diff --git a/ProteinMPNN b/ProteinMPNN deleted file mode 160000 index 8907e6671bfbfc92303b5f79c4b5e6ce47cdef57..0000000000000000000000000000000000000000 --- a/ProteinMPNN +++ /dev/null @@ -1 +0,0 @@ -Subproject commit 8907e6671bfbfc92303b5f79c4b5e6ce47cdef57 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..0d3033865f5199f7c35ad65a3c5dff3b5a9466f0 --- /dev/null +++ b/ProteinMPNN/README.md @@ -0,0 +1,111 @@ +# 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_model_weights/v_48_002.pt, v_48_010.pt, v_48_020.pt, v_48_030.pt`, `soluble_model_weights/v_48_010.pt, v_48_020.pt`. + +CA only models: `ca_model_weights/v_48_002.pt, v_48_010.pt, v_48_020.pt`. Enable flag `--ca_only` to use these models. + +Helper scripts: `helper_scripts` - helper functions to parse PDBs, assign which chains to design, which residues to fix, adding AA bias, tying residues etc. + +Code organization: +* `protein_mpnn_run.py` - the main script to initialialize and run the model. +* `protein_mpnn_utils.py` - utility functions for the main script. +* `examples/` - simple code examples. +* `inputs/` - input PDB files for examples +* `outputs/` - outputs from examples +* `colab_notebooks/` - Google Colab examples +* `training/` - code and data to retrain the model +----------------------------------------------------------------------------------------------------- +Input flags for `protein_mpnn_run.py`: +``` + argparser.add_argument("--suppress_print", type=int, default=0, help="0 for False, 1 for True") + argparser.add_argument("--ca_only", action="store_true", default=False, help="Parse CA-only structures and use CA-only models (default: false)") + 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("--use_soluble_model", action="store_true", default=False, help="Flag to load ProteinMPNN weights trained on soluble proteins only.") + argparser.add_argument("--seed", type=int, default=0, help="If set to 0 then a random seed will be picked;") + 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("--path_to_fasta", type=str, default="", help="score provided input sequence in a fasta format; e.g. GGGGGG/PPPPS/WWW for chains A, B, C sorted alphabetically and separated by /") + 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("--unconditional_probs_only", type=int, default=0, help="0 for False, 1 for True; output unconditional probabilities p(s_i given backbone) in one forward pass") + 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=200000, 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. 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") + +``` +----------------------------------------------------------------------------------------------------- +For example to make a conda environment to run ProteinMPNN: +* `conda create --name mlfold` - this creates conda environment called `mlfold` +* `source activate mlfold` - this activate environment +* `conda install pytorch torchvision torchaudio cudatoolkit=11.3 -c pytorch` - install pytorch following steps from https://pytorch.org/ +----------------------------------------------------------------------------------------------------- +These are provided `examples/`: +* `submit_example_1.sh` - simple monomer example +* `submit_example_2.sh` - simple multi-chain example +* `submit_example_3.sh` - directly from the .pdb path +* `submit_example_3_score_only.sh` - return score only (model's uncertainty) +* `submit_example_3_score_only_from_fasta.sh` - return score only (model's uncertainty) loading sequence from fasta files +* `submit_example_4.sh` - fix some residue positions +* `submit_example_4_non_fixed.sh` - specify which positions to design +* `submit_example_5.sh` - tie some positions together (symmetry) +* `submit_example_6.sh` - homooligomer example +* `submit_example_7.sh` - return sequence unconditional probabilities (PSSM like) +* `submit_example_8.sh` - add amino acid bias +* `submit_example_pssm.sh` - use PSSM bias when designing sequences +----------------------------------------------------------------------------------------------------- +Output example: +``` +>3HTN, score=1.1705, global_score=1.2045, fixed_chains=['B'], designed_chains=['A', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=1, score=0.7291, global_score=0.9330, seq_recovery=0.5736 +NMYSYKKIGNKYIVSINNHTEIVKALKKFCEEKNIKSGSVNGIGSIGSVTLKFYNLETKEEELKTFNANFEISNLTGFISMHDNKVFLDLHITIGDENFSALAGHLVSAVVNGTCELIVEDFNELVSTKYNEELGLWLLDFEK/NMYSYKKIGNKYIVSINNHTDIVTAIKKFCEDKKIKSGTINGIGQVKEVTLEFRNFETGEKEEKTFKKQFTISNLTGFISTKDGKVFLDLHITFGDENFSALAGHLISAIVDGKCELIIEDYNEEINVKYNEELGLYLLDFNK +>T=0.1, sample=2, score=0.7414, global_score=0.9355, seq_recovery=0.6075 +NMYKYKKIGNKYIVSINNHTEIVKAIKEFCKEKNIKSGTINGIGQVGKVTLRFYNPETKEYTEKTFNDNFEISNLTGFISTYKNEVFLHLHITFGKSDFSALAGHLLSAIVNGICELIVEDFKENLSMKYDEKTGLYLLDFEK/NMYKYKKIGNKYVVSINNHTEIVEALKAFCEDKKIKSGTVNGIGQVSKVTLKFFNIETKESKEKTFNKNFEISNLTGFISEINGEVFLHLHITIGDENFSALAGHLLSAVVNGEAILIVEDYKEKVNRKYNEELGLNLLDFNL +``` +* `score` - average over residues that were designed negative log probability of sampled amino acids +* `global score` - average over all residues in all chains negative log probability of sampled/fixed amino acids +* `fixed_chains` - chains that were not designed (fixed) +* `designed_chains` - chains that were redesigned +* `model_name/CA_model_name` - model name that was used to generate results, e.g. `v_48_020` +* `git_hash` - github version that was used to generate outputs +* `seed` - random seed +* `T=0.1` - temperature equal to 0.1 was used to sample sequences +* `sample` - sequence sample number 1, 2, 3...etc +----------------------------------------------------------------------------------------------------- +``` +@article{dauparas2022robust, + title={Robust deep learning--based protein sequence design using ProteinMPNN}, + author={Dauparas, Justas and Anishchenko, Ivan and Bennett, Nathaniel and Bai, Hua and Ragotte, Robert J and Milles, Lukas F and Wicky, Basile IM and Courbet, Alexis and de Haas, Rob J and Bethel, Neville and others}, + journal={Science}, + volume={378}, + number={6615}, + pages={49--56}, + year={2022}, + publisher={American Association for the Advancement of Science} +} +``` +----------------------------------------------------------------------------------------------------- diff --git a/ProteinMPNN/ca_model_weights/v_48_002.pt b/ProteinMPNN/ca_model_weights/v_48_002.pt new file mode 100644 index 0000000000000000000000000000000000000000..a7e5820ed4b5293b0f7967c88b18aeca96d4a23f --- /dev/null +++ b/ProteinMPNN/ca_model_weights/v_48_002.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec038b44a987d7c8351b6ed887c82a2370d54e45e55a6bdaf508a729cef0340e +size 6624011 diff --git a/ProteinMPNN/ca_model_weights/v_48_010.pt b/ProteinMPNN/ca_model_weights/v_48_010.pt new file mode 100644 index 0000000000000000000000000000000000000000..809e27eea1dc02e5cc94bb5d9285144d2bb8eaed --- /dev/null +++ b/ProteinMPNN/ca_model_weights/v_48_010.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cdb50498d45578d20b271fa7817b8cd8bfde3875ad69dbd3f5e4b5dd3e588301 +size 6624011 diff --git a/ProteinMPNN/ca_model_weights/v_48_020.pt b/ProteinMPNN/ca_model_weights/v_48_020.pt new file mode 100644 index 0000000000000000000000000000000000000000..8e05a785ad84ea2a4a26cd1fd83b2b3be993d2a6 --- /dev/null +++ b/ProteinMPNN/ca_model_weights/v_48_020.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f28f40170e21858c5ff31ef50b6e63414ff76dc331b19f85aa8586a12031744a +size 6624011 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/ca_only_quickdemo.ipynb b/ProteinMPNN/colab_notebooks/ca_only_quickdemo.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..faa158fbd9d2d22b93941303fd37a585986e7e54 --- /dev/null +++ b/ProteinMPNN/colab_notebooks/ca_only_quickdemo.ipynb @@ -0,0 +1,544 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": { + "id": "view-in-github", + "colab_type": "text" + }, + "source": [ + "\"Open" + ] + }, + { + "cell_type": "markdown", + "metadata": { + "id": "AYZebfKn8gef" + }, + "source": [ + "#ProteinMPNN\n", + "This notebook is intended as a quick demo, more features to come!" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": { + "id": "iYDU3ftml2k5" + }, + "outputs": [], + "source": [ + "#@title Clone github repo\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/')" + ] + }, + { + "cell_type": "code", + "source": [ + "#@title Setup Model\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", + "#v_48_010=version with 48 edges 0.10A noise\n", + "model_name = \"v_48_002\" #@param [\"v_48_002\", \"v_48_020\"]\n", + "\n", + "\n", + "backbone_noise=0.00 # Standard deviation of Gaussian noise to add to backbone atoms\n", + "\n", + "path_to_model_weights='/content/ProteinMPNN/ca_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(ca_only=True, 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": { + "colab": { + "base_uri": "https://localhost:8080/" + }, + "id": "2nKSlaMlSpcf", + "outputId": "f4fa14ea-d34a-4381-f2ad-7032e1465d93" + }, + "execution_count": 3, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "Number of edges: 48\n", + "Training noise level: 0.02A\n", + "Model loaded\n" + ] + } + ] + }, + { + "cell_type": "code", + "source": [ + "#@title Helper functions\n", + "def make_tied_positions_for_homomers(pdb_dict_list):\n", + " my_dict = {}\n", + " for result in pdb_dict_list:\n", + " all_chain_list = sorted([item[-1:] for item in list(result) if item[:9]=='seq_chain']) #A, B, C, ...\n", + " tied_positions_list = []\n", + " chain_length = len(result[f\"seq_chain_{all_chain_list[0]}\"])\n", + " for i in range(1,chain_length+1):\n", + " temp_dict = {}\n", + " for j, chain in enumerate(all_chain_list):\n", + " temp_dict[chain] = [i] #needs to be a list\n", + " tied_positions_list.append(temp_dict)\n", + " my_dict[result['name']] = tied_positions_list\n", + " return my_dict" + ], + "metadata": { + "id": "yjnUkQuZX-de" + }, + "execution_count": 4, + "outputs": [] + }, + { + "cell_type": "markdown", + "source": [ + "Examples: \n", + "\n", + "1) pdb: 6MRR, homomer: False, designed_chain: A\n", + "\n", + "2) pdb: 1O91, homomer: True, designed_chain: A B C, for correct symmetric tying lenghts of homomer chains should be the same" + ], + "metadata": { + "id": "bgRXscTaYuqM" + } + }, + { + "cell_type": "code", + "execution_count": 5, + "metadata": { + "cellView": "form", + "id": "k4o6w2Y23wxO", + "colab": { + "base_uri": "https://localhost:8080/" + }, + "outputId": "1512769c-a733-4e41-bb6b-25ab58fa7415" + }, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "{'1O91': (['A', 'B', 'C'], [])}\n", + "Length of chain C is 131\n", + "Length of chain A is 131\n", + "Length of chain B is 131\n" + ] + } + ], + "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='1O91' #@param {type:\"string\"}\n", + "pdb_path = get_pdb(pdb)\n", + "#@markdown - pdb code (leave blank to get an upload prompt)\n", + "\n", + "homomer = True #@param {type:\"boolean\"}\n", + "designed_chain = \"A B C\" #@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 = 2 #@param [\"1\", \"2\", \"4\", \"8\", \"16\", \"32\", \"64\"] {type:\"raw\"}\n", + "num_seq_per_target = num_seqs\n", + "\n", + "#@markdown - Sampling temperature for amino acids, T=0.0 means taking argmax, T>>1.0 means sample randomly.\n", + "sampling_temp = \"0.1\" #@param [\"0.0001\", \"0.1\", \"0.15\", \"0.2\", \"0.25\", \"0.3\", \"0.5\"]\n", + "\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)\n", + "for chain in chain_list:\n", + " l = len(pdb_dict_list[0][f\"seq_chain_{chain}\"])\n", + " print(f\"Length of chain {chain} is {l}\")\n", + "\n", + "if homomer:\n", + " tied_positions_dict = make_tied_positions_for_homomers(pdb_dict_list)\n", + "else:\n", + " tied_positions_dict = None" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": { + "id": "xMVlYh8Fv2of", + "colab": { + "base_uri": "https://localhost:8080/" + }, + "outputId": "1f9245fd-1cfd-4ada-a9e3-1d5eb41287c9" + }, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "Generating sequences...\n", + ">1O91, score=1.3644, fixed_chains=[], designed_chains=['A', 'B', 'C'], model_name=v_48_002\n", + "EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM/EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM/EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM\n", + ">T=0.1, sample=0, score=0.7283, seq_recovery=0.5038\n", + "EIEAFTASLTTSFPAVGTPIVFDTVLYNGLNCYDPATGIFTCKTPGIYFFSWTIYTKGQDVLVNLYKNTTAVKSSYMEAVPGHLSQTSTSAVLKLKVGDKVYVQSPSAAANGIYASSTNHSSFSGFLLEKA/EIEAFTASLTTSFPAVGTPIVFDTVLYNGLNCYDPATGIFTCKTPGIYFFSWTIYTKGQDVLVNLYKNTTAVKSSYMEAVPGHLSQTSTSAVLKLKVGDKVYVQSPSAAANGIYASSTNHSSFSGFLLEKA/EIEAFTASLTTSFPAVGTPIVFDTVLYNGLNCYDPATGIFTCKTPGIYFFSWTIYTKGQDVLVNLYKNTTAVKSSYMEAVPGHLSQTSTSAVLKLKVGDKVYVQSPSAAANGIYASSTNHSSFSGFLLEKA\n", + ">T=0.1, sample=0, score=0.7394, seq_recovery=0.5115\n", + "SIEAFTALLTKSFPAVGTPIKFDKIIYNGLNVYDPATGVFTCKTPGIYQFAWLLYTKGADTYAVLYKNDEAIQNTYREAVPGHLDQTSGSAVLELKEGDKVYVMTPSAAANGVYASETNHSSFSGWLLEKK/SIEAFTALLTKSFPAVGTPIKFDKIIYNGLNVYDPATGVFTCKTPGIYQFAWLLYTKGADTYAVLYKNDEAIQNTYREAVPGHLDQTSGSAVLELKEGDKVYVMTPSAAANGVYASETNHSSFSGWLLEKK/SIEAFTALLTKSFPAVGTPIKFDKIIYNGLNVYDPATGVFTCKTPGIYQFAWLLYTKGADTYAVLYKNDEAIQNTYREAVPGHLDQTSGSAVLELKEGDKVYVMTPSAAANGVYASETNHSSFSGWLLEKK\n" + ] + } + ], + "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, ca_only=True)\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)" + ] + }, + { + "cell_type": "code", + "source": [ + "#@markdown ### Amino acid probabilties\n", + "import plotly.express as px\n", + "fig = px.imshow(np.exp(all_log_probs_concat).mean(0).T,\n", + " labels=dict(x=\"positions\", y=\"amino acids\", color=\"probability\"),\n", + " y=list(alphabet),\n", + " template=\"simple_white\"\n", + " )\n", + "\n", + "fig.update_xaxes(side=\"top\")\n", + "\n", + "\n", + "fig.show()" + ], + "metadata": { + "id": "xbsaRChNfybM", + "outputId": "c668a192-1e0b-4953-95f0-b6fb029748ba", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 542 + } + }, + "execution_count": 10, + "outputs": [ + { + "output_type": "display_data", + "data": { + "text/html": [ + "\n", + "\n", + "\n", + "
\n", + "
\n", + "\n", + "" + ] + }, + "metadata": {} + } + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "metadata": { + "id": "4jSKLU3L17Sf", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 542 + }, + "outputId": "a3fe9b56-bc58-4ad9-ae93-0f80b53c9e83", + "cellView": "form" + }, + "outputs": [ + { + "output_type": "display_data", + "data": { + "text/html": [ + "\n", + "\n", + "\n", + "
\n", + "
\n", + "\n", + "" + ] + }, + "metadata": {} + } + ], + "source": [ + "#@markdown ### Sampling temperature adjusted amino acid probabilties\n", + "import plotly.express as px\n", + "fig = px.imshow(all_probs_concat.mean(0).T,\n", + " labels=dict(x=\"positions\", y=\"amino acids\", color=\"probability\"),\n", + " y=list(alphabet),\n", + " template=\"simple_white\"\n", + " )\n", + "\n", + "fig.update_xaxes(side=\"top\")\n", + "\n", + "\n", + "fig.show()" + ] + } + ], + "metadata": { + "colab": { + "name": "ca_only_quickdemo.ipynb", + "provenance": [], + "include_colab_link": true + }, + "kernelspec": { + "display_name": "Python 3", + "name": "python3" + }, + "language_info": { + "name": "python" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} \ No newline at end of file diff --git a/ProteinMPNN/colab_notebooks/quickdemo.ipynb b/ProteinMPNN/colab_notebooks/quickdemo.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..873f3a9b86d077e93adf9c2525830df6c417e26e --- /dev/null +++ b/ProteinMPNN/colab_notebooks/quickdemo.ipynb @@ -0,0 +1,554 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": { + "id": "view-in-github", + "colab_type": "text" + }, + "source": [ + "\"Open" + ] + }, + { + "cell_type": "markdown", + "metadata": { + "id": "AYZebfKn8gef" + }, + "source": [ + "#ProteinMPNN\n", + "This notebook is intended as a quick demo, more features to come!" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": { + "id": "iYDU3ftml2k5" + }, + "outputs": [], + "source": [ + "#@title Clone github repo\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')" + ] + }, + { + "cell_type": "code", + "source": [ + "#@title Setup Model\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", + "#v_48_010=version with 48 edges 0.10A noise\n", + "model_name = \"v_48_020\" #@param [\"v_48_002\", \"v_48_010\", \"v_48_020\", \"v_48_030\"]\n", + "\n", + "\n", + "backbone_noise=0.00 # Standard deviation of Gaussian noise to add to backbone atoms\n", + "\n", + "path_to_model_weights='/content/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": { + "colab": { + "base_uri": "https://localhost:8080/" + }, + "id": "2nKSlaMlSpcf", + "outputId": "293c6f08-8256-4e08-d8ab-3c2a02ab74b8" + }, + "execution_count": 10, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "Number of edges: 48\n", + "Training noise level: 0.2A\n", + "Model loaded\n" + ] + } + ] + }, + { + "cell_type": "code", + "source": [ + "#@title Helper functions\n", + "def make_tied_positions_for_homomers(pdb_dict_list):\n", + " my_dict = {}\n", + " for result in pdb_dict_list:\n", + " all_chain_list = sorted([item[-1:] for item in list(result) if item[:9]=='seq_chain']) #A, B, C, ...\n", + " tied_positions_list = []\n", + " chain_length = len(result[f\"seq_chain_{all_chain_list[0]}\"])\n", + " for i in range(1,chain_length+1):\n", + " temp_dict = {}\n", + " for j, chain in enumerate(all_chain_list):\n", + " temp_dict[chain] = [i] #needs to be a list\n", + " tied_positions_list.append(temp_dict)\n", + " my_dict[result['name']] = tied_positions_list\n", + " return my_dict" + ], + "metadata": { + "id": "yjnUkQuZX-de" + }, + "execution_count": 11, + "outputs": [] + }, + { + "cell_type": "markdown", + "source": [ + "Examples: \n", + "\n", + "1) pdb: 6MRR, homomer: False, designed_chain: A\n", + "\n", + "2) pdb: 1O91, homomer: True, designed_chain: A B C, for correct symmetric tying lenghts of homomer chains should be the same" + ], + "metadata": { + "id": "bgRXscTaYuqM" + } + }, + { + "cell_type": "code", + "execution_count": 12, + "metadata": { + "id": "k4o6w2Y23wxO", + "colab": { + "base_uri": "https://localhost:8080/" + }, + "outputId": "58d89f72-5d3c-44a7-c2cb-e26c3c54d43f" + }, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "{'1O91': (['A', 'B', 'C'], [])}\n", + "Length of chain C is 131\n", + "Length of chain B is 131\n", + "Length of chain A is 131\n" + ] + } + ], + "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='1O91' #@param {type:\"string\"}\n", + "pdb_path = get_pdb(pdb)\n", + "#@markdown - pdb code (leave blank to get an upload prompt)\n", + "\n", + "homomer = True #@param {type:\"boolean\"}\n", + "designed_chain = \"A B C\" #@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", + "\n", + "#@markdown - Sampling temperature for amino acids, T=0.0 means taking argmax, T>>1.0 means sample randomly.\n", + "sampling_temp = \"0.1\" #@param [\"0.0001\", \"0.1\", \"0.15\", \"0.2\", \"0.25\", \"0.3\", \"0.5\"]\n", + "\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)\n", + "for chain in chain_list:\n", + " l = len(pdb_dict_list[0][f\"seq_chain_{chain}\"])\n", + " print(f\"Length of chain {chain} is {l}\")\n", + "\n", + "if homomer:\n", + " tied_positions_dict = make_tied_positions_for_homomers(pdb_dict_list)\n", + "else:\n", + " tied_positions_dict = None" + ] + }, + { + "cell_type": "code", + "execution_count": 13, + "metadata": { + "cellView": "form", + "id": "xMVlYh8Fv2of", + "colab": { + "base_uri": "https://localhost:8080/" + }, + "outputId": "7b3d1839-d872-4f48-f907-775eaf035754" + }, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "Generating sequences...\n", + ">1O91, score=1.3217, fixed_chains=[], designed_chains=['A', 'B', 'C'], model_name=v_48_020\n", + "EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM/EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM/EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM\n", + ">T=0.1, sample=0, score=0.6755, seq_recovery=0.4885\n", + "EVEAFTALLTTPHPPVGEPIKFNKLVYNGRNVYDPATGIFTVKTPGVYFFTFVLYVYGADLHAELMKNDTPVIKVYLQTVNGKINQVSGAAVLELEEGDKVYVKIPSASANGLWASADAHSYFSGYLLTEK/EVEAFTALLTTPHPPVGEPIKFNKLVYNGRNVYDPATGIFTVKTPGVYFFTFVLYVYGADLHAELMKNDTPVIKVYLQTVNGKINQVSGAAVLELEEGDKVYVKIPSASANGLWASADAHSYFSGYLLTEK/EVEAFTALLTTPHPPVGEPIKFNKLVYNGRNVYDPATGIFTVKTPGVYFFTFVLYVYGADLHAELMKNDTPVIKVYLQTVNGKINQVSGAAVLELEEGDKVYVKIPSASANGLWASADAHSYFSGYLLTEK\n" + ] + } + ], + "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)" + ] + }, + { + "cell_type": "code", + "source": [ + "#@markdown ### Amino acid probabilties\n", + "import plotly.express as px\n", + "fig = px.imshow(np.exp(all_log_probs_concat).mean(0).T,\n", + " labels=dict(x=\"positions\", y=\"amino acids\", color=\"probability\"),\n", + " y=list(alphabet),\n", + " template=\"simple_white\"\n", + " )\n", + "\n", + "fig.update_xaxes(side=\"top\")\n", + "\n", + "\n", + "fig.show()" + ], + "metadata": { + "cellView": "form", + "id": "xbsaRChNfybM", + "outputId": "e87c30dc-d960-4878-acae-f67a3b69fc1c", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 542 + } + }, + "execution_count": 14, + "outputs": [ + { + "output_type": "display_data", + "data": { + "text/html": [ + "\n", + "\n", + "\n", + "
\n", + "
\n", + "\n", + "" + ] + }, + "metadata": {} + } + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "metadata": { + "id": "4jSKLU3L17Sf", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 542 + }, + "outputId": "75b5c2bd-bf41-450c-b994-2d1e37e59236", + "cellView": "form" + }, + "outputs": [ + { + "output_type": "display_data", + "data": { + "text/html": [ + "\n", + "\n", + "\n", + "
\n", + "
\n", + "\n", + "" + ] + }, + "metadata": {} + } + ], + "source": [ + "#@markdown ### Sampling temperature adjusted amino acid probabilties\n", + "import plotly.express as px\n", + "fig = px.imshow(all_probs_concat.mean(0).T,\n", + " labels=dict(x=\"positions\", y=\"amino acids\", color=\"probability\"),\n", + " y=list(alphabet),\n", + " template=\"simple_white\"\n", + " )\n", + "\n", + "fig.update_xaxes(side=\"top\")\n", + "\n", + "\n", + "fig.show()" + ] + }, + { + "cell_type": "code", + "source": [ + "" + ], + "metadata": { + "id": "kWGtCvOHK3GH" + }, + "execution_count": null, + "outputs": [] + } + ], + "metadata": { + "colab": { + "name": "quickdemo.ipynb", + "provenance": [], + "include_colab_link": true + }, + "kernelspec": { + "display_name": "Python 3", + "name": "python3" + }, + "language_info": { + "name": "python" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} \ No newline at end of file diff --git a/ProteinMPNN/colab_notebooks/quickdemo_wAF2.ipynb b/ProteinMPNN/colab_notebooks/quickdemo_wAF2.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..6ed9c7f213b68595ae7b6d4dab49c2f3b6b07643 --- /dev/null +++ b/ProteinMPNN/colab_notebooks/quickdemo_wAF2.ipynb @@ -0,0 +1,612 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": { + "id": "view-in-github", + "colab_type": "text" + }, + "source": [ + "\"Open" + ] + }, + { + "cell_type": "markdown", + "metadata": { + "id": "AYZebfKn8gef" + }, + "source": [ + "#ProteinMPNN w/AF2\n", + "This notebook is intended as a quick demo, more features to come!\n", + "\n", + "Examples: \n", + "1. pdb: `6MRR`, homomer: `False`, designed_chain: `A`\n", + "2. pdb: `1X2I`, homomer: `True`, designed_chain: `A,B` \n", + " (for correct symmetric tying lenghts of homomer chains should be the same)" + ] + }, + { + "cell_type": "code", + "source": [ + "#@title Setup ProteinMPNN\n", + "import warnings\n", + "warnings.simplefilter(action='ignore', category=FutureWarning)\n", + "\n", + "import json, time, os, sys, glob, re\n", + "from google.colab import files\n", + "import numpy as np\n", + "\n", + "if not os.path.isdir(\"ProteinMPNN\"):\n", + " os.system(\"git clone -q https://github.com/dauparas/ProteinMPNN.git\")\n", + "\n", + "if \"ProteinMPNN\" not in sys.path:\n", + " sys.path.append('/content/ProteinMPNN')\n", + "\n", + "import matplotlib.pyplot as plt\n", + "import shutil\n", + "import warnings\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(\"cpu\")\n", + "#v_48_010=version with 48 edges 0.10A noise\n", + "model_name = \"v_48_020\" #@param [\"v_48_002\", \"v_48_010\", \"v_48_020\", \"v_48_030\"]\n", + "\n", + "\n", + "backbone_noise=0.00 # Standard deviation of Gaussian noise to add to backbone atoms\n", + "\n", + "path_to_model_weights='/content/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\")\n", + "\n", + "def make_tied_positions_for_homomers(pdb_dict_list):\n", + " my_dict = {}\n", + " for result in pdb_dict_list:\n", + " all_chain_list = sorted([item[-1:] for item in list(result) if item[:9]=='seq_chain']) #A, B, C, ...\n", + " tied_positions_list = []\n", + " chain_length = len(result[f\"seq_chain_{all_chain_list[0]}\"])\n", + " for i in range(1,chain_length+1):\n", + " temp_dict = {}\n", + " for j, chain in enumerate(all_chain_list):\n", + " temp_dict[chain] = [i] #needs to be a list\n", + " tied_positions_list.append(temp_dict)\n", + " my_dict[result['name']] = tied_positions_list\n", + " return my_dict\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\"" + ], + "metadata": { + "id": "2nKSlaMlSpcf", + "cellView": "form" + }, + "execution_count": null, + "outputs": [] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "cellView": "form", + "id": "xMVlYh8Fv2of" + }, + "outputs": [], + "source": [ + "#@title #Run ProteinMPNN\n", + "\n", + "#@markdown #### Input Options\n", + "pdb='6MRR' #@param {type:\"string\"}\n", + "pdb = pdb.replace(\" \",\"\")\n", + "pdb_path = get_pdb(pdb)\n", + "#@markdown - pdb code (leave blank to get an upload prompt)\n", + "\n", + "homomer = False #@param {type:\"boolean\"}\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 = 8 #@param [\"1\", \"2\", \"4\", \"8\", \"16\", \"32\", \"64\"] {type:\"raw\"}\n", + "num_seq_per_target = num_seqs\n", + "\n", + "#@markdown - Sampling temperature for amino acids, T=0.0 means taking argmax, T>>1.0 means sample randomly.\n", + "sampling_temp = \"0.1\" #@param [\"0.0001\", \"0.1\", \"0.15\", \"0.2\", \"0.25\", \"0.3\", \"0.5\"]\n", + "\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)\n", + "for chain in chain_list:\n", + " l = len(pdb_dict_list[0][f\"seq_chain_{chain}\"])\n", + " print(f\"Length of chain {chain} is {l}\")\n", + "\n", + "if homomer:\n", + " tied_positions_dict = make_tied_positions_for_homomers(pdb_dict_list)\n", + "else:\n", + " tied_positions_dict = None\n", + "\n", + "#################################################################\n", + "sequences = []\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", + " sequences.append(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)" + ] + }, + { + "cell_type": "markdown", + "source": [ + "# Predict with AlphaFold2 (with single-sequence input)" + ], + "metadata": { + "id": "5mQ4VLG1dPsd" + } + }, + { + "cell_type": "code", + "source": [ + "#@title Setup AlphaFold\n", + "\n", + "# import libraries\n", + "from IPython.utils import io\n", + "import os,sys,re\n", + "\n", + "if \"af_backprop\" not in sys.path:\n", + " import tensorflow as tf\n", + " import jax\n", + " import jax.numpy as jnp\n", + " import numpy as np\n", + " import matplotlib\n", + " from matplotlib import animation\n", + " import matplotlib.pyplot as plt\n", + " from IPython.display import HTML\n", + " import tqdm.notebook\n", + " TQDM_BAR_FORMAT = '{l_bar}{bar}| {n_fmt}/{total_fmt} [elapsed: {elapsed} remaining: {remaining}]'\n", + "\n", + " with io.capture_output() as captured:\n", + " # install ALPHAFOLD\n", + " if not os.path.isdir(\"af_backprop\"):\n", + " %shell git clone https://github.com/sokrypton/af_backprop.git\n", + " %shell pip -q install biopython dm-haiku ml-collections py3Dmol\n", + " %shell wget -qnc https://raw.githubusercontent.com/sokrypton/ColabFold/main/beta/colabfold.py\n", + " if not os.path.isdir(\"params\"):\n", + " %shell mkdir params\n", + " %shell curl -fsSL https://storage.googleapis.com/alphafold/alphafold_params_2021-07-14.tar | tar x -C params\n", + "\n", + " if not os.path.exists(\"MMalign\"):\n", + " # install MMalign\n", + " os.system(\"wget -qnc https://zhanggroup.org/MM-align/bin/module/MMalign.cpp\")\n", + " os.system(\"g++ -static -O3 -ffast-math -o MMalign MMalign.cpp\")\n", + "\n", + " def mmalign(pdb_a,pdb_b):\n", + " # pass to MMalign\n", + " output = os.popen(f'./MMalign {pdb_a} {pdb_b}')\n", + " # parse outputs\n", + " parse_float = lambda x: float(x.split(\"=\")[1].split()[0])\n", + " tms = []\n", + " for line in output:\n", + " line = line.rstrip()\n", + " if line.startswith(\"TM-score\"): tms.append(parse_float(line))\n", + " return tms\n", + "\n", + " # configure which device to use\n", + " try:\n", + " # check if TPU is available\n", + " import jax.tools.colab_tpu\n", + " jax.tools.colab_tpu.setup_tpu()\n", + " print('Running on TPU')\n", + " DEVICE = \"tpu\"\n", + " except:\n", + " if jax.local_devices()[0].platform == 'cpu':\n", + " print(\"WARNING: no GPU detected, will be using CPU\")\n", + " DEVICE = \"cpu\"\n", + " else:\n", + " print('Running on GPU')\n", + " DEVICE = \"gpu\"\n", + " # disable GPU on tensorflow\n", + " tf.config.set_visible_devices([], 'GPU')\n", + "\n", + " # import libraries\n", + " sys.path.append('af_backprop')\n", + " from utils import update_seq, update_aatype, get_plddt, get_pae\n", + " import colabfold as cf\n", + " from alphafold.common import protein as alphafold_protein\n", + " from alphafold.data import pipeline\n", + " from alphafold.model import data, config\n", + " from alphafold.common import residue_constants\n", + " from alphafold.model import model as alphafold_model\n", + "\n", + "# custom functions\n", + "def clear_mem():\n", + " backend = jax.lib.xla_bridge.get_backend()\n", + " for buf in backend.live_buffers(): buf.delete()\n", + "\n", + "def setup_model(max_len):\n", + " clear_mem()\n", + "\n", + " # setup model\n", + " cfg = config.model_config(\"model_3_ptm\")\n", + " cfg.model.num_recycle = 0\n", + " cfg.data.common.num_recycle = 0\n", + " cfg.data.eval.max_msa_clusters = 1\n", + " cfg.data.common.max_extra_msa = 1\n", + " cfg.data.eval.masked_msa_replace_fraction = 0\n", + " cfg.model.global_config.subbatch_size = None\n", + "\n", + " # get params\n", + " model_param = data.get_model_haiku_params(model_name=\"model_3_ptm\", data_dir=\".\")\n", + " model_runner = alphafold_model.RunModel(cfg, model_param, is_training=False, recycle_mode=\"none\")\n", + "\n", + " model_params = []\n", + " for k in [1,2,3,4,5]:\n", + " if k == 3:\n", + " model_params.append(model_param)\n", + " else:\n", + " params = data.get_model_haiku_params(model_name=f\"model_{k}_ptm\", data_dir=\".\")\n", + " model_params.append({k: params[k] for k in model_runner.params.keys()})\n", + "\n", + " seq = \"A\" * max_len\n", + " length = len(seq)\n", + " feature_dict = {\n", + " **pipeline.make_sequence_features(sequence=seq, description=\"none\", num_res=length),\n", + " **pipeline.make_msa_features(msas=[[seq]], deletion_matrices=[[[0]*length]])\n", + " }\n", + " inputs = model_runner.process_features(feature_dict,random_seed=0)\n", + "\n", + " def runner(I, params):\n", + " # update sequence\n", + " inputs = I[\"inputs\"]\n", + " inputs.update(I[\"prev\"])\n", + "\n", + " seq = jax.nn.one_hot(I[\"seq\"],20)\n", + " update_seq(seq, inputs)\n", + " update_aatype(inputs[\"target_feat\"][...,1:], inputs)\n", + "\n", + " # mask prediction\n", + " mask = jnp.arange(inputs[\"residue_index\"].shape[0]) < I[\"length\"]\n", + " inputs[\"seq_mask\"] = inputs[\"seq_mask\"].at[:].set(mask)\n", + " inputs[\"msa_mask\"] = inputs[\"msa_mask\"].at[:].set(mask)\n", + " inputs[\"residue_index\"] = jnp.where(mask, inputs[\"residue_index\"], 0)\n", + "\n", + " # get prediction\n", + " key = jax.random.PRNGKey(0)\n", + " outputs = model_runner.apply(params, key, inputs)\n", + "\n", + " prev = {\"init_msa_first_row\":outputs['representations']['msa_first_row'][None],\n", + " \"init_pair\":outputs['representations']['pair'][None],\n", + " \"init_pos\":outputs['structure_module']['final_atom_positions'][None]}\n", + " \n", + " aux = {\"final_atom_positions\":outputs[\"structure_module\"][\"final_atom_positions\"],\n", + " \"final_atom_mask\":outputs[\"structure_module\"][\"final_atom_mask\"],\n", + " \"plddt\":get_plddt(outputs),\"pae\":get_pae(outputs),\n", + " \"length\":I[\"length\"], \"seq\":I[\"seq\"], \"prev\":prev,\n", + " \"residue_idx\":inputs[\"residue_index\"][0]}\n", + " return aux\n", + "\n", + " return jax.jit(runner), model_params, {\"inputs\":inputs, \"length\":max_length}\n", + "\n", + "def save_pdb(outs, filename, Ls=None):\n", + " '''save pdb coordinates'''\n", + " p = {\"residue_index\":outs[\"residue_idx\"] + 1,\n", + " \"aatype\":outs[\"seq\"],\n", + " \"atom_positions\":outs[\"final_atom_positions\"],\n", + " \"atom_mask\":outs[\"final_atom_mask\"],\n", + " \"plddt\":outs[\"plddt\"]}\n", + " p = jax.tree_map(lambda x:x[:outs[\"length\"]], p)\n", + " b_factors = 100 * p.pop(\"plddt\")[:,None] * p[\"atom_mask\"]\n", + " p = alphafold_protein.Protein(**p,b_factors=b_factors)\n", + " pdb_lines = alphafold_protein.to_pdb(p)\n", + " with open(filename, 'w') as f:\n", + " f.write(pdb_lines)\n", + " if Ls is not None:\n", + " pdb_lines = cf.read_pdb_renum(filename, Ls)\n", + " with open(filename, 'w') as f:\n", + " f.write(pdb_lines)" + ], + "metadata": { + "cellView": "form", + "id": "4ZBUThXU7yY8" + }, + "execution_count": null, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "#@title Run AlphaFold\n", + "num_models = 1 #@param [\"1\",\"2\",\"3\",\"4\",\"5\"] {type:\"raw\"}\n", + "num_recycles = 1 #@param [\"0\",\"1\",\"2\",\"3\"] {type:\"raw\"}\n", + "num_sequences = len(sequences)\n", + "outs = []\n", + "positions = []\n", + "plddts = []\n", + "paes = []\n", + "LS = []\n", + "\n", + "with tqdm.notebook.tqdm(total=(num_recycles + 1) * num_models * num_sequences, bar_format=TQDM_BAR_FORMAT) as pbar:\n", + " print(f\"seq_num model_num avg_pLDDT avg_pAE TMscore\")\n", + " for s,ori_sequence in enumerate(sequences):\n", + " Ls = [len(s) for s in ori_sequence.replace(\":\",\"/\").split(\"/\")]\n", + " LS.append(Ls)\n", + " sequence = re.sub(\"[^A-Z]\",\"\",ori_sequence)\n", + " length = len(sequence)\n", + "\n", + " # avoid recompiling if length within 25\n", + " if \"max_len\" not in dir() or length > max_len or (max_len - length) > 25:\n", + " max_len = length + 25\n", + " runner, params, I = setup_model(max_len)\n", + "\n", + " outs.append([])\n", + " positions.append([])\n", + " plddts.append([])\n", + " paes.append([])\n", + "\n", + " r = -1\n", + " # pad sequence to max length\n", + " seq = np.array([residue_constants.restype_order.get(aa,0) for aa in sequence])\n", + " seq = np.pad(seq,[0,max_len-length],constant_values=-1)\n", + " I[\"inputs\"]['residue_index'][:] = cf.chain_break(np.arange(max_len), Ls, length=32)\n", + " I.update({\"seq\":seq, \"length\":length})\n", + " \n", + " # for each model\n", + " for n in range(num_models):\n", + " # restart recycle\n", + " I[\"prev\"] = {'init_msa_first_row': np.zeros([1, max_len, 256]),\n", + " 'init_pair': np.zeros([1, max_len, max_len, 128]),\n", + " 'init_pos': np.zeros([1, max_len, 37, 3])}\n", + " for r in range(num_recycles + 1):\n", + " O = runner(I, params[n])\n", + " O = jax.tree_map(lambda x:np.asarray(x), O)\n", + " I[\"prev\"] = O[\"prev\"]\n", + " pbar.update(1)\n", + " \n", + " positions[-1].append(O[\"final_atom_positions\"][:length])\n", + " plddts[-1].append(O[\"plddt\"][:length])\n", + " paes[-1].append(O[\"pae\"][:length,:length])\n", + " outs[-1].append(O)\n", + " save_pdb(outs[-1][-1], f\"out_seq_{s}_model_{n}.pdb\", Ls=LS[-1])\n", + " tmscores = mmalign(pdb_path, f\"out_seq_{s}_model_{n}.pdb\")\n", + " print(f\"{s} {n}\\t{plddts[-1][-1].mean():.3}\\t{paes[-1][-1].mean():.3}\\t{tmscores[-1]:.3}\")" + ], + "metadata": { + "cellView": "form", + "id": "p2uNokqudTSH" + }, + "execution_count": null, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "#@title Display 3D structure {run: \"auto\"}\n", + "#@markdown #### select which sequence to show (if more than one designed example)\n", + "seq_num = 0 #@param [\"0\",\"1\",\"2\",\"3\",\"4\",\"5\",\"6\",\"7\"] {type:\"raw\"}\n", + "assert seq_num < len(outs), f\"ERROR: seq_num ({seq_num}) exceeds number of designed sequences ({num_sequences})\"\n", + "model_num = 0 #@param [\"0\",\"1\",\"2\",\"3\",\"4\"] {type:\"raw\"}\n", + "assert model_num < len(outs[0]), f\"ERROR: model_num ({num_models}) exceeds number of model params used ({num_models})\"\n", + "#@markdown #### options\n", + "\n", + "color = \"confidence\" #@param [\"chain\", \"confidence\", \"rainbow\"]\n", + "if color == \"confidence\": color = \"lDDT\"\n", + "show_sidechains = False #@param {type:\"boolean\"}\n", + "show_mainchains = False #@param {type:\"boolean\"}\n", + "\n", + "v = cf.show_pdb(f\"out_seq_{seq_num}_model_{model_num}.pdb\", show_sidechains, show_mainchains, color,\n", + " color_HP=True, size=(800,480), Ls=LS[seq_num]) \n", + "v.setHoverable({}, True,\n", + " '''function(atom,viewer,event,container){if(!atom.label){atom.label=viewer.addLabel(\" \"+atom.resn+\":\"+atom.resi,{position:atom,backgroundColor:'mintcream',fontColor:'black'});}}''',\n", + " '''function(atom,viewer){if(atom.label){viewer.removeLabel(atom.label);delete atom.label;}}''')\n", + "v.show() \n", + "if color == \"lDDT\":\n", + " cf.plot_plddt_legend().show()\n", + "\n", + "# add confidence plots\n", + "cf.plot_confidence(plddts[seq_num][model_num]*100, paes[seq_num][model_num], Ls=LS[seq_num]).show()" + ], + "metadata": { + "cellView": "form", + "id": "0TNhcwok8d_w" + }, + "execution_count": null, + "outputs": [] + } + ], + "metadata": { + "colab": { + "name": "quickdemo_wAF2.ipynb", + "provenance": [], + "include_colab_link": true + }, + "kernelspec": { + "display_name": "Python 3", + "name": "python3" + }, + "language_info": { + "name": "python" + }, + "accelerator": "GPU", + "gpuClass": "standard" + }, + "nbformat": 4, + "nbformat_minor": 0 +} \ No newline at end of file diff --git a/ProteinMPNN/examples/submit_example_1.sh b/ProteinMPNN/examples/submit_example_1.sh new file mode 100644 index 0000000000000000000000000000000000000000..1581ac48cd86a7a5f0e5e8c16c76e178c37a7e2e --- /dev/null +++ b/ProteinMPNN/examples/submit_example_1.sh @@ -0,0 +1,28 @@ +#!/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="../inputs/PDB_monomers/pdbs/" + +output_dir="../outputs/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" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_2.sh b/ProteinMPNN/examples/submit_example_2.sh new file mode 100644 index 0000000000000000000000000000000000000000..bf4a4f5960deb884d447281de1a93b6eb27fef31 --- /dev/null +++ b/ProteinMPNN/examples/submit_example_2.sh @@ -0,0 +1,34 @@ +#!/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="../inputs/PDB_complexes/pdbs/" + +output_dir="../outputs/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" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_3.sh b/ProteinMPNN/examples/submit_example_3.sh new file mode 100644 index 0000000000000000000000000000000000000000..d4b72ee61d9eb3d3ea5e983afae797c34ed847ff --- /dev/null +++ b/ProteinMPNN/examples/submit_example_3.sh @@ -0,0 +1,27 @@ +#!/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="../inputs/PDB_complexes/pdbs/3HTN.pdb" + +output_dir="../outputs/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" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_3_score_only.sh b/ProteinMPNN/examples/submit_example_3_score_only.sh new file mode 100644 index 0000000000000000000000000000000000000000..e1eec48598220f07fb1198ba9499f172dbc96dd3 --- /dev/null +++ b/ProteinMPNN/examples/submit_example_3_score_only.sh @@ -0,0 +1,28 @@ +#!/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="../inputs/PDB_complexes/pdbs/3HTN.pdb" + +output_dir="../outputs/example_3_score_only_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 10 \ + --sampling_temp "0.1" \ + --score_only 1 \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_3_score_only_from_fasta.sh b/ProteinMPNN/examples/submit_example_3_score_only_from_fasta.sh new file mode 100644 index 0000000000000000000000000000000000000000..f7b72d86043dc597f6feb11730260a92d334af3d --- /dev/null +++ b/ProteinMPNN/examples/submit_example_3_score_only_from_fasta.sh @@ -0,0 +1,30 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_3_from_fasta.out + +source activate mlfold + +path_to_PDB="../inputs/PDB_complexes/pdbs/3HTN.pdb" +path_to_fasta="/home/justas/projects/github/ProteinMPNN/outputs/example_3_outputs/seqs/3HTN.fa" + +output_dir="../outputs/example_3_score_only_from_fasta_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +chains_to_design="A B" + +python ../protein_mpnn_run.py \ + --path_to_fasta $path_to_fasta \ + --pdb_path $path_to_PDB \ + --pdb_path_chains "$chains_to_design" \ + --out_folder $output_dir \ + --num_seq_per_target 5 \ + --sampling_temp "0.1" \ + --score_only 1 \ + --seed 13 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_4.sh b/ProteinMPNN/examples/submit_example_4.sh new file mode 100644 index 0000000000000000000000000000000000000000..d7f19345304df1e27094e781ee6de47764ba11ea --- /dev/null +++ b/ProteinMPNN/examples/submit_example_4.sh @@ -0,0 +1,40 @@ +#!/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="../inputs/PDB_complexes/pdbs/" + +output_dir="../outputs/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" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_4_non_fixed.sh b/ProteinMPNN/examples/submit_example_4_non_fixed.sh new file mode 100644 index 0000000000000000000000000000000000000000..77b27f0e635b83fccddcf9df65b085d5accf0782 --- /dev/null +++ b/ProteinMPNN/examples/submit_example_4_non_fixed.sh @@ -0,0 +1,40 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_4_non_fixed.out + +source activate mlfold + +folder_with_pdbs="../inputs/PDB_complexes/pdbs/" + +output_dir="../outputs/example_4_non_fixed_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. +design_only_positions="1 2 3 4 5 6 7 8 9 10, 3 4 5 6 7 8" #design only these residues; use flag --specify_non_fixed + +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 "$design_only_positions" --specify_non_fixed + +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" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_5.sh b/ProteinMPNN/examples/submit_example_5.sh new file mode 100644 index 0000000000000000000000000000000000000000..a15fc686ccbf1a94395665340748547a23e333ef --- /dev/null +++ b/ProteinMPNN/examples/submit_example_5.sh @@ -0,0 +1,44 @@ +#!/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="../inputs/PDB_complexes/pdbs/" + +output_dir="../outputs/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" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_6.sh b/ProteinMPNN/examples/submit_example_6.sh new file mode 100644 index 0000000000000000000000000000000000000000..e7580e271bbb7c8c61f557d5e16ad632111564bf --- /dev/null +++ b/ProteinMPNN/examples/submit_example_6.sh @@ -0,0 +1,34 @@ +#!/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="../inputs/PDB_homooligomers/pdbs/" + +output_dir="../outputs/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" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_7.sh b/ProteinMPNN/examples/submit_example_7.sh new file mode 100644 index 0000000000000000000000000000000000000000..bc4501e54285cf726a55907da472532244223e11 --- /dev/null +++ b/ProteinMPNN/examples/submit_example_7.sh @@ -0,0 +1,29 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 2 +#SBATCH --output=example_7.out + +source activate mlfold + +folder_with_pdbs="../inputs/PDB_monomers/pdbs/" + +output_dir="../outputs/example_7_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 1 \ + --sampling_temp "0.1" \ + --unconditional_probs_only 1 \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_8.sh b/ProteinMPNN/examples/submit_example_8.sh new file mode 100644 index 0000000000000000000000000000000000000000..1bc5c2d11d778f5c1009050c32101d4339cdac85 --- /dev/null +++ b/ProteinMPNN/examples/submit_example_8.sh @@ -0,0 +1,34 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 2 +#SBATCH --output=example_8.out + +source activate mlfold + +folder_with_pdbs="../inputs/PDB_monomers/pdbs/" + +output_dir="../outputs/example_8_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +path_for_bias=$output_dir"/bias_pdbs.jsonl" +#Adding global polar amino acid bias (Doug Tischer) +AA_list="D E H K N Q R S T W Y" +bias_list="1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.39" +python ../helper_scripts/make_bias_AA.py --output_path=$path_for_bias --AA_list="$AA_list" --bias_list="$bias_list" + +path_for_parsed_chains=$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 \ + --bias_AA_jsonl $path_for_bias \ + --num_seq_per_target 2 \ + --sampling_temp "0.1" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/examples/submit_example_pssm.sh b/ProteinMPNN/examples/submit_example_pssm.sh new file mode 100644 index 0000000000000000000000000000000000000000..06c5ac80a02daf45705f357be25e9fa416e3dd8d --- /dev/null +++ b/ProteinMPNN/examples/submit_example_pssm.sh @@ -0,0 +1,49 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 2 +#SBATCH --output=example_2.out + +source activate mlfold + + +#new_probabilities_using_PSSM = (1-pssm_multi*pssm_coef_gathered[:,None])*probs + pssm_multi*pssm_coef_gathered[:,None]*pssm_bias_gathered +#probs - predictions from MPNN +#pssm_bias_gathered - input PSSM bias (needs to be a probability distribution) +#pssm_multi - a number between 0.0 (no bias) and 1.0 (no MPNN) inputed via flag --pssm_multi; this is a global number equally applied to all the residues +#pssm_coef_gathered - a number between 0.0 (no bias) and 1.0 (no MPNN) inputed via ../helper_scripts/make_pssm_input_dict.py can be adjusted per residue level; i.e only apply PSSM bias to specific residues; or chains + + + +pssm_input_path="../inputs/PSSM_inputs" +folder_with_pdbs="../inputs/PDB_complexes/pdbs/" + +output_dir="../outputs/example_pssm_outputs" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl" +path_for_assigned_chains=$output_dir"/assigned_pdbs.jsonl" +pssm=$output_dir"/pssm.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 "$chains_to_design" + +python ../helper_scripts/make_pssm_input_dict.py --jsonl_input_path=$path_for_parsed_chains --PSSM_input_path=$pssm_input_path --output_path=$pssm + +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" \ + --seed 37 \ + --batch_size 1 \ + --pssm_jsonl $pssm \ + --pssm_multi 0.3 \ + --pssm_bias_flag 1 diff --git a/ProteinMPNN/helper_scripts/assign_fixed_chains.py b/ProteinMPNN/helper_scripts/assign_fixed_chains.py new file mode 100644 index 0000000000000000000000000000000000000000..0dcf7b688d177d6c83129d4e1e44c75cd254f44a --- /dev/null +++ b/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/helper_scripts/make_bias_AA.py b/ProteinMPNN/helper_scripts/make_bias_AA.py new file mode 100644 index 0000000000000000000000000000000000000000..b32fb6b69dd4754d2ebef4c3baf5d81b6573d5a2 --- /dev/null +++ b/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/helper_scripts/make_bias_per_res_dict.py b/ProteinMPNN/helper_scripts/make_bias_per_res_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..bae8425ee4d9c702e636f5efe0558b5bcf378c1e --- /dev/null +++ b/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/helper_scripts/make_fixed_positions_dict.py b/ProteinMPNN/helper_scripts/make_fixed_positions_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..176a24f716e868edaa8ac3cf74df63053e6d265c --- /dev/null +++ b/ProteinMPNN/helper_scripts/make_fixed_positions_dict.py @@ -0,0 +1,59 @@ +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 = {} + + if not args.specify_non_fixed: + 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 + else: + 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 chain in all_chain_list: + seq_length = len(result[f'seq_chain_{chain}']) + all_residue_list = (np.arange(seq_length)+1).tolist() + if chain not in global_designed_chain_list: + fixed_position_dict[chain] = all_residue_list + else: + idx = np.argwhere(np.array(global_designed_chain_list) == chain)[0][0] + fixed_position_dict[chain] = list(set(all_residue_list)-set(fixed_list[idx])) + 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") + argparser.add_argument("--specify_non_fixed", action="store_true", default=False, help="Allows specifying just residues that need to be designed (default: false)") + + args = argparser.parse_args() + main(args) + diff --git a/ProteinMPNN/helper_scripts/make_pos_neg_tied_positions_dict.py b/ProteinMPNN/helper_scripts/make_pos_neg_tied_positions_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..2fb0c51227e09b47c475b8b8d7182901924168ec --- /dev/null +++ b/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/helper_scripts/make_pssm_input_dict.py b/ProteinMPNN/helper_scripts/make_pssm_input_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..3eea72dbf9ece48a3000d3ab98e6896332940fbb --- /dev/null +++ b/ProteinMPNN/helper_scripts/make_pssm_input_dict.py @@ -0,0 +1,36 @@ +import argparse + +def main(args): + import json + import numpy as np + with open(args.jsonl_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[:9]=='seq_chain'] + path_to_PSSM = args.PSSM_input_path+"/"+result['name'] + ".npz" + print(path_to_PSSM) + pssm_input = np.load(path_to_PSSM) + pssm_dict = {} + for chain in all_chain_list: + pssm_dict[chain] = {} + pssm_dict[chain]['pssm_coef'] = pssm_input[chain+'_coef'].tolist() #[L] per position coefficient to trust PSSM; 0.0 - do not use it; 1.0 - just use PSSM only + pssm_dict[chain]['pssm_bias'] = pssm_input[chain+'_bias'].tolist() #[L,21] probability (sums up to 1.0 over alphabet of size 21) from PSSM + pssm_dict[chain]['pssm_log_odds'] = pssm_input[chain+'_odds'].tolist() #[L,21] log_odds ratios coming from PSSM; optional/not needed + my_dict[result['name']] = pssm_dict + + #Write output to: + 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("--PSSM_input_path", type=str, help="Path to PSSMs saved as npz files.") + argparser.add_argument("--jsonl_input_path", type=str, help="Path where to load .jsonl dictionary of parsed pdbs.") + argparser.add_argument("--output_path", type=str, help="Path where to save .jsonl dictionary with PSSM bias.") + + args = argparser.parse_args() + main(args) diff --git a/ProteinMPNN/helper_scripts/make_tied_positions_dict.py b/ProteinMPNN/helper_scripts/make_tied_positions_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..7691da66757f6acfcaf75bea096343c50057c595 --- /dev/null +++ b/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/helper_scripts/other_tools/make_omit_AA.py b/ProteinMPNN/helper_scripts/other_tools/make_omit_AA.py new file mode 100644 index 0000000000000000000000000000000000000000..353a74bcf0ec1c0238a32b17a001d15591d18243 --- /dev/null +++ b/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/helper_scripts/other_tools/make_pssm_dict.py b/ProteinMPNN/helper_scripts/other_tools/make_pssm_dict.py new file mode 100644 index 0000000000000000000000000000000000000000..c6cf83df6febb2ac9e12da3e127dbc9a7ea08d7f --- /dev/null +++ b/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/helper_scripts/parse_multiple_chains.out b/ProteinMPNN/helper_scripts/parse_multiple_chains.out new file mode 100644 index 0000000000000000000000000000000000000000..041440f0f4d6ff717535566bb773d3f1a10ba35d --- /dev/null +++ b/ProteinMPNN/helper_scripts/parse_multiple_chains.out @@ -0,0 +1 @@ +Successfully finished: 2 pdbs diff --git a/ProteinMPNN/helper_scripts/parse_multiple_chains.py b/ProteinMPNN/helper_scripts/parse_multiple_chains.py new file mode 100644 index 0000000000000000000000000000000000000000..d2987781a74756f79768873d9e7cd2b45a03da08 --- /dev/null +++ b/ProteinMPNN/helper_scripts/parse_multiple_chains.py @@ -0,0 +1,163 @@ +import argparse + +def main(args): + + import numpy as np + import os, time, gzip, json + import glob + + folder_with_pdbs_path = args.input_path + save_path = args.output_path + ca_only = args.ca_only + + 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: + if ca_only: + sidechain_atoms = ['CA'] + else: + sidechain_atoms = ['N', 'CA', 'C', 'O'] + xyz, seq = parse_PDB_biounits(biounit, atoms=sidechain_atoms, chain=letter) + if type(xyz) != str: + concat_seq += seq[0] + my_dict['seq_chain_'+letter]=seq[0] + coords_dict_chain = {} + if ca_only: + coords_dict_chain['CA_chain_'+letter]=xyz.tolist() + else: + 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") + argparser.add_argument("--ca_only", action="store_true", default=False, help="parse a backbone-only structure (default: false)") + + args = argparser.parse_args() + main(args) diff --git a/ProteinMPNN/helper_scripts/parse_multiple_chains.sh b/ProteinMPNN/helper_scripts/parse_multiple_chains.sh new file mode 100644 index 0000000000000000000000000000000000000000..c2a8a108b05cc9f81c636b3b48bf58ddb4ce1a02 --- /dev/null +++ b/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/inputs/PDB_complexes/pdbs/3HTN.pdb b/ProteinMPNN/inputs/PDB_complexes/pdbs/3HTN.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b303f9a5084319e4911d8b84e9493007f2640e66 --- /dev/null +++ b/ProteinMPNN/inputs/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/inputs/PDB_complexes/pdbs/4YOW.pdb b/ProteinMPNN/inputs/PDB_complexes/pdbs/4YOW.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cb4b88cc84ce01e76e23fcf9c43749e35494b4cb --- /dev/null +++ b/ProteinMPNN/inputs/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/inputs/PDB_homooligomers/pdbs/4GYT.pdb b/ProteinMPNN/inputs/PDB_homooligomers/pdbs/4GYT.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c08ca22497a49aca7a4b7af113ae744af1c7da7d --- /dev/null +++ b/ProteinMPNN/inputs/PDB_homooligomers/pdbs/4GYT.pdb @@ -0,0 +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/inputs/PDB_homooligomers/pdbs/6EHB.pdb b/ProteinMPNN/inputs/PDB_homooligomers/pdbs/6EHB.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c6bb114c973908fd9ad502e41ece209e3a8478be --- /dev/null +++ b/ProteinMPNN/inputs/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/inputs/PDB_monomers/pdbs/5L33.pdb b/ProteinMPNN/inputs/PDB_monomers/pdbs/5L33.pdb new file mode 100644 index 0000000000000000000000000000000000000000..feae6262e619d563f677c64f3c7fe2ada3f00f43 --- /dev/null +++ b/ProteinMPNN/inputs/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/inputs/PDB_monomers/pdbs/6MRR.pdb b/ProteinMPNN/inputs/PDB_monomers/pdbs/6MRR.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2328ab86d7f27ae9bf5774ffe915c0b0d44ee0a8 --- /dev/null +++ b/ProteinMPNN/inputs/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/inputs/PSSM_inputs/3HTN.npz b/ProteinMPNN/inputs/PSSM_inputs/3HTN.npz new file mode 100644 index 0000000000000000000000000000000000000000..e951df30e9e838149e7fc22f1658cf89327b5632 Binary files /dev/null and b/ProteinMPNN/inputs/PSSM_inputs/3HTN.npz differ diff --git a/ProteinMPNN/inputs/PSSM_inputs/4YOW.npz b/ProteinMPNN/inputs/PSSM_inputs/4YOW.npz new file mode 100644 index 0000000000000000000000000000000000000000..16a2dc135f697170f98d35817b383f090099e9ab Binary files /dev/null and b/ProteinMPNN/inputs/PSSM_inputs/4YOW.npz differ diff --git a/ProteinMPNN/outputs/example_1_outputs/parsed_pdbs.jsonl b/ProteinMPNN/outputs/example_1_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..ee9636fb192f2a8ab8f6cd4b691e43f516d52a53 --- /dev/null +++ b/ProteinMPNN/outputs/example_1_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": 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[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/outputs/example_1_outputs/seqs/5L33.fa b/ProteinMPNN/outputs/example_1_outputs/seqs/5L33.fa new file mode 100644 index 0000000000000000000000000000000000000000..8bc65f2623a400091c2ef52d4fc6e991a6ac4ac6 --- /dev/null +++ b/ProteinMPNN/outputs/example_1_outputs/seqs/5L33.fa @@ -0,0 +1,6 @@ +>5L33, score=1.5874, global_score=1.5874, fixed_chains=[], designed_chains=['A'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +HMPEEEKAARLFIEALEKGDPELMRKVISPDTRMEDNGREFTGDEVVEYVKEIQKRGEQWHLRRYTKEGNSWRFEVQVDNNGQTEQWEVQIEVRNGRIKRVTITHV +>T=0.1, sample=1, score=0.8221, global_score=0.8221, seq_recovery=0.5094 +MINEEEKKALDFIEALEKADPELMKKVIEPDTKMEVNGKKYEGEEIVEFVKKLKEEGVKYKLLSYKKEGNKYVFEVEKSKNGVTKKITIEIEVENGKVKKIVITEK +>T=0.1, sample=2, score=0.8356, global_score=0.8356, seq_recovery=0.4434 +SINEEEQKALDYIKALEKADPELMKKVITPDTKMTVNGKEYEGEEIVEYVKELKERGIKYKLLSYKKEGDKYVFTVERSENGKTYTITIEVKVKDGKVEEIVIKEE diff --git a/ProteinMPNN/outputs/example_1_outputs/seqs/6MRR.fa b/ProteinMPNN/outputs/example_1_outputs/seqs/6MRR.fa new file mode 100644 index 0000000000000000000000000000000000000000..e07e5e6f311565cba7a86e9de4179c82156d4c73 --- /dev/null +++ b/ProteinMPNN/outputs/example_1_outputs/seqs/6MRR.fa @@ -0,0 +1,6 @@ +>6MRR, score=1.4683, global_score=1.4683, fixed_chains=[], designed_chains=['A'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +GWSTELEKHREELKEFLKKEGITNVEIRIDNGRLEVRVEGGTERLKRFLEELRQKLEKKGYTVDIKIE +>T=0.1, sample=1, score=0.9617, global_score=0.9617, seq_recovery=0.5000 +GMDEELEKYVKELKAFLKEKGINNVEIKIENGTLTIKMNGASKETREFLEKLKKELEEKGYKVNIEIS +>T=0.1, sample=2, score=0.9513, global_score=0.9513, seq_recovery=0.4853 +GKDEELEKYVKELKKFLKEKGINNVKIEVKDGTLTIEMKGCSKETKDFLKKLKKELEKKGYKVNIKIY diff --git a/ProteinMPNN/outputs/example_2_outputs/assigned_pdbs.jsonl b/ProteinMPNN/outputs/example_2_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..9ad4b7426d9172ba8edbb10dca0c62696b0a3109 --- /dev/null +++ b/ProteinMPNN/outputs/example_2_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"3HTN": [["A", "B"], ["C"]], "4YOW": [["A", "B"], ["C", "D", "E", "F"]]} diff --git a/ProteinMPNN/outputs/example_2_outputs/parsed_pdbs.jsonl b/ProteinMPNN/outputs/example_2_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..0fd9a0c8a12b9bb2106949fcceaa8bd1a0290b29 --- /dev/null +++ b/ProteinMPNN/outputs/example_2_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER", "coords_chain_A": {"N_chain_A": [[33.214, 24.542, 0.024], [30.113, 24.433, 1.633], [28.31, 23.252, 3.427], [27.385, 20.463, 5.57], [25.823, 17.27, 5.66], [23.21, 14.816, 6.423], [21.653, 12.016, 5.15], [18.4, 10.831, 5.533], [16.191, 8.64, 4.801], [13.687, 10.015, 2.867], [14.463, 12.566, 3.44], [16.893, 15.129, 4.225], [19.177, 16.146, 6.628], [20.525, 19.155, 6.997], [23.392, 20.89, 7.776], [24.502, 23.974, 7.76], [27.54, 25.651, 6.951], [29.302, 27.84, 9.171], [29.242, 31.421, 8.881], [28.344, 31.559, 6.27], [26.339, 32.234, 3.417], [23.059, 31.513, 3.596], [20.937, 30.998, 1.743], [22.158, 30.744, -0.774], [23.697, 28.483, -0.101], [21.684, 26.555, 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52.43, 2.316], [24.708, 56.409, -0.019], [29.058, 55.524, -1.83], [29.996, 59.883, -2.764], [31.301, 62.362, -6.119]]}, "seq_chain_F": "----", "coords_chain_F": {"N_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "CA_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "C_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "O_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]]}, "name": "4YOW", "num_of_chains": 6, "seq": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----"} diff --git a/ProteinMPNN/outputs/example_2_outputs/seqs/3HTN.fa b/ProteinMPNN/outputs/example_2_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..2289b1e77b610d0b0a2b542ac7a797eb362fedbe --- /dev/null +++ b/ProteinMPNN/outputs/example_2_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.4405, global_score=1.4946, fixed_chains=['C'], designed_chains=['A', 'B'], CA_model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKXXXXDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=1, score=0.8450, global_score=1.0949, seq_recovery=0.5071 +KLYSYKEIGNKYIVSINVGTDLVEALKKFCEEKNIKSGTINGIGEVSKLTLKFYDFETKETELKTFEGNFTISNLTGLIYTYNGKIFLHLHVTFGDEDFSALAGHLVSATVLQEALLKVENYNENITAKFDEKLGLYLLDFNS/MSYKYKKIGNKYLVSINIGKDLVESLKEFVKEKNIKSGTINGIGGVSEVTLRFFDPEXXXXKERTFKGLFDISNLTGFISTKDGEPFLHLHATFGDEDFSALAGHLVSAKVSTGAELLVENYNVELTRKYDEKLGVYLLDFNA +>T=0.1, sample=2, score=0.8471, global_score=1.0996, seq_recovery=0.5000 +MLYDYKKIGNKYFVKVNVDQDLVEALKEFCEELGIKSGTINGIGEVSEVTLRFFDFETKESVDKTFKEPFTISNLTGLISTYNGKIHLHLHITFSDKEFSALAGHLVSAKVLQEALLIVEDYGENITRKYDKETGLLLLDFNS/MLYKYKKIGNKYLIEINIGKDLVEALKEFVEEKNIKAGTINGIGMVEEVTLEYYDPKXXXXEKKTFEGLFEISNLTGFIYTKDGKPVLHLHVTFGDEDFSALAGHLVSAKVLGEAELLVEDYNVELTVKYDEERGEDLLDFNS diff --git a/ProteinMPNN/outputs/example_2_outputs/seqs/4YOW.fa b/ProteinMPNN/outputs/example_2_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..bd920d4b1290f5bf8a1c9cd78f5cb8dc7ab3477e --- /dev/null +++ b/ProteinMPNN/outputs/example_2_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.3574, global_score=1.3913, fixed_chains=['C', 'D', 'E', 'F'], designed_chains=['A', 'B'], CA_model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/XXXX +>T=0.1, sample=1, score=0.8241, global_score=1.2059, seq_recovery=0.5154 +MKIVASDAGGYLLDEELKPIGRIAVVAVLVEKPFTSAKEYKVEYLDPEKYNLEGNDDLIKEFELAVELAKKYKPDVILLDLNLGGVELSELNPEVIEKLQISEETKEFLIKLSEILSPKAKEFKKETGIPILLAGGNSTAVKIAELLASAAAVKWALENVKEKGKLLIGLERAVEIEIEEDKIRARDLDPRYGGLYAEIDIKIPEGLKYEQYPNPFKPGEMVFEIEK/XXXX +>T=0.1, sample=2, score=0.8195, global_score=1.2174, seq_recovery=0.5419 +MKIVAADAGGYLVDEDLKPIGRIAVVAVLVEKPFTSSKVYKVKYIDPEKADLNGNEDLRLELELAIELAKEYKPDIILLDLNLGGVELSELNEETIKKLQISEEAKKKLIELSKELSPLAKKFKEETGIPILLAGDNSVPVHIAEILASAEAVKWALENVKEKGEVKVLLHESVSIEIEEDKIKARSLDPRLGGLEAEIEIKIPEGIEYEQEPNPFRPHHMVFTAKV/XXXX diff --git a/ProteinMPNN/outputs/example_3_outputs/seqs/3HTN.fa b/ProteinMPNN/outputs/example_3_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..82ce5967f1dbf45c7a6e17cb7ed16dba29e43417 --- /dev/null +++ b/ProteinMPNN/outputs/example_3_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1550, global_score=1.1955, fixed_chains=['C'], designed_chains=['A', 'B'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKXXXXDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=1, score=0.7339, global_score=0.9189, seq_recovery=0.5390 +KLYDYEKIGNKYIVSIYNNTDIVKALKKFCEEKNIKSGTVNGIGQVKEVTLKFYNFETKESEEKTFKKNFTISNLTGFISEHDGKIFLDLHITFGDENFSALAGHLVSAIVNGECKLVIEDYKEKVSTKYDEELGLWLLDFNK/ETYKYKKIGNKYLVSINNGKDLVDSIKKFCKDKKIKSGTVNGIGSISKLTLEFFDPDXXXXKTKTLEKNLEISNLTGFISTKDGEVFLDLHITIGDENFSALAGHLISAIVNGIAELKIEDYNKEINVKYDEKLGLYLLDFNK +>T=0.1, sample=2, score=0.7064, global_score=0.9034, seq_recovery=0.5993 +HMYEYKKIGNKYIVSVKNNTELVEALKAFCEEKKIKSGTVNGIGQVKSVTLRFYDFKTKTSKDTTFNQNLEISNLTGFISEYNNKVFLDLHITFGDSNFSALAGHLLSAVVGGEAIFVVEDYKEKISRKYDEKLGLYLLDFNK/NMYKYKKIGNKYIVSINNGKNLVKALKKFCEDKNIKSGTINGIGMISKVTLYFFDPEXXXXTTKTFNELLEISNLTGFISEKNGKVFLHLHITIGDSNFSALAGHLIDAVVNGIAEVIVEDFNEKINVKYNEETGLWLLDFNK diff --git a/ProteinMPNN/outputs/example_3_score_only_outputs/score_only/3HTN.npz b/ProteinMPNN/outputs/example_3_score_only_outputs/score_only/3HTN.npz new file mode 100644 index 0000000000000000000000000000000000000000..458d1074e9dbbc26a24b4bab31b9a6ebc3ff1746 Binary files /dev/null and b/ProteinMPNN/outputs/example_3_score_only_outputs/score_only/3HTN.npz differ diff --git a/ProteinMPNN/outputs/example_3_score_only_outputs/score_only/3HTN_0.npz b/ProteinMPNN/outputs/example_3_score_only_outputs/score_only/3HTN_0.npz new file mode 100644 index 0000000000000000000000000000000000000000..460205e4b9d2432719a04f1a0f477d15bae84c26 Binary files /dev/null and b/ProteinMPNN/outputs/example_3_score_only_outputs/score_only/3HTN_0.npz differ diff --git a/ProteinMPNN/outputs/example_4_non_fixed_outputs/assigned_pdbs.jsonl b/ProteinMPNN/outputs/example_4_non_fixed_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..a33494d6ec0aa0d2c13702e7147f6525b0c9c291 --- /dev/null +++ b/ProteinMPNN/outputs/example_4_non_fixed_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"3HTN": [["A", "C"], ["B"]], "4YOW": [["A", "C"], ["B", "D", "E", "F"]]} diff --git a/ProteinMPNN/outputs/example_4_non_fixed_outputs/fixed_pdbs.jsonl b/ProteinMPNN/outputs/example_4_non_fixed_outputs/fixed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..c4183670729e6ef628a2f9d2072933a30ae6bf9d --- /dev/null +++ b/ProteinMPNN/outputs/example_4_non_fixed_outputs/fixed_pdbs.jsonl @@ -0,0 +1 @@ +{"3HTN": {"A": [11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 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], "B": [1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 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, 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0000000000000000000000000000000000000000..0fd9a0c8a12b9bb2106949fcceaa8bd1a0290b29 --- /dev/null +++ b/ProteinMPNN/outputs/example_4_non_fixed_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER", "coords_chain_A": {"N_chain_A": [[33.214, 24.542, 0.024], [30.113, 24.433, 1.633], [28.31, 23.252, 3.427], [27.385, 20.463, 5.57], [25.823, 17.27, 5.66], [23.21, 14.816, 6.423], [21.653, 12.016, 5.15], [18.4, 10.831, 5.533], [16.191, 8.64, 4.801], [13.687, 10.015, 2.867], [14.463, 12.566, 3.44], [16.893, 15.129, 4.225], [19.177, 16.146, 6.628], [20.525, 19.155, 6.997], [23.392, 20.89, 7.776], [24.502, 23.974, 7.76], [27.54, 25.651, 6.951], [29.302, 27.84, 9.171], [29.242, 31.421, 8.881], [28.344, 31.559, 6.27], [26.339, 32.234, 3.417], [23.059, 31.513, 3.596], [20.937, 30.998, 1.743], [22.158, 30.744, -0.774], [23.697, 28.483, -0.101], 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55.717, 1.252], [16.685, 55.642, 1.279], [17.451, 50.973, 2.03], [16.166, 48.444, -0.024], [15.282, 44.908, 1.602], [13.996, 42.39, -0.956], [15.84, 39.704, 2.024], [15.332, 43.986, 4.639], [13.383, 43.343, 7.085], [14.572, 46.805, 8.938], [16.499, 47.357, 4.707], [19.97, 48.981, 5.5], [20.528, 52.568, 2.559], [25.075, 52.43, 2.316], [24.708, 56.409, -0.019], [29.058, 55.524, -1.83], [29.996, 59.883, -2.764], [31.301, 62.362, -6.119]]}, "seq_chain_F": "----", "coords_chain_F": {"N_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "CA_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "C_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "O_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]]}, "name": "4YOW", "num_of_chains": 6, "seq": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----"} diff --git a/ProteinMPNN/outputs/example_4_non_fixed_outputs/seqs/3HTN.fa b/ProteinMPNN/outputs/example_4_non_fixed_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..ca35e9af63128015fcbf7a5355da153405ef019d --- /dev/null +++ b/ProteinMPNN/outputs/example_4_non_fixed_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=0.5942, global_score=1.1896, fixed_chains=['B'], designed_chains=['A', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=1, score=0.5653, global_score=1.1909, seq_recovery=0.8750 +MMYKYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=2, score=0.5568, global_score=1.2067, seq_recovery=0.8750 +SMYKYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER diff --git a/ProteinMPNN/outputs/example_4_non_fixed_outputs/seqs/4YOW.fa b/ProteinMPNN/outputs/example_4_non_fixed_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..e70d7ad8db2e3b0584ded073f618c63f1ecacb3f --- /dev/null +++ b/ProteinMPNN/outputs/example_4_non_fixed_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=0.5247, global_score=1.1455, fixed_chains=['B', 'D', 'E', 'F'], designed_chains=['A', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS +>T=0.1, sample=1, score=0.3316, global_score=1.1345, seq_recovery=0.9375 +MKIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS +>T=0.1, sample=2, score=0.3259, global_score=1.1368, seq_recovery=0.8750 +MKIVAADSGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS diff --git a/ProteinMPNN/outputs/example_4_outputs/assigned_pdbs.jsonl b/ProteinMPNN/outputs/example_4_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..a33494d6ec0aa0d2c13702e7147f6525b0c9c291 --- /dev/null +++ b/ProteinMPNN/outputs/example_4_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"3HTN": [["A", "C"], ["B"]], "4YOW": [["A", "C"], ["B", "D", "E", "F"]]} diff --git a/ProteinMPNN/outputs/example_4_outputs/fixed_pdbs.jsonl b/ProteinMPNN/outputs/example_4_outputs/fixed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..4290a3d066f25512084488e2888fdbb7d669fb2e --- /dev/null +++ b/ProteinMPNN/outputs/example_4_outputs/fixed_pdbs.jsonl @@ -0,0 +1 @@ +{"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": []}, "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": []}} diff --git a/ProteinMPNN/outputs/example_4_outputs/parsed_pdbs.jsonl b/ProteinMPNN/outputs/example_4_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..0fd9a0c8a12b9bb2106949fcceaa8bd1a0290b29 --- /dev/null +++ b/ProteinMPNN/outputs/example_4_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": 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"coords_chain_F": {"N_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "CA_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "C_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "O_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]]}, "name": "4YOW", "num_of_chains": 6, "seq": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----"} diff --git a/ProteinMPNN/outputs/example_4_outputs/seqs/3HTN.fa b/ProteinMPNN/outputs/example_4_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..50d1cdbd53bc035bc3fec21af75501be7f4dfb01 --- /dev/null +++ b/ProteinMPNN/outputs/example_4_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1677, global_score=1.2030, fixed_chains=['B'], designed_chains=['A', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=1, score=0.7079, global_score=0.9190, seq_recovery=0.5568 +NMYSYKKIGNKYIVSINNNTDLVTALKEFCKDKNIKSGSVNGIGQVGSVTLKFYNLETKEETLKTFNAPFEISNLTGFIAEHNNEVFLDLHITFGDSNFSALAGHLVSAVVNGIAELKIEDYKEKISTKYDEKLGLYLLDFEK/SMYSYKKIGNKYIVSINNHTDLVKAIEQFCKDKNIKSGTINGIGQVKEVTLEFFNPETKEKELKTFKKQFTISNLTGFISTKDGEVFLDLHITFGDENFSALAGHLVSAIVDGKCILEIEDFKEEVNVKYNEELGLYLLDFNK +>T=0.1, sample=2, score=0.7381, global_score=0.9362, seq_recovery=0.5530 +NMYSYKKIGNKYLVSINNNTELVEALKAFCEEKKIKSGSVNGIGQVKSVTLKFYDPETKTSTLKTFNQNFEISNLTGFISTHNGKVFLDLHITFGDSNFSALAGHLVSAVVNGIAEFKVEDYKTLISTKYDEKTGLYLLDFNS/NLYSYKKIGNKYIVSINNHTNIVKALKKFCEDKNIKSGTINGIGQVSSVTLKFRDIETKKEELKTFNENLTISNLTGFISTKNGKVFLDLHITFGDSNFSALAGHLIDAIVNGKAIIEIEDYNEEVNVKYDEELGLYLLDFNK diff --git a/ProteinMPNN/outputs/example_4_outputs/seqs/4YOW.fa b/ProteinMPNN/outputs/example_4_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..0c6b253d6ea1924a31d7e23052a157384545f4f7 --- /dev/null +++ b/ProteinMPNN/outputs/example_4_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.1321, global_score=1.1466, fixed_chains=['B', 'D', 'E', 'F'], designed_chains=['A', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS +>T=0.1, sample=1, score=0.7267, global_score=0.8846, seq_recovery=0.5949 +MRIVAADTGGYLLDENNKPIGPIATVAVLVEKPYRTSEVFKVRYHDPENYDLTGHQHIRDELELAIELAREVRPDLIHLDLDLGGVPLAELTPEVIDALPISPETKALLKELAKELTPLAQAFLAETGIPVLATGDRSVPVDIADIYASGAAVKYALEHVKERKGLRVGLEYATRVEIKEDKIIATSLDPRDGGLHAEIETEIPEGVTYELYPDPLRTGHLIFKITT/MKIVAADTGGAVLDESFQPVGLIATVAVLVEYPYRTSETFLVRYLDPYRYDLSSHEHLRHELELAIELARKVKPDLICLDLDLGGVPVAELDPATIAALPISPETRAALLELAKELAPLARAFEAETGIPVLAVGHRSVPVHIAHIYASGFAVKWALENVKEHKGLRVGLEYATSVEIEEDSIVVRSLDPRLGGLYGRVETEIPEGIEYELYPNPLRIGHMVFEVTV +>T=0.1, sample=2, score=0.7222, global_score=0.8839, seq_recovery=0.6111 +MRIVAADTGGYLLNENFEPIGPIATVAVLVEKPYRTSKVFLVRYLNPLNYDLSSHEGILEELELAIELARKVKPDLIHLDIDLGGVPVHELTPELIDKLQISPEMKEILKELAKTLTPLAQAFLAETGIPILAIGHRSVPVHIADIYASIAAVKWALENVKELKGLRVGLEYATSVEITENSIIGRSLDPRDGGLYGEIKTEIPEGIEYELYPNPLERGHLVFKVTV/MKIVAADTGGAVLDESFQPVGKIATVAVVVTYPYTTSDEFLVKYLDPYNYDLTSDDDILEELELAIELARKVNPDRIELDLDLGGVPVADLDDAVIDALQISEETKARLKELAKTLAPTAAAFKAETGIPILARGSASVPVHIADIYSSVAAVIWALKNVKEKKGLRVGLEYATRVEIKEDSVVGTSLDPRHGGLYQEIETEIPEGIEYELYPNPLEIGHMVFEVKV diff --git a/ProteinMPNN/outputs/example_5_outputs/assigned_pdbs.jsonl b/ProteinMPNN/outputs/example_5_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..a33494d6ec0aa0d2c13702e7147f6525b0c9c291 --- /dev/null +++ b/ProteinMPNN/outputs/example_5_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"3HTN": [["A", "C"], ["B"]], "4YOW": [["A", "C"], ["B", "D", "E", "F"]]} diff --git a/ProteinMPNN/outputs/example_5_outputs/fixed_pdbs.jsonl b/ProteinMPNN/outputs/example_5_outputs/fixed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..4526854ce12840a53442c043c0e3efabc6c9c288 --- /dev/null +++ b/ProteinMPNN/outputs/example_5_outputs/fixed_pdbs.jsonl @@ -0,0 +1 @@ +{"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": []}, "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": []}} diff --git a/ProteinMPNN/outputs/example_5_outputs/parsed_pdbs.jsonl b/ProteinMPNN/outputs/example_5_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..0fd9a0c8a12b9bb2106949fcceaa8bd1a0290b29 --- /dev/null +++ b/ProteinMPNN/outputs/example_5_outputs/parsed_pdbs.jsonl @@ -0,0 +1,2 @@ +{"seq_chain_A": "NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER", "coords_chain_A": {"N_chain_A": [[33.214, 24.542, 0.024], [30.113, 24.433, 1.633], [28.31, 23.252, 3.427], [27.385, 20.463, 5.57], [25.823, 17.27, 5.66], [23.21, 14.816, 6.423], [21.653, 12.016, 5.15], [18.4, 10.831, 5.533], [16.191, 8.64, 4.801], [13.687, 10.015, 2.867], [14.463, 12.566, 3.44], [16.893, 15.129, 4.225], [19.177, 16.146, 6.628], [20.525, 19.155, 6.997], [23.392, 20.89, 7.776], [24.502, 23.974, 7.76], [27.54, 25.651, 6.951], [29.302, 27.84, 9.171], [29.242, 31.421, 8.881], [28.344, 31.559, 6.27], [26.339, 32.234, 3.417], [23.059, 31.513, 3.596], [20.937, 30.998, 1.743], [22.158, 30.744, -0.774], [23.697, 28.483, -0.101], [21.684, 26.555, 0.448], [20.465, 26.427, -2.08], [22.611, 25.395, -3.566], [22.91, 22.902, -2.297], [20.449, 21.581, -2.976], [20.748, 21.56, -5.724], [23.085, 19.962, -5.955], [22.06, 17.514, -4.994], 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"coords_chain_F": {"N_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "CA_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "C_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]], "O_chain_F": [[NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN], [NaN, NaN, NaN]]}, "name": "4YOW", "num_of_chains": 6, "seq": "MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS----"} diff --git a/ProteinMPNN/outputs/example_5_outputs/seqs/3HTN.fa b/ProteinMPNN/outputs/example_5_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..93a2abfa7c62cfaa0dc86752af4daddd55406f85 --- /dev/null +++ b/ProteinMPNN/outputs/example_5_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1705, global_score=1.2045, fixed_chains=['B'], designed_chains=['A', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=1, score=0.7291, global_score=0.9330, seq_recovery=0.5736 +NMYSYKKIGNKYIVSINNHTEIVKALKKFCEEKNIKSGSVNGIGSIGSVTLKFYNLETKEEELKTFNANFEISNLTGFISMHDNKVFLDLHITIGDENFSALAGHLVSAVVNGTCELIVEDFNELVSTKYNEELGLWLLDFEK/NMYSYKKIGNKYIVSINNHTDIVTAIKKFCEDKKIKSGTINGIGQVKEVTLEFRNFETGEKEEKTFKKQFTISNLTGFISTKDGKVFLDLHITFGDENFSALAGHLISAIVDGKCELIIEDYNEEINVKYNEELGLYLLDFNK +>T=0.1, sample=2, score=0.7414, global_score=0.9355, seq_recovery=0.6075 +NMYKYKKIGNKYIVSINNHTEIVKAIKEFCKEKNIKSGTINGIGQVGKVTLRFYNPETKEYTEKTFNDNFEISNLTGFISTYKNEVFLHLHITFGKSDFSALAGHLLSAIVNGICELIVEDFKENLSMKYDEKTGLYLLDFEK/NMYKYKKIGNKYVVSINNHTEIVEALKAFCEDKKIKSGTVNGIGQVSKVTLKFFNIETKESKEKTFNKNFEISNLTGFISEINGEVFLHLHITIGDENFSALAGHLLSAVVNGEAILIVEDYKEKVNRKYNEELGLNLLDFNL diff --git a/ProteinMPNN/outputs/example_5_outputs/seqs/4YOW.fa b/ProteinMPNN/outputs/example_5_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..4cb610a989c9b303b95756ba66d31596beb4925e --- /dev/null +++ b/ProteinMPNN/outputs/example_5_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.1138, global_score=1.1398, fixed_chains=['B', 'D', 'E', 'F'], designed_chains=['A', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS +>T=0.1, sample=1, score=0.7117, global_score=0.8933, seq_recovery=0.6120 +MKIVAADTGGAVLDESFQPVGLIATVAVLVEKPYRTSKVFKVRYLDPYNYDLSSHEHILHELELAIELAKEVKPDLIHLDLDCGGVPLAEMTPEVIEKLQISPETKETLKELAKTLTPLAQAFLAETGIPILLTGDRSVPVHIAHIAASVCAVKWALEHVKERGGLRVGLERATSVEIGEDKIVGRSLDPRDGGLHFEVKTKVPEGIEYRLYPNPLRRGHMVFEVTV/MKIVAADTGGALLDENYQPVGLIATVAVVVEYPYTTSKEYLVKYHDPLNYDLSSDDWLRDEVKLAIELAEKVKPDLIHLDLDLGGVPLRELTPEVIDALQISEETKERLKKLAEELAPLAQAFYEKTGIPILAIGSASVPVRIADIAAGAYAVKWALENVKERKGLRVGLPYATAVEIEEKSIKATSLDPRDGGLHFEVEVEVPEGIEYELYPNPLRIGHMVFEVRV +>T=0.1, sample=2, score=0.6991, global_score=0.8740, seq_recovery=0.5866 +MKIVAADTGGAVLDESFQPVGLIATVAVLVEKPYRTSDTFLVRYLDPYAYDLTGHDGIRHELELAIELAEKVKPDLIHLDLDLGGVPLAELDPATIAALPISAETKALLTELAKELTPLAQAFLAKTGIPVLCIGDRSVPVHIADIAASAEAVKWALEHVKERGGLRVGLEYATRVEIKEDSIVATSLDPRDGGLYFEVETEIPEGVEYRLYPNPLRTGHLVFEITV/MKIVAADTGGALLDENYQPVGLIATVAVLVTYPYRTSDEFLVEYLDPLAYDLSSDEHLRRELRLAIELARRVRPDLIHLDLDLGGVPLAELTPEVIDALQISPEVRARLKALAAELAPLARAFEAETGIPVLATGHRSVAVHIAHIYASGAAVKWALEHVKERKGLRVGLEHSTRVEIKEDKIVVTSLDPRHGGLYQEIKTKVPEGIEYELYPNPLRIGHMIFEVTV diff --git a/ProteinMPNN/outputs/example_5_outputs/tied_pdbs.jsonl b/ProteinMPNN/outputs/example_5_outputs/tied_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..d910b502e0295db26d817cede48d0e7c9247ac3b --- /dev/null +++ b/ProteinMPNN/outputs/example_5_outputs/tied_pdbs.jsonl @@ -0,0 +1 @@ +{"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]}], "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]}]} diff --git a/ProteinMPNN/outputs/example_6_outputs/parsed_pdbs.jsonl b/ProteinMPNN/outputs/example_6_outputs/parsed_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..d1ae435f21d58453375ab81fbaa7330908d746f1 --- /dev/null +++ b/ProteinMPNN/outputs/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, 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-2.875, 9.232], [33.469, -3.706, 8.76], [33.637, -6.251, 11.667], [31.177, -7.086, 8.67], [30.848, -11.07, 9.641], [31.812, -13.294, 7.316], [28.01, -13.818, 10.152], [26.658, -15.27, 13.392], [27.682, -12.877, 15.578], [26.063, -10.096, 13.309], [22.978, -11.862, 12.964], [22.897, -12.254, 16.8], [23.33, -8.983, 17.296], [20.681, -7.924, 15.313], [18.331, -9.973, 16.63], [18.916, -8.9, 20.005], [18.4, -5.245, 18.931], [15.403, -6.097, 17.526], [14.136, -7.663, 20.416], [14.822, -5.231, 22.413], [13.165, -2.965, 20.596], [10.148, -4.39, 20.385], [9.995, -4.546, 23.891], [10.932, -1.39, 24.803], [8.357, 0.001, 23.256], [6.158, -1.707, 25.421], [7.871, -0.526, 28.428], [7.439, 2.79, 27.378], [4.099, 2.539, 26.957], [3.42, 1.247, 30.109], [4.925, 3.799, 31.67], [2.957, 6.158, 30.139], [-0.218, 4.63, 30.633], [0.875, 2.989, 34.566], [2.139, 7.691, 34.707], [0.029, 8.454, 29.94]]}, "name": "4GYT", "num_of_chains": 2, "seq": "SLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHESLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHE"} diff --git a/ProteinMPNN/outputs/example_6_outputs/seqs/4GYT.fa b/ProteinMPNN/outputs/example_6_outputs/seqs/4GYT.fa new file mode 100644 index 0000000000000000000000000000000000000000..9cf63a7a8476e005fb41c72b778755ebb244a0b6 --- /dev/null +++ b/ProteinMPNN/outputs/example_6_outputs/seqs/4GYT.fa @@ -0,0 +1,6 @@ +>4GYT, score=1.6904, global_score=1.6904, fixed_chains=[], designed_chains=['A', 'B'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +SLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHE/SLHLPKYDDFVQSISVLALTMSGSELHGIMCGYLCAGADSQGEAYIRALLNNKKDEQSRNALLSMFSVFSISQQQMNNFDFEFEMLLPDDDESLVTRAQAFSEWCEGFTQGLTIAGVGMEQFYEEESQDALQHLMEFAELDCESLEVGEEDERALMEVSEYTRMAVLRLHSDLVLHE +>T=0.2, sample=1, score=0.9290, global_score=0.9290, seq_recovery=0.4237 +SLKLPPYEEFEESIKVLNLPISASELAGLILGFLVAGKVEEGRAFLRSLLEGRTDEESQAALEALLKLFDILYKQLTDPDLELELLLPPEDKSLKEQARALSEFCRGFVLGLELAGVDESSFKLEESKEAYRKIKEWAKMDPSKLKEGEEDRKKLKEIKEWIRESILLIHKDLRENK/SLKLPPYEEFEESIKVLNLPISASELAGLILGFLVAGKVEEGRAFLRSLLEGRTDEESQAALEALLKLFDILYKQLTDPDLELELLLPPEDKSLKEQARALSEFCRGFVLGLELAGVDESSFKLEESKEAYRKIKEWAKMDPSKLKEGEEDRKKLKEIKEWIRESILLIHKDLRENK +>T=0.2, sample=2, score=0.9137, global_score=0.9137, seq_recovery=0.4746 +GLSLPPYEDFEAAIAPLQLPVSASELHGLMLGYLAAGKTEQGRAFLESLLNGRTDAASQAALEALLEVFDISEAQLNNPALELELLLPPKDKSLKTRCKAFSEFCAGFVKGLELAGVTEESFKTEESKEAYKRIKELAKLDCSTFKEGPEDEARLEELIEWTREAILEIRRDIKEHG/GLSLPPYEDFEAAIAPLQLPVSASELHGLMLGYLAAGKTEQGRAFLESLLNGRTDAASQAALEALLEVFDISEAQLNNPALELELLLPPKDKSLKTRCKAFSEFCAGFVKGLELAGVTEESFKTEESKEAYKRIKELAKLDCSTFKEGPEDEARLEELIEWTREAILEIRRDIKEHG diff --git a/ProteinMPNN/outputs/example_6_outputs/seqs/6EHB.fa b/ProteinMPNN/outputs/example_6_outputs/seqs/6EHB.fa new file mode 100644 index 0000000000000000000000000000000000000000..cc18aa803c0ae24d28fe60b3865df947aa9b87dc --- /dev/null +++ b/ProteinMPNN/outputs/example_6_outputs/seqs/6EHB.fa @@ -0,0 +1,6 @@ +>6EHB, score=1.3603, global_score=1.3603, fixed_chains=[], designed_chains=['A', 'B', 'C'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +DGINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLGKAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTYGKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVKASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVGAGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYKLGQAAFTATYNNAETAKKTSADNFAIDATYYFKPNFRSYISYQFNLLDSXXASKVASEDELAIGLRYDF/DGINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLGKAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTYGKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVKASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVGAGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYKLGQAAFTATYNNAETAKKTSADNFAIDATYYFKPNFRSYISYQFNLLDXXXASKVASEDELAIGLRYDF/DGINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLGKAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTYGKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVKASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVGAGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYKLGQAAFTATYNNAETAKKTSADNFAIDATYYFKPNFRSYISYQFNLLDSDKASKVASEDELAIGLRYDF +>T=0.2, sample=1, score=0.9259, global_score=0.9259, seq_recovery=0.5058 +GGLNLRSLRPGQVVYESNGSSLALGGSADAILAVKDGKAKDESVGRVRLDRTEKVNDDLYGEGRIELDFTTNDNGTDAVNNNLNVRKLYAGIGGKWGTLTYGKNDGALPSVRDFTDIMPVGGNTALPLIAVGSNVDNTLSYSATIGDLTLRASYRFANAIYVDSNGNVVSEENAAKVSDDGKDGVSVSATYDFGDSGWSLGAGAAYQGDQWAVAVAASYTKDNLYAAAAYVAGTLAKGVPYHGLSLAAAAKVGNVTVTASYDLALVDGKVSEDRLSVGVTYDFTPRFSASVAYEFNLLSXXXASFVASLDKLYYRLRTDF/GGLNLRSLRPGQVVYESNGSSLALGGSADAILAVKDGKAKDESVGRVRLDRTEKVNDDLYGEGRIELDFTTNDNGTDAVNNNLNVRKLYAGIGGKWGTLTYGKNDGALPSVRDFTDIMPVGGNTALPLIAVGSNVDNTLSYSATIGDLTLRASYRFANAIYVDSNGNVVSEENAAKVSDDGKDGVSVSATYDFGDSGWSLGAGAAYQGDQWAVAVAASYTKDNLYAAAAYVAGTLAKGVPYHGLSLAAAAKVGNVTVTASYDLALVDGKVSEDRLSVGVTYDFTPRFSASVAYEFNLLSXXXASFVASLDKLYYRLRTDF/GGLNLRSLRPGQVVYESNGSSLALGGSADAILAVKDGKAKDESVGRVRLDRTEKVNDDLYGEGRIELDFTTNDNGTDAVNNNLNVRKLYAGIGGKWGTLTYGKNDGALPSVRDFTDIMPVGGNTALPLIAVGSNVDNTLSYSATIGDLTLRASYRFANAIYVDSNGNVVSEENAAKVSDDGKDGVSVSATYDFGDSGWSLGAGAAYQGDQWAVAVAASYTKDNLYAAAAYVAGTLAKGVPYHGLSLAAAAKVGNVTVTASYDLALVDGKVSEDRLSVGVTYDFTPRFSASVAYEFNLLSXXXASFVASLDKLYYRLRTDF +>T=0.2, sample=2, score=0.9138, global_score=0.9138, seq_recovery=0.5340 +GGLNLSKPKPGKTVYEENGSTLKLGGYAEANLEIIDGKAKDKSKGRVSLLKTDKINDDLYGTGYIELDYTTNDNGVNAENNILNVRYLYAGIGGKWGTVTYGKYEGALPVIRDFTDIGPVGGNNAAPLIAVGDNIDNTISYSRTDGDWTYRASYRFADMIYVDENGNVVPKSEAARYSDNGKDGVSASAVYDFGDSGWTVGAGAAYQGDQWQAMLAASYEADNFYVAALLTAGQLAKDVPYLGLSLAASYKVGNWTYVANYDVAYVDGKVAEDNLTVGATYDFTPRFSTYVEYTKNLLDXXXASYVASADRLSLGIKTDF/GGLNLSKPKPGKTVYEENGSTLKLGGYAEANLEIIDGKAKDKSKGRVSLLKTDKINDDLYGTGYIELDYTTNDNGVNAENNILNVRYLYAGIGGKWGTVTYGKYEGALPVIRDFTDIGPVGGNNAAPLIAVGDNIDNTISYSRTDGDWTYRASYRFADMIYVDENGNVVPKSEAARYSDNGKDGVSASAVYDFGDSGWTVGAGAAYQGDQWQAMLAASYEADNFYVAALLTAGQLAKDVPYLGLSLAASYKVGNWTYVANYDVAYVDGKVAEDNLTVGATYDFTPRFSTYVEYTKNLLDXXXASYVASADRLSLGIKTDF/GGLNLSKPKPGKTVYEENGSTLKLGGYAEANLEIIDGKAKDKSKGRVSLLKTDKINDDLYGTGYIELDYTTNDNGVNAENNILNVRYLYAGIGGKWGTVTYGKYEGALPVIRDFTDIGPVGGNNAAPLIAVGDNIDNTISYSRTDGDWTYRASYRFADMIYVDENGNVVPKSEAARYSDNGKDGVSASAVYDFGDSGWTVGAGAAYQGDQWQAMLAASYEADNFYVAALLTAGQLAKDVPYLGLSLAASYKVGNWTYVANYDVAYVDGKVAEDNLTVGATYDFTPRFSTYVEYTKNLLDXXXASYVASADRLSLGIKTDF diff --git a/ProteinMPNN/outputs/example_6_outputs/tied_pdbs.jsonl b/ProteinMPNN/outputs/example_6_outputs/tied_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..5e7d02b3f132a50fb48f8e879d02a4551ed52a75 --- /dev/null +++ b/ProteinMPNN/outputs/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": [18], "C": [18]}, {"A": [19], "B": [19], "C": [19]}, {"A": [20], "B": [20], "C": [20]}, {"A": 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[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/outputs/example_8_outputs/seqs/5L33.fa b/ProteinMPNN/outputs/example_8_outputs/seqs/5L33.fa new file mode 100644 index 0000000000000000000000000000000000000000..2b83eca7d9e953eb81b06d0ec93227bbc0a3cddd --- /dev/null +++ b/ProteinMPNN/outputs/example_8_outputs/seqs/5L33.fa @@ -0,0 +1,6 @@ +>5L33, score=1.5874, global_score=1.5874, fixed_chains=[], designed_chains=['A'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +HMPEEEKAARLFIEALEKGDPELMRKVISPDTRMEDNGREFTGDEVVEYVKEIQKRGEQWHLRRYTKEGNSWRFEVQVDNNGQTEQWEVQIEVRNGRIKRVTITHV +>T=0.1, sample=1, score=0.9640, global_score=0.9640, seq_recovery=0.4340 +SINEDEKKALDFVEAFEKRDEELMKKVIEEDTKMNVNGKEYKGEEIVEYVKKLKEDGTKYELKSYEKKGNKYEFKMTKSNNGKTKESTLTIEVENGKVKYIDWKEE +>T=0.1, sample=2, score=0.9144, global_score=0.9144, seq_recovery=0.4528 +STNEEEQKALDYIKALEKADPELMKKVITEDTKMTYNGKEYEGEEIVEYVKELKERGIKYELESYEKEGDKYRYTVKRSENGKTYTETITVKVENGKVKEIEIEEE diff --git a/ProteinMPNN/outputs/example_8_outputs/seqs/6MRR.fa b/ProteinMPNN/outputs/example_8_outputs/seqs/6MRR.fa new file mode 100644 index 0000000000000000000000000000000000000000..0288f6bf5b44ebf0aec544066d8418cdf0db2521 --- /dev/null +++ b/ProteinMPNN/outputs/example_8_outputs/seqs/6MRR.fa @@ -0,0 +1,6 @@ +>6MRR, score=1.4683, global_score=1.4683, fixed_chains=[], designed_chains=['A'], model_name=v_48_020, git_hash=015ff820b9b5741ead6ba6795258f35a9c15e94b, seed=37 +GWSTELEKHREELKEFLKKEGITNVEIRIDNGRLEVRVEGGTERLKRFLEELRQKLEKKGYTVDIKIE +>T=0.1, sample=1, score=0.9935, global_score=0.9935, seq_recovery=0.5441 +SHDEELEKYKKELKKFLKEKNINNVEIKIENGELTIKTKGASEETKKYLEELKKELEKKGYKVNIKIE +>T=0.1, sample=2, score=1.0161, global_score=1.0161, seq_recovery=0.4853 +SKDEELEKYKKELKEFLKKKNIKNVKIEIKDGTLTIETKGCSKETKDYLKKLKKELEKKGYKVNIKIY diff --git a/ProteinMPNN/outputs/example_pssm_outputs/assigned_pdbs.jsonl b/ProteinMPNN/outputs/example_pssm_outputs/assigned_pdbs.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..9ad4b7426d9172ba8edbb10dca0c62696b0a3109 --- /dev/null +++ b/ProteinMPNN/outputs/example_pssm_outputs/assigned_pdbs.jsonl @@ -0,0 +1 @@ +{"3HTN": [["A", "B"], ["C"]], "4YOW": [["A", "B"], ["C", "D", "E", "F"]]} diff --git a/ProteinMPNN/outputs/example_pssm_outputs/make_PSSM_files.ipynb b/ProteinMPNN/outputs/example_pssm_outputs/make_PSSM_files.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..c95996e9551c04f29c40f65d917ef26752c674cf --- /dev/null +++ b/ProteinMPNN/outputs/example_pssm_outputs/make_PSSM_files.ipynb @@ -0,0 +1,174 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 2, + "id": "72f2cbf5", + "metadata": {}, + "outputs": [], + "source": [ + "import json\n", + "import numpy as np\n", + "import matplotlib.pyplot as plt" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "2ff4120b", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "/home/justas/projects/github/ProteinMPNN/outputs/example_pssm_outputs\r\n" + ] + } + ], + "source": [ + "!pwd" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "d0600b01", + "metadata": {}, + "outputs": [], + "source": [ + "input_path = \"./parsed_pdbs.jsonl\"\n", + "output_path = \"../../inputs/PSSM_inputs/\"\n", + "mpnn_alphabet = 'ACDEFGHIKLMNPQRSTVWYX'" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "71e81c08", + "metadata": {}, + "outputs": [], + "source": [ + "def softmax(x, T):\n", + " return np.exp(x/T)/np.sum(np.exp(x/T), -1, keepdims=True)" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "id": "ac59ccb3", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "A 143\n", + "B 143\n", + "C 143\n", + "A 227\n", + "B 4\n", + "C 227\n", + "D 4\n", + "E 227\n", + "F 4\n" + ] + } + ], + "source": [ + "X_mask = np.concatenate([np.zeros([1,20]), np.ones([1,1])], -1)\n", + "\n", + "with open(input_path, 'r') as json_file:\n", + " json_list = list(json_file)\n", + "\n", + "my_dict = {}\n", + "for json_str in json_list:\n", + " result = json.loads(json_str)\n", + " all_chain_list = [item[-1:] for item in list(result) if item[:9]=='seq_chain']\n", + " output_dict = {}\n", + " for chain in all_chain_list:\n", + " print(chain, len(result[f'seq_chain_{chain}']))\n", + " output_dict[chain+\"_coef\"] = np.ones(len(result[f'seq_chain_{chain}']), dtype=np.float32)\n", + " output_dict[chain+\"_odds\"] = np.ones((len(result[f'seq_chain_{chain}']),21))\n", + " random_bias = np.random.normal(size=(len(result[f'seq_chain_{chain}']),21)) #input your own PSSM bias\n", + " output_dict[chain+\"_bias\"] = softmax(random_bias-X_mask*1e8, 0.5) #making into probability distribution\n", + " np.savez(output_path+result['name'], **output_dict)" + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "id": "ea3a4ed6", + "metadata": {}, + "outputs": [], + "source": [ + "a = np.load(output_path+'/3HTN.npz')" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "id": "63dcd23e", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "Text(0, 0.5, 'PSSM probability')" + ] + }, + "execution_count": 9, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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\n", + "text/plain": [ + "
" + ] + }, + "metadata": { + "needs_background": "light" + }, + "output_type": "display_data" + } + ], + "source": [ + "plt.plot(a['A_bias'][10,:]);\n", + "plt.xticks(np.arange(21), mpnn_alphabet);\n", + "plt.grid(True)\n", + "plt.ylabel('PSSM probability')" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "e34f2ce5", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.6" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/ProteinMPNN/outputs/example_pssm_outputs/parsed_pdbs.jsonl b/ProteinMPNN/outputs/example_pssm_outputs/parsed_pdbs.jsonl new file mode 100644 index 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0.02112502082327946, 0.012162135453025422, 0.0261953752654127, 0.09683044816647315, 0.010055497622041049, 0.0232142649674036, 0.014788248530832637, 0.04562181515014364, 0.4872975926769282, 0.00993281522825131, 0.023552823196865375, 0.0009498716540067854, 0.0007094813589518859, 0.004214398348757309, 0.02892885702023876, 0.01183289718341439, 0.011263538374595304, 0.007803744929648229, 0.06442414189806456, 0.0], [0.001254183236720301, 0.007262744221988875, 0.06700137519278311, 0.15452694819301016, 0.013851292296719848, 0.001077337959657576, 0.0036879887215116943, 0.037009755724952215, 0.1887189276607354, 0.00654436345330319, 0.27966667534034584, 0.06357079121697405, 0.0014067909237505036, 0.024486006850212693, 0.0020429045686935327, 0.08063035975005776, 0.0010979087933811183, 0.05015341837762987, 0.012932646177046663, 0.003077581340525642, 0.0], [0.05007911896411496, 8.757137366303033e-05, 0.0014613879496236345, 0.005317194376777621, 0.00928828681714146, 0.008683574676491461, 0.02015334867263762, 0.15721094007502529, 0.004953591360326515, 0.024428100699765618, 0.0005093141270113167, 0.0010330697521736757, 0.0056753662906744076, 0.6386982727183583, 0.01929146683543553, 0.036027129491297834, 0.0037836035128764214, 0.005323744550819918, 0.00021800157971854422, 0.0077769161760669545, 0.0], [0.0364443750812504, 0.0013803905690415019, 0.00808259379391841, 0.06948617135684969, 0.006539716032343522, 0.0011945981684868669, 0.008225210496771407, 0.0003408415869751814, 0.008536900617302553, 0.0009581294980765034, 0.0002840408705755949, 0.02858591677512263, 0.012316648651601017, 0.009088447973293265, 0.0009770494604051407, 0.0011573678729629197, 0.54136190146598, 0.19744041139258678, 0.027897842537433357, 0.03970144579902305, 0.0]], "pssm_log_odds": [[1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0]]}}} diff --git a/ProteinMPNN/outputs/example_pssm_outputs/seqs/3HTN.fa b/ProteinMPNN/outputs/example_pssm_outputs/seqs/3HTN.fa new file mode 100644 index 0000000000000000000000000000000000000000..234e61d58247f51a12757f440008920dd462d25e --- /dev/null +++ b/ProteinMPNN/outputs/example_pssm_outputs/seqs/3HTN.fa @@ -0,0 +1,6 @@ +>3HTN, score=1.1550, global_score=1.1955, fixed_chains=['C'], designed_chains=['A', 'B'], model_name=v_48_020, git_hash=be1d37b6699dcd2283ab5b6fc8cc88774e2c80e9, seed=37 +NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKTKAYDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER/NMYSYKKIGNKYIVSINNHTEIVKALNAFCKEKGILSGSINGIGAIGELTLRFFNPKXXXXDDKTFREQMEISNLTGNISSMNEQVYLHLHITVGRSDYSALAGHLLSAIQNGAGEFVVEDYSERISRTYNPDLGLNIYDFER +>T=0.1, sample=1, score=1.7287, global_score=1.5790, seq_recovery=0.3794 +KLEDYKQIMLKYIVEVYNNTPLLSFLMNFCCEKNINSTTVYGIHSEKEVTGDFPDYETKVSEKRTFKLNLTVSNLRGFISTHDTSTFLDLHATFGHDDFSAEAGHLLSAHVNGLAYLIIEDYKEKVSTKYDTELGLNLLDFNS/KGWSYPKIGNKTLLSVDFNKDLLTYIKDFCIANKIKSGTVYGIRSISSLTLKFFDPQXXXXKTKNLNNNLEVSNNTGLISTKDGRVDYLFPFTISDENWSALEGFLISAIVNWTSELKIEDFNLERNVKTYFELTVDLLDFNL +>T=0.1, sample=2, score=1.9398, global_score=1.7218, seq_recovery=0.3901 +KLYLYKKIHKKYLVEIKCNTELVKGLMEFCKEKKIKSHTINCIGQIKSVPLDFPNMENKQSKVVEGNESCDLCNLTNFISTHNNEITLDIYGFFGDSSFSMRAGHLLSALSSGTIQCVTEKYKWKNSIKYAEATQWHNLCENN/TLYNYKKNGNKYIISTNFGKALCKALKYFCEDLNIKSGTLNGIGMEEKVVLEFFWPVXXXXTLDTYNEYLWISNLSGLISTINGKCGYDLYMTFGDSNFSALEGHLVQAVVNKISEPIRVDYNLKVNWKYNEATTLWDLYFNN diff --git a/ProteinMPNN/outputs/example_pssm_outputs/seqs/4YOW.fa b/ProteinMPNN/outputs/example_pssm_outputs/seqs/4YOW.fa new file mode 100644 index 0000000000000000000000000000000000000000..c0b9a889d182bca623754b338a89e4c1b7f44464 --- /dev/null +++ b/ProteinMPNN/outputs/example_pssm_outputs/seqs/4YOW.fa @@ -0,0 +1,6 @@ +>4YOW, score=1.1209, global_score=1.1436, fixed_chains=['C', 'D', 'E', 'F'], designed_chains=['A', 'B'], model_name=v_48_020, git_hash=be1d37b6699dcd2283ab5b6fc8cc88774e2c80e9, seed=37 +MRIVAADTGGAVLDESFQPVGLIATVAVLVEKPYKTSKRFLVKYADPYNYDLSGRQAIRDEIELAIELAREVSPDVIHLNSTLGGIEVRKLDESTIDALQISDRGKEIWKELSKDLQPLAKKFWEETGIEIIAIGKSSVPVRIAEIYAGIFSVKWALDNVKEKGGLLVGLPRYMEVEIKKDKIIGKSLDPREGGLYGEVKTEVPQGIKWELYPNPLVRRFMVFEITS/XXXX +>T=0.1, sample=1, score=1.7341, global_score=1.3431, seq_recovery=0.4185 +MKIVEANTDGYLHDCNNKAIGNIATVCVLLEKPYRTSKEFLQRYHDTTNYDLTSDQDCIDKILLATFLAIKTKPDLIHRDFDLGRVKFADLQPEVLDRLTIFEDTYFREKELASPLMPLAQAFSEKTGIKALGTGSRSNGVAIADIYGSGIAVKYALEHVKETVVLRIKPAQATRVEIKENSRPVTRLKPRGGAKHTEIETEIPEGVTYVLRPDPLRRGHMIFEIST/XXXX +>T=0.1, sample=2, score=1.7089, global_score=1.3339, seq_recovery=0.4361 +TKTVALYKIGSLLDENIKENGPIAWVAMLVEKPYRTSIISLVKYLDLEKAMGVGNEVEEFNLDLAIEAAKKYHPDRIHLDLRLTGVPRKELTNEVIGALYISKEIEPTRIGDAKTWTPKASAVLAEHGIEILAIGDDFVDVHIADISASVYAVWWALENVKGRKGLRVGLGYATSYEIDEDSILGRSLDPRDFGLMTEIGTKINEGITYELYPNPTMRGHMVFEVKV/XXXX diff --git a/ProteinMPNN/outputs/training_test_output/seqs/5L33.fa b/ProteinMPNN/outputs/training_test_output/seqs/5L33.fa new file mode 100644 index 0000000000000000000000000000000000000000..df3c5bef7b927ebd4c04557b42e85b2feb3a382c --- /dev/null +++ b/ProteinMPNN/outputs/training_test_output/seqs/5L33.fa @@ -0,0 +1,18 @@ +>5L33, score=1.9496, global_score=1.9496, fixed_chains=[], designed_chains=['A'], model_name=epoch_last, git_hash=78fdc70e6da22ba7a535f8913f62310b738f0b33, seed=37 +HMPEEEKAARLFIEALEKGDPELMRKVISPDTRMEDNGREFTGDEVVEYVKEIQKRGEQWHLRRYTKEGNSWRFEVQVDNNGQTEQWEVQIEVRNGRIKRVTITHV +>T=0.1, sample=1, score=1.3913, global_score=1.3913, seq_recovery=0.3396 +ALPAAEKVALALLDALATGDPELLKAVLTADSKFTDNGKEFKGEDLVDFVEKLKKEGKKFKPTSGSVTGDSFTLTLTVSSNGKTETATLTVKVENGKLSSLTITKN +>T=0.1, sample=2, score=1.3315, global_score=1.3315, seq_recovery=0.3868 +KLPEEEKVAKELLKALENGDPELAKKVLTPDAKFTLNGEEFSGEELVKFVKELKEKGEKFKPLSSKKDGDSYTFTLKLSKNGKTETATLKVKVKNGKVEEIELSSD +>T=0.1, sample=3, score=1.3452, global_score=1.3452, seq_recovery=0.4151 +KLPEEEKVAKKLLEALEKKDPELLKKVLTPDSEFTINGKKFKGEELVKLVKELKKKGEKFELVSSSKTGDSFTFTLKVSKNGKTKEATLTVTVKNGKLDKLTLSFK +>T=0.1, sample=4, score=1.3763, global_score=1.3763, seq_recovery=0.3208 +KLDEKLKVAEKLIKALENGDPALLKEVLTKDSKFTINGKEFTGEDAVDFVKKLKKAGEKFKKLSGELKGDEFTFKLELEKDGEKKTAELTVKVENGKLTSLTIKDK +>T=0.1, sample=5, score=1.3108, global_score=1.3108, seq_recovery=0.3208 +KLPEEEKVAKKLLDALENKDPELAKKVLTKDAKFKINGKEFSGEDLVDFVKKLKEDGKEFKLLSGKKVGDKYVFTLKISKDGEEKEAKLEVKVKNGKVEEIKIESK +>T=0.1, sample=6, score=1.3122, global_score=1.3122, seq_recovery=0.3302 +KLPEEEKVAKKLLEALEKGDPELLKEVLTKDAEFTKNGEKFKGPDLVKFVEKLKAAGEKFKLLSSKKEGDKYTLTLELEKNGEKKKATLTVDVKNGKVESLELSDK +>T=0.1, sample=7, score=1.3217, global_score=1.3217, seq_recovery=0.3774 +KKPEKEKVADKLVDALEKGDPELLKKVLTKDAKFEKNGKKFKGEDLVKYVEELKAKGEKFEPVGGEKKGDSYKFKLKISKNGKTKTATLEVKVENGKVKELKISEK +>T=0.1, sample=8, score=1.2603, global_score=1.2603, seq_recovery=0.3491 +KLPEKEKVAKKLLDALEKGDPELLKEVLNKDAKFTINGKKFKGDDLVKFVEELKKKGEKFEPLSGEKKGDEFVFKLKIEKNGEKKEVELKVKVEDGKVKDIEIKDK diff --git a/ProteinMPNN/protein_mpnn_run.py b/ProteinMPNN/protein_mpnn_run.py new file mode 100644 index 0000000000000000000000000000000000000000..27816ee63736544f59653b10fcca797216015d4f --- /dev/null +++ b/ProteinMPNN/protein_mpnn_run.py @@ -0,0 +1,469 @@ +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 + import subprocess + + 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, parse_fasta + from protein_mpnn_utils import StructureDataset, StructureDatasetPDB, ProteinMPNN + + if args.seed: + seed=args.seed + else: + seed=int(np.random.randint(0, high=999, size=1, dtype=int)[0]) + + torch.manual_seed(seed) + random.seed(seed) + np.random.seed(seed) + + 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("/") + if args.ca_only: + print("Using CA-ProteinMPNN!") + model_folder_path = file_path[:k] + '/ca_model_weights/' + if args.use_soluble_model: + print("WARNING: CA-SolubleMPNN is not available yet") + sys.exit() + else: + if args.use_soluble_model: + print("Using ProteinMPNN trained on soluble proteins only!") + model_folder_path = file_path[:k] + '/soluble_model_weights/' + else: + 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' + alphabet_dict = dict(zip(alphabet, range(21))) + print_all = args.suppress_print == 0 + 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 + if print_all: + 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: + if print_all: + 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: + if print_all: + 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: + if print_all: + 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: + if print_all: + 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: + if print_all: + 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) + if print_all: + print('bias by residue dictionary is loaded') + else: + if print_all: + print(40*'-') + print('bias by residue dictionary is not loaded, or not provided') + bias_by_res_dict = None + + + if print_all: + 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, ca_only=args.ca_only) + 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, verbose=print_all) + + checkpoint = torch.load(checkpoint_path, map_location=device) + noise_level_print = checkpoint['noise_level'] + model = ProteinMPNN(ca_only=args.ca_only, 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() + + if print_all: + print(40*'-') + print('Number of edges:', checkpoint['num_edges']) + print(f'Training noise level: {noise_level_print}A') + + # 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.unconditional_probs_only: + if not os.path.exists(base_folder + 'unconditional_probs_only'): + os.makedirs(base_folder + 'unconditional_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. + for ix, protein in enumerate(dataset_valid): + score_list = [] + global_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, ca_only=args.ca_only) + 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: + loop_c = 0 + if args.path_to_fasta: + fasta_names, fasta_seqs = parse_fasta(args.path_to_fasta, omit=["/"]) + loop_c = len(fasta_seqs) + for fc in range(1+loop_c): + if fc == 0: + structure_sequence_score_file = base_folder + '/score_only/' + batch_clones[0]['name'] + f'_pdb' + else: + structure_sequence_score_file = base_folder + '/score_only/' + batch_clones[0]['name'] + f'_fasta_{fc}' + native_score_list = [] + global_native_score_list = [] + if fc > 0: + input_seq_length = len(fasta_seqs[fc-1]) + S_input = torch.tensor([alphabet_dict[AA] for AA in fasta_seqs[fc-1]], device=device)[None,:].repeat(X.shape[0], 1) + S[:,:input_seq_length] = S_input #assumes that S and S_input are alphabetically sorted for masked_chains + 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) + global_scores = _scores(S, log_probs, mask) + global_native_score = global_scores.cpu().data.numpy() + global_native_score_list.append(global_native_score) + native_score = np.concatenate(native_score_list, 0) + global_native_score = np.concatenate(global_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) + + global_ns_mean = global_native_score.mean() + global_ns_mean_print = np.format_float_positional(np.float32(global_ns_mean), unique=False, precision=4) + global_ns_std = global_native_score.std() + global_ns_std_print = np.format_float_positional(np.float32(global_ns_std), unique=False, precision=4) + + ns_sample_size = native_score.shape[0] + seq_str = _S_to_seq(S[0,], chain_M[0,]) + np.savez(structure_sequence_score_file, score=native_score, global_score=global_native_score, S=S[0,].cpu().numpy(), seq_str=seq_str) + if print_all: + if fc == 0: + print(f'Score for {name_} from PDB, mean: {ns_mean_print}, std: {ns_std_print}, sample size: {ns_sample_size}, global score, mean: {global_ns_mean_print}, std: {global_ns_std_print}, sample size: {ns_sample_size}') + else: + print(f'Score for {name_}_{fc} from FASTA, mean: {ns_mean_print}, std: {ns_std_print}, sample size: {ns_sample_size}, global score, mean: {global_ns_mean_print}, std: {global_ns_std_print}, sample size: {ns_sample_size}') + elif args.conditional_probs_only: + if print_all: + 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) + elif args.unconditional_probs_only: + if print_all: + print(f'Calculating sequence unconditional probabilities for {name_}') + unconditional_probs_only_file = base_folder + '/unconditional_probs_only/' + batch_clones[0]['name'] + log_unconditional_probs_list = [] + for j in range(NUM_BATCHES): + log_unconditional_probs = model.unconditional_probs(X, mask, residue_idx, chain_encoding_all) + log_unconditional_probs_list.append(log_unconditional_probs.cpu().numpy()) + concat_log_p = np.concatenate(log_unconditional_probs_list, 0) #[B, L, 21] + mask_out = (chain_M*chain_M_pos*mask)[0,].cpu().numpy() + np.savez(unconditional_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) #score only the redesigned part + native_score = scores.cpu().data.numpy() + global_scores = _scores(S, log_probs, mask) #score the whole structure-sequence + global_native_score = global_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'] + '.npz' + probs_file = base_folder + '/probs/' + batch_clones[0]['name'] + '.npz' + if print_all: + 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() + + global_scores = _scores(S_sample, log_probs, mask) #score the whole structure-sequence + global_scores = global_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) + global_score = global_scores[b_ix] + global_score_list.append(global_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) + global_native_score_print = np.format_float_positional(np.float32(global_native_score.mean()), unique=False, precision=4) + script_dir = os.path.dirname(os.path.realpath(__file__)) + try: + commit_str = subprocess.check_output(f'git --git-dir {script_dir}/.git rev-parse HEAD', shell=True, stderr=subprocess.DEVNULL).decode().strip() + except subprocess.CalledProcessError: + commit_str = 'unknown' + if args.ca_only: + print_model_name = 'CA_model_name' + else: + print_model_name = 'model_name' + f.write('>{}, score={}, global_score={}, fixed_chains={}, designed_chains={}, {}={}, git_hash={}, seed={}\n{}\n'.format(name_, native_score_print, global_native_score_print, print_visible_chains, print_masked_chains, print_model_name, args.model_name, commit_str, seed, 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) + global_score_print = np.format_float_positional(np.float32(global_score), unique=False, precision=4) + seq_rec_print = np.format_float_positional(np.float32(seq_recovery_rate.detach().cpu().numpy()), unique=False, precision=4) + sample_number = j*BATCH_COPIES+b_ix+1 + f.write('>T={}, sample={}, score={}, global_score={}, seq_recovery={}\n{}\n'.format(temp,sample_number,score_print,global_score_print,seq_rec_print,seq)) #write generated sequence + if args.save_score: + np.savez(score_file, score=np.array(score_list, np.float32), global_score=np.array(global_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] + if print_all: + 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("--suppress_print", type=int, default=0, help="0 for False, 1 for True") + + + argparser.add_argument("--ca_only", action="store_true", default=False, help="Parse CA-only structures and use CA-only models (default: false)") + 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("--use_soluble_model", action="store_true", default=False, help="Flag to load ProteinMPNN weights trained on soluble proteins only.") + + + argparser.add_argument("--seed", type=int, default=0, help="If set to 0 then a random seed will be picked;") + + 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("--path_to_fasta", type=str, default="", help="score provided input sequence in a fasta format; e.g. GGGGGG/PPPPS/WWW for chains A, B, C sorted alphabetically and separated by /") + + + 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("--unconditional_probs_only", type=int, default=0, help="0 for False, 1 for True; output unconditional probabilities p(s_i given backbone) in one forward pass") + + 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=200000, 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. 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/protein_mpnn_utils.py b/ProteinMPNN/protein_mpnn_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..a8fd00821a538d2d82ac4ba0a86d29252bed0293 --- /dev/null +++ b/ProteinMPNN/protein_mpnn_utils.py @@ -0,0 +1,1383 @@ +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 parse_fasta(filename,limit=-1, omit=[]): + header = [] + sequence = [] + lines = open(filename, "r") + for line in lines: + line = line.rstrip() + if line[0] == ">": + if len(header) == limit: + break + header.append(line[1:]) + sequence.append([]) + else: + if omit: + line = [item for item in line if item not in omit] + line = ''.join(line) + line = ''.join(line) + sequence[-1].append(line) + lines.close() + sequence = [''.join(seq) for seq in sequence] + return np.array(header), np.array(sequence) + +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, ca_only=False): + 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: + if ca_only: + sidechain_atoms = ['CA'] + else: + sidechain_atoms = ['N', 'CA', 'C', 'O'] + xyz, seq = parse_PDB_biounits(biounit, atoms=sidechain_atoms, chain=letter) + if type(xyz) != str: + concat_seq += seq[0] + my_dict['seq_chain_'+letter]=seq[0] + coords_dict_chain = {} + if ca_only: + coords_dict_chain['CA_chain_'+letter]=xyz.tolist() + else: + 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, ca_only=False): + """ 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]) + if ca_only: + X = np.zeros([B, L_max, 1, 3]) + else: + 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 = [] + 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 = [] + masked_chains.sort() #sort masked_chains + visible_chains.sort() #sort visible_chains + all_chains = masked_chains + visible_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 + if ca_only: + x_chain = np.array(chain_coords[f'CA_chain_{letter}']) #[chain_lenght,1,3] #CA_diff + if len(x_chain.shape) == 2: + x_chain = x_chain[:,None,:] + else: + 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 + if ca_only: + x_chain = np.array(chain_coords[f'CA_chain_{letter}']) #[chain_lenght,1,3] #CA_diff + if len(x_chain.shape) == 2: + x_chain = x_chain[:,None,:] + else: + 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) + if ca_only: + X_out = X[:,:,0] + else: + X_out = X + return X_out, 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: + if verbose: + 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)) + if verbose: + 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 CA_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(CA_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 + + # Positional encoding + self.embeddings = PositionalEncodings(num_positional_embeddings) + # Normalization and embedding + node_in, edge_in = 3, num_positional_embeddings + num_rbf*9 + 7 + self.node_embedding = nn.Linear(node_in, node_features, bias=False) #NOT USED + self.edge_embedding = nn.Linear(edge_in, edge_features, bias=False) + self.norm_nodes = nn.LayerNorm(node_features) + self.norm_edges = nn.LayerNorm(edge_features) + + + def _quaternions(self, R): + """ Convert a batch of 3D rotations [R] to quaternions [Q] + R [...,3,3] + Q [...,4] + """ + # Simple Wikipedia version + # en.wikipedia.org/wiki/Rotation_matrix#Quaternion + # For other options see math.stackexchange.com/questions/2074316/calculating-rotation-axis-from-rotation-matrix + diag = torch.diagonal(R, dim1=-2, dim2=-1) + Rxx, Ryy, Rzz = diag.unbind(-1) + magnitudes = 0.5 * torch.sqrt(torch.abs(1 + torch.stack([ + Rxx - Ryy - Rzz, + - Rxx + Ryy - Rzz, + - Rxx - Ryy + Rzz + ], -1))) + _R = lambda i,j: R[:,:,:,i,j] + signs = torch.sign(torch.stack([ + _R(2,1) - _R(1,2), + _R(0,2) - _R(2,0), + _R(1,0) - _R(0,1) + ], -1)) + xyz = signs * magnitudes + # The relu enforces a non-negative trace + w = torch.sqrt(F.relu(1 + diag.sum(-1, keepdim=True))) / 2. + Q = torch.cat((xyz, w), -1) + Q = F.normalize(Q, dim=-1) + return Q + + def _orientations_coarse(self, X, E_idx, eps=1e-6): + dX = X[:,1:,:] - X[:,:-1,:] + dX_norm = torch.norm(dX,dim=-1) + dX_mask = (3.6 0: + Ca = Ca + self.augment_eps * torch.randn_like(Ca) + + D_neighbors, E_idx, mask_neighbors = self._dist(Ca, mask) + + Ca_0 = torch.zeros(Ca.shape, device=Ca.device) + Ca_2 = torch.zeros(Ca.shape, device=Ca.device) + Ca_0[:,1:,:] = Ca[:,:-1,:] + Ca_1 = Ca + Ca_2[:,:-1,:] = Ca[:,1:,:] + + V, O_features = self._orientations_coarse(Ca, E_idx) + + RBF_all = [] + RBF_all.append(self._rbf(D_neighbors)) #Ca_1-Ca_1 + RBF_all.append(self._get_rbf(Ca_0, Ca_0, E_idx)) + RBF_all.append(self._get_rbf(Ca_2, Ca_2, E_idx)) + + RBF_all.append(self._get_rbf(Ca_0, Ca_1, E_idx)) + RBF_all.append(self._get_rbf(Ca_0, Ca_2, E_idx)) + + RBF_all.append(self._get_rbf(Ca_1, Ca_0, E_idx)) + RBF_all.append(self._get_rbf(Ca_1, Ca_2, E_idx)) + + RBF_all.append(self._get_rbf(Ca_2, Ca_0, E_idx)) + RBF_all.append(self._get_rbf(Ca_2, Ca_1, E_idx)) + + + 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() + 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, O_features), -1) + + + E = self.edge_embedding(E) + E = self.norm_edges(E) + + return E, E_idx + + + + +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, ca_only=False): + super(ProteinMPNN, self).__init__() + + # Hyperparameters + self.node_features = node_features + self.edge_features = edge_features + self.hidden_dim = hidden_dim + + # Featurization layers + if ca_only: + self.features = CA_ProteinFeatures(node_features, edge_features, top_k=k_neighbors, augment_eps=augment_eps) + self.W_v = nn.Linear(node_features, hidden_dim, bias=True) + else: + 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] + mask_gathered = torch.gather(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 (mask_gathered==0).all(): #for padded or missing regions only + 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 (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) + S_t_repeat = (chain_mask[:,t]*S_t_repeat + (1-chain_mask[:,t])*S_true[:,t]).long() #hard pick fixed positions + 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 + + + def unconditional_probs(self, X, mask, residue_idx, chain_encoding_all): + """ 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) + + # Build encoder embeddings + h_EX_encoder = cat_neighbors_nodes(torch.zeros_like(h_V), h_E, E_idx) + h_EXV_encoder = cat_neighbors_nodes(h_V, h_EX_encoder, E_idx) + + order_mask_backward = torch.zeros([X.shape[0], X.shape[1], X.shape[1]], device=device) + 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: + h_V = layer(h_V, h_EXV_encoder_fw, mask) + + logits = self.W_out(h_V) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs + diff --git a/ProteinMPNN/soluble_model_weights/excluded_PDBs.csv b/ProteinMPNN/soluble_model_weights/excluded_PDBs.csv new file mode 100644 index 0000000000000000000000000000000000000000..cad46ce4236abd0fbd075e7724f282d62f65dd18 --- /dev/null +++ b/ProteinMPNN/soluble_model_weights/excluded_PDBs.csv @@ -0,0 +1,17370 @@ +,PDB_IDS +0,1a0m +1,1a0r +2,1a0s +3,1a0t +4,1a11 +5,1a13 +6,1a18 +7,1a1p +8,1a25 +9,1a2a +10,1a2d +11,1a3d +12,1a3f +13,1a4r +14,1a56 +15,1a57 +16,1a6s +17,1a7y +18,1a7z +19,1a8a 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0000000000000000000000000000000000000000..17046258ee561c4260db62c75c618b889b14dc2c --- /dev/null +++ b/ProteinMPNN/soluble_model_weights/v_48_010.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:79562f7444f72c84595a1c96010713864865a616f4f3967633493041e169fa6e +size 6681301 diff --git a/ProteinMPNN/soluble_model_weights/v_48_020.pt b/ProteinMPNN/soluble_model_weights/v_48_020.pt new file mode 100644 index 0000000000000000000000000000000000000000..67a02002ad0cb9d9cd00957013d2b638f943ca0b --- /dev/null +++ b/ProteinMPNN/soluble_model_weights/v_48_020.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7af52d090172c230c7f0e9d21e02203f6b3a38b16db58d3c7a3960e0a9a6e31a +size 6681301 diff --git a/ProteinMPNN/soluble_model_weights/v_48_030.pt b/ProteinMPNN/soluble_model_weights/v_48_030.pt new file mode 100644 index 0000000000000000000000000000000000000000..102d4a7c533a9cc21a9254706bdb749482a486fd --- /dev/null +++ b/ProteinMPNN/soluble_model_weights/v_48_030.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1dd63f1e9fc68a133cc9ef859edf43b489e5ac581cb5624e0b9ec848ff062421 +size 6681301 diff --git a/ProteinMPNN/training/LICENSE b/ProteinMPNN/training/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..553804ee1b65bdebb4f971b1ba226b15e1e2623b --- /dev/null +++ b/ProteinMPNN/training/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/training/README.md b/ProteinMPNN/training/README.md new file mode 100644 index 0000000000000000000000000000000000000000..2f128762223f56327b614fcbf277c65153c71df4 --- /dev/null +++ b/ProteinMPNN/training/README.md @@ -0,0 +1,100 @@ +# ProteinMPNN +To train/retrain ProteinMPNN clone this github repo and install Python>=3.0, PyTorch, Numpy. + +The multi-chain training data (16.5 GB, PDB biounits, 2021 August 2) can be downloaded from here: `https://files.ipd.uw.edu/pub/training_sets/pdb_2021aug02.tar.gz`; The small subsample (47 MB) of this data for testing purposes can be downloaded from here: `https://files.ipd.uw.edu/pub/training_sets/pdb_2021aug02_sample.tar.gz` + +``` +Training set for ProteinMPNN curated by Ivan Anishchanko. + +Each PDB entry is represented as a collection of .pt files: + PDBID_CHAINID.pt - contains CHAINID chain from PDBID + PDBID.pt - metadata and information on biological assemblies + +PDBID_CHAINID.pt has the following fields: + seq - amino acid sequence (string) + xyz - atomic coordinates [L,14,3] + mask - boolean mask [L,14] + bfac - temperature factors [L,14] + occ - occupancy [L,14] (is 1 for most atoms, <1 if alternative conformations are present) + +PDBID.pt: + method - experimental method (str) + date - deposition date (str) + resolution - resolution (float) + chains - list of CHAINIDs (there is a corresponding PDBID_CHAINID.pt file for each of these) + tm - pairwise similarity between chains (TM-score,seq.id.,rmsd from TM-align) [num_chains,num_chains,3] + asmb_ids - biounit IDs as in the PDB (list of str) + asmb_details - how the assembly was identified: author, or software, or smth else (list of str) + asmb_method - PISA or smth else (list of str) + + asmb_chains - list of chains which each biounit is composed of (list of str, each str contains comma separated CHAINIDs) + asmb_xformIDX - (one per biounit) xforms to be applied to chains from asmb_chains[IDX], [n,4,4] + [n,:3,:3] - rotation matrices + [n,3,:3] - translation vectors + +list.csv: + CHAINID - chain label, PDBID_CHAINID + DEPOSITION - deposition date + RESOLUTION - structure resolution + HASH - unique 6-digit hash for the sequence + CLUSTER - sequence cluster the chain belongs to (clusters were generated at seqID=30%) + SEQUENCE - reference amino acid sequence + +valid_clusters.txt - clusters used for validation + +test_clusters.txt - clusters used for testing +``` + +Code organization: +* `training.py` - the main script to train the model +* `model_utils.py` - utility functions and classes for the model +* `utils.py` - utility functions and classes for data loading +* `exp_020/` - sample outputs +* `submit_exp_020.sh` - sample SLURM submit script +----------------------------------------------------------------------------------------------------- +Input flags for `training.py`: +``` + argparser.add_argument("--path_for_training_data", type=str, default="my_path/pdb_2021aug02", help="path for loading training data") + argparser.add_argument("--path_for_outputs", type=str, default="./test", help="path for logs and model weights") + argparser.add_argument("--previous_checkpoint", type=str, default="", help="path for previous model weights, e.g. file.pt") + argparser.add_argument("--num_epochs", type=int, default=200, help="number of epochs to train for") + argparser.add_argument("--save_model_every_n_epochs", type=int, default=10, help="save model weights every n epochs") + argparser.add_argument("--reload_data_every_n_epochs", type=int, default=2, help="reload training data every n epochs") + argparser.add_argument("--num_examples_per_epoch", type=int, default=1000000, help="number of training example to load for one epoch") + argparser.add_argument("--batch_size", type=int, default=10000, help="number of tokens for one batch") + argparser.add_argument("--max_protein_length", type=int, default=10000, help="maximum length of the protein complext") + argparser.add_argument("--hidden_dim", type=int, default=128, help="hidden model dimension") + argparser.add_argument("--num_encoder_layers", type=int, default=3, help="number of encoder layers") + argparser.add_argument("--num_decoder_layers", type=int, default=3, help="number of decoder layers") + argparser.add_argument("--num_neighbors", type=int, default=48, help="number of neighbors for the sparse graph") + argparser.add_argument("--dropout", type=float, default=0.1, help="dropout level; 0.0 means no dropout") + argparser.add_argument("--backbone_noise", type=float, default=0.2, help="amount of noise added to backbone during training") + argparser.add_argument("--rescut", type=float, default=3.5, help="PDB resolution cutoff") + argparser.add_argument("--debug", type=bool, default=False, help="minimal data loading for debugging") + argparser.add_argument("--gradient_norm", type=float, default=-1.0, help="clip gradient norm, set to negative to omit clipping") + argparser.add_argument("--mixed_precision", type=bool, default=True, help="train with mixed precision") +``` +----------------------------------------------------------------------------------------------------- +For example to make a conda environment to run ProteinMPNN: +* `conda create --name mlfold` - this creates conda environment called `mlfold` +* `source activate mlfold` - this activate environment +* `conda install pytorch torchvision torchaudio cudatoolkit=11.3 -c pytorch` - install pytorch following steps from https://pytorch.org/ +----------------------------------------------------------------------------------------------------- +Models provided for the vanilla MPNN were trained with default flags: +* `v_48_002.pt` - `--num_neighbors 48 --backbone_noise 0.02 --num_epochs 150` +* `v_48_010.pt` - `--num_neighbors 48 --backbone_noise 0.10 --num_epochs 150` +* `v_48_020.pt` - `--num_neighbors 48 --backbone_noise 0.20 --num_epochs 150` +----------------------------------------------------------------------------------------------------- +``` +@article{dauparas2022robust, + title={Robust deep learning--based protein sequence design using ProteinMPNN}, + author={Dauparas, Justas and Anishchenko, Ivan and Bennett, Nathaniel and Bai, Hua and Ragotte, Robert J and Milles, Lukas F and Wicky, Basile IM and Courbet, Alexis and de Haas, Rob J and Bethel, Neville and others}, + journal={Science}, + volume={378}, + number={6615}, + pages={49--56}, + year={2022}, + publisher={American Association for the Advancement of Science} +} +``` +----------------------------------------------------------------------------------------------------- diff --git a/ProteinMPNN/training/colab_training_example.ipynb b/ProteinMPNN/training/colab_training_example.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..f8a763ea12dfccd74e3ce7bd9fe353c0a2ed7914 --- /dev/null +++ b/ProteinMPNN/training/colab_training_example.ipynb @@ -0,0 +1,1183 @@ +{ + "nbformat": 4, + "nbformat_minor": 0, + "metadata": { + "colab": { + "provenance": [], + "collapsed_sections": [], + "authorship_tag": "ABX9TyNOXLieRc+7DSEUOVtmG9NS", + "include_colab_link": true + }, + "kernelspec": { + "name": "python3", + "display_name": "Python 3" + }, + "language_info": { + "name": "python" + }, + "accelerator": "GPU" + }, + "cells": [ + { + "cell_type": "markdown", + "metadata": { + "id": "view-in-github", + "colab_type": "text" + }, + "source": [ + "\"Open" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "metadata": { + "colab": { + "base_uri": "https://localhost:8080/" + }, + "id": "Boc3uL_qWUKy", + "outputId": "f337b98c-48b5-4e3f-d1da-b38b08aca48f" + }, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "Cloning into 'ProteinMPNN'...\n", + "remote: Enumerating objects: 542, done.\u001b[K\n", + "remote: Counting objects: 100% (542/542), done.\u001b[K\n", + "remote: Compressing objects: 100% (297/297), done.\u001b[K\n", + "remote: Total 542 (delta 236), reused 508 (delta 226), pack-reused 0\u001b[K\n", + "Receiving objects: 100% (542/542), 66.58 MiB | 13.73 MiB/s, done.\n", + "Resolving deltas: 100% (236/236), done.\n" + ] + } + ], + "source": [ + "!git clone https://github.com/dauparas/ProteinMPNN.git" + ] + }, + { + "cell_type": "code", + "source": [ + "!wget https://files.ipd.uw.edu/pub/training_sets/pdb_2021aug02_sample.tar.gz" + ], + "metadata": { + "colab": { + "base_uri": "https://localhost:8080/" + }, + "id": "lPQopPm1WWrG", + "outputId": "9546d08c-9248-445e-81b0-b3ba82f4a801" + }, + "execution_count": 2, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "--2022-10-26 03:43:33-- https://files.ipd.uw.edu/pub/training_sets/pdb_2021aug02_sample.tar.gz\n", + "Resolving files.ipd.uw.edu (files.ipd.uw.edu)... 198.48.92.75, 128.95.160.134, 128.95.160.135, ...\n", + "Connecting to files.ipd.uw.edu (files.ipd.uw.edu)|198.48.92.75|:443... connected.\n", + "HTTP request sent, awaiting response... 200 OK\n", + "Length: 49690915 (47M) [application/octet-stream]\n", + "Saving to: ‘pdb_2021aug02_sample.tar.gz’\n", + "\n", + "pdb_2021aug02_sampl 100%[===================>] 47.39M 13.5MB/s in 3.7s \n", + "\n", + "2022-10-26 03:43:38 (12.9 MB/s) - ‘pdb_2021aug02_sample.tar.gz’ saved [49690915/49690915]\n", + "\n" + ] + } + ] + }, + { + "cell_type": "code", + "source": [ + "!tar xvf \"pdb_2021aug02_sample.tar.gz\"" + ], + "metadata": { + "colab": { + "base_uri": "https://localhost:8080/" + }, + "id": "21to7lSNWemb", + "outputId": "7a51e458-a4e4-4b79-d26b-81570e855d62" + }, + "execution_count": 3, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "./pdb_2021aug02_sample/\n", + "./pdb_2021aug02_sample/README\n", + "./pdb_2021aug02_sample/list.csv\n", + "./pdb_2021aug02_sample/pdb/\n", + "./pdb_2021aug02_sample/pdb/l3/\n", + "./pdb_2021aug02_sample/pdb/l3/5l3p.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3g_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3f.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3r_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3o_G.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3b_E.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3t_C.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3y_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3p_DB.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l36_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3y_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l36.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l35_G.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l33_F.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3n.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3x.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3r_B.pt\n", + 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"./pdb_2021aug02_sample/pdb/l3/2l35_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3c.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3u.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l3o_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l35_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3o_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3z_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l33.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3n_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l34_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l31_E.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3p_W.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3e_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3x_L.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l3h.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3s_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3p_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3e_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3n_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l30.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l37_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l34_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3s_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3s.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3c_M.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3v_E.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l37_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3m_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l3n_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l35.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3x_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3s_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3p.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3f.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l36_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3g_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3r_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3q_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l36.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l35_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l36_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3y_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3n.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3a_C.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3l_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3x.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l30_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3g_C.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3t_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3g.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3q.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3y.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3a_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3o.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l35_E.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l37.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l30_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3j_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3v_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3u_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l3k_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3c_L.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3r.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3c_Z.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3d.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l31_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3k_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3l.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l31_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l32_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3z.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l34.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l3n_E.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3f_H.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3x_M.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3p_V.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l31_D.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l32_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l39_B.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3v_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l37_E.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l31.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l3v_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l3h_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/3l3s_E.pt\n", + "./pdb_2021aug02_sample/pdb/l3/7l3i.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l32_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/2l3w_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3t.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3b.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l38_I.pt\n", + "./pdb_2021aug02_sample/pdb/l3/4l33_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3i_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l32.pt\n", + "./pdb_2021aug02_sample/pdb/l3/5l3i_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/6l3w_A.pt\n", + "./pdb_2021aug02_sample/pdb/l3/1l3l_E.pt\n", + "./pdb_2021aug02_sample/test_clusters.txt\n", + "./pdb_2021aug02_sample/valid_clusters.txt\n" + ] + } + ] + }, + { + "cell_type": "code", + "source": [ + "import sys" + ], + "metadata": { + "id": "Ul9pmaQzXAg3" + }, + "execution_count": 4, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "sys.path.append(\"/content/ProteinMPNN/training\")" + ], + "metadata": { + "id": "o-03W_vgWguT" + }, + "execution_count": 5, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "from training import main as run_training" + ], + "metadata": { + "id": "6-xXsyM-W_7k" + }, + "execution_count": 6, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "# argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter)\n", + "\n", + "# argparser.add_argument(\"--path_for_training_data\", type=str, default=\"my_path/pdb_2021aug02\", help=\"path for loading training data\") \n", + "# argparser.add_argument(\"--path_for_outputs\", type=str, default=\"./test\", help=\"path for logs and model weights\")\n", + "# argparser.add_argument(\"--previous_checkpoint\", type=str, default=\"\", help=\"path for previous model weights, e.g. file.pt\")\n", + "# argparser.add_argument(\"--num_epochs\", type=int, default=200, help=\"number of epochs to train for\")\n", + "# argparser.add_argument(\"--save_model_every_n_epochs\", type=int, default=10, help=\"save model weights every n epochs\")\n", + "# argparser.add_argument(\"--reload_data_every_n_epochs\", type=int, default=2, help=\"reload training data every n epochs\")\n", + "# argparser.add_argument(\"--num_examples_per_epoch\", type=int, default=1000000, help=\"number of training example to load for one epoch\")\n", + "# argparser.add_argument(\"--batch_size\", type=int, default=10000, help=\"number of tokens for one batch\")\n", + "# argparser.add_argument(\"--max_protein_length\", type=int, default=10000, help=\"maximum length of the protein complext\")\n", + "# argparser.add_argument(\"--hidden_dim\", type=int, default=128, help=\"hidden model dimension\")\n", + "# argparser.add_argument(\"--num_encoder_layers\", type=int, default=3, help=\"number of encoder layers\") \n", + "# argparser.add_argument(\"--num_decoder_layers\", type=int, default=3, help=\"number of decoder layers\")\n", + "# argparser.add_argument(\"--num_neighbors\", type=int, default=48, help=\"number of neighbors for the sparse graph\") \n", + "# argparser.add_argument(\"--dropout\", type=float, default=0.1, help=\"dropout level; 0.0 means no dropout\")\n", + "# argparser.add_argument(\"--backbone_noise\", type=float, default=0.2, help=\"amount of noise added to backbone during training\") \n", + "# argparser.add_argument(\"--rescut\", type=float, default=3.5, help=\"PDB resolution cutoff\")\n", + "# argparser.add_argument(\"--debug\", type=bool, default=False, help=\"minimal data loading for debugging\")\n", + "# argparser.add_argument(\"--gradient_norm\", type=float, default=-1.0, help=\"clip gradient norm, set to negative to omit clipping\")\n", + "# argparser.add_argument(\"--mixed_precision\", type=bool, default=True, help=\"train with mixed precision\")\n", + "\n", + "# args = argparser.parse_args() \n", + "# main(args)\n", + "\n", + "class MyArgs(object):\n", + " def __init__(self):\n", + " self.path_for_training_data = \"/content/pdb_2021aug02_sample\"\n", + " self.path_for_outputs = \"/content/test\"\n", + " self.previous_checkpoint = \"\"\n", + " self.num_epochs = 50\n", + " self.save_model_every_n_epochs = 5\n", + " self.reload_data_every_n_epochs = 4\n", + " self.num_examples_per_epoch = 200\n", + " self.batch_size = 2000\n", + " self.max_protein_length = 2000\n", + " self.hidden_dim = 128\n", + " self.num_encoder_layers = 3\n", + " self.num_decoder_layers = 3\n", + " self.num_neighbors = 32\n", + " self.dropout = 0.1\n", + " self.backbone_noise = 0.1\n", + " self.rescut = 3.5\n", + " self.debug = False\n", + " self.gradient_norm = -1.0 #no norm\n", + " self.mixed_precision= True \n", + "\n", + "args = MyArgs()" + ], + "metadata": { + "id": "mks1E1FTXGXL" + }, + "execution_count": 13, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "#epoch - number of times data is trained on\n", + "#step - number of optimizer steps\n", + "#time - time in seconds for one epoch to finish\n", + "#train - training perplexity = exp(average categorical cross entropy)\n", + "#valid - validation perplexity\n", + "#train_acc - training accuracy\n", + "#valid_acc - validation accuracy" + ], + "metadata": { + "id": "6csB6zUrbcAH" + }, + "execution_count": 15, + "outputs": [] + }, + { + "cell_type": "code", + "source": [ + "run_training(args)" + ], + "metadata": { + "colab": { + "base_uri": "https://localhost:8080/" + }, + "id": "68wFaZ0IXHzj", + "outputId": "52c84f9e-599b-4ca4-b46f-25170828a310" + }, + "execution_count": 14, + "outputs": [ + { + "output_type": "stream", + "name": "stderr", + "text": [ + "/usr/local/lib/python3.7/dist-packages/torch/utils/data/dataloader.py:566: UserWarning: This DataLoader will create 4 worker processes in total. Our suggested max number of worker in current system is 2, which is smaller than what this DataLoader is going to create. Please be aware that excessive worker creation might get DataLoader running slow or even freeze, lower the worker number to avoid potential slowness/freeze if necessary.\n", + " cpuset_checked))\n", + "/usr/local/lib/python3.7/dist-packages/torch/utils/checkpoint.py:25: UserWarning: None of the inputs have requires_grad=True. Gradients will be None\n", + " warnings.warn(\"None of the inputs have requires_grad=True. Gradients will be None\")\n" + ] + }, + { + "output_type": "stream", + "name": "stdout", + "text": [ + "epoch: 1, step: 4, time: 1.3, train: 32.478, valid: 26.652, train_acc: 0.057, valid_acc: 0.060\n", + "epoch: 2, step: 8, time: 1.4, train: 31.076, valid: 24.790, train_acc: 0.056, valid_acc: 0.067\n", + "epoch: 3, step: 12, time: 0.9, train: 28.561, valid: 22.354, train_acc: 0.058, valid_acc: 0.075\n", + "epoch: 4, step: 16, time: 0.9, train: 25.958, valid: 20.493, train_acc: 0.063, valid_acc: 0.090\n", + "epoch: 5, step: 22, time: 1.6, train: 23.583, valid: 19.557, train_acc: 0.065, valid_acc: 0.114\n", + "epoch: 6, step: 28, time: 1.5, train: 21.809, valid: 19.653, train_acc: 0.069, valid_acc: 0.104\n", + "epoch: 7, step: 34, time: 1.5, train: 20.483, valid: 19.440, train_acc: 0.074, valid_acc: 0.105\n", + "epoch: 8, step: 40, time: 1.2, train: 19.474, valid: 19.000, train_acc: 0.097, valid_acc: 0.122\n", + "epoch: 9, step: 46, time: 2.0, train: 19.268, valid: 17.082, train_acc: 0.093, valid_acc: 0.116\n", + "epoch: 10, step: 52, time: 2.3, train: 18.658, valid: 16.812, train_acc: 0.097, valid_acc: 0.109\n", + "epoch: 11, step: 58, time: 2.3, train: 18.158, valid: 16.962, train_acc: 0.105, valid_acc: 0.120\n", + "epoch: 12, step: 64, time: 1.7, train: 17.705, valid: 16.780, train_acc: 0.109, valid_acc: 0.120\n", + "epoch: 13, step: 69, time: 32.2, train: 18.135, valid: 16.984, train_acc: 0.105, valid_acc: 0.116\n", + "epoch: 14, step: 74, time: 1.9, train: 18.008, valid: 17.287, train_acc: 0.106, valid_acc: 0.120\n", + "epoch: 15, step: 79, time: 2.0, train: 17.833, valid: 17.172, train_acc: 0.118, valid_acc: 0.111\n", + "epoch: 16, step: 84, time: 1.7, train: 17.451, valid: 16.884, train_acc: 0.119, valid_acc: 0.115\n", + "epoch: 17, step: 90, time: 3.0, train: 18.145, valid: 17.919, train_acc: 0.111, valid_acc: 0.129\n", + "epoch: 18, step: 96, time: 2.8, train: 17.651, valid: 17.883, train_acc: 0.103, valid_acc: 0.103\n", + "epoch: 19, step: 102, time: 2.0, train: 17.608, valid: 17.774, train_acc: 0.104, valid_acc: 0.126\n", + "epoch: 20, step: 108, time: 2.3, train: 17.374, valid: 18.082, train_acc: 0.114, valid_acc: 0.132\n", + "epoch: 21, step: 114, time: 31.8, train: 17.079, valid: 18.081, train_acc: 0.123, valid_acc: 0.117\n", + "epoch: 22, step: 120, time: 2.5, train: 16.938, valid: 18.005, train_acc: 0.130, valid_acc: 0.133\n", + "epoch: 23, step: 126, time: 1.6, train: 16.719, valid: 18.174, train_acc: 0.123, valid_acc: 0.116\n", + "epoch: 24, step: 132, time: 1.2, train: 16.580, valid: 17.844, train_acc: 0.129, valid_acc: 0.136\n", + "epoch: 25, step: 139, time: 2.6, train: 16.797, valid: 15.777, train_acc: 0.118, valid_acc: 0.125\n", + "epoch: 26, step: 146, time: 2.7, train: 16.433, valid: 15.730, train_acc: 0.125, valid_acc: 0.134\n", + "epoch: 27, step: 153, time: 1.8, train: 16.127, valid: 15.673, train_acc: 0.127, valid_acc: 0.135\n", + "epoch: 28, step: 160, time: 1.8, train: 15.798, valid: 15.235, train_acc: 0.124, valid_acc: 0.148\n", + "epoch: 29, step: 166, time: 31.4, train: 16.003, valid: 15.344, train_acc: 0.139, valid_acc: 0.146\n", + "epoch: 30, step: 172, time: 2.7, train: 15.639, valid: 15.524, train_acc: 0.146, valid_acc: 0.133\n", + "epoch: 31, step: 178, time: 1.9, train: 15.546, valid: 14.927, train_acc: 0.142, valid_acc: 0.153\n", + "epoch: 32, step: 184, time: 1.7, train: 15.215, valid: 15.001, train_acc: 0.155, valid_acc: 0.155\n", + "epoch: 33, step: 190, time: 4.9, train: 15.418, valid: 15.358, train_acc: 0.144, valid_acc: 0.137\n", + "epoch: 34, step: 196, time: 3.2, train: 15.255, valid: 14.912, train_acc: 0.144, valid_acc: 0.152\n", + "epoch: 35, step: 202, time: 1.9, train: 14.925, valid: 14.894, train_acc: 0.153, valid_acc: 0.156\n", + "epoch: 36, step: 208, time: 2.0, train: 14.736, valid: 14.729, train_acc: 0.154, valid_acc: 0.168\n", + "epoch: 37, step: 214, time: 32.7, train: 14.467, valid: 17.068, train_acc: 0.152, valid_acc: 0.140\n", + "epoch: 38, step: 220, time: 2.8, train: 14.410, valid: 16.987, train_acc: 0.158, valid_acc: 0.122\n", + "epoch: 39, step: 226, time: 2.0, train: 14.101, valid: 16.935, train_acc: 0.162, valid_acc: 0.123\n", + "epoch: 40, step: 232, time: 2.4, train: 14.034, valid: 17.452, train_acc: 0.168, valid_acc: 0.131\n", + "epoch: 41, step: 237, time: 4.0, train: 15.268, valid: 16.151, train_acc: 0.158, valid_acc: 0.147\n", + "epoch: 42, step: 242, time: 2.2, train: 15.403, valid: 16.473, train_acc: 0.147, valid_acc: 0.148\n", + "epoch: 43, step: 247, time: 1.6, train: 15.008, valid: 17.016, train_acc: 0.161, valid_acc: 0.129\n", + "epoch: 44, step: 252, time: 2.0, train: 14.492, valid: 16.040, train_acc: 0.168, valid_acc: 0.152\n", + "epoch: 45, step: 258, time: 32.4, train: 14.046, valid: 14.339, train_acc: 0.172, valid_acc: 0.161\n", + "epoch: 46, step: 264, time: 2.4, train: 13.564, valid: 13.959, train_acc: 0.179, valid_acc: 0.156\n", + "epoch: 47, step: 270, time: 1.8, train: 13.514, valid: 14.189, train_acc: 0.181, valid_acc: 0.151\n", + "epoch: 48, step: 276, time: 1.5, train: 13.257, valid: 13.961, train_acc: 0.180, valid_acc: 0.160\n", + "epoch: 49, step: 281, time: 4.1, train: 13.741, valid: 16.552, train_acc: 0.176, valid_acc: 0.154\n", + "epoch: 50, step: 286, time: 2.2, train: 13.157, valid: 17.389, train_acc: 0.180, valid_acc: 0.130\n" + ] + } + ] + } + ] +} \ No newline at end of file diff --git a/ProteinMPNN/training/exp_020/log.txt b/ProteinMPNN/training/exp_020/log.txt new file mode 100644 index 0000000000000000000000000000000000000000..e97323f7cac2cf997cfc2b46cf6ec74c290f8941 --- /dev/null +++ b/ProteinMPNN/training/exp_020/log.txt @@ -0,0 +1,29 @@ +Epoch Train Validation +epoch: 1, step: 74, time: 45.7, train: 23.565, valid: 17.468, train_acc: 0.072, valid_acc: 0.113 +epoch: 2, step: 148, time: 36.1, train: 17.790, valid: 15.872, train_acc: 0.108, valid_acc: 0.133 +epoch: 3, step: 221, time: 41.2, train: 16.398, valid: 14.980, train_acc: 0.128, valid_acc: 0.154 +epoch: 4, step: 294, time: 39.3, train: 15.417, valid: 15.041, train_acc: 0.148, valid_acc: 0.153 +epoch: 5, step: 369, time: 40.8, train: 14.736, valid: 13.124, train_acc: 0.167, valid_acc: 0.202 +epoch: 6, step: 444, time: 39.7, train: 13.954, valid: 12.683, train_acc: 0.187, valid_acc: 0.209 +epoch: 7, step: 515, time: 41.2, train: 13.665, valid: 12.079, train_acc: 0.193, valid_acc: 0.229 +epoch: 8, step: 586, time: 39.6, train: 13.105, valid: 11.938, train_acc: 0.208, valid_acc: 0.237 +epoch: 9, step: 656, time: 41.0, train: 12.714, valid: 11.232, train_acc: 0.219, valid_acc: 0.248 +epoch: 10, step: 726, time: 37.7, train: 12.391, valid: 11.386, train_acc: 0.225, valid_acc: 0.249 +epoch: 11, step: 796, time: 39.2, train: 12.098, valid: 10.990, train_acc: 0.231, valid_acc: 0.261 +epoch: 12, step: 866, time: 37.0, train: 11.845, valid: 10.554, train_acc: 0.238, valid_acc: 0.267 +epoch: 13, step: 940, time: 42.0, train: 11.742, valid: 10.673, train_acc: 0.240, valid_acc: 0.270 +epoch: 14, step: 1014, time: 38.7, train: 11.503, valid: 10.455, train_acc: 0.245, valid_acc: 0.271 +epoch: 15, step: 1089, time: 42.3, train: 11.284, valid: 10.303, train_acc: 0.251, valid_acc: 0.278 +epoch: 16, step: 1164, time: 40.1, train: 11.335, valid: 9.982, train_acc: 0.249, valid_acc: 0.285 +epoch: 17, step: 1239, time: 43.7, train: 10.959, valid: 9.796, train_acc: 0.260, valid_acc: 0.292 +epoch: 18, step: 1314, time: 36.3, train: 10.726, valid: 9.472, train_acc: 0.265, valid_acc: 0.301 +epoch: 19, step: 1383, time: 44.5, train: 10.730, valid: 9.604, train_acc: 0.267, valid_acc: 0.295 +epoch: 20, step: 1452, time: 34.0, train: 10.583, valid: 9.378, train_acc: 0.270, valid_acc: 0.305 +epoch: 21, step: 1522, time: 41.2, train: 10.396, valid: 9.458, train_acc: 0.275, valid_acc: 0.304 +epoch: 22, step: 1592, time: 37.0, train: 10.324, valid: 9.444, train_acc: 0.277, valid_acc: 0.301 +epoch: 23, step: 1662, time: 39.9, train: 10.250, valid: 9.518, train_acc: 0.278, valid_acc: 0.302 +epoch: 24, step: 1732, time: 38.0, train: 10.092, valid: 9.048, train_acc: 0.284, valid_acc: 0.315 +epoch: 25, step: 1808, time: 46.0, train: 10.221, valid: 8.969, train_acc: 0.279, valid_acc: 0.322 +epoch: 26, step: 1884, time: 36.7, train: 10.010, valid: 8.876, train_acc: 0.285, valid_acc: 0.320 +epoch: 27, step: 1959, time: 43.3, train: 10.013, valid: 8.652, train_acc: 0.286, valid_acc: 0.328 +epoch: 28, step: 2034, time: 40.4, train: 9.694, valid: 8.779, train_acc: 0.296, valid_acc: 0.324 diff --git a/ProteinMPNN/training/exp_020/model_weights/epoch_last.pt b/ProteinMPNN/training/exp_020/model_weights/epoch_last.pt new file mode 100644 index 0000000000000000000000000000000000000000..047a3a88a49ba1df4513350f8841f6f918812491 --- /dev/null +++ b/ProteinMPNN/training/exp_020/model_weights/epoch_last.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2815be0f0981086c3c104b7a2e3df44a955925b2b9d4a53eb62635b89e94f929 +size 20036029 diff --git a/ProteinMPNN/training/model_utils.py b/ProteinMPNN/training/model_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..673291f4b17d1c75c9c46072f692fab390378b08 --- /dev/null +++ b/ProteinMPNN/training/model_utils.py @@ -0,0 +1,512 @@ +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 torch.utils +import torch.utils.checkpoint + +import copy +import torch.nn as nn +import torch.nn.functional as F +import random +import itertools + + +def featurize(batch, device): + 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) #residue idx with jumps across chains + chain_M = np.zeros([B, L_max], dtype=np.int32) #1.0 for the bits that need to be predicted, 0.0 for the bits that are given + mask_self = np.ones([B, L_max, L_max], dtype=np.int32) #for interface loss calculation - 0.0 for self interaction, 1.0 for other + chain_encoding_all = np.zeros([B, L_max], dtype=np.int32) #integer encoding for chains 0, 0, 0,...0, 1, 1,..., 1, 2, 2, 2... + S = np.zeros([B, L_max], dtype=np.int32) #sequence AAs integers + 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_letters = init_alphabet + extra_alphabet + for i, b in enumerate(batch): + masked_chains = b['masked_list'] + visible_chains = b['visible_list'] + all_chains = masked_chains + visible_chains + visible_temp_dict = {} + masked_temp_dict = {} + for step, letter in enumerate(all_chains): + chain_seq = b[f'seq_chain_{letter}'] + if letter in visible_chains: + visible_temp_dict[letter] = chain_seq + elif letter in masked_chains: + masked_temp_dict[letter] = chain_seq + for km, vm in masked_temp_dict.items(): + for kv, vv in visible_temp_dict.items(): + if vm == vv: + if kv not in masked_chains: + masked_chains.append(kv) + if kv in visible_chains: + visible_chains.remove(kv) + all_chains = masked_chains + visible_chains + random.shuffle(all_chains) #randomly shuffle chain order + num_chains = b['num_of_chains'] + mask_dict = {} + x_chain_list = [] + chain_mask_list = [] + chain_seq_list = [] + chain_encoding_list = [] + c = 1 + l0 = 0 + l1 = 0 + for step, letter in enumerate(all_chains): + if letter in visible_chains: + chain_seq = b[f'seq_chain_{letter}'] + chain_length = len(chain_seq) + 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_length,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 + mask_self[i, l0:l1, l0:l1] = np.zeros([chain_length, chain_length]) + residue_idx[i, l0:l1] = 100*(c-1)+np.arange(l0, l1) + l0 += chain_length + c+=1 + elif letter in masked_chains: + chain_seq = b[f'seq_chain_{letter}'] + chain_length = len(chain_seq) + chain_coords = b[f'coords_chain_{letter}'] #this is a dictionary + chain_mask = np.ones(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 + mask_self[i, l0:l1, l0:l1] = np.zeros([chain_length, chain_length]) + residue_idx[i, l0:l1] = 100*(c-1)+np.arange(l0, l1) + l0 += chain_length + c+=1 + 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) + + 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, )) + chain_M[i,:] = m_pad + + chain_encoding_pad = np.pad(chain_encoding, [[0,L_max-l]], 'constant', constant_values=(0.0, )) + chain_encoding_all[i,:] = chain_encoding_pad + + # Convert to labels + indices = np.asarray([alphabet.index(a) for a in all_sequence], dtype=np.int32) + S[i, :l] = indices + + isnan = np.isnan(X) + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) + X[isnan] = 0. + + # Conversion + 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) + mask_self = torch.from_numpy(mask_self).to(dtype=torch.float32, device=device) + chain_M = torch.from_numpy(chain_M).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, residue_idx, mask_self, chain_encoding_all + + +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()) + S_argmaxed = torch.argmax(log_probs,-1) #[B, L] + true_false = (S == S_argmaxed).float() + loss_av = torch.sum(loss * mask) / torch.sum(mask) + return loss, loss_av, true_false + + +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) / 2000.0 #fixed + return loss, loss_av + + +# 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.training and 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=21, node_features=128, edge_features=128, + hidden_dim=128, num_encoder_layers=3, num_decoder_layers=3, + vocab=21, k_neighbors=32, augment_eps=0.1, dropout=0.1): + super(ProteinMPNN, self).__init__() + + # Hyperparameters + self.node_features = node_features + self.edge_features = edge_features + self.hidden_dim = hidden_dim + + 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): + """ 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 = torch.utils.checkpoint.checkpoint(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 + decoding_order = torch.argsort((chain_M+0.0001)*(torch.abs(torch.randn(chain_M.shape, device=device)))) #[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: + h_ESV = cat_neighbors_nodes(h_V, h_ES, E_idx) + h_ESV = mask_bw * h_ESV + h_EXV_encoder_fw + h_V = torch.utils.checkpoint.checkpoint(layer, h_V, h_ESV, mask) + + logits = self.W_out(h_V) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs + + + +class NoamOpt: + "Optim wrapper that implements rate." + def __init__(self, model_size, factor, warmup, optimizer, step): + self.optimizer = optimizer + self._step = step + self.warmup = warmup + self.factor = factor + self.model_size = model_size + self._rate = 0 + + @property + def param_groups(self): + """Return param_groups.""" + return self.optimizer.param_groups + + def step(self): + "Update parameters and rate" + self._step += 1 + rate = self.rate() + for p in self.optimizer.param_groups: + p['lr'] = rate + self._rate = rate + self.optimizer.step() + + def rate(self, step = None): + "Implement `lrate` above" + if step is None: + step = self._step + return self.factor * \ + (self.model_size ** (-0.5) * + min(step ** (-0.5), step * self.warmup ** (-1.5))) + + def zero_grad(self): + self.optimizer.zero_grad() + +def get_std_opt(parameters, d_model, step): + return NoamOpt( + d_model, 2, 4000, torch.optim.Adam(parameters, lr=0, betas=(0.9, 0.98), eps=1e-9), step + ) diff --git a/ProteinMPNN/training/parse_cif_noX.py b/ProteinMPNN/training/parse_cif_noX.py new file mode 100644 index 0000000000000000000000000000000000000000..1c4b3c5fcc4e72a1786e3773d4051d0d7069dc58 --- /dev/null +++ b/ProteinMPNN/training/parse_cif_noX.py @@ -0,0 +1,488 @@ +import pdbx +from pdbx.reader.PdbxReader import PdbxReader +from pdbx.reader.PdbxContainers import DataCategory +import gzip +import numpy as np +import torch +import os,sys +import glob +import re +from scipy.spatial import KDTree +from itertools import combinations,permutations +import tempfile +import subprocess + +RES_NAMES = [ + 'ALA','ARG','ASN','ASP','CYS', + 'GLN','GLU','GLY','HIS','ILE', + 'LEU','LYS','MET','PHE','PRO', + 'SER','THR','TRP','TYR','VAL' +] + +RES_NAMES_1 = 'ARNDCQEGHILKMFPSTWYV' + +to1letter = {aaa:a for a,aaa in zip(RES_NAMES_1,RES_NAMES)} +to3letter = {a:aaa for a,aaa in zip(RES_NAMES_1,RES_NAMES)} + +ATOM_NAMES = [ + ("N", "CA", "C", "O", "CB"), # ala + ("N", "CA", "C", "O", "CB", "CG", "CD", "NE", "CZ", "NH1", "NH2"), # arg + ("N", "CA", "C", "O", "CB", "CG", "OD1", "ND2"), # asn + ("N", "CA", "C", "O", "CB", "CG", "OD1", "OD2"), # asp + ("N", "CA", "C", "O", "CB", "SG"), # cys + ("N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "NE2"), # gln + ("N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "OE2"), # glu + ("N", "CA", "C", "O"), # gly + ("N", "CA", "C", "O", "CB", "CG", "ND1", "CD2", "CE1", "NE2"), # his + ("N", "CA", "C", "O", "CB", "CG1", "CG2", "CD1"), # ile + ("N", "CA", "C", "O", "CB", "CG", "CD1", "CD2"), # leu + ("N", "CA", "C", "O", "CB", "CG", "CD", "CE", "NZ"), # lys + ("N", "CA", "C", "O", "CB", "CG", "SD", "CE"), # met + ("N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ"), # phe + ("N", "CA", "C", "O", "CB", "CG", "CD"), # pro + ("N", "CA", "C", "O", "CB", "OG"), # ser + ("N", "CA", "C", "O", "CB", "OG1", "CG2"), # thr + ("N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE2", "CE3", "NE1", "CZ2", "CZ3", "CH2"), # trp + ("N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "OH"), # tyr + ("N", "CA", "C", "O", "CB", "CG1", "CG2") # val +] + +idx2ra = {(RES_NAMES_1[i],j):(RES_NAMES[i],a) for i in range(20) for j,a in enumerate(ATOM_NAMES[i])} + +aa2idx = {(r,a):i for r,atoms in zip(RES_NAMES,ATOM_NAMES) + for i,a in enumerate(atoms)} +aa2idx.update({(r,'OXT'):3 for r in RES_NAMES}) + + +def writepdb(f, xyz, seq, bfac=None): + + #f = open(filename,"w") + f.seek(0) + + ctr = 1 + seq = str(seq) + L = len(seq) + + if bfac is None: + bfac = np.zeros((L)) + + idx = [] + for i in range(L): + for j,xyz_ij in enumerate(xyz[i]): + key = (seq[i],j) + if key not in idx2ra.keys(): + continue + if np.isnan(xyz_ij).sum()>0: + continue + r,a = idx2ra[key] + f.write ("%-6s%5s %4s %3s %s%4d %8.3f%8.3f%8.3f%6.2f%6.2f\n"%( + "ATOM", ctr, a, r, + "A", i+1, xyz_ij[0], xyz_ij[1], xyz_ij[2], + 1.0, bfac[i,j] ) ) + if a == 'CA': + idx.append(i) + ctr += 1 + + #f.close() + f.flush() + + return np.array(idx) + + +def TMalign(chainA, chainB): + + # temp files to save the two input protein chains + # and TMalign transformation + fA = tempfile.NamedTemporaryFile(mode='w+t', dir='/dev/shm') + fB = tempfile.NamedTemporaryFile(mode='w+t', dir='/dev/shm') + mtx = tempfile.NamedTemporaryFile(mode='w+t', dir='/dev/shm') + + # create temp PDB files keep track of residue indices which were saved + idxA = writepdb(fA, chainA['xyz'], chainA['seq'], bfac=chainA['bfac']) + idxB = writepdb(fB, chainB['xyz'], chainB['seq'], bfac=chainB['bfac']) + + # run TMalign + tm = subprocess.Popen('/home/aivan/prog/TMalign %s %s -m %s'%(fA.name, fB.name, mtx.name), + shell=True, + stdout=subprocess.PIPE, + stderr=subprocess.PIPE, + encoding='utf-8') + stdout,stderr = tm.communicate() + lines = stdout.split('\n') + + # if TMalign failed + if len(stderr) > 0: + return None,None + + # parse transformation + mtx.seek(0) + tu = np.fromstring(''.join(l[2:] for l in mtx.readlines()[2:5]), + dtype=float, sep=' ').reshape((3,4)) + t = tu[:,0] + u = tu[:,1:] + + # parse rmsd, sequence identity, and two TM-scores + rmsd = float(lines[16].split()[4][:-1]) + seqid = float(lines[16].split()[-1]) + tm1 = float(lines[17].split()[1]) + tm2 = float(lines[18].split()[1]) + + # parse alignment + seq1 = lines[-5] + seq2 = lines[-3] + + ss1 = np.array(list(seq1.strip()))!='-' + ss2 = np.array(list(seq2.strip()))!='-' + #print(ss1) + #print(ss2) + mask = np.logical_and(ss1, ss2) + + alnAB = np.stack((idxA[(np.cumsum(ss1)-1)[mask]], + idxB[(np.cumsum(ss2)-1)[mask]])) + + alnBA = np.stack((alnAB[1],alnAB[0])) + + # clean up + fA.close() + fB.close() + mtx.close() + + resAB = {'rmsd':rmsd, 'seqid':seqid, 'tm':tm1, 'aln':alnAB, 't':t, 'u':u} + resBA = {'rmsd':rmsd, 'seqid':seqid, 'tm':tm2, 'aln':alnBA, 't':-u.T@t, 'u':u.T} + + return resAB,resBA + + +def get_tm_pairs(chains): + """run TM-align for all pairs of chains""" + + tm_pairs = {} + for A,B in combinations(chains.keys(),r=2): + resAB,resBA = TMalign(chains[A],chains[B]) + #if resAB is None: + # continue + tm_pairs.update({(A,B):resAB}) + tm_pairs.update({(B,A):resBA}) + + # add self-alignments + for A in chains.keys(): + L = chains[A]['xyz'].shape[0] + aln = np.arange(L)[chains[A]['mask'][:,1]] + aln = np.stack((aln,aln)) + tm_pairs.update({(A,A):{'rmsd':0.0, 'seqid':1.0, 'tm':1.0, 'aln':aln}}) + + return tm_pairs + + + +def parseOperationExpression(expression) : + + expression = expression.strip('() ') + operations = [] + for e in expression.split(','): + e = e.strip() + pos = e.find('-') + if pos>0: + start = int(e[0:pos]) + stop = int(e[pos+1:]) + operations.extend([str(i) for i in range(start,stop+1)]) + else: + operations.append(e) + + return operations + + +def parseAssemblies(data,chids): + + xforms = {'asmb_chains' : None, + 'asmb_details' : None, + 'asmb_method' : None, + 'asmb_ids' : None} + + assembly_data = data.getObj("pdbx_struct_assembly") + assembly_gen = data.getObj("pdbx_struct_assembly_gen") + oper_list = data.getObj("pdbx_struct_oper_list") + + if (assembly_data is None) or (assembly_gen is None) or (oper_list is None): + return xforms + + # save all basic transformations in a dictionary + opers = {} + for k in range(oper_list.getRowCount()): + key = oper_list.getValue("id", k) + val = np.eye(4) + for i in range(3): + val[i,3] = float(oper_list.getValue("vector[%d]"%(i+1), k)) + for j in range(3): + val[i,j] = float(oper_list.getValue("matrix[%d][%d]"%(i+1,j+1), k)) + opers.update({key:val}) + + + chains,details,method,ids = [],[],[],[] + + for index in range(assembly_gen.getRowCount()): + + # Retrieve the assembly_id attribute value for this assembly + assemblyId = assembly_gen.getValue("assembly_id", index) + ids.append(assemblyId) + + # Retrieve the operation expression for this assembly from the oper_expression attribute + oper_expression = assembly_gen.getValue("oper_expression", index) + + oper_list = [parseOperationExpression(expression) + for expression in re.split('\(|\)', oper_expression) if expression] + + # chain IDs which the transform should be applied to + chains.append(assembly_gen.getValue("asym_id_list", index)) + + index_asmb = min(index,assembly_data.getRowCount()-1) + details.append(assembly_data.getValue("details", index_asmb)) + method.append(assembly_data.getValue("method_details", index_asmb)) + + # + if len(oper_list)==1: + xform = np.stack([opers[o] for o in oper_list[0]]) + elif len(oper_list)==2: + xform = np.stack([opers[o1]@opers[o2] + for o1 in oper_list[0] + for o2 in oper_list[1]]) + + else: + print('Error in processing assembly') + return xforms + + xforms.update({'asmb_xform%d'%(index):xform}) + + xforms['asmb_chains'] = chains + xforms['asmb_details'] = details + xforms['asmb_method'] = method + xforms['asmb_ids'] = ids + + return xforms + + +def parse_mmcif(filename): + + #print(filename) + + chains = {} # 'chain_id' -> chain_strucure + + # read a gzipped .cif file + data = [] + with gzip.open(filename,'rt') as cif: + reader = PdbxReader(cif) + reader.read(data) + data = data[0] + + # + # get sequences + # + + # map chain entity to chain ID + entity_poly = data.getObj('entity_poly') + if entity_poly is None: + return {},{} + + pdbx_poly_seq_scheme = data.getObj('pdbx_poly_seq_scheme') + pdb2asym = dict({ + (r[pdbx_poly_seq_scheme.getIndex('pdb_strand_id')], + r[pdbx_poly_seq_scheme.getIndex('asym_id')]) + for r in data.getObj('pdbx_poly_seq_scheme').getRowList() + }) + + chs2num = {pdb2asym[ch]:r[entity_poly.getIndex('entity_id')] + for r in entity_poly.getRowList() + for ch in r[entity_poly.getIndex('pdbx_strand_id')].split(',') + if r[entity_poly.getIndex('type')]=='polypeptide(L)'} + + # get canonical sequences for polypeptide chains + num2seq = {r[entity_poly.getIndex('entity_id')]:r[entity_poly.getIndex('pdbx_seq_one_letter_code_can')].replace('\n','') + for r in entity_poly.getRowList() + if r[entity_poly.getIndex('type')]=='polypeptide(L)'} + + # map chain entity to amino acid sequence + #entity_poly_seq = data.getObj('entity_poly_seq') + #num2seq = dict.fromkeys(set(chs2num.values()), "") + #for row in entity_poly_seq.getRowList(): + # num = row[entity_poly_seq.getIndex('entity_id')] + # res = row[entity_poly_seq.getIndex('mon_id')] + # if num not in num2seq.keys(): + # continue + # num2seq[num] += (to1letter[res] if res in to1letter.keys() else 'X') + + # modified residues + pdbx_struct_mod_residue = data.getObj('pdbx_struct_mod_residue') + if pdbx_struct_mod_residue is None: + modres = {} + else: + modres = dict({(r[pdbx_struct_mod_residue.getIndex('label_comp_id')], + r[pdbx_struct_mod_residue.getIndex('parent_comp_id')]) + for r in pdbx_struct_mod_residue.getRowList()}) + for k,v in modres.items(): + print("# non-standard residue: %s %s"%(k,v)) + + # initialize dict of chains + for c,n in chs2num.items(): + seq = num2seq[n] + L = len(seq) + chains.update({c : {'seq' : seq, + 'xyz' : np.full((L,14,3),np.nan,dtype=np.float32), + 'mask' : np.zeros((L,14),dtype=bool), + 'bfac' : np.full((L,14),np.nan,dtype=np.float32), + 'occ' : np.zeros((L,14),dtype=np.float32) }}) + + + # + # populate structures + # + + # get indices of fields of interest + atom_site = data.getObj('atom_site') + i = {k:atom_site.getIndex(val) for k,val in [('atm', 'label_atom_id'), # atom name + ('atype', 'type_symbol'), # atom chemical type + ('res', 'label_comp_id'), # residue name (3-letter) + #('chid', 'auth_asym_id'), # chain ID + ('chid', 'label_asym_id'), # chain ID + ('num', 'label_seq_id'), # sequence number + ('alt', 'label_alt_id'), # alternative location ID + ('x', 'Cartn_x'), # xyz coords + ('y', 'Cartn_y'), + ('z', 'Cartn_z'), + ('occ', 'occupancy'), # occupancy + ('bfac', 'B_iso_or_equiv'), # B-factors + ('model', 'pdbx_PDB_model_num') # model number (for multi-model PDBs, e.g. NMR) + ]} + + for a in atom_site.getRowList(): + + # skip HETATM + #if a[0] != 'ATOM': + # continue + + # skip hydrogens + if a[i['atype']] == 'H': + continue + + # skip if not a polypeptide + if a[i['chid']] not in chains.keys(): + continue + + # parse atom + atm, res, chid, num, alt, x, y, z, occ, Bfac, model = \ + (t(a[i[k]]) for k,t in (('atm',str), ('res',str), ('chid',str), + ('num',int), ('alt',str), + ('x',float), ('y',float), ('z',float), + ('occ',float), ('bfac',float), ('model',int))) + + + #print(atm, res, chid, num, alt, x, y, z, occ, Bfac, model) + c = chains[chid] + + # remap residue to canonical + a = c['seq'][num-1] + if a in to3letter.keys(): + res = to3letter[a] + else: + if res in modres.keys() and modres[res] in to1letter.keys(): + res = modres[res] + c['seq'] = c['seq'][:num-1] + to1letter[res] + c['seq'][num:] + else: + res = 'GLY' + + # skip if not a standard residue/atom + if (res,atm) not in aa2idx.keys(): + continue + + # skip everything except model #1 + if model > 1: + continue + + # populate chians using max occup atoms + idx = (num-1, aa2idx[(res,atm)]) + if occ > c['occ'][idx]: + c['xyz'][idx] = [x,y,z] + c['mask'][idx] = True + c['occ'][idx] = occ + c['bfac'][idx] = Bfac + + # + # metadata + # + #if data.getObj('reflns') is not None: + # res = data.getObj('reflns').getValue('d_resolution_high',0) + res = None + if data.getObj('refine') is not None: + try: + res = float(data.getObj('refine').getValue('ls_d_res_high',0)) + except: + res = None + + if (data.getObj('em_3d_reconstruction') is not None) and (res is None): + try: + res = float(data.getObj('em_3d_reconstruction').getValue('resolution',0)) + except: + res = None + + chids = list(chains.keys()) + seq = [] + for ch in chids: + mask = chains[ch]['mask'][:,:3].sum(1)==3 + ref_seq = chains[ch]['seq'] + atom_seq = ''.join([a if m else '-' for a,m in zip(ref_seq,mask)]) + seq.append([ref_seq,atom_seq]) + + metadata = { + 'method' : data.getObj('exptl').getValue('method',0).replace(' ','_'), + 'date' : data.getObj('pdbx_database_status').getValue('recvd_initial_deposition_date',0), + 'resolution' : res, + 'chains' : chids, + 'seq' : seq, + 'id' : data.getObj('entry').getValue('id',0) + } + + + # + # assemblies + # + + asmbs = parseAssemblies(data,chains) + metadata.update(asmbs) + + return chains, metadata + + +IN = sys.argv[1] +OUT = sys.argv[2] + +chains,metadata = parse_mmcif(IN) +ID = metadata['id'] + +tm_pairs = get_tm_pairs(chains) +if 'chains' in metadata.keys() and len(metadata['chains'])>0: + chids = metadata['chains'] + tm = [] + for a in chids: + tm_a = [] + for b in chids: + tm_ab = tm_pairs[(a,b)] + if tm_ab is None: + tm_a.append([0.0,0.0,999.9]) + else: + tm_a.append([tm_ab[k] for k in ['tm','seqid','rmsd']]) + tm.append(tm_a) + metadata.update({'tm':tm}) + +for k,v in chains.items(): + nres = (v['mask'][:,:3].sum(1)==3).sum() + print(">%s_%s %s %s %s %d %d\n%s"%(ID,k,metadata['date'],metadata['method'], + metadata['resolution'],len(v['seq']),nres,v['seq'])) + + torch.save({kc:torch.Tensor(vc) if kc!='seq' else str(vc) + for kc,vc in v.items()}, f"{OUT}_{k}.pt") + +meta_pt = {} +for k,v in metadata.items(): + if "asmb_xform" in k or k=="tm": + v = torch.Tensor(v) + meta_pt.update({k:v}) +torch.save(meta_pt, f"{OUT}.pt") diff --git a/ProteinMPNN/training/plot_training_results.ipynb b/ProteinMPNN/training/plot_training_results.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..e15f3219708a9dd7657f8be725a177d1cc1ba0a7 --- /dev/null +++ b/ProteinMPNN/training/plot_training_results.ipynb @@ -0,0 +1,193 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 1, + "id": "2e419712", + "metadata": {}, + "outputs": [], + "source": [ + "import re\n", + "import numpy as np\n", + "import matplotlib.pyplot as plt\n", + "plt.rcParams['font.size'] = 20 \n", + "import json\n", + "import random" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "6057b30a", + "metadata": {}, + "outputs": [], + "source": [ + "def running_mean(x, N):\n", + " cumsum = np.cumsum(np.insert(x, 0, 0)) \n", + " return (cumsum[N:] - cumsum[:-N]) / float(N)" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "26f98407", + "metadata": {}, + "outputs": [], + "source": [ + "def get_results(txt_file, number=15):\n", + " # Using readlines()\n", + " file1 = open(txt_file, 'r')\n", + " Lines = file1.readlines()\n", + " results = []\n", + " for line in Lines:\n", + " if line[0] == 'e':\n", + " result_1 = [_.start() for _ in re.finditer(':', line)] \n", + " result_2 = [_.start() for _ in re.finditer(',', line)] + [-3]\n", + " bla = []\n", + " for i in range(number):\n", + " if i == number-1:\n", + " bla.append(float(line[result_1[i]+2:]))\n", + " else:\n", + " bla.append(float(line[result_1[i]+2:result_2[i]]))\n", + " \n", + " \n", + " results.append(bla)\n", + "\n", + " results = np.array(results)\n", + " return results" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "8270b259", + "metadata": {}, + "outputs": [], + "source": [ + "exp_020 = get_results('./exp_020/log.txt', 7)" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "bd573c81", + "metadata": {}, + "outputs": [], + "source": [ + "l=1 #average over l epochs" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "id": "14bf1f4a", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 6, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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\n", + "text/plain": [ + "
" + ] + }, + "metadata": { + "needs_background": "light" + }, + "output_type": "display_data" + } + ], + "source": [ + "plt.figure(figsize=(12,8))\n", + "\n", + "plt.plot(running_mean(exp_020[:,1],l), running_mean(exp_020[:,3],l), '--', linewidth=2.0, c='C0')\n", + "plt.plot(running_mean(exp_020[:,1],l), running_mean(exp_020[:,4],l), linewidth=4.0, c='C0')\n", + "\n", + "plt.xlabel('Optimizer steps')\n", + "plt.ylabel('Perplexity')\n", + "plt.grid(True)\n", + "plt.legend(['Training - 0.2A backbone noise','Validation - 0.0A backbone noise'] )" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "00acbe24", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 7, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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\n", + "text/plain": [ + "
" + ] + }, + "metadata": { + "needs_background": "light" + }, + "output_type": "display_data" + } + ], + "source": [ + "plt.figure(figsize=(12,8))\n", + "k = 5\n", + "\n", + "plt.plot(running_mean(exp_020[:,1],l), running_mean(exp_020[:,5],l), '--', linewidth=2.0, c='C0')\n", + "plt.plot(running_mean(exp_020[:,1],l), running_mean(exp_020[:,6],l), linewidth=4.0, c='C0')\n", + "\n", + "plt.xlabel('Optimizer steps')\n", + "plt.ylabel('Accuracy')\n", + "plt.grid(True)\n", + "plt.legend(['Training - 0.2A backbone noise','Validation - 0.0A backbone noise'] )" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "b8d291e8", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.6" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/ProteinMPNN/training/submit_exp_020.sh b/ProteinMPNN/training/submit_exp_020.sh new file mode 100644 index 0000000000000000000000000000000000000000..2d852f115c5bc6eba4d736ca6108fd2bf5bb48b7 --- /dev/null +++ b/ProteinMPNN/training/submit_exp_020.sh @@ -0,0 +1,15 @@ +#!/bin/bash + +#SBATCH -p gpu +#SBATCH --mem=128g +#SBATCH --gres=gpu:a100:1 +#SBATCH -c 12 +#SBATCH -t 7-00:00:00 +#SBATCH --output=exp_020.out + +source activate mlfold-test +python ./training.py \ + --path_for_outputs "./exp_020" \ + --path_for_training_data "path_to/pdb_2021aug02" \ + --num_examples_per_epoch 1000 \ + --save_model_every_n_epochs 50 diff --git a/ProteinMPNN/training/test_inference.sh b/ProteinMPNN/training/test_inference.sh new file mode 100644 index 0000000000000000000000000000000000000000..38b310195d593ba69abefe6391efb66e4f4c0148 --- /dev/null +++ b/ProteinMPNN/training/test_inference.sh @@ -0,0 +1,30 @@ +#!/bin/bash +#SBATCH -p gpu +#SBATCH --mem=32g +#SBATCH --gres=gpu:rtx2080:1 +#SBATCH -c 3 +#SBATCH --output=example_3_model_w_test.out + +source activate mlfold + +path_to_PDB="../inputs/PDB_monomers/pdbs/5L33.pdb" + +output_dir="../outputs/training_test_output" +if [ ! -d $output_dir ] +then + mkdir -p $output_dir +fi + +chains_to_design="A" + + +python ../protein_mpnn_run.py \ + --path_to_model_weights "../training/exp_020/model_weights" \ + --model_name "epoch_last" \ + --pdb_path $path_to_PDB \ + --pdb_path_chains "$chains_to_design" \ + --out_folder $output_dir \ + --num_seq_per_target 8 \ + --sampling_temp "0.1" \ + --seed 37 \ + --batch_size 1 diff --git a/ProteinMPNN/training/training.py b/ProteinMPNN/training/training.py new file mode 100644 index 0000000000000000000000000000000000000000..dd8135bd34fa797d479cd914d7bce1d9dfdcf77e --- /dev/null +++ b/ProteinMPNN/training/training.py @@ -0,0 +1,251 @@ +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 + import queue + import copy + import torch.nn as nn + import torch.nn.functional as F + import random + import os.path + import subprocess + from concurrent.futures import ProcessPoolExecutor + from utils import worker_init_fn, get_pdbs, loader_pdb, build_training_clusters, PDB_dataset, StructureDataset, StructureLoader + from model_utils import featurize, loss_smoothed, loss_nll, get_std_opt, ProteinMPNN + + scaler = torch.cuda.amp.GradScaler() + + device = torch.device("cuda:0" if (torch.cuda.is_available()) else "cpu") + + base_folder = time.strftime(args.path_for_outputs, time.localtime()) + + if base_folder[-1] != '/': + base_folder += '/' + if not os.path.exists(base_folder): + os.makedirs(base_folder) + subfolders = ['model_weights'] + for subfolder in subfolders: + if not os.path.exists(base_folder + subfolder): + os.makedirs(base_folder + subfolder) + + PATH = args.previous_checkpoint + + logfile = base_folder + 'log.txt' + if not PATH: + with open(logfile, 'w') as f: + f.write('Epoch\tTrain\tValidation\n') + + data_path = args.path_for_training_data + params = { + "LIST" : f"{data_path}/list.csv", + "VAL" : f"{data_path}/valid_clusters.txt", + "TEST" : f"{data_path}/test_clusters.txt", + "DIR" : f"{data_path}", + "DATCUT" : "2030-Jan-01", + "RESCUT" : args.rescut, #resolution cutoff for PDBs + "HOMO" : 0.70 #min seq.id. to detect homo chains + } + + + LOAD_PARAM = {'batch_size': 1, + 'shuffle': True, + 'pin_memory':False, + 'num_workers': 4} + + + if args.debug: + args.num_examples_per_epoch = 50 + args.max_protein_length = 1000 + args.batch_size = 1000 + + train, valid, test = build_training_clusters(params, args.debug) + + train_set = PDB_dataset(list(train.keys()), loader_pdb, train, params) + train_loader = torch.utils.data.DataLoader(train_set, worker_init_fn=worker_init_fn, **LOAD_PARAM) + valid_set = PDB_dataset(list(valid.keys()), loader_pdb, valid, params) + valid_loader = torch.utils.data.DataLoader(valid_set, worker_init_fn=worker_init_fn, **LOAD_PARAM) + + + model = ProteinMPNN(node_features=args.hidden_dim, + edge_features=args.hidden_dim, + hidden_dim=args.hidden_dim, + num_encoder_layers=args.num_encoder_layers, + num_decoder_layers=args.num_encoder_layers, + k_neighbors=args.num_neighbors, + dropout=args.dropout, + augment_eps=args.backbone_noise) + model.to(device) + + + if PATH: + checkpoint = torch.load(PATH) + total_step = checkpoint['step'] #write total_step from the checkpoint + epoch = checkpoint['epoch'] #write epoch from the checkpoint + model.load_state_dict(checkpoint['model_state_dict']) + else: + total_step = 0 + epoch = 0 + + optimizer = get_std_opt(model.parameters(), args.hidden_dim, total_step) + + + if PATH: + optimizer.optimizer.load_state_dict(checkpoint['optimizer_state_dict']) + + + with ProcessPoolExecutor(max_workers=12) as executor: + q = queue.Queue(maxsize=3) + p = queue.Queue(maxsize=3) + for i in range(3): + q.put_nowait(executor.submit(get_pdbs, train_loader, 1, args.max_protein_length, args.num_examples_per_epoch)) + p.put_nowait(executor.submit(get_pdbs, valid_loader, 1, args.max_protein_length, args.num_examples_per_epoch)) + pdb_dict_train = q.get().result() + pdb_dict_valid = p.get().result() + + dataset_train = StructureDataset(pdb_dict_train, truncate=None, max_length=args.max_protein_length) + dataset_valid = StructureDataset(pdb_dict_valid, truncate=None, max_length=args.max_protein_length) + + loader_train = StructureLoader(dataset_train, batch_size=args.batch_size) + loader_valid = StructureLoader(dataset_valid, batch_size=args.batch_size) + + reload_c = 0 + for e in range(args.num_epochs): + t0 = time.time() + e = epoch + e + model.train() + train_sum, train_weights = 0., 0. + train_acc = 0. + if e % args.reload_data_every_n_epochs == 0: + if reload_c != 0: + pdb_dict_train = q.get().result() + dataset_train = StructureDataset(pdb_dict_train, truncate=None, max_length=args.max_protein_length) + loader_train = StructureLoader(dataset_train, batch_size=args.batch_size) + pdb_dict_valid = p.get().result() + dataset_valid = StructureDataset(pdb_dict_valid, truncate=None, max_length=args.max_protein_length) + loader_valid = StructureLoader(dataset_valid, batch_size=args.batch_size) + q.put_nowait(executor.submit(get_pdbs, train_loader, 1, args.max_protein_length, args.num_examples_per_epoch)) + p.put_nowait(executor.submit(get_pdbs, valid_loader, 1, args.max_protein_length, args.num_examples_per_epoch)) + reload_c += 1 + for _, batch in enumerate(loader_train): + start_batch = time.time() + X, S, mask, lengths, chain_M, residue_idx, mask_self, chain_encoding_all = featurize(batch, device) + elapsed_featurize = time.time() - start_batch + optimizer.zero_grad() + mask_for_loss = mask*chain_M + + if args.mixed_precision: + with torch.cuda.amp.autocast(): + log_probs = model(X, S, mask, chain_M, residue_idx, chain_encoding_all) + _, loss_av_smoothed = loss_smoothed(S, log_probs, mask_for_loss) + + scaler.scale(loss_av_smoothed).backward() + + if args.gradient_norm > 0.0: + total_norm = torch.nn.utils.clip_grad_norm_(model.parameters(), args.gradient_norm) + + scaler.step(optimizer) + scaler.update() + else: + log_probs = model(X, S, mask, chain_M, residue_idx, chain_encoding_all) + _, loss_av_smoothed = loss_smoothed(S, log_probs, mask_for_loss) + loss_av_smoothed.backward() + + if args.gradient_norm > 0.0: + total_norm = torch.nn.utils.clip_grad_norm_(model.parameters(), args.gradient_norm) + + optimizer.step() + + loss, loss_av, true_false = loss_nll(S, log_probs, mask_for_loss) + + train_sum += torch.sum(loss * mask_for_loss).cpu().data.numpy() + train_acc += torch.sum(true_false * mask_for_loss).cpu().data.numpy() + train_weights += torch.sum(mask_for_loss).cpu().data.numpy() + + total_step += 1 + + model.eval() + with torch.no_grad(): + validation_sum, validation_weights = 0., 0. + validation_acc = 0. + for _, batch in enumerate(loader_valid): + X, S, mask, lengths, chain_M, residue_idx, mask_self, chain_encoding_all = featurize(batch, device) + log_probs = model(X, S, mask, chain_M, residue_idx, chain_encoding_all) + mask_for_loss = mask*chain_M + loss, loss_av, true_false = loss_nll(S, log_probs, mask_for_loss) + + validation_sum += torch.sum(loss * mask_for_loss).cpu().data.numpy() + validation_acc += torch.sum(true_false * mask_for_loss).cpu().data.numpy() + validation_weights += torch.sum(mask_for_loss).cpu().data.numpy() + + train_loss = train_sum / train_weights + train_accuracy = train_acc / train_weights + train_perplexity = np.exp(train_loss) + validation_loss = validation_sum / validation_weights + validation_accuracy = validation_acc / validation_weights + validation_perplexity = np.exp(validation_loss) + + train_perplexity_ = np.format_float_positional(np.float32(train_perplexity), unique=False, precision=3) + validation_perplexity_ = np.format_float_positional(np.float32(validation_perplexity), unique=False, precision=3) + train_accuracy_ = np.format_float_positional(np.float32(train_accuracy), unique=False, precision=3) + validation_accuracy_ = np.format_float_positional(np.float32(validation_accuracy), unique=False, precision=3) + + t1 = time.time() + dt = np.format_float_positional(np.float32(t1-t0), unique=False, precision=1) + with open(logfile, 'a') as f: + f.write(f'epoch: {e+1}, step: {total_step}, time: {dt}, train: {train_perplexity_}, valid: {validation_perplexity_}, train_acc: {train_accuracy_}, valid_acc: {validation_accuracy_}\n') + print(f'epoch: {e+1}, step: {total_step}, time: {dt}, train: {train_perplexity_}, valid: {validation_perplexity_}, train_acc: {train_accuracy_}, valid_acc: {validation_accuracy_}') + + checkpoint_filename_last = base_folder+'model_weights/epoch_last.pt'.format(e+1, total_step) + torch.save({ + 'epoch': e+1, + 'step': total_step, + 'num_edges' : args.num_neighbors, + 'noise_level': args.backbone_noise, + 'model_state_dict': model.state_dict(), + 'optimizer_state_dict': optimizer.optimizer.state_dict(), + }, checkpoint_filename_last) + + if (e+1) % args.save_model_every_n_epochs == 0: + checkpoint_filename = base_folder+'model_weights/epoch{}_step{}.pt'.format(e+1, total_step) + torch.save({ + 'epoch': e+1, + 'step': total_step, + 'num_edges' : args.num_neighbors, + 'noise_level': args.backbone_noise, + 'model_state_dict': model.state_dict(), + 'optimizer_state_dict': optimizer.optimizer.state_dict(), + }, checkpoint_filename) + + +if __name__ == "__main__": + argparser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + + argparser.add_argument("--path_for_training_data", type=str, default="my_path/pdb_2021aug02", help="path for loading training data") + argparser.add_argument("--path_for_outputs", type=str, default="./exp_020", help="path for logs and model weights") + argparser.add_argument("--previous_checkpoint", type=str, default="", help="path for previous model weights, e.g. file.pt") + argparser.add_argument("--num_epochs", type=int, default=200, help="number of epochs to train for") + argparser.add_argument("--save_model_every_n_epochs", type=int, default=10, help="save model weights every n epochs") + argparser.add_argument("--reload_data_every_n_epochs", type=int, default=2, help="reload training data every n epochs") + argparser.add_argument("--num_examples_per_epoch", type=int, default=1000000, help="number of training example to load for one epoch") + argparser.add_argument("--batch_size", type=int, default=10000, help="number of tokens for one batch") + argparser.add_argument("--max_protein_length", type=int, default=10000, help="maximum length of the protein complext") + argparser.add_argument("--hidden_dim", type=int, default=128, help="hidden model dimension") + argparser.add_argument("--num_encoder_layers", type=int, default=3, help="number of encoder layers") + argparser.add_argument("--num_decoder_layers", type=int, default=3, help="number of decoder layers") + argparser.add_argument("--num_neighbors", type=int, default=48, help="number of neighbors for the sparse graph") + argparser.add_argument("--dropout", type=float, default=0.1, help="dropout level; 0.0 means no dropout") + argparser.add_argument("--backbone_noise", type=float, default=0.2, help="amount of noise added to backbone during training") + argparser.add_argument("--rescut", type=float, default=3.5, help="PDB resolution cutoff") + argparser.add_argument("--debug", type=bool, default=False, help="minimal data loading for debugging") + argparser.add_argument("--gradient_norm", type=float, default=-1.0, help="clip gradient norm, set to negative to omit clipping") + argparser.add_argument("--mixed_precision", type=bool, default=True, help="train with mixed precision") + + args = argparser.parse_args() + main(args) diff --git a/ProteinMPNN/training/utils.py b/ProteinMPNN/training/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..6700b1499e183a1fbadd4a65023d589a5d26d193 --- /dev/null +++ b/ProteinMPNN/training/utils.py @@ -0,0 +1,356 @@ +import torch +from torch.utils.data import DataLoader +import csv +from dateutil import parser +import numpy as np +import time +import random +import os + +class StructureDataset(): + 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: + #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 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 + + +def worker_init_fn(worker_id): + np.random.seed() + +class NoamOpt: + "Optim wrapper that implements rate." + def __init__(self, model_size, factor, warmup, optimizer, step): + self.optimizer = optimizer + self._step = step + self.warmup = warmup + self.factor = factor + self.model_size = model_size + self._rate = 0 + + @property + def param_groups(self): + """Return param_groups.""" + return self.optimizer.param_groups + + def step(self): + "Update parameters and rate" + self._step += 1 + rate = self.rate() + for p in self.optimizer.param_groups: + p['lr'] = rate + self._rate = rate + self.optimizer.step() + + def rate(self, step = None): + "Implement `lrate` above" + if step is None: + step = self._step + return self.factor * \ + (self.model_size ** (-0.5) * + min(step ** (-0.5), step * self.warmup ** (-1.5))) + + def zero_grad(self): + self.optimizer.zero_grad() + +def get_std_opt(parameters, d_model, step): + return NoamOpt( + d_model, 2, 4000, torch.optim.Adam(parameters, lr=0, betas=(0.9, 0.98), eps=1e-9), step + ) + + + + +def get_pdbs(data_loader, repeat=1, max_length=10000, num_units=1000000): + 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 + c = 0 + c1 = 0 + pdb_dict_list = [] + t0 = time.time() + for _ in range(repeat): + for step,t in enumerate(data_loader): + t = {k:v[0] for k,v in t.items()} + c1 += 1 + if 'label' in list(t): + my_dict = {} + s = 0 + concat_seq = '' + concat_N = [] + concat_CA = [] + concat_C = [] + concat_O = [] + concat_mask = [] + coords_dict = {} + mask_list = [] + visible_list = [] + if len(list(np.unique(t['idx']))) < 352: + for idx in list(np.unique(t['idx'])): + letter = chain_alphabet[idx] + res = np.argwhere(t['idx']==idx) + initial_sequence= "".join(list(np.array(list(t['seq']))[res][0,])) + if initial_sequence[-6:] == "HHHHHH": + res = res[:,:-6] + if initial_sequence[0:6] == "HHHHHH": + res = res[:,6:] + if initial_sequence[-7:-1] == "HHHHHH": + res = res[:,:-7] + if initial_sequence[-8:-2] == "HHHHHH": + res = res[:,:-8] + if initial_sequence[-9:-3] == "HHHHHH": + res = res[:,:-9] + if initial_sequence[-10:-4] == "HHHHHH": + res = res[:,:-10] + if initial_sequence[1:7] == "HHHHHH": + res = res[:,7:] + if initial_sequence[2:8] == "HHHHHH": + res = res[:,8:] + if initial_sequence[3:9] == "HHHHHH": + res = res[:,9:] + if initial_sequence[4:10] == "HHHHHH": + res = res[:,10:] + if res.shape[1] < 4: + pass + else: + my_dict['seq_chain_'+letter]= "".join(list(np.array(list(t['seq']))[res][0,])) + concat_seq += my_dict['seq_chain_'+letter] + if idx in t['masked']: + mask_list.append(letter) + else: + visible_list.append(letter) + coords_dict_chain = {} + all_atoms = np.array(t['xyz'][res,])[0,] #[L, 14, 3] + coords_dict_chain['N_chain_'+letter]=all_atoms[:,0,:].tolist() + coords_dict_chain['CA_chain_'+letter]=all_atoms[:,1,:].tolist() + coords_dict_chain['C_chain_'+letter]=all_atoms[:,2,:].tolist() + coords_dict_chain['O_chain_'+letter]=all_atoms[:,3,:].tolist() + my_dict['coords_chain_'+letter]=coords_dict_chain + my_dict['name']= t['label'] + my_dict['masked_list']= mask_list + my_dict['visible_list']= visible_list + my_dict['num_of_chains'] = len(mask_list) + len(visible_list) + my_dict['seq'] = concat_seq + if len(concat_seq) <= max_length: + pdb_dict_list.append(my_dict) + if len(pdb_dict_list) >= num_units: + break + return pdb_dict_list + + + +class PDB_dataset(torch.utils.data.Dataset): + def __init__(self, IDs, loader, train_dict, params): + self.IDs = IDs + self.train_dict = train_dict + self.loader = loader + self.params = params + + def __len__(self): + return len(self.IDs) + + def __getitem__(self, index): + ID = self.IDs[index] + sel_idx = np.random.randint(0, len(self.train_dict[ID])) + out = self.loader(self.train_dict[ID][sel_idx], self.params) + return out + + + +def loader_pdb(item,params): + + pdbid,chid = item[0].split('_') + PREFIX = "%s/pdb/%s/%s"%(params['DIR'],pdbid[1:3],pdbid) + + # load metadata + if not os.path.isfile(PREFIX+".pt"): + return {'seq': np.zeros(5)} + meta = torch.load(PREFIX+".pt") + asmb_ids = meta['asmb_ids'] + asmb_chains = meta['asmb_chains'] + chids = np.array(meta['chains']) + + # find candidate assemblies which contain chid chain + asmb_candidates = set([a for a,b in zip(asmb_ids,asmb_chains) + if chid in b.split(',')]) + + # if the chains is missing is missing from all the assemblies + # then return this chain alone + if len(asmb_candidates)<1: + chain = torch.load("%s_%s.pt"%(PREFIX,chid)) + L = len(chain['seq']) + return {'seq' : chain['seq'], + 'xyz' : chain['xyz'], + 'idx' : torch.zeros(L).int(), + 'masked' : torch.Tensor([0]).int(), + 'label' : item[0]} + + # randomly pick one assembly from candidates + asmb_i = random.sample(list(asmb_candidates), 1) + + # indices of selected transforms + idx = np.where(np.array(asmb_ids)==asmb_i)[0] + + # load relevant chains + chains = {c:torch.load("%s_%s.pt"%(PREFIX,c)) + for i in idx for c in asmb_chains[i] + if c in meta['chains']} + + # generate assembly + asmb = {} + for k in idx: + + # pick k-th xform + xform = meta['asmb_xform%d'%k] + u = xform[:,:3,:3] + r = xform[:,:3,3] + + # select chains which k-th xform should be applied to + s1 = set(meta['chains']) + s2 = set(asmb_chains[k].split(',')) + chains_k = s1&s2 + + # transform selected chains + for c in chains_k: + try: + xyz = chains[c]['xyz'] + xyz_ru = torch.einsum('bij,raj->brai', u, xyz) + r[:,None,None,:] + asmb.update({(c,k,i):xyz_i for i,xyz_i in enumerate(xyz_ru)}) + except KeyError: + return {'seq': np.zeros(5)} + + # select chains which share considerable similarity to chid + seqid = meta['tm'][chids==chid][0,:,1] + homo = set([ch_j for seqid_j,ch_j in zip(seqid,chids) + if seqid_j>params['HOMO']]) + # stack all chains in the assembly together + seq,xyz,idx,masked = "",[],[],[] + seq_list = [] + for counter,(k,v) in enumerate(asmb.items()): + seq += chains[k[0]]['seq'] + seq_list.append(chains[k[0]]['seq']) + xyz.append(v) + idx.append(torch.full((v.shape[0],),counter)) + if k[0] in homo: + masked.append(counter) + + return {'seq' : seq, + 'xyz' : torch.cat(xyz,dim=0), + 'idx' : torch.cat(idx,dim=0), + 'masked' : torch.Tensor(masked).int(), + 'label' : item[0]} + + + + +def build_training_clusters(params, debug): + val_ids = set([int(l) for l in open(params['VAL']).readlines()]) + test_ids = set([int(l) for l in open(params['TEST']).readlines()]) + + if debug: + val_ids = [] + test_ids = [] + + # read & clean list.csv + with open(params['LIST'], 'r') as f: + reader = csv.reader(f) + next(reader) + rows = [[r[0],r[3],int(r[4])] for r in reader + if float(r[2])<=params['RESCUT'] and + parser.parse(r[1])<=parser.parse(params['DATCUT'])] + + # compile training and validation sets + train = {} + valid = {} + test = {} + + if debug: + rows = rows[:20] + for r in rows: + if r[2] in val_ids: + if r[2] in valid.keys(): + valid[r[2]].append(r[:2]) + else: + valid[r[2]] = [r[:2]] + elif r[2] in test_ids: + if r[2] in test.keys(): + test[r[2]].append(r[:2]) + else: + test[r[2]] = [r[:2]] + else: + if r[2] in train.keys(): + train[r[2]].append(r[:2]) + else: + train[r[2]] = [r[:2]] + if debug: + valid=train + return train, valid, test diff --git 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