, help="Path to the output dictionary") + + args = argparser.parse_args() + main(args) diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_fixed_positions_dict.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_fixed_positions_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..a2de864dd3dcb898553dc6ef125a23079a43716c --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_fixed_positions_dict.py @@ -0,0 +1,42 @@ +import argparse + +def main(args): + import glob + import random + import numpy as np + import json + import itertools + + with open(args.input_path, 'r') as json_file: + json_list = list(json_file) + + fixed_list = [[int(item) for item in one.split()] for one in args.position_list.split(",")] + global_designed_chain_list = [str(item) for item in args.chain_list.split()] + my_dict = {} + for json_str in json_list: + result = json.loads(json_str) + all_chain_list = [item[-1:] for item in list(result) if item[:9]=='seq_chain'] + fixed_position_dict = {} + for i, chain in enumerate(global_designed_chain_list): + fixed_position_dict[chain] = fixed_list[i] + for chain in all_chain_list: + if chain not in global_designed_chain_list: + fixed_position_dict[chain] = [] + my_dict[result['name']] = fixed_position_dict + + with open(args.output_path, 'w') as f: + f.write(json.dumps(my_dict) + '\n') + + #e.g. output + #{"5TTA": {"A": [1, 2, 3, 7, 8, 9, 22, 25, 33], "B": []}, "3LIS": {"A": [], "B": []}} + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + argparser.add_argument("--input_path", type=str, help="Path to the parsed PDBs") + argparser.add_argument("--output_path", type=str, help="Path to the output dictionary") + argparser.add_argument("--chain_list", type=str, default='', help="List of the chains that need to be fixed") + argparser.add_argument("--position_list", type=str, default='', help="Position lists, e.g. 11 12 14 18, 1 2 3 4 for first chain and the second chain") + + args = argparser.parse_args() + main(args) + diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_pos_neg_tied_positions_dict.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_pos_neg_tied_positions_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..2fb0c51227e09b47c475b8b8d7182901924168ec --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_pos_neg_tied_positions_dict.py @@ -0,0 +1,73 @@ +import argparse + +def main(args): + + import glob + import random + import numpy as np + import json + import itertools + + with open(args.input_path, 'r') as json_file: + json_list = list(json_file) + + homooligomeric_state = args.homooligomer + + if homooligomeric_state == 0: + tied_list = [[int(item) for item in one.split()] for one in args.position_list.split(",")] + global_designed_chain_list = [str(item) for item in args.chain_list.split()] + my_dict = {} + for json_str in json_list: + result = json.loads(json_str) + all_chain_list = sorted([item[-1:] for item in list(result) if item[:9]=='seq_chain']) #A, B, C, ... + tied_positions_list = [] + for i, pos in enumerate(tied_list[0]): + temp_dict = {} + for j, chain in enumerate(global_designed_chain_list): + temp_dict[chain] = [tied_list[j][i]] #needs to be a list + tied_positions_list.append(temp_dict) + my_dict[result['name']] = tied_positions_list + else: + if args.pos_neg_chain_list: + chain_list_input = [[str(item) for item in one.split()] for one in args.pos_neg_chain_list.split(",")] + chain_betas_input = [[float(item) for item in one.split()] for one in args.pos_neg_chain_betas.split(",")] + chain_list_flat = [item for sublist in chain_list_input for item in sublist] + chain_betas_flat = [item for sublist in chain_betas_input for item in sublist] + chain_betas_dict = dict(zip(chain_list_flat, chain_betas_flat)) + my_dict = {} + for json_str in json_list: + result = json.loads(json_str) + all_chain_list = sorted([item[-1:] for item in list(result) if item[:9]=='seq_chain']) #A, B, C, ... + tied_positions_list = [] + chain_length = len(result[f"seq_chain_{all_chain_list[0]}"]) + for chains in chain_list_input: + for i in range(1,chain_length+1): + temp_dict = {} + for j, chain in enumerate(chains): + if args.pos_neg_chain_list and chain in chain_list_flat: + temp_dict[chain] = [[i], [chain_betas_dict[chain]]] + else: + temp_dict[chain] = [[i], [1.0]] #first list is for residue numbers, second list is for weights for the energy, +ive and -ive design + tied_positions_list.append(temp_dict) + my_dict[result['name']] = tied_positions_list + + with open(args.output_path, 'w') as f: + f.write(json.dumps(my_dict) + '\n') + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + argparser.add_argument("--input_path", type=str, help="Path to the parsed PDBs") + argparser.add_argument("--output_path", type=str, help="Path to the output dictionary") + argparser.add_argument("--chain_list", type=str, default='', help="List of the chains that need to be fixed") + argparser.add_argument("--position_list", type=str, default='', help="Position lists, e.g. 11 12 14 18, 1 2 3 4 for first chain and the second chain") + argparser.add_argument("--homooligomer", type=int, default=0, help="If 0 do not use, if 1 then design homooligomer") + argparser.add_argument("--pos_neg_chain_list", type=str, default='', help="Chain lists to be tied together") + argparser.add_argument("--pos_neg_chain_betas", type=str, default='', help="Chain beta list for the chain lists provided; 1.0 for the positive design, -0.1 or -0.5 for negative, 0.0 means do not use that chain info") + + args = argparser.parse_args() + main(args) + + +#e.g. output +#{"5TTA": [], "3LIS": [{"A": [1], "B": [1]}, {"A": [2], "B": [2]}, {"A": [3], "B": [3]}, {"A": [4], "B": [4]}, {"A": [5], "B": [5]}, {"A": [6], "B": [6]}, {"A": [7], "B": [7]}, {"A": [8], "B": [8]}, {"A": [9], "B": [9]}, {"A": [10], "B": [10]}, {"A": [11], "B": [11]}, {"A": [12], "B": [12]}, {"A": [13], "B": [13]}, {"A": [14], "B": [14]}, {"A": [15], "B": [15]}, {"A": [16], "B": [16]}, {"A": [17], "B": [17]}, {"A": [18], "B": [18]}, {"A": [19], "B": [19]}, {"A": [20], "B": [20]}, {"A": [21], "B": [21]}, {"A": [22], "B": [22]}, {"A": [23], "B": [23]}, {"A": [24], "B": [24]}, {"A": [25], "B": [25]}, {"A": [26], "B": [26]}, {"A": [27], "B": [27]}, {"A": [28], "B": [28]}, {"A": [29], "B": [29]}, {"A": [30], "B": [30]}, {"A": [31], "B": [31]}, {"A": [32], "B": [32]}, {"A": [33], "B": [33]}, {"A": [34], "B": [34]}, {"A": [35], "B": [35]}, {"A": [36], "B": [36]}, {"A": [37], "B": [37]}, {"A": [38], "B": [38]}, {"A": [39], "B": [39]}, {"A": [40], "B": [40]}, {"A": [41], "B": [41]}, {"A": [42], "B": [42]}, {"A": [43], "B": [43]}, {"A": [44], "B": [44]}, {"A": [45], "B": [45]}, {"A": [46], "B": [46]}, {"A": [47], "B": [47]}, {"A": [48], "B": [48]}, {"A": [49], "B": [49]}, {"A": [50], "B": [50]}, {"A": [51], "B": [51]}, {"A": [52], "B": [52]}, {"A": [53], "B": [53]}, {"A": [54], "B": [54]}, {"A": [55], "B": [55]}, {"A": [56], "B": [56]}, {"A": [57], "B": [57]}, {"A": [58], "B": [58]}, {"A": [59], "B": [59]}, {"A": [60], "B": [60]}, {"A": [61], "B": [61]}, {"A": [62], "B": [62]}, {"A": [63], "B": [63]}, {"A": [64], "B": [64]}, {"A": [65], "B": [65]}, {"A": [66], "B": [66]}, {"A": [67], "B": [67]}, {"A": [68], "B": [68]}, {"A": [69], "B": [69]}, {"A": [70], "B": [70]}, {"A": [71], "B": [71]}, {"A": [72], "B": [72]}, {"A": [73], "B": [73]}, {"A": [74], "B": [74]}, {"A": [75], "B": [75]}, {"A": [76], "B": [76]}, {"A": [77], "B": [77]}, {"A": [78], "B": [78]}, {"A": [79], "B": [79]}, {"A": [80], "B": [80]}, {"A": [81], "B": [81]}, {"A": [82], "B": [82]}, {"A": [83], "B": [83]}, {"A": [84], "B": [84]}, {"A": [85], "B": [85]}, {"A": [86], "B": [86]}, {"A": [87], "B": [87]}, {"A": [88], "B": [88]}, {"A": [89], "B": [89]}, {"A": [90], "B": [90]}, {"A": [91], "B": [91]}, {"A": [92], "B": [92]}, {"A": [93], "B": [93]}, {"A": [94], "B": [94]}, {"A": [95], "B": [95]}, {"A": [96], "B": [96]}]} + diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_tied_positions_dict.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_tied_positions_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..7691da66757f6acfcaf75bea096343c50057c595 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/make_tied_positions_dict.py @@ -0,0 +1,61 @@ +import argparse + +def main(args): + + import glob + import random + import numpy as np + import json + import itertools + + with open(args.input_path, 'r') as json_file: + json_list = list(json_file) + + homooligomeric_state = args.homooligomer + + if homooligomeric_state == 0: + tied_list = [[int(item) for item in one.split()] for one in args.position_list.split(",")] + global_designed_chain_list = [str(item) for item in args.chain_list.split()] + my_dict = {} + for json_str in json_list: + result = json.loads(json_str) + all_chain_list = sorted([item[-1:] for item in list(result) if item[:9]=='seq_chain']) #A, B, C, ... + tied_positions_list = [] + for i, pos in enumerate(tied_list[0]): + temp_dict = {} + for j, chain in enumerate(global_designed_chain_list): + temp_dict[chain] = [tied_list[j][i]] #needs to be a list + tied_positions_list.append(temp_dict) + my_dict[result['name']] = tied_positions_list + else: + my_dict = {} + for json_str in json_list: + result = json.loads(json_str) + all_chain_list = sorted([item[-1:] for item in list(result) if item[:9]=='seq_chain']) #A, B, C, ... + tied_positions_list = [] + chain_length = len(result[f"seq_chain_{all_chain_list[0]}"]) + for i in range(1,chain_length+1): + temp_dict = {} + for j, chain in enumerate(all_chain_list): + temp_dict[chain] = [i] #needs to be a list + tied_positions_list.append(temp_dict) + my_dict[result['name']] = tied_positions_list + + with open(args.output_path, 'w') as f: + f.write(json.dumps(my_dict) + '\n') + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + argparser.add_argument("--input_path", type=str, help="Path to the parsed PDBs") + argparser.add_argument("--output_path", type=str, help="Path to the output dictionary") + argparser.add_argument("--chain_list", type=str, default='', help="List of the chains that need to be fixed") + argparser.add_argument("--position_list", type=str, default='', help="Position lists, e.g. 11 12 14 18, 1 2 3 4 for first chain and the second chain") + argparser.add_argument("--homooligomer", type=int, default=0, help="If 0 do not use, if 1 then design homooligomer") + + args = argparser.parse_args() + main(args) + + +#e.g. output +#{"5TTA": [], "3LIS": [{"A": [1], "B": [1]}, {"A": [2], "B": [2]}, {"A": [3], "B": [3]}, {"A": [4], "B": [4]}, {"A": [5], "B": [5]}, {"A": [6], "B": [6]}, {"A": [7], "B": [7]}, {"A": [8], "B": [8]}, {"A": [9], "B": [9]}, {"A": [10], "B": [10]}, {"A": [11], "B": [11]}, {"A": [12], "B": [12]}, {"A": [13], "B": [13]}, {"A": [14], "B": [14]}, {"A": [15], "B": [15]}, {"A": [16], "B": [16]}, {"A": [17], "B": [17]}, {"A": [18], "B": [18]}, {"A": [19], "B": [19]}, {"A": [20], "B": [20]}, {"A": [21], "B": [21]}, {"A": [22], "B": [22]}, {"A": [23], "B": [23]}, {"A": [24], "B": [24]}, {"A": [25], "B": [25]}, {"A": [26], "B": [26]}, {"A": [27], "B": [27]}, {"A": [28], "B": [28]}, {"A": [29], "B": [29]}, {"A": [30], "B": [30]}, {"A": [31], "B": [31]}, {"A": [32], "B": [32]}, {"A": [33], "B": [33]}, {"A": [34], "B": [34]}, {"A": [35], "B": [35]}, {"A": [36], "B": [36]}, {"A": [37], "B": [37]}, {"A": [38], "B": [38]}, {"A": [39], "B": [39]}, {"A": [40], "B": [40]}, {"A": [41], "B": [41]}, {"A": [42], "B": [42]}, {"A": [43], "B": [43]}, {"A": [44], "B": [44]}, {"A": [45], "B": [45]}, {"A": [46], "B": [46]}, {"A": [47], "B": [47]}, {"A": [48], "B": [48]}, {"A": [49], "B": [49]}, {"A": [50], "B": [50]}, {"A": [51], "B": [51]}, {"A": [52], "B": [52]}, {"A": [53], "B": [53]}, {"A": [54], "B": [54]}, {"A": [55], "B": [55]}, {"A": [56], "B": [56]}, {"A": [57], "B": [57]}, {"A": [58], "B": [58]}, {"A": [59], "B": [59]}, {"A": [60], "B": [60]}, {"A": [61], "B": [61]}, {"A": [62], "B": [62]}, {"A": [63], "B": [63]}, {"A": [64], "B": [64]}, {"A": [65], "B": [65]}, {"A": [66], "B": [66]}, {"A": [67], "B": [67]}, {"A": [68], "B": [68]}, {"A": [69], "B": [69]}, {"A": [70], "B": [70]}, {"A": [71], "B": [71]}, {"A": [72], "B": [72]}, {"A": [73], "B": [73]}, {"A": [74], "B": [74]}, {"A": [75], "B": [75]}, {"A": [76], "B": [76]}, {"A": [77], "B": [77]}, {"A": [78], "B": [78]}, {"A": [79], "B": [79]}, {"A": [80], "B": [80]}, {"A": [81], "B": [81]}, {"A": [82], "B": [82]}, {"A": [83], "B": [83]}, {"A": [84], "B": [84]}, {"A": [85], "B": [85]}, {"A": [86], "B": [86]}, {"A": [87], "B": [87]}, {"A": [88], "B": [88]}, {"A": [89], "B": [89]}, {"A": [90], "B": [90]}, {"A": [91], "B": [91]}, {"A": [92], "B": [92]}, {"A": [93], "B": [93]}, {"A": [94], "B": [94]}, {"A": [95], "B": [95]}, {"A": [96], "B": [96]}]} + diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/other_tools/make_omit_AA.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/other_tools/make_omit_AA.py new file mode 100644 index 0000000000000000000000000000000000000000..353a74bcf0ec1c0238a32b17a001d15591d18243 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/other_tools/make_omit_AA.py @@ -0,0 +1,39 @@ +import glob +import random +import numpy as np +import json +import itertools + +#MODIFY this path +with open('/home/justas/projects/lab_github/mpnn/data/pdbs.jsonl', 'r') as json_file: + json_list = list(json_file) + +my_dict = {} +for json_str in json_list: + result = json.loads(json_str) + all_chain_list = [item[-1:] for item in list(result) if item[:9]=='seq_chain'] + fixed_position_dict = {} + print(result['name']) + if result['name'] == '5TTA': + for chain in all_chain_list: + if chain == 'A': + fixed_position_dict[chain] = [ + [[int(item) for item in list(itertools.chain(list(np.arange(1,4)), list(np.arange(7,10)), [22, 25, 33]))], 'GPL'], + [[int(item) for item in list(itertools.chain([40, 41, 42, 43]))], 'WC'], + [[int(item) for item in list(itertools.chain(list(np.arange(50,150))))], 'ACEFGHIKLMNRSTVWYX'], + [[int(item) for item in list(itertools.chain(list(np.arange(160,200))))], 'FGHIKLPQDMNRSTVWYX']] + else: + fixed_position_dict[chain] = [] + else: + for chain in all_chain_list: + fixed_position_dict[chain] = [] + my_dict[result['name']] = fixed_position_dict + +#MODIFY this path +with open('/home/justas/projects/lab_github/mpnn/data/omit_AA.jsonl', 'w') as f: + f.write(json.dumps(my_dict) + '\n') + + +print('Finished') +#e.g. output +#{"5TTA": {"A": [[[1, 2, 3, 7, 8, 9, 22, 25, 33], "GPL"], [[40, 41, 42, 43], "WC"], [[50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149], "ACEFGHIKLMNRSTVWYX"], [[160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199], "FGHIKLPQDMNRSTVWYX"]], "B": []}, "3LIS": {"A": [], "B": []}} diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/other_tools/make_pssm_dict.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/other_tools/make_pssm_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..c6cf83df6febb2ac9e12da3e127dbc9a7ea08d7f --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/other_tools/make_pssm_dict.py @@ -0,0 +1,64 @@ +import pandas as pd +import numpy as np + +import glob +import random +import numpy as np +import json + + +def softmax(x, T): + return np.exp(x/T)/np.sum(np.exp(x/T), -1, keepdims=True) + +def parse_pssm(path): + data = pd.read_csv(path, skiprows=2) + floats_list_list = [] + for i in range(data.values.shape[0]): + str1 = data.values[i][0][4:] + floats_list = [] + for item in str1.split(): + floats_list.append(float(item)) + floats_list_list.append(floats_list) + np_lines = np.array(floats_list_list) + return np_lines + +np_lines = parse_pssm('/home/swang523/RLcage/capsid/monomersfordesign/8-16-21/pssm_rainity_final_8-16-21_int/build_0.2089_0.98_0.4653_19_2.00_0.005745.pssm') + +mpnn_alphabet = 'ACDEFGHIKLMNPQRSTVWYX' +input_alphabet = 'ARNDCQEGHILKMFPSTWYV' + +permutation_matrix = np.zeros([20,21]) +for i in range(20): + letter1 = input_alphabet[i] + for j in range(21): + letter2 = mpnn_alphabet[j] + if letter1 == letter2: + permutation_matrix[i,j]=1. + +pssm_log_odds = np_lines[:,:20] @ permutation_matrix +pssm_probs = np_lines[:,20:40] @ permutation_matrix + +X_mask = np.concatenate([np.zeros([1,20]), np.ones([1,1])], -1) + +def softmax(x, T): + return np.exp(x/T)/np.sum(np.exp(x/T), -1, keepdims=True) + +#Load parsed PDBs: +with open('/home/justas/projects/cages/parsed/test.jsonl', 'r') as json_file: + json_list = list(json_file) + +my_dict = {} +for json_str in json_list: + result = json.loads(json_str) + all_chain_list = [item[-1:] for item in list(result) if item[:9]=='seq_chain'] + pssm_dict = {} + for chain in all_chain_list: + pssm_dict[chain] = {} + pssm_dict[chain]['pssm_coef'] = (np.ones(len(result['seq_chain_A']))).tolist() #a number between 0.0 and 1.0 specifying how much attention put to PSSM, can be adjusted later as a flag + pssm_dict[chain]['pssm_bias'] = (softmax(pssm_log_odds-X_mask*1e8, 1.0)).tolist() #PSSM like, [length, 21] such that sum over the last dimension adds up to 1.0 + pssm_dict[chain]['pssm_log_odds'] = (pssm_log_odds).tolist() + my_dict[result['name']] = pssm_dict + +#Write output to: +with open('/home/justas/projects/lab_github/mpnn/data/pssm_dict.jsonl', 'w') as f: + f.write(json.dumps(my_dict) + '\n') diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.out b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.out new file mode 100644 index 0000000000000000000000000000000000000000..041440f0f4d6ff717535566bb773d3f1a10ba35d --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.out @@ -0,0 +1 @@ +Successfully finished: 2 pdbs diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.py b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.py new file mode 100644 index 0000000000000000000000000000000000000000..48a83d9c4cb07abe4ad4a83b4692b73ba2d361ca --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.py @@ -0,0 +1,155 @@ +import argparse + +def main(args): + + from dateutil import parser + import numpy as np + import os, time, gzip, json + import glob + + folder_with_pdbs_path = args.input_path + save_path = args.output_path + + alpha_1 = list("ARNDCQEGHILKMFPSTWYV-") + states = len(alpha_1) + alpha_3 = ['ALA','ARG','ASN','ASP','CYS','GLN','GLU','GLY','HIS','ILE', + 'LEU','LYS','MET','PHE','PRO','SER','THR','TRP','TYR','VAL','GAP'] + + aa_1_N = {a:n for n,a in enumerate(alpha_1)} + aa_3_N = {a:n for n,a in enumerate(alpha_3)} + aa_N_1 = {n:a for n,a in enumerate(alpha_1)} + aa_1_3 = {a:b for a,b in zip(alpha_1,alpha_3)} + aa_3_1 = {b:a for a,b in zip(alpha_1,alpha_3)} + + def AA_to_N(x): + # ["ARND"] -> [[0,1,2,3]] + x = np.array(x); + if x.ndim == 0: x = x[None] + return [[aa_1_N.get(a, states-1) for a in y] for y in x] + + def N_to_AA(x): + # [[0,1,2,3]] -> ["ARND"] + x = np.array(x); + if x.ndim == 1: x = x[None] + return ["".join([aa_N_1.get(a,"-") for a in y]) for y in x] + + + def parse_PDB_biounits(x, atoms=['N','CA','C'], chain=None): + ''' + input: x = PDB filename + atoms = atoms to extract (optional) + output: (length, atoms, coords=(x,y,z)), sequence + ''' + xyz,seq,min_resn,max_resn = {},{},1e6,-1e6 + for line in open(x,"rb"): + line = line.decode("utf-8","ignore").rstrip() + + if line[:6] == "HETATM" and line[17:17+3] == "MSE": + line = line.replace("HETATM","ATOM ") + line = line.replace("MSE","MET") + + if line[:4] == "ATOM": + ch = line[21:22] + if ch == chain or chain is None: + atom = line[12:12+4].strip() + resi = line[17:17+3] + resn = line[22:22+5].strip() + x,y,z = [float(line[i:(i+8)]) for i in [30,38,46]] + + if resn[-1].isalpha(): + resa,resn = resn[-1],int(resn[:-1])-1 + else: + resa,resn = "",int(resn)-1 + # resn = int(resn) + if resn < min_resn: + min_resn = resn + if resn > max_resn: + max_resn = resn + if resn not in xyz: + xyz[resn] = {} + if resa not in xyz[resn]: + xyz[resn][resa] = {} + if resn not in seq: + seq[resn] = {} + if resa not in seq[resn]: + seq[resn][resa] = resi + + if atom not in xyz[resn][resa]: + xyz[resn][resa][atom] = np.array([x,y,z]) + + # convert to numpy arrays, fill in missing values + seq_,xyz_ = [],[] + try: + for resn in range(min_resn,max_resn+1): + if resn in seq: + for k in sorted(seq[resn]): seq_.append(aa_3_N.get(seq[resn][k],20)) + else: seq_.append(20) + if resn in xyz: + for k in sorted(xyz[resn]): + for atom in atoms: + if atom in xyz[resn][k]: xyz_.append(xyz[resn][k][atom]) + else: xyz_.append(np.full(3,np.nan)) + else: + for atom in atoms: xyz_.append(np.full(3,np.nan)) + return np.array(xyz_).reshape(-1,len(atoms),3), N_to_AA(np.array(seq_)) + except TypeError: + return 'no_chain', 'no_chain' + + + + pdb_dict_list = [] + c = 0 + + if folder_with_pdbs_path[-1]!='/': + folder_with_pdbs_path = folder_with_pdbs_path+'/' + + + init_alphabet = ['A', 'B', 'C', 'D', 'E', 'F', 'G','H', 'I', 'J','K', 'L', 'M', 'N', 'O', 'P', 'Q', 'R', 'S', 'T','U', 'V','W','X', 'Y', 'Z', 'a', 'b', 'c', 'd', 'e', 'f', 'g','h', 'i', 'j','k', 'l', 'm', 'n', 'o', 'p', 'q', 'r', 's', 't','u', 'v','w','x', 'y', 'z'] + extra_alphabet = [str(item) for item in list(np.arange(300))] + chain_alphabet = init_alphabet + extra_alphabet + + biounit_names = glob.glob(folder_with_pdbs_path+'*.pdb') + for biounit in biounit_names: + my_dict = {} + s = 0 + concat_seq = '' + concat_N = [] + concat_CA = [] + concat_C = [] + concat_O = [] + concat_mask = [] + coords_dict = {} + for letter in chain_alphabet: + xyz, seq = parse_PDB_biounits(biounit, atoms=['N','CA','C','O'], chain=letter) + if type(xyz) != str: + concat_seq += seq[0] + my_dict['seq_chain_'+letter]=seq[0] + coords_dict_chain = {} + coords_dict_chain['N_chain_'+letter]=xyz[:,0,:].tolist() + coords_dict_chain['CA_chain_'+letter]=xyz[:,1,:].tolist() + coords_dict_chain['C_chain_'+letter]=xyz[:,2,:].tolist() + coords_dict_chain['O_chain_'+letter]=xyz[:,3,:].tolist() + my_dict['coords_chain_'+letter]=coords_dict_chain + s += 1 + fi = biounit.rfind("/") + my_dict['name']=biounit[(fi+1):-4] + my_dict['num_of_chains'] = s + my_dict['seq'] = concat_seq + if s < len(chain_alphabet): + pdb_dict_list.append(my_dict) + c+=1 + + + with open(save_path, 'w') as f: + for entry in pdb_dict_list: + f.write(json.dumps(entry) + '\n') + + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + + argparser.add_argument("--input_path", type=str, help="Path to a folder with pdb files, e.g. /home/my_pdbs/") + argparser.add_argument("--output_path", type=str, help="Path where to save .jsonl dictionary of parsed pdbs") + + args = argparser.parse_args() + main(args) diff --git a/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.sh b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.sh new file mode 100644 index 0000000000000000000000000000000000000000..c2a8a108b05cc9f81c636b3b48bf58ddb4ce1a02 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/helper_scripts/parse_multiple_chains.sh @@ -0,0 +1,7 @@ +#!/bin/bash +#SBATCH --mem=32g +#SBATCH -c 2 +#SBATCH --output=parse_multiple_chains.out + +source activate mlfold +python parse_multiple_chains.py --input_path='../PDB_complexes/pdbs/' --output_path='../PDB_complexes/parsed_pdbs.jsonl' diff --git a/ProteinMPNN/vanilla_proteinmpnn/protein_mpnn_run.py b/ProteinMPNN/vanilla_proteinmpnn/protein_mpnn_run.py new file mode 100644 index 0000000000000000000000000000000000000000..627b51f4fde61f53cac7b8dd2a3e6f122d536ff8 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/protein_mpnn_run.py @@ -0,0 +1,361 @@ +import argparse +import os.path + +def main(args): + + import json, time, os, sys, glob + import shutil + import warnings + import numpy as np + import torch + from torch import optim + from torch.utils.data import DataLoader + from torch.utils.data.dataset import random_split, Subset + import copy + import torch.nn as nn + import torch.nn.functional as F + import random + import os.path + from protein_mpnn_utils import loss_nll, loss_smoothed, gather_edges, gather_nodes, gather_nodes_t, cat_neighbors_nodes, _scores, _S_to_seq, tied_featurize, parse_PDB + from protein_mpnn_utils import StructureDataset, StructureDatasetPDB, ProteinMPNN + + + hidden_dim = 128 + num_layers = 3 + + + if args.path_to_model_weights: + model_folder_path = args.path_to_model_weights + if model_folder_path[-1] != '/': + model_folder_path = model_folder_path + '/' + else: + file_path = os.path.realpath(__file__) + k = file_path.rfind("/") + model_folder_path = file_path[:k] + '/vanilla_model_weights/' + + checkpoint_path = model_folder_path + f'{args.model_name}.pt' + folder_for_outputs = args.out_folder + + NUM_BATCHES = args.num_seq_per_target//args.batch_size + BATCH_COPIES = args.batch_size + temperatures = [float(item) for item in args.sampling_temp.split()] + omit_AAs_list = args.omit_AAs + alphabet = 'ACDEFGHIKLMNPQRSTVWYX' + + omit_AAs_np = np.array([AA in omit_AAs_list for AA in alphabet]).astype(np.float32) + device = torch.device("cuda:0" if (torch.cuda.is_available()) else "cpu") + if os.path.isfile(args.chain_id_jsonl): + with open(args.chain_id_jsonl, 'r') as json_file: + json_list = list(json_file) + for json_str in json_list: + chain_id_dict = json.loads(json_str) + else: + chain_id_dict = None + print(40*'-') + print('chain_id_jsonl is NOT loaded') + + if os.path.isfile(args.fixed_positions_jsonl): + with open(args.fixed_positions_jsonl, 'r') as json_file: + json_list = list(json_file) + for json_str in json_list: + fixed_positions_dict = json.loads(json_str) + else: + print(40*'-') + print('fixed_positions_jsonl is NOT loaded') + fixed_positions_dict = None + + + if os.path.isfile(args.pssm_jsonl): + with open(args.pssm_jsonl, 'r') as json_file: + json_list = list(json_file) + pssm_dict = {} + for json_str in json_list: + pssm_dict.update(json.loads(json_str)) + else: + print(40*'-') + print('pssm_jsonl is NOT loaded') + pssm_dict = None + + + if os.path.isfile(args.omit_AA_jsonl): + with open(args.omit_AA_jsonl, 'r') as json_file: + json_list = list(json_file) + for json_str in json_list: + omit_AA_dict = json.loads(json_str) + else: + print(40*'-') + print('omit_AA_jsonl is NOT loaded') + omit_AA_dict = None + + + if os.path.isfile(args.bias_AA_jsonl): + with open(args.bias_AA_jsonl, 'r') as json_file: + json_list = list(json_file) + for json_str in json_list: + bias_AA_dict = json.loads(json_str) + else: + print(40*'-') + print('bias_AA_jsonl is NOT loaded') + bias_AA_dict = None + + + if os.path.isfile(args.tied_positions_jsonl): + with open(args.tied_positions_jsonl, 'r') as json_file: + json_list = list(json_file) + for json_str in json_list: + tied_positions_dict = json.loads(json_str) + else: + print(40*'-') + print('tied_positions_jsonl is NOT loaded') + tied_positions_dict = None + + + if os.path.isfile(args.bias_by_res_jsonl): + with open(args.bias_by_res_jsonl, 'r') as json_file: + json_list = list(json_file) + + for json_str in json_list: + bias_by_res_dict = json.loads(json_str) + print('bias by residue dictionary is loaded') + else: + print(40*'-') + print('bias by residue dictionary is not loaded, or not provided') + bias_by_res_dict = None + + + + print(40*'-') + bias_AAs_np = np.zeros(len(alphabet)) + if bias_AA_dict: + for n, AA in enumerate(alphabet): + if AA in list(bias_AA_dict.keys()): + bias_AAs_np[n] = bias_AA_dict[AA] + + if args.pdb_path: + pdb_dict_list = parse_PDB(args.pdb_path) + dataset_valid = StructureDatasetPDB(pdb_dict_list, truncate=None, max_length=args.max_length) + all_chain_list = [item[-1:] for item in list(pdb_dict_list[0]) if item[:9]=='seq_chain'] #['A','B', 'C',...] + if args.pdb_path_chains: + designed_chain_list = [str(item) for item in args.pdb_path_chains.split()] + else: + designed_chain_list = all_chain_list + fixed_chain_list = [letter for letter in all_chain_list if letter not in designed_chain_list] + chain_id_dict = {} + chain_id_dict[pdb_dict_list[0]['name']]= (designed_chain_list, fixed_chain_list) + else: + dataset_valid = StructureDataset(args.jsonl_path, truncate=None, max_length=args.max_length) + + print(40*'-') + checkpoint = torch.load(checkpoint_path, map_location=device) + print('Number of edges:', checkpoint['num_edges']) + noise_level_print = checkpoint['noise_level'] + print(f'Training noise level: {noise_level_print}A') + model = ProteinMPNN(num_letters=21, node_features=hidden_dim, edge_features=hidden_dim, hidden_dim=hidden_dim, num_encoder_layers=num_layers, num_decoder_layers=num_layers, augment_eps=args.backbone_noise, k_neighbors=checkpoint['num_edges']) + model.to(device) + model.load_state_dict(checkpoint['model_state_dict']) + model.eval() + + # Build paths for experiment + base_folder = folder_for_outputs + if base_folder[-1] != '/': + base_folder = base_folder + '/' + if not os.path.exists(base_folder): + os.makedirs(base_folder) + + if not os.path.exists(base_folder + 'seqs'): + os.makedirs(base_folder + 'seqs') + + if args.save_score: + if not os.path.exists(base_folder + 'scores'): + os.makedirs(base_folder + 'scores') + + if args.score_only: + if not os.path.exists(base_folder + 'score_only'): + os.makedirs(base_folder + 'score_only') + + + if args.conditional_probs_only: + if not os.path.exists(base_folder + 'conditional_probs_only'): + os.makedirs(base_folder + 'conditional_probs_only') + + + if args.save_probs: + if not os.path.exists(base_folder + 'probs'): + os.makedirs(base_folder + 'probs') + + # Timing + start_time = time.time() + total_residues = 0 + protein_list = [] + total_step = 0 + # Validation epoch + with torch.no_grad(): + test_sum, test_weights = 0., 0. + #print('Generating sequences...') + for ix, protein in enumerate(dataset_valid): + score_list = [] + all_probs_list = [] + all_log_probs_list = [] + S_sample_list = [] + batch_clones = [copy.deepcopy(protein) for i in range(BATCH_COPIES)] + X, S, mask, lengths, chain_M, chain_encoding_all, chain_list_list, visible_list_list, masked_list_list, masked_chain_length_list_list, chain_M_pos, omit_AA_mask, residue_idx, dihedral_mask, tied_pos_list_of_lists_list, pssm_coef, pssm_bias, pssm_log_odds_all, bias_by_res_all, tied_beta = tied_featurize(batch_clones, device, chain_id_dict, fixed_positions_dict, omit_AA_dict, tied_positions_dict, pssm_dict, bias_by_res_dict) + pssm_log_odds_mask = (pssm_log_odds_all > args.pssm_threshold).float() #1.0 for true, 0.0 for false + name_ = batch_clones[0]['name'] + if args.score_only: + structure_sequence_score_file = base_folder + '/score_only/' + batch_clones[0]['name'] + '.npy' + native_score_list = [] + for j in range(NUM_BATCHES): + randn_1 = torch.randn(chain_M.shape, device=X.device) + log_probs = model(X, S, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_1) + mask_for_loss = mask*chain_M*chain_M_pos + scores = _scores(S, log_probs, mask_for_loss) + native_score = scores.cpu().data.numpy() + native_score_list.append(native_score) + native_score = np.concatenate(native_score_list, 0) + ns_mean = native_score.mean() + ns_mean_print = np.format_float_positional(np.float32(ns_mean), unique=False, precision=4) + ns_std = native_score.std() + ns_std_print = np.format_float_positional(np.float32(ns_std), unique=False, precision=4) + ns_sample_size = native_score.shape[0] + np.save(structure_sequence_score_file, native_score) + print(f'Score for {name_}, mean: {ns_mean_print}, std: {ns_std_print}, sample size: {ns_sample_size}') + elif args.conditional_probs_only: + print(f'Calculating conditional probabilities for {name_}') + conditional_probs_only_file = base_folder + '/conditional_probs_only/' + batch_clones[0]['name'] + log_conditional_probs_list = [] + for j in range(NUM_BATCHES): + randn_1 = torch.randn(chain_M.shape, device=X.device) + log_conditional_probs = model.conditional_probs(X, S, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_1, args.conditional_probs_only_backbone) + log_conditional_probs_list.append(log_conditional_probs.cpu().numpy()) + concat_log_p = np.concatenate(log_conditional_probs_list, 0) #[B, L, 21] + mask_out = (chain_M*chain_M_pos*mask)[0,].cpu().numpy() + np.savez(conditional_probs_only_file, log_p=concat_log_p, S=S[0,].cpu().numpy(), mask=mask[0,].cpu().numpy(), design_mask=mask_out) + else: + randn_1 = torch.randn(chain_M.shape, device=X.device) + log_probs = model(X, S, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_1) + mask_for_loss = mask*chain_M*chain_M_pos + scores = _scores(S, log_probs, mask_for_loss) + native_score = scores.cpu().data.numpy() + # Generate some sequences + ali_file = base_folder + '/seqs/' + batch_clones[0]['name'] + '.fa' + score_file = base_folder + '/scores/' + batch_clones[0]['name'] + '.npy' + probs_file = base_folder + '/probs/' + batch_clones[0]['name'] + '.npz' + print(f'Generating sequences for: {name_}') + t0 = time.time() + with open(ali_file, 'w') as f: + for temp in temperatures: + for j in range(NUM_BATCHES): + randn_2 = torch.randn(chain_M.shape, device=X.device) + if tied_positions_dict == None: + sample_dict = model.sample(X, randn_2, S, chain_M, chain_encoding_all, residue_idx, mask=mask, temperature=temp, omit_AAs_np=omit_AAs_np, bias_AAs_np=bias_AAs_np, chain_M_pos=chain_M_pos, omit_AA_mask=omit_AA_mask, pssm_coef=pssm_coef, pssm_bias=pssm_bias, pssm_multi=args.pssm_multi, pssm_log_odds_flag=bool(args.pssm_log_odds_flag), pssm_log_odds_mask=pssm_log_odds_mask, pssm_bias_flag=bool(args.pssm_bias_flag), bias_by_res=bias_by_res_all) + S_sample = sample_dict["S"] + else: + sample_dict = model.tied_sample(X, randn_2, S, chain_M, chain_encoding_all, residue_idx, mask=mask, temperature=temp, omit_AAs_np=omit_AAs_np, bias_AAs_np=bias_AAs_np, chain_M_pos=chain_M_pos, omit_AA_mask=omit_AA_mask, pssm_coef=pssm_coef, pssm_bias=pssm_bias, pssm_multi=args.pssm_multi, pssm_log_odds_flag=bool(args.pssm_log_odds_flag), pssm_log_odds_mask=pssm_log_odds_mask, pssm_bias_flag=bool(args.pssm_bias_flag), tied_pos=tied_pos_list_of_lists_list[0], tied_beta=tied_beta, bias_by_res=bias_by_res_all) + # Compute scores + S_sample = sample_dict["S"] + log_probs = model(X, S_sample, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_2, use_input_decoding_order=True, decoding_order=sample_dict["decoding_order"]) + mask_for_loss = mask*chain_M*chain_M_pos + scores = _scores(S_sample, log_probs, mask_for_loss) + scores = scores.cpu().data.numpy() + all_probs_list.append(sample_dict["probs"].cpu().data.numpy()) + all_log_probs_list.append(log_probs.cpu().data.numpy()) + S_sample_list.append(S_sample.cpu().data.numpy()) + for b_ix in range(BATCH_COPIES): + masked_chain_length_list = masked_chain_length_list_list[b_ix] + masked_list = masked_list_list[b_ix] + seq_recovery_rate = torch.sum(torch.sum(torch.nn.functional.one_hot(S[b_ix], 21)*torch.nn.functional.one_hot(S_sample[b_ix], 21),axis=-1)*mask_for_loss[b_ix])/torch.sum(mask_for_loss[b_ix]) + seq = _S_to_seq(S_sample[b_ix], chain_M[b_ix]) + score = scores[b_ix] + score_list.append(score) + native_seq = _S_to_seq(S[b_ix], chain_M[b_ix]) + if b_ix == 0 and j==0 and temp==temperatures[0]: + start = 0 + end = 0 + list_of_AAs = [] + for mask_l in masked_chain_length_list: + end += mask_l + list_of_AAs.append(native_seq[start:end]) + start = end + native_seq = "".join(list(np.array(list_of_AAs)[np.argsort(masked_list)])) + l0 = 0 + for mc_length in list(np.array(masked_chain_length_list)[np.argsort(masked_list)])[:-1]: + l0 += mc_length + native_seq = native_seq[:l0] + '/' + native_seq[l0:] + l0 += 1 + sorted_masked_chain_letters = np.argsort(masked_list_list[0]) + print_masked_chains = [masked_list_list[0][i] for i in sorted_masked_chain_letters] + sorted_visible_chain_letters = np.argsort(visible_list_list[0]) + print_visible_chains = [visible_list_list[0][i] for i in sorted_visible_chain_letters] + native_score_print = np.format_float_positional(np.float32(native_score.mean()), unique=False, precision=4) + f.write('>{}, score={}, fixed_chains={}, designed_chains={}, model_name={}\n{}\n'.format(name_, native_score_print, print_visible_chains, print_masked_chains, args.model_name, native_seq)) #write the native sequence + start = 0 + end = 0 + list_of_AAs = [] + for mask_l in masked_chain_length_list: + end += mask_l + list_of_AAs.append(seq[start:end]) + start = end + + seq = "".join(list(np.array(list_of_AAs)[np.argsort(masked_list)])) + l0 = 0 + for mc_length in list(np.array(masked_chain_length_list)[np.argsort(masked_list)])[:-1]: + l0 += mc_length + seq = seq[:l0] + '/' + seq[l0:] + l0 += 1 + score_print = np.format_float_positional(np.float32(score), unique=False, precision=4) + seq_rec_print = np.format_float_positional(np.float32(seq_recovery_rate.detach().cpu().numpy()), unique=False, precision=4) + f.write('>T={}, sample={}, score={}, seq_recovery={}\n{}\n'.format(temp,b_ix,score_print,seq_rec_print,seq)) #write generated sequence + if args.save_score: + np.save(score_file, np.array(score_list, np.float32)) + if args.save_probs: + all_probs_concat = np.concatenate(all_probs_list) + all_log_probs_concat = np.concatenate(all_log_probs_list) + S_sample_concat = np.concatenate(S_sample_list) + np.savez(probs_file, probs=np.array(all_probs_concat, np.float32), log_probs=np.array(all_log_probs_concat, np.float32), S=np.array(S_sample_concat, np.int32), mask=mask_for_loss.cpu().data.numpy(), chain_order=chain_list_list) + t1 = time.time() + dt = round(float(t1-t0), 4) + num_seqs = len(temperatures)*NUM_BATCHES*BATCH_COPIES + total_length = X.shape[1] + print(f'{num_seqs} sequences of length {total_length} generated in {dt} seconds') + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + + argparser.add_argument("--path_to_model_weights", type=str, default="", help="Path to model weights folder;") + argparser.add_argument("--model_name", type=str, default="v_48_020", help="ProteinMPNN model name: v_48_002, v_48_010, v_48_020, v_48_030, v_32_002, v_32_010; v_32_020, v_32_030; v_48_010=version with 48 edges 0.10A noise") + + argparser.add_argument("--save_score", type=int, default=0, help="0 for False, 1 for True; save score=-log_prob to npy files") + argparser.add_argument("--save_probs", type=int, default=0, help="0 for False, 1 for True; save MPNN predicted probabilites per position") + + argparser.add_argument("--score_only", type=int, default=0, help="0 for False, 1 for True; score input backbone-sequence pairs") + + argparser.add_argument("--conditional_probs_only", type=int, default=0, help="0 for False, 1 for True; output conditional probabilities p(s_i given the rest of the sequence and backbone)") + argparser.add_argument("--conditional_probs_only_backbone", type=int, default=0, help="0 for False, 1 for True; if true output conditional probabilities p(s_i given backbone)") + + argparser.add_argument("--backbone_noise", type=float, default=0.00, help="Standard deviation of Gaussian noise to add to backbone atoms") + argparser.add_argument("--num_seq_per_target", type=int, default=1, help="Number of sequences to generate per target") + argparser.add_argument("--batch_size", type=int, default=1, help="Batch size; can set higher for titan, quadro GPUs, reduce this if running out of GPU memory") + argparser.add_argument("--max_length", type=int, default=20000, help="Max sequence length") + argparser.add_argument("--sampling_temp", type=str, default="0.1", help="A string of temperatures, 0.2 0.25 0.5. Sampling temperature for amino acids, T=0.0 means taking argmax, T>>1.0 means sample randomly. Suggested values 0.1, 0.15, 0.2, 0.25, 0.3. Higher values will lead to more diversity.") + + argparser.add_argument("--out_folder", type=str, help="Path to a folder to output sequences, e.g. /home/out/") + argparser.add_argument("--pdb_path", type=str, default='', help="Path to a single PDB to be designed") + argparser.add_argument("--pdb_path_chains", type=str, default='', help="Define which chains need to be designed for a single PDB ") + argparser.add_argument("--jsonl_path", type=str, help="Path to a folder with parsed pdb into jsonl") + argparser.add_argument("--chain_id_jsonl",type=str, default='', help="Path to a dictionary specifying which chains need to be designed and which ones are fixed, if not specied all chains will be designed.") + argparser.add_argument("--fixed_positions_jsonl", type=str, default='', help="Path to a dictionary with fixed positions") + argparser.add_argument("--omit_AAs", type=list, default='X', help="Specify which amino acids should be omitted in the generated sequence, e.g. 'AC' would omit alanine and cystine.") + argparser.add_argument("--bias_AA_jsonl", type=str, default='', help="Path to a dictionary which specifies AA composion bias if neededi, e.g. {A: -1.1, F: 0.7} would make A less likely and F more likely.") + + argparser.add_argument("--bias_by_res_jsonl", default='', help="Path to dictionary with per position bias.") + argparser.add_argument("--omit_AA_jsonl", type=str, default='', help="Path to a dictionary which specifies which amino acids need to be omited from design at specific chain indices") + argparser.add_argument("--pssm_jsonl", type=str, default='', help="Path to a dictionary with pssm") + argparser.add_argument("--pssm_multi", type=float, default=0.0, help="A value between [0.0, 1.0], 0.0 means do not use pssm, 1.0 ignore MPNN predictions") + argparser.add_argument("--pssm_threshold", type=float, default=0.0, help="A value between -inf + inf to restric per position AAs") + argparser.add_argument("--pssm_log_odds_flag", type=int, default=0, help="0 for False, 1 for True") + argparser.add_argument("--pssm_bias_flag", type=int, default=0, help="0 for False, 1 for True") + + argparser.add_argument("--tied_positions_jsonl", type=str, default='', help="Path to a dictionary with tied positions") + + args = argparser.parse_args() + main(args) diff --git a/ProteinMPNN/vanilla_proteinmpnn/protein_mpnn_utils.py b/ProteinMPNN/vanilla_proteinmpnn/protein_mpnn_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..e53e78cec5bf5e372e73189c16533b1ea0f48b62 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/protein_mpnn_utils.py @@ -0,0 +1,1118 @@ +from __future__ import print_function +import json, time, os, sys, glob +import shutil +import numpy as np +import torch +from torch import optim +from torch.utils.data import DataLoader +from torch.utils.data.dataset import random_split, Subset + +import copy +import torch.nn as nn +import torch.nn.functional as F +import random +import itertools + +#A number of functions/classes are adopted from: https://github.com/jingraham/neurips19-graph-protein-design + +def _scores(S, log_probs, mask): + """ Negative log probabilities """ + criterion = torch.nn.NLLLoss(reduction='none') + loss = criterion( + log_probs.contiguous().view(-1,log_probs.size(-1)), + S.contiguous().view(-1) + ).view(S.size()) + scores = torch.sum(loss * mask, dim=-1) / torch.sum(mask, dim=-1) + return scores + +def _S_to_seq(S, mask): + alphabet = 'ACDEFGHIKLMNPQRSTVWYX' + seq = ''.join([alphabet[c] for c, m in zip(S.tolist(), mask.tolist()) if m > 0]) + return seq + +def parse_PDB_biounits(x, atoms=['N','CA','C'], chain=None): + ''' + input: x = PDB filename + atoms = atoms to extract (optional) + output: (length, atoms, coords=(x,y,z)), sequence + ''' + + alpha_1 = list("ARNDCQEGHILKMFPSTWYV-") + states = len(alpha_1) + alpha_3 = ['ALA','ARG','ASN','ASP','CYS','GLN','GLU','GLY','HIS','ILE', + 'LEU','LYS','MET','PHE','PRO','SER','THR','TRP','TYR','VAL','GAP'] + + aa_1_N = {a:n for n,a in enumerate(alpha_1)} + aa_3_N = {a:n for n,a in enumerate(alpha_3)} + aa_N_1 = {n:a for n,a in enumerate(alpha_1)} + aa_1_3 = {a:b for a,b in zip(alpha_1,alpha_3)} + aa_3_1 = {b:a for a,b in zip(alpha_1,alpha_3)} + + def AA_to_N(x): + # ["ARND"] -> [[0,1,2,3]] + x = np.array(x); + if x.ndim == 0: x = x[None] + return [[aa_1_N.get(a, states-1) for a in y] for y in x] + + def N_to_AA(x): + # [[0,1,2,3]] -> ["ARND"] + x = np.array(x); + if x.ndim == 1: x = x[None] + return ["".join([aa_N_1.get(a,"-") for a in y]) for y in x] + + xyz,seq,min_resn,max_resn = {},{},1e6,-1e6 + for line in open(x,"rb"): + line = line.decode("utf-8","ignore").rstrip() + + if line[:6] == "HETATM" and line[17:17+3] == "MSE": + line = line.replace("HETATM","ATOM ") + line = line.replace("MSE","MET") + + if line[:4] == "ATOM": + ch = line[21:22] + if ch == chain or chain is None: + atom = line[12:12+4].strip() + resi = line[17:17+3] + resn = line[22:22+5].strip() + x,y,z = [float(line[i:(i+8)]) for i in [30,38,46]] + + if resn[-1].isalpha(): + resa,resn = resn[-1],int(resn[:-1])-1 + else: + resa,resn = "",int(resn)-1 +# resn = int(resn) + if resn < min_resn: + min_resn = resn + if resn > max_resn: + max_resn = resn + if resn not in xyz: + xyz[resn] = {} + if resa not in xyz[resn]: + xyz[resn][resa] = {} + if resn not in seq: + seq[resn] = {} + if resa not in seq[resn]: + seq[resn][resa] = resi + + if atom not in xyz[resn][resa]: + xyz[resn][resa][atom] = np.array([x,y,z]) + + # convert to numpy arrays, fill in missing values + seq_,xyz_ = [],[] + try: + for resn in range(min_resn,max_resn+1): + if resn in seq: + for k in sorted(seq[resn]): seq_.append(aa_3_N.get(seq[resn][k],20)) + else: seq_.append(20) + if resn in xyz: + for k in sorted(xyz[resn]): + for atom in atoms: + if atom in xyz[resn][k]: xyz_.append(xyz[resn][k][atom]) + else: xyz_.append(np.full(3,np.nan)) + else: + for atom in atoms: xyz_.append(np.full(3,np.nan)) + return np.array(xyz_).reshape(-1,len(atoms),3), N_to_AA(np.array(seq_)) + except TypeError: + return 'no_chain', 'no_chain' + +def parse_PDB(path_to_pdb, input_chain_list=None): + c=0 + pdb_dict_list = [] + init_alphabet = ['A', 'B', 'C', 'D', 'E', 'F', 'G','H', 'I', 'J','K', 'L', 'M', 'N', 'O', 'P', 'Q', 'R', 'S', 'T','U', 'V','W','X', 'Y', 'Z', 'a', 'b', 'c', 'd', 'e', 'f', 'g','h', 'i', 'j','k', 'l', 'm', 'n', 'o', 'p', 'q', 'r', 's', 't','u', 'v','w','x', 'y', 'z'] + extra_alphabet = [str(item) for item in list(np.arange(300))] + chain_alphabet = init_alphabet + extra_alphabet + + if input_chain_list: + chain_alphabet = input_chain_list + + + biounit_names = [path_to_pdb] + for biounit in biounit_names: + my_dict = {} + s = 0 + concat_seq = '' + concat_N = [] + concat_CA = [] + concat_C = [] + concat_O = [] + concat_mask = [] + coords_dict = {} + for letter in chain_alphabet: + xyz, seq = parse_PDB_biounits(biounit, atoms=['N','CA','C','O'], chain=letter) + if type(xyz) != str: + concat_seq += seq[0] + my_dict['seq_chain_'+letter]=seq[0] + coords_dict_chain = {} + coords_dict_chain['N_chain_'+letter]=xyz[:,0,:].tolist() + coords_dict_chain['CA_chain_'+letter]=xyz[:,1,:].tolist() + coords_dict_chain['C_chain_'+letter]=xyz[:,2,:].tolist() + coords_dict_chain['O_chain_'+letter]=xyz[:,3,:].tolist() + my_dict['coords_chain_'+letter]=coords_dict_chain + s += 1 + fi = biounit.rfind("/") + my_dict['name']=biounit[(fi+1):-4] + my_dict['num_of_chains'] = s + my_dict['seq'] = concat_seq + if s <= len(chain_alphabet): + pdb_dict_list.append(my_dict) + c+=1 + return pdb_dict_list + + + +def tied_featurize(batch, device, chain_dict, fixed_position_dict=None, omit_AA_dict=None, tied_positions_dict=None, pssm_dict=None, bias_by_res_dict=None): + """ Pack and pad batch into torch tensors """ + alphabet = 'ACDEFGHIKLMNPQRSTVWYX' + B = len(batch) + lengths = np.array([len(b['seq']) for b in batch], dtype=np.int32) #sum of chain seq lengths + L_max = max([len(b['seq']) for b in batch]) + X = np.zeros([B, L_max, 4, 3]) + residue_idx = -100*np.ones([B, L_max], dtype=np.int32) + chain_M = np.zeros([B, L_max], dtype=np.int32) #1.0 for the bits that need to be predicted + pssm_coef_all = np.zeros([B, L_max], dtype=np.float32) #1.0 for the bits that need to be predicted + pssm_bias_all = np.zeros([B, L_max, 21], dtype=np.float32) #1.0 for the bits that need to be predicted + pssm_log_odds_all = 10000.0*np.ones([B, L_max, 21], dtype=np.float32) #1.0 for the bits that need to be predicted + chain_M_pos = np.zeros([B, L_max], dtype=np.int32) #1.0 for the bits that need to be predicted + bias_by_res_all = np.zeros([B, L_max, 21], dtype=np.float32) + chain_encoding_all = np.zeros([B, L_max], dtype=np.int32) #1.0 for the bits that need to be predicted + S = np.zeros([B, L_max], dtype=np.int32) + omit_AA_mask = np.zeros([B, L_max, len(alphabet)], dtype=np.int32) + # Build the batch + letter_list_list = [] + visible_list_list = [] + masked_list_list = [] + masked_chain_length_list_list = [] + tied_pos_list_of_lists_list = [] + #shuffle all chains before the main loop + for i, b in enumerate(batch): + if chain_dict != None: + masked_chains, visible_chains = chain_dict[b['name']] #masked_chains a list of chain letters to predict [A, D, F] + else: + masked_chains = [item[-1:] for item in list(b) if item[:10]=='seq_chain_'] + visible_chains = [] + num_chains = b['num_of_chains'] + all_chains = masked_chains + visible_chains + #random.shuffle(all_chains) + for i, b in enumerate(batch): + mask_dict = {} + a = 0 + x_chain_list = [] + chain_mask_list = [] + chain_seq_list = [] + chain_encoding_list = [] + c = 1 + letter_list = [] + global_idx_start_list = [0] + visible_list = [] + masked_list = [] + masked_chain_length_list = [] + fixed_position_mask_list = [] + omit_AA_mask_list = [] + pssm_coef_list = [] + pssm_bias_list = [] + pssm_log_odds_list = [] + bias_by_res_list = [] + l0 = 0 + l1 = 0 + for step, letter in enumerate(all_chains): + if letter in visible_chains: + letter_list.append(letter) + visible_list.append(letter) + chain_seq = b[f'seq_chain_{letter}'] + chain_seq = ''.join([a if a!='-' else 'X' for a in chain_seq]) + chain_length = len(chain_seq) + global_idx_start_list.append(global_idx_start_list[-1]+chain_length) + chain_coords = b[f'coords_chain_{letter}'] #this is a dictionary + chain_mask = np.zeros(chain_length) #0.0 for visible chains + x_chain = np.stack([chain_coords[c] for c in [f'N_chain_{letter}', f'CA_chain_{letter}', f'C_chain_{letter}', f'O_chain_{letter}']], 1) #[chain_lenght,4,3] + x_chain_list.append(x_chain) + chain_mask_list.append(chain_mask) + chain_seq_list.append(chain_seq) + chain_encoding_list.append(c*np.ones(np.array(chain_mask).shape[0])) + l1 += chain_length + residue_idx[i, l0:l1] = 100*(c-1)+np.arange(l0, l1) + l0 += chain_length + c+=1 + fixed_position_mask = np.ones(chain_length) + fixed_position_mask_list.append(fixed_position_mask) + omit_AA_mask_temp = np.zeros([chain_length, len(alphabet)], np.int32) + omit_AA_mask_list.append(omit_AA_mask_temp) + pssm_coef = np.zeros(chain_length) + pssm_bias = np.zeros([chain_length, 21]) + pssm_log_odds = 10000.0*np.ones([chain_length, 21]) + pssm_coef_list.append(pssm_coef) + pssm_bias_list.append(pssm_bias) + pssm_log_odds_list.append(pssm_log_odds) + bias_by_res_list.append(np.zeros([chain_length, 21])) + if letter in masked_chains: + masked_list.append(letter) + letter_list.append(letter) + chain_seq = b[f'seq_chain_{letter}'] + chain_seq = ''.join([a if a!='-' else 'X' for a in chain_seq]) + chain_length = len(chain_seq) + global_idx_start_list.append(global_idx_start_list[-1]+chain_length) + masked_chain_length_list.append(chain_length) + chain_coords = b[f'coords_chain_{letter}'] #this is a dictionary + chain_mask = np.ones(chain_length) #1.0 for masked + x_chain = np.stack([chain_coords[c] for c in [f'N_chain_{letter}', f'CA_chain_{letter}', f'C_chain_{letter}', f'O_chain_{letter}']], 1) #[chain_lenght,4,3] + x_chain_list.append(x_chain) + chain_mask_list.append(chain_mask) + chain_seq_list.append(chain_seq) + chain_encoding_list.append(c*np.ones(np.array(chain_mask).shape[0])) + l1 += chain_length + residue_idx[i, l0:l1] = 100*(c-1)+np.arange(l0, l1) + l0 += chain_length + c+=1 + fixed_position_mask = np.ones(chain_length) + if fixed_position_dict!=None: + fixed_pos_list = fixed_position_dict[b['name']][letter] + if fixed_pos_list: + fixed_position_mask[np.array(fixed_pos_list)-1] = 0.0 + fixed_position_mask_list.append(fixed_position_mask) + omit_AA_mask_temp = np.zeros([chain_length, len(alphabet)], np.int32) + if omit_AA_dict!=None: + for item in omit_AA_dict[b['name']][letter]: + idx_AA = np.array(item[0])-1 + AA_idx = np.array([np.argwhere(np.array(list(alphabet))== AA)[0][0] for AA in item[1]]).repeat(idx_AA.shape[0]) + idx_ = np.array([[a, b] for a in idx_AA for b in AA_idx]) + omit_AA_mask_temp[idx_[:,0], idx_[:,1]] = 1 + omit_AA_mask_list.append(omit_AA_mask_temp) + pssm_coef = np.zeros(chain_length) + pssm_bias = np.zeros([chain_length, 21]) + pssm_log_odds = 10000.0*np.ones([chain_length, 21]) + if pssm_dict: + if pssm_dict[b['name']][letter]: + pssm_coef = pssm_dict[b['name']][letter]['pssm_coef'] + pssm_bias = pssm_dict[b['name']][letter]['pssm_bias'] + pssm_log_odds = pssm_dict[b['name']][letter]['pssm_log_odds'] + pssm_coef_list.append(pssm_coef) + pssm_bias_list.append(pssm_bias) + pssm_log_odds_list.append(pssm_log_odds) + if bias_by_res_dict: + bias_by_res_list.append(bias_by_res_dict[b['name']][letter]) + else: + bias_by_res_list.append(np.zeros([chain_length, 21])) + + + letter_list_np = np.array(letter_list) + tied_pos_list_of_lists = [] + tied_beta = np.ones(L_max) + if tied_positions_dict!=None: + tied_pos_list = tied_positions_dict[b['name']] + if tied_pos_list: + set_chains_tied = set(list(itertools.chain(*[list(item) for item in tied_pos_list]))) + for tied_item in tied_pos_list: + one_list = [] + for k, v in tied_item.items(): + start_idx = global_idx_start_list[np.argwhere(letter_list_np == k)[0][0]] + if isinstance(v[0], list): + for v_count in range(len(v[0])): + one_list.append(start_idx+v[0][v_count]-1)#make 0 to be the first + tied_beta[start_idx+v[0][v_count]-1] = v[1][v_count] + else: + for v_ in v: + one_list.append(start_idx+v_-1)#make 0 to be the first + tied_pos_list_of_lists.append(one_list) + tied_pos_list_of_lists_list.append(tied_pos_list_of_lists) + + + + x = np.concatenate(x_chain_list,0) #[L, 4, 3] + all_sequence = "".join(chain_seq_list) + m = np.concatenate(chain_mask_list,0) #[L,], 1.0 for places that need to be predicted + chain_encoding = np.concatenate(chain_encoding_list,0) + m_pos = np.concatenate(fixed_position_mask_list,0) #[L,], 1.0 for places that need to be predicted + + pssm_coef_ = np.concatenate(pssm_coef_list,0) #[L,], 1.0 for places that need to be predicted + pssm_bias_ = np.concatenate(pssm_bias_list,0) #[L,], 1.0 for places that need to be predicted + pssm_log_odds_ = np.concatenate(pssm_log_odds_list,0) #[L,], 1.0 for places that need to be predicted + + bias_by_res_ = np.concatenate(bias_by_res_list, 0) #[L,21], 0.0 for places where AA frequencies don't need to be tweaked + + l = len(all_sequence) + x_pad = np.pad(x, [[0,L_max-l], [0,0], [0,0]], 'constant', constant_values=(np.nan, )) + X[i,:,:,:] = x_pad + + m_pad = np.pad(m, [[0,L_max-l]], 'constant', constant_values=(0.0, )) + m_pos_pad = np.pad(m_pos, [[0,L_max-l]], 'constant', constant_values=(0.0, )) + omit_AA_mask_pad = np.pad(np.concatenate(omit_AA_mask_list,0), [[0,L_max-l]], 'constant', constant_values=(0.0, )) + chain_M[i,:] = m_pad + chain_M_pos[i,:] = m_pos_pad + omit_AA_mask[i,] = omit_AA_mask_pad + + chain_encoding_pad = np.pad(chain_encoding, [[0,L_max-l]], 'constant', constant_values=(0.0, )) + chain_encoding_all[i,:] = chain_encoding_pad + + pssm_coef_pad = np.pad(pssm_coef_, [[0,L_max-l]], 'constant', constant_values=(0.0, )) + pssm_bias_pad = np.pad(pssm_bias_, [[0,L_max-l], [0,0]], 'constant', constant_values=(0.0, )) + pssm_log_odds_pad = np.pad(pssm_log_odds_, [[0,L_max-l], [0,0]], 'constant', constant_values=(0.0, )) + + pssm_coef_all[i,:] = pssm_coef_pad + pssm_bias_all[i,:] = pssm_bias_pad + pssm_log_odds_all[i,:] = pssm_log_odds_pad + + bias_by_res_pad = np.pad(bias_by_res_, [[0,L_max-l], [0,0]], 'constant', constant_values=(0.0, )) + bias_by_res_all[i,:] = bias_by_res_pad + + # Convert to labels + indices = np.asarray([alphabet.index(a) for a in all_sequence], dtype=np.int32) + S[i, :l] = indices + letter_list_list.append(letter_list) + visible_list_list.append(visible_list) + masked_list_list.append(masked_list) + masked_chain_length_list_list.append(masked_chain_length_list) + + + isnan = np.isnan(X) + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) + X[isnan] = 0. + + # Conversion + pssm_coef_all = torch.from_numpy(pssm_coef_all).to(dtype=torch.float32, device=device) + pssm_bias_all = torch.from_numpy(pssm_bias_all).to(dtype=torch.float32, device=device) + pssm_log_odds_all = torch.from_numpy(pssm_log_odds_all).to(dtype=torch.float32, device=device) + + tied_beta = torch.from_numpy(tied_beta).to(dtype=torch.float32, device=device) + + jumps = ((residue_idx[:,1:]-residue_idx[:,:-1])==1).astype(np.float32) + bias_by_res_all = torch.from_numpy(bias_by_res_all).to(dtype=torch.float32, device=device) + phi_mask = np.pad(jumps, [[0,0],[1,0]]) + psi_mask = np.pad(jumps, [[0,0],[0,1]]) + omega_mask = np.pad(jumps, [[0,0],[0,1]]) + dihedral_mask = np.concatenate([phi_mask[:,:,None], psi_mask[:,:,None], omega_mask[:,:,None]], -1) #[B,L,3] + dihedral_mask = torch.from_numpy(dihedral_mask).to(dtype=torch.float32, device=device) + residue_idx = torch.from_numpy(residue_idx).to(dtype=torch.long,device=device) + S = torch.from_numpy(S).to(dtype=torch.long,device=device) + X = torch.from_numpy(X).to(dtype=torch.float32, device=device) + mask = torch.from_numpy(mask).to(dtype=torch.float32, device=device) + chain_M = torch.from_numpy(chain_M).to(dtype=torch.float32, device=device) + chain_M_pos = torch.from_numpy(chain_M_pos).to(dtype=torch.float32, device=device) + omit_AA_mask = torch.from_numpy(omit_AA_mask).to(dtype=torch.float32, device=device) + chain_encoding_all = torch.from_numpy(chain_encoding_all).to(dtype=torch.long, device=device) + return X, S, mask, lengths, chain_M, chain_encoding_all, letter_list_list, visible_list_list, masked_list_list, masked_chain_length_list_list, chain_M_pos, omit_AA_mask, residue_idx, dihedral_mask, tied_pos_list_of_lists_list, pssm_coef_all, pssm_bias_all, pssm_log_odds_all, bias_by_res_all, tied_beta + + + +def loss_nll(S, log_probs, mask): + """ Negative log probabilities """ + criterion = torch.nn.NLLLoss(reduction='none') + loss = criterion( + log_probs.contiguous().view(-1, log_probs.size(-1)), S.contiguous().view(-1) + ).view(S.size()) + loss_av = torch.sum(loss * mask) / torch.sum(mask) + return loss, loss_av + + +def loss_smoothed(S, log_probs, mask, weight=0.1): + """ Negative log probabilities """ + S_onehot = torch.nn.functional.one_hot(S, 21).float() + + # Label smoothing + S_onehot = S_onehot + weight / float(S_onehot.size(-1)) + S_onehot = S_onehot / S_onehot.sum(-1, keepdim=True) + + loss = -(S_onehot * log_probs).sum(-1) + loss_av = torch.sum(loss * mask) / torch.sum(mask) + return loss, loss_av + +class StructureDataset(): + def __init__(self, jsonl_file, verbose=True, truncate=None, max_length=100, + alphabet='ACDEFGHIKLMNPQRSTVWYX-'): + alphabet_set = set([a for a in alphabet]) + discard_count = { + 'bad_chars': 0, + 'too_long': 0, + 'bad_seq_length': 0 + } + + with open(jsonl_file) as f: + self.data = [] + + lines = f.readlines() + start = time.time() + for i, line in enumerate(lines): + entry = json.loads(line) + seq = entry['seq'] + name = entry['name'] + + # Convert raw coords to np arrays + #for key, val in entry['coords'].items(): + # entry['coords'][key] = np.asarray(val) + + # Check if in alphabet + bad_chars = set([s for s in seq]).difference(alphabet_set) + if len(bad_chars) == 0: + if len(entry['seq']) <= max_length: + if True: + self.data.append(entry) + else: + discard_count['bad_seq_length'] += 1 + else: + discard_count['too_long'] += 1 + else: + print(name, bad_chars, entry['seq']) + discard_count['bad_chars'] += 1 + + # Truncate early + if truncate is not None and len(self.data) == truncate: + return + + if verbose and (i + 1) % 1000 == 0: + elapsed = time.time() - start + print('{} entries ({} loaded) in {:.1f} s'.format(len(self.data), i+1, elapsed)) + + print('discarded', discard_count) + def __len__(self): + return len(self.data) + + def __getitem__(self, idx): + return self.data[idx] + + +class StructureDatasetPDB(): + def __init__(self, pdb_dict_list, verbose=True, truncate=None, max_length=100, + alphabet='ACDEFGHIKLMNPQRSTVWYX-'): + alphabet_set = set([a for a in alphabet]) + discard_count = { + 'bad_chars': 0, + 'too_long': 0, + 'bad_seq_length': 0 + } + + self.data = [] + + start = time.time() + for i, entry in enumerate(pdb_dict_list): + seq = entry['seq'] + name = entry['name'] + + bad_chars = set([s for s in seq]).difference(alphabet_set) + if len(bad_chars) == 0: + if len(entry['seq']) <= max_length: + self.data.append(entry) + else: + discard_count['too_long'] += 1 + else: + discard_count['bad_chars'] += 1 + + # Truncate early + if truncate is not None and len(self.data) == truncate: + return + + if verbose and (i + 1) % 1000 == 0: + elapsed = time.time() - start + + #print('Discarded', discard_count) + def __len__(self): + return len(self.data) + + def __getitem__(self, idx): + return self.data[idx] + + + +class StructureLoader(): + def __init__(self, dataset, batch_size=100, shuffle=True, + collate_fn=lambda x:x, drop_last=False): + self.dataset = dataset + self.size = len(dataset) + self.lengths = [len(dataset[i]['seq']) for i in range(self.size)] + self.batch_size = batch_size + sorted_ix = np.argsort(self.lengths) + + # Cluster into batches of similar sizes + clusters, batch = [], [] + batch_max = 0 + for ix in sorted_ix: + size = self.lengths[ix] + if size * (len(batch) + 1) <= self.batch_size: + batch.append(ix) + batch_max = size + else: + clusters.append(batch) + batch, batch_max = [], 0 + if len(batch) > 0: + clusters.append(batch) + self.clusters = clusters + + def __len__(self): + return len(self.clusters) + + def __iter__(self): + np.random.shuffle(self.clusters) + for b_idx in self.clusters: + batch = [self.dataset[i] for i in b_idx] + yield batch + + + +# The following gather functions +def gather_edges(edges, neighbor_idx): + # Features [B,N,N,C] at Neighbor indices [B,N,K] => Neighbor features [B,N,K,C] + neighbors = neighbor_idx.unsqueeze(-1).expand(-1, -1, -1, edges.size(-1)) + edge_features = torch.gather(edges, 2, neighbors) + return edge_features + +def gather_nodes(nodes, neighbor_idx): + # Features [B,N,C] at Neighbor indices [B,N,K] => [B,N,K,C] + # Flatten and expand indices per batch [B,N,K] => [B,NK] => [B,NK,C] + neighbors_flat = neighbor_idx.view((neighbor_idx.shape[0], -1)) + neighbors_flat = neighbors_flat.unsqueeze(-1).expand(-1, -1, nodes.size(2)) + # Gather and re-pack + neighbor_features = torch.gather(nodes, 1, neighbors_flat) + neighbor_features = neighbor_features.view(list(neighbor_idx.shape)[:3] + [-1]) + return neighbor_features + +def gather_nodes_t(nodes, neighbor_idx): + # Features [B,N,C] at Neighbor index [B,K] => Neighbor features[B,K,C] + idx_flat = neighbor_idx.unsqueeze(-1).expand(-1, -1, nodes.size(2)) + neighbor_features = torch.gather(nodes, 1, idx_flat) + return neighbor_features + +def cat_neighbors_nodes(h_nodes, h_neighbors, E_idx): + h_nodes = gather_nodes(h_nodes, E_idx) + h_nn = torch.cat([h_neighbors, h_nodes], -1) + return h_nn + + +class EncLayer(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(EncLayer, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout1 = nn.Dropout(dropout) + self.dropout2 = nn.Dropout(dropout) + self.dropout3 = nn.Dropout(dropout) + self.norm1 = nn.LayerNorm(num_hidden) + self.norm2 = nn.LayerNorm(num_hidden) + self.norm3 = nn.LayerNorm(num_hidden) + + self.W1 = nn.Linear(num_hidden + num_in, num_hidden, bias=True) + self.W2 = nn.Linear(num_hidden, num_hidden, bias=True) + self.W3 = nn.Linear(num_hidden, num_hidden, bias=True) + self.W11 = nn.Linear(num_hidden + num_in, num_hidden, bias=True) + self.W12 = nn.Linear(num_hidden, num_hidden, bias=True) + self.W13 = nn.Linear(num_hidden, num_hidden, bias=True) + self.act = torch.nn.GELU() + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, E_idx, mask_V=None, mask_attend=None): + """ Parallel computation of full transformer layer """ + + h_EV = cat_neighbors_nodes(h_V, h_E, E_idx) + h_V_expand = h_V.unsqueeze(-2).expand(-1,-1,h_EV.size(-2),-1) + h_EV = torch.cat([h_V_expand, h_EV], -1) + h_message = self.W3(self.act(self.W2(self.act(self.W1(h_EV))))) + if mask_attend is not None: + h_message = mask_attend.unsqueeze(-1) * h_message + dh = torch.sum(h_message, -2) / self.scale + h_V = self.norm1(h_V + self.dropout1(dh)) + + dh = self.dense(h_V) + h_V = self.norm2(h_V + self.dropout2(dh)) + if mask_V is not None: + mask_V = mask_V.unsqueeze(-1) + h_V = mask_V * h_V + + h_EV = cat_neighbors_nodes(h_V, h_E, E_idx) + h_V_expand = h_V.unsqueeze(-2).expand(-1,-1,h_EV.size(-2),-1) + h_EV = torch.cat([h_V_expand, h_EV], -1) + h_message = self.W13(self.act(self.W12(self.act(self.W11(h_EV))))) + h_E = self.norm3(h_E + self.dropout3(h_message)) + return h_V, h_E + + +class DecLayer(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(DecLayer, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout1 = nn.Dropout(dropout) + self.dropout2 = nn.Dropout(dropout) + self.norm1 = nn.LayerNorm(num_hidden) + self.norm2 = nn.LayerNorm(num_hidden) + + self.W1 = nn.Linear(num_hidden + num_in, num_hidden, bias=True) + self.W2 = nn.Linear(num_hidden, num_hidden, bias=True) + self.W3 = nn.Linear(num_hidden, num_hidden, bias=True) + self.act = torch.nn.GELU() + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, mask_V=None, mask_attend=None): + """ Parallel computation of full transformer layer """ + + # Concatenate h_V_i to h_E_ij + h_V_expand = h_V.unsqueeze(-2).expand(-1,-1,h_E.size(-2),-1) + h_EV = torch.cat([h_V_expand, h_E], -1) + + h_message = self.W3(self.act(self.W2(self.act(self.W1(h_EV))))) + if mask_attend is not None: + h_message = mask_attend.unsqueeze(-1) * h_message + dh = torch.sum(h_message, -2) / self.scale + + h_V = self.norm1(h_V + self.dropout1(dh)) + + # Position-wise feedforward + dh = self.dense(h_V) + h_V = self.norm2(h_V + self.dropout2(dh)) + + if mask_V is not None: + mask_V = mask_V.unsqueeze(-1) + h_V = mask_V * h_V + return h_V + + + +class PositionWiseFeedForward(nn.Module): + def __init__(self, num_hidden, num_ff): + super(PositionWiseFeedForward, self).__init__() + self.W_in = nn.Linear(num_hidden, num_ff, bias=True) + self.W_out = nn.Linear(num_ff, num_hidden, bias=True) + self.act = torch.nn.GELU() + def forward(self, h_V): + h = self.act(self.W_in(h_V)) + h = self.W_out(h) + return h + +class PositionalEncodings(nn.Module): + def __init__(self, num_embeddings, max_relative_feature=32): + super(PositionalEncodings, self).__init__() + self.num_embeddings = num_embeddings + self.max_relative_feature = max_relative_feature + self.linear = nn.Linear(2*max_relative_feature+1+1, num_embeddings) + + def forward(self, offset, mask): + d = torch.clip(offset + self.max_relative_feature, 0, 2*self.max_relative_feature)*mask + (1-mask)*(2*self.max_relative_feature+1) + d_onehot = torch.nn.functional.one_hot(d, 2*self.max_relative_feature+1+1) + E = self.linear(d_onehot.float()) + return E + +class ProteinFeatures(nn.Module): + def __init__(self, edge_features, node_features, num_positional_embeddings=16, + num_rbf=16, top_k=30, augment_eps=0., num_chain_embeddings=16): + """ Extract protein features """ + super(ProteinFeatures, self).__init__() + self.edge_features = edge_features + self.node_features = node_features + self.top_k = top_k + self.augment_eps = augment_eps + self.num_rbf = num_rbf + self.num_positional_embeddings = num_positional_embeddings + + self.embeddings = PositionalEncodings(num_positional_embeddings) + node_in, edge_in = 6, num_positional_embeddings + num_rbf*25 + self.edge_embedding = nn.Linear(edge_in, edge_features, bias=False) + self.norm_edges = nn.LayerNorm(edge_features) + + def _dist(self, X, mask, eps=1E-6): + mask_2D = torch.unsqueeze(mask,1) * torch.unsqueeze(mask,2) + dX = torch.unsqueeze(X,1) - torch.unsqueeze(X,2) + D = mask_2D * torch.sqrt(torch.sum(dX**2, 3) + eps) + D_max, _ = torch.max(D, -1, keepdim=True) + D_adjust = D + (1. - mask_2D) * D_max + sampled_top_k = self.top_k + D_neighbors, E_idx = torch.topk(D_adjust, np.minimum(self.top_k, X.shape[1]), dim=-1, largest=False) + return D_neighbors, E_idx + + def _rbf(self, D): + device = D.device + D_min, D_max, D_count = 2., 22., self.num_rbf + D_mu = torch.linspace(D_min, D_max, D_count, device=device) + D_mu = D_mu.view([1,1,1,-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_rbf(self, A, B, E_idx): + D_A_B = torch.sqrt(torch.sum((A[:,:,None,:] - B[:,None,:,:])**2,-1) + 1e-6) #[B, L, L] + D_A_B_neighbors = gather_edges(D_A_B[:,:,:,None], E_idx)[:,:,:,0] #[B,L,K] + RBF_A_B = self._rbf(D_A_B_neighbors) + return RBF_A_B + + def forward(self, X, mask, residue_idx, chain_labels): + if self.augment_eps > 0: + X = X + self.augment_eps * torch.randn_like(X) + + b = X[:,:,1,:] - X[:,:,0,:] + c = X[:,:,2,:] - X[:,:,1,:] + a = torch.cross(b, c, dim=-1) + Cb = -0.58273431*a + 0.56802827*b - 0.54067466*c + X[:,:,1,:] + Ca = X[:,:,1,:] + N = X[:,:,0,:] + C = X[:,:,2,:] + O = X[:,:,3,:] + + D_neighbors, E_idx = self._dist(Ca, mask) + + RBF_all = [] + RBF_all.append(self._rbf(D_neighbors)) #Ca-Ca + RBF_all.append(self._get_rbf(N, N, E_idx)) #N-N + RBF_all.append(self._get_rbf(C, C, E_idx)) #C-C + RBF_all.append(self._get_rbf(O, O, E_idx)) #O-O + RBF_all.append(self._get_rbf(Cb, Cb, E_idx)) #Cb-Cb + RBF_all.append(self._get_rbf(Ca, N, E_idx)) #Ca-N + RBF_all.append(self._get_rbf(Ca, C, E_idx)) #Ca-C + RBF_all.append(self._get_rbf(Ca, O, E_idx)) #Ca-O + RBF_all.append(self._get_rbf(Ca, Cb, E_idx)) #Ca-Cb + RBF_all.append(self._get_rbf(N, C, E_idx)) #N-C + RBF_all.append(self._get_rbf(N, O, E_idx)) #N-O + RBF_all.append(self._get_rbf(N, Cb, E_idx)) #N-Cb + RBF_all.append(self._get_rbf(Cb, C, E_idx)) #Cb-C + RBF_all.append(self._get_rbf(Cb, O, E_idx)) #Cb-O + RBF_all.append(self._get_rbf(O, C, E_idx)) #O-C + RBF_all.append(self._get_rbf(N, Ca, E_idx)) #N-Ca + RBF_all.append(self._get_rbf(C, Ca, E_idx)) #C-Ca + RBF_all.append(self._get_rbf(O, Ca, E_idx)) #O-Ca + RBF_all.append(self._get_rbf(Cb, Ca, E_idx)) #Cb-Ca + RBF_all.append(self._get_rbf(C, N, E_idx)) #C-N + RBF_all.append(self._get_rbf(O, N, E_idx)) #O-N + RBF_all.append(self._get_rbf(Cb, N, E_idx)) #Cb-N + RBF_all.append(self._get_rbf(C, Cb, E_idx)) #C-Cb + RBF_all.append(self._get_rbf(O, Cb, E_idx)) #O-Cb + RBF_all.append(self._get_rbf(C, O, E_idx)) #C-O + RBF_all = torch.cat(tuple(RBF_all), dim=-1) + + offset = residue_idx[:,:,None]-residue_idx[:,None,:] + offset = gather_edges(offset[:,:,:,None], E_idx)[:,:,:,0] #[B, L, K] + + d_chains = ((chain_labels[:, :, None] - chain_labels[:,None,:])==0).long() #find self vs non-self interaction + E_chains = gather_edges(d_chains[:,:,:,None], E_idx)[:,:,:,0] + E_positional = self.embeddings(offset.long(), E_chains) + E = torch.cat((E_positional, RBF_all), -1) + E = self.edge_embedding(E) + E = self.norm_edges(E) + return E, E_idx + + + +class ProteinMPNN(nn.Module): + def __init__(self, num_letters, node_features, edge_features, + hidden_dim, num_encoder_layers=3, num_decoder_layers=3, + vocab=21, k_neighbors=64, augment_eps=0.05, dropout=0.1): + super(ProteinMPNN, self).__init__() + + # Hyperparameters + self.node_features = node_features + self.edge_features = edge_features + self.hidden_dim = hidden_dim + + # Featurization layers + self.features = ProteinFeatures(node_features, edge_features, top_k=k_neighbors, augment_eps=augment_eps) + + self.W_e = nn.Linear(edge_features, hidden_dim, bias=True) + self.W_s = nn.Embedding(vocab, hidden_dim) + + # Encoder layers + self.encoder_layers = nn.ModuleList([ + EncLayer(hidden_dim, hidden_dim*2, dropout=dropout) + for _ in range(num_encoder_layers) + ]) + + # Decoder layers + self.decoder_layers = nn.ModuleList([ + DecLayer(hidden_dim, hidden_dim*3, dropout=dropout) + for _ in range(num_decoder_layers) + ]) + self.W_out = nn.Linear(hidden_dim, num_letters, bias=True) + + for p in self.parameters(): + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + def forward(self, X, S, mask, chain_M, residue_idx, chain_encoding_all, randn, use_input_decoding_order=False, decoding_order=None): + """ Graph-conditioned sequence model """ + device=X.device + # Prepare node and edge embeddings + E, E_idx = self.features(X, mask, residue_idx, chain_encoding_all) + h_V = torch.zeros((E.shape[0], E.shape[1], E.shape[-1]), device=E.device) + h_E = self.W_e(E) + + # Encoder is unmasked self-attention + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) + mask_attend = mask.unsqueeze(-1) * mask_attend + for layer in self.encoder_layers: + h_V, h_E = layer(h_V, h_E, E_idx, mask, mask_attend) + + # Concatenate sequence embeddings for autoregressive decoder + h_S = self.W_s(S) + h_ES = cat_neighbors_nodes(h_S, h_E, E_idx) + + # Build encoder embeddings + h_EX_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_E, E_idx) + h_EXV_encoder = cat_neighbors_nodes(h_V, h_EX_encoder, E_idx) + + + chain_M = chain_M*mask #update chain_M to include missing regions + if not use_input_decoding_order: + decoding_order = torch.argsort((chain_M+0.0001)*(torch.abs(randn))) #[numbers will be smaller for places where chain_M = 0.0 and higher for places where chain_M = 1.0] + mask_size = E_idx.shape[1] + permutation_matrix_reverse = torch.nn.functional.one_hot(decoding_order, num_classes=mask_size).float() + order_mask_backward = torch.einsum('ij, biq, bjp->bqp',(1-torch.triu(torch.ones(mask_size,mask_size, device=device))), permutation_matrix_reverse, permutation_matrix_reverse) + mask_attend = torch.gather(order_mask_backward, 2, E_idx).unsqueeze(-1) + mask_1D = mask.view([mask.size(0), mask.size(1), 1, 1]) + mask_bw = mask_1D * mask_attend + mask_fw = mask_1D * (1. - mask_attend) + + h_EXV_encoder_fw = mask_fw * h_EXV_encoder + for layer in self.decoder_layers: + # Masked positions attend to encoder information, unmasked see. + h_ESV = cat_neighbors_nodes(h_V, h_ES, E_idx) + h_ESV = mask_bw * h_ESV + h_EXV_encoder_fw + h_V = layer(h_V, h_ESV, mask) + + logits = self.W_out(h_V) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs + + + + def sample(self, X, randn, S_true, chain_mask, chain_encoding_all, residue_idx, mask=None, temperature=1.0, omit_AAs_np=None, bias_AAs_np=None, chain_M_pos=None, omit_AA_mask=None, pssm_coef=None, pssm_bias=None, pssm_multi=None, pssm_log_odds_flag=None, pssm_log_odds_mask=None, pssm_bias_flag=None, bias_by_res=None): + device = X.device + # Prepare node and edge embeddings + E, E_idx = self.features(X, mask, residue_idx, chain_encoding_all) + h_V = torch.zeros((E.shape[0], E.shape[1], E.shape[-1]), device=device) + h_E = self.W_e(E) + + # Encoder is unmasked self-attention + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) + mask_attend = mask.unsqueeze(-1) * mask_attend + for layer in self.encoder_layers: + h_V, h_E = layer(h_V, h_E, E_idx, mask, mask_attend) + + # Decoder uses masked self-attention + chain_mask = chain_mask*chain_M_pos*mask #update chain_M to include missing regions + decoding_order = torch.argsort((chain_mask+0.0001)*(torch.abs(randn))) #[numbers will be smaller for places where chain_M = 0.0 and higher for places where chain_M = 1.0] + mask_size = E_idx.shape[1] + permutation_matrix_reverse = torch.nn.functional.one_hot(decoding_order, num_classes=mask_size).float() + order_mask_backward = torch.einsum('ij, biq, bjp->bqp',(1-torch.triu(torch.ones(mask_size,mask_size, device=device))), permutation_matrix_reverse, permutation_matrix_reverse) + mask_attend = torch.gather(order_mask_backward, 2, E_idx).unsqueeze(-1) + mask_1D = mask.view([mask.size(0), mask.size(1), 1, 1]) + mask_bw = mask_1D * mask_attend + mask_fw = mask_1D * (1. - mask_attend) + + N_batch, N_nodes = X.size(0), X.size(1) + log_probs = torch.zeros((N_batch, N_nodes, 21), device=device) + all_probs = torch.zeros((N_batch, N_nodes, 21), device=device, dtype=torch.float32) + h_S = torch.zeros_like(h_V, device=device) + S = torch.zeros((N_batch, N_nodes), dtype=torch.int64, device=device) + h_V_stack = [h_V] + [torch.zeros_like(h_V, device=device) for _ in range(len(self.decoder_layers))] + constant = torch.tensor(omit_AAs_np, device=device) + constant_bias = torch.tensor(bias_AAs_np, device=device) + #chain_mask_combined = chain_mask*chain_M_pos + omit_AA_mask_flag = omit_AA_mask != None + + + h_EX_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_E, E_idx) + h_EXV_encoder = cat_neighbors_nodes(h_V, h_EX_encoder, E_idx) + h_EXV_encoder_fw = mask_fw * h_EXV_encoder + for t_ in range(N_nodes): + t = decoding_order[:,t_] #[B] + chain_mask_gathered = torch.gather(chain_mask, 1, t[:,None]) #[B] + bias_by_res_gathered = torch.gather(bias_by_res, 1, t[:,None,None].repeat(1,1,21))[:,0,:] #[B, 21] + if (chain_mask_gathered==0).all(): + S_t = torch.gather(S_true, 1, t[:,None]) + else: + # Hidden layers + E_idx_t = torch.gather(E_idx, 1, t[:,None,None].repeat(1,1,E_idx.shape[-1])) + h_E_t = torch.gather(h_E, 1, t[:,None,None,None].repeat(1,1,h_E.shape[-2], h_E.shape[-1])) + h_ES_t = cat_neighbors_nodes(h_S, h_E_t, E_idx_t) + h_EXV_encoder_t = torch.gather(h_EXV_encoder_fw, 1, t[:,None,None,None].repeat(1,1,h_EXV_encoder_fw.shape[-2], h_EXV_encoder_fw.shape[-1])) + mask_t = torch.gather(mask, 1, t[:,None]) + for l, layer in enumerate(self.decoder_layers): + # Updated relational features for future states + h_ESV_decoder_t = cat_neighbors_nodes(h_V_stack[l], h_ES_t, E_idx_t) + h_V_t = torch.gather(h_V_stack[l], 1, t[:,None,None].repeat(1,1,h_V_stack[l].shape[-1])) + h_ESV_t = torch.gather(mask_bw, 1, t[:,None,None,None].repeat(1,1,mask_bw.shape[-2], mask_bw.shape[-1])) * h_ESV_decoder_t + h_EXV_encoder_t + h_V_stack[l+1].scatter_(1, t[:,None,None].repeat(1,1,h_V.shape[-1]), layer(h_V_t, h_ESV_t, mask_V=mask_t)) + # Sampling step + h_V_t = torch.gather(h_V_stack[-1], 1, t[:,None,None].repeat(1,1,h_V_stack[-1].shape[-1]))[:,0] + logits = self.W_out(h_V_t) / temperature + probs = F.softmax(logits-constant[None,:]*1e8+constant_bias[None,:]/temperature+bias_by_res_gathered/temperature, dim=-1) + if pssm_bias_flag: + pssm_coef_gathered = torch.gather(pssm_coef, 1, t[:,None])[:,0] + pssm_bias_gathered = torch.gather(pssm_bias, 1, t[:,None,None].repeat(1,1,pssm_bias.shape[-1]))[:,0] + probs = (1-pssm_multi*pssm_coef_gathered[:,None])*probs + pssm_multi*pssm_coef_gathered[:,None]*pssm_bias_gathered + if pssm_log_odds_flag: + pssm_log_odds_mask_gathered = torch.gather(pssm_log_odds_mask, 1, t[:,None, None].repeat(1,1,pssm_log_odds_mask.shape[-1]))[:,0] #[B, 21] + probs_masked = probs*pssm_log_odds_mask_gathered + probs_masked += probs * 0.001 + probs = probs_masked/torch.sum(probs_masked, dim=-1, keepdim=True) #[B, 21] + if omit_AA_mask_flag: + omit_AA_mask_gathered = torch.gather(omit_AA_mask, 1, t[:,None, None].repeat(1,1,omit_AA_mask.shape[-1]))[:,0] #[B, 21] + probs_masked = probs*(1.0-omit_AA_mask_gathered) + probs = probs_masked/torch.sum(probs_masked, dim=-1, keepdim=True) #[B, 21] + S_t = torch.multinomial(probs, 1) + all_probs.scatter_(1, t[:,None,None].repeat(1,1,21), (chain_mask_gathered[:,:,None,]*probs[:,None,:]).float()) + S_true_gathered = torch.gather(S_true, 1, t[:,None]) + S_t = (S_t*chain_mask_gathered+S_true_gathered*(1.0-chain_mask_gathered)).long() + temp1 = self.W_s(S_t) + h_S.scatter_(1, t[:,None,None].repeat(1,1,temp1.shape[-1]), temp1) + S.scatter_(1, t[:,None], S_t) + output_dict = {"S": S, "probs": all_probs, "decoding_order": decoding_order} + return output_dict + + + def tied_sample(self, X, randn, S_true, chain_mask, chain_encoding_all, residue_idx, mask=None, temperature=1.0, omit_AAs_np=None, bias_AAs_np=None, chain_M_pos=None, omit_AA_mask=None, pssm_coef=None, pssm_bias=None, pssm_multi=None, pssm_log_odds_flag=None, pssm_log_odds_mask=None, pssm_bias_flag=None, tied_pos=None, tied_beta=None, bias_by_res=None): + device = X.device + # Prepare node and edge embeddings + E, E_idx = self.features(X, mask, residue_idx, chain_encoding_all) + h_V = torch.zeros((E.shape[0], E.shape[1], E.shape[-1]), device=device) + h_E = self.W_e(E) + # Encoder is unmasked self-attention + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) + mask_attend = mask.unsqueeze(-1) * mask_attend + for layer in self.encoder_layers: + h_V, h_E = layer(h_V, h_E, E_idx, mask, mask_attend) + + # Decoder uses masked self-attention + chain_mask = chain_mask*chain_M_pos*mask #update chain_M to include missing regions + decoding_order = torch.argsort((chain_mask+0.0001)*(torch.abs(randn))) #[numbers will be smaller for places where chain_M = 0.0 and higher for places where chain_M = 1.0] + + new_decoding_order = [] + for t_dec in list(decoding_order[0,].cpu().data.numpy()): + if t_dec not in list(itertools.chain(*new_decoding_order)): + list_a = [item for item in tied_pos if t_dec in item] + if list_a: + new_decoding_order.append(list_a[0]) + else: + new_decoding_order.append([t_dec]) + decoding_order = torch.tensor(list(itertools.chain(*new_decoding_order)), device=device)[None,].repeat(X.shape[0],1) + + mask_size = E_idx.shape[1] + permutation_matrix_reverse = torch.nn.functional.one_hot(decoding_order, num_classes=mask_size).float() + order_mask_backward = torch.einsum('ij, biq, bjp->bqp',(1-torch.triu(torch.ones(mask_size,mask_size, device=device))), permutation_matrix_reverse, permutation_matrix_reverse) + mask_attend = torch.gather(order_mask_backward, 2, E_idx).unsqueeze(-1) + mask_1D = mask.view([mask.size(0), mask.size(1), 1, 1]) + mask_bw = mask_1D * mask_attend + mask_fw = mask_1D * (1. - mask_attend) + + N_batch, N_nodes = X.size(0), X.size(1) + log_probs = torch.zeros((N_batch, N_nodes, 21), device=device) + all_probs = torch.zeros((N_batch, N_nodes, 21), device=device, dtype=torch.float32) + h_S = torch.zeros_like(h_V, device=device) + S = torch.zeros((N_batch, N_nodes), dtype=torch.int64, device=device) + h_V_stack = [h_V] + [torch.zeros_like(h_V, device=device) for _ in range(len(self.decoder_layers))] + constant = torch.tensor(omit_AAs_np, device=device) + constant_bias = torch.tensor(bias_AAs_np, device=device) + omit_AA_mask_flag = omit_AA_mask != None + + h_EX_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_E, E_idx) + h_EXV_encoder = cat_neighbors_nodes(h_V, h_EX_encoder, E_idx) + h_EXV_encoder_fw = mask_fw * h_EXV_encoder + for t_list in new_decoding_order: + logits = 0.0 + logit_list = [] + done_flag = False + for t in t_list: + if (chain_mask[:,t]==0).all(): + S_t = S_true[:,t] + for t in t_list: + h_S[:,t,:] = self.W_s(S_t) + S[:,t] = S_t + done_flag = True + break + else: + E_idx_t = E_idx[:,t:t+1,:] + h_E_t = h_E[:,t:t+1,:,:] + h_ES_t = cat_neighbors_nodes(h_S, h_E_t, E_idx_t) + h_EXV_encoder_t = h_EXV_encoder_fw[:,t:t+1,:,:] + mask_t = mask[:,t:t+1] + for l, layer in enumerate(self.decoder_layers): + h_ESV_decoder_t = cat_neighbors_nodes(h_V_stack[l], h_ES_t, E_idx_t) + h_V_t = h_V_stack[l][:,t:t+1,:] + h_ESV_t = mask_bw[:,t:t+1,:,:] * h_ESV_decoder_t + h_EXV_encoder_t + h_V_stack[l+1][:,t,:] = layer(h_V_t, h_ESV_t, mask_V=mask_t).squeeze(1) + h_V_t = h_V_stack[-1][:,t,:] + logit_list.append((self.W_out(h_V_t) / temperature)/len(t_list)) + logits += tied_beta[t]*(self.W_out(h_V_t) / temperature)/len(t_list) + if done_flag: + pass + else: + bias_by_res_gathered = bias_by_res[:,t,:] #[B, 21] + probs = F.softmax(logits-constant[None,:]*1e8+constant_bias[None,:]/temperature+bias_by_res_gathered/temperature, dim=-1) + if pssm_bias_flag: + pssm_coef_gathered = pssm_coef[:,t] + pssm_bias_gathered = pssm_bias[:,t] + probs = (1-pssm_multi*pssm_coef_gathered[:,None])*probs + pssm_multi*pssm_coef_gathered[:,None]*pssm_bias_gathered + if pssm_log_odds_flag: + pssm_log_odds_mask_gathered = pssm_log_odds_mask[:,t] + probs_masked = probs*pssm_log_odds_mask_gathered + probs_masked += probs * 0.001 + probs = probs_masked/torch.sum(probs_masked, dim=-1, keepdim=True) #[B, 21] + if omit_AA_mask_flag: + omit_AA_mask_gathered = omit_AA_mask[:,t] + probs_masked = probs*(1.0-omit_AA_mask_gathered) + probs = probs_masked/torch.sum(probs_masked, dim=-1, keepdim=True) #[B, 21] + S_t_repeat = torch.multinomial(probs, 1).squeeze(-1) + for t in t_list: + h_S[:,t,:] = self.W_s(S_t_repeat) + S[:,t] = S_t_repeat + all_probs[:,t,:] = probs.float() + output_dict = {"S": S, "probs": all_probs, "decoding_order": decoding_order} + return output_dict + + + def conditional_probs(self, X, S, mask, chain_M, residue_idx, chain_encoding_all, randn, backbone_only=False): + """ Graph-conditioned sequence model """ + device=X.device + # Prepare node and edge embeddings + E, E_idx = self.features(X, mask, residue_idx, chain_encoding_all) + h_V_enc = torch.zeros((E.shape[0], E.shape[1], E.shape[-1]), device=E.device) + h_E = self.W_e(E) + + # Encoder is unmasked self-attention + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) + mask_attend = mask.unsqueeze(-1) * mask_attend + for layer in self.encoder_layers: + h_V_enc, h_E = layer(h_V_enc, h_E, E_idx, mask, mask_attend) + + # Concatenate sequence embeddings for autoregressive decoder + h_S = self.W_s(S) + h_ES = cat_neighbors_nodes(h_S, h_E, E_idx) + + # Build encoder embeddings + h_EX_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_E, E_idx) + h_EXV_encoder = cat_neighbors_nodes(h_V_enc, h_EX_encoder, E_idx) + + + chain_M = chain_M*mask #update chain_M to include missing regions + + chain_M_np = chain_M.cpu().numpy() + idx_to_loop = np.argwhere(chain_M_np[0,:]==1)[:,0] + log_conditional_probs = torch.zeros([X.shape[0], chain_M.shape[1], 21], device=device).float() + + for idx in idx_to_loop: + h_V = torch.clone(h_V_enc) + order_mask = torch.zeros(chain_M.shape[1], device=device).float() + if backbone_only: + order_mask = torch.ones(chain_M.shape[1], device=device).float() + order_mask[idx] = 0. + else: + order_mask = torch.zeros(chain_M.shape[1], device=device).float() + order_mask[idx] = 1. + decoding_order = torch.argsort((order_mask[None,]+0.0001)*(torch.abs(randn))) #[numbers will be smaller for places where chain_M = 0.0 and higher for places where chain_M = 1.0] + mask_size = E_idx.shape[1] + permutation_matrix_reverse = torch.nn.functional.one_hot(decoding_order, num_classes=mask_size).float() + order_mask_backward = torch.einsum('ij, biq, bjp->bqp',(1-torch.triu(torch.ones(mask_size,mask_size, device=device))), permutation_matrix_reverse, permutation_matrix_reverse) + mask_attend = torch.gather(order_mask_backward, 2, E_idx).unsqueeze(-1) + mask_1D = mask.view([mask.size(0), mask.size(1), 1, 1]) + mask_bw = mask_1D * mask_attend + mask_fw = mask_1D * (1. - mask_attend) + + h_EXV_encoder_fw = mask_fw * h_EXV_encoder + for layer in self.decoder_layers: + # Masked positions attend to encoder information, unmasked see. + h_ESV = cat_neighbors_nodes(h_V, h_ES, E_idx) + h_ESV = mask_bw * h_ESV + h_EXV_encoder_fw + h_V = layer(h_V, h_ESV, mask) + + logits = self.W_out(h_V) + log_probs = F.log_softmax(logits, dim=-1) + log_conditional_probs[:,idx,:] = log_probs[:,idx,:] + return log_conditional_probs + + + diff --git a/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_002.pt b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_002.pt new file mode 100644 index 0000000000000000000000000000000000000000..aaf73d9bbacd4c9c1c3c58afcbd1c5340b169443 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_002.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:925f2ca1007bf9b02e0e7f420ff00eb91f50fcc2722f64b42e644ae95adaa131 +size 6681301 diff --git a/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_010.pt b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_010.pt new file mode 100644 index 0000000000000000000000000000000000000000..ece7a865b78c19b62fd3c2df549a28cc2ab982b0 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_010.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db866fae956a28661f926053d630610c55e9fc4bc03922f2aeeb98a37435ccce +size 6681301 diff --git a/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_020.pt b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_020.pt new file mode 100644 index 0000000000000000000000000000000000000000..9f217ffe4c9707fdd589112acd813a57b102c6b7 --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_020.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9cb4a671d79604111231f8dbfc7c590e06f1197453b7a6854ac6661a642f5bd +size 6681301 diff --git a/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_030.pt b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_030.pt new file mode 100644 index 0000000000000000000000000000000000000000..7142bd5b5d1e66b1103877fbaca0edd0a111c6ff --- /dev/null +++ b/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights/v_48_030.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c34b7bfb38418ea30989fda3314f4781ac4e3920f9825731cf555f1fed44ac66 +size 6681301 diff --git a/app.py b/app.py index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..55921c64be3476a33db088a73fedec94b9e7483a 100644 --- a/app.py +++ b/app.py @@ -0,0 +1,242 @@ + +import json, time, os, sys, glob + +import gradio as gr + +sys.path.append('/home/user/app/ProteinMPNN/vanilla_proteinmpnn') + +import matplotlib.pyplot as plt +import shutil +import warnings +import numpy as np +import torch +from torch import optim +from torch.utils.data import DataLoader +from torch.utils.data.dataset import random_split, Subset +import copy +import torch.nn as nn +import torch.nn.functional as F +import random +import os.path +from protein_mpnn_utils import loss_nll, loss_smoothed, gather_edges, gather_nodes, gather_nodes_t, cat_neighbors_nodes, _scores, _S_to_seq, tied_featurize, parse_PDB +from protein_mpnn_utils import StructureDataset, StructureDatasetPDB, ProteinMPNN +import plotly.express as px +import urllib + +device = torch.device("cuda:0" if (torch.cuda.is_available()) else "cpu") +model_name="v_48_020" # ProteinMPNN model name: v_48_002, v_48_010, v_48_020, v_48_030, v_32_002, v_32_010; v_32_020, v_32_030; v_48_010=version with 48 edges 0.10A noise +backbone_noise=0.00 # Standard deviation of Gaussian noise to add to backbone atoms + +path_to_model_weights='/home/user/app/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights' +hidden_dim = 128 +num_layers = 3 +model_folder_path = path_to_model_weights +if model_folder_path[-1] != '/': + model_folder_path = model_folder_path + '/' +checkpoint_path = model_folder_path + f'{model_name}.pt' + +checkpoint = torch.load(checkpoint_path, map_location=device) + +noise_level_print = checkpoint['noise_level'] + +model = ProteinMPNN(num_letters=21, node_features=hidden_dim, edge_features=hidden_dim, hidden_dim=hidden_dim, num_encoder_layers=num_layers, num_decoder_layers=num_layers, augment_eps=backbone_noise, k_neighbors=checkpoint['num_edges']) +model.to(device) +model.load_state_dict(checkpoint['model_state_dict']) +model.eval() + + +import re + +import numpy as np + +def get_pdb(pdb_code="", filepath=""): + if pdb_code is None or pdb_code == "": + return filepath.name + else: + os.system(f"wget -qnc https://files.rcsb.org/view/{pdb_code}.pdb") + return f"{pdb_code}.pdb" + +def update(inp, file,designed_chain, fixed_chain, num_seqs, sampling_temp): + pdb_path =get_pdb(pdb_code=inp, filepath=file) + if designed_chain == "": + designed_chain_list = [] + else: + designed_chain_list = re.sub("[^A-Za-z]+",",", designed_chain).split(",") + + if fixed_chain == "": + fixed_chain_list = [] + else: + fixed_chain_list = re.sub("[^A-Za-z]+",",", fixed_chain).split(",") + + chain_list = list(set(designed_chain_list + fixed_chain_list)) + num_seq_per_target = num_seqs + save_score=0 # 0 for False, 1 for True; save score=-log_prob to npy files + save_probs=0 # 0 for False, 1 for True; save MPNN predicted probabilites per position + score_only=0 # 0 for False, 1 for True; score input backbone-sequence pairs + conditional_probs_only=0 # 0 for False, 1 for True; output conditional probabilities p(s_i given the rest of the sequence and backbone) + conditional_probs_only_backbone=0 # 0 for False, 1 for True; if true output conditional probabilities p(s_i given backbone) + + batch_size=1 # Batch size; can set higher for titan, quadro GPUs, reduce this if running out of GPU memory + max_length=20000 # Max sequence length + + out_folder='.' # Path to a folder to output sequences, e.g. /home/out/ + jsonl_path='' # Path to a folder with parsed pdb into jsonl + omit_AAs='X' # Specify which amino acids should be omitted in the generated sequence, e.g. 'AC' would omit alanine and cystine. + + pssm_multi=0.0 # A value between [0.0, 1.0], 0.0 means do not use pssm, 1.0 ignore MPNN predictions + pssm_threshold=0.0 # A value between -inf + inf to restric per position AAs + pssm_log_odds_flag=0 # 0 for False, 1 for True + pssm_bias_flag=0 # 0 for False, 1 for True + + folder_for_outputs = out_folder + + NUM_BATCHES = num_seq_per_target//batch_size + BATCH_COPIES = batch_size + temperatures = [sampling_temp] + omit_AAs_list = omit_AAs + alphabet = 'ACDEFGHIKLMNPQRSTVWYX' + + omit_AAs_np = np.array([AA in omit_AAs_list for AA in alphabet]).astype(np.float32) + + chain_id_dict = None + fixed_positions_dict = None + pssm_dict = None + omit_AA_dict = None + bias_AA_dict = None + tied_positions_dict = None + bias_by_res_dict = None + bias_AAs_np = np.zeros(len(alphabet)) + + + ############################################################### + pdb_dict_list = parse_PDB(pdb_path, input_chain_list=chain_list) + dataset_valid = StructureDatasetPDB(pdb_dict_list, truncate=None, max_length=max_length) + + chain_id_dict = {} + chain_id_dict[pdb_dict_list[0]['name']]= (designed_chain_list, fixed_chain_list) + with torch.no_grad(): + for ix, protein in enumerate(dataset_valid): + score_list = [] + all_probs_list = [] + all_log_probs_list = [] + S_sample_list = [] + batch_clones = [copy.deepcopy(protein) for i in range(BATCH_COPIES)] + X, S, mask, lengths, chain_M, chain_encoding_all, chain_list_list, visible_list_list, masked_list_list, masked_chain_length_list_list, chain_M_pos, omit_AA_mask, residue_idx, dihedral_mask, tied_pos_list_of_lists_list, pssm_coef, pssm_bias, pssm_log_odds_all, bias_by_res_all, tied_beta = tied_featurize(batch_clones, device, chain_id_dict, fixed_positions_dict, omit_AA_dict, tied_positions_dict, pssm_dict, bias_by_res_dict) + pssm_log_odds_mask = (pssm_log_odds_all > pssm_threshold).float() #1.0 for true, 0.0 for false + name_ = batch_clones[0]['name'] + + randn_1 = torch.randn(chain_M.shape, device=X.device) + log_probs = model(X, S, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_1) + mask_for_loss = mask*chain_M*chain_M_pos + scores = _scores(S, log_probs, mask_for_loss) + native_score = scores.cpu().data.numpy() + message="" + for temp in temperatures: + for j in range(NUM_BATCHES): + randn_2 = torch.randn(chain_M.shape, device=X.device) + if tied_positions_dict == None: + sample_dict = model.sample(X, randn_2, S, chain_M, chain_encoding_all, residue_idx, mask=mask, temperature=temp, omit_AAs_np=omit_AAs_np, bias_AAs_np=bias_AAs_np, chain_M_pos=chain_M_pos, omit_AA_mask=omit_AA_mask, pssm_coef=pssm_coef, pssm_bias=pssm_bias, pssm_multi=pssm_multi, pssm_log_odds_flag=bool(pssm_log_odds_flag), pssm_log_odds_mask=pssm_log_odds_mask, pssm_bias_flag=bool(pssm_bias_flag), bias_by_res=bias_by_res_all) + S_sample = sample_dict["S"] + else: + sample_dict = model.tied_sample(X, randn_2, S, chain_M, chain_encoding_all, residue_idx, mask=mask, temperature=temp, omit_AAs_np=omit_AAs_np, bias_AAs_np=bias_AAs_np, chain_M_pos=chain_M_pos, omit_AA_mask=omit_AA_mask, pssm_coef=pssm_coef, pssm_bias=pssm_bias, pssm_multi=pssm_multi, pssm_log_odds_flag=bool(pssm_log_odds_flag), pssm_log_odds_mask=pssm_log_odds_mask, pssm_bias_flag=bool(pssm_bias_flag), tied_pos=tied_pos_list_of_lists_list[0], tied_beta=tied_beta, bias_by_res=bias_by_res_all) + # Compute scores + S_sample = sample_dict["S"] + log_probs = model(X, S_sample, mask, chain_M*chain_M_pos, residue_idx, chain_encoding_all, randn_2, use_input_decoding_order=True, decoding_order=sample_dict["decoding_order"]) + mask_for_loss = mask*chain_M*chain_M_pos + scores = _scores(S_sample, log_probs, mask_for_loss) + scores = scores.cpu().data.numpy() + all_probs_list.append(sample_dict["probs"].cpu().data.numpy()) + all_log_probs_list.append(log_probs.cpu().data.numpy()) + S_sample_list.append(S_sample.cpu().data.numpy()) + for b_ix in range(BATCH_COPIES): + masked_chain_length_list = masked_chain_length_list_list[b_ix] + masked_list = masked_list_list[b_ix] + seq_recovery_rate = torch.sum(torch.sum(torch.nn.functional.one_hot(S[b_ix], 21)*torch.nn.functional.one_hot(S_sample[b_ix], 21),axis=-1)*mask_for_loss[b_ix])/torch.sum(mask_for_loss[b_ix]) + seq = _S_to_seq(S_sample[b_ix], chain_M[b_ix]) + score = scores[b_ix] + score_list.append(score) + native_seq = _S_to_seq(S[b_ix], chain_M[b_ix]) + if b_ix == 0 and j==0 and temp==temperatures[0]: + start = 0 + end = 0 + list_of_AAs = [] + for mask_l in masked_chain_length_list: + end += mask_l + list_of_AAs.append(native_seq[start:end]) + start = end + native_seq = "".join(list(np.array(list_of_AAs)[np.argsort(masked_list)])) + l0 = 0 + for mc_length in list(np.array(masked_chain_length_list)[np.argsort(masked_list)])[:-1]: + l0 += mc_length + native_seq = native_seq[:l0] + '/' + native_seq[l0:] + l0 += 1 + sorted_masked_chain_letters = np.argsort(masked_list_list[0]) + print_masked_chains = [masked_list_list[0][i] for i in sorted_masked_chain_letters] + sorted_visible_chain_letters = np.argsort(visible_list_list[0]) + print_visible_chains = [visible_list_list[0][i] for i in sorted_visible_chain_letters] + native_score_print = np.format_float_positional(np.float32(native_score.mean()), unique=False, precision=4) + line = '>{}, score={}, fixed_chains={}, designed_chains={}, model_name={}\n{}\n'.format(name_, native_score_print, print_visible_chains, print_masked_chains, model_name, native_seq) + message+=f"{line}\n" + start = 0 + end = 0 + list_of_AAs = [] + for mask_l in masked_chain_length_list: + end += mask_l + list_of_AAs.append(seq[start:end]) + start = end + + seq = "".join(list(np.array(list_of_AAs)[np.argsort(masked_list)])) + l0 = 0 + for mc_length in list(np.array(masked_chain_length_list)[np.argsort(masked_list)])[:-1]: + l0 += mc_length + seq = seq[:l0] + '/' + seq[l0:] + l0 += 1 + score_print = np.format_float_positional(np.float32(score), unique=False, precision=4) + seq_rec_print = np.format_float_positional(np.float32(seq_recovery_rate.detach().cpu().numpy()), unique=False, precision=4) + line = '>T={}, sample={}, score={}, seq_recovery={}\n{}\n'.format(temp,b_ix,score_print,seq_rec_print,seq) + message+=f"{line}\n" + + all_probs_concat = np.concatenate(all_probs_list) + all_log_probs_concat = np.concatenate(all_log_probs_list) + S_sample_concat = np.concatenate(S_sample_list) + fig = px.imshow(all_probs_concat.mean(0).T, + labels=dict(x="positions", y="amino acids", color="probability"), + y=list(alphabet), + template="simple_white" + ) + fig.update_xaxes(side="top") + return message, fig + + + +proteinMPNN = gr.Blocks() + +with proteinMPNN: + gr.Markdown("# ProteinMPNN") + with gr.Tabs(): + with gr.TabItem("Input"): + inp = gr.Textbox( placeholder="PDB Code or upload file below", label="Input structure" + ) + file = gr.File(file_count="single", type="file") + + with gr.TabItem("Settings"): + with gr.Row(): + designed_chain = gr.Textbox(value="A", label="Designed chain") + fixed_chain = gr.Textbox(placeholder="Use commas to fix multiple chains", label="Fixed chain") + with gr.Row(): + num_seqs = gr.Slider(minimum=1,maximum=50, value=1,step=1, label="Number of sequences") + sampling_temp = gr.Radio(choices=[0.1, 0.15, 0.2, 0.25, 0.3], value=0.1, label="Sampling temperature") + btn = gr.Button("Run") + gr.Markdown( + """ Sampling temperature for amino acids, `T=0.0` means taking argmax, `T>>1.0` means sample randomly. Suggested values `0.1, 0.15, 0.2, 0.25, 0.3`. Higher values will lead to more diversity. + """ + ) + + + gr.Markdown("# Output") + out = gr.Textbox(label="status") + plot = gr.Plot() + btn.click(fn=update, inputs=[inp, file, designed_chain, fixed_chain, num_seqs, sampling_temp], outputs=[out, plot]) + +proteinMPNN.launch(share=True) + diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..cfcd46dafd12ea16e77676106597d55f9e9f0cbb --- /dev/null +++ b/requirements.txt @@ -0,0 +1,4 @@ +torch +numpy +pandas +plotly