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To expedite the release of the codebase, this part of code was not thoroughly curated and contains redundant files and code. The codebase might be revised in the future but probably it will get completely rewritten as part of a future project with an improved model. + +## Environment + +Tested for Python 3.9. For other versions enviroment might need to be adapted. + +Assuming you have already installed the environment for Flexpert-3D and Flexpert-Seq, install the additional dependencies for Flexpert-Design using the `requirements.txt` file in this directory. + +```bash +pip install -r requirements.txt +``` + + +## Inference + +In this example we will illustrate how to run inference with the trained model (trained wights are provided inside the train/results directory, you do not need to train the model again necessarily). + +Place the PDB files you want to predict in the `predict_example` directory. It is expected that the files are named like `PDBCODE_CHAINID.pdb`, example file '1ahy_A.pdb' is provided. For each PDB file in that folder, add the instructions on flexibility you want to be considered by the ProteinMPNN model in the `PDBCODE_CHAINID_instructions.csv` file - example file '1ah7_A_instructions.csv' is provided. Then run the following command to run inference. + +```bash +python3 predict.py \ + --infer_path predict_example/ +``` + +The output will be in the `predict_example/predictions.txt` file. + +The origininal sequence and the regenerated sequence can be compared using the following script. + +```bash +python3 predict_example/compare_seqs.py \ + --pdb_code 1ah7_A +``` + +## Training + +First make sure you have the Flexpert-3D model weights in the `Flexpert/models/weights` directory. Alternatively run the following script to download the weights. + +```bash +. ../download_flexpert_weights.sh +``` + +Download the training data: + +```bash +. ../download-cath-data.sh +``` + +Then run the following command to train the model. + +```bash +export HF_HOME=./HF_cache +python3 train.py \ + --batch_size 4 \ + --model_name 'ProteinMPNN' \ + --stage 'fit' \ + --dataset FLEX_CATH4.3 \ + --ex_name training-reproduction \ + --offline 0 \ + --gpus 1 \ + --epoch 11 \ + --use_dynamics 1 \ + --flex_loss_coeff 0.8 \ + --init_flex_features 1 \ + --grad_normalization 0 \ + --loss_fn MSE \ + --use_pmpnn_checkpoint 1 +``` \ No newline at end of file diff --git a/Flexpert-Design/configs/ANMAwareFlexibilityProtTrans.yaml b/Flexpert-Design/configs/ANMAwareFlexibilityProtTrans.yaml new file mode 100644 index 0000000000000000000000000000000000000000..48b254bbe0125f0ec7d153823369879e64be774c --- /dev/null +++ b/Flexpert-Design/configs/ANMAwareFlexibilityProtTrans.yaml @@ -0,0 +1,12 @@ +checkpoint_path: ../models/weights/flexpert_3d_weights.bin +data_jsonl_name: /NEWcath_ANM_gt_flex_annotated.jsonl #/debug_cath_ANM_gt_flex_annotated.jsonl #/cath_ANM_gt_flex_annotated.jsonl +half_precision: False #mixed_precision +gumbel_temperature: 0.2 +num_labels: 1 +add_pearson_loss: False +add_sse_loss: False +adaptor_architecture: 'conv' +enm_embed_dim: 128 +enm_att_heads: 8 +num_layers: 3 +kernel_size: 5 \ No newline at end of file diff --git a/Flexpert-Design/configs/Flexpert-Design-inference.yaml b/Flexpert-Design/configs/Flexpert-Design-inference.yaml new file mode 100644 index 0000000000000000000000000000000000000000..ed5415be91cc05685eb4ca74dfcf6f457c124340 --- /dev/null +++ b/Flexpert-Design/configs/Flexpert-Design-inference.yaml @@ -0,0 +1 @@ +pmpnn_model_path: 'train/results/MSEloss_flex_cath_coeff_0.8/checkpoints/last.ckpt' diff --git a/Flexpert-Design/configs/ProteinMPNN.py b/Flexpert-Design/configs/ProteinMPNN.py new file mode 100644 index 0000000000000000000000000000000000000000..732f4d7c039129df41e535fdf00c895c585dd35a --- /dev/null +++ b/Flexpert-Design/configs/ProteinMPNN.py @@ -0,0 +1,14 @@ +method = 'ProteinMPNN' +hidden = 128 +k_neighbors=30 +num_letters = 33 +num_encoder_layers = 3 +num_decoder_layers = 3 +vocab = 33 +dropout = 0.1 +smoothing = 0.1 +batch_size = 8 +lr = 0.001 +proteinmpnn_type = 0 +patience = 100 +epoch=100 \ No newline at end of file diff --git a/Flexpert-Design/configs/ProteinMPNN.yaml b/Flexpert-Design/configs/ProteinMPNN.yaml new file mode 100644 index 0000000000000000000000000000000000000000..e8ac4c4558193fb07306dae2071e65cbb278a7dd --- /dev/null +++ b/Flexpert-Design/configs/ProteinMPNN.yaml @@ -0,0 +1,13 @@ +augment_eps: 0.0 +num_encoder_layers: 3 +hidden_dim: 128 +hidden: 128 +k_neighbors: 30 +num_letters: 33 +num_decoder_layers: 3 +vocab: 33 +dropout: 0.1 +smoothing: 0.1 +proteinmpnn_type: 0 +init_flex_features: 1 +starting_checkpoint_path: 'vanilla_mpnn_weights/best-epoch=99-recovery=0.485.ckpt' diff --git a/Flexpert-Design/data_interface.py b/Flexpert-Design/data_interface.py new file mode 100644 index 0000000000000000000000000000000000000000..a16c924d9fac74af3b4def60b9b08c9c3c388e77 --- /dev/null +++ b/Flexpert-Design/data_interface.py @@ -0,0 +1,205 @@ +import inspect +from torch.utils.data import DataLoader +from src.interface.data_interface import DInterface_base +import torch +import os.path as osp +from src.tools.utils import cuda +import pdb +from src.tools.utils import load_yaml_config + +class MyDataLoader(DataLoader): + def __init__(self, dataset, model_name, batch_size=64, num_workers=8, *args, **kwargs): + super().__init__(dataset, batch_size=batch_size, num_workers=num_workers, *args, **kwargs) + self.pretrain_device = 'cuda:0' + self.model_name = model_name + + def __iter__(self): + for batch in super().__iter__(): + # 在这里对batch进行处理 + # ... + try: + self.pretrain_device = f'cuda:{torch.distributed.get_rank()}' + except: + self.pretrain_device = 'cuda:0' + + stream = torch.cuda.Stream( + self.pretrain_device + ) + with torch.cuda.stream(stream): + if self.model_name=='GVP': + batch = batch.cuda(non_blocking=True, device=self.pretrain_device) + yield batch + else: + for key, val in batch.items(): + if type(val) == torch.Tensor: + batch[key] = batch[key].cuda(non_blocking=True, device=self.pretrain_device) + + # X = batch['X'].cuda(non_blocking=True, device=self.pretrain_device) + # S = batch['S'].cuda(non_blocking=True, device=self.pretrain_device) + # score = batch['score'].cuda(non_blocking=True, device=self.pretrain_device) + # mask = batch['mask'].cuda(non_blocking=True, device=self.pretrain_device) + # lengths = batch['lengths'].cuda(non_blocking=True, device=self.pretrain_device) + # chain_mask = batch['chain_mask'].cuda(non_blocking=True, device=self.pretrain_device) + # chain_encoding = batch['chain_encoding'].cuda(non_blocking=True, device=self.pretrain_device) + + yield batch + + +class DInterface(DInterface_base): + def __init__(self,**kwargs): + super().__init__(**kwargs) + self.save_hyperparameters() + self.load_data_module() + + def setup(self, stage=None): + from src.datasets.featurizer import (featurize_AF, featurize_GTrans, featurize_GVP, + featurize_ProteinMPNN, featurize_Inversefolding) + if self.hparams.model_name in ['AlphaDesign', 'PiFold', 'KWDesign', 'GraphTrans', 'StructGNN', 'GCA', 'E3PiFold']: + self.collate_fn = featurize_GTrans + elif self.hparams.model_name == 'GVP': + featurizer = featurize_GVP() + self.collate_fn = featurizer.collate + elif self.hparams.model_name == 'ProteinMPNN': + self.collate_fn = featurize_ProteinMPNN + elif self.hparams.model_name == 'ESMIF': + self.collate_fn = featurize_Inversefolding + + # Assign train/val datasets for use in dataloaders + if stage == 'fit' or stage is None: + self.trainset = self.instancialize(split = 'train') + self.valset = self.instancialize(split='valid') + + # Assign test dataset for use in dataloader(s) + if stage == 'test' or stage is None: + self.testset = self.instancialize(split='test') + + if stage in ['predict','eval']: + self.predictset = self.instancialize(split='predict') + + def train_dataloader(self): + return MyDataLoader(self.trainset, model_name=self.hparams.model_name, batch_size=self.batch_size, num_workers=self.hparams.num_workers, shuffle=True, prefetch_factor=8, pin_memory=True, collate_fn=self.collate_fn) + + def val_dataloader(self): + return MyDataLoader(self.valset, model_name=self.hparams.model_name, batch_size=self.batch_size, num_workers=self.hparams.num_workers, shuffle=False, pin_memory=True, collate_fn=self.collate_fn) + + def test_dataloader(self): + return MyDataLoader(self.testset, model_name=self.hparams.model_name, batch_size=self.batch_size, num_workers=self.hparams.num_workers, shuffle=False, pin_memory=True, collate_fn=self.collate_fn) + + def predict_dataloader(self): + return MyDataLoader(self.predictset, model_name=self.hparams.model_name, batch_size=self.batch_size, num_workers=self.hparams.num_workers, shuffle=False, pin_memory=True, collate_fn=self.collate_fn) + + def load_data_module(self): + + name = self.hparams.dataset + if name == 'AF2DB': + from src.datasets.AF2DB_dataset_lmdb import Af2dbDataset + self.data_module = Af2dbDataset + + if name == 'TS': + from src.datasets.ts_dataset import TSDataset + self.data_module = TSDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'ts') + + if name == 'CASP15': + from src.datasets.casp_dataset import CASPDataset + self.data_module = CASPDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'casp15') + + if name == 'CATH4.2': + from src.datasets.cath_dataset import CATHDataset + self.data_module = CATHDataset + self.hparams['version'] = 4.2 + self.hparams['path'] = osp.join(self.hparams.data_root, 'cath4.2') + + if name == 'CATH4.3': + from src.datasets.cath_dataset import CATHDataset + self.data_module = CATHDataset + self.hparams['version'] = 4.3 + self.hparams['path'] = osp.join(self.hparams.data_root, 'cath4.3') + + if name == 'MPNN': + from src.datasets.mpnn_dataset import MPNNDataset + self.data_module = MPNNDataset + + if name == 'FOLDSWITCHERS_1': + from src.datasets.foldswitchers_dataset import FoldswitchersDataset + self.data_module = FoldswitchersDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'fold_switchers/fold_1') + + if name == 'FOLDSWITCHERS_2': + from src.datasets.foldswitchers_dataset import FoldswitchersDataset + self.data_module = FoldswitchersDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'fold_switchers/fold_2') + + if name == 'PDBInference': + from src.datasets.pdb_inference import PDBInference + self.data_module = PDBInference + self.hparams['path'] = osp.join(self.hparams.infer_path) + + if name == 'ATLAS_DIST_1': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'atlas/distant-frame-pairs_NO_SUPERPOSITION/frames_1') + + if name == 'ATLAS_DIST_2': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'atlas/distant-frame-pairs_NO_SUPERPOSITION/frames_2') + + if name == 'ATLAS_CLUSTER_1': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'atlas/cluster-representatives/frames_1') + + if name == 'ATLAS_CLUSTER_2': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, 'atlas/cluster-representatives/frames_2') + + if name == 'ATLAS_PDB': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, '../atlas_pdb_inference/') + + if name == 'ATLAS_FULL_MINIMIZED': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, '../atlas_eval_proteinmpnn/atlas_full/minimized_PDBs/pdbs/') + + if name == 'ATLAS_FULL_REFOLDED': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, '../atlas_eval_proteinmpnn/atlas_full/refolded_PDBs/pdbs/') + + if name == 'ATLAS_FULL_CRYSTAL': + from src.datasets.atlas_dataset import AtlasDataset + self.data_module = AtlasDataset + self.hparams['path'] = osp.join(self.hparams.data_root, '../atlas_eval_proteinmpnn/atlas_full/crystal_PDBs/pdbs/') + + if name == 'FLEX_CATH4.3': + from src.datasets.flex_cath_dataset import FlexCATHDataset + self.data_module = FlexCATHDataset + self.hparams['version'] = 4.3 + self.hparams['path'] = osp.join(self.hparams.data_root, 'cath4.3') + + + def instancialize(self, **other_args): + """ Instancialize a model using the corresponding parameters + from self.hparams dictionary. You can also input any args + to overwrite the corresponding value in self.kwargs. + """ + class_args = list(inspect.signature(self.data_module.__init__).parameters)[1:] + inkeys = self.hparams.keys() + args1 = {} + for arg in class_args: + if arg in inkeys: + args1[arg] = self.hparams[arg] + args1.update(other_args) + + # if self.hparams['test_engineering'] and self.hparams['use_dynamics']: + # args1['data_jsonl_name'] = self.hparams['test_eng_data_path'] + #elif self.hparams['use_dynamics']: + if self.hparams['use_dynamics']: + args1['data_jsonl_name'] = load_yaml_config('configs/ANMAwareFlexibilityProtTrans.yaml')['data_jsonl_name'] + # import pdb; pdb.set_trace() + return self.data_module(**args1) #Here this leads to __init__ of the class dataset \ No newline at end of file diff --git a/Flexpert-Design/data_utils.py b/Flexpert-Design/data_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..ff9d240dd5f9185a9759432d3ab771c4d9e821d3 --- /dev/null +++ b/Flexpert-Design/data_utils.py @@ -0,0 +1,535 @@ +#From https://github.com/JoreyYan/zetadesign/blob/master/data/data.py +import glob +import json +import numpy as np +import gzip +import re +import multiprocessing +import tqdm +import shutil +SENTINEL = 1 +import biotite.structure as struc +import biotite.application.dssp as dssp +import biotite.structure.io.pdb.file as file + + +def parse_PDB_biounits(x, sse,ssedssp,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, plddts, min_resn, max_resn = {}, {}, [], 1e6, -1e6 + + pdbcontents = x.split('\n')[0] + with open(pdbcontents) as f: + pdbcontents = f.readlines() + for line in pdbcontents: + #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 or ch==' ': + atom = line[12:12 + 4].strip() + resi = line[17:17 + 3] + resn = line[22:22 + 5].strip() + plddt=line[60:60 + 6].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 # in same pos ,use last atoms + 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_ ,sse_,ssedssp_= [], [], [], [] + dsspidx=0 + sseidx=0 + # 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)) + # try: + # if 'CA' in xyz[resn][k]: + # sse_.append(sse[sseidx]) + # sseidx = sseidx + 1 + # else: + # sse_.append('-') + # except: + # print('error sse') + + + # else: + # seq_.append(20) + # sse_.append('-') + + # misschianatom = False + # 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]) #some will miss C and O ,but sse is normal,because sse just depend on CA + # else: + # xyz_.append(np.full(3, np.nan)) + # misschianatom=True + # if misschianatom: + # ssedssp_.append('-') + # misschianatom = False + # else: + # try: + # ssedssp_.append(ssedssp[dsspidx]) # if miss chain atom,xyz ,seq think is ok , but dssp miss this + # dsspidx = dsspidx + 1 + # except: + # print(dsspidx) + + + # else: + # for atom in atoms: + # xyz_.append(np.full(3, np.nan)) + # ssedssp_.append('-') + + + # return np.array(xyz_).reshape(-1, len(atoms), 3), N_to_AA(np.array(seq_)),np.array(sse_),np.array(ssedssp_) + # except TypeError as e: + # print(f"TypeError: {e}") + # return 'no_chain', 'no_chain','no_chain' + + for resn in range(int(min_resn), int(max_resn + 1)): + if resn in seq: + for k in sorted(seq[resn]): + seq_.append(aa_3_N.get(seq[resn][k], 20)) + try: + if 'CA' in xyz[resn][k]: + sse_.append(sse[sseidx]) + sseidx = sseidx + 1 + else: + sse_.append('-') + except: + print('error sse') + + + else: + seq_.append(20) + sse_.append('-') + + misschianatom = False + 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]) #some will miss C and O ,but sse is normal,because sse just depend on CA + else: + xyz_.append(np.full(3, np.nan)) + misschianatom=True + if misschianatom: + ssedssp_.append('-') + misschianatom = False + else: + try: + ssedssp_.append(ssedssp[dsspidx]) # if miss chain atom,xyz ,seq think is ok , but dssp miss this + dsspidx = dsspidx + 1 + except: + print(dsspidx) + + + else: + for atom in atoms: + xyz_.append(np.full(3, np.nan)) + ssedssp_.append('-') + + + return np.array(xyz_).reshape(-1, len(atoms), 3), N_to_AA(np.array(seq_)),np.array(sse_),np.array(ssedssp_) + + +def parse_PDB(path_to_pdb,name, input_chain_list=None): + """ + make sure every time just input 1 line + """ + c = 0 + pdb_dict_list = [] + + + if input_chain_list: + chain_alphabet = input_chain_list + else: + 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 = [path_to_pdb] + for biounit in biounit_names: + my_dict = {} + s = 0 + concat_seq = '' + + + for letter in chain_alphabet: + + PDBFile = file.PDBFile.read(biounit) + array_stack = PDBFile.get_structure(altloc="all") + + + sse1 = struc.annotate_sse(array_stack[0], chain_id=letter).tolist() + if len(sse1)==0: + sse1 = struc.annotate_sse(array_stack[0], chain_id='').tolist() + #ssedssp1 = dssp.DsspApp.annotate_sse(array_stack).tolist() + ssedssp1 = [] #not annotating dssp for now + + + xyz, seq, _, _= parse_PDB_biounits(biounit,sse1,ssedssp1,atoms=['N', 'CA', 'C','O'], chain=letter) #TODO: fix the float error + #ssedssp = sse #faking it for now + # if len(sse)!=len(seq[0]): + # xxxx=len(seq[0]) + # print(name) + #assert len(sse)==len(seq[0]) + #assert len(ssedssp) == len(seq[0]) + + if type(xyz) != str: + concat_seq += seq[0] + my_dict['seq_chain_' + letter] = seq[0] + + coords_dict_chain = {} + coords_dict_chain['N'] = xyz[:, 0, :].tolist() + coords_dict_chain['CA'] = xyz[:, 1, :].tolist() + coords_dict_chain['C'] = xyz[:, 2, :].tolist() + coords_dict_chain['O'] = xyz[:, 3, :].tolist() + my_dict['coords_chain_' + letter] = coords_dict_chain + + #sse=''.join(sse) + #ssedssp=''.join(ssedssp) + #my_dict['sse3' ] = sse + #my_dict['sse8'] = ssedssp + s += 1 + #fi = biounit.rfind("/") + my_dict['name'] = 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 parse_pdb_split_chain(pdbgzFile): + + with open(pdbgzFile) as f: + + + lines = f.readlines() + # pdbcontent = f.decode() + + + pattern = re.compile('ATOM\s+\d+\s*\w+\s*[A-Z]{3,4}\s*(\w)\s*.+\n', re.MULTILINE) + match = list(set(list(pattern.findall(lines[0])))) + + + name=pdbgzFile.split('/')[-1] + #for chain in match: + # parse_PDB + # match=[name[4]] + # match=['A'] + pdb_data=parse_PDB(pdbgzFile,name,match) + + return pdb_data +def parse_pdb_split_chain_af(pdbgzFile): + with gzip.open(pdbgzFile, 'rb') as pdbF: + try: + pdbcontent = pdbF.read() + except: + print(pdbgzFile) + + pdbcontent = pdbcontent.decode() + + + pattern = re.compile('ATOM\s+\d+\s*\w+\s*[A-Z]{3,4}\s*(\w)\s*.+\n', re.MULTILINE) + match = list(set(list(pattern.findall(pdbcontent)))) + + + name=pdbgzFile.split('/')[-1].split('.')[0] + #for chain in match: + # parse_PDB + # match=[name[4]] + # match=[1] + pdb_data=parse_PDB('/media/junyu/data/perotin/aftest080_1000/'+pdbgzFile.split('/')[-1].split('.')[0]+'.pdb',name,match) + + return pdb_data + +def parse_pdb_split_chain_af_3dcnn(pdbgzFile): + with gzip.open(pdbgzFile, 'rb') as pdbF: + try: + pdbcontent = pdbF.read() + except: + print(pdbgzFile) + + pdbcontent = pdbcontent.decode() + + + pattern = re.compile('ATOM\s+\d+\s*\w+\s*[A-Z]{3,4}\s*(\w)\s*.+\n', re.MULTILINE) + match = list(set(list(pattern.findall(pdbcontent)))) + + + name=pdbgzFile.split('/')[-1].split('.')[0] + namelist=[] + for chain in match: + namelist.append(name+'__'+chain) + # match=[name[4]] + # match=[1] + + + + return namelist +def run_net(files_path,output_path): + """ + input is pdbgz's dir + from pdb to jsonl + """ + list=glob.glob(files_path+'*.pdb')#[:3110] + data=[] + for i in tqdm.tqdm(list): + data_chains=parse_pdb_split_chain(i) + #for chian in data_chains: + data.append(data_chains[0]) + + print('we want to write now') + with open(output_path, 'w') as f: + for entry in data: + f.write(json.dumps(entry) + '\n') + + f.close() + print('finished') + +def run_netbyondif(filelist,output_path): + with open(filelist) as f: + + lines = f.readlines() + data=[] + data_1=[] + # data_2 = [] + # data_3 = [] + # data_4 = [] + # data_5 = [] + # data_6 = [] + # data_7 = [] + # data_8 = [] + # data_9 = [] + # data_10 = [] + nums_dict={1:0,2:0,3:0,4:0,5:0,6:0,7:0,8:0,9:0,10:0,} + + for i in tqdm.tqdm(lines): + data_chains,match=parse_pdb_split_chain(i.split('"')[1]) + + for chian in data_chains: + for i in match: + meanplddt = round(float(np.asarray(chian['plddts_chain_' + i]).mean()),2) + data.append({'name':chian['name'],'lens':len(chian['seq']),'meanplddt':meanplddt}) + if int(meanplddt/10)==1: + #data_1.append(chian) + nums_dict[1]=nums_dict[1]+1 + elif int(meanplddt/10)==2: + #data_2.append(chian) + nums_dict[2] = nums_dict[2] + 1 + elif int(meanplddt / 10) == 3: + #data_3.append(chian) + nums_dict[3] = nums_dict[3] + 1 + elif int(meanplddt / 10) == 4: + #data_4.append(chian) + nums_dict[4] = nums_dict[4] + 1 + elif int(meanplddt / 10) == 5: + #data_5.append(chian) + nums_dict[5] = nums_dict[5] + 1 + elif int(meanplddt / 10) == 6: + #data_6.append(chian) + nums_dict[6] = nums_dict[6] + 1 + elif int(meanplddt / 10) == 7: + #data_7.append(chian) + nums_dict[7] = nums_dict[7] + 1 + elif int(meanplddt / 10) == 8: + #data_8.append(chian) + nums_dict[8] = nums_dict[8] + 1 + elif int(meanplddt / 10) == 9: + #data_9.append(chian) + nums_dict[9] = nums_dict[9] + 1 + elif int(meanplddt / 10) == 10: + #data_10.append(chian) + nums_dict[10] = nums_dict[10] + 1 + else: + print(chian['name']) + + + # data.append(chian) + # + f.close() + output_pathindex=output_path+filelist.split('/')[-1].split('.')[0]+'_detail.jsonl' + print('we want to write now') + with open(output_pathindex, 'w') as f: + for entry in data: + f.write(json.dumps(entry) + '\n') + + f.close() + #print(nums_dict) + # count(output_pathindex) + print('finished') +def list_of_groups(list_info, per_list_len): + ''' + :param list_info: 列表 + :param per_list_len: 每个小列表的长度 + :return: + ''' + list_of_group = zip(*(iter(list_info),) *per_list_len) + end_list = [list(i) for i in list_of_group] # i is a tuple + count = len(list_info) % per_list_len + end_list.append(list_info[-count:]) if count !=0 else end_list + return end_list + +def count(filelist): + with open(filelist) as f: + + lines = f.readlines() + plddts=[] + + for i in tqdm.tqdm(lines): + pl=json.loads(i)['meanplddt'] + plddts.append(int(pl/10)) + + for i in range(10): + print('counts '+str(i),plddts.count(i)) + +def run_net_aftest(files_path,output_path): + """ + input is pdbgz's dir + """ + with open(files_path) as f: + lines = f.readlines() + data=[] + for i in tqdm.tqdm(lines): + + data_chains=parse_pdb_split_chain_af('/media/junyu/data/point_cloud/'+i.split('"')[1]) + for chian in data_chains: + data.append(chian) + + # print('we want to write now') + # with open(output_path, 'w') as f: + # for entry in data: + # f.write(json.dumps(entry) + '\n') + # + # f.close() + # print('finished') + + output_pathindex = output_path + str(80) + 'bigthanclass_1000.text' + print('we want to write now') + with open(output_pathindex, 'w') as f: + for entry in data: + f.write(entry + '\n') + + + f.close() + +# if __name__ == "__main__": +# files_path='/media/junyu/data/perotin/chain_set/AFDATA/details/80bigthanclass_1000.jsonl' #'/home/junyu/下载/splits/'# +# output_path='/media/junyu/data/perotin/chain_set/' + + + +# # run_net_aftest(files_path,output_path) + +# fakedata='//home/oem/pdb-tools/pdbtools/fixed/' +# run_net(fakedata,output_path+'tim184.jsonl') + + + + # + # f.close() + # # print(nums_dict) + # print('finished ' +str(i)) + + + # alllist=list_of_groups(lists,10000) + + # for i in range(len(alllist)): + # thislist=alllist[i] + # with open(output_path+'_'+str(i)+'.jsonl', 'w') as f: + # for entry in thislist: + # f.write(json.dumps(entry) + '\n') + # + # f.close() + # # print(nums_dict) + # print('finished ' +str(i)) + + # _processes = [] + + + + # q = multiprocessing.Queue() + # + # proc.start() + # for eachlist in alllist: + # _process = multiprocessing.Process(target=run_netbyondif, args=(eachlist,)) + # _process.start() + + + # run_netbyondif(lists,output_path) \ No newline at end of file diff --git a/Flexpert-Design/download-cath-data.sh b/Flexpert-Design/download-cath-data.sh new file mode 100644 index 0000000000000000000000000000000000000000..1880102d40f283278453722a176cf7864a131206 --- /dev/null +++ b/Flexpert-Design/download-cath-data.sh @@ -0,0 +1,17 @@ +#!/bin/bash +echo "Downloading CATH data..." + +# Create data directory if it doesn't exist +mkdir -p ../data/ + +# Set file information +URL="https://data.ciirc.cvut.cz/public/projects/2025Flexpert/cath4.3/" +OUTPUT_DIR="../data/cath4.3" + +# Download directory recursively +echo "Downloading CATH data..." +wget --no-check-certificate -r -np -nH --cut-dirs=3 --reject "index.html*" \ + --directory-prefix=${OUTPUT_DIR} ${URL} + +echo "CATH data download completed." + diff --git a/Flexpert-Design/model_interface.py b/Flexpert-Design/model_interface.py new file mode 100644 index 0000000000000000000000000000000000000000..d5b35584c88127182ef0d8e519a7f3f65267594f --- /dev/null +++ b/Flexpert-Design/model_interface.py @@ -0,0 +1,631 @@ +import sys; sys.path.append('/huyuqi/xmyu/DiffSDS') +import inspect +import torch +from src.tools.utils import cuda +import torch.nn as nn +import os +from torcheval.metrics.text import Perplexity +from src.interface.model_interface import MInterface_base +import math +import torch.nn.functional as F +from omegaconf import OmegaConf +from src.tools.utils import load_yaml_config +import torchmetrics + +class MInterface(MInterface_base): + def __init__(self, model_name=None, loss=None, lr=None, **kwargs): + super().__init__() + self.save_hyperparameters() + self.load_model() + self.use_dynamics = kwargs.get('use_dynamics', 0) + self.flex_loss_coeff = torch.Tensor([kwargs.get('flex_loss_coeff', 0)]).to('cuda:0').to(torch.float) + self.flex_loss_coeff.requires_grad = False + if self.use_dynamics: + self.load_flex_predictor() + self.flex_loss_type = kwargs.get('loss_fn', 0) + if self.flex_loss_type == 'MSE': + self.flex_loss_fn = nn.MSELoss(reduction='none') + elif self.flex_loss_type == 'L1': + self.flex_loss_fn = nn.L1Loss(reduction='none') + elif self.flex_loss_type == 'DPO': + self.flex_loss_fn = ... + else: + raise ValueError(f"Not recognized type of loss function {self.flex_loss_type}") + self.cross_entropy = nn.NLLLoss(reduction='none') + os.makedirs(os.path.join(self.hparams.res_dir, self.hparams.ex_name), exist_ok=True) + + self.control_sum_recovery = 0 + self.control_sum_batch_sizes = 0 + + self.grad_normalization = kwargs.get('grad_normalization', 0) + self.use_pmpnn_checkpoint = kwargs.get('use_pmpnn_checkpoint',0) + + if self.use_pmpnn_checkpoint: + print('Loading pmpnn checkpoint from {}'.format(self.model.pmpnn_init_weights_path)) + state_dict = torch.load(self.model.pmpnn_init_weights_path)['state_dict'] #['module'] + state_dict = {key: value for key, value in state_dict.items() if 'model.' in key[:6]} + state_dict = {key.replace("model.", ""): value for key, value in state_dict.items()} + self.model.load_state_dict(state_dict) + + self.MSE = nn.MSELoss(reduction='none') + self.automatic_optimization = False + + if self.hparams.use_dynamics: + self.pearson = torchmetrics.PearsonCorrCoef() + self.spearman = torchmetrics.SpearmanCorrCoef() + self.validation_step_outputs = [] + self.test_step_outputs = [] + + #### setting forward hook + + # def forward_hook(module, input, output): + # def check_nan(tensor): + # if isinstance(tensor, torch.Tensor): + # if torch.isnan(tensor).any(): + # print(f"NaN detected in the output of {type(module).__name__}") + # print(f"Tensor shape: {tensor.shape}") + # print(f"Tensor stats: mean={tensor.mean()}, std={tensor.std()}, min={tensor.min()}, max={tensor.max()}, all={torch.isnan(tensor).all()}") + # elif isinstance(tensor, tuple): + # for i, t in enumerate(tensor): + # if isinstance(t, torch.Tensor): + # if torch.isnan(t).any(): + # print(f"NaN detected in the output[{i}] of {type(module).__name__}") + # print(f"Tensor shape: {t.shape}") + # print(f"Tensor stats: mean={t.mean()}, std={t.std()}, min={t.min()}, max={t.max()}, all={torch.isnan(tensor).all()}") + + # if isinstance(output, tuple): + # for i, out in enumerate(output): + # check_nan(out) + # else: + # check_nan(output) + + # for name, module in self.model.named_modules(): + # module.register_forward_hook(forward_hook) + + # for name, module in self.flex_model.named_modules(): + # module.register_forward_hook(forward_hook) + + #### + + def forward(self, batch, mode='train', temperature=1.0): + if self.hparams.augment_eps>0: + batch['X'] = batch['X'] + self.hparams.augment_eps * torch.randn_like(batch['X']) + + batch = self.model._get_features(batch) + results = self.model(batch) + + log_probs, mask = results['log_probs'], batch['mask'] + if len(log_probs.shape) == 3: + if self.hparams.use_dynamics: + loss = self.combined_flex_aware_loss(batch, pred_log_probs=log_probs) + #loss = loss_dict['combined_loss'] + else: + loss = self.cross_entropy(log_probs.permute(0,2,1), batch['S']) + loss = (loss*mask).sum()/(mask.sum()) + elif len(log_probs.shape) == 2: + if self.hparams.model_name == 'GVP': + loss = self.cross_entropy(log_probs, batch.seq) + else: + loss = self.cross_entropy(log_probs, batch['S']) + + if self.hparams.model_name == 'AlphaDesign': + loss += self.cross_entropy(results['log_probs0'], batch['S']) + loss = (loss*mask).sum()/(mask.sum()) + + cmp = log_probs.argmax(dim=-1)==batch['S'] + recovery = (cmp*mask).sum()/(mask.sum()) + + if mode == 'predict': + return {'original_sequence':batch['S'],'correct_positions': cmp, 'mask':mask,'loss':loss, 'recovery':recovery, 'title':batch['title'], 'log_probs': log_probs, 'batch':batch} #, 'gt_bfactors': batch['norm_bfactors'], 'batch':batch} + elif mode == 'eval': + return {'original_sequence':batch['S'],'correct_positions': cmp, 'mask':mask,'loss':loss, 'recovery':recovery, 'title':batch['title'], 'log_probs': log_probs, 'batch':batch} + else: + return loss, recovery + + def avgCorrelations(self, preds, gts, masks): + pearson_R = 0 + spearman_R = 0 + valid_datapoints = 0 + for pred, gt, mask in zip(preds, gts, masks): + dpR = self.pearson(pred[torch.where(mask)], gt[torch.where(mask)]) + if torch.isnan(dpR): + continue + else: + pearson_R += dpR + spearman_R += self.spearman(pred[torch.where(mask)], gt[torch.where(mask)]) + valid_datapoints += 1 + return pearson_R/valid_datapoints, spearman_R/valid_datapoints + + def temperature_schedular(self, batch_idx): + total_steps = self.hparams.steps_per_epoch*self.hparams.epoch + + initial_lr = 1.0 + circle_steps = total_steps//100 + x = batch_idx / total_steps + threshold = 0.48 + if x 0 or args.dataset=='PDBInference') and (len(args.infer_path) == 0 or args.dataset!='PDBInference'): + raise ValueError("You should only use --infer_path with --dataset 'PDBInference' and vice versa.") + + + # Load model weights from checkpoint if provided + if args.checkpoint_path is not None: + trained_model_path = args.checkpoint_path + print(f"Loading model weights from checkpoint passed by argument: {trained_model_path}") + else: + with open('configs/Flexpert-Design-inference.yaml', 'r') as f: + config = yaml.load(f, Loader=yaml.FullLoader) + trained_model_path = config['pmpnn_model_path'] + print(f"Loading model weights from checkpoint specified in Flexpert-Design-inference.yaml: {trained_model_path}") + + if os.path.exists(trained_model_path): + print(f"Rewriting the path to the Flexpert-Design trained ProteinMPNN weights in the model interface.") + args.starting_checkpoint_path = trained_model_path + else: + raise FileNotFoundError(f"Checkpoint file not found at {trained_model_path}") + + pl.seed_everything(args.seed) + + data_module = DInterface(**vars(args)) + + data_module.setup(stage='predict') + + model = MInterface(**vars(args)) + + + trainer_config = { + 'devices': 1, + 'max_epochs': 1, + 'num_nodes': 1, + "strategy": 'ddp', + "precision": '32', + 'accelerator': 'gpu', + 'val_check_interval': args.val_check_interval, + 'check_val_every_n_epoch': args.check_val_every_n_epoch + } + + trainer = Trainer(**trainer_config) + + predictions = trainer.predict(model, data_module) + + tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir='./cache_dir/') # mask token: 32 + + + serializable_predictions = [] + for pred_idx, pred in enumerate(predictions): + logprobs = pred['log_probs'].cpu().numpy()[0] # [L, 21] + pmpnn_alphabet_tokens_argmax = logprobs.argmax(axis=-1) # [L] + + aa_sequence = ''.join(tokenizer.decode(pmpnn_alphabet_tokens_argmax, skip_special_tokens=True).split()) + + # Get probability of the predicted sequence + seq_probs = np.exp(logprobs.max(axis=-1)) # [L] + avg_prob = float(np.mean(seq_probs)) + + serializable_predictions.append({ + 'prediction_id': pred['batch']['title'][0], + 'amino_acid_sequence': aa_sequence + }) + + with open(f'{args.infer_path}/predictions.txt', 'w') as f: + for pred in serializable_predictions: + f.write(f'>{pred["prediction_id"]}\n{pred["amino_acid_sequence"]}\n') diff --git a/Flexpert-Design/predict_example/1ah7_A.pdb b/Flexpert-Design/predict_example/1ah7_A.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9643910bd4261ec9b368ec0768be63b88afcc54e --- /dev/null +++ b/Flexpert-Design/predict_example/1ah7_A.pdb @@ -0,0 +1,3903 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 63.467 66.973 76.658 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N TRP 1 32.040 34.050 32.090 1.00 0.00 N +ATOM 2 H1 TRP 1 31.440 33.310 31.670 1.00 0.00 H +ATOM 3 H2 TRP 1 31.608 34.260 33.012 1.00 0.00 H +ATOM 4 H3 TRP 1 31.970 34.864 31.446 1.00 0.00 H +ATOM 5 CA TRP 1 33.360 33.420 32.180 1.00 0.00 C +ATOM 6 HA TRP 1 34.038 34.098 31.682 1.00 0.00 H +ATOM 7 CB TRP 1 33.880 33.230 33.670 1.00 0.00 C +ATOM 8 HB1 TRP 1 33.236 32.506 34.212 1.00 0.00 H +ATOM 9 HB2 TRP 1 34.898 32.790 33.590 1.00 0.00 H +ATOM 10 CG TRP 1 34.040 34.400 34.550 1.00 0.00 C +ATOM 11 CD1 TRP 1 33.250 34.680 35.610 1.00 0.00 C +ATOM 12 HD1 TRP 1 32.540 33.930 35.930 1.00 0.00 H +ATOM 13 NE1 TRP 1 33.670 35.730 36.320 1.00 0.00 N +ATOM 14 HE1 TRP 1 33.200 36.080 37.100 1.00 0.00 H +ATOM 15 CE2 TRP 1 34.760 36.270 35.660 1.00 0.00 C +ATOM 16 CD2 TRP 1 35.090 35.410 34.560 1.00 0.00 C +ATOM 17 CE3 TRP 1 36.310 35.670 33.900 1.00 0.00 C +ATOM 18 HE3 TRP 1 36.730 35.068 33.108 1.00 0.00 H +ATOM 19 CZ3 TRP 1 37.040 36.780 34.300 1.00 0.00 C +ATOM 20 HZ3 TRP 1 37.922 37.030 33.728 1.00 0.00 H +ATOM 21 CZ2 TRP 1 35.540 37.310 36.090 1.00 0.00 C +ATOM 22 HZ2 TRP 1 35.190 37.930 36.902 1.00 0.00 H +ATOM 23 CH2 TRP 1 36.730 37.530 35.430 1.00 0.00 C +ATOM 24 HH2 TRP 1 37.252 38.454 35.622 1.00 0.00 H +ATOM 25 C TRP 1 33.490 32.110 31.480 1.00 0.00 C +ATOM 26 O TRP 1 32.540 31.400 31.180 1.00 0.00 O +ATOM 27 N SER 2 34.740 31.820 31.020 1.00 0.00 N +ATOM 28 HN SER 2 35.506 32.438 30.860 1.00 0.00 H +ATOM 29 CA SER 2 34.880 30.520 30.350 1.00 0.00 C +ATOM 30 HA SER 2 34.180 30.450 29.530 1.00 0.00 H +ATOM 31 CB SER 2 36.290 30.260 29.620 1.00 0.00 C +ATOM 32 HB1 SER 2 36.460 29.232 29.232 1.00 0.00 H +ATOM 33 HB2 SER 2 36.450 31.002 28.808 1.00 0.00 H +ATOM 34 OG SER 2 37.320 30.530 30.530 1.00 0.00 O +ATOM 35 HG1 SER 2 38.192 30.500 30.130 1.00 0.00 H +ATOM 36 C SER 2 34.610 29.280 31.180 1.00 0.00 C +ATOM 37 O SER 2 34.750 29.260 32.440 1.00 0.00 O +ATOM 38 N ALA 3 34.190 28.210 30.560 1.00 0.00 N +ATOM 39 HN ALA 3 34.080 28.200 29.570 1.00 0.00 H +ATOM 40 CA ALA 3 33.700 26.950 31.160 1.00 0.00 C +ATOM 41 HA ALA 3 34.210 26.890 32.110 1.00 0.00 H +ATOM 42 CB ALA 3 32.210 27.050 31.560 1.00 0.00 C +ATOM 43 HB1 ALA 3 31.990 27.910 32.230 1.00 0.00 H +ATOM 44 HB2 ALA 3 31.498 27.070 30.708 1.00 0.00 H +ATOM 45 HB3 ALA 3 31.920 26.140 32.130 1.00 0.00 H +ATOM 46 C ALA 3 33.950 25.720 30.340 1.00 0.00 C +ATOM 47 O ALA 3 33.300 24.670 30.520 1.00 0.00 O +ATOM 48 N GLU 4 34.930 25.790 29.390 1.00 0.00 N +ATOM 49 HN GLU 4 35.518 26.596 29.410 1.00 0.00 H +ATOM 50 CA GLU 4 34.910 24.910 28.200 1.00 0.00 C +ATOM 51 HA GLU 4 33.882 24.920 27.870 1.00 0.00 H +ATOM 52 CB GLU 4 35.770 25.360 27.080 1.00 0.00 C +ATOM 53 HB1 GLU 4 36.822 25.430 27.430 1.00 0.00 H +ATOM 54 HB2 GLU 4 35.690 24.688 26.198 1.00 0.00 H +ATOM 55 CG GLU 4 35.240 26.730 26.640 1.00 0.00 C +ATOM 56 HG1 GLU 4 34.138 26.620 26.550 1.00 0.00 H +ATOM 57 HG2 GLU 4 35.520 27.500 27.390 1.00 0.00 H +ATOM 58 CD GLU 4 35.720 27.180 25.300 1.00 0.00 C +ATOM 59 OE1 GLU 4 35.210 28.270 24.810 1.00 0.00 O +ATOM 60 OE2 GLU 4 36.600 26.530 24.690 1.00 0.00 O +ATOM 61 C GLU 4 35.260 23.460 28.460 1.00 0.00 C +ATOM 62 O GLU 4 34.840 22.550 27.740 1.00 0.00 O +ATOM 63 N ASP 5 36.060 23.230 29.550 1.00 0.00 N +ATOM 64 HN ASP 5 36.428 24.036 30.008 1.00 0.00 H +ATOM 65 CA ASP 5 36.370 21.840 29.990 1.00 0.00 C +ATOM 66 HA ASP 5 35.780 21.200 29.350 1.00 0.00 H +ATOM 67 CB ASP 5 37.800 21.300 29.760 1.00 0.00 C +ATOM 68 HB1 ASP 5 38.158 21.280 28.708 1.00 0.00 H +ATOM 69 HB2 ASP 5 38.596 21.886 30.268 1.00 0.00 H +ATOM 70 CG ASP 5 37.950 19.790 30.150 1.00 0.00 C +ATOM 71 OD1 ASP 5 37.490 19.300 31.230 1.00 0.00 O +ATOM 72 OD2 ASP 5 38.590 19.060 29.340 1.00 0.00 O +ATOM 73 C ASP 5 35.750 21.640 31.350 1.00 0.00 C +ATOM 74 O ASP 5 35.850 22.440 32.260 1.00 0.00 O +ATOM 75 N LYS 6 35.000 20.530 31.550 1.00 0.00 N +ATOM 76 HN LYS 6 34.930 19.904 30.776 1.00 0.00 H +ATOM 77 CA LYS 6 34.320 20.200 32.740 1.00 0.00 C +ATOM 78 HA LYS 6 33.710 21.050 33.010 1.00 0.00 H +ATOM 79 CB LYS 6 33.410 18.980 32.360 1.00 0.00 C +ATOM 80 HB1 LYS 6 32.728 19.220 31.518 1.00 0.00 H +ATOM 81 HB2 LYS 6 34.016 18.116 32.012 1.00 0.00 H +ATOM 82 CG LYS 6 32.460 18.560 33.560 1.00 0.00 C +ATOM 83 HG1 LYS 6 33.098 18.122 34.358 1.00 0.00 H +ATOM 84 HG2 LYS 6 31.992 19.494 33.938 1.00 0.00 H +ATOM 85 CD LYS 6 31.340 17.650 33.050 1.00 0.00 C +ATOM 86 HD1 LYS 6 30.582 17.560 33.858 1.00 0.00 H +ATOM 87 HD2 LYS 6 30.836 18.236 32.252 1.00 0.00 H +ATOM 88 CE LYS 6 31.720 16.250 32.530 1.00 0.00 C +ATOM 89 HE1 LYS 6 32.630 16.340 31.900 1.00 0.00 H +ATOM 90 HE2 LYS 6 32.032 15.598 33.374 1.00 0.00 H +ATOM 91 NZ LYS 6 30.660 15.540 31.770 1.00 0.00 N +ATOM 92 HZ1 LYS 6 29.722 15.900 32.040 1.00 0.00 H +ATOM 93 HZ2 LYS 6 30.800 15.802 30.774 1.00 0.00 H +ATOM 94 HZ3 LYS 6 30.750 14.510 31.890 1.00 0.00 H +ATOM 95 C LYS 6 35.350 19.910 33.900 1.00 0.00 C +ATOM 96 O LYS 6 35.040 20.330 35.010 1.00 0.00 O +ATOM 97 N HIS 7 36.490 19.230 33.750 1.00 0.00 N +ATOM 98 HN HIS 7 36.660 18.840 32.848 1.00 0.00 H +ATOM 99 CA HIS 7 37.450 18.910 34.820 1.00 0.00 C +ATOM 100 HA HIS 7 37.000 19.280 35.730 1.00 0.00 H +ATOM 101 CB HIS 7 37.550 17.370 34.830 1.00 0.00 C +ATOM 102 HB1 HIS 7 37.770 17.010 33.802 1.00 0.00 H +ATOM 103 HB2 HIS 7 38.250 17.070 35.640 1.00 0.00 H +ATOM 104 ND1 HIS 7 35.630 16.770 36.220 1.00 0.00 N +ATOM 105 HD1 HIS 7 36.000 17.070 37.100 1.00 0.00 H +ATOM 106 CG HIS 7 36.200 16.730 35.050 1.00 0.00 C +ATOM 107 CE1 HIS 7 34.570 15.940 36.180 1.00 0.00 C +ATOM 108 HE1 HIS 7 33.990 15.780 37.090 1.00 0.00 H +ATOM 109 NE2 HIS 7 34.360 15.360 35.030 1.00 0.00 N +ATOM 110 CD2 HIS 7 35.450 15.890 34.270 1.00 0.00 C +ATOM 111 HD2 HIS 7 35.590 15.610 33.232 1.00 0.00 H +ATOM 112 C HIS 7 38.810 19.640 34.740 1.00 0.00 C +ATOM 113 O HIS 7 39.540 19.540 35.720 1.00 0.00 O +ATOM 114 N LYS 8 39.100 20.440 33.690 1.00 0.00 N +ATOM 115 HN LYS 8 38.486 20.490 32.906 1.00 0.00 H +ATOM 116 CA LYS 8 40.370 21.180 33.510 1.00 0.00 C +ATOM 117 HA LYS 8 41.058 20.812 34.258 1.00 0.00 H +ATOM 118 CB LYS 8 41.050 20.930 32.150 1.00 0.00 C +ATOM 119 HB1 LYS 8 40.298 21.222 31.388 1.00 0.00 H +ATOM 120 HB2 LYS 8 41.940 21.580 32.000 1.00 0.00 H +ATOM 121 CG LYS 8 41.530 19.480 31.940 1.00 0.00 C +ATOM 122 HG1 LYS 8 42.274 19.198 32.714 1.00 0.00 H +ATOM 123 HG2 LYS 8 40.612 18.860 32.030 1.00 0.00 H +ATOM 124 CD LYS 8 42.200 19.020 30.640 1.00 0.00 C +ATOM 125 HD1 LYS 8 41.610 19.270 29.732 1.00 0.00 H +ATOM 126 HD2 LYS 8 43.174 19.552 30.600 1.00 0.00 H +ATOM 127 CE LYS 8 42.300 17.510 30.750 1.00 0.00 C +ATOM 128 HE1 LYS 8 42.788 17.310 31.728 1.00 0.00 H +ATOM 129 HE2 LYS 8 41.284 17.072 30.850 1.00 0.00 H +ATOM 130 NZ LYS 8 43.000 16.990 29.590 1.00 0.00 N +ATOM 131 HZ1 LYS 8 44.018 17.200 29.650 1.00 0.00 H +ATOM 132 HZ2 LYS 8 42.960 15.954 29.650 1.00 0.00 H +ATOM 133 HZ3 LYS 8 42.600 17.300 28.680 1.00 0.00 H +ATOM 134 C LYS 8 40.330 22.700 33.670 1.00 0.00 C +ATOM 135 O LYS 8 39.660 23.430 32.980 1.00 0.00 O +ATOM 136 N GLU 9 41.170 23.330 34.570 1.00 0.00 N +ATOM 137 HN GLU 9 41.802 22.838 35.162 1.00 0.00 H +ATOM 138 CA GLU 9 41.300 24.750 34.810 1.00 0.00 C +ATOM 139 HA GLU 9 40.278 25.070 34.950 1.00 0.00 H +ATOM 140 CB GLU 9 42.140 25.170 36.100 1.00 0.00 C +ATOM 141 HB1 GLU 9 43.128 24.680 35.960 1.00 0.00 H +ATOM 142 HB2 GLU 9 42.270 26.274 36.100 1.00 0.00 H +ATOM 143 CG GLU 9 41.660 24.760 37.520 1.00 0.00 C +ATOM 144 HG1 GLU 9 40.668 25.202 37.750 1.00 0.00 H +ATOM 145 HG2 GLU 9 41.342 23.696 37.530 1.00 0.00 H +ATOM 146 CD GLU 9 42.640 25.010 38.650 1.00 0.00 C +ATOM 147 OE1 GLU 9 43.710 25.600 38.350 1.00 0.00 O +ATOM 148 OE2 GLU 9 42.370 24.560 39.830 1.00 0.00 O +ATOM 149 C GLU 9 41.810 25.610 33.620 1.00 0.00 C +ATOM 150 O GLU 9 41.220 26.670 33.300 1.00 0.00 O +ATOM 151 N GLY 10 42.790 25.050 32.850 1.00 0.00 N +ATOM 152 HN GLY 10 43.230 24.190 33.100 1.00 0.00 H +ATOM 153 CA GLY 10 43.250 25.670 31.570 1.00 0.00 C +ATOM 154 HA1 GLY 10 44.024 26.334 31.922 1.00 0.00 H +ATOM 155 HA2 GLY 10 43.750 24.910 30.990 1.00 0.00 H +ATOM 156 C GLY 10 42.250 26.390 30.640 1.00 0.00 C +ATOM 157 O GLY 10 42.520 27.500 30.230 1.00 0.00 O +ATOM 158 N VAL 11 41.040 25.820 30.340 1.00 0.00 N +ATOM 159 HN VAL 11 40.850 24.910 30.700 1.00 0.00 H +ATOM 160 CA VAL 11 40.000 26.450 29.580 1.00 0.00 C +ATOM 161 HA VAL 11 40.290 27.452 29.300 1.00 0.00 H +ATOM 162 CB VAL 11 39.840 25.840 28.210 1.00 0.00 C +ATOM 163 HB VAL 11 39.050 26.350 27.620 1.00 0.00 H +ATOM 164 CG1 VAL 11 41.120 25.960 27.420 1.00 0.00 C +ATOM 165 1HG1 VAL 11 41.892 25.308 27.882 1.00 0.00 H +ATOM 166 2HG1 VAL 11 40.940 25.540 26.408 1.00 0.00 H +ATOM 167 3HG1 VAL 11 41.522 26.996 27.410 1.00 0.00 H +ATOM 168 CG2 VAL 11 39.390 24.320 28.280 1.00 0.00 C +ATOM 169 1HG2 VAL 11 40.084 23.706 28.894 1.00 0.00 H +ATOM 170 2HG2 VAL 11 38.314 24.280 28.558 1.00 0.00 H +ATOM 171 3HG2 VAL 11 39.320 23.890 27.258 1.00 0.00 H +ATOM 172 C VAL 11 38.660 26.670 30.320 1.00 0.00 C +ATOM 173 O VAL 11 37.640 27.110 29.730 1.00 0.00 O +ATOM 174 N ASN 12 38.640 26.520 31.630 1.00 0.00 N +ATOM 175 HN ASN 12 39.378 26.150 32.188 1.00 0.00 H +ATOM 176 CA ASN 12 37.520 26.930 32.410 1.00 0.00 C +ATOM 177 HA ASN 12 36.764 27.348 31.762 1.00 0.00 H +ATOM 178 CB ASN 12 36.900 25.550 32.860 1.00 0.00 C +ATOM 179 HB1 ASN 12 36.752 24.934 31.946 1.00 0.00 H +ATOM 180 HB2 ASN 12 37.680 25.060 33.480 1.00 0.00 H +ATOM 181 CG ASN 12 35.660 25.660 33.730 1.00 0.00 C +ATOM 182 OD1 ASN 12 35.430 26.700 34.410 1.00 0.00 O +ATOM 183 ND2 ASN 12 34.880 24.650 33.770 1.00 0.00 N +ATOM 184 1HD2 ASN 12 35.010 23.874 33.152 1.00 0.00 H +ATOM 185 2HD2 ASN 12 34.218 24.550 34.512 1.00 0.00 H +ATOM 186 C ASN 12 37.910 27.890 33.480 1.00 0.00 C +ATOM 187 O ASN 12 38.540 27.590 34.480 1.00 0.00 O +ATOM 188 N SER 13 37.740 29.180 33.230 1.00 0.00 N +ATOM 189 HN SER 13 37.340 29.480 32.368 1.00 0.00 H +ATOM 190 CA SER 13 37.870 30.240 34.210 1.00 0.00 C +ATOM 191 HA SER 13 38.850 30.340 34.650 1.00 0.00 H +ATOM 192 CB SER 13 37.570 31.630 33.580 1.00 0.00 C +ATOM 193 HB1 SER 13 36.678 31.460 32.940 1.00 0.00 H +ATOM 194 HB2 SER 13 37.310 32.352 34.382 1.00 0.00 H +ATOM 195 OG SER 13 38.620 32.090 32.710 1.00 0.00 O +ATOM 196 HG1 SER 13 38.690 31.408 32.038 1.00 0.00 H +ATOM 197 C SER 13 36.960 30.050 35.430 1.00 0.00 C +ATOM 198 O SER 13 37.430 30.290 36.500 1.00 0.00 O +ATOM 199 N HIS 14 35.680 29.710 35.340 1.00 0.00 N +ATOM 200 HN HIS 14 35.230 29.450 34.490 1.00 0.00 H +ATOM 201 CA HIS 14 34.870 29.510 36.510 1.00 0.00 C +ATOM 202 HA HIS 14 34.880 30.400 37.120 1.00 0.00 H +ATOM 203 CB HIS 14 33.360 29.090 36.250 1.00 0.00 C +ATOM 204 HB1 HIS 14 33.340 28.210 35.570 1.00 0.00 H +ATOM 205 HB2 HIS 14 32.848 28.808 37.194 1.00 0.00 H +ATOM 206 ND1 HIS 14 32.050 31.230 36.480 1.00 0.00 N +ATOM 207 CG HIS 14 32.480 30.180 35.670 1.00 0.00 C +ATOM 208 CE1 HIS 14 31.000 31.800 35.820 1.00 0.00 C +ATOM 209 HE1 HIS 14 30.394 32.666 36.088 1.00 0.00 H +ATOM 210 NE2 HIS 14 30.720 31.190 34.640 1.00 0.00 N +ATOM 211 HE2 HIS 14 29.870 31.270 34.120 1.00 0.00 H +ATOM 212 CD2 HIS 14 31.710 30.220 34.490 1.00 0.00 C +ATOM 213 HD2 HIS 14 31.650 29.440 33.740 1.00 0.00 H +ATOM 214 C HIS 14 35.360 28.460 37.520 1.00 0.00 C +ATOM 215 O HIS 14 35.380 28.710 38.740 1.00 0.00 O +ATOM 216 N LEU 15 35.760 27.240 37.060 1.00 0.00 N +ATOM 217 HN LEU 15 35.730 27.040 36.084 1.00 0.00 H +ATOM 218 CA LEU 15 36.410 26.170 37.880 1.00 0.00 C +ATOM 219 HA LEU 15 35.740 25.920 38.690 1.00 0.00 H +ATOM 220 CB LEU 15 36.750 24.910 36.990 1.00 0.00 C +ATOM 221 HB1 LEU 15 35.794 24.648 36.488 1.00 0.00 H +ATOM 222 HB2 LEU 15 37.298 25.150 36.054 1.00 0.00 H +ATOM 223 CG LEU 15 37.340 23.700 37.720 1.00 0.00 C +ATOM 224 HG LEU 15 38.364 23.810 38.138 1.00 0.00 H +ATOM 225 CD1 LEU 15 36.480 23.108 38.880 1.00 0.00 C +ATOM 226 1HD1 LEU 15 36.818 22.124 39.268 1.00 0.00 H +ATOM 227 2HD1 LEU 15 36.328 23.888 39.658 1.00 0.00 H +ATOM 228 3HD1 LEU 15 35.454 22.880 38.522 1.00 0.00 H +ATOM 229 CD2 LEU 15 37.520 22.560 36.640 1.00 0.00 C +ATOM 230 1HD2 LEU 15 36.558 22.270 36.168 1.00 0.00 H +ATOM 231 2HD2 LEU 15 38.210 22.820 35.810 1.00 0.00 H +ATOM 232 3HD2 LEU 15 38.000 21.650 37.060 1.00 0.00 H +ATOM 233 C LEU 15 37.680 26.630 38.530 1.00 0.00 C +ATOM 234 O LEU 15 37.940 26.330 39.700 1.00 0.00 O +ATOM 235 N TRP 16 38.390 27.440 37.790 1.00 0.00 N +ATOM 236 HN TRP 16 37.940 27.830 36.990 1.00 0.00 H +ATOM 237 CA TRP 16 39.590 28.130 38.290 1.00 0.00 C +ATOM 238 HA TRP 16 40.322 27.398 38.600 1.00 0.00 H +ATOM 239 CB TRP 16 40.460 28.880 37.230 1.00 0.00 C +ATOM 240 HB1 TRP 16 40.720 28.062 36.522 1.00 0.00 H +ATOM 241 HB2 TRP 16 39.840 29.640 36.710 1.00 0.00 H +ATOM 242 CG TRP 16 41.740 29.530 37.690 1.00 0.00 C +ATOM 243 CD1 TRP 16 43.040 29.110 37.660 1.00 0.00 C +ATOM 244 HD1 TRP 16 43.398 28.152 37.312 1.00 0.00 H +ATOM 245 NE1 TRP 16 43.970 30.070 38.020 1.00 0.00 N +ATOM 246 HE1 TRP 16 44.804 30.230 37.538 1.00 0.00 H +ATOM 247 CE2 TRP 16 43.190 31.210 38.440 1.00 0.00 C +ATOM 248 CD2 TRP 16 41.850 30.890 38.190 1.00 0.00 C +ATOM 249 CE3 TRP 16 40.900 31.930 38.440 1.00 0.00 C +ATOM 250 HE3 TRP 16 39.858 31.680 38.310 1.00 0.00 H +ATOM 251 CZ3 TRP 16 41.310 33.080 39.100 1.00 0.00 C +ATOM 252 HZ3 TRP 16 40.592 33.788 39.488 1.00 0.00 H +ATOM 253 CZ2 TRP 16 43.600 32.430 38.970 1.00 0.00 C +ATOM 254 HZ2 TRP 16 44.642 32.680 39.110 1.00 0.00 H +ATOM 255 CH2 TRP 16 42.670 33.390 39.230 1.00 0.00 C +ATOM 256 HH2 TRP 16 42.960 34.342 39.650 1.00 0.00 H +ATOM 257 C TRP 16 39.260 28.980 39.450 1.00 0.00 C +ATOM 258 O TRP 16 39.920 28.830 40.460 1.00 0.00 O +ATOM 259 N ILE 17 38.220 29.900 39.390 1.00 0.00 N +ATOM 260 HN ILE 17 37.662 30.120 38.592 1.00 0.00 H +ATOM 261 CA ILE 17 37.880 30.730 40.520 1.00 0.00 C +ATOM 262 HA ILE 17 38.812 31.192 40.810 1.00 0.00 H +ATOM 263 CB ILE 17 36.800 31.760 40.250 1.00 0.00 C +ATOM 264 HB ILE 17 35.944 31.206 39.808 1.00 0.00 H +ATOM 265 CG2 ILE 17 36.370 32.650 41.460 1.00 0.00 C +ATOM 266 1HG2 ILE 17 35.740 32.050 42.150 1.00 0.00 H +ATOM 267 2HG2 ILE 17 37.246 33.098 41.978 1.00 0.00 H +ATOM 268 3HG2 ILE 17 35.656 33.434 41.128 1.00 0.00 H +ATOM 269 CG1 ILE 17 37.200 32.640 39.080 1.00 0.00 C +ATOM 270 1HG1 ILE 17 38.040 33.360 39.190 1.00 0.00 H +ATOM 271 2HG1 ILE 17 37.540 31.938 38.288 1.00 0.00 H +ATOM 272 CD ILE 17 36.010 33.270 38.430 1.00 0.00 C +ATOM 273 HD1 ILE 17 35.180 32.570 38.190 1.00 0.00 H +ATOM 274 HD2 ILE 17 35.540 34.048 39.068 1.00 0.00 H +ATOM 275 HD3 ILE 17 36.248 33.708 37.436 1.00 0.00 H +ATOM 276 C ILE 17 37.430 29.960 41.710 1.00 0.00 C +ATOM 277 O ILE 17 37.860 30.270 42.810 1.00 0.00 O +ATOM 278 N VAL 18 36.590 28.990 41.540 1.00 0.00 N +ATOM 279 HN VAL 18 36.410 28.720 40.598 1.00 0.00 H +ATOM 280 CA VAL 18 36.220 28.120 42.650 1.00 0.00 C +ATOM 281 HA VAL 18 35.780 28.680 43.462 1.00 0.00 H +ATOM 282 CB VAL 18 35.110 27.140 42.350 1.00 0.00 C +ATOM 283 HB VAL 18 35.390 26.458 41.518 1.00 0.00 H +ATOM 284 CG1 VAL 18 34.740 26.290 43.610 1.00 0.00 C +ATOM 285 1HG1 VAL 18 33.700 25.900 43.570 1.00 0.00 H +ATOM 286 2HG1 VAL 18 35.428 25.422 43.690 1.00 0.00 H +ATOM 287 3HG1 VAL 18 34.800 26.910 44.530 1.00 0.00 H +ATOM 288 CG2 VAL 18 33.880 27.920 41.870 1.00 0.00 C +ATOM 289 1HG2 VAL 18 33.580 28.570 42.720 1.00 0.00 H +ATOM 290 2HG2 VAL 18 34.100 28.538 40.972 1.00 0.00 H +ATOM 291 3HG2 VAL 18 33.006 27.264 41.672 1.00 0.00 H +ATOM 292 C VAL 18 37.360 27.330 43.330 1.00 0.00 C +ATOM 293 O VAL 18 37.390 27.070 44.550 1.00 0.00 O +ATOM 294 N ASN 19 38.320 26.860 42.580 1.00 0.00 N +ATOM 295 HN ASN 19 38.360 27.020 41.598 1.00 0.00 H +ATOM 296 CA ASN 19 39.490 26.080 43.050 1.00 0.00 C +ATOM 297 HA ASN 19 39.078 25.406 43.784 1.00 0.00 H +ATOM 298 CB ASN 19 40.210 25.350 41.930 1.00 0.00 C +ATOM 299 HB1 ASN 19 40.310 25.968 41.012 1.00 0.00 H +ATOM 300 HB2 ASN 19 41.280 25.200 42.190 1.00 0.00 H +ATOM 301 CG ASN 19 39.580 23.950 41.530 1.00 0.00 C +ATOM 302 OD1 ASN 19 40.250 22.950 41.560 1.00 0.00 O +ATOM 303 ND2 ASN 19 38.250 23.980 41.200 1.00 0.00 N +ATOM 304 1HD2 ASN 19 37.928 24.904 40.998 1.00 0.00 H +ATOM 305 2HD2 ASN 19 37.812 23.184 40.782 1.00 0.00 H +ATOM 306 C ASN 19 40.480 27.040 43.820 1.00 0.00 C +ATOM 307 O ASN 19 40.840 26.710 44.920 1.00 0.00 O +ATOM 308 N ARG 20 40.750 28.290 43.330 1.00 0.00 N +ATOM 309 HN ARG 20 40.458 28.400 42.384 1.00 0.00 H +ATOM 310 CA ARG 20 41.300 29.450 43.900 1.00 0.00 C +ATOM 311 HA ARG 20 42.320 29.210 44.160 1.00 0.00 H +ATOM 312 CB ARG 20 41.520 30.560 42.880 1.00 0.00 C +ATOM 313 HB1 ARG 20 40.562 30.860 42.402 1.00 0.00 H +ATOM 314 HB2 ARG 20 41.930 31.462 43.382 1.00 0.00 H +ATOM 315 CG ARG 20 42.600 30.330 41.860 1.00 0.00 C +ATOM 316 HG1 ARG 20 42.220 29.682 41.042 1.00 0.00 H +ATOM 317 HG2 ARG 20 42.780 31.338 41.430 1.00 0.00 H +ATOM 318 CD ARG 20 43.930 29.690 42.310 1.00 0.00 C +ATOM 319 HD1 ARG 20 44.618 29.930 41.472 1.00 0.00 H +ATOM 320 HD2 ARG 20 44.478 30.158 43.156 1.00 0.00 H +ATOM 321 NE ARG 20 43.870 28.200 42.460 1.00 0.00 N +ATOM 322 HE ARG 20 43.820 27.750 43.352 1.00 0.00 H +ATOM 323 CZ ARG 20 43.800 27.330 41.480 1.00 0.00 C +ATOM 324 NH1 ARG 20 43.920 27.610 40.250 1.00 0.00 N +ATOM 325 1HH1 ARG 20 44.190 28.522 39.940 1.00 0.00 H +ATOM 326 2HH1 ARG 20 44.030 26.850 39.610 1.00 0.00 H +ATOM 327 NH2 ARG 20 43.670 26.070 41.780 1.00 0.00 N +ATOM 328 1HH2 ARG 20 43.620 25.752 42.726 1.00 0.00 H +ATOM 329 2HH2 ARG 20 43.500 25.510 40.970 1.00 0.00 H +ATOM 330 C ARG 20 40.630 29.910 45.170 1.00 0.00 C +ATOM 331 O ARG 20 41.320 30.050 46.180 1.00 0.00 O +ATOM 332 N ALA 21 39.280 30.130 45.240 1.00 0.00 N +ATOM 333 HN ALA 21 38.748 30.080 44.398 1.00 0.00 H +ATOM 334 CA ALA 21 38.580 30.310 46.490 1.00 0.00 C +ATOM 335 HA ALA 21 38.930 31.222 46.950 1.00 0.00 H +ATOM 336 CB ALA 21 37.160 30.700 46.140 1.00 0.00 C +ATOM 337 HB1 ALA 21 36.608 29.816 45.758 1.00 0.00 H +ATOM 338 HB2 ALA 21 36.610 31.050 47.040 1.00 0.00 H +ATOM 339 HB3 ALA 21 37.110 31.450 45.320 1.00 0.00 H +ATOM 340 C ALA 21 38.670 29.140 47.520 1.00 0.00 C +ATOM 341 O ALA 21 38.870 29.320 48.760 1.00 0.00 O +ATOM 342 N ILE 22 38.560 27.800 47.080 1.00 0.00 N +ATOM 343 HN ILE 22 38.322 27.582 46.136 1.00 0.00 H +ATOM 344 CA ILE 22 39.070 26.630 47.830 1.00 0.00 C +ATOM 345 HA ILE 22 38.472 26.540 48.726 1.00 0.00 H +ATOM 346 CB ILE 22 38.690 25.380 47.010 1.00 0.00 C +ATOM 347 HB ILE 22 39.038 25.410 45.954 1.00 0.00 H +ATOM 348 CG2 ILE 22 39.360 24.140 47.630 1.00 0.00 C +ATOM 349 1HG2 ILE 22 39.160 23.232 47.022 1.00 0.00 H +ATOM 350 2HG2 ILE 22 40.464 24.130 47.510 1.00 0.00 H +ATOM 351 3HG2 ILE 22 39.072 23.900 48.676 1.00 0.00 H +ATOM 352 CG1 ILE 22 37.120 25.210 47.110 1.00 0.00 C +ATOM 353 1HG1 ILE 22 36.798 25.010 48.154 1.00 0.00 H +ATOM 354 2HG1 ILE 22 36.630 26.100 46.660 1.00 0.00 H +ATOM 355 CD ILE 22 36.660 24.070 46.220 1.00 0.00 C +ATOM 356 HD1 ILE 22 35.574 23.840 46.270 1.00 0.00 H +ATOM 357 HD2 ILE 22 36.960 24.210 45.160 1.00 0.00 H +ATOM 358 HD3 ILE 22 37.068 23.174 46.738 1.00 0.00 H +ATOM 359 C ILE 22 40.590 26.650 48.300 1.00 0.00 C +ATOM 360 O ILE 22 40.850 26.220 49.420 1.00 0.00 O +ATOM 361 N ASP 23 41.600 27.200 47.590 1.00 0.00 N +ATOM 362 HN ASP 23 41.600 27.480 46.632 1.00 0.00 H +ATOM 363 CA ASP 23 42.880 27.500 48.260 1.00 0.00 C +ATOM 364 HA ASP 23 43.380 26.620 48.640 1.00 0.00 H +ATOM 365 CB ASP 23 43.880 27.970 47.120 1.00 0.00 C +ATOM 366 HB1 ASP 23 43.520 28.900 46.630 1.00 0.00 H +ATOM 367 HB2 ASP 23 44.814 28.198 47.676 1.00 0.00 H +ATOM 368 CG ASP 23 44.040 26.860 46.140 1.00 0.00 C +ATOM 369 OD1 ASP 23 44.130 25.660 46.480 1.00 0.00 O +ATOM 370 OD2 ASP 23 44.220 27.120 44.950 1.00 0.00 O +ATOM 371 C ASP 23 42.800 28.580 49.430 1.00 0.00 C +ATOM 372 O ASP 23 43.530 28.460 50.390 1.00 0.00 O +ATOM 373 N ILE 24 41.880 29.590 49.330 1.00 0.00 N +ATOM 374 HN ILE 24 41.402 29.720 48.464 1.00 0.00 H +ATOM 375 CA ILE 24 41.690 30.640 50.320 1.00 0.00 C +ATOM 376 HA ILE 24 42.548 31.258 50.540 1.00 0.00 H +ATOM 377 CB ILE 24 40.720 31.790 49.780 1.00 0.00 C +ATOM 378 HB ILE 24 39.770 31.260 49.550 1.00 0.00 H +ATOM 379 CG2 ILE 24 40.680 32.880 50.870 1.00 0.00 C +ATOM 380 1HG2 ILE 24 41.696 33.282 51.072 1.00 0.00 H +ATOM 381 2HG2 ILE 24 40.070 33.750 50.550 1.00 0.00 H +ATOM 382 3HG2 ILE 24 40.232 32.592 51.846 1.00 0.00 H +ATOM 383 CG1 ILE 24 41.310 32.480 48.530 1.00 0.00 C +ATOM 384 1HG1 ILE 24 42.358 32.800 48.710 1.00 0.00 H +ATOM 385 2HG1 ILE 24 41.400 31.738 47.708 1.00 0.00 H +ATOM 386 CD ILE 24 40.520 33.640 48.010 1.00 0.00 C +ATOM 387 HD1 ILE 24 40.540 34.564 48.626 1.00 0.00 H +ATOM 388 HD2 ILE 24 40.888 33.938 47.004 1.00 0.00 H +ATOM 389 HD3 ILE 24 39.478 33.270 47.920 1.00 0.00 H +ATOM 390 C ILE 24 41.190 30.070 51.650 1.00 0.00 C +ATOM 391 O ILE 24 41.610 30.370 52.780 1.00 0.00 O +ATOM 392 N MET 25 40.270 29.120 51.530 1.00 0.00 N +ATOM 393 HN MET 25 39.910 28.800 50.658 1.00 0.00 H +ATOM 394 CA MET 25 39.900 28.250 52.620 1.00 0.00 C +ATOM 395 HA MET 25 39.610 28.740 53.538 1.00 0.00 H +ATOM 396 CB MET 25 38.860 27.270 52.160 1.00 0.00 C +ATOM 397 HB1 MET 25 39.132 26.736 51.224 1.00 0.00 H +ATOM 398 HB2 MET 25 38.800 26.480 52.940 1.00 0.00 H +ATOM 399 CG MET 25 37.450 27.780 52.050 1.00 0.00 C +ATOM 400 HG1 MET 25 37.042 28.098 53.034 1.00 0.00 H +ATOM 401 HG2 MET 25 37.510 28.700 51.430 1.00 0.00 H +ATOM 402 SD MET 25 36.380 26.480 51.190 1.00 0.00 S +ATOM 403 CE MET 25 35.820 25.810 52.740 1.00 0.00 C +ATOM 404 HE1 MET 25 35.046 26.492 53.152 1.00 0.00 H +ATOM 405 HE2 MET 25 35.390 24.798 52.580 1.00 0.00 H +ATOM 406 HE3 MET 25 36.760 25.790 53.330 1.00 0.00 H +ATOM 407 C MET 25 41.080 27.390 53.230 1.00 0.00 C +ATOM 408 O MET 25 41.290 27.270 54.400 1.00 0.00 O +ATOM 409 N SER 26 41.850 26.640 52.360 1.00 0.00 N +ATOM 410 HN SER 26 41.622 26.452 51.408 1.00 0.00 H +ATOM 411 CA SER 26 43.060 25.930 52.810 1.00 0.00 C +ATOM 412 HA SER 26 42.738 25.176 53.514 1.00 0.00 H +ATOM 413 CB SER 26 43.870 25.180 51.660 1.00 0.00 C +ATOM 414 HB1 SER 26 44.272 25.854 50.874 1.00 0.00 H +ATOM 415 HB2 SER 26 44.772 24.780 52.170 1.00 0.00 H +ATOM 416 OG SER 26 43.050 24.140 51.190 1.00 0.00 O +ATOM 417 HG1 SER 26 43.050 24.060 50.234 1.00 0.00 H +ATOM 418 C SER 26 44.040 26.810 53.450 1.00 0.00 C +ATOM 419 O SER 26 44.580 26.550 54.530 1.00 0.00 O +ATOM 420 N ARG 27 44.300 28.060 52.900 1.00 0.00 N +ATOM 421 HN ARG 27 43.910 28.350 52.030 1.00 0.00 H +ATOM 422 CA ARG 27 45.280 29.050 53.510 1.00 0.00 C +ATOM 423 HA ARG 27 46.158 28.472 53.760 1.00 0.00 H +ATOM 424 CB ARG 27 45.740 30.190 52.570 1.00 0.00 C +ATOM 425 HB1 ARG 27 44.812 30.530 52.062 1.00 0.00 H +ATOM 426 HB2 ARG 27 46.292 31.002 53.092 1.00 0.00 H +ATOM 427 CG ARG 27 46.730 29.700 51.580 1.00 0.00 C +ATOM 428 HG1 ARG 27 47.624 29.388 52.162 1.00 0.00 H +ATOM 429 HG2 ARG 27 46.280 28.920 50.930 1.00 0.00 H +ATOM 430 CD ARG 27 47.290 30.850 50.690 1.00 0.00 C +ATOM 431 HD1 ARG 27 46.538 31.422 50.108 1.00 0.00 H +ATOM 432 HD2 ARG 27 47.780 31.510 51.438 1.00 0.00 H +ATOM 433 NE ARG 27 48.360 30.360 49.690 1.00 0.00 N +ATOM 434 HE ARG 27 49.244 30.132 50.098 1.00 0.00 H +ATOM 435 CZ ARG 27 48.080 29.810 48.530 1.00 0.00 C +ATOM 436 NH1 ARG 27 46.880 29.890 48.040 1.00 0.00 N +ATOM 437 1HH1 ARG 27 46.158 30.250 48.632 1.00 0.00 H +ATOM 438 2HH1 ARG 27 46.780 29.770 47.052 1.00 0.00 H +ATOM 439 NH2 ARG 27 49.040 29.240 47.780 1.00 0.00 N +ATOM 440 1HH2 ARG 27 49.958 29.590 47.970 1.00 0.00 H +ATOM 441 2HH2 ARG 27 48.850 28.660 46.988 1.00 0.00 H +ATOM 442 C ARG 27 44.870 29.600 54.850 1.00 0.00 C +ATOM 443 O ARG 27 45.700 30.080 55.610 1.00 0.00 O +ATOM 444 N ASN 28 43.520 29.670 55.180 1.00 0.00 N +ATOM 445 HN ASN 28 42.822 29.332 54.552 1.00 0.00 H +ATOM 446 CA ASN 28 43.120 30.330 56.410 1.00 0.00 C +ATOM 447 HA ASN 28 43.602 31.294 56.470 1.00 0.00 H +ATOM 448 CB ASN 28 41.630 30.660 56.180 1.00 0.00 C +ATOM 449 HB1 ASN 28 41.258 31.112 55.236 1.00 0.00 H +ATOM 450 HB2 ASN 28 41.072 29.702 56.260 1.00 0.00 H +ATOM 451 CG ASN 28 41.040 31.610 57.220 1.00 0.00 C +ATOM 452 OD1 ASN 28 40.570 31.030 58.210 1.00 0.00 O +ATOM 453 ND2 ASN 28 40.960 32.930 57.020 1.00 0.00 N +ATOM 454 1HD2 ASN 28 41.516 33.338 56.294 1.00 0.00 H +ATOM 455 2HD2 ASN 28 40.540 33.470 57.750 1.00 0.00 H +ATOM 456 C ASN 28 43.400 29.500 57.680 1.00 0.00 C +ATOM 457 O ASN 28 42.980 28.370 57.700 1.00 0.00 O +ATOM 458 N THR 29 43.980 29.990 58.810 1.00 0.00 N +ATOM 459 HN THR 29 44.390 30.898 58.780 1.00 0.00 H +ATOM 460 CA THR 29 44.090 29.300 60.070 1.00 0.00 C +ATOM 461 HA THR 29 43.680 28.302 60.120 1.00 0.00 H +ATOM 462 CB THR 29 45.500 29.140 60.520 1.00 0.00 C +ATOM 463 HB THR 29 45.530 28.718 61.546 1.00 0.00 H +ATOM 464 OG1 THR 29 46.230 30.330 60.440 1.00 0.00 O +ATOM 465 HG1 THR 29 47.004 30.048 60.932 1.00 0.00 H +ATOM 466 CG2 THR 29 46.230 27.980 59.850 1.00 0.00 C +ATOM 467 1HG2 THR 29 45.818 26.976 60.090 1.00 0.00 H +ATOM 468 2HG2 THR 29 46.180 28.160 58.754 1.00 0.00 H +ATOM 469 3HG2 THR 29 47.312 27.870 60.070 1.00 0.00 H +ATOM 470 C THR 29 43.260 30.010 61.220 1.00 0.00 C +ATOM 471 O THR 29 43.250 29.530 62.380 1.00 0.00 O +ATOM 472 N THR 30 42.490 31.120 60.990 1.00 0.00 N +ATOM 473 HN THR 30 42.520 31.582 60.108 1.00 0.00 H +ATOM 474 CA THR 30 41.880 31.900 62.040 1.00 0.00 C +ATOM 475 HA THR 30 42.130 31.438 62.984 1.00 0.00 H +ATOM 476 CB THR 30 42.390 33.300 62.000 1.00 0.00 C +ATOM 477 HB THR 30 41.842 33.928 62.736 1.00 0.00 H +ATOM 478 OG1 THR 30 42.350 33.870 60.710 1.00 0.00 O +ATOM 479 HG1 THR 30 42.500 34.810 60.840 1.00 0.00 H +ATOM 480 CG2 THR 30 43.830 33.300 62.420 1.00 0.00 C +ATOM 481 1HG2 THR 30 43.970 33.040 63.490 1.00 0.00 H +ATOM 482 2HG2 THR 30 44.480 32.570 61.890 1.00 0.00 H +ATOM 483 3HG2 THR 30 44.300 34.300 62.300 1.00 0.00 H +ATOM 484 C THR 30 40.330 31.860 61.990 1.00 0.00 C +ATOM 485 O THR 30 39.710 32.320 62.950 1.00 0.00 O +ATOM 486 N LEU 31 39.740 31.370 60.920 1.00 0.00 N +ATOM 487 HN LEU 31 40.228 31.162 60.076 1.00 0.00 H +ATOM 488 CA LEU 31 38.310 31.060 60.880 1.00 0.00 C +ATOM 489 HA LEU 31 37.898 31.140 61.874 1.00 0.00 H +ATOM 490 CB LEU 31 37.630 32.040 59.950 1.00 0.00 C +ATOM 491 HB1 LEU 31 37.650 33.090 60.310 1.00 0.00 H +ATOM 492 HB2 LEU 31 38.244 32.060 59.024 1.00 0.00 H +ATOM 493 CG LEU 31 36.170 31.780 59.500 1.00 0.00 C +ATOM 494 HG LEU 31 36.110 30.824 58.936 1.00 0.00 H +ATOM 495 CD1 LEU 31 35.300 31.770 60.760 1.00 0.00 C +ATOM 496 1HD1 LEU 31 35.370 30.740 61.170 1.00 0.00 H +ATOM 497 2HD1 LEU 31 35.712 32.452 61.534 1.00 0.00 H +ATOM 498 3HD1 LEU 31 34.238 32.028 60.562 1.00 0.00 H +ATOM 499 CD2 LEU 31 35.860 32.910 58.540 1.00 0.00 C +ATOM 500 1HD2 LEU 31 36.058 33.894 59.018 1.00 0.00 H +ATOM 501 2HD2 LEU 31 36.588 32.780 57.712 1.00 0.00 H +ATOM 502 3HD2 LEU 31 34.830 32.770 58.150 1.00 0.00 H +ATOM 503 C LEU 31 37.940 29.650 60.550 1.00 0.00 C +ATOM 504 O LEU 31 37.070 29.060 61.180 1.00 0.00 O +ATOM 505 N VAL 32 38.470 29.140 59.450 1.00 0.00 N +ATOM 506 HN VAL 32 39.206 29.668 59.032 1.00 0.00 H +ATOM 507 CA VAL 32 37.920 28.100 58.670 1.00 0.00 C +ATOM 508 HA VAL 32 36.886 28.402 58.610 1.00 0.00 H +ATOM 509 CB VAL 32 38.360 28.210 57.260 1.00 0.00 C +ATOM 510 HB VAL 32 39.456 28.020 57.270 1.00 0.00 H +ATOM 511 CG1 VAL 32 37.930 27.040 56.300 1.00 0.00 C +ATOM 512 1HG1 VAL 32 36.882 27.040 55.930 1.00 0.00 H +ATOM 513 2HG1 VAL 32 38.498 27.160 55.352 1.00 0.00 H +ATOM 514 3HG1 VAL 32 38.180 26.038 56.710 1.00 0.00 H +ATOM 515 CG2 VAL 32 38.090 29.620 56.670 1.00 0.00 C +ATOM 516 1HG2 VAL 32 38.650 29.900 55.752 1.00 0.00 H +ATOM 517 2HG2 VAL 32 36.998 29.670 56.480 1.00 0.00 H +ATOM 518 3HG2 VAL 32 38.278 30.504 57.316 1.00 0.00 H +ATOM 519 C VAL 32 38.010 26.720 59.270 1.00 0.00 C +ATOM 520 O VAL 32 39.040 26.280 59.800 1.00 0.00 O +ATOM 521 N LYS 33 36.970 25.910 59.170 1.00 0.00 N +ATOM 522 HN LYS 33 36.102 26.200 58.772 1.00 0.00 H +ATOM 523 CA LYS 33 36.950 24.520 59.580 1.00 0.00 C +ATOM 524 HA LYS 33 37.654 24.328 60.376 1.00 0.00 H +ATOM 525 CB LYS 33 35.550 24.070 60.130 1.00 0.00 C +ATOM 526 HB1 LYS 33 34.760 24.120 59.350 1.00 0.00 H +ATOM 527 HB2 LYS 33 35.540 22.996 60.418 1.00 0.00 H +ATOM 528 CG LYS 33 35.100 24.810 61.420 1.00 0.00 C +ATOM 529 HG1 LYS 33 34.860 25.874 61.210 1.00 0.00 H +ATOM 530 HG2 LYS 33 34.138 24.370 61.760 1.00 0.00 H +ATOM 531 CD LYS 33 36.090 24.540 62.600 1.00 0.00 C +ATOM 532 HD1 LYS 33 36.270 23.468 62.830 1.00 0.00 H +ATOM 533 HD2 LYS 33 37.082 24.850 62.210 1.00 0.00 H +ATOM 534 CE LYS 33 35.770 25.250 63.980 1.00 0.00 C +ATOM 535 HE1 LYS 33 35.170 26.170 63.820 1.00 0.00 H +ATOM 536 HE2 LYS 33 35.082 24.622 64.588 1.00 0.00 H +ATOM 537 NZ LYS 33 36.980 25.630 64.810 1.00 0.00 N +ATOM 538 HZ1 LYS 33 37.668 24.862 64.670 1.00 0.00 H +ATOM 539 HZ2 LYS 33 37.250 26.568 64.450 1.00 0.00 H +ATOM 540 HZ3 LYS 33 36.680 25.800 65.790 1.00 0.00 H +ATOM 541 C LYS 33 37.310 23.710 58.320 1.00 0.00 C +ATOM 542 O LYS 33 36.620 23.810 57.290 1.00 0.00 O +ATOM 543 N GLN 34 38.410 22.920 58.310 1.00 0.00 N +ATOM 544 HN GLN 34 38.808 22.660 59.186 1.00 0.00 H +ATOM 545 CA GLN 34 39.000 22.390 57.050 1.00 0.00 C +ATOM 546 HA GLN 34 38.850 23.194 56.346 1.00 0.00 H +ATOM 547 CB GLN 34 40.540 22.070 57.240 1.00 0.00 C +ATOM 548 HB1 GLN 34 40.610 21.328 58.064 1.00 0.00 H +ATOM 549 HB2 GLN 34 40.852 21.598 56.284 1.00 0.00 H +ATOM 550 CG GLN 34 41.510 23.220 57.670 1.00 0.00 C +ATOM 551 HG1 GLN 34 41.410 23.370 58.766 1.00 0.00 H +ATOM 552 HG2 GLN 34 42.536 22.978 57.318 1.00 0.00 H +ATOM 553 CD GLN 34 41.140 24.530 57.010 1.00 0.00 C +ATOM 554 OE1 GLN 34 40.800 25.580 57.620 1.00 0.00 O +ATOM 555 NE2 GLN 34 41.130 24.560 55.690 1.00 0.00 N +ATOM 556 1HE2 GLN 34 41.502 23.786 55.178 1.00 0.00 H +ATOM 557 2HE2 GLN 34 40.940 25.438 55.250 1.00 0.00 H +ATOM 558 C GLN 34 38.270 21.160 56.610 1.00 0.00 C +ATOM 559 O GLN 34 38.450 20.580 55.520 1.00 0.00 O +ATOM 560 N ASP 35 37.360 20.600 57.430 1.00 0.00 N +ATOM 561 HN ASP 35 37.050 20.790 58.358 1.00 0.00 H +ATOM 562 CA ASP 35 36.530 19.460 57.050 1.00 0.00 C +ATOM 563 HA ASP 35 37.178 18.662 56.720 1.00 0.00 H +ATOM 564 CB ASP 35 35.700 19.040 58.280 1.00 0.00 C +ATOM 565 HB1 ASP 35 36.452 18.720 59.032 1.00 0.00 H +ATOM 566 HB2 ASP 35 35.050 19.870 58.630 1.00 0.00 H +ATOM 567 CG ASP 35 34.820 17.840 58.120 1.00 0.00 C +ATOM 568 OD1 ASP 35 35.200 16.870 57.390 1.00 0.00 O +ATOM 569 OD2 ASP 35 33.740 17.750 58.850 1.00 0.00 O +ATOM 570 C ASP 35 35.670 19.830 55.880 1.00 0.00 C +ATOM 571 O ASP 35 35.530 18.950 55.010 1.00 0.00 O +ATOM 572 N ARG 36 35.240 21.080 55.800 1.00 0.00 N +ATOM 573 HN ARG 36 35.528 21.648 56.568 1.00 0.00 H +ATOM 574 CA ARG 36 34.510 21.730 54.700 1.00 0.00 C +ATOM 575 HA ARG 36 33.558 21.240 54.560 1.00 0.00 H +ATOM 576 CB ARG 36 34.260 23.230 55.030 1.00 0.00 C +ATOM 577 HB1 ARG 36 35.248 23.718 55.170 1.00 0.00 H +ATOM 578 HB2 ARG 36 33.860 23.670 54.092 1.00 0.00 H +ATOM 579 CG ARG 36 33.330 23.380 56.230 1.00 0.00 C +ATOM 580 HG1 ARG 36 32.296 23.222 55.852 1.00 0.00 H +ATOM 581 HG2 ARG 36 33.400 22.582 56.998 1.00 0.00 H +ATOM 582 CD ARG 36 33.390 24.810 56.920 1.00 0.00 C +ATOM 583 HD1 ARG 36 34.396 24.890 57.382 1.00 0.00 H +ATOM 584 HD2 ARG 36 33.370 25.620 56.160 1.00 0.00 H +ATOM 585 NE ARG 36 32.280 24.910 57.980 1.00 0.00 N +ATOM 586 HE ARG 36 32.020 24.102 58.508 1.00 0.00 H +ATOM 587 CZ ARG 36 31.660 26.010 58.370 1.00 0.00 C +ATOM 588 NH1 ARG 36 32.010 27.170 57.980 1.00 0.00 N +ATOM 589 1HH1 ARG 36 32.994 27.348 57.990 1.00 0.00 H +ATOM 590 2HH1 ARG 36 31.490 27.980 58.250 1.00 0.00 H +ATOM 591 NH2 ARG 36 30.550 25.900 59.060 1.00 0.00 N +ATOM 592 1HH2 ARG 36 30.110 25.010 59.170 1.00 0.00 H +ATOM 593 2HH2 ARG 36 30.110 26.750 59.350 1.00 0.00 H +ATOM 594 C ARG 36 35.210 21.680 53.330 1.00 0.00 C +ATOM 595 O ARG 36 34.560 21.340 52.280 1.00 0.00 O +ATOM 596 N VAL 37 36.540 21.960 53.320 1.00 0.00 N +ATOM 597 HN VAL 37 37.000 22.240 54.160 1.00 0.00 H +ATOM 598 CA VAL 37 37.340 21.740 52.170 1.00 0.00 C +ATOM 599 HA VAL 37 36.940 22.348 51.372 1.00 0.00 H +ATOM 600 CB VAL 37 38.820 22.110 52.440 1.00 0.00 C +ATOM 601 HB VAL 37 39.210 21.610 53.352 1.00 0.00 H +ATOM 602 CG1 VAL 37 39.720 21.910 51.140 1.00 0.00 C +ATOM 603 1HG1 VAL 37 40.804 22.080 51.310 1.00 0.00 H +ATOM 604 2HG1 VAL 37 39.720 20.914 50.648 1.00 0.00 H +ATOM 605 3HG1 VAL 37 39.530 22.760 50.450 1.00 0.00 H +ATOM 606 CG2 VAL 37 38.940 23.620 52.840 1.00 0.00 C +ATOM 607 1HG2 VAL 37 38.408 23.700 53.812 1.00 0.00 H +ATOM 608 2HG2 VAL 37 39.942 24.080 52.970 1.00 0.00 H +ATOM 609 3HG2 VAL 37 38.362 24.138 52.044 1.00 0.00 H +ATOM 610 C VAL 37 37.340 20.400 51.670 1.00 0.00 C +ATOM 611 O VAL 37 37.140 20.110 50.520 1.00 0.00 O +ATOM 612 N ALA 38 37.480 19.440 52.630 1.00 0.00 N +ATOM 613 HN ALA 38 37.610 19.762 53.564 1.00 0.00 H +ATOM 614 CA ALA 38 37.500 17.980 52.390 1.00 0.00 C +ATOM 615 HA ALA 38 38.304 17.822 51.686 1.00 0.00 H +ATOM 616 CB ALA 38 37.920 17.180 53.640 1.00 0.00 C +ATOM 617 HB1 ALA 38 37.098 16.980 54.360 1.00 0.00 H +ATOM 618 HB2 ALA 38 38.350 16.232 53.250 1.00 0.00 H +ATOM 619 HB3 ALA 38 38.740 17.740 54.140 1.00 0.00 H +ATOM 620 C ALA 38 36.270 17.390 51.770 1.00 0.00 C +ATOM 621 O ALA 38 36.320 16.570 50.880 1.00 0.00 O +ATOM 622 N GLN 39 35.100 17.810 52.250 1.00 0.00 N +ATOM 623 HN GLN 39 35.170 18.322 53.102 1.00 0.00 H +ATOM 624 CA GLN 39 33.860 17.540 51.590 1.00 0.00 C +ATOM 625 HA GLN 39 33.610 16.490 51.530 1.00 0.00 H +ATOM 626 CB GLN 39 32.680 18.150 52.410 1.00 0.00 C +ATOM 627 HB1 GLN 39 32.900 19.226 52.580 1.00 0.00 H +ATOM 628 HB2 GLN 39 31.822 18.050 51.712 1.00 0.00 H +ATOM 629 CG GLN 39 32.510 17.490 53.760 1.00 0.00 C +ATOM 630 HG1 GLN 39 32.500 16.380 53.820 1.00 0.00 H +ATOM 631 HG2 GLN 39 33.342 17.830 54.412 1.00 0.00 H +ATOM 632 CD GLN 39 31.290 18.030 54.490 1.00 0.00 C +ATOM 633 OE1 GLN 39 31.410 18.930 55.300 1.00 0.00 O +ATOM 634 NE2 GLN 39 30.080 17.670 53.940 1.00 0.00 N +ATOM 635 1HE2 GLN 39 30.100 16.902 53.300 1.00 0.00 H +ATOM 636 2HE2 GLN 39 29.372 18.348 54.140 1.00 0.00 H +ATOM 637 C GLN 39 33.810 18.060 50.160 1.00 0.00 C +ATOM 638 O GLN 39 33.220 17.500 49.260 1.00 0.00 O +ATOM 639 N LEU 40 34.300 19.250 49.770 1.00 0.00 N +ATOM 640 HN LEU 40 34.640 19.942 50.402 1.00 0.00 H +ATOM 641 CA LEU 40 34.320 19.880 48.420 1.00 0.00 C +ATOM 642 HA LEU 40 33.354 19.680 47.982 1.00 0.00 H +ATOM 643 CB LEU 40 34.840 21.410 48.410 1.00 0.00 C +ATOM 644 HB1 LEU 40 35.722 21.370 49.084 1.00 0.00 H +ATOM 645 HB2 LEU 40 35.252 21.712 47.424 1.00 0.00 H +ATOM 646 CG LEU 40 33.830 22.320 49.030 1.00 0.00 C +ATOM 647 HG LEU 40 33.460 21.800 49.940 1.00 0.00 H +ATOM 648 CD1 LEU 40 34.570 23.690 49.250 1.00 0.00 C +ATOM 649 1HD1 LEU 40 35.548 23.550 49.758 1.00 0.00 H +ATOM 650 2HD1 LEU 40 34.550 24.280 48.310 1.00 0.00 H +ATOM 651 3HD1 LEU 40 34.000 24.328 49.958 1.00 0.00 H +ATOM 652 CD2 LEU 40 32.540 22.600 48.240 1.00 0.00 C +ATOM 653 1HD2 LEU 40 32.058 21.766 47.688 1.00 0.00 H +ATOM 654 2HD2 LEU 40 31.838 23.070 48.962 1.00 0.00 H +ATOM 655 3HD2 LEU 40 32.730 23.390 47.480 1.00 0.00 H +ATOM 656 C LEU 40 35.230 19.010 47.530 1.00 0.00 C +ATOM 657 O LEU 40 35.160 18.730 46.340 1.00 0.00 O +ATOM 658 N ASN 41 36.370 18.580 48.170 1.00 0.00 N +ATOM 659 HN ASN 41 36.620 18.910 49.078 1.00 0.00 H +ATOM 660 CA ASN 41 37.280 17.540 47.670 1.00 0.00 C +ATOM 661 HA ASN 41 37.470 17.880 46.662 1.00 0.00 H +ATOM 662 CB ASN 41 38.590 17.470 48.480 1.00 0.00 C +ATOM 663 HB1 ASN 41 38.340 17.370 49.558 1.00 0.00 H +ATOM 664 HB2 ASN 41 39.212 16.598 48.190 1.00 0.00 H +ATOM 665 CG ASN 41 39.430 18.790 48.460 1.00 0.00 C +ATOM 666 OD1 ASN 41 40.440 18.940 49.170 1.00 0.00 O +ATOM 667 ND2 ASN 41 39.030 19.830 47.660 1.00 0.00 N +ATOM 668 1HD2 ASN 41 38.186 19.790 47.128 1.00 0.00 H +ATOM 669 2HD2 ASN 41 39.548 20.676 47.800 1.00 0.00 H +ATOM 670 C ASN 41 36.650 16.190 47.400 1.00 0.00 C +ATOM 671 O ASN 41 36.800 15.600 46.360 1.00 0.00 O +ATOM 672 N GLU 42 35.890 15.610 48.330 1.00 0.00 N +ATOM 673 HN GLU 42 35.820 16.010 49.240 1.00 0.00 H +ATOM 674 CA GLU 42 35.100 14.440 48.220 1.00 0.00 C +ATOM 675 HA GLU 42 35.928 13.752 48.140 1.00 0.00 H +ATOM 676 CB GLU 42 34.470 14.030 49.510 1.00 0.00 C +ATOM 677 HB1 GLU 42 35.160 13.980 50.380 1.00 0.00 H +ATOM 678 HB2 GLU 42 33.796 14.866 49.792 1.00 0.00 H +ATOM 679 CG GLU 42 33.760 12.700 49.450 1.00 0.00 C +ATOM 680 HG1 GLU 42 32.726 12.840 49.068 1.00 0.00 H +ATOM 681 HG2 GLU 42 34.322 11.988 48.808 1.00 0.00 H +ATOM 682 CD GLU 42 33.520 12.130 50.840 1.00 0.00 C +ATOM 683 OE1 GLU 42 34.140 12.570 51.810 1.00 0.00 O +ATOM 684 OE2 GLU 42 32.690 11.160 50.900 1.00 0.00 O +ATOM 685 C GLU 42 34.010 14.370 47.140 1.00 0.00 C +ATOM 686 O GLU 42 33.760 13.370 46.420 1.00 0.00 O +ATOM 687 N TRP 43 33.280 15.480 46.940 1.00 0.00 N +ATOM 688 HN TRP 43 33.500 16.272 47.502 1.00 0.00 H +ATOM 689 CA TRP 43 32.250 15.660 45.990 1.00 0.00 C +ATOM 690 HA TRP 43 32.100 14.706 45.508 1.00 0.00 H +ATOM 691 CB TRP 43 30.840 15.930 46.640 1.00 0.00 C +ATOM 692 HB1 TRP 43 30.720 16.958 47.042 1.00 0.00 H +ATOM 693 HB2 TRP 43 30.072 15.632 45.892 1.00 0.00 H +ATOM 694 CG TRP 43 30.680 15.030 47.830 1.00 0.00 C +ATOM 695 CD1 TRP 43 30.830 15.320 49.180 1.00 0.00 C +ATOM 696 HD1 TRP 43 31.140 16.318 49.450 1.00 0.00 H +ATOM 697 NE1 TRP 43 30.470 14.270 49.980 1.00 0.00 N +ATOM 698 HE1 TRP 43 30.702 14.128 50.916 1.00 0.00 H +ATOM 699 CE2 TRP 43 30.070 13.230 49.140 1.00 0.00 C +ATOM 700 CD2 TRP 43 30.060 13.720 47.810 1.00 0.00 C +ATOM 701 CE3 TRP 43 29.620 12.940 46.760 1.00 0.00 C +ATOM 702 HE3 TRP 43 29.700 13.260 45.732 1.00 0.00 H +ATOM 703 CZ3 TRP 43 28.960 11.780 47.100 1.00 0.00 C +ATOM 704 HZ3 TRP 43 28.500 11.140 46.360 1.00 0.00 H +ATOM 705 CZ2 TRP 43 29.580 11.900 49.370 1.00 0.00 C +ATOM 706 HZ2 TRP 43 29.580 11.370 50.310 1.00 0.00 H +ATOM 707 CH2 TRP 43 28.950 11.220 48.350 1.00 0.00 C +ATOM 708 HH2 TRP 43 28.572 10.222 48.520 1.00 0.00 H +ATOM 709 C TRP 43 32.630 16.570 44.880 1.00 0.00 C +ATOM 710 O TRP 43 31.820 17.230 44.240 1.00 0.00 O +ATOM 711 N ARG 44 33.970 16.710 44.680 1.00 0.00 N +ATOM 712 HN ARG 44 34.700 16.240 45.170 1.00 0.00 H +ATOM 713 CA ARG 44 34.560 17.440 43.550 1.00 0.00 C +ATOM 714 HA ARG 44 34.350 18.484 43.730 1.00 0.00 H +ATOM 715 CB ARG 44 36.090 17.220 43.540 1.00 0.00 C +ATOM 716 HB1 ARG 44 36.408 17.796 44.436 1.00 0.00 H +ATOM 717 HB2 ARG 44 36.450 16.192 43.760 1.00 0.00 H +ATOM 718 CG ARG 44 36.750 17.770 42.230 1.00 0.00 C +ATOM 719 HG1 ARG 44 36.468 17.146 41.356 1.00 0.00 H +ATOM 720 HG2 ARG 44 36.450 18.818 42.010 1.00 0.00 H +ATOM 721 CD ARG 44 38.290 17.710 42.150 1.00 0.00 C +ATOM 722 HD1 ARG 44 38.570 16.664 42.400 1.00 0.00 H +ATOM 723 HD2 ARG 44 38.598 17.928 41.106 1.00 0.00 H +ATOM 724 NE ARG 44 38.880 18.730 43.040 1.00 0.00 N +ATOM 725 HE ARG 44 39.168 18.530 43.976 1.00 0.00 H +ATOM 726 CZ ARG 44 39.150 19.990 42.750 1.00 0.00 C +ATOM 727 NH1 ARG 44 39.030 20.520 41.540 1.00 0.00 N +ATOM 728 1HH1 ARG 44 38.802 19.972 40.734 1.00 0.00 H +ATOM 729 2HH1 ARG 44 39.500 21.398 41.450 1.00 0.00 H +ATOM 730 NH2 ARG 44 39.710 20.730 43.640 1.00 0.00 N +ATOM 731 1HH2 ARG 44 40.140 20.280 44.422 1.00 0.00 H +ATOM 732 2HH2 ARG 44 40.042 21.584 43.238 1.00 0.00 H +ATOM 733 C ARG 44 33.940 17.040 42.200 1.00 0.00 C +ATOM 734 O ARG 44 33.730 17.950 41.430 1.00 0.00 O +ATOM 735 N THR 45 33.650 15.740 41.800 1.00 0.00 N +ATOM 736 HN THR 45 33.870 14.930 42.340 1.00 0.00 H +ATOM 737 CA THR 45 33.000 15.410 40.560 1.00 0.00 C +ATOM 738 HA THR 45 33.620 15.940 39.850 1.00 0.00 H +ATOM 739 CB THR 45 32.920 13.930 40.230 1.00 0.00 C +ATOM 740 HB THR 45 32.216 13.498 40.974 1.00 0.00 H +ATOM 741 OG1 THR 45 34.250 13.350 40.240 1.00 0.00 O +ATOM 742 HG1 THR 45 34.834 14.084 40.032 1.00 0.00 H +ATOM 743 CG2 THR 45 32.360 13.620 38.830 1.00 0.00 C +ATOM 744 1HG2 THR 45 32.798 14.328 38.092 1.00 0.00 H +ATOM 745 2HG2 THR 45 32.600 12.580 38.520 1.00 0.00 H +ATOM 746 3HG2 THR 45 31.252 13.680 38.820 1.00 0.00 H +ATOM 747 C THR 45 31.630 15.960 40.390 1.00 0.00 C +ATOM 748 O THR 45 31.330 16.530 39.330 1.00 0.00 O +ATOM 749 N GLU 46 30.730 15.860 41.450 1.00 0.00 N +ATOM 750 HN GLU 46 30.930 15.322 42.266 1.00 0.00 H +ATOM 751 CA GLU 46 29.480 16.530 41.500 1.00 0.00 C +ATOM 752 HA GLU 46 28.902 16.192 40.652 1.00 0.00 H +ATOM 753 CB GLU 46 28.700 16.160 42.780 1.00 0.00 C +ATOM 754 HB1 GLU 46 29.382 16.260 43.652 1.00 0.00 H +ATOM 755 HB2 GLU 46 27.814 16.766 43.068 1.00 0.00 H +ATOM 756 CG GLU 46 28.150 14.670 42.590 1.00 0.00 C +ATOM 757 HG1 GLU 46 27.478 14.480 43.454 1.00 0.00 H +ATOM 758 HG2 GLU 46 27.460 14.600 41.722 1.00 0.00 H +ATOM 759 CD GLU 46 29.110 13.550 42.750 1.00 0.00 C +ATOM 760 OE1 GLU 46 30.200 13.740 43.380 1.00 0.00 O +ATOM 761 OE2 GLU 46 28.810 12.500 42.210 1.00 0.00 O +ATOM 762 C GLU 46 29.570 18.030 41.380 1.00 0.00 C +ATOM 763 O GLU 46 28.920 18.610 40.560 1.00 0.00 O +ATOM 764 N LEU 47 30.520 18.690 42.080 1.00 0.00 N +ATOM 765 HN LEU 47 31.022 18.178 42.772 1.00 0.00 H +ATOM 766 CA LEU 47 30.850 20.090 41.990 1.00 0.00 C +ATOM 767 HA LEU 47 29.956 20.662 42.190 1.00 0.00 H +ATOM 768 CB LEU 47 31.890 20.310 43.060 1.00 0.00 C +ATOM 769 HB1 LEU 47 31.542 19.912 44.036 1.00 0.00 H +ATOM 770 HB2 LEU 47 32.810 19.710 42.890 1.00 0.00 H +ATOM 771 CG LEU 47 32.110 21.770 43.280 1.00 0.00 C +ATOM 772 HG LEU 47 32.330 22.312 42.336 1.00 0.00 H +ATOM 773 CD1 LEU 47 30.930 22.580 43.750 1.00 0.00 C +ATOM 774 1HD1 LEU 47 31.280 23.632 43.820 1.00 0.00 H +ATOM 775 2HD1 LEU 47 30.140 22.610 42.970 1.00 0.00 H +ATOM 776 3HD1 LEU 47 30.468 22.190 44.682 1.00 0.00 H +ATOM 777 CD2 LEU 47 33.330 22.090 44.150 1.00 0.00 C +ATOM 778 1HD2 LEU 47 33.150 21.880 45.226 1.00 0.00 H +ATOM 779 2HD2 LEU 47 34.196 21.446 43.888 1.00 0.00 H +ATOM 780 3HD2 LEU 47 33.630 23.160 44.140 1.00 0.00 H +ATOM 781 C LEU 47 31.350 20.520 40.680 1.00 0.00 C +ATOM 782 O LEU 47 31.010 21.600 40.140 1.00 0.00 O +ATOM 783 N GLU 48 32.240 19.740 40.060 1.00 0.00 N +ATOM 784 HN GLU 48 32.778 19.072 40.568 1.00 0.00 H +ATOM 785 CA GLU 48 32.700 20.070 38.720 1.00 0.00 C +ATOM 786 HA GLU 48 33.062 21.086 38.750 1.00 0.00 H +ATOM 787 CB GLU 48 34.000 19.250 38.400 1.00 0.00 C +ATOM 788 HB1 GLU 48 33.920 18.160 38.600 1.00 0.00 H +ATOM 789 HB2 GLU 48 34.260 19.330 37.322 1.00 0.00 H +ATOM 790 CG GLU 48 35.300 19.700 39.170 1.00 0.00 C +ATOM 791 HG1 GLU 48 35.430 20.782 38.960 1.00 0.00 H +ATOM 792 HG2 GLU 48 35.170 19.610 40.270 1.00 0.00 H +ATOM 793 CD GLU 48 36.600 18.910 38.850 1.00 0.00 C +ATOM 794 OE1 GLU 48 36.500 17.750 38.390 1.00 0.00 O +ATOM 795 OE2 GLU 48 37.660 19.370 39.320 1.00 0.00 O +ATOM 796 C GLU 48 31.590 19.960 37.620 1.00 0.00 C +ATOM 797 O GLU 48 31.450 20.820 36.730 1.00 0.00 O +ATOM 798 N ASN 49 30.720 18.960 37.810 1.00 0.00 N +ATOM 799 HN ASN 49 30.780 18.452 38.666 1.00 0.00 H +ATOM 800 CA ASN 49 29.460 18.790 37.110 1.00 0.00 C +ATOM 801 HA ASN 49 29.790 18.810 36.082 1.00 0.00 H +ATOM 802 CB ASN 49 28.780 17.480 37.460 1.00 0.00 C +ATOM 803 HB1 ASN 49 28.730 17.210 38.536 1.00 0.00 H +ATOM 804 HB2 ASN 49 27.804 17.440 36.932 1.00 0.00 H +ATOM 805 CG ASN 49 29.520 16.270 36.850 1.00 0.00 C +ATOM 806 OD1 ASN 49 28.930 15.160 36.760 1.00 0.00 O +ATOM 807 ND2 ASN 49 30.760 16.370 36.420 1.00 0.00 N +ATOM 808 1HD2 ASN 49 31.060 17.320 36.330 1.00 0.00 H +ATOM 809 2HD2 ASN 49 31.260 15.530 36.210 1.00 0.00 H +ATOM 810 C ASN 49 28.470 19.970 37.230 1.00 0.00 C +ATOM 811 O ASN 49 27.940 20.440 36.200 1.00 0.00 O +ATOM 812 N GLY 50 28.310 20.530 38.430 1.00 0.00 N +ATOM 813 HN GLY 50 28.778 20.132 39.216 1.00 0.00 H +ATOM 814 CA GLY 50 27.510 21.740 38.650 1.00 0.00 C +ATOM 815 HA1 GLY 50 26.504 21.458 38.378 1.00 0.00 H +ATOM 816 HA2 GLY 50 27.730 21.990 39.678 1.00 0.00 H +ATOM 817 C GLY 50 27.940 22.940 37.800 1.00 0.00 C +ATOM 818 O GLY 50 27.200 23.550 37.050 1.00 0.00 O +ATOM 819 N ILE 51 29.290 23.260 37.950 1.00 0.00 N +ATOM 820 HN ILE 51 29.760 22.740 38.660 1.00 0.00 H +ATOM 821 CA ILE 51 29.890 24.440 37.280 1.00 0.00 C +ATOM 822 HA ILE 51 29.480 25.390 37.590 1.00 0.00 H +ATOM 823 CB ILE 51 31.410 24.590 37.530 1.00 0.00 C +ATOM 824 HB ILE 51 31.902 23.638 37.240 1.00 0.00 H +ATOM 825 CG2 ILE 51 32.030 25.720 36.690 1.00 0.00 C +ATOM 826 1HG2 ILE 51 32.100 25.482 35.606 1.00 0.00 H +ATOM 827 2HG2 ILE 51 31.358 26.604 36.710 1.00 0.00 H +ATOM 828 3HG2 ILE 51 32.982 26.120 37.100 1.00 0.00 H +ATOM 829 CG1 ILE 51 31.620 24.900 39.040 1.00 0.00 C +ATOM 830 1HG1 ILE 51 31.550 26.006 39.110 1.00 0.00 H +ATOM 831 2HG1 ILE 51 30.868 24.358 39.652 1.00 0.00 H +ATOM 832 CD ILE 51 33.000 24.460 39.600 1.00 0.00 C +ATOM 833 HD1 ILE 51 33.770 24.980 38.990 1.00 0.00 H +ATOM 834 HD2 ILE 51 33.170 24.780 40.650 1.00 0.00 H +ATOM 835 HD3 ILE 51 33.290 23.390 39.540 1.00 0.00 H +ATOM 836 C ILE 51 29.780 24.380 35.720 1.00 0.00 C +ATOM 837 O ILE 51 29.320 25.270 35.010 1.00 0.00 O +ATOM 838 N TYR 52 30.050 23.180 35.200 1.00 0.00 N +ATOM 839 HN TYR 52 30.402 22.428 35.752 1.00 0.00 H +ATOM 840 CA TYR 52 29.900 23.030 33.770 1.00 0.00 C +ATOM 841 HA TYR 52 30.488 23.848 33.380 1.00 0.00 H +ATOM 842 CB TYR 52 30.710 21.810 33.390 1.00 0.00 C +ATOM 843 HB1 TYR 52 31.760 22.080 33.630 1.00 0.00 H +ATOM 844 HB2 TYR 52 30.482 20.948 34.054 1.00 0.00 H +ATOM 845 CG TYR 52 30.570 21.440 31.930 1.00 0.00 C +ATOM 846 CD1 TYR 52 31.570 21.900 31.040 1.00 0.00 C +ATOM 847 HD1 TYR 52 32.474 22.392 31.362 1.00 0.00 H +ATOM 848 CE1 TYR 52 31.470 21.570 29.640 1.00 0.00 C +ATOM 849 HE1 TYR 52 32.184 22.006 28.956 1.00 0.00 H +ATOM 850 CZ TYR 52 30.440 20.810 29.150 1.00 0.00 C +ATOM 851 OH TYR 52 30.280 20.570 27.740 1.00 0.00 O +ATOM 852 HH TYR 52 30.898 21.128 27.262 1.00 0.00 H +ATOM 853 CD2 TYR 52 29.490 20.670 31.410 1.00 0.00 C +ATOM 854 HD2 TYR 52 28.660 20.350 32.020 1.00 0.00 H +ATOM 855 CE2 TYR 52 29.550 20.250 30.010 1.00 0.00 C +ATOM 856 HE2 TYR 52 28.736 19.628 29.668 1.00 0.00 H +ATOM 857 C TYR 52 28.520 23.160 33.180 1.00 0.00 C +ATOM 858 O TYR 52 28.350 23.890 32.220 1.00 0.00 O +ATOM 859 N ALA 53 27.550 22.480 33.830 1.00 0.00 N +ATOM 860 HN ALA 53 27.850 22.140 34.718 1.00 0.00 H +ATOM 861 CA ALA 53 26.180 22.180 33.380 1.00 0.00 C +ATOM 862 HA ALA 53 26.240 21.620 32.458 1.00 0.00 H +ATOM 863 CB ALA 53 25.460 21.370 34.450 1.00 0.00 C +ATOM 864 HB1 ALA 53 25.822 21.802 35.406 1.00 0.00 H +ATOM 865 HB2 ALA 53 24.350 21.420 34.470 1.00 0.00 H +ATOM 866 HB3 ALA 53 25.830 20.322 34.480 1.00 0.00 H +ATOM 867 C ALA 53 25.410 23.510 33.170 1.00 0.00 C +ATOM 868 O ALA 53 24.600 23.610 32.230 1.00 0.00 O +ATOM 869 N ALA 54 25.660 24.570 33.970 1.00 0.00 N +ATOM 870 HN ALA 54 26.416 24.490 34.616 1.00 0.00 H +ATOM 871 CA ALA 54 25.090 25.930 33.920 1.00 0.00 C +ATOM 872 HA ALA 54 24.058 25.760 34.190 1.00 0.00 H +ATOM 873 CB ALA 54 25.790 26.860 34.940 1.00 0.00 C +ATOM 874 HB1 ALA 54 25.820 26.432 35.966 1.00 0.00 H +ATOM 875 HB2 ALA 54 26.826 27.030 34.578 1.00 0.00 H +ATOM 876 HB3 ALA 54 25.210 27.800 35.060 1.00 0.00 H +ATOM 877 C ALA 54 25.060 26.560 32.500 1.00 0.00 C +ATOM 878 O ALA 54 24.080 27.220 32.170 1.00 0.00 O +ATOM 879 N ASP 55 26.180 26.420 31.780 1.00 0.00 N +ATOM 880 HN ASP 55 26.932 25.988 32.272 1.00 0.00 H +ATOM 881 CA ASP 55 26.500 27.000 30.470 1.00 0.00 C +ATOM 882 HA ASP 55 25.734 27.756 30.390 1.00 0.00 H +ATOM 883 CB ASP 55 28.050 27.370 30.480 1.00 0.00 C +ATOM 884 HB1 ASP 55 28.140 27.908 31.448 1.00 0.00 H +ATOM 885 HB2 ASP 55 28.712 26.478 30.460 1.00 0.00 H +ATOM 886 CG ASP 55 28.510 28.320 29.340 1.00 0.00 C +ATOM 887 OD1 ASP 55 27.940 29.360 29.110 1.00 0.00 O +ATOM 888 OD2 ASP 55 29.560 28.090 28.730 1.00 0.00 O +ATOM 889 C ASP 55 26.240 26.040 29.270 1.00 0.00 C +ATOM 890 O ASP 55 26.270 26.330 28.100 1.00 0.00 O +ATOM 891 N TYR 56 25.910 24.770 29.580 1.00 0.00 N +ATOM 892 HN TYR 56 25.780 24.460 30.518 1.00 0.00 H +ATOM 893 CA TYR 56 25.800 23.790 28.530 1.00 0.00 C +ATOM 894 HA TYR 56 25.760 24.260 27.558 1.00 0.00 H +ATOM 895 CB TYR 56 26.990 22.800 28.640 1.00 0.00 C +ATOM 896 HB1 TYR 56 27.210 22.550 29.700 1.00 0.00 H +ATOM 897 HB2 TYR 56 26.860 21.846 28.088 1.00 0.00 H +ATOM 898 CG TYR 56 28.280 23.320 28.020 1.00 0.00 C +ATOM 899 CD1 TYR 56 28.430 23.260 26.600 1.00 0.00 C +ATOM 900 HD1 TYR 56 27.798 22.698 25.928 1.00 0.00 H +ATOM 901 CE1 TYR 56 29.560 23.750 26.060 1.00 0.00 C +ATOM 902 HE1 TYR 56 29.660 23.780 24.984 1.00 0.00 H +ATOM 903 CZ TYR 56 30.590 24.350 26.860 1.00 0.00 C +ATOM 904 OH TYR 56 31.650 24.870 26.180 1.00 0.00 O +ATOM 905 HH TYR 56 31.880 25.680 26.640 1.00 0.00 H +ATOM 906 CD2 TYR 56 29.180 23.980 28.820 1.00 0.00 C +ATOM 907 HD2 TYR 56 29.060 24.212 29.868 1.00 0.00 H +ATOM 908 CE2 TYR 56 30.400 24.470 28.250 1.00 0.00 C +ATOM 909 HE2 TYR 56 31.078 25.008 28.898 1.00 0.00 H +ATOM 910 C TYR 56 24.550 22.980 28.490 1.00 0.00 C +ATOM 911 O TYR 56 24.510 22.130 27.580 1.00 0.00 O +ATOM 912 N GLU 57 23.490 23.260 29.380 1.00 0.00 N +ATOM 913 HN GLU 57 23.520 23.960 30.090 1.00 0.00 H +ATOM 914 CA GLU 57 22.410 22.370 29.480 1.00 0.00 C +ATOM 915 HA GLU 57 22.170 21.960 28.510 1.00 0.00 H +ATOM 916 CB GLU 57 22.750 21.260 30.490 1.00 0.00 C +ATOM 917 HB1 GLU 57 23.620 20.710 30.070 1.00 0.00 H +ATOM 918 HB2 GLU 57 23.248 21.688 31.386 1.00 0.00 H +ATOM 919 CG GLU 57 21.620 20.210 30.790 1.00 0.00 C +ATOM 920 HG1 GLU 57 20.770 20.720 31.290 1.00 0.00 H +ATOM 921 HG2 GLU 57 21.280 19.702 29.862 1.00 0.00 H +ATOM 922 CD GLU 57 22.110 19.160 31.750 1.00 0.00 C +ATOM 923 OE1 GLU 57 23.350 18.870 31.770 1.00 0.00 O +ATOM 924 OE2 GLU 57 21.270 18.510 32.420 1.00 0.00 O +ATOM 925 C GLU 57 21.160 23.200 29.900 1.00 0.00 C +ATOM 926 O GLU 57 21.220 24.300 30.520 1.00 0.00 O +ATOM 927 N ASN 58 19.950 22.670 29.590 1.00 0.00 N +ATOM 928 HN ASN 58 20.000 21.836 29.044 1.00 0.00 H +ATOM 929 CA ASN 58 18.690 23.180 30.090 1.00 0.00 C +ATOM 930 HA ASN 58 18.660 24.232 29.850 1.00 0.00 H +ATOM 931 CB ASN 58 17.600 22.620 29.160 1.00 0.00 C +ATOM 932 HB1 ASN 58 17.540 21.510 29.130 1.00 0.00 H +ATOM 933 HB2 ASN 58 16.626 23.092 29.410 1.00 0.00 H +ATOM 934 CG ASN 58 17.780 23.070 27.680 1.00 0.00 C +ATOM 935 OD1 ASN 58 18.040 22.330 26.740 1.00 0.00 O +ATOM 936 ND2 ASN 58 17.490 24.330 27.390 1.00 0.00 N +ATOM 937 1HD2 ASN 58 17.058 24.932 28.062 1.00 0.00 H +ATOM 938 2HD2 ASN 58 17.168 24.410 26.446 1.00 0.00 H +ATOM 939 C ASN 58 18.310 22.760 31.560 1.00 0.00 C +ATOM 940 O ASN 58 18.680 21.680 31.970 1.00 0.00 O +ATOM 941 N PRO 59 17.590 23.540 32.320 1.00 0.00 N +ATOM 942 CD PRO 59 16.920 23.010 33.530 1.00 0.00 C +ATOM 943 HD1 PRO 59 17.580 22.470 34.240 1.00 0.00 H +ATOM 944 HD2 PRO 59 15.912 22.582 33.340 1.00 0.00 H +ATOM 945 CA PRO 59 17.030 24.930 32.050 1.00 0.00 C +ATOM 946 HA PRO 59 16.520 24.950 31.098 1.00 0.00 H +ATOM 947 CB PRO 59 16.080 25.180 33.140 1.00 0.00 C +ATOM 948 HB1 PRO 59 15.980 26.222 33.510 1.00 0.00 H +ATOM 949 HB2 PRO 59 15.048 24.890 32.850 1.00 0.00 H +ATOM 950 CG PRO 59 16.590 24.270 34.260 1.00 0.00 C +ATOM 951 HG1 PRO 59 17.420 24.750 34.820 1.00 0.00 H +ATOM 952 HG2 PRO 59 15.814 24.052 35.026 1.00 0.00 H +ATOM 953 C PRO 59 18.110 25.980 32.010 1.00 0.00 C +ATOM 954 O PRO 59 17.960 27.050 31.400 1.00 0.00 O +ATOM 955 N TYR 60 19.260 25.740 32.650 1.00 0.00 N +ATOM 956 HN TYR 60 19.390 24.776 32.870 1.00 0.00 H +ATOM 957 CA TYR 60 20.340 26.560 33.080 1.00 0.00 C +ATOM 958 HA TYR 60 19.988 27.084 33.956 1.00 0.00 H +ATOM 959 CB TYR 60 21.550 25.720 33.660 1.00 0.00 C +ATOM 960 HB1 TYR 60 22.254 25.560 32.816 1.00 0.00 H +ATOM 961 HB2 TYR 60 22.020 26.358 34.438 1.00 0.00 H +ATOM 962 CG TYR 60 21.140 24.540 34.330 1.00 0.00 C +ATOM 963 CD1 TYR 60 20.390 24.490 35.510 1.00 0.00 C +ATOM 964 HD1 TYR 60 20.092 25.396 36.018 1.00 0.00 H +ATOM 965 CE1 TYR 60 19.960 23.300 36.050 1.00 0.00 C +ATOM 966 HE1 TYR 60 19.422 23.310 36.986 1.00 0.00 H +ATOM 967 CZ TYR 60 20.390 22.080 35.560 1.00 0.00 C +ATOM 968 OH TYR 60 20.050 20.890 36.140 1.00 0.00 O +ATOM 969 HH TYR 60 20.492 20.128 35.758 1.00 0.00 H +ATOM 970 CD2 TYR 60 21.470 23.270 33.760 1.00 0.00 C +ATOM 971 HD2 TYR 60 22.110 23.250 32.890 1.00 0.00 H +ATOM 972 CE2 TYR 60 21.110 22.090 34.390 1.00 0.00 C +ATOM 973 HE2 TYR 60 21.380 21.192 33.852 1.00 0.00 H +ATOM 974 C TYR 60 20.800 27.610 32.030 1.00 0.00 C +ATOM 975 O TYR 60 20.880 28.770 32.430 1.00 0.00 O +ATOM 976 N TYR 61 21.100 27.280 30.810 1.00 0.00 N +ATOM 977 HN TYR 61 21.080 26.322 30.530 1.00 0.00 H +ATOM 978 CA TYR 61 21.540 28.210 29.750 1.00 0.00 C +ATOM 979 HA TYR 61 22.050 28.958 30.340 1.00 0.00 H +ATOM 980 CB TYR 61 22.610 27.490 28.900 1.00 0.00 C +ATOM 981 HB1 TYR 61 23.170 28.248 28.312 1.00 0.00 H +ATOM 982 HB2 TYR 61 23.324 27.046 29.624 1.00 0.00 H +ATOM 983 CG TYR 61 22.260 26.580 27.790 1.00 0.00 C +ATOM 984 CD1 TYR 61 21.040 25.890 27.670 1.00 0.00 C +ATOM 985 HD1 TYR 61 20.340 26.020 28.482 1.00 0.00 H +ATOM 986 CE1 TYR 61 20.780 24.960 26.670 1.00 0.00 C +ATOM 987 HE1 TYR 61 19.870 24.380 26.630 1.00 0.00 H +ATOM 988 CZ TYR 61 21.770 24.760 25.660 1.00 0.00 C +ATOM 989 OH TYR 61 21.680 23.760 24.640 1.00 0.00 O +ATOM 990 HH TYR 61 20.884 23.234 24.750 1.00 0.00 H +ATOM 991 CD2 TYR 61 23.100 26.400 26.720 1.00 0.00 C +ATOM 992 HD2 TYR 61 24.098 26.808 26.790 1.00 0.00 H +ATOM 993 CE2 TYR 61 22.970 25.480 25.660 1.00 0.00 C +ATOM 994 HE2 TYR 61 23.824 25.380 25.004 1.00 0.00 H +ATOM 995 C TYR 61 20.460 28.900 28.930 1.00 0.00 C +ATOM 996 O TYR 61 20.800 29.520 27.920 1.00 0.00 O +ATOM 997 N ASP 62 19.180 28.740 29.350 1.00 0.00 N +ATOM 998 HN ASP 62 19.120 28.390 30.282 1.00 0.00 H +ATOM 999 CA ASP 62 18.010 29.270 28.720 1.00 0.00 C +ATOM 1000 HA ASP 62 17.214 28.702 29.178 1.00 0.00 H +ATOM 1001 CB ASP 62 17.990 30.820 29.100 1.00 0.00 C +ATOM 1002 HB1 ASP 62 18.956 31.318 28.870 1.00 0.00 H +ATOM 1003 HB2 ASP 62 17.158 31.340 28.580 1.00 0.00 H +ATOM 1004 CG ASP 62 17.870 30.980 30.590 1.00 0.00 C +ATOM 1005 OD1 ASP 62 16.970 30.260 31.170 1.00 0.00 O +ATOM 1006 OD2 ASP 62 18.530 31.910 31.150 1.00 0.00 O +ATOM 1007 C ASP 62 17.850 29.010 27.240 1.00 0.00 C +ATOM 1008 O ASP 62 17.820 29.950 26.430 1.00 0.00 O +ATOM 1009 N ASN 63 17.840 27.700 26.890 1.00 0.00 N +ATOM 1010 HN ASN 63 17.750 27.066 27.654 1.00 0.00 H +ATOM 1011 CA ASN 63 17.920 27.210 25.500 1.00 0.00 C +ATOM 1012 HA ASN 63 18.270 26.188 25.520 1.00 0.00 H +ATOM 1013 CB ASN 63 16.580 27.220 24.730 1.00 0.00 C +ATOM 1014 HB1 ASN 63 16.200 28.262 24.690 1.00 0.00 H +ATOM 1015 HB2 ASN 63 16.690 26.812 23.702 1.00 0.00 H +ATOM 1016 CG ASN 63 15.440 26.490 25.380 1.00 0.00 C +ATOM 1017 OD1 ASN 63 14.530 27.130 25.940 1.00 0.00 O +ATOM 1018 ND2 ASN 63 15.410 25.120 25.370 1.00 0.00 N +ATOM 1019 1HD2 ASN 63 16.062 24.700 24.738 1.00 0.00 H +ATOM 1020 2HD2 ASN 63 14.650 24.680 25.850 1.00 0.00 H +ATOM 1021 C ASN 63 18.910 27.950 24.610 1.00 0.00 C +ATOM 1022 O ASN 63 18.500 28.430 23.530 1.00 0.00 O +ATOM 1023 N SER 64 20.240 28.080 24.940 1.00 0.00 N +ATOM 1024 HN SER 64 20.570 27.740 25.818 1.00 0.00 H +ATOM 1025 CA SER 64 21.300 28.800 24.270 1.00 0.00 C +ATOM 1026 HA SER 64 22.168 28.540 24.858 1.00 0.00 H +ATOM 1027 CB SER 64 21.490 28.370 22.800 1.00 0.00 C +ATOM 1028 HB1 SER 64 20.488 28.560 22.360 1.00 0.00 H +ATOM 1029 HB2 SER 64 22.252 28.932 22.218 1.00 0.00 H +ATOM 1030 OG SER 64 21.800 27.000 22.900 1.00 0.00 O +ATOM 1031 HG1 SER 64 22.708 26.930 23.202 1.00 0.00 H +ATOM 1032 C SER 64 21.280 30.320 24.310 1.00 0.00 C +ATOM 1033 O SER 64 22.160 31.050 23.730 1.00 0.00 O +ATOM 1034 N THR 65 20.340 30.960 25.080 1.00 0.00 N +ATOM 1035 HN THR 65 19.704 30.542 25.726 1.00 0.00 H +ATOM 1036 CA THR 65 20.260 32.430 25.120 1.00 0.00 C +ATOM 1037 HA THR 65 20.720 32.840 24.232 1.00 0.00 H +ATOM 1038 CB THR 65 18.850 33.040 25.150 1.00 0.00 C +ATOM 1039 HB THR 65 19.000 34.120 24.940 1.00 0.00 H +ATOM 1040 OG1 THR 65 18.110 32.740 26.420 1.00 0.00 O +ATOM 1041 HG1 THR 65 18.130 31.786 26.530 1.00 0.00 H +ATOM 1042 CG2 THR 65 17.940 32.450 24.010 1.00 0.00 C +ATOM 1043 1HG2 THR 65 16.932 32.910 23.920 1.00 0.00 H +ATOM 1044 2HG2 THR 65 18.408 32.530 23.004 1.00 0.00 H +ATOM 1045 3HG2 THR 65 17.790 31.376 24.250 1.00 0.00 H +ATOM 1046 C THR 65 21.010 33.150 26.240 1.00 0.00 C +ATOM 1047 O THR 65 21.280 34.380 26.210 1.00 0.00 O +ATOM 1048 N PHE 66 21.360 32.340 27.260 1.00 0.00 N +ATOM 1049 HN PHE 66 21.020 31.412 27.120 1.00 0.00 H +ATOM 1050 CA PHE 66 22.210 32.570 28.430 1.00 0.00 C +ATOM 1051 HA PHE 66 22.110 31.666 29.012 1.00 0.00 H +ATOM 1052 CB PHE 66 23.670 33.000 28.080 1.00 0.00 C +ATOM 1053 HB1 PHE 66 23.690 33.908 27.440 1.00 0.00 H +ATOM 1054 HB2 PHE 66 24.288 33.170 28.988 1.00 0.00 H +ATOM 1055 CG PHE 66 24.370 31.980 27.320 1.00 0.00 C +ATOM 1056 CD1 PHE 66 24.470 32.110 25.910 1.00 0.00 C +ATOM 1057 HD1 PHE 66 24.060 32.992 25.440 1.00 0.00 H +ATOM 1058 CE1 PHE 66 24.990 31.040 25.160 1.00 0.00 C +ATOM 1059 HE1 PHE 66 25.000 31.100 24.082 1.00 0.00 H +ATOM 1060 CZ PHE 66 25.410 29.870 25.780 1.00 0.00 C +ATOM 1061 HZ PHE 66 25.702 28.992 25.224 1.00 0.00 H +ATOM 1062 CD2 PHE 66 24.810 30.810 27.950 1.00 0.00 C +ATOM 1063 HD2 PHE 66 24.770 30.710 29.024 1.00 0.00 H +ATOM 1064 CE2 PHE 66 25.300 29.760 27.190 1.00 0.00 C +ATOM 1065 HE2 PHE 66 25.650 28.892 27.730 1.00 0.00 H +ATOM 1066 C PHE 66 21.700 33.640 29.320 1.00 0.00 C +ATOM 1067 O PHE 66 22.450 34.290 30.010 1.00 0.00 O +ATOM 1068 N ALA 67 20.370 33.850 29.280 1.00 0.00 N +ATOM 1069 HN ALA 67 19.822 33.242 28.712 1.00 0.00 H +ATOM 1070 CA ALA 67 19.710 35.030 29.890 1.00 0.00 C +ATOM 1071 HA ALA 67 20.020 35.930 29.380 1.00 0.00 H +ATOM 1072 CB ALA 67 18.200 34.950 29.710 1.00 0.00 C +ATOM 1073 HB1 ALA 67 18.100 35.020 28.606 1.00 0.00 H +ATOM 1074 HB2 ALA 67 17.730 34.000 30.040 1.00 0.00 H +ATOM 1075 HB3 ALA 67 17.580 35.750 30.170 1.00 0.00 H +ATOM 1076 C ALA 67 19.980 35.180 31.340 1.00 0.00 C +ATOM 1077 O ALA 67 20.360 36.210 31.820 1.00 0.00 O +ATOM 1078 N SER 68 19.870 34.120 32.100 1.00 0.00 N +ATOM 1079 HN SER 68 19.540 33.342 31.572 1.00 0.00 H +ATOM 1080 CA SER 68 20.100 33.930 33.510 1.00 0.00 C +ATOM 1081 HA SER 68 19.672 34.816 33.958 1.00 0.00 H +ATOM 1082 CB SER 68 19.570 32.490 33.950 1.00 0.00 C +ATOM 1083 HB1 SER 68 19.710 32.400 35.048 1.00 0.00 H +ATOM 1084 HB2 SER 68 18.496 32.610 33.692 1.00 0.00 H +ATOM 1085 OG SER 68 20.200 31.400 33.220 1.00 0.00 O +ATOM 1086 HG1 SER 68 19.788 31.480 32.356 1.00 0.00 H +ATOM 1087 C SER 68 21.510 34.090 33.940 1.00 0.00 C +ATOM 1088 O SER 68 21.830 34.200 35.140 1.00 0.00 O +ATOM 1089 N HIS 69 22.470 34.170 33.000 1.00 0.00 N +ATOM 1090 HN HIS 69 22.350 34.090 32.014 1.00 0.00 H +ATOM 1091 CA HIS 69 23.840 34.420 33.270 1.00 0.00 C +ATOM 1092 HA HIS 69 23.970 34.022 34.266 1.00 0.00 H +ATOM 1093 CB HIS 69 24.730 33.650 32.320 1.00 0.00 C +ATOM 1094 HB1 HIS 69 24.520 33.940 31.268 1.00 0.00 H +ATOM 1095 HB2 HIS 69 25.816 33.880 32.360 1.00 0.00 H +ATOM 1096 ND1 HIS 69 25.410 31.430 33.050 1.00 0.00 N +ATOM 1097 CG HIS 69 24.420 32.160 32.460 1.00 0.00 C +ATOM 1098 CE1 HIS 69 25.050 30.180 32.870 1.00 0.00 C +ATOM 1099 HE1 HIS 69 25.540 29.322 33.330 1.00 0.00 H +ATOM 1100 NE2 HIS 69 23.910 30.080 32.200 1.00 0.00 N +ATOM 1101 HE2 HIS 69 23.438 29.206 32.100 1.00 0.00 H +ATOM 1102 CD2 HIS 69 23.480 31.350 31.890 1.00 0.00 C +ATOM 1103 HD2 HIS 69 22.562 31.580 31.362 1.00 0.00 H +ATOM 1104 C HIS 69 24.220 35.850 33.250 1.00 0.00 C +ATOM 1105 O HIS 69 25.370 36.200 33.190 1.00 0.00 O +ATOM 1106 N PHE 70 23.290 36.770 33.330 1.00 0.00 N +ATOM 1107 HN PHE 70 22.414 36.292 33.360 1.00 0.00 H +ATOM 1108 CA PHE 70 23.450 38.180 33.390 1.00 0.00 C +ATOM 1109 HA PHE 70 24.506 38.280 33.600 1.00 0.00 H +ATOM 1110 CB PHE 70 23.080 38.790 32.060 1.00 0.00 C +ATOM 1111 HB1 PHE 70 22.038 38.510 31.800 1.00 0.00 H +ATOM 1112 HB2 PHE 70 23.190 39.884 32.220 1.00 0.00 H +ATOM 1113 CG PHE 70 24.040 38.360 30.910 1.00 0.00 C +ATOM 1114 CD1 PHE 70 23.870 37.170 30.250 1.00 0.00 C +ATOM 1115 HD1 PHE 70 23.034 36.582 30.598 1.00 0.00 H +ATOM 1116 CE1 PHE 70 24.620 36.840 29.110 1.00 0.00 C +ATOM 1117 HE1 PHE 70 24.570 35.860 28.660 1.00 0.00 H +ATOM 1118 CZ PHE 70 25.630 37.680 28.710 1.00 0.00 C +ATOM 1119 HZ PHE 70 26.290 37.410 27.900 1.00 0.00 H +ATOM 1120 CD2 PHE 70 24.930 39.260 30.380 1.00 0.00 C +ATOM 1121 HD2 PHE 70 24.900 40.256 30.798 1.00 0.00 H +ATOM 1122 CE2 PHE 70 25.850 38.920 29.340 1.00 0.00 C +ATOM 1123 HE2 PHE 70 26.608 39.628 29.040 1.00 0.00 H +ATOM 1124 C PHE 70 22.640 38.710 34.520 1.00 0.00 C +ATOM 1125 O PHE 70 21.580 38.140 34.850 1.00 0.00 O +ATOM 1126 N TYR 71 23.020 39.800 35.150 1.00 0.00 N +ATOM 1127 HN TYR 71 23.940 40.160 35.020 1.00 0.00 H +ATOM 1128 CA TYR 71 22.250 40.520 36.180 1.00 0.00 C +ATOM 1129 HA TYR 71 21.198 40.530 35.940 1.00 0.00 H +ATOM 1130 CB TYR 71 22.410 39.820 37.540 1.00 0.00 C +ATOM 1131 HB1 TYR 71 21.902 38.832 37.540 1.00 0.00 H +ATOM 1132 HB2 TYR 71 23.490 39.690 37.770 1.00 0.00 H +ATOM 1133 CG TYR 71 21.780 40.590 38.710 1.00 0.00 C +ATOM 1134 CD1 TYR 71 20.510 40.350 39.130 1.00 0.00 C +ATOM 1135 HD1 TYR 71 19.972 39.512 38.712 1.00 0.00 H +ATOM 1136 CE1 TYR 71 19.900 41.070 40.150 1.00 0.00 C +ATOM 1137 HE1 TYR 71 18.900 40.790 40.450 1.00 0.00 H +ATOM 1138 CZ TYR 71 20.620 42.050 40.860 1.00 0.00 C +ATOM 1139 OH TYR 71 19.960 42.720 41.910 1.00 0.00 O +ATOM 1140 HH TYR 71 19.092 42.810 41.510 1.00 0.00 H +ATOM 1141 CD2 TYR 71 22.550 41.520 39.360 1.00 0.00 C +ATOM 1142 HD2 TYR 71 23.538 41.700 38.960 1.00 0.00 H +ATOM 1143 CE2 TYR 71 21.980 42.290 40.420 1.00 0.00 C +ATOM 1144 HE2 TYR 71 22.592 42.972 40.992 1.00 0.00 H +ATOM 1145 C TYR 71 22.760 42.010 36.120 1.00 0.00 C +ATOM 1146 O TYR 71 23.900 42.230 36.560 1.00 0.00 O +ATOM 1147 N ASP 72 21.910 42.940 35.570 1.00 0.00 N +ATOM 1148 HN ASP 72 20.964 42.738 35.328 1.00 0.00 H +ATOM 1149 CA ASP 72 22.270 44.350 35.680 1.00 0.00 C +ATOM 1150 HA ASP 72 23.338 44.500 35.640 1.00 0.00 H +ATOM 1151 CB ASP 72 21.710 45.200 34.530 1.00 0.00 C +ATOM 1152 HB1 ASP 72 22.230 45.000 33.570 1.00 0.00 H +ATOM 1153 HB2 ASP 72 20.614 45.020 34.560 1.00 0.00 H +ATOM 1154 CG ASP 72 21.920 46.720 34.710 1.00 0.00 C +ATOM 1155 OD1 ASP 72 22.020 47.260 35.840 1.00 0.00 O +ATOM 1156 OD2 ASP 72 21.880 47.470 33.730 1.00 0.00 O +ATOM 1157 C ASP 72 21.790 44.830 37.100 1.00 0.00 C +ATOM 1158 O ASP 72 20.600 44.730 37.390 1.00 0.00 O +ATOM 1159 N PRO 73 22.690 45.400 37.950 1.00 0.00 N +ATOM 1160 CD PRO 73 24.100 45.650 37.720 1.00 0.00 C +ATOM 1161 HD1 PRO 73 24.100 46.352 36.858 1.00 0.00 H +ATOM 1162 HD2 PRO 73 24.508 44.644 37.482 1.00 0.00 H +ATOM 1163 CA PRO 73 22.390 45.670 39.350 1.00 0.00 C +ATOM 1164 HA PRO 73 21.774 44.854 39.698 1.00 0.00 H +ATOM 1165 CB PRO 73 23.660 45.770 40.070 1.00 0.00 C +ATOM 1166 HB1 PRO 73 23.730 46.578 40.828 1.00 0.00 H +ATOM 1167 HB2 PRO 73 24.000 44.768 40.410 1.00 0.00 H +ATOM 1168 CG PRO 73 24.660 46.210 38.970 1.00 0.00 C +ATOM 1169 HG1 PRO 73 24.710 47.320 39.010 1.00 0.00 H +ATOM 1170 HG2 PRO 73 25.712 45.900 39.140 1.00 0.00 H +ATOM 1171 C PRO 73 21.500 46.900 39.520 1.00 0.00 C +ATOM 1172 O PRO 73 20.780 46.950 40.520 1.00 0.00 O +ATOM 1173 N ASP 74 21.510 47.850 38.560 1.00 0.00 N +ATOM 1174 HN ASP 74 22.000 47.730 37.700 1.00 0.00 H +ATOM 1175 CA ASP 74 20.710 49.080 38.600 1.00 0.00 C +ATOM 1176 HA ASP 74 20.710 49.430 39.622 1.00 0.00 H +ATOM 1177 CB ASP 74 21.320 50.090 37.560 1.00 0.00 C +ATOM 1178 HB1 ASP 74 21.380 49.622 36.554 1.00 0.00 H +ATOM 1179 HB2 ASP 74 20.706 51.016 37.570 1.00 0.00 H +ATOM 1180 CG ASP 74 22.710 50.480 38.020 1.00 0.00 C +ATOM 1181 OD1 ASP 74 22.960 50.800 39.180 1.00 0.00 O +ATOM 1182 OD2 ASP 74 23.580 50.510 37.110 1.00 0.00 O +ATOM 1183 C ASP 74 19.210 48.840 38.340 1.00 0.00 C +ATOM 1184 O ASP 74 18.360 49.290 39.090 1.00 0.00 O +ATOM 1185 N ASN 75 18.880 48.130 37.320 1.00 0.00 N +ATOM 1186 HN ASN 75 19.530 47.740 36.670 1.00 0.00 H +ATOM 1187 CA ASN 75 17.460 47.960 36.940 1.00 0.00 C +ATOM 1188 HA ASN 75 16.900 48.710 37.480 1.00 0.00 H +ATOM 1189 CB ASN 75 17.240 48.230 35.410 1.00 0.00 C +ATOM 1190 HB1 ASN 75 16.170 48.000 35.220 1.00 0.00 H +ATOM 1191 HB2 ASN 75 17.520 49.288 35.220 1.00 0.00 H +ATOM 1192 CG ASN 75 17.980 47.340 34.400 1.00 0.00 C +ATOM 1193 OD1 ASN 75 18.150 46.150 34.610 1.00 0.00 O +ATOM 1194 ND2 ASN 75 18.250 47.940 33.210 1.00 0.00 N +ATOM 1195 1HD2 ASN 75 18.250 48.936 33.110 1.00 0.00 H +ATOM 1196 2HD2 ASN 75 18.820 47.390 32.600 1.00 0.00 H +ATOM 1197 C ASN 75 16.900 46.610 37.280 1.00 0.00 C +ATOM 1198 O ASN 75 15.690 46.410 37.160 1.00 0.00 O +ATOM 1199 N GLY 76 17.720 45.620 37.680 1.00 0.00 N +ATOM 1200 HN GLY 76 18.670 45.790 37.430 1.00 0.00 H +ATOM 1201 CA GLY 76 17.250 44.230 38.080 1.00 0.00 C +ATOM 1202 HA1 GLY 76 18.110 43.670 38.420 1.00 0.00 H +ATOM 1203 HA2 GLY 76 16.458 44.370 38.802 1.00 0.00 H +ATOM 1204 C GLY 76 16.730 43.400 36.940 1.00 0.00 C +ATOM 1205 O GLY 76 15.850 42.570 37.080 1.00 0.00 O +ATOM 1206 N LYS 77 17.270 43.640 35.710 1.00 0.00 N +ATOM 1207 HN LYS 77 17.930 44.380 35.610 1.00 0.00 H +ATOM 1208 CA LYS 77 16.830 42.880 34.540 1.00 0.00 C +ATOM 1209 HA LYS 77 16.352 41.932 34.740 1.00 0.00 H +ATOM 1210 CB LYS 77 16.110 43.760 33.460 1.00 0.00 C +ATOM 1211 HB1 LYS 77 16.730 44.540 32.970 1.00 0.00 H +ATOM 1212 HB2 LYS 77 16.000 43.090 32.580 1.00 0.00 H +ATOM 1213 CG LYS 77 14.830 44.450 33.940 1.00 0.00 C +ATOM 1214 HG1 LYS 77 14.040 43.740 34.270 1.00 0.00 H +ATOM 1215 HG2 LYS 77 14.970 45.052 34.862 1.00 0.00 H +ATOM 1216 CD LYS 77 14.220 45.320 32.860 1.00 0.00 C +ATOM 1217 HD1 LYS 77 15.018 45.948 32.410 1.00 0.00 H +ATOM 1218 HD2 LYS 77 13.850 44.670 32.040 1.00 0.00 H +ATOM 1219 CE LYS 77 12.980 45.970 33.420 1.00 0.00 C +ATOM 1220 HE1 LYS 77 12.126 45.266 33.510 1.00 0.00 H +ATOM 1221 HE2 LYS 77 13.130 46.402 34.432 1.00 0.00 H +ATOM 1222 NZ LYS 77 12.570 47.120 32.610 1.00 0.00 N +ATOM 1223 HZ1 LYS 77 12.450 46.870 31.608 1.00 0.00 H +ATOM 1224 HZ2 LYS 77 11.642 47.370 33.010 1.00 0.00 H +ATOM 1225 HZ3 LYS 77 13.194 47.944 32.720 1.00 0.00 H +ATOM 1226 C LYS 77 18.110 42.320 33.930 1.00 0.00 C +ATOM 1227 O LYS 77 19.270 42.760 34.160 1.00 0.00 O +ATOM 1228 N THR 78 17.980 41.300 33.100 1.00 0.00 N +ATOM 1229 HN THR 78 17.016 41.050 33.060 1.00 0.00 H +ATOM 1230 CA THR 78 18.860 40.780 32.050 1.00 0.00 C +ATOM 1231 HA THR 78 19.820 41.200 32.310 1.00 0.00 H +ATOM 1232 CB THR 78 19.060 39.230 32.050 1.00 0.00 C +ATOM 1233 HB THR 78 19.480 39.020 33.058 1.00 0.00 H +ATOM 1234 OG1 THR 78 19.870 38.740 31.020 1.00 0.00 O +ATOM 1235 HG1 THR 78 20.098 37.856 31.318 1.00 0.00 H +ATOM 1236 CG2 THR 78 17.700 38.470 31.970 1.00 0.00 C +ATOM 1237 1HG2 THR 78 17.860 37.372 31.900 1.00 0.00 H +ATOM 1238 2HG2 THR 78 17.038 38.840 32.782 1.00 0.00 H +ATOM 1239 3HG2 THR 78 17.188 38.790 31.038 1.00 0.00 H +ATOM 1240 C THR 78 18.490 41.400 30.730 1.00 0.00 C +ATOM 1241 O THR 78 17.480 42.110 30.660 1.00 0.00 O +ATOM 1242 N TYR 79 19.340 41.170 29.730 1.00 0.00 N +ATOM 1243 HN TYR 79 19.982 40.416 29.840 1.00 0.00 H +ATOM 1244 CA TYR 79 19.320 41.780 28.470 1.00 0.00 C +ATOM 1245 HA TYR 79 19.220 42.820 28.740 1.00 0.00 H +ATOM 1246 CB TYR 79 20.620 41.580 27.750 1.00 0.00 C +ATOM 1247 HB1 TYR 79 20.610 42.220 26.842 1.00 0.00 H +ATOM 1248 HB2 TYR 79 21.488 41.730 28.428 1.00 0.00 H +ATOM 1249 CG TYR 79 20.720 40.190 27.020 1.00 0.00 C +ATOM 1250 CD1 TYR 79 21.400 39.030 27.550 1.00 0.00 C +ATOM 1251 HD1 TYR 79 21.868 39.030 28.524 1.00 0.00 H +ATOM 1252 CE1 TYR 79 21.480 37.820 26.830 1.00 0.00 C +ATOM 1253 HE1 TYR 79 22.018 36.964 27.208 1.00 0.00 H +ATOM 1254 CZ TYR 79 20.990 37.800 25.490 1.00 0.00 C +ATOM 1255 OH TYR 79 21.040 36.590 24.750 1.00 0.00 O +ATOM 1256 HH TYR 79 21.030 35.892 25.408 1.00 0.00 H +ATOM 1257 CD2 TYR 79 20.100 39.980 25.790 1.00 0.00 C +ATOM 1258 HD2 TYR 79 19.548 40.792 25.340 1.00 0.00 H +ATOM 1259 CE2 TYR 79 20.240 38.810 25.030 1.00 0.00 C +ATOM 1260 HE2 TYR 79 19.750 38.660 24.080 1.00 0.00 H +ATOM 1261 C TYR 79 17.990 41.590 27.610 1.00 0.00 C +ATOM 1262 O TYR 79 17.450 42.420 26.910 1.00 0.00 O +ATOM 1263 N ILE 80 17.360 40.390 27.830 1.00 0.00 N +ATOM 1264 HN ILE 80 17.770 39.620 28.310 1.00 0.00 H +ATOM 1265 CA ILE 80 15.970 40.030 27.360 1.00 0.00 C +ATOM 1266 HA ILE 80 15.780 40.610 26.470 1.00 0.00 H +ATOM 1267 CB ILE 80 15.770 38.530 27.000 1.00 0.00 C +ATOM 1268 HB ILE 80 15.860 37.948 27.942 1.00 0.00 H +ATOM 1269 CG2 ILE 80 14.330 38.230 26.600 1.00 0.00 C +ATOM 1270 1HG2 ILE 80 14.062 38.946 25.794 1.00 0.00 H +ATOM 1271 2HG2 ILE 80 14.320 37.232 26.112 1.00 0.00 H +ATOM 1272 3HG2 ILE 80 13.592 38.370 27.418 1.00 0.00 H +ATOM 1273 CG1 ILE 80 16.760 38.030 25.970 1.00 0.00 C +ATOM 1274 1HG1 ILE 80 16.542 38.518 24.996 1.00 0.00 H +ATOM 1275 2HG1 ILE 80 17.746 38.382 26.342 1.00 0.00 H +ATOM 1276 CD ILE 80 16.840 36.550 25.700 1.00 0.00 C +ATOM 1277 HD1 ILE 80 17.682 36.330 25.008 1.00 0.00 H +ATOM 1278 HD2 ILE 80 16.970 36.020 26.668 1.00 0.00 H +ATOM 1279 HD3 ILE 80 15.882 36.200 25.260 1.00 0.00 H +ATOM 1280 C ILE 80 14.970 40.430 28.500 1.00 0.00 C +ATOM 1281 O ILE 80 15.080 39.980 29.630 1.00 0.00 O +ATOM 1282 N PRO 81 14.020 41.410 28.300 1.00 0.00 N +ATOM 1283 CD PRO 81 14.180 42.370 27.210 1.00 0.00 C +ATOM 1284 HD1 PRO 81 14.280 41.902 26.206 1.00 0.00 H +ATOM 1285 HD2 PRO 81 15.128 42.940 27.310 1.00 0.00 H +ATOM 1286 CA PRO 81 12.830 41.700 29.140 1.00 0.00 C +ATOM 1287 HA PRO 81 13.210 42.280 29.968 1.00 0.00 H +ATOM 1288 CB PRO 81 12.000 42.540 28.250 1.00 0.00 C +ATOM 1289 HB1 PRO 81 11.322 41.980 27.572 1.00 0.00 H +ATOM 1290 HB2 PRO 81 11.340 43.280 28.750 1.00 0.00 H +ATOM 1291 CG PRO 81 13.020 43.340 27.430 1.00 0.00 C +ATOM 1292 HG1 PRO 81 12.618 43.582 26.424 1.00 0.00 H +ATOM 1293 HG2 PRO 81 13.420 44.170 28.050 1.00 0.00 H +ATOM 1294 C PRO 81 12.140 40.520 29.630 1.00 0.00 C +ATOM 1295 O PRO 81 11.840 39.690 28.800 1.00 0.00 O +ATOM 1296 N PHE 82 11.990 40.390 30.910 1.00 0.00 N +ATOM 1297 HN PHE 82 12.362 41.114 31.484 1.00 0.00 H +ATOM 1298 CA PHE 82 11.130 39.500 31.630 1.00 0.00 C +ATOM 1299 HA PHE 82 10.980 39.888 32.626 1.00 0.00 H +ATOM 1300 CB PHE 82 9.790 39.370 30.980 1.00 0.00 C +ATOM 1301 HB1 PHE 82 9.940 38.990 29.948 1.00 0.00 H +ATOM 1302 HB2 PHE 82 8.974 38.862 31.538 1.00 0.00 H +ATOM 1303 CG PHE 82 9.120 40.700 30.750 1.00 0.00 C +ATOM 1304 CD1 PHE 82 8.810 41.530 31.870 1.00 0.00 C +ATOM 1305 HD1 PHE 82 9.000 41.140 32.860 1.00 0.00 H +ATOM 1306 CE1 PHE 82 8.140 42.780 31.520 1.00 0.00 C +ATOM 1307 HE1 PHE 82 8.120 43.544 32.284 1.00 0.00 H +ATOM 1308 CZ PHE 82 7.910 43.240 30.230 1.00 0.00 C +ATOM 1309 HZ PHE 82 7.640 44.280 30.120 1.00 0.00 H +ATOM 1310 CD2 PHE 82 8.780 41.110 29.460 1.00 0.00 C +ATOM 1311 HD2 PHE 82 9.042 40.426 28.666 1.00 0.00 H +ATOM 1312 CE2 PHE 82 8.110 42.330 29.200 1.00 0.00 C +ATOM 1313 HE2 PHE 82 7.830 42.550 28.180 1.00 0.00 H +ATOM 1314 C PHE 82 11.670 38.100 31.810 1.00 0.00 C +ATOM 1315 O PHE 82 11.170 37.290 32.570 1.00 0.00 O +ATOM 1316 N ALA 83 12.780 37.780 31.190 1.00 0.00 N +ATOM 1317 HN ALA 83 13.202 38.434 30.566 1.00 0.00 H +ATOM 1318 CA ALA 83 13.580 36.580 31.380 1.00 0.00 C +ATOM 1319 HA ALA 83 12.920 35.732 31.490 1.00 0.00 H +ATOM 1320 CB ALA 83 14.470 36.410 30.160 1.00 0.00 C +ATOM 1321 HB1 ALA 83 13.776 36.108 29.346 1.00 0.00 H +ATOM 1322 HB2 ALA 83 14.970 37.368 29.900 1.00 0.00 H +ATOM 1323 HB3 ALA 83 15.308 35.712 30.370 1.00 0.00 H +ATOM 1324 C ALA 83 14.290 36.580 32.660 1.00 0.00 C +ATOM 1325 O ALA 83 14.590 37.700 33.140 1.00 0.00 O +ATOM 1326 N LYS 84 14.540 35.440 33.280 1.00 0.00 N +ATOM 1327 HN LYS 84 14.140 34.600 32.920 1.00 0.00 H +ATOM 1328 CA LYS 84 15.180 35.420 34.660 1.00 0.00 C +ATOM 1329 HA LYS 84 14.516 35.974 35.304 1.00 0.00 H +ATOM 1330 CB LYS 84 15.120 33.940 35.190 1.00 0.00 C +ATOM 1331 HB1 LYS 84 15.850 33.310 34.640 1.00 0.00 H +ATOM 1332 HB2 LYS 84 15.488 34.000 36.236 1.00 0.00 H +ATOM 1333 CG LYS 84 13.710 33.300 35.120 1.00 0.00 C +ATOM 1334 HG1 LYS 84 13.370 33.200 34.068 1.00 0.00 H +ATOM 1335 HG2 LYS 84 13.820 32.344 35.678 1.00 0.00 H +ATOM 1336 CD LYS 84 12.610 34.110 35.820 1.00 0.00 C +ATOM 1337 HD1 LYS 84 12.900 34.500 36.820 1.00 0.00 H +ATOM 1338 HD2 LYS 84 12.620 35.040 35.210 1.00 0.00 H +ATOM 1339 CE LYS 84 11.240 33.440 35.950 1.00 0.00 C +ATOM 1340 HE1 LYS 84 10.466 34.122 36.362 1.00 0.00 H +ATOM 1341 HE2 LYS 84 10.820 32.980 35.030 1.00 0.00 H +ATOM 1342 NZ LYS 84 11.330 32.300 36.970 1.00 0.00 N +ATOM 1343 HZ1 LYS 84 10.380 32.130 37.360 1.00 0.00 H +ATOM 1344 HZ2 LYS 84 11.688 31.414 36.562 1.00 0.00 H +ATOM 1345 HZ3 LYS 84 11.972 32.620 37.722 1.00 0.00 H +ATOM 1346 C LYS 84 16.640 35.960 34.670 1.00 0.00 C +ATOM 1347 O LYS 84 17.380 35.770 33.700 1.00 0.00 O +ATOM 1348 N GLN 85 17.110 36.550 35.790 1.00 0.00 N +ATOM 1349 HN GLN 85 16.452 36.800 36.498 1.00 0.00 H +ATOM 1350 CA GLN 85 18.480 36.990 36.060 1.00 0.00 C +ATOM 1351 HA GLN 85 19.074 36.778 35.184 1.00 0.00 H +ATOM 1352 CB GLN 85 18.610 38.490 36.310 1.00 0.00 C +ATOM 1353 HB1 GLN 85 19.586 38.732 36.782 1.00 0.00 H +ATOM 1354 HB2 GLN 85 18.630 39.054 35.354 1.00 0.00 H +ATOM 1355 CG GLN 85 17.460 39.200 37.170 1.00 0.00 C +ATOM 1356 HG1 GLN 85 17.590 40.302 37.230 1.00 0.00 H +ATOM 1357 HG2 GLN 85 16.486 38.998 36.678 1.00 0.00 H +ATOM 1358 CD GLN 85 17.360 38.710 38.630 1.00 0.00 C +ATOM 1359 OE1 GLN 85 18.110 37.890 39.160 1.00 0.00 O +ATOM 1360 NE2 GLN 85 16.590 39.430 39.470 1.00 0.00 N +ATOM 1361 1HE2 GLN 85 15.684 39.712 39.158 1.00 0.00 H +ATOM 1362 2HE2 GLN 85 16.640 39.142 40.426 1.00 0.00 H +ATOM 1363 C GLN 85 19.250 36.150 37.050 1.00 0.00 C +ATOM 1364 O GLN 85 18.650 35.320 37.830 1.00 0.00 O +ATOM 1365 N ALA 86 20.610 36.350 37.030 1.00 0.00 N +ATOM 1366 HN ALA 86 20.958 37.136 36.524 1.00 0.00 H +ATOM 1367 CA ALA 86 21.510 35.500 37.820 1.00 0.00 C +ATOM 1368 HA ALA 86 21.400 34.462 37.540 1.00 0.00 H +ATOM 1369 CB ALA 86 23.050 35.900 37.620 1.00 0.00 C +ATOM 1370 HB1 ALA 86 23.708 35.072 37.960 1.00 0.00 H +ATOM 1371 HB2 ALA 86 23.230 36.130 36.548 1.00 0.00 H +ATOM 1372 HB3 ALA 86 23.240 36.840 38.180 1.00 0.00 H +ATOM 1373 C ALA 86 21.180 35.530 39.350 1.00 0.00 C +ATOM 1374 O ALA 86 21.240 34.520 40.010 1.00 0.00 O +ATOM 1375 N LYS 87 20.780 36.760 39.840 1.00 0.00 N +ATOM 1376 HN LYS 87 20.630 37.496 39.184 1.00 0.00 H +ATOM 1377 CA LYS 87 20.500 36.870 41.280 1.00 0.00 C +ATOM 1378 HA LYS 87 21.380 36.510 41.790 1.00 0.00 H +ATOM 1379 CB LYS 87 20.160 38.280 41.820 1.00 0.00 C +ATOM 1380 HB1 LYS 87 21.022 38.902 41.500 1.00 0.00 H +ATOM 1381 HB2 LYS 87 19.204 38.598 41.352 1.00 0.00 H +ATOM 1382 CG LYS 87 19.930 38.500 43.360 1.00 0.00 C +ATOM 1383 HG1 LYS 87 19.160 37.810 43.770 1.00 0.00 H +ATOM 1384 HG2 LYS 87 20.868 38.130 43.828 1.00 0.00 H +ATOM 1385 CD LYS 87 19.740 39.960 43.760 1.00 0.00 C +ATOM 1386 HD1 LYS 87 19.912 40.172 44.836 1.00 0.00 H +ATOM 1387 HD2 LYS 87 20.512 40.592 43.270 1.00 0.00 H +ATOM 1388 CE LYS 87 18.370 40.500 43.450 1.00 0.00 C +ATOM 1389 HE1 LYS 87 18.158 40.680 42.374 1.00 0.00 H +ATOM 1390 HE2 LYS 87 17.644 39.714 43.748 1.00 0.00 H +ATOM 1391 NZ LYS 87 18.080 41.750 44.210 1.00 0.00 N +ATOM 1392 HZ1 LYS 87 17.044 41.840 44.210 1.00 0.00 H +ATOM 1393 HZ2 LYS 87 18.350 41.760 45.214 1.00 0.00 H +ATOM 1394 HZ3 LYS 87 18.400 42.620 43.740 1.00 0.00 H +ATOM 1395 C LYS 87 19.360 36.020 41.810 1.00 0.00 C +ATOM 1396 O LYS 87 19.560 35.340 42.810 1.00 0.00 O +ATOM 1397 N GLU 88 18.220 35.890 41.080 1.00 0.00 N +ATOM 1398 HN GLU 88 18.070 36.468 40.282 1.00 0.00 H +ATOM 1399 CA GLU 88 17.170 34.970 41.410 1.00 0.00 C +ATOM 1400 HA GLU 88 17.150 35.060 42.486 1.00 0.00 H +ATOM 1401 CB GLU 88 15.820 35.460 40.660 1.00 0.00 C +ATOM 1402 HB1 GLU 88 14.970 34.780 40.880 1.00 0.00 H +ATOM 1403 HB2 GLU 88 15.530 36.460 41.050 1.00 0.00 H +ATOM 1404 CG GLU 88 15.770 35.460 39.100 1.00 0.00 C +ATOM 1405 HG1 GLU 88 16.650 36.000 38.690 1.00 0.00 H +ATOM 1406 HG2 GLU 88 15.760 34.402 38.760 1.00 0.00 H +ATOM 1407 CD GLU 88 14.600 36.180 38.490 1.00 0.00 C +ATOM 1408 OE1 GLU 88 13.440 35.960 38.900 1.00 0.00 O +ATOM 1409 OE2 GLU 88 14.820 36.970 37.530 1.00 0.00 O +ATOM 1410 C GLU 88 17.470 33.560 41.090 1.00 0.00 C +ATOM 1411 O GLU 88 17.110 32.650 41.840 1.00 0.00 O +ATOM 1412 N THR 89 18.190 33.280 40.010 1.00 0.00 N +ATOM 1413 HN THR 89 18.480 34.060 39.460 1.00 0.00 H +ATOM 1414 CA THR 89 18.450 32.000 39.540 1.00 0.00 C +ATOM 1415 HA THR 89 17.576 31.378 39.660 1.00 0.00 H +ATOM 1416 CB THR 89 18.920 31.970 38.140 1.00 0.00 C +ATOM 1417 HB THR 89 19.838 32.588 38.050 1.00 0.00 H +ATOM 1418 OG1 THR 89 18.010 32.610 37.250 1.00 0.00 O +ATOM 1419 HG1 THR 89 18.150 33.560 37.240 1.00 0.00 H +ATOM 1420 CG2 THR 89 19.110 30.490 37.660 1.00 0.00 C +ATOM 1421 1HG2 THR 89 20.014 30.062 38.146 1.00 0.00 H +ATOM 1422 2HG2 THR 89 18.182 29.970 37.980 1.00 0.00 H +ATOM 1423 3HG2 THR 89 19.220 30.410 36.558 1.00 0.00 H +ATOM 1424 C THR 89 19.490 31.360 40.410 1.00 0.00 C +ATOM 1425 O THR 89 19.390 30.180 40.820 1.00 0.00 O +ATOM 1426 N GLY 90 20.530 32.050 40.910 1.00 0.00 N +ATOM 1427 HN GLY 90 20.470 33.000 40.610 1.00 0.00 H +ATOM 1428 CA GLY 90 21.670 31.520 41.710 1.00 0.00 C +ATOM 1429 HA1 GLY 90 21.990 30.602 41.240 1.00 0.00 H +ATOM 1430 HA2 GLY 90 22.322 32.374 41.810 1.00 0.00 H +ATOM 1431 C GLY 90 21.330 31.290 43.100 1.00 0.00 C +ATOM 1432 O GLY 90 21.870 30.400 43.690 1.00 0.00 O +ATOM 1433 N ALA 91 20.390 32.110 43.610 1.00 0.00 N +ATOM 1434 HN ALA 91 19.960 32.820 43.060 1.00 0.00 H +ATOM 1435 CA ALA 91 19.830 31.970 44.920 1.00 0.00 C +ATOM 1436 HA ALA 91 20.672 31.900 45.592 1.00 0.00 H +ATOM 1437 CB ALA 91 19.190 33.260 45.210 1.00 0.00 C +ATOM 1438 HB1 ALA 91 18.902 33.190 46.282 1.00 0.00 H +ATOM 1439 HB2 ALA 91 19.952 34.062 45.130 1.00 0.00 H +ATOM 1440 HB3 ALA 91 18.430 33.590 44.470 1.00 0.00 H +ATOM 1441 C ALA 91 18.860 30.790 44.980 1.00 0.00 C +ATOM 1442 O ALA 91 18.690 30.230 46.030 1.00 0.00 O +ATOM 1443 N LYS 92 18.250 30.440 43.800 1.00 0.00 N +ATOM 1444 HN LYS 92 18.330 30.920 42.930 1.00 0.00 H +ATOM 1445 CA LYS 92 17.430 29.240 43.810 1.00 0.00 C +ATOM 1446 HA LYS 92 16.762 29.310 44.656 1.00 0.00 H +ATOM 1447 CB LYS 92 16.630 29.110 42.470 1.00 0.00 C +ATOM 1448 HB1 LYS 92 15.830 29.880 42.460 1.00 0.00 H +ATOM 1449 HB2 LYS 92 17.328 29.420 41.662 1.00 0.00 H +ATOM 1450 CG LYS 92 16.080 27.780 42.020 1.00 0.00 C +ATOM 1451 HG1 LYS 92 16.840 27.030 41.710 1.00 0.00 H +ATOM 1452 HG2 LYS 92 15.510 27.280 42.830 1.00 0.00 H +ATOM 1453 CD LYS 92 15.180 27.930 40.810 1.00 0.00 C +ATOM 1454 HD1 LYS 92 14.390 28.660 41.090 1.00 0.00 H +ATOM 1455 HD2 LYS 92 15.820 28.510 40.110 1.00 0.00 H +ATOM 1456 CE LYS 92 14.800 26.560 40.170 1.00 0.00 C +ATOM 1457 HE1 LYS 92 15.656 25.906 39.898 1.00 0.00 H +ATOM 1458 HE2 LYS 92 14.192 25.982 40.898 1.00 0.00 H +ATOM 1459 NZ LYS 92 13.990 26.850 38.940 1.00 0.00 N +ATOM 1460 HZ1 LYS 92 13.512 26.016 38.542 1.00 0.00 H +ATOM 1461 HZ2 LYS 92 13.318 27.612 39.160 1.00 0.00 H +ATOM 1462 HZ3 LYS 92 14.588 27.238 38.182 1.00 0.00 H +ATOM 1463 C LYS 92 18.210 27.930 44.030 1.00 0.00 C +ATOM 1464 O LYS 92 17.820 27.000 44.690 1.00 0.00 O +ATOM 1465 N TYR 93 19.340 27.810 43.360 1.00 0.00 N +ATOM 1466 HN TYR 93 19.702 28.542 42.788 1.00 0.00 H +ATOM 1467 CA TYR 93 20.330 26.750 43.500 1.00 0.00 C +ATOM 1468 HA TYR 93 19.840 25.788 43.510 1.00 0.00 H +ATOM 1469 CB TYR 93 21.290 26.820 42.310 1.00 0.00 C +ATOM 1470 HB1 TYR 93 21.762 27.824 42.240 1.00 0.00 H +ATOM 1471 HB2 TYR 93 22.124 26.086 42.330 1.00 0.00 H +ATOM 1472 CG TYR 93 20.540 26.530 40.990 1.00 0.00 C +ATOM 1473 CD1 TYR 93 19.700 25.400 40.940 1.00 0.00 C +ATOM 1474 HD1 TYR 93 19.600 24.724 41.776 1.00 0.00 H +ATOM 1475 CE1 TYR 93 18.760 25.200 39.840 1.00 0.00 C +ATOM 1476 HE1 TYR 93 18.088 24.358 39.910 1.00 0.00 H +ATOM 1477 CZ TYR 93 18.760 26.080 38.800 1.00 0.00 C +ATOM 1478 OH TYR 93 17.700 25.980 37.850 1.00 0.00 O +ATOM 1479 HH TYR 93 17.790 26.740 37.270 1.00 0.00 H +ATOM 1480 CD2 TYR 93 20.540 27.370 39.880 1.00 0.00 C +ATOM 1481 HD2 TYR 93 21.180 28.238 39.820 1.00 0.00 H +ATOM 1482 CE2 TYR 93 19.640 27.170 38.750 1.00 0.00 C +ATOM 1483 HE2 TYR 93 19.690 27.848 37.912 1.00 0.00 H +ATOM 1484 C TYR 93 21.060 26.740 44.810 1.00 0.00 C +ATOM 1485 O TYR 93 21.440 25.700 45.360 1.00 0.00 O +ATOM 1486 N PHE 94 21.250 27.910 45.470 1.00 0.00 N +ATOM 1487 HN PHE 94 20.958 28.784 45.088 1.00 0.00 H +ATOM 1488 CA PHE 94 21.910 27.960 46.750 1.00 0.00 C +ATOM 1489 HA PHE 94 22.904 27.538 46.770 1.00 0.00 H +ATOM 1490 CB PHE 94 22.050 29.420 47.100 1.00 0.00 C +ATOM 1491 HB1 PHE 94 22.468 30.058 46.292 1.00 0.00 H +ATOM 1492 HB2 PHE 94 21.072 29.920 47.270 1.00 0.00 H +ATOM 1493 CG PHE 94 22.880 29.750 48.340 1.00 0.00 C +ATOM 1494 CD1 PHE 94 22.170 29.950 49.480 1.00 0.00 C +ATOM 1495 HD1 PHE 94 21.096 29.990 49.590 1.00 0.00 H +ATOM 1496 CE1 PHE 94 22.940 30.290 50.640 1.00 0.00 C +ATOM 1497 HE1 PHE 94 22.408 30.400 51.574 1.00 0.00 H +ATOM 1498 CZ PHE 94 24.310 30.410 50.580 1.00 0.00 C +ATOM 1499 HZ PHE 94 24.882 30.712 51.444 1.00 0.00 H +ATOM 1500 CD2 PHE 94 24.250 29.870 48.270 1.00 0.00 C +ATOM 1501 HD2 PHE 94 24.768 29.730 47.332 1.00 0.00 H +ATOM 1502 CE2 PHE 94 24.970 30.250 49.370 1.00 0.00 C +ATOM 1503 HE2 PHE 94 26.046 30.320 49.420 1.00 0.00 H +ATOM 1504 C PHE 94 20.980 27.280 47.770 1.00 0.00 C +ATOM 1505 O PHE 94 21.440 26.560 48.660 1.00 0.00 O +ATOM 1506 N LYS 95 19.640 27.620 47.660 1.00 0.00 N +ATOM 1507 HN LYS 95 19.368 28.294 46.976 1.00 0.00 H +ATOM 1508 CA LYS 95 18.610 27.050 48.530 1.00 0.00 C +ATOM 1509 HA LYS 95 18.760 27.070 49.600 1.00 0.00 H +ATOM 1510 CB LYS 95 17.460 27.990 48.250 1.00 0.00 C +ATOM 1511 HB1 LYS 95 17.248 28.070 47.162 1.00 0.00 H +ATOM 1512 HB2 LYS 95 16.514 27.638 48.712 1.00 0.00 H +ATOM 1513 CG LYS 95 17.610 29.460 48.800 1.00 0.00 C +ATOM 1514 HG1 LYS 95 17.772 29.500 49.898 1.00 0.00 H +ATOM 1515 HG2 LYS 95 18.604 29.832 48.468 1.00 0.00 H +ATOM 1516 CD LYS 95 16.410 30.370 48.380 1.00 0.00 C +ATOM 1517 HD1 LYS 95 16.430 30.290 47.272 1.00 0.00 H +ATOM 1518 HD2 LYS 95 15.494 29.962 48.858 1.00 0.00 H +ATOM 1519 CE LYS 95 16.620 31.810 48.780 1.00 0.00 C +ATOM 1520 HE1 LYS 95 17.572 32.100 48.288 1.00 0.00 H +ATOM 1521 HE2 LYS 95 15.804 32.468 48.412 1.00 0.00 H +ATOM 1522 NZ LYS 95 16.710 31.880 50.270 1.00 0.00 N +ATOM 1523 HZ1 LYS 95 16.420 32.828 50.590 1.00 0.00 H +ATOM 1524 HZ2 LYS 95 16.158 31.248 50.882 1.00 0.00 H +ATOM 1525 HZ3 LYS 95 17.714 31.760 50.512 1.00 0.00 H +ATOM 1526 C LYS 95 18.320 25.540 48.210 1.00 0.00 C +ATOM 1527 O LYS 95 18.310 24.740 49.080 1.00 0.00 O +ATOM 1528 N LEU 96 18.240 25.150 46.960 1.00 0.00 N +ATOM 1529 HN LEU 96 18.460 25.828 46.262 1.00 0.00 H +ATOM 1530 CA LEU 96 18.130 23.750 46.640 1.00 0.00 C +ATOM 1531 HA LEU 96 17.210 23.360 47.050 1.00 0.00 H +ATOM 1532 CB LEU 96 18.120 23.610 45.160 1.00 0.00 C +ATOM 1533 HB1 LEU 96 18.942 24.252 44.778 1.00 0.00 H +ATOM 1534 HB2 LEU 96 18.210 22.542 44.870 1.00 0.00 H +ATOM 1535 CG LEU 96 16.810 23.930 44.440 1.00 0.00 C +ATOM 1536 HG LEU 96 16.382 24.848 44.898 1.00 0.00 H +ATOM 1537 CD1 LEU 96 17.120 24.160 42.980 1.00 0.00 C +ATOM 1538 1HD1 LEU 96 17.618 23.274 42.532 1.00 0.00 H +ATOM 1539 2HD1 LEU 96 16.148 24.250 42.450 1.00 0.00 H +ATOM 1540 3HD1 LEU 96 17.768 25.058 42.890 1.00 0.00 H +ATOM 1541 CD2 LEU 96 15.720 22.800 44.540 1.00 0.00 C +ATOM 1542 1HD2 LEU 96 16.170 21.808 44.320 1.00 0.00 H +ATOM 1543 2HD2 LEU 96 15.502 22.602 45.612 1.00 0.00 H +ATOM 1544 3HD2 LEU 96 14.728 23.070 44.120 1.00 0.00 H +ATOM 1545 C LEU 96 19.310 22.930 47.130 1.00 0.00 C +ATOM 1546 O LEU 96 19.100 21.860 47.680 1.00 0.00 O +ATOM 1547 N ALA 97 20.560 23.440 46.980 1.00 0.00 N +ATOM 1548 HN ALA 97 20.650 24.368 46.628 1.00 0.00 H +ATOM 1549 CA ALA 97 21.780 22.750 47.450 1.00 0.00 C +ATOM 1550 HA ALA 97 21.900 21.790 46.970 1.00 0.00 H +ATOM 1551 CB ALA 97 22.990 23.580 47.020 1.00 0.00 C +ATOM 1552 HB1 ALA 97 23.934 23.218 47.482 1.00 0.00 H +ATOM 1553 HB2 ALA 97 23.160 23.520 45.924 1.00 0.00 H +ATOM 1554 HB3 ALA 97 22.840 24.604 47.428 1.00 0.00 H +ATOM 1555 C ALA 97 21.770 22.630 48.970 1.00 0.00 C +ATOM 1556 O ALA 97 22.070 21.580 49.530 1.00 0.00 O +ATOM 1557 N GLY 98 21.440 23.680 49.770 1.00 0.00 N +ATOM 1558 HN GLY 98 21.230 24.586 49.412 1.00 0.00 H +ATOM 1559 CA GLY 98 21.150 23.630 51.230 1.00 0.00 C +ATOM 1560 HA1 GLY 98 22.012 23.320 51.802 1.00 0.00 H +ATOM 1561 HA2 GLY 98 20.850 24.618 51.550 1.00 0.00 H +ATOM 1562 C GLY 98 20.090 22.750 51.660 1.00 0.00 C +ATOM 1563 O GLY 98 20.250 22.130 52.710 1.00 0.00 O +ATOM 1564 N GLU 99 18.960 22.690 50.970 1.00 0.00 N +ATOM 1565 HN GLU 99 18.790 23.410 50.300 1.00 0.00 H +ATOM 1566 CA GLU 99 17.980 21.710 51.160 1.00 0.00 C +ATOM 1567 HA GLU 99 17.662 21.760 52.192 1.00 0.00 H +ATOM 1568 CB GLU 99 16.760 21.980 50.230 1.00 0.00 C +ATOM 1569 HB1 GLU 99 17.198 22.208 49.234 1.00 0.00 H +ATOM 1570 HB2 GLU 99 16.122 21.072 50.200 1.00 0.00 H +ATOM 1571 CG GLU 99 15.880 23.110 50.680 1.00 0.00 C +ATOM 1572 HG1 GLU 99 15.140 22.760 51.430 1.00 0.00 H +ATOM 1573 HG2 GLU 99 16.462 23.952 51.112 1.00 0.00 H +ATOM 1574 CD GLU 99 15.040 23.670 49.540 1.00 0.00 C +ATOM 1575 OE1 GLU 99 15.050 23.040 48.450 1.00 0.00 O +ATOM 1576 OE2 GLU 99 14.320 24.700 49.860 1.00 0.00 O +ATOM 1577 C GLU 99 18.360 20.280 50.990 1.00 0.00 C +ATOM 1578 O GLU 99 18.080 19.450 51.890 1.00 0.00 O +ATOM 1579 N SER 100 19.030 19.960 49.830 1.00 0.00 N +ATOM 1580 HN SER 100 19.010 20.518 49.004 1.00 0.00 H +ATOM 1581 CA SER 100 19.600 18.640 49.650 1.00 0.00 C +ATOM 1582 HA SER 100 18.780 17.960 49.830 1.00 0.00 H +ATOM 1583 CB SER 100 20.130 18.510 48.250 1.00 0.00 C +ATOM 1584 HB1 SER 100 20.742 19.384 47.938 1.00 0.00 H +ATOM 1585 HB2 SER 100 20.820 17.640 48.190 1.00 0.00 H +ATOM 1586 OG SER 100 19.080 18.310 47.300 1.00 0.00 O +ATOM 1587 HG1 SER 100 18.690 17.438 47.390 1.00 0.00 H +ATOM 1588 C SER 100 20.670 18.230 50.620 1.00 0.00 C +ATOM 1589 O SER 100 20.650 17.100 51.130 1.00 0.00 O +ATOM 1590 N TYR 101 21.560 19.190 51.100 1.00 0.00 N +ATOM 1591 HN TYR 101 21.420 20.136 50.818 1.00 0.00 H +ATOM 1592 CA TYR 101 22.580 18.960 52.140 1.00 0.00 C +ATOM 1593 HA TYR 101 23.092 18.038 51.910 1.00 0.00 H +ATOM 1594 CB TYR 101 23.470 20.210 52.210 1.00 0.00 C +ATOM 1595 HB1 TYR 101 23.790 20.380 51.160 1.00 0.00 H +ATOM 1596 HB2 TYR 101 22.878 21.122 52.440 1.00 0.00 H +ATOM 1597 CG TYR 101 24.700 19.900 53.030 1.00 0.00 C +ATOM 1598 CD1 TYR 101 25.910 19.300 52.500 1.00 0.00 C +ATOM 1599 HD1 TYR 101 25.870 19.000 51.462 1.00 0.00 H +ATOM 1600 CE1 TYR 101 27.120 19.190 53.260 1.00 0.00 C +ATOM 1601 HE1 TYR 101 28.030 18.790 52.840 1.00 0.00 H +ATOM 1602 CZ TYR 101 27.110 19.690 54.550 1.00 0.00 C +ATOM 1603 OH TYR 101 28.290 19.440 55.290 1.00 0.00 O +ATOM 1604 HH TYR 101 28.130 19.752 56.184 1.00 0.00 H +ATOM 1605 CD2 TYR 101 24.840 20.430 54.360 1.00 0.00 C +ATOM 1606 HD2 TYR 101 23.972 20.798 54.888 1.00 0.00 H +ATOM 1607 CE2 TYR 101 26.010 20.420 55.070 1.00 0.00 C +ATOM 1608 HE2 TYR 101 26.040 20.740 56.100 1.00 0.00 H +ATOM 1609 C TYR 101 21.980 18.540 53.480 1.00 0.00 C +ATOM 1610 O TYR 101 22.420 17.610 54.240 1.00 0.00 O +ATOM 1611 N LYS 102 20.860 19.210 53.860 1.00 0.00 N +ATOM 1612 HN LYS 102 20.520 19.952 53.288 1.00 0.00 H +ATOM 1613 CA LYS 102 20.160 18.900 55.060 1.00 0.00 C +ATOM 1614 HA LYS 102 20.872 19.010 55.864 1.00 0.00 H +ATOM 1615 CB LYS 102 18.970 19.900 55.240 1.00 0.00 C +ATOM 1616 HB1 LYS 102 18.248 19.890 54.396 1.00 0.00 H +ATOM 1617 HB2 LYS 102 18.398 19.438 56.072 1.00 0.00 H +ATOM 1618 CG LYS 102 19.370 21.270 55.840 1.00 0.00 C +ATOM 1619 HG1 LYS 102 19.762 21.160 56.874 1.00 0.00 H +ATOM 1620 HG2 LYS 102 20.100 21.810 55.200 1.00 0.00 H +ATOM 1621 CD LYS 102 18.160 22.250 55.890 1.00 0.00 C +ATOM 1622 HD1 LYS 102 17.890 22.520 54.848 1.00 0.00 H +ATOM 1623 HD2 LYS 102 17.280 21.690 56.270 1.00 0.00 H +ATOM 1624 CE LYS 102 18.450 23.570 56.670 1.00 0.00 C +ATOM 1625 HE1 LYS 102 18.830 23.390 57.698 1.00 0.00 H +ATOM 1626 HE2 LYS 102 19.232 24.122 56.108 1.00 0.00 H +ATOM 1627 NZ LYS 102 17.200 24.280 56.960 1.00 0.00 N +ATOM 1628 HZ1 LYS 102 16.770 24.570 56.058 1.00 0.00 H +ATOM 1629 HZ2 LYS 102 16.458 23.718 57.422 1.00 0.00 H +ATOM 1630 HZ3 LYS 102 17.410 25.118 57.538 1.00 0.00 H +ATOM 1631 C LYS 102 19.650 17.380 55.070 1.00 0.00 C +ATOM 1632 O LYS 102 19.670 16.770 56.120 1.00 0.00 O +ATOM 1633 N ASN 103 19.200 16.860 53.880 1.00 0.00 N +ATOM 1634 HN ASN 103 19.220 17.404 53.044 1.00 0.00 H +ATOM 1635 CA ASN 103 18.600 15.510 53.730 1.00 0.00 C +ATOM 1636 HA ASN 103 18.150 15.200 54.662 1.00 0.00 H +ATOM 1637 CB ASN 103 17.520 15.470 52.640 1.00 0.00 C +ATOM 1638 HB1 ASN 103 17.940 15.750 51.650 1.00 0.00 H +ATOM 1639 HB2 ASN 103 17.118 14.436 52.580 1.00 0.00 H +ATOM 1640 CG ASN 103 16.330 16.360 52.950 1.00 0.00 C +ATOM 1641 OD1 ASN 103 16.180 17.130 53.940 1.00 0.00 O +ATOM 1642 ND2 ASN 103 15.320 16.340 51.990 1.00 0.00 N +ATOM 1643 1HD2 ASN 103 15.260 15.440 51.560 1.00 0.00 H +ATOM 1644 2HD2 ASN 103 14.610 17.040 51.910 1.00 0.00 H +ATOM 1645 C ASN 103 19.580 14.420 53.560 1.00 0.00 C +ATOM 1646 O ASN 103 19.270 13.320 53.120 1.00 0.00 O +ATOM 1647 N LYS 104 20.950 14.720 53.750 1.00 0.00 N +ATOM 1648 HN LYS 104 21.070 15.692 53.930 1.00 0.00 H +ATOM 1649 CA LYS 104 22.040 13.880 53.570 1.00 0.00 C +ATOM 1650 HA LYS 104 22.862 14.522 53.850 1.00 0.00 H +ATOM 1651 CB LYS 104 21.960 12.670 54.620 1.00 0.00 C +ATOM 1652 HB1 LYS 104 20.978 12.170 54.480 1.00 0.00 H +ATOM 1653 HB2 LYS 104 22.792 12.018 54.280 1.00 0.00 H +ATOM 1654 CG LYS 104 22.230 13.080 56.110 1.00 0.00 C +ATOM 1655 HG1 LYS 104 22.050 12.138 56.670 1.00 0.00 H +ATOM 1656 HG2 LYS 104 23.298 13.390 56.090 1.00 0.00 H +ATOM 1657 CD LYS 104 21.400 14.260 56.680 1.00 0.00 C +ATOM 1658 HD1 LYS 104 21.790 15.188 56.210 1.00 0.00 H +ATOM 1659 HD2 LYS 104 20.386 14.080 56.262 1.00 0.00 H +ATOM 1660 CE LYS 104 21.350 14.300 58.190 1.00 0.00 C +ATOM 1661 HE1 LYS 104 20.918 13.408 58.692 1.00 0.00 H +ATOM 1662 HE2 LYS 104 22.364 14.430 58.622 1.00 0.00 H +ATOM 1663 NZ LYS 104 20.410 15.420 58.620 1.00 0.00 N +ATOM 1664 HZ1 LYS 104 20.540 16.328 58.130 1.00 0.00 H +ATOM 1665 HZ2 LYS 104 19.432 15.068 58.630 1.00 0.00 H +ATOM 1666 HZ3 LYS 104 20.620 15.640 59.614 1.00 0.00 H +ATOM 1667 C LYS 104 22.210 13.490 52.140 1.00 0.00 C +ATOM 1668 O LYS 104 22.810 12.480 51.820 1.00 0.00 O +ATOM 1669 N ASP 105 21.840 14.370 51.140 1.00 0.00 N +ATOM 1670 HN ASP 105 21.502 15.276 51.380 1.00 0.00 H +ATOM 1671 CA ASP 105 21.930 14.110 49.760 1.00 0.00 C +ATOM 1672 HA ASP 105 22.300 13.112 49.570 1.00 0.00 H +ATOM 1673 CB ASP 105 20.560 14.220 49.040 1.00 0.00 C +ATOM 1674 HB1 ASP 105 19.862 13.474 49.478 1.00 0.00 H +ATOM 1675 HB2 ASP 105 20.220 15.274 49.130 1.00 0.00 H +ATOM 1676 CG ASP 105 20.530 13.980 47.550 1.00 0.00 C +ATOM 1677 OD1 ASP 105 21.510 13.650 46.870 1.00 0.00 O +ATOM 1678 OD2 ASP 105 19.350 14.010 47.060 1.00 0.00 O +ATOM 1679 C ASP 105 23.030 14.930 49.190 1.00 0.00 C +ATOM 1680 O ASP 105 22.890 16.050 48.690 1.00 0.00 O +ATOM 1681 N MET 106 24.230 14.500 49.480 1.00 0.00 N +ATOM 1682 HN MET 106 24.470 13.660 49.960 1.00 0.00 H +ATOM 1683 CA MET 106 25.430 15.200 49.000 1.00 0.00 C +ATOM 1684 HA MET 106 25.430 16.190 49.430 1.00 0.00 H +ATOM 1685 CB MET 106 26.720 14.480 49.470 1.00 0.00 C +ATOM 1686 HB1 MET 106 26.750 13.408 49.180 1.00 0.00 H +ATOM 1687 HB2 MET 106 27.644 14.932 49.048 1.00 0.00 H +ATOM 1688 CG MET 106 26.770 14.400 51.040 1.00 0.00 C +ATOM 1689 HG1 MET 106 25.868 13.830 51.350 1.00 0.00 H +ATOM 1690 HG2 MET 106 27.674 13.798 51.270 1.00 0.00 H +ATOM 1691 SD MET 106 26.690 16.030 51.740 1.00 0.00 S +ATOM 1692 CE MET 106 25.190 15.820 52.770 1.00 0.00 C +ATOM 1693 HE1 MET 106 24.858 16.716 53.334 1.00 0.00 H +ATOM 1694 HE2 MET 106 24.306 15.572 52.144 1.00 0.00 H +ATOM 1695 HE3 MET 106 25.360 15.064 53.566 1.00 0.00 H +ATOM 1696 C MET 106 25.560 15.430 47.480 1.00 0.00 C +ATOM 1697 O MET 106 25.750 16.580 47.080 1.00 0.00 O +ATOM 1698 N LYS 107 25.270 14.370 46.650 1.00 0.00 N +ATOM 1699 HN LYS 107 25.120 13.430 46.950 1.00 0.00 H +ATOM 1700 CA LYS 107 25.290 14.430 45.180 1.00 0.00 C +ATOM 1701 HA LYS 107 26.328 14.640 44.970 1.00 0.00 H +ATOM 1702 CB LYS 107 24.900 13.020 44.590 1.00 0.00 C +ATOM 1703 HB1 LYS 107 23.940 12.640 45.000 1.00 0.00 H +ATOM 1704 HB2 LYS 107 24.840 13.200 43.496 1.00 0.00 H +ATOM 1705 CG LYS 107 26.040 11.990 44.650 1.00 0.00 C +ATOM 1706 HG1 LYS 107 26.962 12.370 44.160 1.00 0.00 H +ATOM 1707 HG2 LYS 107 26.278 11.960 45.736 1.00 0.00 H +ATOM 1708 CD LYS 107 25.700 10.580 44.040 1.00 0.00 C +ATOM 1709 HD1 LYS 107 25.092 10.012 44.778 1.00 0.00 H +ATOM 1710 HD2 LYS 107 25.308 10.690 43.006 1.00 0.00 H +ATOM 1711 CE LYS 107 26.920 9.680 43.850 1.00 0.00 C +ATOM 1712 HE1 LYS 107 27.598 9.740 44.728 1.00 0.00 H +ATOM 1713 HE2 LYS 107 26.610 8.622 43.710 1.00 0.00 H +ATOM 1714 NZ LYS 107 27.720 10.060 42.630 1.00 0.00 N +ATOM 1715 HZ1 LYS 107 28.616 9.536 42.680 1.00 0.00 H +ATOM 1716 HZ2 LYS 107 27.222 9.960 41.722 1.00 0.00 H +ATOM 1717 HZ3 LYS 107 28.020 11.052 42.700 1.00 0.00 H +ATOM 1718 C LYS 107 24.580 15.650 44.560 1.00 0.00 C +ATOM 1719 O LYS 107 25.160 16.350 43.740 1.00 0.00 O +ATOM 1720 N GLN 108 23.280 15.810 44.950 1.00 0.00 N +ATOM 1721 HN GLN 108 22.814 15.134 45.516 1.00 0.00 H +ATOM 1722 CA GLN 108 22.400 16.880 44.640 1.00 0.00 C +ATOM 1723 HA GLN 108 22.450 16.930 43.562 1.00 0.00 H +ATOM 1724 CB GLN 108 20.960 16.560 45.110 1.00 0.00 C +ATOM 1725 HB1 GLN 108 20.900 15.450 45.110 1.00 0.00 H +ATOM 1726 HB2 GLN 108 20.900 16.740 46.204 1.00 0.00 H +ATOM 1727 CG GLN 108 19.770 16.980 44.190 1.00 0.00 C +ATOM 1728 HG1 GLN 108 18.832 16.490 44.530 1.00 0.00 H +ATOM 1729 HG2 GLN 108 19.630 18.082 44.230 1.00 0.00 H +ATOM 1730 CD GLN 108 20.000 16.530 42.800 1.00 0.00 C +ATOM 1731 OE1 GLN 108 19.760 17.250 41.870 1.00 0.00 O +ATOM 1732 NE2 GLN 108 20.290 15.210 42.670 1.00 0.00 N +ATOM 1733 1HE2 GLN 108 19.958 14.618 43.404 1.00 0.00 H +ATOM 1734 2HE2 GLN 108 20.610 14.830 41.802 1.00 0.00 H +ATOM 1735 C GLN 108 22.940 18.140 45.260 1.00 0.00 C +ATOM 1736 O GLN 108 22.990 19.220 44.620 1.00 0.00 O +ATOM 1737 N ALA 109 23.330 18.100 46.500 1.00 0.00 N +ATOM 1738 HN ALA 109 23.230 17.294 47.078 1.00 0.00 H +ATOM 1739 CA ALA 109 23.850 19.340 47.150 1.00 0.00 C +ATOM 1740 HA ALA 109 22.972 19.968 47.110 1.00 0.00 H +ATOM 1741 CB ALA 109 24.150 19.060 48.600 1.00 0.00 C +ATOM 1742 HB1 ALA 109 23.224 18.612 49.018 1.00 0.00 H +ATOM 1743 HB2 ALA 109 25.114 18.524 48.730 1.00 0.00 H +ATOM 1744 HB3 ALA 109 24.310 20.052 49.072 1.00 0.00 H +ATOM 1745 C ALA 109 25.050 20.060 46.470 1.00 0.00 C +ATOM 1746 O ALA 109 25.000 21.240 46.080 1.00 0.00 O +ATOM 1747 N PHE 110 26.190 19.400 46.270 1.00 0.00 N +ATOM 1748 HN PHE 110 26.200 18.434 46.512 1.00 0.00 H +ATOM 1749 CA PHE 110 27.390 19.860 45.580 1.00 0.00 C +ATOM 1750 HA PHE 110 27.620 20.814 46.032 1.00 0.00 H +ATOM 1751 CB PHE 110 28.670 19.050 45.860 1.00 0.00 C +ATOM 1752 HB1 PHE 110 28.390 18.002 45.620 1.00 0.00 H +ATOM 1753 HB2 PHE 110 29.596 19.372 45.338 1.00 0.00 H +ATOM 1754 CG PHE 110 28.950 19.210 47.350 1.00 0.00 C +ATOM 1755 CD1 PHE 110 29.530 20.390 47.870 1.00 0.00 C +ATOM 1756 HD1 PHE 110 29.972 20.972 47.076 1.00 0.00 H +ATOM 1757 CE1 PHE 110 29.780 20.600 49.190 1.00 0.00 C +ATOM 1758 HE1 PHE 110 30.212 21.524 49.542 1.00 0.00 H +ATOM 1759 CZ PHE 110 29.380 19.640 50.190 1.00 0.00 C +ATOM 1760 HZ PHE 110 29.640 19.870 51.212 1.00 0.00 H +ATOM 1761 CD2 PHE 110 28.570 18.290 48.370 1.00 0.00 C +ATOM 1762 HD2 PHE 110 28.098 17.388 48.010 1.00 0.00 H +ATOM 1763 CE2 PHE 110 28.720 18.520 49.790 1.00 0.00 C +ATOM 1764 HE2 PHE 110 28.552 17.766 50.544 1.00 0.00 H +ATOM 1765 C PHE 110 27.250 20.180 44.060 1.00 0.00 C +ATOM 1766 O PHE 110 27.880 21.110 43.590 1.00 0.00 O +ATOM 1767 N PHE 111 26.370 19.440 43.330 1.00 0.00 N +ATOM 1768 HN PHE 111 25.952 18.642 43.758 1.00 0.00 H +ATOM 1769 CA PHE 111 25.930 19.770 41.920 1.00 0.00 C +ATOM 1770 HA PHE 111 26.738 19.930 41.222 1.00 0.00 H +ATOM 1771 CB PHE 111 25.140 18.620 41.380 1.00 0.00 C +ATOM 1772 HB1 PHE 111 25.808 17.732 41.370 1.00 0.00 H +ATOM 1773 HB2 PHE 111 24.298 18.300 42.030 1.00 0.00 H +ATOM 1774 CG PHE 111 24.530 18.890 39.990 1.00 0.00 C +ATOM 1775 CD1 PHE 111 25.350 18.820 38.850 1.00 0.00 C +ATOM 1776 HD1 PHE 111 26.378 18.510 38.970 1.00 0.00 H +ATOM 1777 CE1 PHE 111 24.820 19.190 37.630 1.00 0.00 C +ATOM 1778 HE1 PHE 111 25.516 19.320 36.814 1.00 0.00 H +ATOM 1779 CZ PHE 111 23.510 19.630 37.480 1.00 0.00 C +ATOM 1780 HZ PHE 111 23.018 19.860 36.546 1.00 0.00 H +ATOM 1781 CD2 PHE 111 23.230 19.390 39.860 1.00 0.00 C +ATOM 1782 HD2 PHE 111 22.580 19.580 40.700 1.00 0.00 H +ATOM 1783 CE2 PHE 111 22.700 19.660 38.640 1.00 0.00 C +ATOM 1784 HE2 PHE 111 21.672 19.990 38.690 1.00 0.00 H +ATOM 1785 C PHE 111 25.200 21.070 41.890 1.00 0.00 C +ATOM 1786 O PHE 111 25.600 21.970 41.180 1.00 0.00 O +ATOM 1787 N TYR 112 24.200 21.300 42.800 1.00 0.00 N +ATOM 1788 HN TYR 112 24.012 20.564 43.446 1.00 0.00 H +ATOM 1789 CA TYR 112 23.450 22.530 42.750 1.00 0.00 C +ATOM 1790 HA TYR 112 23.200 22.720 41.718 1.00 0.00 H +ATOM 1791 CB TYR 112 22.140 22.360 43.610 1.00 0.00 C +ATOM 1792 HB1 TYR 112 22.538 21.732 44.436 1.00 0.00 H +ATOM 1793 HB2 TYR 112 21.800 23.292 44.110 1.00 0.00 H +ATOM 1794 CG TYR 112 21.060 21.650 42.740 1.00 0.00 C +ATOM 1795 CD1 TYR 112 20.790 22.210 41.480 1.00 0.00 C +ATOM 1796 HD1 TYR 112 21.372 23.032 41.090 1.00 0.00 H +ATOM 1797 CE1 TYR 112 19.610 21.790 40.780 1.00 0.00 C +ATOM 1798 HE1 TYR 112 19.402 22.068 39.756 1.00 0.00 H +ATOM 1799 CZ TYR 112 18.780 20.800 41.220 1.00 0.00 C +ATOM 1800 OH TYR 112 17.570 20.500 40.500 1.00 0.00 O +ATOM 1801 HH TYR 112 17.800 20.928 39.672 1.00 0.00 H +ATOM 1802 CD2 TYR 112 20.240 20.600 43.230 1.00 0.00 C +ATOM 1803 HD2 TYR 112 20.420 20.168 44.204 1.00 0.00 H +ATOM 1804 CE2 TYR 112 19.030 20.250 42.490 1.00 0.00 C +ATOM 1805 HE2 TYR 112 18.298 19.508 42.770 1.00 0.00 H +ATOM 1806 C TYR 112 24.280 23.690 43.350 1.00 0.00 C +ATOM 1807 O TYR 112 23.990 24.860 42.910 1.00 0.00 O +ATOM 1808 N LEU 113 25.290 23.400 44.220 1.00 0.00 N +ATOM 1809 HN LEU 113 25.422 22.482 44.584 1.00 0.00 H +ATOM 1810 CA LEU 113 26.190 24.390 44.710 1.00 0.00 C +ATOM 1811 HA LEU 113 25.638 25.232 45.100 1.00 0.00 H +ATOM 1812 CB LEU 113 27.110 23.790 45.820 1.00 0.00 C +ATOM 1813 HB1 LEU 113 26.450 23.550 46.680 1.00 0.00 H +ATOM 1814 HB2 LEU 113 27.480 22.850 45.360 1.00 0.00 H +ATOM 1815 CG LEU 113 28.320 24.660 46.170 1.00 0.00 C +ATOM 1816 HG LEU 113 28.872 24.892 45.236 1.00 0.00 H +ATOM 1817 CD1 LEU 113 27.990 26.090 46.720 1.00 0.00 C +ATOM 1818 1HD1 LEU 113 27.078 26.480 46.220 1.00 0.00 H +ATOM 1819 2HD1 LEU 113 27.732 25.980 47.796 1.00 0.00 H +ATOM 1820 3HD1 LEU 113 28.856 26.778 46.610 1.00 0.00 H +ATOM 1821 CD2 LEU 113 29.200 23.950 47.130 1.00 0.00 C +ATOM 1822 1HD2 LEU 113 30.046 24.538 47.548 1.00 0.00 H +ATOM 1823 2HD2 LEU 113 28.660 23.450 47.962 1.00 0.00 H +ATOM 1824 3HD2 LEU 113 29.738 23.182 46.532 1.00 0.00 H +ATOM 1825 C LEU 113 27.060 24.870 43.620 1.00 0.00 C +ATOM 1826 O LEU 113 27.370 26.050 43.490 1.00 0.00 O +ATOM 1827 N GLY 114 27.420 23.930 42.730 1.00 0.00 N +ATOM 1828 HN GLY 114 27.220 22.962 42.860 1.00 0.00 H +ATOM 1829 CA GLY 114 28.300 24.180 41.560 1.00 0.00 C +ATOM 1830 HA1 GLY 114 29.148 24.730 41.940 1.00 0.00 H +ATOM 1831 HA2 GLY 114 28.650 23.220 41.210 1.00 0.00 H +ATOM 1832 C GLY 114 27.730 25.120 40.560 1.00 0.00 C +ATOM 1833 O GLY 114 28.410 26.080 40.160 1.00 0.00 O +ATOM 1834 N LEU 115 26.470 24.850 40.220 1.00 0.00 N +ATOM 1835 HN LEU 115 26.112 23.976 40.538 1.00 0.00 H +ATOM 1836 CA LEU 115 25.540 25.710 39.460 1.00 0.00 C +ATOM 1837 HA LEU 115 25.992 25.900 38.498 1.00 0.00 H +ATOM 1838 CB LEU 115 24.140 25.000 39.370 1.00 0.00 C +ATOM 1839 HB1 LEU 115 23.930 24.480 40.330 1.00 0.00 H +ATOM 1840 HB2 LEU 115 23.310 25.710 39.160 1.00 0.00 H +ATOM 1841 CG LEU 115 23.990 23.890 38.340 1.00 0.00 C +ATOM 1842 HG LEU 115 24.704 23.074 38.582 1.00 0.00 H +ATOM 1843 CD1 LEU 115 22.650 23.150 38.400 1.00 0.00 C +ATOM 1844 1HD1 LEU 115 22.530 22.488 39.284 1.00 0.00 H +ATOM 1845 2HD1 LEU 115 21.830 23.900 38.420 1.00 0.00 H +ATOM 1846 3HD1 LEU 115 22.510 22.500 37.510 1.00 0.00 H +ATOM 1847 CD2 LEU 115 24.260 24.400 36.990 1.00 0.00 C +ATOM 1848 1HD2 LEU 115 24.250 23.512 36.322 1.00 0.00 H +ATOM 1849 2HD2 LEU 115 23.438 25.060 36.640 1.00 0.00 H +ATOM 1850 3HD2 LEU 115 25.312 24.720 36.830 1.00 0.00 H +ATOM 1851 C LEU 115 25.380 27.100 40.150 1.00 0.00 C +ATOM 1852 O LEU 115 25.610 28.090 39.490 1.00 0.00 O +ATOM 1853 N SER 116 25.240 27.130 41.450 1.00 0.00 N +ATOM 1854 HN SER 116 25.210 26.308 42.014 1.00 0.00 H +ATOM 1855 CA SER 116 25.080 28.420 42.100 1.00 0.00 C +ATOM 1856 HA SER 116 24.284 29.046 41.722 1.00 0.00 H +ATOM 1857 CB SER 116 24.710 28.240 43.640 1.00 0.00 C +ATOM 1858 HB1 SER 116 23.790 27.620 43.710 1.00 0.00 H +ATOM 1859 HB2 SER 116 25.598 27.890 44.208 1.00 0.00 H +ATOM 1860 OG SER 116 24.330 29.440 44.340 1.00 0.00 O +ATOM 1861 HG1 SER 116 23.534 29.782 43.928 1.00 0.00 H +ATOM 1862 C SER 116 26.340 29.210 42.100 1.00 0.00 C +ATOM 1863 O SER 116 26.340 30.390 41.800 1.00 0.00 O +ATOM 1864 N LEU 117 27.530 28.500 42.230 1.00 0.00 N +ATOM 1865 HN LEU 117 27.570 27.520 42.410 1.00 0.00 H +ATOM 1866 CA LEU 117 28.880 29.100 42.140 1.00 0.00 C +ATOM 1867 HA LEU 117 28.960 30.024 42.692 1.00 0.00 H +ATOM 1868 CB LEU 117 30.110 28.200 42.620 1.00 0.00 C +ATOM 1869 HB1 LEU 117 30.180 27.268 42.018 1.00 0.00 H +ATOM 1870 HB2 LEU 117 31.032 28.810 42.510 1.00 0.00 H +ATOM 1871 CG LEU 117 29.930 27.920 44.170 1.00 0.00 C +ATOM 1872 HG LEU 117 28.932 27.520 44.450 1.00 0.00 H +ATOM 1873 CD1 LEU 117 30.890 26.820 44.620 1.00 0.00 C +ATOM 1874 1HD1 LEU 117 31.896 27.168 44.302 1.00 0.00 H +ATOM 1875 2HD1 LEU 117 30.810 26.770 45.726 1.00 0.00 H +ATOM 1876 3HD1 LEU 117 30.630 25.832 44.182 1.00 0.00 H +ATOM 1877 CD2 LEU 117 30.100 29.190 44.980 1.00 0.00 C +ATOM 1878 1HD2 LEU 117 31.196 29.330 45.080 1.00 0.00 H +ATOM 1879 2HD2 LEU 117 29.590 30.130 44.680 1.00 0.00 H +ATOM 1880 3HD2 LEU 117 29.610 28.910 45.938 1.00 0.00 H +ATOM 1881 C LEU 117 29.160 29.690 40.750 1.00 0.00 C +ATOM 1882 O LEU 117 29.790 30.730 40.710 1.00 0.00 O +ATOM 1883 N HIS 118 28.680 29.080 39.670 1.00 0.00 N +ATOM 1884 HN HIS 118 28.148 28.238 39.710 1.00 0.00 H +ATOM 1885 CA HIS 118 28.720 29.560 38.310 1.00 0.00 C +ATOM 1886 HA HIS 118 29.766 29.730 38.100 1.00 0.00 H +ATOM 1887 CB HIS 118 28.090 28.570 37.310 1.00 0.00 C +ATOM 1888 HB1 HIS 118 28.684 27.664 37.552 1.00 0.00 H +ATOM 1889 HB2 HIS 118 27.004 28.480 37.530 1.00 0.00 H +ATOM 1890 ND1 HIS 118 29.170 28.040 35.030 1.00 0.00 N +ATOM 1891 HD1 HIS 118 29.618 27.212 35.368 1.00 0.00 H +ATOM 1892 CG HIS 118 28.360 28.820 35.860 1.00 0.00 C +ATOM 1893 CE1 HIS 118 29.050 28.410 33.740 1.00 0.00 C +ATOM 1894 HE1 HIS 118 29.828 28.180 33.012 1.00 0.00 H +ATOM 1895 NE2 HIS 118 28.130 29.370 33.670 1.00 0.00 N +ATOM 1896 CD2 HIS 118 27.760 29.650 34.950 1.00 0.00 C +ATOM 1897 HD2 HIS 118 26.998 30.392 35.150 1.00 0.00 H +ATOM 1898 C HIS 118 27.990 30.900 38.140 1.00 0.00 C +ATOM 1899 O HIS 118 28.440 31.850 37.470 1.00 0.00 O +ATOM 1900 N TYR 119 26.750 31.020 38.780 1.00 0.00 N +ATOM 1901 HN TYR 119 26.270 30.260 39.210 1.00 0.00 H +ATOM 1902 CA TYR 119 25.950 32.270 38.730 1.00 0.00 C +ATOM 1903 HA TYR 119 26.030 32.628 37.714 1.00 0.00 H +ATOM 1904 CB TYR 119 24.510 31.960 39.190 1.00 0.00 C +ATOM 1905 HB1 TYR 119 24.600 31.342 40.108 1.00 0.00 H +ATOM 1906 HB2 TYR 119 23.830 32.810 39.410 1.00 0.00 H +ATOM 1907 CG TYR 119 23.740 31.100 38.130 1.00 0.00 C +ATOM 1908 CD1 TYR 119 23.430 31.690 36.920 1.00 0.00 C +ATOM 1909 HD1 TYR 119 23.800 32.668 36.650 1.00 0.00 H +ATOM 1910 CE1 TYR 119 22.680 31.020 35.980 1.00 0.00 C +ATOM 1911 HE1 TYR 119 22.340 31.550 35.102 1.00 0.00 H +ATOM 1912 CZ TYR 119 22.150 29.740 36.270 1.00 0.00 C +ATOM 1913 OH TYR 119 21.320 29.070 35.310 1.00 0.00 O +ATOM 1914 HH TYR 119 21.320 29.582 34.498 1.00 0.00 H +ATOM 1915 CD2 TYR 119 23.300 29.820 38.400 1.00 0.00 C +ATOM 1916 HD2 TYR 119 23.350 29.420 39.402 1.00 0.00 H +ATOM 1917 CE2 TYR 119 22.550 29.090 37.440 1.00 0.00 C +ATOM 1918 HE2 TYR 119 22.192 28.112 37.730 1.00 0.00 H +ATOM 1919 C TYR 119 26.400 33.450 39.520 1.00 0.00 C +ATOM 1920 O TYR 119 26.260 34.590 39.040 1.00 0.00 O +ATOM 1921 N LEU 120 27.010 33.250 40.680 1.00 0.00 N +ATOM 1922 HN LEU 120 26.940 32.362 41.128 1.00 0.00 H +ATOM 1923 CA LEU 120 27.790 34.240 41.350 1.00 0.00 C +ATOM 1924 HA LEU 120 27.328 35.194 41.560 1.00 0.00 H +ATOM 1925 CB LEU 120 28.140 33.610 42.700 1.00 0.00 C +ATOM 1926 HB1 LEU 120 27.268 33.068 43.122 1.00 0.00 H +ATOM 1927 HB2 LEU 120 28.926 32.874 42.422 1.00 0.00 H +ATOM 1928 CG LEU 120 28.890 34.450 43.770 1.00 0.00 C +ATOM 1929 HG LEU 120 29.672 34.982 43.188 1.00 0.00 H +ATOM 1930 CD1 LEU 120 28.010 35.470 44.470 1.00 0.00 C +ATOM 1931 1HD1 LEU 120 27.120 35.070 45.000 1.00 0.00 H +ATOM 1932 2HD1 LEU 120 28.562 36.122 45.182 1.00 0.00 H +ATOM 1933 3HD1 LEU 120 27.600 36.248 43.792 1.00 0.00 H +ATOM 1934 CD2 LEU 120 29.570 33.450 44.750 1.00 0.00 C +ATOM 1935 1HD2 LEU 120 28.746 33.108 45.412 1.00 0.00 H +ATOM 1936 2HD2 LEU 120 29.930 32.510 44.280 1.00 0.00 H +ATOM 1937 3HD2 LEU 120 30.308 33.958 45.408 1.00 0.00 H +ATOM 1938 C LEU 120 29.020 34.630 40.600 1.00 0.00 C +ATOM 1939 O LEU 120 29.390 35.790 40.430 1.00 0.00 O +ATOM 1940 N GLY 121 29.800 33.620 40.170 1.00 0.00 N +ATOM 1941 HN GLY 121 29.428 32.696 40.200 1.00 0.00 H +ATOM 1942 CA GLY 121 31.010 33.890 39.500 1.00 0.00 C +ATOM 1943 HA1 GLY 121 31.780 34.260 40.160 1.00 0.00 H +ATOM 1944 HA2 GLY 121 31.322 32.946 39.078 1.00 0.00 H +ATOM 1945 C GLY 121 30.860 34.910 38.370 1.00 0.00 C +ATOM 1946 O GLY 121 31.660 35.860 38.310 1.00 0.00 O +ATOM 1947 N ASP 122 29.920 34.780 37.430 1.00 0.00 N +ATOM 1948 HN ASP 122 29.278 34.018 37.400 1.00 0.00 H +ATOM 1949 CA ASP 122 29.710 35.660 36.240 1.00 0.00 C +ATOM 1950 HA ASP 122 30.716 35.840 35.892 1.00 0.00 H +ATOM 1951 CB ASP 122 28.550 34.990 35.340 1.00 0.00 C +ATOM 1952 HB1 ASP 122 27.678 34.608 35.912 1.00 0.00 H +ATOM 1953 HB2 ASP 122 28.242 35.784 34.626 1.00 0.00 H +ATOM 1954 CG ASP 122 29.260 33.990 34.440 1.00 0.00 C +ATOM 1955 OD1 ASP 122 30.470 34.050 34.270 1.00 0.00 O +ATOM 1956 OD2 ASP 122 28.530 33.180 33.830 1.00 0.00 O +ATOM 1957 C ASP 122 29.240 37.150 36.560 1.00 0.00 C +ATOM 1958 O ASP 122 29.520 38.080 35.810 1.00 0.00 O +ATOM 1959 N VAL 123 28.810 37.350 37.800 1.00 0.00 N +ATOM 1960 HN VAL 123 28.840 36.562 38.410 1.00 0.00 H +ATOM 1961 CA VAL 123 28.390 38.670 38.230 1.00 0.00 C +ATOM 1962 HA VAL 123 28.092 39.228 37.354 1.00 0.00 H +ATOM 1963 CB VAL 123 27.140 38.840 39.090 1.00 0.00 C +ATOM 1964 HB VAL 123 27.030 39.944 39.150 1.00 0.00 H +ATOM 1965 CG1 VAL 123 25.910 38.390 38.280 1.00 0.00 C +ATOM 1966 1HG1 VAL 123 25.046 38.640 38.932 1.00 0.00 H +ATOM 1967 2HG1 VAL 123 25.950 38.922 37.306 1.00 0.00 H +ATOM 1968 3HG1 VAL 123 25.810 37.290 38.150 1.00 0.00 H +ATOM 1969 CG2 VAL 123 27.260 38.200 40.490 1.00 0.00 C +ATOM 1970 1HG2 VAL 123 26.488 38.520 41.222 1.00 0.00 H +ATOM 1971 2HG2 VAL 123 27.220 37.096 40.370 1.00 0.00 H +ATOM 1972 3HG2 VAL 123 28.270 38.400 40.910 1.00 0.00 H +ATOM 1973 C VAL 123 29.570 39.440 38.670 1.00 0.00 C +ATOM 1974 O VAL 123 29.530 40.600 38.830 1.00 0.00 O +ATOM 1975 N ASN 124 30.770 38.760 38.770 1.00 0.00 N +ATOM 1976 HN ASN 124 30.760 37.766 38.690 1.00 0.00 H +ATOM 1977 CA ASN 124 32.040 39.370 38.870 1.00 0.00 C +ATOM 1978 HA ASN 124 31.890 40.362 39.270 1.00 0.00 H +ATOM 1979 CB ASN 124 33.080 38.580 39.740 1.00 0.00 C +ATOM 1980 HB1 ASN 124 33.390 37.628 39.260 1.00 0.00 H +ATOM 1981 HB2 ASN 124 34.066 39.088 39.800 1.00 0.00 H +ATOM 1982 CG ASN 124 32.480 38.190 41.110 1.00 0.00 C +ATOM 1983 OD1 ASN 124 32.150 36.990 41.330 1.00 0.00 O +ATOM 1984 ND2 ASN 124 32.580 38.990 42.110 1.00 0.00 N +ATOM 1985 1HD2 ASN 124 33.080 39.850 42.010 1.00 0.00 H +ATOM 1986 2HD2 ASN 124 32.500 38.580 43.018 1.00 0.00 H +ATOM 1987 C ASN 124 32.630 39.680 37.380 1.00 0.00 C +ATOM 1988 O ASN 124 33.720 40.260 37.280 1.00 0.00 O +ATOM 1989 N GLN 125 31.940 39.330 36.310 1.00 0.00 N +ATOM 1990 HN GLN 125 31.084 38.832 36.440 1.00 0.00 H +ATOM 1991 CA GLN 125 32.400 39.610 34.970 1.00 0.00 C +ATOM 1992 HA GLN 125 33.466 39.760 35.050 1.00 0.00 H +ATOM 1993 CB GLN 125 32.010 38.360 34.090 1.00 0.00 C +ATOM 1994 HB1 GLN 125 32.060 37.518 34.812 1.00 0.00 H +ATOM 1995 HB2 GLN 125 30.942 38.200 33.830 1.00 0.00 H +ATOM 1996 CG GLN 125 33.030 38.000 32.950 1.00 0.00 C +ATOM 1997 HG1 GLN 125 34.078 37.850 33.290 1.00 0.00 H +ATOM 1998 HG2 GLN 125 32.810 37.022 32.470 1.00 0.00 H +ATOM 1999 CD GLN 125 33.130 39.080 31.880 1.00 0.00 C +ATOM 2000 OE1 GLN 125 32.420 40.090 31.810 1.00 0.00 O +ATOM 2001 NE2 GLN 125 34.000 38.810 30.910 1.00 0.00 N +ATOM 2002 1HE2 GLN 125 34.596 38.014 31.020 1.00 0.00 H +ATOM 2003 2HE2 GLN 125 33.550 38.880 30.020 1.00 0.00 H +ATOM 2004 C GLN 125 31.600 40.810 34.550 1.00 0.00 C +ATOM 2005 O GLN 125 30.340 40.740 34.530 1.00 0.00 O +ATOM 2006 N PRO 126 32.190 41.960 34.190 1.00 0.00 N +ATOM 2007 CD PRO 126 33.600 42.190 34.360 1.00 0.00 C +ATOM 2008 HD1 PRO 126 34.084 41.898 33.404 1.00 0.00 H +ATOM 2009 HD2 PRO 126 34.038 41.622 35.208 1.00 0.00 H +ATOM 2010 CA PRO 126 31.410 43.220 34.040 1.00 0.00 C +ATOM 2011 HA PRO 126 30.678 43.280 34.832 1.00 0.00 H +ATOM 2012 CB PRO 126 32.490 44.310 33.910 1.00 0.00 C +ATOM 2013 HB1 PRO 126 32.828 44.380 32.854 1.00 0.00 H +ATOM 2014 HB2 PRO 126 32.130 45.250 34.380 1.00 0.00 H +ATOM 2015 CG PRO 126 33.600 43.710 34.720 1.00 0.00 C +ATOM 2016 HG1 PRO 126 34.570 44.190 34.470 1.00 0.00 H +ATOM 2017 HG2 PRO 126 33.440 43.890 35.804 1.00 0.00 H +ATOM 2018 C PRO 126 30.570 43.200 32.770 1.00 0.00 C +ATOM 2019 O PRO 126 29.490 43.880 32.810 1.00 0.00 O +ATOM 2020 N MET 127 30.930 42.520 31.680 1.00 0.00 N +ATOM 2021 HN MET 127 31.722 41.918 31.740 1.00 0.00 H +ATOM 2022 CA MET 127 30.100 42.420 30.510 1.00 0.00 C +ATOM 2023 HA MET 127 29.980 43.458 30.240 1.00 0.00 H +ATOM 2024 CB MET 127 30.750 41.600 29.420 1.00 0.00 C +ATOM 2025 HB1 MET 127 30.960 40.572 29.788 1.00 0.00 H +ATOM 2026 HB2 MET 127 30.042 41.430 28.582 1.00 0.00 H +ATOM 2027 CG MET 127 32.040 42.150 28.880 1.00 0.00 C +ATOM 2028 HG1 MET 127 31.762 43.064 28.314 1.00 0.00 H +ATOM 2029 HG2 MET 127 32.742 42.370 29.712 1.00 0.00 H +ATOM 2030 SD MET 127 32.800 40.910 27.820 1.00 0.00 S +ATOM 2031 CE MET 127 34.040 42.030 27.050 1.00 0.00 C +ATOM 2032 HE1 MET 127 34.180 41.750 25.984 1.00 0.00 H +ATOM 2033 HE2 MET 127 33.668 43.076 27.080 1.00 0.00 H +ATOM 2034 HE3 MET 127 35.068 41.980 27.470 1.00 0.00 H +ATOM 2035 C MET 127 28.750 41.740 30.820 1.00 0.00 C +ATOM 2036 O MET 127 27.740 42.230 30.410 1.00 0.00 O +ATOM 2037 N HIS 128 28.850 40.650 31.630 1.00 0.00 N +ATOM 2038 HN HIS 128 29.698 40.246 31.964 1.00 0.00 H +ATOM 2039 CA HIS 128 27.690 40.070 32.250 1.00 0.00 C +ATOM 2040 HA HIS 128 27.062 39.772 31.424 1.00 0.00 H +ATOM 2041 CB HIS 128 28.030 38.780 33.040 1.00 0.00 C +ATOM 2042 HB1 HIS 128 28.840 39.020 33.760 1.00 0.00 H +ATOM 2043 HB2 HIS 128 27.176 38.482 33.686 1.00 0.00 H +ATOM 2044 ND1 HIS 128 27.930 36.460 32.000 1.00 0.00 N +ATOM 2045 HD1 HIS 128 27.008 36.280 32.340 1.00 0.00 H +ATOM 2046 CG HIS 128 28.610 37.650 32.150 1.00 0.00 C +ATOM 2047 CE1 HIS 128 28.740 35.620 31.400 1.00 0.00 C +ATOM 2048 HE1 HIS 128 28.520 34.560 31.270 1.00 0.00 H +ATOM 2049 NE2 HIS 128 29.910 36.170 31.080 1.00 0.00 N +ATOM 2050 CD2 HIS 128 29.810 37.480 31.480 1.00 0.00 C +ATOM 2051 HD2 HIS 128 30.610 38.200 31.350 1.00 0.00 H +ATOM 2052 C HIS 128 26.860 41.060 33.120 1.00 0.00 C +ATOM 2053 O HIS 128 25.650 41.170 33.080 1.00 0.00 O +ATOM 2054 N ALA 129 27.550 41.830 33.980 1.00 0.00 N +ATOM 2055 HN ALA 129 28.548 41.840 33.970 1.00 0.00 H +ATOM 2056 CA ALA 129 26.940 42.700 34.970 1.00 0.00 C +ATOM 2057 HA ALA 129 26.090 42.240 35.450 1.00 0.00 H +ATOM 2058 CB ALA 129 28.030 43.110 36.020 1.00 0.00 C +ATOM 2059 HB1 ALA 129 27.600 43.740 36.828 1.00 0.00 H +ATOM 2060 HB2 ALA 129 28.558 42.282 36.538 1.00 0.00 H +ATOM 2061 HB3 ALA 129 28.838 43.728 35.572 1.00 0.00 H +ATOM 2062 C ALA 129 26.330 43.960 34.420 1.00 0.00 C +ATOM 2063 O ALA 129 25.450 44.560 35.040 1.00 0.00 O +ATOM 2064 N ALA 130 26.750 44.330 33.160 1.00 0.00 N +ATOM 2065 HN ALA 130 27.536 43.852 32.772 1.00 0.00 H +ATOM 2066 CA ALA 130 26.210 45.430 32.430 1.00 0.00 C +ATOM 2067 HA ALA 130 25.500 45.830 33.140 1.00 0.00 H +ATOM 2068 CB ALA 130 27.200 46.550 32.080 1.00 0.00 C +ATOM 2069 HB1 ALA 130 26.692 47.538 32.080 1.00 0.00 H +ATOM 2070 HB2 ALA 130 28.000 46.680 32.840 1.00 0.00 H +ATOM 2071 HB3 ALA 130 27.630 46.390 31.068 1.00 0.00 H +ATOM 2072 C ALA 130 25.360 45.010 31.230 1.00 0.00 C +ATOM 2073 O ALA 130 24.840 45.890 30.530 1.00 0.00 O +ATOM 2074 N ASN 131 25.200 43.620 31.070 1.00 0.00 N +ATOM 2075 HN ASN 131 25.842 42.998 31.512 1.00 0.00 H +ATOM 2076 CA ASN 131 24.360 43.090 29.990 1.00 0.00 C +ATOM 2077 HA ASN 131 24.220 42.028 30.120 1.00 0.00 H +ATOM 2078 CB ASN 131 22.900 43.570 30.090 1.00 0.00 C +ATOM 2079 HB1 ASN 131 22.860 44.680 30.080 1.00 0.00 H +ATOM 2080 HB2 ASN 131 22.146 43.282 29.326 1.00 0.00 H +ATOM 2081 CG ASN 131 22.160 43.220 31.400 1.00 0.00 C +ATOM 2082 OD1 ASN 131 21.030 43.620 31.580 1.00 0.00 O +ATOM 2083 ND2 ASN 131 22.800 42.520 32.360 1.00 0.00 N +ATOM 2084 1HD2 ASN 131 23.702 42.118 32.210 1.00 0.00 H +ATOM 2085 2HD2 ASN 131 22.384 42.410 33.264 1.00 0.00 H +ATOM 2086 C ASN 131 24.890 43.200 28.540 1.00 0.00 C +ATOM 2087 O ASN 131 24.120 43.070 27.610 1.00 0.00 O +ATOM 2088 N PHE 132 26.260 43.300 28.370 1.00 0.00 N +ATOM 2089 HN PHE 132 26.838 43.508 29.156 1.00 0.00 H +ATOM 2090 CA PHE 132 27.040 43.320 27.180 1.00 0.00 C +ATOM 2091 HA PHE 132 26.530 43.920 26.440 1.00 0.00 H +ATOM 2092 CB PHE 132 28.400 44.060 27.370 1.00 0.00 C +ATOM 2093 HB1 PHE 132 28.220 45.094 27.732 1.00 0.00 H +ATOM 2094 HB2 PHE 132 28.960 43.600 28.212 1.00 0.00 H +ATOM 2095 CG PHE 132 29.250 44.080 26.130 1.00 0.00 C +ATOM 2096 CD1 PHE 132 30.070 43.080 25.780 1.00 0.00 C +ATOM 2097 HD1 PHE 132 30.090 42.122 26.278 1.00 0.00 H +ATOM 2098 CE1 PHE 132 30.980 43.280 24.700 1.00 0.00 C +ATOM 2099 HE1 PHE 132 31.642 42.468 24.440 1.00 0.00 H +ATOM 2100 CZ PHE 132 30.930 44.440 23.950 1.00 0.00 C +ATOM 2101 HZ PHE 132 31.694 44.682 23.226 1.00 0.00 H +ATOM 2102 CD2 PHE 132 29.160 45.250 25.360 1.00 0.00 C +ATOM 2103 HD2 PHE 132 28.506 46.054 25.662 1.00 0.00 H +ATOM 2104 CE2 PHE 132 29.950 45.440 24.270 1.00 0.00 C +ATOM 2105 HE2 PHE 132 29.890 46.394 23.768 1.00 0.00 H +ATOM 2106 C PHE 132 27.200 41.870 26.670 1.00 0.00 C +ATOM 2107 O PHE 132 27.860 41.080 27.360 1.00 0.00 O +ATOM 2108 N THR 133 26.650 41.570 25.470 1.00 0.00 N +ATOM 2109 HN THR 133 26.118 42.222 24.938 1.00 0.00 H +ATOM 2110 CA THR 133 26.720 40.140 24.960 1.00 0.00 C +ATOM 2111 HA THR 133 27.228 39.522 25.686 1.00 0.00 H +ATOM 2112 CB THR 133 25.310 39.600 24.640 1.00 0.00 C +ATOM 2113 HB THR 133 25.360 38.490 24.630 1.00 0.00 H +ATOM 2114 OG1 THR 133 24.770 40.080 23.410 1.00 0.00 O +ATOM 2115 HG1 THR 133 24.142 39.372 23.240 1.00 0.00 H +ATOM 2116 CG2 THR 133 24.330 40.040 25.780 1.00 0.00 C +ATOM 2117 1HG2 THR 133 24.240 41.134 25.610 1.00 0.00 H +ATOM 2118 2HG2 THR 133 23.362 39.502 25.690 1.00 0.00 H +ATOM 2119 3HG2 THR 133 24.802 39.758 26.744 1.00 0.00 H +ATOM 2120 C THR 133 27.680 40.010 23.820 1.00 0.00 C +ATOM 2121 O THR 133 28.360 40.870 23.320 1.00 0.00 O +ATOM 2122 N ASN 134 27.850 38.770 23.320 1.00 0.00 N +ATOM 2123 HN ASN 134 27.358 38.036 23.782 1.00 0.00 H +ATOM 2124 CA ASN 134 28.490 38.410 22.110 1.00 0.00 C +ATOM 2125 HA ASN 134 29.526 38.718 22.110 1.00 0.00 H +ATOM 2126 CB ASN 134 28.550 36.860 22.060 1.00 0.00 C +ATOM 2127 HB1 ASN 134 28.760 36.368 23.034 1.00 0.00 H +ATOM 2128 HB2 ASN 134 27.494 36.592 21.840 1.00 0.00 H +ATOM 2129 CG ASN 134 29.470 36.280 21.030 1.00 0.00 C +ATOM 2130 OD1 ASN 134 29.420 36.560 19.820 1.00 0.00 O +ATOM 2131 ND2 ASN 134 30.440 35.480 21.500 1.00 0.00 N +ATOM 2132 1HD2 ASN 134 30.370 35.070 22.410 1.00 0.00 H +ATOM 2133 2HD2 ASN 134 31.070 35.090 20.830 1.00 0.00 H +ATOM 2134 C ASN 134 27.860 39.120 20.860 1.00 0.00 C +ATOM 2135 O ASN 134 28.510 39.650 19.970 1.00 0.00 O +ATOM 2136 N LEU 135 26.580 39.380 20.920 1.00 0.00 N +ATOM 2137 HN LEU 135 26.100 39.220 21.780 1.00 0.00 H +ATOM 2138 CA LEU 135 25.780 40.050 19.950 1.00 0.00 C +ATOM 2139 HA LEU 135 26.390 39.990 19.060 1.00 0.00 H +ATOM 2140 CB LEU 135 24.350 39.470 19.750 1.00 0.00 C +ATOM 2141 HB1 LEU 135 23.770 39.570 20.692 1.00 0.00 H +ATOM 2142 HB2 LEU 135 23.790 40.220 19.150 1.00 0.00 H +ATOM 2143 CG LEU 135 24.340 38.060 19.230 1.00 0.00 C +ATOM 2144 HG LEU 135 25.030 37.430 19.830 1.00 0.00 H +ATOM 2145 CD1 LEU 135 22.950 37.590 19.310 1.00 0.00 C +ATOM 2146 1HD1 LEU 135 22.830 36.546 18.948 1.00 0.00 H +ATOM 2147 2HD1 LEU 135 22.638 37.630 20.376 1.00 0.00 H +ATOM 2148 3HD1 LEU 135 22.184 38.198 18.782 1.00 0.00 H +ATOM 2149 CD2 LEU 135 24.880 38.050 17.800 1.00 0.00 C +ATOM 2150 1HD2 LEU 135 25.130 37.010 17.500 1.00 0.00 H +ATOM 2151 2HD2 LEU 135 24.120 38.380 17.060 1.00 0.00 H +ATOM 2152 3HD2 LEU 135 25.710 38.760 17.600 1.00 0.00 H +ATOM 2153 C LEU 135 25.790 41.630 20.110 1.00 0.00 C +ATOM 2154 O LEU 135 25.520 42.280 19.080 1.00 0.00 O +ATOM 2155 N SER 136 26.150 42.210 21.270 1.00 0.00 N +ATOM 2156 HN SER 136 26.310 41.662 22.088 1.00 0.00 H +ATOM 2157 CA SER 136 26.510 43.570 21.480 1.00 0.00 C +ATOM 2158 HA SER 136 25.698 44.152 21.070 1.00 0.00 H +ATOM 2159 CB SER 136 26.750 43.930 22.940 1.00 0.00 C +ATOM 2160 HB1 SER 136 27.606 43.342 23.338 1.00 0.00 H +ATOM 2161 HB2 SER 136 27.010 45.010 22.960 1.00 0.00 H +ATOM 2162 OG SER 136 25.600 43.720 23.760 1.00 0.00 O +ATOM 2163 HG1 SER 136 24.860 44.240 23.440 1.00 0.00 H +ATOM 2164 C SER 136 27.730 44.110 20.670 1.00 0.00 C +ATOM 2165 O SER 136 28.670 43.390 20.370 1.00 0.00 O +ATOM 2166 N TYR 137 27.800 45.370 20.290 1.00 0.00 N +ATOM 2167 HN TYR 137 27.202 45.948 20.838 1.00 0.00 H +ATOM 2168 CA TYR 137 28.850 45.910 19.520 1.00 0.00 C +ATOM 2169 HA TYR 137 29.120 45.170 18.780 1.00 0.00 H +ATOM 2170 CB TYR 137 28.370 47.280 18.840 1.00 0.00 C +ATOM 2171 HB1 TYR 137 27.512 47.000 18.192 1.00 0.00 H +ATOM 2172 HB2 TYR 137 27.980 47.892 19.682 1.00 0.00 H +ATOM 2173 CG TYR 137 29.410 48.100 18.060 1.00 0.00 C +ATOM 2174 CD1 TYR 137 29.340 47.990 16.680 1.00 0.00 C +ATOM 2175 HD1 TYR 137 28.572 47.342 16.282 1.00 0.00 H +ATOM 2176 CE1 TYR 137 30.360 48.490 15.880 1.00 0.00 C +ATOM 2177 HE1 TYR 137 30.350 48.370 14.808 1.00 0.00 H +ATOM 2178 CZ TYR 137 31.310 49.320 16.440 1.00 0.00 C +ATOM 2179 OH TYR 137 32.330 49.830 15.600 1.00 0.00 O +ATOM 2180 HH TYR 137 32.958 50.358 16.098 1.00 0.00 H +ATOM 2181 CD2 TYR 137 30.360 49.020 18.630 1.00 0.00 C +ATOM 2182 HD2 TYR 137 30.350 49.160 19.700 1.00 0.00 H +ATOM 2183 CE2 TYR 137 31.320 49.610 17.840 1.00 0.00 C +ATOM 2184 HE2 TYR 137 31.958 50.358 18.288 1.00 0.00 H +ATOM 2185 C TYR 137 30.110 46.170 20.240 1.00 0.00 C +ATOM 2186 O TYR 137 30.100 46.690 21.350 1.00 0.00 O +ATOM 2187 N PRO 138 31.340 45.950 19.690 1.00 0.00 N +ATOM 2188 CD PRO 138 32.510 46.430 20.400 1.00 0.00 C +ATOM 2189 HD1 PRO 138 32.480 46.022 21.434 1.00 0.00 H +ATOM 2190 HD2 PRO 138 32.490 47.540 20.400 1.00 0.00 H +ATOM 2191 CA PRO 138 31.700 45.120 18.470 1.00 0.00 C +ATOM 2192 HA PRO 138 31.110 45.460 17.630 1.00 0.00 H +ATOM 2193 CB PRO 138 33.110 45.620 18.240 1.00 0.00 C +ATOM 2194 HB1 PRO 138 33.720 44.940 17.610 1.00 0.00 H +ATOM 2195 HB2 PRO 138 33.100 46.560 17.650 1.00 0.00 H +ATOM 2196 CG PRO 138 33.770 45.890 19.580 1.00 0.00 C +ATOM 2197 HG1 PRO 138 34.162 44.906 19.912 1.00 0.00 H +ATOM 2198 HG2 PRO 138 34.568 46.658 19.480 1.00 0.00 H +ATOM 2199 C PRO 138 31.500 43.640 18.720 1.00 0.00 C +ATOM 2200 O PRO 138 31.990 43.090 19.720 1.00 0.00 O +ATOM 2201 N GLN 139 30.590 43.000 17.960 1.00 0.00 N +ATOM 2202 HN GLN 139 29.984 43.566 17.404 1.00 0.00 H +ATOM 2203 CA GLN 139 30.240 41.640 18.120 1.00 0.00 C +ATOM 2204 HA GLN 139 29.742 41.620 19.078 1.00 0.00 H +ATOM 2205 CB GLN 139 29.090 41.110 17.080 1.00 0.00 C +ATOM 2206 HB1 GLN 139 28.542 40.254 17.528 1.00 0.00 H +ATOM 2207 HB2 GLN 139 28.378 41.952 17.220 1.00 0.00 H +ATOM 2208 CG GLN 139 29.510 41.050 15.540 1.00 0.00 C +ATOM 2209 HG1 GLN 139 28.630 41.370 14.940 1.00 0.00 H +ATOM 2210 HG2 GLN 139 30.434 41.652 15.410 1.00 0.00 H +ATOM 2211 CD GLN 139 29.820 39.550 15.320 1.00 0.00 C +ATOM 2212 OE1 GLN 139 28.980 38.630 15.470 1.00 0.00 O +ATOM 2213 NE2 GLN 139 31.000 39.240 14.750 1.00 0.00 N +ATOM 2214 1HE2 GLN 139 31.620 39.960 14.440 1.00 0.00 H +ATOM 2215 2HE2 GLN 139 31.280 38.280 14.750 1.00 0.00 H +ATOM 2216 C GLN 139 31.390 40.590 18.160 1.00 0.00 C +ATOM 2217 O GLN 139 32.360 40.620 17.410 1.00 0.00 O +ATOM 2218 N GLY 140 31.360 39.660 19.120 1.00 0.00 N +ATOM 2219 HN GLY 140 30.550 39.680 19.700 1.00 0.00 H +ATOM 2220 CA GLY 140 32.310 38.640 19.270 1.00 0.00 C +ATOM 2221 HA1 GLY 140 31.888 37.918 19.952 1.00 0.00 H +ATOM 2222 HA2 GLY 140 32.480 38.270 18.270 1.00 0.00 H +ATOM 2223 C GLY 140 33.560 39.090 20.030 1.00 0.00 C +ATOM 2224 O GLY 140 34.530 38.440 20.260 1.00 0.00 O +ATOM 2225 N PHE 141 33.580 40.340 20.640 1.00 0.00 N +ATOM 2226 HN PHE 141 32.930 41.010 20.290 1.00 0.00 H +ATOM 2227 CA PHE 141 34.550 40.830 21.590 1.00 0.00 C +ATOM 2228 HA PHE 141 35.536 40.690 21.172 1.00 0.00 H +ATOM 2229 CB PHE 141 34.350 42.410 21.970 1.00 0.00 C +ATOM 2230 HB1 PHE 141 34.490 42.978 21.024 1.00 0.00 H +ATOM 2231 HB2 PHE 141 33.346 42.560 22.422 1.00 0.00 H +ATOM 2232 CG PHE 141 35.350 42.910 23.000 1.00 0.00 C +ATOM 2233 CD1 PHE 141 36.740 42.630 23.010 1.00 0.00 C +ATOM 2234 HD1 PHE 141 37.140 41.850 22.380 1.00 0.00 H +ATOM 2235 CE1 PHE 141 37.580 43.140 23.960 1.00 0.00 C +ATOM 2236 HE1 PHE 141 38.548 42.692 24.130 1.00 0.00 H +ATOM 2237 CZ PHE 141 37.120 44.130 24.900 1.00 0.00 C +ATOM 2238 HZ PHE 141 37.792 44.582 25.614 1.00 0.00 H +ATOM 2239 CD2 PHE 141 34.890 43.920 23.920 1.00 0.00 C +ATOM 2240 HD2 PHE 141 33.842 44.180 23.940 1.00 0.00 H +ATOM 2241 CE2 PHE 141 35.760 44.440 24.830 1.00 0.00 C +ATOM 2242 HE2 PHE 141 35.400 45.208 25.498 1.00 0.00 H +ATOM 2243 C PHE 141 34.490 40.010 22.860 1.00 0.00 C +ATOM 2244 O PHE 141 35.570 39.620 23.340 1.00 0.00 O +ATOM 2245 N HIS 142 33.220 39.750 23.340 1.00 0.00 N +ATOM 2246 HN HIS 142 32.508 40.150 22.768 1.00 0.00 H +ATOM 2247 CA HIS 142 32.830 39.100 24.520 1.00 0.00 C +ATOM 2248 HA HIS 142 33.286 39.686 25.304 1.00 0.00 H +ATOM 2249 CB HIS 142 31.340 39.090 24.680 1.00 0.00 C +ATOM 2250 HB1 HIS 142 30.980 40.140 24.630 1.00 0.00 H +ATOM 2251 HB2 HIS 142 30.862 38.564 23.826 1.00 0.00 H +ATOM 2252 ND1 HIS 142 29.890 38.930 26.820 1.00 0.00 N +ATOM 2253 HD1 HIS 142 29.840 39.920 26.950 1.00 0.00 H +ATOM 2254 CG HIS 142 30.560 38.320 25.820 1.00 0.00 C +ATOM 2255 CE1 HIS 142 29.280 37.990 27.530 1.00 0.00 C +ATOM 2256 HE1 HIS 142 28.614 38.178 28.374 1.00 0.00 H +ATOM 2257 NE2 HIS 142 29.470 36.730 27.040 1.00 0.00 N +ATOM 2258 CD2 HIS 142 30.260 36.960 25.910 1.00 0.00 C +ATOM 2259 HD2 HIS 142 30.562 36.196 25.206 1.00 0.00 H +ATOM 2260 C HIS 142 33.480 37.710 24.620 1.00 0.00 C +ATOM 2261 O HIS 142 34.040 37.440 25.680 1.00 0.00 O +ATOM 2262 N SER 143 33.570 36.820 23.570 1.00 0.00 N +ATOM 2263 HN SER 143 33.142 37.038 22.696 1.00 0.00 H +ATOM 2264 CA SER 143 34.230 35.550 23.670 1.00 0.00 C +ATOM 2265 HA SER 143 33.980 35.190 24.658 1.00 0.00 H +ATOM 2266 CB SER 143 33.670 34.500 22.690 1.00 0.00 C +ATOM 2267 HB1 SER 143 34.328 33.604 22.660 1.00 0.00 H +ATOM 2268 HB2 SER 143 32.662 34.248 23.082 1.00 0.00 H +ATOM 2269 OG SER 143 33.470 35.050 21.420 1.00 0.00 O +ATOM 2270 HG1 SER 143 33.108 34.324 20.906 1.00 0.00 H +ATOM 2271 C SER 143 35.680 35.600 23.460 1.00 0.00 C +ATOM 2272 O SER 143 36.430 34.850 24.020 1.00 0.00 O +ATOM 2273 N LYS 144 36.180 36.500 22.580 1.00 0.00 N +ATOM 2274 HN LYS 144 35.548 37.162 22.188 1.00 0.00 H +ATOM 2275 CA LYS 144 37.600 36.660 22.440 1.00 0.00 C +ATOM 2276 HA LYS 144 37.970 35.662 22.260 1.00 0.00 H +ATOM 2277 CB LYS 144 38.040 37.490 21.190 1.00 0.00 C +ATOM 2278 HB1 LYS 144 37.642 38.526 21.260 1.00 0.00 H +ATOM 2279 HB2 LYS 144 39.150 37.520 21.210 1.00 0.00 H +ATOM 2280 CG LYS 144 37.550 36.810 19.940 1.00 0.00 C +ATOM 2281 HG1 LYS 144 37.762 35.722 20.010 1.00 0.00 H +ATOM 2282 HG2 LYS 144 36.442 36.850 19.870 1.00 0.00 H +ATOM 2283 CD LYS 144 38.130 37.380 18.660 1.00 0.00 C +ATOM 2284 HD1 LYS 144 37.980 38.458 18.440 1.00 0.00 H +ATOM 2285 HD2 LYS 144 39.234 37.270 18.680 1.00 0.00 H +ATOM 2286 CE LYS 144 37.670 36.670 17.300 1.00 0.00 C +ATOM 2287 HE1 LYS 144 37.980 37.222 16.388 1.00 0.00 H +ATOM 2288 HE2 LYS 144 38.170 35.678 17.280 1.00 0.00 H +ATOM 2289 NZ LYS 144 36.230 36.450 17.050 1.00 0.00 N +ATOM 2290 HZ1 LYS 144 35.640 37.300 16.950 1.00 0.00 H +ATOM 2291 HZ2 LYS 144 36.072 35.834 16.226 1.00 0.00 H +ATOM 2292 HZ3 LYS 144 35.808 36.018 17.896 1.00 0.00 H +ATOM 2293 C LYS 144 38.310 37.100 23.700 1.00 0.00 C +ATOM 2294 O LYS 144 39.420 36.590 23.980 1.00 0.00 O +ATOM 2295 N TYR 145 37.560 37.970 24.520 1.00 0.00 N +ATOM 2296 HN TYR 145 36.666 38.252 24.178 1.00 0.00 H +ATOM 2297 CA TYR 145 37.950 38.310 25.840 1.00 0.00 C +ATOM 2298 HA TYR 145 38.970 38.660 25.780 1.00 0.00 H +ATOM 2299 CB TYR 145 37.140 39.550 26.230 1.00 0.00 C +ATOM 2300 HB1 TYR 145 37.360 40.392 25.538 1.00 0.00 H +ATOM 2301 HB2 TYR 145 36.058 39.440 26.000 1.00 0.00 H +ATOM 2302 CG TYR 145 37.340 40.040 27.610 1.00 0.00 C +ATOM 2303 CD1 TYR 145 38.280 40.970 27.980 1.00 0.00 C +ATOM 2304 HD1 TYR 145 38.850 41.360 27.150 1.00 0.00 H +ATOM 2305 CE1 TYR 145 38.530 41.350 29.360 1.00 0.00 C +ATOM 2306 HE1 TYR 145 39.120 42.230 29.570 1.00 0.00 H +ATOM 2307 CZ TYR 145 37.830 40.680 30.380 1.00 0.00 C +ATOM 2308 OH TYR 145 37.940 40.960 31.730 1.00 0.00 O +ATOM 2309 HH TYR 145 38.824 41.298 31.890 1.00 0.00 H +ATOM 2310 CD2 TYR 145 36.680 39.410 28.750 1.00 0.00 C +ATOM 2311 HD2 TYR 145 35.956 38.646 28.508 1.00 0.00 H +ATOM 2312 CE2 TYR 145 36.930 39.680 30.060 1.00 0.00 C +ATOM 2313 HE2 TYR 145 36.410 39.130 30.830 1.00 0.00 H +ATOM 2314 C TYR 145 37.980 37.140 26.840 1.00 0.00 C +ATOM 2315 O TYR 145 38.980 36.970 27.600 1.00 0.00 O +ATOM 2316 N GLU 146 36.980 36.250 26.870 1.00 0.00 N +ATOM 2317 HN GLU 146 36.216 36.400 26.248 1.00 0.00 H +ATOM 2318 CA GLU 146 36.970 35.120 27.840 1.00 0.00 C +ATOM 2319 HA GLU 146 37.170 35.570 28.800 1.00 0.00 H +ATOM 2320 CB GLU 146 35.590 34.380 27.730 1.00 0.00 C +ATOM 2321 HB1 GLU 146 35.500 33.926 26.720 1.00 0.00 H +ATOM 2322 HB2 GLU 146 35.570 33.600 28.520 1.00 0.00 H +ATOM 2323 CG GLU 146 34.390 35.370 28.030 1.00 0.00 C +ATOM 2324 HG1 GLU 146 34.820 36.380 28.200 1.00 0.00 H +ATOM 2325 HG2 GLU 146 33.780 35.590 27.128 1.00 0.00 H +ATOM 2326 CD GLU 146 33.430 34.820 28.990 1.00 0.00 C +ATOM 2327 OE1 GLU 146 32.890 33.700 28.790 1.00 0.00 O +ATOM 2328 OE2 GLU 146 33.280 35.440 30.110 1.00 0.00 O +ATOM 2329 C GLU 146 38.060 34.110 27.530 1.00 0.00 C +ATOM 2330 O GLU 146 38.820 33.680 28.420 1.00 0.00 O +ATOM 2331 N ASN 147 38.260 33.820 26.210 1.00 0.00 N +ATOM 2332 HN ASN 147 37.566 34.032 25.526 1.00 0.00 H +ATOM 2333 CA ASN 147 39.360 32.950 25.760 1.00 0.00 C +ATOM 2334 HA ASN 147 39.290 32.056 26.362 1.00 0.00 H +ATOM 2335 CB ASN 147 39.370 32.720 24.230 1.00 0.00 C +ATOM 2336 HB1 ASN 147 39.700 33.670 23.760 1.00 0.00 H +ATOM 2337 HB2 ASN 147 40.126 31.944 23.988 1.00 0.00 H +ATOM 2338 CG ASN 147 38.040 32.240 23.730 1.00 0.00 C +ATOM 2339 OD1 ASN 147 37.600 32.640 22.660 1.00 0.00 O +ATOM 2340 ND2 ASN 147 37.280 31.440 24.550 1.00 0.00 N +ATOM 2341 1HD2 ASN 147 37.682 31.058 25.382 1.00 0.00 H +ATOM 2342 2HD2 ASN 147 36.344 31.222 24.272 1.00 0.00 H +ATOM 2343 C ASN 147 40.710 33.540 26.230 1.00 0.00 C +ATOM 2344 O ASN 147 41.660 32.820 26.560 1.00 0.00 O +ATOM 2345 N PHE 148 40.910 34.890 26.080 1.00 0.00 N +ATOM 2346 HN PHE 148 40.168 35.462 25.740 1.00 0.00 H +ATOM 2347 CA PHE 148 42.080 35.660 26.500 1.00 0.00 C +ATOM 2348 HA PHE 148 42.960 35.180 26.100 1.00 0.00 H +ATOM 2349 CB PHE 148 42.030 37.090 25.950 1.00 0.00 C +ATOM 2350 HB1 PHE 148 42.120 37.040 24.844 1.00 0.00 H +ATOM 2351 HB2 PHE 148 41.056 37.562 26.200 1.00 0.00 H +ATOM 2352 CG PHE 148 43.070 38.000 26.480 1.00 0.00 C +ATOM 2353 CD1 PHE 148 44.500 37.750 26.350 1.00 0.00 C +ATOM 2354 HD1 PHE 148 44.768 36.774 25.972 1.00 0.00 H +ATOM 2355 CE1 PHE 148 45.420 38.580 26.890 1.00 0.00 C +ATOM 2356 HE1 PHE 148 46.456 38.278 26.870 1.00 0.00 H +ATOM 2357 CZ PHE 148 44.950 39.730 27.510 1.00 0.00 C +ATOM 2358 HZ PHE 148 45.688 40.378 27.958 1.00 0.00 H +ATOM 2359 CD2 PHE 148 42.670 39.160 27.120 1.00 0.00 C +ATOM 2360 HD2 PHE 148 41.604 39.310 27.220 1.00 0.00 H +ATOM 2361 CE2 PHE 148 43.620 40.080 27.490 1.00 0.00 C +ATOM 2362 HE2 PHE 148 43.330 41.048 27.870 1.00 0.00 H +ATOM 2363 C PHE 148 42.310 35.620 28.070 1.00 0.00 C +ATOM 2364 O PHE 148 43.470 35.360 28.430 1.00 0.00 O +ATOM 2365 N VAL 149 41.250 35.780 28.910 1.00 0.00 N +ATOM 2366 HN VAL 149 40.304 35.800 28.592 1.00 0.00 H +ATOM 2367 CA VAL 149 41.390 35.600 30.370 1.00 0.00 C +ATOM 2368 HA VAL 149 41.980 36.360 30.860 1.00 0.00 H +ATOM 2369 CB VAL 149 39.970 35.580 31.140 1.00 0.00 C +ATOM 2370 HB VAL 149 39.410 34.760 30.640 1.00 0.00 H +ATOM 2371 CG1 VAL 149 40.120 35.170 32.600 1.00 0.00 C +ATOM 2372 1HG1 VAL 149 39.178 35.250 33.182 1.00 0.00 H +ATOM 2373 2HG1 VAL 149 40.500 34.130 32.690 1.00 0.00 H +ATOM 2374 3HG1 VAL 149 40.852 35.782 33.170 1.00 0.00 H +ATOM 2375 CG2 VAL 149 39.330 36.960 31.030 1.00 0.00 C +ATOM 2376 1HG2 VAL 149 38.294 36.920 31.428 1.00 0.00 H +ATOM 2377 2HG2 VAL 149 39.778 37.886 31.448 1.00 0.00 H +ATOM 2378 3HG2 VAL 149 39.102 37.180 29.964 1.00 0.00 H +ATOM 2379 C VAL 149 42.100 34.300 30.720 1.00 0.00 C +ATOM 2380 O VAL 149 42.950 34.270 31.580 1.00 0.00 O +ATOM 2381 N ASP 150 41.690 33.120 30.160 1.00 0.00 N +ATOM 2382 HN ASP 150 40.914 33.160 29.534 1.00 0.00 H +ATOM 2383 CA ASP 150 42.370 31.790 30.290 1.00 0.00 C +ATOM 2384 HA ASP 150 42.238 31.568 31.338 1.00 0.00 H +ATOM 2385 CB ASP 150 41.720 30.760 29.460 1.00 0.00 C +ATOM 2386 HB1 ASP 150 41.640 31.090 28.402 1.00 0.00 H +ATOM 2387 HB2 ASP 150 42.250 29.800 29.630 1.00 0.00 H +ATOM 2388 CG ASP 150 40.250 30.530 29.840 1.00 0.00 C +ATOM 2389 OD1 ASP 150 40.050 30.550 31.070 1.00 0.00 O +ATOM 2390 OD2 ASP 150 39.510 30.090 28.940 1.00 0.00 O +ATOM 2391 C ASP 150 43.900 31.820 30.110 1.00 0.00 C +ATOM 2392 O ASP 150 44.670 31.150 30.820 1.00 0.00 O +ATOM 2393 N THR 151 44.380 32.700 29.130 1.00 0.00 N +ATOM 2394 HN THR 151 43.842 33.318 28.562 1.00 0.00 H +ATOM 2395 CA THR 151 45.800 32.590 28.900 1.00 0.00 C +ATOM 2396 HA THR 151 46.130 31.582 29.110 1.00 0.00 H +ATOM 2397 CB THR 151 46.230 33.060 27.470 1.00 0.00 C +ATOM 2398 HB THR 151 47.320 32.940 27.290 1.00 0.00 H +ATOM 2399 OG1 THR 151 45.920 34.490 27.270 1.00 0.00 O +ATOM 2400 HG1 THR 151 45.078 34.590 27.720 1.00 0.00 H +ATOM 2401 CG2 THR 151 45.350 32.280 26.510 1.00 0.00 C +ATOM 2402 1HG2 THR 151 44.278 32.570 26.480 1.00 0.00 H +ATOM 2403 2HG2 THR 151 45.812 32.380 25.506 1.00 0.00 H +ATOM 2404 3HG2 THR 151 45.320 31.180 26.670 1.00 0.00 H +ATOM 2405 C THR 151 46.620 33.460 29.920 1.00 0.00 C +ATOM 2406 O THR 151 47.820 33.350 30.090 1.00 0.00 O +ATOM 2407 N ILE 152 46.000 34.420 30.620 1.00 0.00 N +ATOM 2408 HN ILE 152 45.058 34.740 30.580 1.00 0.00 H +ATOM 2409 CA ILE 152 46.640 35.200 31.610 1.00 0.00 C +ATOM 2410 HA ILE 152 47.718 35.130 31.630 1.00 0.00 H +ATOM 2411 CB ILE 152 46.370 36.690 31.350 1.00 0.00 C +ATOM 2412 HB ILE 152 46.700 37.350 32.180 1.00 0.00 H +ATOM 2413 CG2 ILE 152 47.260 36.960 30.080 1.00 0.00 C +ATOM 2414 1HG2 ILE 152 47.290 38.060 29.920 1.00 0.00 H +ATOM 2415 2HG2 ILE 152 48.314 36.608 30.100 1.00 0.00 H +ATOM 2416 3HG2 ILE 152 46.710 36.420 29.280 1.00 0.00 H +ATOM 2417 CG1 ILE 152 44.890 37.090 31.130 1.00 0.00 C +ATOM 2418 1HG1 ILE 152 44.518 36.598 30.206 1.00 0.00 H +ATOM 2419 2HG1 ILE 152 44.252 36.692 31.948 1.00 0.00 H +ATOM 2420 CD ILE 152 44.760 38.610 30.950 1.00 0.00 C +ATOM 2421 HD1 ILE 152 43.710 38.970 30.910 1.00 0.00 H +ATOM 2422 HD2 ILE 152 45.270 39.130 31.790 1.00 0.00 H +ATOM 2423 HD3 ILE 152 45.322 38.870 30.028 1.00 0.00 H +ATOM 2424 C ILE 152 46.220 34.830 33.050 1.00 0.00 C +ATOM 2425 O ILE 152 47.000 35.190 33.930 1.00 0.00 O +ATOM 2426 N LYS 153 45.130 34.150 33.330 1.00 0.00 N +ATOM 2427 HN LYS 153 44.488 33.970 32.588 1.00 0.00 H +ATOM 2428 CA LYS 153 44.610 33.870 34.650 1.00 0.00 C +ATOM 2429 HA LYS 153 44.212 34.836 34.928 1.00 0.00 H +ATOM 2430 CB LYS 153 43.220 33.120 34.710 1.00 0.00 C +ATOM 2431 HB1 LYS 153 42.688 33.120 35.684 1.00 0.00 H +ATOM 2432 HB2 LYS 153 42.620 33.760 34.030 1.00 0.00 H +ATOM 2433 CG LYS 153 43.140 31.700 34.140 1.00 0.00 C +ATOM 2434 HG1 LYS 153 43.550 31.610 33.112 1.00 0.00 H +ATOM 2435 HG2 LYS 153 43.638 30.922 34.758 1.00 0.00 H +ATOM 2436 CD LYS 153 41.670 31.240 34.120 1.00 0.00 C +ATOM 2437 HD1 LYS 153 41.228 31.462 35.114 1.00 0.00 H +ATOM 2438 HD2 LYS 153 40.982 31.720 33.392 1.00 0.00 H +ATOM 2439 CE LYS 153 41.390 29.700 34.010 1.00 0.00 C +ATOM 2440 HE1 LYS 153 42.038 29.182 34.748 1.00 0.00 H +ATOM 2441 HE2 LYS 153 40.362 29.340 34.230 1.00 0.00 H +ATOM 2442 NZ LYS 153 41.590 29.210 32.710 1.00 0.00 N +ATOM 2443 HZ1 LYS 153 41.022 29.718 32.002 1.00 0.00 H +ATOM 2444 HZ2 LYS 153 42.610 29.300 32.530 1.00 0.00 H +ATOM 2445 HZ3 LYS 153 41.340 28.200 32.700 1.00 0.00 H +ATOM 2446 C LYS 153 45.500 33.520 35.830 1.00 0.00 C +ATOM 2447 O LYS 153 45.390 34.130 36.880 1.00 0.00 O +ATOM 2448 N ASP 154 46.440 32.530 35.640 1.00 0.00 N +ATOM 2449 HN ASP 154 46.490 32.088 34.748 1.00 0.00 H +ATOM 2450 CA ASP 154 47.340 31.960 36.670 1.00 0.00 C +ATOM 2451 HA ASP 154 46.684 31.618 37.456 1.00 0.00 H +ATOM 2452 CB ASP 154 48.150 30.820 36.020 1.00 0.00 C +ATOM 2453 HB1 ASP 154 48.620 31.230 35.100 1.00 0.00 H +ATOM 2454 HB2 ASP 154 48.970 30.450 36.670 1.00 0.00 H +ATOM 2455 CG ASP 154 47.230 29.670 35.720 1.00 0.00 C +ATOM 2456 OD1 ASP 154 46.350 29.370 36.550 1.00 0.00 O +ATOM 2457 OD2 ASP 154 47.520 29.010 34.680 1.00 0.00 O +ATOM 2458 C ASP 154 48.370 32.970 37.260 1.00 0.00 C +ATOM 2459 O ASP 154 48.940 32.700 38.330 1.00 0.00 O +ATOM 2460 N ASN 155 48.520 34.200 36.710 1.00 0.00 N +ATOM 2461 HN ASN 155 48.190 34.330 35.778 1.00 0.00 H +ATOM 2462 CA ASN 155 49.180 35.310 37.300 1.00 0.00 C +ATOM 2463 HA ASN 155 50.110 34.980 37.740 1.00 0.00 H +ATOM 2464 CB ASN 155 49.390 36.570 36.390 1.00 0.00 C +ATOM 2465 HB1 ASN 155 48.390 36.970 36.120 1.00 0.00 H +ATOM 2466 HB2 ASN 155 49.984 37.244 37.044 1.00 0.00 H +ATOM 2467 CG ASN 155 50.050 36.290 35.060 1.00 0.00 C +ATOM 2468 OD1 ASN 155 50.650 35.200 34.770 1.00 0.00 O +ATOM 2469 ND2 ASN 155 49.820 37.180 34.120 1.00 0.00 N +ATOM 2470 1HD2 ASN 155 49.164 37.916 34.290 1.00 0.00 H +ATOM 2471 2HD2 ASN 155 50.190 36.960 33.218 1.00 0.00 H +ATOM 2472 C ASN 155 48.380 35.780 38.470 1.00 0.00 C +ATOM 2473 O ASN 155 48.990 36.270 39.430 1.00 0.00 O +ATOM 2474 N TYR 156 46.990 35.720 38.520 1.00 0.00 N +ATOM 2475 HN TYR 156 46.552 35.112 37.862 1.00 0.00 H +ATOM 2476 CA TYR 156 46.240 36.500 39.540 1.00 0.00 C +ATOM 2477 HA TYR 156 46.888 37.158 40.098 1.00 0.00 H +ATOM 2478 CB TYR 156 45.030 37.210 38.780 1.00 0.00 C +ATOM 2479 HB1 TYR 156 44.342 36.412 38.430 1.00 0.00 H +ATOM 2480 HB2 TYR 156 44.468 37.922 39.422 1.00 0.00 H +ATOM 2481 CG TYR 156 45.400 38.000 37.620 1.00 0.00 C +ATOM 2482 CD1 TYR 156 46.430 38.930 37.690 1.00 0.00 C +ATOM 2483 HD1 TYR 156 46.880 39.270 38.610 1.00 0.00 H +ATOM 2484 CE1 TYR 156 46.910 39.600 36.530 1.00 0.00 C +ATOM 2485 HE1 TYR 156 47.668 40.358 36.670 1.00 0.00 H +ATOM 2486 CZ TYR 156 46.370 39.180 35.270 1.00 0.00 C +ATOM 2487 OH TYR 156 46.840 39.520 34.060 1.00 0.00 O +ATOM 2488 HH TYR 156 47.598 40.090 34.210 1.00 0.00 H +ATOM 2489 CD2 TYR 156 44.810 37.730 36.360 1.00 0.00 C +ATOM 2490 HD2 TYR 156 44.130 36.900 36.230 1.00 0.00 H +ATOM 2491 CE2 TYR 156 45.280 38.290 35.180 1.00 0.00 C +ATOM 2492 HE2 TYR 156 44.898 37.968 34.224 1.00 0.00 H +ATOM 2493 C TYR 156 45.720 35.570 40.660 1.00 0.00 C +ATOM 2494 O TYR 156 44.590 35.660 41.200 1.00 0.00 O +ATOM 2495 N LYS 157 46.560 34.610 41.100 1.00 0.00 N +ATOM 2496 HN LYS 157 47.470 34.690 40.700 1.00 0.00 H +ATOM 2497 CA LYS 157 46.330 33.800 42.300 1.00 0.00 C +ATOM 2498 HA LYS 157 45.324 33.412 42.230 1.00 0.00 H +ATOM 2499 CB LYS 157 47.260 32.620 42.250 1.00 0.00 C +ATOM 2500 HB1 LYS 157 48.302 32.960 42.070 1.00 0.00 H +ATOM 2501 HB2 LYS 157 47.230 32.010 43.178 1.00 0.00 H +ATOM 2502 CG LYS 157 46.820 31.780 41.070 1.00 0.00 C +ATOM 2503 HG1 LYS 157 45.714 31.730 41.160 1.00 0.00 H +ATOM 2504 HG2 LYS 157 47.150 32.310 40.150 1.00 0.00 H +ATOM 2505 CD LYS 157 47.440 30.350 41.180 1.00 0.00 C +ATOM 2506 HD1 LYS 157 47.580 30.150 42.264 1.00 0.00 H +ATOM 2507 HD2 LYS 157 46.708 29.648 40.728 1.00 0.00 H +ATOM 2508 CE LYS 157 48.710 30.240 40.410 1.00 0.00 C +ATOM 2509 HE1 LYS 157 48.390 30.070 39.360 1.00 0.00 H +ATOM 2510 HE2 LYS 157 49.212 31.226 40.510 1.00 0.00 H +ATOM 2511 NZ LYS 157 49.620 29.190 40.850 1.00 0.00 N +ATOM 2512 HZ1 LYS 157 49.134 28.276 40.740 1.00 0.00 H +ATOM 2513 HZ2 LYS 157 50.508 29.140 40.312 1.00 0.00 H +ATOM 2514 HZ3 LYS 157 49.860 29.130 41.860 1.00 0.00 H +ATOM 2515 C LYS 157 46.380 34.510 43.630 1.00 0.00 C +ATOM 2516 O LYS 157 47.380 35.120 43.910 1.00 0.00 O +ATOM 2517 N VAL 158 45.230 34.630 44.340 1.00 0.00 N +ATOM 2518 HN VAL 158 44.364 34.302 43.972 1.00 0.00 H +ATOM 2519 CA VAL 158 45.210 35.220 45.700 1.00 0.00 C +ATOM 2520 HA VAL 158 45.700 36.182 45.720 1.00 0.00 H +ATOM 2521 CB VAL 158 43.810 35.500 46.130 1.00 0.00 C +ATOM 2522 HB VAL 158 43.094 34.666 45.962 1.00 0.00 H +ATOM 2523 CG1 VAL 158 43.660 35.860 47.620 1.00 0.00 C +ATOM 2524 1HG1 VAL 158 42.576 36.068 47.750 1.00 0.00 H +ATOM 2525 2HG1 VAL 158 43.880 35.060 48.360 1.00 0.00 H +ATOM 2526 3HG1 VAL 158 44.238 36.776 47.868 1.00 0.00 H +ATOM 2527 CG2 VAL 158 43.250 36.590 45.300 1.00 0.00 C +ATOM 2528 1HG2 VAL 158 43.662 37.594 45.540 1.00 0.00 H +ATOM 2529 2HG2 VAL 158 43.310 36.400 44.208 1.00 0.00 H +ATOM 2530 3HG2 VAL 158 42.200 36.740 45.630 1.00 0.00 H +ATOM 2531 C VAL 158 46.010 34.310 46.590 1.00 0.00 C +ATOM 2532 O VAL 158 45.540 33.230 46.850 1.00 0.00 O +ATOM 2533 N THR 159 47.160 34.710 47.110 1.00 0.00 N +ATOM 2534 HN THR 159 47.402 35.676 47.160 1.00 0.00 H +ATOM 2535 CA THR 159 48.040 33.820 47.860 1.00 0.00 C +ATOM 2536 HA THR 159 47.810 32.798 47.600 1.00 0.00 H +ATOM 2537 CB THR 159 49.500 34.180 47.590 1.00 0.00 C +ATOM 2538 HB THR 159 50.178 33.554 48.206 1.00 0.00 H +ATOM 2539 OG1 THR 159 49.870 35.550 47.900 1.00 0.00 O +ATOM 2540 HG1 THR 159 50.638 35.800 47.382 1.00 0.00 H +ATOM 2541 CG2 THR 159 49.830 33.900 46.140 1.00 0.00 C +ATOM 2542 1HG2 THR 159 49.790 32.852 45.770 1.00 0.00 H +ATOM 2543 2HG2 THR 159 49.440 34.550 45.328 1.00 0.00 H +ATOM 2544 3HG2 THR 159 50.898 34.202 46.100 1.00 0.00 H +ATOM 2545 C THR 159 47.900 33.980 49.350 1.00 0.00 C +ATOM 2546 O THR 159 48.770 33.580 50.160 1.00 0.00 O +ATOM 2547 N ASP 160 46.720 34.540 49.720 1.00 0.00 N +ATOM 2548 HN ASP 160 46.006 34.590 49.026 1.00 0.00 H +ATOM 2549 CA ASP 160 46.400 34.730 51.120 1.00 0.00 C +ATOM 2550 HA ASP 160 47.152 34.240 51.720 1.00 0.00 H +ATOM 2551 CB ASP 160 46.460 36.270 51.270 1.00 0.00 C +ATOM 2552 HB1 ASP 160 46.360 36.520 52.348 1.00 0.00 H +ATOM 2553 HB2 ASP 160 47.412 36.620 50.818 1.00 0.00 H +ATOM 2554 CG ASP 160 45.350 37.070 50.590 1.00 0.00 C +ATOM 2555 OD1 ASP 160 44.200 36.830 50.880 1.00 0.00 O +ATOM 2556 OD2 ASP 160 45.710 38.060 49.880 1.00 0.00 O +ATOM 2557 C ASP 160 45.090 34.070 51.560 1.00 0.00 C +ATOM 2558 O ASP 160 44.360 33.530 50.780 1.00 0.00 O +ATOM 2559 N GLY 161 44.970 33.950 52.890 1.00 0.00 N +ATOM 2560 HN GLY 161 45.696 34.298 53.478 1.00 0.00 H +ATOM 2561 CA GLY 161 43.740 33.510 53.490 1.00 0.00 C +ATOM 2562 HA1 GLY 161 43.318 32.788 52.808 1.00 0.00 H +ATOM 2563 HA2 GLY 161 44.088 33.102 54.428 1.00 0.00 H +ATOM 2564 C GLY 161 42.720 34.490 53.720 1.00 0.00 C +ATOM 2565 O GLY 161 41.810 34.250 54.460 1.00 0.00 O +ATOM 2566 N ASN 162 42.740 35.670 53.090 1.00 0.00 N +ATOM 2567 HN ASN 162 43.328 35.840 52.302 1.00 0.00 H +ATOM 2568 CA ASN 162 41.640 36.620 53.260 1.00 0.00 C +ATOM 2569 HA ASN 162 41.140 36.500 54.210 1.00 0.00 H +ATOM 2570 CB ASN 162 42.210 38.010 53.270 1.00 0.00 C +ATOM 2571 HB1 ASN 162 42.786 38.298 52.364 1.00 0.00 H +ATOM 2572 HB2 ASN 162 41.420 38.790 53.330 1.00 0.00 H +ATOM 2573 CG ASN 162 43.330 38.290 54.300 1.00 0.00 C +ATOM 2574 OD1 ASN 162 44.410 38.820 54.010 1.00 0.00 O +ATOM 2575 ND2 ASN 162 43.140 37.780 55.580 1.00 0.00 N +ATOM 2576 1HD2 ASN 162 42.258 37.370 55.810 1.00 0.00 H +ATOM 2577 2HD2 ASN 162 43.786 38.118 56.266 1.00 0.00 H +ATOM 2578 C ASN 162 40.470 36.590 52.250 1.00 0.00 C +ATOM 2579 O ASN 162 40.540 37.320 51.280 1.00 0.00 O +ATOM 2580 N GLY 163 39.450 35.700 52.450 1.00 0.00 N +ATOM 2581 HN GLY 163 39.530 34.940 53.090 1.00 0.00 H +ATOM 2582 CA GLY 163 38.200 35.820 51.820 1.00 0.00 C +ATOM 2583 HA1 GLY 163 38.370 35.980 50.764 1.00 0.00 H +ATOM 2584 HA2 GLY 163 37.616 34.944 52.062 1.00 0.00 H +ATOM 2585 C GLY 163 37.480 37.080 52.340 1.00 0.00 C +ATOM 2586 O GLY 163 37.630 37.500 53.450 1.00 0.00 O +ATOM 2587 N TYR 164 36.380 37.450 51.530 1.00 0.00 N +ATOM 2588 HN TYR 164 36.052 37.032 50.686 1.00 0.00 H +ATOM 2589 CA TYR 164 35.390 38.370 52.170 1.00 0.00 C +ATOM 2590 HA TYR 164 35.790 39.000 52.950 1.00 0.00 H +ATOM 2591 CB TYR 164 34.740 39.400 51.160 1.00 0.00 C +ATOM 2592 HB1 TYR 164 34.082 38.732 50.562 1.00 0.00 H +ATOM 2593 HB2 TYR 164 34.130 40.160 51.690 1.00 0.00 H +ATOM 2594 CG TYR 164 35.740 40.240 50.350 1.00 0.00 C +ATOM 2595 CD1 TYR 164 36.860 40.850 50.830 1.00 0.00 C +ATOM 2596 HD1 TYR 164 37.160 40.880 51.868 1.00 0.00 H +ATOM 2597 CE1 TYR 164 37.660 41.580 50.030 1.00 0.00 C +ATOM 2598 HE1 TYR 164 38.488 42.190 50.360 1.00 0.00 H +ATOM 2599 CZ TYR 164 37.410 41.720 48.640 1.00 0.00 C +ATOM 2600 OH TYR 164 38.260 42.490 47.840 1.00 0.00 O +ATOM 2601 HH TYR 164 37.940 42.560 46.938 1.00 0.00 H +ATOM 2602 CD2 TYR 164 35.420 40.360 48.980 1.00 0.00 C +ATOM 2603 HD2 TYR 164 34.480 39.930 48.670 1.00 0.00 H +ATOM 2604 CE2 TYR 164 36.280 41.140 48.160 1.00 0.00 C +ATOM 2605 HE2 TYR 164 36.090 41.160 47.098 1.00 0.00 H +ATOM 2606 C TYR 164 34.380 37.530 52.990 1.00 0.00 C +ATOM 2607 O TYR 164 33.240 37.330 52.630 1.00 0.00 O +ATOM 2608 N TRP 165 34.810 37.000 54.100 1.00 0.00 N +ATOM 2609 HN TRP 165 35.798 36.950 54.220 1.00 0.00 H +ATOM 2610 CA TRP 165 33.950 36.320 55.050 1.00 0.00 C +ATOM 2611 HA TRP 165 33.498 35.496 54.518 1.00 0.00 H +ATOM 2612 CB TRP 165 34.750 35.680 56.240 1.00 0.00 C +ATOM 2613 HB1 TRP 165 34.928 36.544 56.916 1.00 0.00 H +ATOM 2614 HB2 TRP 165 34.128 34.888 56.710 1.00 0.00 H +ATOM 2615 CG TRP 165 36.060 35.170 55.860 1.00 0.00 C +ATOM 2616 CD1 TRP 165 37.270 35.620 56.400 1.00 0.00 C +ATOM 2617 HD1 TRP 165 37.280 36.238 57.286 1.00 0.00 H +ATOM 2618 NE1 TRP 165 38.310 34.860 55.900 1.00 0.00 N +ATOM 2619 HE1 TRP 165 39.242 34.880 56.188 1.00 0.00 H +ATOM 2620 CE2 TRP 165 37.830 33.910 55.000 1.00 0.00 C +ATOM 2621 CD2 TRP 165 36.410 34.120 54.980 1.00 0.00 C +ATOM 2622 CE3 TRP 165 35.710 33.290 54.100 1.00 0.00 C +ATOM 2623 HE3 TRP 165 34.632 33.230 54.090 1.00 0.00 H +ATOM 2624 CZ3 TRP 165 36.350 32.200 53.410 1.00 0.00 C +ATOM 2625 HZ3 TRP 165 35.768 31.518 52.808 1.00 0.00 H +ATOM 2626 CZ2 TRP 165 38.460 32.850 54.410 1.00 0.00 C +ATOM 2627 HZ2 TRP 165 39.504 32.610 54.550 1.00 0.00 H +ATOM 2628 CH2 TRP 165 37.740 32.010 53.610 1.00 0.00 C +ATOM 2629 HH2 TRP 165 38.300 31.200 53.170 1.00 0.00 H +ATOM 2630 C TRP 165 32.900 37.300 55.660 1.00 0.00 C +ATOM 2631 O TRP 165 33.240 38.410 56.040 1.00 0.00 O +ATOM 2632 N ASN 166 31.580 36.920 55.780 1.00 0.00 N +ATOM 2633 HN ASN 166 31.350 35.980 55.540 1.00 0.00 H +ATOM 2634 CA ASN 166 30.360 37.730 56.050 1.00 0.00 C +ATOM 2635 HA ASN 166 29.528 37.280 55.530 1.00 0.00 H +ATOM 2636 CB ASN 166 30.030 37.930 57.580 1.00 0.00 C +ATOM 2637 HB1 ASN 166 30.822 38.422 58.182 1.00 0.00 H +ATOM 2638 HB2 ASN 166 29.082 38.510 57.570 1.00 0.00 H +ATOM 2639 CG ASN 166 29.760 36.610 58.180 1.00 0.00 C +ATOM 2640 OD1 ASN 166 30.390 36.210 59.120 1.00 0.00 O +ATOM 2641 ND2 ASN 166 28.740 35.970 57.620 1.00 0.00 N +ATOM 2642 1HD2 ASN 166 28.160 36.420 56.940 1.00 0.00 H +ATOM 2643 2HD2 ASN 166 28.690 34.972 57.660 1.00 0.00 H +ATOM 2644 C ASN 166 30.370 39.100 55.400 1.00 0.00 C +ATOM 2645 O ASN 166 30.240 40.110 56.060 1.00 0.00 O +ATOM 2646 N TRP 167 30.640 39.160 54.110 1.00 0.00 N +ATOM 2647 HN TRP 167 30.848 38.374 53.532 1.00 0.00 H +ATOM 2648 CA TRP 167 30.660 40.430 53.350 1.00 0.00 C +ATOM 2649 HA TRP 167 31.470 41.000 53.780 1.00 0.00 H +ATOM 2650 CB TRP 167 31.200 40.070 51.900 1.00 0.00 C +ATOM 2651 HB1 TRP 167 32.096 39.436 52.072 1.00 0.00 H +ATOM 2652 HB2 TRP 167 30.428 39.398 51.468 1.00 0.00 H +ATOM 2653 CG TRP 167 31.590 41.180 50.960 1.00 0.00 C +ATOM 2654 CD1 TRP 167 32.500 42.200 51.240 1.00 0.00 C +ATOM 2655 HD1 TRP 167 32.770 42.560 52.222 1.00 0.00 H +ATOM 2656 NE1 TRP 167 32.680 42.910 50.110 1.00 0.00 N +ATOM 2657 HE1 TRP 167 33.304 43.654 50.010 1.00 0.00 H +ATOM 2658 CE2 TRP 167 31.870 42.440 49.080 1.00 0.00 C +ATOM 2659 CD2 TRP 167 31.180 41.280 49.590 1.00 0.00 C +ATOM 2660 CE3 TRP 167 30.290 40.530 48.730 1.00 0.00 C +ATOM 2661 HE3 TRP 167 29.768 39.608 48.940 1.00 0.00 H +ATOM 2662 CZ3 TRP 167 30.140 41.000 47.420 1.00 0.00 C +ATOM 2663 HZ3 TRP 167 29.496 40.508 46.706 1.00 0.00 H +ATOM 2664 CZ2 TRP 167 31.770 42.820 47.730 1.00 0.00 C +ATOM 2665 HZ2 TRP 167 32.158 43.776 47.412 1.00 0.00 H +ATOM 2666 CH2 TRP 167 30.940 42.070 46.950 1.00 0.00 C +ATOM 2667 HH2 TRP 167 30.860 42.380 45.918 1.00 0.00 H +ATOM 2668 C TRP 167 29.360 41.150 53.250 1.00 0.00 C +ATOM 2669 O TRP 167 29.220 42.390 53.370 1.00 0.00 O +ATOM 2670 N LYS 168 28.290 40.370 53.130 1.00 0.00 N +ATOM 2671 HN LYS 168 28.492 39.414 52.928 1.00 0.00 H +ATOM 2672 CA LYS 168 26.940 40.940 53.060 1.00 0.00 C +ATOM 2673 HA LYS 168 26.940 41.954 53.432 1.00 0.00 H +ATOM 2674 CB LYS 168 26.310 40.860 51.660 1.00 0.00 C +ATOM 2675 HB1 LYS 168 26.072 39.784 51.510 1.00 0.00 H +ATOM 2676 HB2 LYS 168 25.440 41.550 51.670 1.00 0.00 H +ATOM 2677 CG LYS 168 27.130 41.360 50.530 1.00 0.00 C +ATOM 2678 HG1 LYS 168 28.174 40.982 50.510 1.00 0.00 H +ATOM 2679 HG2 LYS 168 26.620 41.260 49.548 1.00 0.00 H +ATOM 2680 CD LYS 168 27.290 42.920 50.690 1.00 0.00 C +ATOM 2681 HD1 LYS 168 26.256 43.308 50.560 1.00 0.00 H +ATOM 2682 HD2 LYS 168 27.490 43.120 51.766 1.00 0.00 H +ATOM 2683 CE LYS 168 28.370 43.630 49.840 1.00 0.00 C +ATOM 2684 HE1 LYS 168 29.368 43.520 50.318 1.00 0.00 H +ATOM 2685 HE2 LYS 168 28.540 43.128 48.864 1.00 0.00 H +ATOM 2686 NZ LYS 168 27.950 45.000 49.610 1.00 0.00 N +ATOM 2687 HZ1 LYS 168 26.968 44.980 49.270 1.00 0.00 H +ATOM 2688 HZ2 LYS 168 28.040 45.632 50.432 1.00 0.00 H +ATOM 2689 HZ3 LYS 168 28.480 45.490 48.860 1.00 0.00 H +ATOM 2690 C LYS 168 26.030 40.210 54.100 1.00 0.00 C +ATOM 2691 O LYS 168 26.640 39.630 54.950 1.00 0.00 O +ATOM 2692 N GLY 169 24.750 40.320 54.070 1.00 0.00 N +ATOM 2693 HN GLY 169 24.312 40.858 53.354 1.00 0.00 H +ATOM 2694 CA GLY 169 23.770 39.560 54.850 1.00 0.00 C +ATOM 2695 HA1 GLY 169 24.000 39.790 55.880 1.00 0.00 H +ATOM 2696 HA2 GLY 169 22.806 39.952 54.560 1.00 0.00 H +ATOM 2697 C GLY 169 23.740 38.100 54.820 1.00 0.00 C +ATOM 2698 O GLY 169 24.640 37.420 54.330 1.00 0.00 O +ATOM 2699 N THR 170 22.690 37.500 55.360 1.00 0.00 N +ATOM 2700 HN THR 170 22.040 38.190 55.670 1.00 0.00 H +ATOM 2701 CA THR 170 22.360 36.000 55.240 1.00 0.00 C +ATOM 2702 HA THR 170 23.352 35.578 55.190 1.00 0.00 H +ATOM 2703 CB THR 170 21.370 35.580 56.360 1.00 0.00 C +ATOM 2704 HB THR 170 21.200 34.488 56.240 1.00 0.00 H +ATOM 2705 OG1 THR 170 20.160 36.280 56.260 1.00 0.00 O +ATOM 2706 HG1 THR 170 19.790 36.120 57.130 1.00 0.00 H +ATOM 2707 CG2 THR 170 21.960 35.950 57.710 1.00 0.00 C +ATOM 2708 1HG2 THR 170 22.210 37.032 57.740 1.00 0.00 H +ATOM 2709 2HG2 THR 170 21.210 35.820 58.520 1.00 0.00 H +ATOM 2710 3HG2 THR 170 22.690 35.190 58.060 1.00 0.00 H +ATOM 2711 C THR 170 21.730 35.650 53.930 1.00 0.00 C +ATOM 2712 O THR 170 21.680 34.500 53.480 1.00 0.00 O +ATOM 2713 N ASN 171 21.110 36.720 53.330 1.00 0.00 N +ATOM 2714 HN ASN 171 21.070 37.570 53.850 1.00 0.00 H +ATOM 2715 CA ASN 171 20.300 36.640 52.140 1.00 0.00 C +ATOM 2716 HA ASN 171 19.752 35.714 52.250 1.00 0.00 H +ATOM 2717 CB ASN 171 19.260 37.840 51.940 1.00 0.00 C +ATOM 2718 HB1 ASN 171 18.398 37.810 52.642 1.00 0.00 H +ATOM 2719 HB2 ASN 171 19.880 38.760 51.910 1.00 0.00 H +ATOM 2720 CG ASN 171 18.640 37.920 50.510 1.00 0.00 C +ATOM 2721 OD1 ASN 171 19.100 38.820 49.790 1.00 0.00 O +ATOM 2722 ND2 ASN 171 17.750 36.930 50.150 1.00 0.00 N +ATOM 2723 1HD2 ASN 171 17.452 36.274 50.846 1.00 0.00 H +ATOM 2724 2HD2 ASN 171 17.238 37.040 49.298 1.00 0.00 H +ATOM 2725 C ASN 171 21.330 36.510 50.950 1.00 0.00 C +ATOM 2726 O ASN 171 22.140 37.380 50.760 1.00 0.00 O +ATOM 2727 N PRO 172 21.460 35.370 50.290 1.00 0.00 N +ATOM 2728 CD PRO 172 20.590 34.220 50.400 1.00 0.00 C +ATOM 2729 HD1 PRO 172 19.498 34.420 50.350 1.00 0.00 H +ATOM 2730 HD2 PRO 172 20.750 33.688 51.362 1.00 0.00 H +ATOM 2731 CA PRO 172 22.540 35.140 49.380 1.00 0.00 C +ATOM 2732 HA PRO 172 23.438 35.560 49.810 1.00 0.00 H +ATOM 2733 CB PRO 172 22.520 33.610 49.240 1.00 0.00 C +ATOM 2734 HB1 PRO 172 23.050 33.340 48.302 1.00 0.00 H +ATOM 2735 HB2 PRO 172 23.060 33.060 50.040 1.00 0.00 H +ATOM 2736 CG PRO 172 21.050 33.350 49.220 1.00 0.00 C +ATOM 2737 HG1 PRO 172 20.560 33.780 48.320 1.00 0.00 H +ATOM 2738 HG2 PRO 172 20.810 32.272 49.350 1.00 0.00 H +ATOM 2739 C PRO 172 22.380 35.890 48.110 1.00 0.00 C +ATOM 2740 O PRO 172 23.340 36.090 47.350 1.00 0.00 O +ATOM 2741 N GLU 173 21.170 36.430 47.830 1.00 0.00 N +ATOM 2742 HN GLU 173 20.392 36.150 48.388 1.00 0.00 H +ATOM 2743 CA GLU 173 20.880 37.380 46.770 1.00 0.00 C +ATOM 2744 HA GLU 173 21.100 36.852 45.854 1.00 0.00 H +ATOM 2745 CB GLU 173 19.370 37.780 46.670 1.00 0.00 C +ATOM 2746 HB1 GLU 173 19.150 38.180 47.682 1.00 0.00 H +ATOM 2747 HB2 GLU 173 19.192 38.694 46.064 1.00 0.00 H +ATOM 2748 CG GLU 173 18.420 36.600 46.340 1.00 0.00 C +ATOM 2749 HG1 GLU 173 18.440 36.270 45.280 1.00 0.00 H +ATOM 2750 HG2 GLU 173 18.640 35.778 47.052 1.00 0.00 H +ATOM 2751 CD GLU 173 17.020 37.100 46.590 1.00 0.00 C +ATOM 2752 OE1 GLU 173 16.400 36.300 47.360 1.00 0.00 O +ATOM 2753 OE2 GLU 173 16.540 38.120 46.100 1.00 0.00 O +ATOM 2754 C GLU 173 21.770 38.630 46.870 1.00 0.00 C +ATOM 2755 O GLU 173 22.070 39.200 45.860 1.00 0.00 O +ATOM 2756 N GLU 174 22.060 39.200 48.120 1.00 0.00 N +ATOM 2757 HN GLU 174 21.710 38.810 48.968 1.00 0.00 H +ATOM 2758 CA GLU 174 22.810 40.420 48.460 1.00 0.00 C +ATOM 2759 HA GLU 174 22.420 41.300 47.970 1.00 0.00 H +ATOM 2760 CB GLU 174 22.860 40.650 50.010 1.00 0.00 C +ATOM 2761 HB1 GLU 174 23.208 39.664 50.388 1.00 0.00 H +ATOM 2762 HB2 GLU 174 23.640 41.430 50.140 1.00 0.00 H +ATOM 2763 CG GLU 174 21.580 41.120 50.860 1.00 0.00 C +ATOM 2764 HG1 GLU 174 21.160 42.040 50.400 1.00 0.00 H +ATOM 2765 HG2 GLU 174 20.832 40.302 50.770 1.00 0.00 H +ATOM 2766 CD GLU 174 21.780 41.480 52.360 1.00 0.00 C +ATOM 2767 OE1 GLU 174 20.800 41.350 53.130 1.00 0.00 O +ATOM 2768 OE2 GLU 174 22.970 41.830 52.670 1.00 0.00 O +ATOM 2769 C GLU 174 24.210 40.100 47.900 1.00 0.00 C +ATOM 2770 O GLU 174 24.910 40.940 47.290 1.00 0.00 O +ATOM 2771 N TRP 175 24.720 38.920 48.090 1.00 0.00 N +ATOM 2772 HN TRP 175 24.148 38.198 48.472 1.00 0.00 H +ATOM 2773 CA TRP 175 26.020 38.540 47.640 1.00 0.00 C +ATOM 2774 HA TRP 175 26.712 39.292 47.990 1.00 0.00 H +ATOM 2775 CB TRP 175 26.550 37.140 48.200 1.00 0.00 C +ATOM 2776 HB1 TRP 175 25.850 36.340 47.880 1.00 0.00 H +ATOM 2777 HB2 TRP 175 27.486 36.842 47.682 1.00 0.00 H +ATOM 2778 CG TRP 175 26.890 37.090 49.660 1.00 0.00 C +ATOM 2779 CD1 TRP 175 25.950 37.030 50.730 1.00 0.00 C +ATOM 2780 HD1 TRP 175 24.884 37.110 50.580 1.00 0.00 H +ATOM 2781 NE1 TRP 175 26.680 37.010 51.950 1.00 0.00 N +ATOM 2782 HE1 TRP 175 26.280 36.880 52.830 1.00 0.00 H +ATOM 2783 CE2 TRP 175 28.000 36.890 51.690 1.00 0.00 C +ATOM 2784 CD2 TRP 175 28.110 36.930 50.260 1.00 0.00 C +ATOM 2785 CE3 TRP 175 29.390 36.750 49.750 1.00 0.00 C +ATOM 2786 HE3 TRP 175 29.620 36.850 48.700 1.00 0.00 H +ATOM 2787 CZ3 TRP 175 30.480 36.500 50.630 1.00 0.00 C +ATOM 2788 HZ3 TRP 175 31.476 36.340 50.242 1.00 0.00 H +ATOM 2789 CZ2 TRP 175 29.040 36.620 52.560 1.00 0.00 C +ATOM 2790 HZ2 TRP 175 28.880 36.440 53.612 1.00 0.00 H +ATOM 2791 CH2 TRP 175 30.330 36.450 52.060 1.00 0.00 C +ATOM 2792 HH2 TRP 175 31.242 36.280 52.612 1.00 0.00 H +ATOM 2793 C TRP 175 26.220 38.580 46.100 1.00 0.00 C +ATOM 2794 O TRP 175 27.210 39.180 45.620 1.00 0.00 O +ATOM 2795 N ILE 176 25.260 38.090 45.250 1.00 0.00 N +ATOM 2796 HN ILE 176 24.530 37.610 45.730 1.00 0.00 H +ATOM 2797 CA ILE 176 25.230 38.290 43.820 1.00 0.00 C +ATOM 2798 HA ILE 176 26.124 37.968 43.308 1.00 0.00 H +ATOM 2799 CB ILE 176 24.110 37.430 43.260 1.00 0.00 C +ATOM 2800 HB ILE 176 23.126 37.852 43.552 1.00 0.00 H +ATOM 2801 CG2 ILE 176 24.230 37.520 41.690 1.00 0.00 C +ATOM 2802 1HG2 ILE 176 24.100 38.552 41.300 1.00 0.00 H +ATOM 2803 2HG2 ILE 176 25.154 36.998 41.358 1.00 0.00 H +ATOM 2804 3HG2 ILE 176 23.368 36.968 41.258 1.00 0.00 H +ATOM 2805 CG1 ILE 176 24.190 35.960 43.690 1.00 0.00 C +ATOM 2806 1HG1 ILE 176 25.110 35.480 43.290 1.00 0.00 H +ATOM 2807 2HG1 ILE 176 24.090 35.910 44.794 1.00 0.00 H +ATOM 2808 CD ILE 176 23.150 34.960 43.010 1.00 0.00 C +ATOM 2809 HD1 ILE 176 23.170 33.876 43.250 1.00 0.00 H +ATOM 2810 HD2 ILE 176 22.196 35.522 43.110 1.00 0.00 H +ATOM 2811 HD3 ILE 176 23.390 34.800 41.938 1.00 0.00 H +ATOM 2812 C ILE 176 25.010 39.790 43.520 1.00 0.00 C +ATOM 2813 O ILE 176 25.850 40.290 42.740 1.00 0.00 O +ATOM 2814 N HIS 177 24.090 40.490 44.230 1.00 0.00 N +ATOM 2815 HN HIS 177 23.340 40.010 44.680 1.00 0.00 H +ATOM 2816 CA HIS 177 23.950 41.970 43.950 1.00 0.00 C +ATOM 2817 HA HIS 177 23.770 42.090 42.892 1.00 0.00 H +ATOM 2818 CB HIS 177 22.700 42.550 44.700 1.00 0.00 C +ATOM 2819 HB1 HIS 177 21.790 41.950 44.480 1.00 0.00 H +ATOM 2820 HB2 HIS 177 22.800 42.440 45.800 1.00 0.00 H +ATOM 2821 ND1 HIS 177 21.650 44.400 43.410 1.00 0.00 N +ATOM 2822 HD1 HIS 177 21.218 43.748 42.788 1.00 0.00 H +ATOM 2823 CG HIS 177 22.420 43.960 44.430 1.00 0.00 C +ATOM 2824 CE1 HIS 177 21.440 45.720 43.560 1.00 0.00 C +ATOM 2825 HE1 HIS 177 20.756 46.236 42.886 1.00 0.00 H +ATOM 2826 NE2 HIS 177 22.100 46.200 44.610 1.00 0.00 N +ATOM 2827 CD2 HIS 177 22.720 45.070 45.140 1.00 0.00 C +ATOM 2828 HD2 HIS 177 23.324 45.160 46.034 1.00 0.00 H +ATOM 2829 C HIS 177 25.200 42.810 44.200 1.00 0.00 C +ATOM 2830 O HIS 177 25.460 43.810 43.450 1.00 0.00 O +ATOM 2831 N GLY 178 25.940 42.420 45.260 1.00 0.00 N +ATOM 2832 HN GLY 178 25.658 41.714 45.904 1.00 0.00 H +ATOM 2833 CA GLY 178 27.170 43.120 45.660 1.00 0.00 C +ATOM 2834 HA1 GLY 178 26.872 44.144 45.830 1.00 0.00 H +ATOM 2835 HA2 GLY 178 27.460 42.700 46.612 1.00 0.00 H +ATOM 2836 C GLY 178 28.310 42.960 44.690 1.00 0.00 C +ATOM 2837 O GLY 178 29.000 43.950 44.340 1.00 0.00 O +ATOM 2838 N ALA 179 28.510 41.740 44.250 1.00 0.00 N +ATOM 2839 HN ALA 179 27.910 41.070 44.680 1.00 0.00 H +ATOM 2840 CA ALA 179 29.470 41.330 43.200 1.00 0.00 C +ATOM 2841 HA ALA 179 30.460 41.640 43.500 1.00 0.00 H +ATOM 2842 CB ALA 179 29.450 39.840 42.840 1.00 0.00 C +ATOM 2843 HB1 ALA 179 29.936 39.662 41.856 1.00 0.00 H +ATOM 2844 HB2 ALA 179 29.980 39.360 43.690 1.00 0.00 H +ATOM 2845 HB3 ALA 179 28.446 39.368 42.900 1.00 0.00 H +ATOM 2846 C ALA 179 29.250 42.140 41.940 1.00 0.00 C +ATOM 2847 O ALA 179 30.130 42.800 41.520 1.00 0.00 O +ATOM 2848 N ALA 180 28.020 42.110 41.380 1.00 0.00 N +ATOM 2849 HN ALA 180 27.288 41.690 41.910 1.00 0.00 H +ATOM 2850 CA ALA 180 27.560 42.750 40.230 1.00 0.00 C +ATOM 2851 HA ALA 180 28.064 42.288 39.394 1.00 0.00 H +ATOM 2852 CB ALA 180 26.060 42.510 40.160 1.00 0.00 C +ATOM 2853 HB1 ALA 180 25.690 42.750 39.140 1.00 0.00 H +ATOM 2854 HB2 ALA 180 25.782 41.474 40.448 1.00 0.00 H +ATOM 2855 HB3 ALA 180 25.488 43.232 40.782 1.00 0.00 H +ATOM 2856 C ALA 180 27.770 44.260 40.270 1.00 0.00 C +ATOM 2857 O ALA 180 28.260 44.840 39.370 1.00 0.00 O +ATOM 2858 N VAL 181 27.380 44.840 41.390 1.00 0.00 N +ATOM 2859 HN VAL 181 26.908 44.388 42.142 1.00 0.00 H +ATOM 2860 CA VAL 181 27.640 46.270 41.600 1.00 0.00 C +ATOM 2861 HA VAL 181 27.072 46.778 40.834 1.00 0.00 H +ATOM 2862 CB VAL 181 27.150 46.750 42.980 1.00 0.00 C +ATOM 2863 HB VAL 181 27.510 46.032 43.748 1.00 0.00 H +ATOM 2864 CG1 VAL 181 27.790 48.150 43.330 1.00 0.00 C +ATOM 2865 1HG1 VAL 181 28.822 48.060 43.730 1.00 0.00 H +ATOM 2866 2HG1 VAL 181 27.700 48.728 42.384 1.00 0.00 H +ATOM 2867 3HG1 VAL 181 27.148 48.732 44.024 1.00 0.00 H +ATOM 2868 CG2 VAL 181 25.670 46.970 42.900 1.00 0.00 C +ATOM 2869 1HG2 VAL 181 25.330 47.698 42.132 1.00 0.00 H +ATOM 2870 2HG2 VAL 181 25.170 46.058 42.510 1.00 0.00 H +ATOM 2871 3HG2 VAL 181 25.270 47.340 43.868 1.00 0.00 H +ATOM 2872 C VAL 181 29.070 46.670 41.440 1.00 0.00 C +ATOM 2873 O VAL 181 29.390 47.510 40.600 1.00 0.00 O +ATOM 2874 N VAL 182 30.060 45.990 42.130 1.00 0.00 N +ATOM 2875 HN VAL 182 29.702 45.332 42.788 1.00 0.00 H +ATOM 2876 CA VAL 182 31.490 46.120 42.010 1.00 0.00 C +ATOM 2877 HA VAL 182 31.610 47.176 42.200 1.00 0.00 H +ATOM 2878 CB VAL 182 32.290 45.420 43.200 1.00 0.00 C +ATOM 2879 HB VAL 182 32.270 44.318 43.070 1.00 0.00 H +ATOM 2880 CG1 VAL 182 33.720 46.000 43.150 1.00 0.00 C +ATOM 2881 1HG1 VAL 182 34.220 46.030 42.158 1.00 0.00 H +ATOM 2882 2HG1 VAL 182 33.490 47.074 43.310 1.00 0.00 H +ATOM 2883 3HG1 VAL 182 34.358 45.582 43.958 1.00 0.00 H +ATOM 2884 CG2 VAL 182 31.670 45.800 44.520 1.00 0.00 C +ATOM 2885 1HG2 VAL 182 32.442 45.530 45.272 1.00 0.00 H +ATOM 2886 2HG2 VAL 182 31.400 46.878 44.480 1.00 0.00 H +ATOM 2887 3HG2 VAL 182 30.754 45.242 44.808 1.00 0.00 H +ATOM 2888 C VAL 182 31.990 45.790 40.640 1.00 0.00 C +ATOM 2889 O VAL 182 32.830 46.450 40.070 1.00 0.00 O +ATOM 2890 N ALA 183 31.540 44.750 39.960 1.00 0.00 N +ATOM 2891 HN ALA 183 30.892 44.082 40.318 1.00 0.00 H +ATOM 2892 CA ALA 183 31.810 44.540 38.570 1.00 0.00 C +ATOM 2893 HA ALA 183 32.884 44.570 38.450 1.00 0.00 H +ATOM 2894 CB ALA 183 31.200 43.230 38.270 1.00 0.00 C +ATOM 2895 HB1 ALA 183 30.098 43.270 38.130 1.00 0.00 H +ATOM 2896 HB2 ALA 183 31.666 42.844 37.338 1.00 0.00 H +ATOM 2897 HB3 ALA 183 31.410 42.448 39.032 1.00 0.00 H +ATOM 2898 C ALA 183 31.320 45.600 37.590 1.00 0.00 C +ATOM 2899 O ALA 183 32.070 46.070 36.740 1.00 0.00 O +ATOM 2900 N LYS 184 30.110 46.060 37.750 1.00 0.00 N +ATOM 2901 HN LYS 184 29.568 45.790 38.542 1.00 0.00 H +ATOM 2902 CA LYS 184 29.560 47.120 36.940 1.00 0.00 C +ATOM 2903 HA LYS 184 29.680 46.648 35.976 1.00 0.00 H +ATOM 2904 CB LYS 184 28.080 47.390 37.060 1.00 0.00 C +ATOM 2905 HB1 LYS 184 27.610 46.390 36.950 1.00 0.00 H +ATOM 2906 HB2 LYS 184 27.780 47.750 38.068 1.00 0.00 H +ATOM 2907 CG LYS 184 27.460 48.370 36.010 1.00 0.00 C +ATOM 2908 HG1 LYS 184 27.610 49.410 36.370 1.00 0.00 H +ATOM 2909 HG2 LYS 184 27.912 48.300 34.998 1.00 0.00 H +ATOM 2910 CD LYS 184 25.910 48.110 35.760 1.00 0.00 C +ATOM 2911 HD1 LYS 184 25.840 47.028 35.520 1.00 0.00 H +ATOM 2912 HD2 LYS 184 25.430 48.250 36.752 1.00 0.00 H +ATOM 2913 CE LYS 184 25.290 48.990 34.640 1.00 0.00 C +ATOM 2914 HE1 LYS 184 25.700 50.018 34.730 1.00 0.00 H +ATOM 2915 HE2 LYS 184 25.520 48.692 33.594 1.00 0.00 H +ATOM 2916 NZ LYS 184 23.850 49.190 34.850 1.00 0.00 N +ATOM 2917 HZ1 LYS 184 23.522 49.858 34.122 1.00 0.00 H +ATOM 2918 HZ2 LYS 184 23.258 48.336 34.800 1.00 0.00 H +ATOM 2919 HZ3 LYS 184 23.690 49.588 35.798 1.00 0.00 H +ATOM 2920 C LYS 184 30.350 48.450 36.970 1.00 0.00 C +ATOM 2921 O LYS 184 30.660 49.090 35.990 1.00 0.00 O +ATOM 2922 N GLN 185 30.850 48.780 38.120 1.00 0.00 N +ATOM 2923 HN GLN 185 30.580 48.198 38.882 1.00 0.00 H +ATOM 2924 CA GLN 185 31.740 49.890 38.300 1.00 0.00 C +ATOM 2925 HA GLN 185 31.198 50.702 37.838 1.00 0.00 H +ATOM 2926 CB GLN 185 31.910 50.030 39.840 1.00 0.00 C +ATOM 2927 HB1 GLN 185 32.220 49.100 40.360 1.00 0.00 H +ATOM 2928 HB2 GLN 185 32.728 50.748 40.070 1.00 0.00 H +ATOM 2929 CG GLN 185 30.710 50.640 40.540 1.00 0.00 C +ATOM 2930 HG1 GLN 185 30.610 51.682 40.170 1.00 0.00 H +ATOM 2931 HG2 GLN 185 29.680 50.240 40.420 1.00 0.00 H +ATOM 2932 CD GLN 185 30.870 50.570 42.100 1.00 0.00 C +ATOM 2933 OE1 GLN 185 31.950 50.130 42.680 1.00 0.00 O +ATOM 2934 NE2 GLN 185 29.840 51.030 42.870 1.00 0.00 N +ATOM 2935 1HE2 GLN 185 28.986 51.218 42.384 1.00 0.00 H +ATOM 2936 2HE2 GLN 185 29.970 51.240 43.838 1.00 0.00 H +ATOM 2937 C GLN 185 33.110 49.870 37.560 1.00 0.00 C +ATOM 2938 O GLN 185 33.620 50.870 37.000 1.00 0.00 O +ATOM 2939 N ASP 186 33.600 48.660 37.460 1.00 0.00 N +ATOM 2940 HN ASP 186 33.132 47.902 37.908 1.00 0.00 H +ATOM 2941 CA ASP 186 34.810 48.300 36.750 1.00 0.00 C +ATOM 2942 HA ASP 186 35.538 49.098 36.760 1.00 0.00 H +ATOM 2943 CB ASP 186 35.370 47.010 37.470 1.00 0.00 C +ATOM 2944 HB1 ASP 186 34.584 46.234 37.590 1.00 0.00 H +ATOM 2945 HB2 ASP 186 36.118 46.492 36.832 1.00 0.00 H +ATOM 2946 CG ASP 186 35.930 47.230 38.810 1.00 0.00 C +ATOM 2947 OD1 ASP 186 36.280 48.360 39.170 1.00 0.00 O +ATOM 2948 OD2 ASP 186 36.090 46.230 39.610 1.00 0.00 O +ATOM 2949 C ASP 186 34.570 48.000 35.260 1.00 0.00 C +ATOM 2950 O ASP 186 35.440 47.750 34.490 1.00 0.00 O +ATOM 2951 N TYR 187 33.330 48.070 34.720 1.00 0.00 N +ATOM 2952 HN TYR 187 32.604 48.528 35.228 1.00 0.00 H +ATOM 2953 CA TYR 187 32.920 47.760 33.340 1.00 0.00 C +ATOM 2954 HA TYR 187 33.220 46.730 33.210 1.00 0.00 H +ATOM 2955 CB TYR 187 31.380 47.920 33.070 1.00 0.00 C +ATOM 2956 HB1 TYR 187 30.786 47.104 33.534 1.00 0.00 H +ATOM 2957 HB2 TYR 187 31.120 48.902 33.520 1.00 0.00 H +ATOM 2958 CG TYR 187 30.930 47.920 31.620 1.00 0.00 C +ATOM 2959 CD1 TYR 187 30.620 46.680 31.040 1.00 0.00 C +ATOM 2960 HD1 TYR 187 31.000 45.752 31.440 1.00 0.00 H +ATOM 2961 CE1 TYR 187 30.010 46.580 29.800 1.00 0.00 C +ATOM 2962 HE1 TYR 187 29.890 45.626 29.308 1.00 0.00 H +ATOM 2963 CZ TYR 187 29.670 47.780 29.150 1.00 0.00 C +ATOM 2964 OH TYR 187 28.910 47.670 27.950 1.00 0.00 O +ATOM 2965 HH TYR 187 29.058 48.502 27.494 1.00 0.00 H +ATOM 2966 CD2 TYR 187 30.540 49.050 30.970 1.00 0.00 C +ATOM 2967 HD2 TYR 187 30.580 50.022 31.440 1.00 0.00 H +ATOM 2968 CE2 TYR 187 29.920 49.030 29.760 1.00 0.00 C +ATOM 2969 HE2 TYR 187 29.692 49.946 29.232 1.00 0.00 H +ATOM 2970 C TYR 187 33.730 48.500 32.310 1.00 0.00 C +ATOM 2971 O TYR 187 34.220 47.890 31.350 1.00 0.00 O +ATOM 2972 N SER 188 33.920 49.780 32.530 1.00 0.00 N +ATOM 2973 HN SER 188 33.382 50.040 33.328 1.00 0.00 H +ATOM 2974 CA SER 188 34.630 50.670 31.670 1.00 0.00 C +ATOM 2975 HA SER 188 34.290 50.580 30.650 1.00 0.00 H +ATOM 2976 CB SER 188 34.570 52.200 32.110 1.00 0.00 C +ATOM 2977 HB1 SER 188 35.416 52.766 31.662 1.00 0.00 H +ATOM 2978 HB2 SER 188 33.588 52.650 31.850 1.00 0.00 H +ATOM 2979 OG SER 188 34.680 52.310 33.560 1.00 0.00 O +ATOM 2980 HG1 SER 188 33.832 52.040 33.920 1.00 0.00 H +ATOM 2981 C SER 188 36.140 50.440 31.540 1.00 0.00 C +ATOM 2982 O SER 188 36.780 50.820 30.560 1.00 0.00 O +ATOM 2983 N GLY 189 36.720 49.710 32.540 1.00 0.00 N +ATOM 2984 HN GLY 189 36.108 49.358 33.244 1.00 0.00 H +ATOM 2985 CA GLY 189 38.030 49.150 32.460 1.00 0.00 C +ATOM 2986 HA1 GLY 189 38.672 49.992 32.250 1.00 0.00 H +ATOM 2987 HA2 GLY 189 38.210 48.698 33.424 1.00 0.00 H +ATOM 2988 C GLY 189 38.250 48.050 31.460 1.00 0.00 C +ATOM 2989 O GLY 189 39.400 47.700 31.240 1.00 0.00 O +ATOM 2990 N ILE 190 37.230 47.510 30.820 1.00 0.00 N +ATOM 2991 HN ILE 190 36.332 47.840 31.100 1.00 0.00 H +ATOM 2992 CA ILE 190 37.210 46.490 29.810 1.00 0.00 C +ATOM 2993 HA ILE 190 38.236 46.228 29.598 1.00 0.00 H +ATOM 2994 CB ILE 190 36.390 45.310 30.160 1.00 0.00 C +ATOM 2995 HB ILE 190 35.324 45.590 30.300 1.00 0.00 H +ATOM 2996 CG2 ILE 190 36.410 44.260 29.070 1.00 0.00 C +ATOM 2997 1HG2 ILE 190 36.230 44.702 28.066 1.00 0.00 H +ATOM 2998 2HG2 ILE 190 37.418 43.792 29.050 1.00 0.00 H +ATOM 2999 3HG2 ILE 190 35.610 43.490 29.090 1.00 0.00 H +ATOM 3000 CG1 ILE 190 36.900 44.700 31.530 1.00 0.00 C +ATOM 3001 1HG1 ILE 190 37.910 44.280 31.330 1.00 0.00 H +ATOM 3002 2HG1 ILE 190 37.040 45.464 32.324 1.00 0.00 H +ATOM 3003 CD ILE 190 36.110 43.570 32.050 1.00 0.00 C +ATOM 3004 HD1 ILE 190 36.150 42.710 31.350 1.00 0.00 H +ATOM 3005 HD2 ILE 190 36.660 43.220 32.950 1.00 0.00 H +ATOM 3006 HD3 ILE 190 35.092 43.960 32.270 1.00 0.00 H +ATOM 3007 C ILE 190 36.700 47.120 28.560 1.00 0.00 C +ATOM 3008 O ILE 190 37.430 47.230 27.530 1.00 0.00 O +ATOM 3009 N VAL 191 35.430 47.550 28.590 1.00 0.00 N +ATOM 3010 HN VAL 191 35.000 47.540 29.490 1.00 0.00 H +ATOM 3011 CA VAL 191 34.710 48.090 27.460 1.00 0.00 C +ATOM 3012 HA VAL 191 35.022 47.778 26.474 1.00 0.00 H +ATOM 3013 CB VAL 191 33.210 47.700 27.430 1.00 0.00 C +ATOM 3014 HB VAL 191 32.710 47.960 28.388 1.00 0.00 H +ATOM 3015 CG1 VAL 191 32.390 48.350 26.310 1.00 0.00 C +ATOM 3016 1HG1 VAL 191 32.270 49.454 26.370 1.00 0.00 H +ATOM 3017 2HG1 VAL 191 32.800 48.150 25.298 1.00 0.00 H +ATOM 3018 3HG1 VAL 191 31.348 47.970 26.360 1.00 0.00 H +ATOM 3019 CG2 VAL 191 33.090 46.160 27.260 1.00 0.00 C +ATOM 3020 1HG2 VAL 191 33.290 45.820 26.222 1.00 0.00 H +ATOM 3021 2HG2 VAL 191 33.706 45.574 27.976 1.00 0.00 H +ATOM 3022 3HG2 VAL 191 32.028 45.890 27.440 1.00 0.00 H +ATOM 3023 C VAL 191 34.710 49.630 27.430 1.00 0.00 C +ATOM 3024 O VAL 191 34.240 50.280 28.360 1.00 0.00 O +ATOM 3025 N ASN 192 35.320 50.210 26.390 1.00 0.00 N +ATOM 3026 HN ASN 192 35.892 49.718 25.738 1.00 0.00 H +ATOM 3027 CA ASN 192 35.400 51.620 26.210 1.00 0.00 C +ATOM 3028 HA ASN 192 34.402 52.028 26.280 1.00 0.00 H +ATOM 3029 CB ASN 192 36.210 52.260 27.260 1.00 0.00 C +ATOM 3030 HB1 ASN 192 36.090 53.364 27.270 1.00 0.00 H +ATOM 3031 HB2 ASN 192 35.880 52.000 28.288 1.00 0.00 H +ATOM 3032 CG ASN 192 37.760 52.000 27.250 1.00 0.00 C +ATOM 3033 OD1 ASN 192 38.570 52.870 26.890 1.00 0.00 O +ATOM 3034 ND2 ASN 192 38.080 50.750 27.680 1.00 0.00 N +ATOM 3035 1HD2 ASN 192 37.340 50.310 28.190 1.00 0.00 H +ATOM 3036 2HD2 ASN 192 39.038 50.490 27.550 1.00 0.00 H +ATOM 3037 C ASN 192 35.910 51.910 24.770 1.00 0.00 C +ATOM 3038 O ASN 192 36.350 50.950 24.040 1.00 0.00 O +ATOM 3039 N ASP 193 35.810 53.180 24.260 1.00 0.00 N +ATOM 3040 HN ASP 193 35.342 53.846 24.836 1.00 0.00 H +ATOM 3041 CA ASP 193 35.920 53.450 22.790 1.00 0.00 C +ATOM 3042 HA ASP 193 35.238 52.838 22.218 1.00 0.00 H +ATOM 3043 CB ASP 193 35.810 55.010 22.480 1.00 0.00 C +ATOM 3044 HB1 ASP 193 36.470 55.580 23.170 1.00 0.00 H +ATOM 3045 HB2 ASP 193 35.850 55.150 21.378 1.00 0.00 H +ATOM 3046 CG ASP 193 34.300 55.460 22.710 1.00 0.00 C +ATOM 3047 OD1 ASP 193 33.330 54.690 22.480 1.00 0.00 O +ATOM 3048 OD2 ASP 193 34.160 56.670 22.850 1.00 0.00 O +ATOM 3049 C ASP 193 37.250 53.020 22.230 1.00 0.00 C +ATOM 3050 O ASP 193 37.320 52.540 21.090 1.00 0.00 O +ATOM 3051 N ASN 194 38.370 53.240 22.970 1.00 0.00 N +ATOM 3052 HN ASN 194 38.470 53.856 23.746 1.00 0.00 H +ATOM 3053 CA ASN 194 39.620 52.590 22.560 1.00 0.00 C +ATOM 3054 HA ASN 194 39.680 52.910 21.530 1.00 0.00 H +ATOM 3055 CB ASN 194 40.790 53.000 23.440 1.00 0.00 C +ATOM 3056 HB1 ASN 194 40.512 52.782 24.494 1.00 0.00 H +ATOM 3057 HB2 ASN 194 41.722 52.470 23.150 1.00 0.00 H +ATOM 3058 CG ASN 194 41.130 54.440 23.410 1.00 0.00 C +ATOM 3059 OD1 ASN 194 41.420 55.030 24.480 1.00 0.00 O +ATOM 3060 ND2 ASN 194 41.100 55.130 22.250 1.00 0.00 N +ATOM 3061 1HD2 ASN 194 40.950 54.750 21.338 1.00 0.00 H +ATOM 3062 2HD2 ASN 194 41.312 56.096 22.400 1.00 0.00 H +ATOM 3063 C ASN 194 39.660 51.010 22.480 1.00 0.00 C +ATOM 3064 O ASN 194 40.100 50.470 21.470 1.00 0.00 O +ATOM 3065 N THR 195 39.240 50.330 23.510 1.00 0.00 N +ATOM 3066 HN THR 195 38.788 50.802 24.262 1.00 0.00 H +ATOM 3067 CA THR 195 39.150 48.870 23.380 1.00 0.00 C +ATOM 3068 HA THR 195 40.154 48.508 23.220 1.00 0.00 H +ATOM 3069 CB THR 195 38.850 48.100 24.630 1.00 0.00 C +ATOM 3070 HB THR 195 38.760 47.008 24.450 1.00 0.00 H +ATOM 3071 OG1 THR 195 37.660 48.520 25.190 1.00 0.00 O +ATOM 3072 HG1 THR 195 37.580 48.080 26.040 1.00 0.00 H +ATOM 3073 CG2 THR 195 39.870 48.460 25.720 1.00 0.00 C +ATOM 3074 1HG2 THR 195 39.760 49.518 26.040 1.00 0.00 H +ATOM 3075 2HG2 THR 195 39.572 47.884 26.624 1.00 0.00 H +ATOM 3076 3HG2 THR 195 40.922 48.290 25.410 1.00 0.00 H +ATOM 3077 C THR 195 38.280 48.330 22.250 1.00 0.00 C +ATOM 3078 O THR 195 38.600 47.390 21.570 1.00 0.00 O +ATOM 3079 N LYS 196 37.080 49.030 22.000 1.00 0.00 N +ATOM 3080 HN LYS 196 36.910 49.862 22.522 1.00 0.00 H +ATOM 3081 CA LYS 196 36.130 48.780 20.910 1.00 0.00 C +ATOM 3082 HA LYS 196 35.712 47.784 20.960 1.00 0.00 H +ATOM 3083 CB LYS 196 34.850 49.620 20.940 1.00 0.00 C +ATOM 3084 HB1 LYS 196 35.132 50.694 20.900 1.00 0.00 H +ATOM 3085 HB2 LYS 196 34.268 49.420 20.016 1.00 0.00 H +ATOM 3086 CG LYS 196 33.980 49.370 22.090 1.00 0.00 C +ATOM 3087 HG1 LYS 196 33.840 48.270 22.150 1.00 0.00 H +ATOM 3088 HG2 LYS 196 34.500 49.610 23.042 1.00 0.00 H +ATOM 3089 CD LYS 196 32.700 50.210 22.110 1.00 0.00 C +ATOM 3090 HD1 LYS 196 33.032 51.234 21.838 1.00 0.00 H +ATOM 3091 HD2 LYS 196 32.018 49.938 21.276 1.00 0.00 H +ATOM 3092 CE LYS 196 31.990 50.120 23.430 1.00 0.00 C +ATOM 3093 HE1 LYS 196 31.728 49.052 23.592 1.00 0.00 H +ATOM 3094 HE2 LYS 196 32.530 50.620 24.262 1.00 0.00 H +ATOM 3095 NZ LYS 196 30.780 50.940 23.270 1.00 0.00 N +ATOM 3096 HZ1 LYS 196 30.540 51.360 22.350 1.00 0.00 H +ATOM 3097 HZ2 LYS 196 30.058 50.218 23.460 1.00 0.00 H +ATOM 3098 HZ3 LYS 196 30.790 51.710 23.970 1.00 0.00 H +ATOM 3099 C LYS 196 36.790 48.940 19.510 1.00 0.00 C +ATOM 3100 O LYS 196 36.610 48.130 18.670 1.00 0.00 O +ATOM 3101 N ASP 197 37.520 50.040 19.300 1.00 0.00 N +ATOM 3102 HN ASP 197 37.610 50.686 20.054 1.00 0.00 H +ATOM 3103 CA ASP 197 38.200 50.280 18.000 1.00 0.00 C +ATOM 3104 HA ASP 197 37.472 50.110 17.222 1.00 0.00 H +ATOM 3105 CB ASP 197 38.600 51.780 18.220 1.00 0.00 C +ATOM 3106 HB1 ASP 197 37.640 52.300 18.420 1.00 0.00 H +ATOM 3107 HB2 ASP 197 39.334 51.960 19.034 1.00 0.00 H +ATOM 3108 CG ASP 197 39.210 52.380 16.990 1.00 0.00 C +ATOM 3109 OD1 ASP 197 38.780 52.080 15.820 1.00 0.00 O +ATOM 3110 OD2 ASP 197 40.140 53.280 17.080 1.00 0.00 O +ATOM 3111 C ASP 197 39.400 49.430 17.820 1.00 0.00 C +ATOM 3112 O ASP 197 39.570 48.890 16.700 1.00 0.00 O +ATOM 3113 N TRP 198 40.190 49.190 18.910 1.00 0.00 N +ATOM 3114 HN TRP 198 39.960 49.490 19.832 1.00 0.00 H +ATOM 3115 CA TRP 198 41.410 48.290 18.840 1.00 0.00 C +ATOM 3116 HA TRP 198 41.960 48.490 17.932 1.00 0.00 H +ATOM 3117 CB TRP 198 42.420 48.540 20.010 1.00 0.00 C +ATOM 3118 HB1 TRP 198 42.002 48.182 20.976 1.00 0.00 H +ATOM 3119 HB2 TRP 198 43.348 47.950 19.850 1.00 0.00 H +ATOM 3120 CG TRP 198 42.850 49.970 20.210 1.00 0.00 C +ATOM 3121 CD1 TRP 198 42.970 51.010 19.330 1.00 0.00 C +ATOM 3122 HD1 TRP 198 42.460 50.980 18.378 1.00 0.00 H +ATOM 3123 NE1 TRP 198 43.610 52.110 20.030 1.00 0.00 N +ATOM 3124 HE1 TRP 198 44.052 52.854 19.578 1.00 0.00 H +ATOM 3125 CE2 TRP 198 43.920 51.720 21.350 1.00 0.00 C +ATOM 3126 CD2 TRP 198 43.440 50.400 21.460 1.00 0.00 C +ATOM 3127 CE3 TRP 198 43.550 49.790 22.720 1.00 0.00 C +ATOM 3128 HE3 TRP 198 43.210 48.770 22.810 1.00 0.00 H +ATOM 3129 CZ3 TRP 198 44.180 50.460 23.780 1.00 0.00 C +ATOM 3130 HZ3 TRP 198 44.390 50.030 24.748 1.00 0.00 H +ATOM 3131 CZ2 TRP 198 44.470 52.410 22.410 1.00 0.00 C +ATOM 3132 HZ2 TRP 198 44.850 53.418 22.340 1.00 0.00 H +ATOM 3133 CH2 TRP 198 44.620 51.760 23.600 1.00 0.00 C +ATOM 3134 HH2 TRP 198 44.958 52.238 24.508 1.00 0.00 H +ATOM 3135 C TRP 198 41.060 46.870 18.550 1.00 0.00 C +ATOM 3136 O TRP 198 41.740 46.150 17.760 1.00 0.00 O +ATOM 3137 N PHE 199 39.920 46.390 19.120 1.00 0.00 N +ATOM 3138 HN PHE 199 39.392 46.948 19.756 1.00 0.00 H +ATOM 3139 CA PHE 199 39.330 45.130 18.770 1.00 0.00 C +ATOM 3140 HA PHE 199 40.018 44.342 19.040 1.00 0.00 H +ATOM 3141 CB PHE 199 38.090 44.770 19.610 1.00 0.00 C +ATOM 3142 HB1 PHE 199 38.390 44.820 20.678 1.00 0.00 H +ATOM 3143 HB2 PHE 199 37.340 45.570 19.440 1.00 0.00 H +ATOM 3144 CG PHE 199 37.510 43.400 19.320 1.00 0.00 C +ATOM 3145 CD1 PHE 199 38.200 42.340 19.920 1.00 0.00 C +ATOM 3146 HD1 PHE 199 39.132 42.400 20.462 1.00 0.00 H +ATOM 3147 CE1 PHE 199 37.660 40.980 19.710 1.00 0.00 C +ATOM 3148 HE1 PHE 199 38.020 40.118 20.252 1.00 0.00 H +ATOM 3149 CZ PHE 199 36.550 40.750 18.860 1.00 0.00 C +ATOM 3150 HZ PHE 199 36.348 39.712 18.638 1.00 0.00 H +ATOM 3151 CD2 PHE 199 36.340 43.150 18.570 1.00 0.00 C +ATOM 3152 HD2 PHE 199 35.918 44.002 18.058 1.00 0.00 H +ATOM 3153 CE2 PHE 199 35.920 41.830 18.310 1.00 0.00 C +ATOM 3154 HE2 PHE 199 35.146 41.810 17.556 1.00 0.00 H +ATOM 3155 C PHE 199 38.900 44.990 17.320 1.00 0.00 C +ATOM 3156 O PHE 199 39.230 44.020 16.630 1.00 0.00 O +ATOM 3157 N VAL 200 38.260 46.040 16.730 1.00 0.00 N +ATOM 3158 HN VAL 200 37.812 46.786 17.218 1.00 0.00 H +ATOM 3159 CA VAL 200 37.940 45.990 15.300 1.00 0.00 C +ATOM 3160 HA VAL 200 37.410 45.078 15.070 1.00 0.00 H +ATOM 3161 CB VAL 200 36.920 47.100 14.980 1.00 0.00 C +ATOM 3162 HB VAL 200 37.258 48.034 15.478 1.00 0.00 H +ATOM 3163 CG1 VAL 200 36.920 47.420 13.530 1.00 0.00 C +ATOM 3164 1HG1 VAL 200 37.926 47.712 13.158 1.00 0.00 H +ATOM 3165 2HG1 VAL 200 36.620 46.562 12.892 1.00 0.00 H +ATOM 3166 3HG1 VAL 200 36.310 48.310 13.270 1.00 0.00 H +ATOM 3167 CG2 VAL 200 35.540 46.740 15.600 1.00 0.00 C +ATOM 3168 1HG2 VAL 200 34.712 47.438 15.350 1.00 0.00 H +ATOM 3169 2HG2 VAL 200 35.240 45.732 15.240 1.00 0.00 H +ATOM 3170 3HG2 VAL 200 35.520 46.630 16.704 1.00 0.00 H +ATOM 3171 C VAL 200 39.230 45.960 14.370 1.00 0.00 C +ATOM 3172 O VAL 200 39.350 45.170 13.430 1.00 0.00 O +ATOM 3173 N LYS 201 40.310 46.710 14.730 1.00 0.00 N +ATOM 3174 HN LYS 201 40.260 47.324 15.514 1.00 0.00 H +ATOM 3175 CA LYS 201 41.600 46.810 13.970 1.00 0.00 C +ATOM 3176 HA LYS 201 41.410 46.860 12.908 1.00 0.00 H +ATOM 3177 CB LYS 201 42.260 48.190 14.320 1.00 0.00 C +ATOM 3178 HB1 LYS 201 42.450 48.330 15.406 1.00 0.00 H +ATOM 3179 HB2 LYS 201 43.262 48.180 13.840 1.00 0.00 H +ATOM 3180 CG LYS 201 41.500 49.390 13.690 1.00 0.00 C +ATOM 3181 HG1 LYS 201 41.998 49.570 12.714 1.00 0.00 H +ATOM 3182 HG2 LYS 201 40.422 49.130 13.620 1.00 0.00 H +ATOM 3183 CD LYS 201 41.640 50.720 14.540 1.00 0.00 C +ATOM 3184 HD1 LYS 201 41.110 50.490 15.490 1.00 0.00 H +ATOM 3185 HD2 LYS 201 42.722 50.910 14.710 1.00 0.00 H +ATOM 3186 CE LYS 201 41.090 51.990 13.770 1.00 0.00 C +ATOM 3187 HE1 LYS 201 41.560 52.080 12.768 1.00 0.00 H +ATOM 3188 HE2 LYS 201 40.060 51.740 13.440 1.00 0.00 H +ATOM 3189 NZ LYS 201 41.140 53.170 14.530 1.00 0.00 N +ATOM 3190 HZ1 LYS 201 40.436 53.160 15.294 1.00 0.00 H +ATOM 3191 HZ2 LYS 201 42.118 53.400 14.800 1.00 0.00 H +ATOM 3192 HZ3 LYS 201 40.890 54.018 13.982 1.00 0.00 H +ATOM 3193 C LYS 201 42.530 45.550 14.220 1.00 0.00 C +ATOM 3194 O LYS 201 43.400 45.230 13.400 1.00 0.00 O +ATOM 3195 N ALA 202 42.220 44.800 15.290 1.00 0.00 N +ATOM 3196 HN ALA 202 41.560 45.060 15.990 1.00 0.00 H +ATOM 3197 CA ALA 202 42.940 43.640 15.600 1.00 0.00 C +ATOM 3198 HA ALA 202 43.998 43.860 15.630 1.00 0.00 H +ATOM 3199 CB ALA 202 42.600 43.280 17.030 1.00 0.00 C +ATOM 3200 HB1 ALA 202 42.970 42.242 17.170 1.00 0.00 H +ATOM 3201 HB2 ALA 202 43.040 44.020 17.730 1.00 0.00 H +ATOM 3202 HB3 ALA 202 41.510 43.480 17.120 1.00 0.00 H +ATOM 3203 C ALA 202 42.780 42.540 14.570 1.00 0.00 C +ATOM 3204 O ALA 202 43.680 41.750 14.290 1.00 0.00 O +ATOM 3205 N ALA 203 41.630 42.530 13.850 1.00 0.00 N +ATOM 3206 HN ALA 203 40.880 43.130 14.120 1.00 0.00 H +ATOM 3207 CA ALA 203 41.320 41.670 12.730 1.00 0.00 C +ATOM 3208 HA ALA 203 41.220 40.652 13.080 1.00 0.00 H +ATOM 3209 CB ALA 203 39.980 42.210 12.150 1.00 0.00 C +ATOM 3210 HB1 ALA 203 39.450 42.470 13.090 1.00 0.00 H +ATOM 3211 HB2 ALA 203 40.170 43.124 11.548 1.00 0.00 H +ATOM 3212 HB3 ALA 203 39.380 41.460 11.590 1.00 0.00 H +ATOM 3213 C ALA 203 42.340 41.650 11.610 1.00 0.00 C +ATOM 3214 O ALA 203 42.680 40.580 11.110 1.00 0.00 O +ATOM 3215 N VAL 204 42.830 42.810 11.200 1.00 0.00 N +ATOM 3216 HN VAL 204 42.498 43.686 11.542 1.00 0.00 H +ATOM 3217 CA VAL 204 43.770 42.980 10.070 1.00 0.00 C +ATOM 3218 HA VAL 204 43.830 42.026 9.568 1.00 0.00 H +ATOM 3219 CB VAL 204 43.450 44.080 9.090 1.00 0.00 C +ATOM 3220 HB VAL 204 44.202 44.230 8.288 1.00 0.00 H +ATOM 3221 CG1 VAL 204 42.140 43.660 8.440 1.00 0.00 C +ATOM 3222 1HG1 VAL 204 42.030 44.362 7.588 1.00 0.00 H +ATOM 3223 2HG1 VAL 204 42.220 42.604 8.102 1.00 0.00 H +ATOM 3224 3HG1 VAL 204 41.340 43.720 9.210 1.00 0.00 H +ATOM 3225 CG2 VAL 204 43.290 45.370 9.810 1.00 0.00 C +ATOM 3226 1HG2 VAL 204 44.226 45.728 10.288 1.00 0.00 H +ATOM 3227 2HG2 VAL 204 43.060 46.210 9.120 1.00 0.00 H +ATOM 3228 3HG2 VAL 204 42.548 45.280 10.632 1.00 0.00 H +ATOM 3229 C VAL 204 45.140 43.320 10.590 1.00 0.00 C +ATOM 3230 O VAL 204 46.060 43.330 9.870 1.00 0.00 O +ATOM 3231 N SER 205 45.300 43.500 11.920 1.00 0.00 N +ATOM 3232 HN SER 205 44.572 43.430 12.598 1.00 0.00 H +ATOM 3233 CA SER 205 46.540 43.950 12.580 1.00 0.00 C +ATOM 3234 HA SER 205 47.394 43.810 11.936 1.00 0.00 H +ATOM 3235 CB SER 205 46.610 45.470 12.840 1.00 0.00 C +ATOM 3236 HB1 SER 205 46.750 46.038 11.894 1.00 0.00 H +ATOM 3237 HB2 SER 205 45.672 45.854 13.294 1.00 0.00 H +ATOM 3238 OG SER 205 47.750 45.970 13.550 1.00 0.00 O +ATOM 3239 HG1 SER 205 47.970 46.820 13.160 1.00 0.00 H +ATOM 3240 C SER 205 46.910 43.240 13.810 1.00 0.00 C +ATOM 3241 O SER 205 46.140 43.220 14.800 1.00 0.00 O +ATOM 3242 N GLN 206 48.060 42.550 13.840 1.00 0.00 N +ATOM 3243 HN GLN 206 48.538 42.590 12.966 1.00 0.00 H +ATOM 3244 CA GLN 206 48.610 41.970 15.010 1.00 0.00 C +ATOM 3245 HA GLN 206 47.924 41.314 15.524 1.00 0.00 H +ATOM 3246 CB GLN 206 49.840 41.070 14.640 1.00 0.00 C +ATOM 3247 HB1 GLN 206 50.400 40.740 15.540 1.00 0.00 H +ATOM 3248 HB2 GLN 206 49.408 40.146 14.198 1.00 0.00 H +ATOM 3249 CG GLN 206 50.970 41.660 13.750 1.00 0.00 C +ATOM 3250 HG1 GLN 206 51.142 42.748 13.892 1.00 0.00 H +ATOM 3251 HG2 GLN 206 51.910 41.130 14.010 1.00 0.00 H +ATOM 3252 CD GLN 206 50.910 41.350 12.210 1.00 0.00 C +ATOM 3253 OE1 GLN 206 50.940 40.180 11.740 1.00 0.00 O +ATOM 3254 NE2 GLN 206 50.870 42.430 11.430 1.00 0.00 N +ATOM 3255 1HE2 GLN 206 50.750 43.320 11.870 1.00 0.00 H +ATOM 3256 2HE2 GLN 206 51.238 42.320 10.506 1.00 0.00 H +ATOM 3257 C GLN 206 48.940 42.950 16.150 1.00 0.00 C +ATOM 3258 O GLN 206 48.840 42.640 17.330 1.00 0.00 O +ATOM 3259 N GLU 207 49.380 44.160 15.830 1.00 0.00 N +ATOM 3260 HN GLU 207 49.510 44.448 14.884 1.00 0.00 H +ATOM 3261 CA GLU 207 49.760 45.180 16.830 1.00 0.00 C +ATOM 3262 HA GLU 207 50.440 44.820 17.590 1.00 0.00 H +ATOM 3263 CB GLU 207 50.360 46.450 16.120 1.00 0.00 C +ATOM 3264 HB1 GLU 207 51.426 46.540 16.420 1.00 0.00 H +ATOM 3265 HB2 GLU 207 50.320 46.340 15.014 1.00 0.00 H +ATOM 3266 CG GLU 207 49.810 47.880 16.430 1.00 0.00 C +ATOM 3267 HG1 GLU 207 48.746 47.960 16.120 1.00 0.00 H +ATOM 3268 HG2 GLU 207 49.730 48.120 17.512 1.00 0.00 H +ATOM 3269 CD GLU 207 50.560 48.930 15.670 1.00 0.00 C +ATOM 3270 OE1 GLU 207 50.030 49.280 14.540 1.00 0.00 O +ATOM 3271 OE2 GLU 207 51.550 49.440 16.180 1.00 0.00 O +ATOM 3272 C GLU 207 48.540 45.600 17.680 1.00 0.00 C +ATOM 3273 O GLU 207 48.560 45.700 18.880 1.00 0.00 O +ATOM 3274 N TYR 208 47.360 45.790 17.030 1.00 0.00 N +ATOM 3275 HN TYR 208 47.280 45.740 16.038 1.00 0.00 H +ATOM 3276 CA TYR 208 46.070 46.010 17.620 1.00 0.00 C +ATOM 3277 HA TYR 208 46.330 46.690 18.418 1.00 0.00 H +ATOM 3278 CB TYR 208 45.010 46.740 16.680 1.00 0.00 C +ATOM 3279 HB1 TYR 208 44.810 46.150 15.760 1.00 0.00 H +ATOM 3280 HB2 TYR 208 44.036 46.790 17.212 1.00 0.00 H +ATOM 3281 CG TYR 208 45.410 48.110 16.380 1.00 0.00 C +ATOM 3282 CD1 TYR 208 45.230 49.130 17.300 1.00 0.00 C +ATOM 3283 HD1 TYR 208 44.868 48.910 18.294 1.00 0.00 H +ATOM 3284 CE1 TYR 208 45.570 50.450 16.980 1.00 0.00 C +ATOM 3285 HE1 TYR 208 45.370 51.230 17.700 1.00 0.00 H +ATOM 3286 CZ TYR 208 46.090 50.730 15.700 1.00 0.00 C +ATOM 3287 OH TYR 208 46.570 51.960 15.380 1.00 0.00 O +ATOM 3288 HH TYR 208 47.212 51.840 14.678 1.00 0.00 H +ATOM 3289 CD2 TYR 208 45.880 48.450 15.110 1.00 0.00 C +ATOM 3290 HD2 TYR 208 45.850 47.672 14.362 1.00 0.00 H +ATOM 3291 CE2 TYR 208 46.280 49.750 14.750 1.00 0.00 C +ATOM 3292 HE2 TYR 208 46.740 49.930 13.790 1.00 0.00 H +ATOM 3293 C TYR 208 45.490 44.840 18.370 1.00 0.00 C +ATOM 3294 O TYR 208 44.840 44.990 19.430 1.00 0.00 O +ATOM 3295 N ALA 209 45.670 43.610 17.900 1.00 0.00 N +ATOM 3296 HN ALA 209 46.276 43.442 17.126 1.00 0.00 H +ATOM 3297 CA ALA 209 45.340 42.440 18.630 1.00 0.00 C +ATOM 3298 HA ALA 209 44.282 42.440 18.850 1.00 0.00 H +ATOM 3299 CB ALA 209 45.790 41.260 17.730 1.00 0.00 C +ATOM 3300 HB1 ALA 209 45.340 40.318 18.110 1.00 0.00 H +ATOM 3301 HB2 ALA 209 45.430 41.400 16.688 1.00 0.00 H +ATOM 3302 HB3 ALA 209 46.894 41.160 17.660 1.00 0.00 H +ATOM 3303 C ALA 209 46.060 42.240 19.990 1.00 0.00 C +ATOM 3304 O ALA 209 45.450 41.880 20.990 1.00 0.00 O +ATOM 3305 N ASP 210 47.320 42.660 20.040 1.00 0.00 N +ATOM 3306 HN ASP 210 47.776 42.740 19.156 1.00 0.00 H +ATOM 3307 CA ASP 210 48.000 42.940 21.300 1.00 0.00 C +ATOM 3308 HA ASP 210 47.730 42.070 21.880 1.00 0.00 H +ATOM 3309 CB ASP 210 49.550 42.950 21.190 1.00 0.00 C +ATOM 3310 HB1 ASP 210 49.878 43.628 20.372 1.00 0.00 H +ATOM 3311 HB2 ASP 210 50.082 43.320 22.092 1.00 0.00 H +ATOM 3312 CG ASP 210 50.130 41.600 20.990 1.00 0.00 C +ATOM 3313 OD1 ASP 210 49.520 40.580 21.390 1.00 0.00 O +ATOM 3314 OD2 ASP 210 51.280 41.560 20.460 1.00 0.00 O +ATOM 3315 C ASP 210 47.570 44.140 22.150 1.00 0.00 C +ATOM 3316 O ASP 210 47.460 44.170 23.430 1.00 0.00 O +ATOM 3317 N LYS 211 47.210 45.220 21.430 1.00 0.00 N +ATOM 3318 HN LYS 211 47.220 45.250 20.434 1.00 0.00 H +ATOM 3319 CA LYS 211 46.920 46.480 21.990 1.00 0.00 C +ATOM 3320 HA LYS 211 47.690 46.710 22.710 1.00 0.00 H +ATOM 3321 CB LYS 211 46.640 47.580 20.930 1.00 0.00 C +ATOM 3322 HB1 LYS 211 47.238 47.450 20.002 1.00 0.00 H +ATOM 3323 HB2 LYS 211 45.594 47.600 20.558 1.00 0.00 H +ATOM 3324 CG LYS 211 47.090 49.050 21.310 1.00 0.00 C +ATOM 3325 HG1 LYS 211 46.274 49.220 22.046 1.00 0.00 H +ATOM 3326 HG2 LYS 211 48.068 48.960 21.830 1.00 0.00 H +ATOM 3327 CD LYS 211 47.140 50.090 20.210 1.00 0.00 C +ATOM 3328 HD1 LYS 211 47.680 49.720 19.312 1.00 0.00 H +ATOM 3329 HD2 LYS 211 46.086 50.290 19.920 1.00 0.00 H +ATOM 3330 CE LYS 211 47.780 51.350 20.790 1.00 0.00 C +ATOM 3331 HE1 LYS 211 47.196 51.772 21.636 1.00 0.00 H +ATOM 3332 HE2 LYS 211 48.780 51.150 21.230 1.00 0.00 H +ATOM 3333 NZ LYS 211 47.880 52.290 19.640 1.00 0.00 N +ATOM 3334 HZ1 LYS 211 48.272 51.758 18.838 1.00 0.00 H +ATOM 3335 HZ2 LYS 211 47.020 52.830 19.410 1.00 0.00 H +ATOM 3336 HZ3 LYS 211 48.620 52.960 19.930 1.00 0.00 H +ATOM 3337 C LYS 211 45.690 46.410 22.890 1.00 0.00 C +ATOM 3338 O LYS 211 45.670 46.960 23.980 1.00 0.00 O +ATOM 3339 N TRP 212 44.530 45.800 22.470 1.00 0.00 N +ATOM 3340 HN TRP 212 44.420 45.510 21.522 1.00 0.00 H +ATOM 3341 CA TRP 212 43.360 45.650 23.310 1.00 0.00 C +ATOM 3342 HA TRP 212 43.170 46.608 23.770 1.00 0.00 H +ATOM 3343 CB TRP 212 42.040 45.160 22.590 1.00 0.00 C +ATOM 3344 HB1 TRP 212 41.242 45.320 23.348 1.00 0.00 H +ATOM 3345 HB2 TRP 212 41.762 45.826 21.744 1.00 0.00 H +ATOM 3346 CG TRP 212 41.920 43.830 22.000 1.00 0.00 C +ATOM 3347 CD1 TRP 212 42.070 43.450 20.690 1.00 0.00 C +ATOM 3348 HD1 TRP 212 42.310 44.142 19.898 1.00 0.00 H +ATOM 3349 NE1 TRP 212 41.720 42.120 20.550 1.00 0.00 N +ATOM 3350 HE1 TRP 212 41.810 41.490 19.810 1.00 0.00 H +ATOM 3351 CE2 TRP 212 41.490 41.600 21.780 1.00 0.00 C +ATOM 3352 CD2 TRP 212 41.660 42.660 22.720 1.00 0.00 C +ATOM 3353 CE3 TRP 212 41.310 42.380 24.070 1.00 0.00 C +ATOM 3354 HE3 TRP 212 41.340 43.210 24.760 1.00 0.00 H +ATOM 3355 CZ3 TRP 212 41.070 41.060 24.470 1.00 0.00 C +ATOM 3356 HZ3 TRP 212 40.940 40.810 25.512 1.00 0.00 H +ATOM 3357 CZ2 TRP 212 41.250 40.290 22.150 1.00 0.00 C +ATOM 3358 HZ2 TRP 212 41.110 39.436 21.506 1.00 0.00 H +ATOM 3359 CH2 TRP 212 41.010 40.040 23.520 1.00 0.00 C +ATOM 3360 HH2 TRP 212 40.700 39.058 23.840 1.00 0.00 H +ATOM 3361 C TRP 212 43.650 44.680 24.490 1.00 0.00 C +ATOM 3362 O TRP 212 43.270 44.930 25.620 1.00 0.00 O +ATOM 3363 N ARG 213 44.400 43.560 24.220 1.00 0.00 N +ATOM 3364 HN ARG 213 44.852 43.390 23.348 1.00 0.00 H +ATOM 3365 CA ARG 213 44.780 42.680 25.230 1.00 0.00 C +ATOM 3366 HA ARG 213 43.864 42.258 25.612 1.00 0.00 H +ATOM 3367 CB ARG 213 45.640 41.520 24.570 1.00 0.00 C +ATOM 3368 HB1 ARG 213 46.410 41.890 23.860 1.00 0.00 H +ATOM 3369 HB2 ARG 213 46.042 40.936 25.424 1.00 0.00 H +ATOM 3370 CG ARG 213 44.790 40.530 23.740 1.00 0.00 C +ATOM 3371 HG1 ARG 213 44.130 39.930 24.400 1.00 0.00 H +ATOM 3372 HG2 ARG 213 44.072 41.130 23.140 1.00 0.00 H +ATOM 3373 CD ARG 213 45.690 39.520 23.050 1.00 0.00 C +ATOM 3374 HD1 ARG 213 46.290 40.000 22.248 1.00 0.00 H +ATOM 3375 HD2 ARG 213 46.426 39.218 23.826 1.00 0.00 H +ATOM 3376 NE ARG 213 44.870 38.420 22.490 1.00 0.00 N +ATOM 3377 HE ARG 213 44.830 37.532 22.948 1.00 0.00 H +ATOM 3378 CZ ARG 213 44.070 38.490 21.390 1.00 0.00 C +ATOM 3379 NH1 ARG 213 44.080 39.470 20.600 1.00 0.00 N +ATOM 3380 1HH1 ARG 213 44.470 40.300 21.000 1.00 0.00 H +ATOM 3381 2HH1 ARG 213 43.344 39.430 19.924 1.00 0.00 H +ATOM 3382 NH2 ARG 213 43.350 37.410 21.090 1.00 0.00 N +ATOM 3383 1HH2 ARG 213 43.310 36.642 21.728 1.00 0.00 H +ATOM 3384 2HH2 ARG 213 43.190 37.140 20.140 1.00 0.00 H +ATOM 3385 C ARG 213 45.550 43.260 26.410 1.00 0.00 C +ATOM 3386 O ARG 213 45.200 43.020 27.540 1.00 0.00 O +ATOM 3387 N ALA 214 46.570 44.120 26.210 1.00 0.00 N +ATOM 3388 HN ALA 214 46.870 44.240 25.268 1.00 0.00 H +ATOM 3389 CA ALA 214 47.340 44.760 27.240 1.00 0.00 C +ATOM 3390 HA ALA 214 47.668 44.084 28.016 1.00 0.00 H +ATOM 3391 CB ALA 214 48.560 45.350 26.540 1.00 0.00 C +ATOM 3392 HB1 ALA 214 48.280 46.254 25.958 1.00 0.00 H +ATOM 3393 HB2 ALA 214 49.342 45.620 27.282 1.00 0.00 H +ATOM 3394 HB3 ALA 214 48.958 44.642 25.782 1.00 0.00 H +ATOM 3395 C ALA 214 46.540 45.840 28.000 1.00 0.00 C +ATOM 3396 O ALA 214 46.720 45.980 29.220 1.00 0.00 O +ATOM 3397 N GLU 215 45.670 46.560 27.280 1.00 0.00 N +ATOM 3398 HN GLU 215 45.800 46.430 26.300 1.00 0.00 H +ATOM 3399 CA GLU 215 44.730 47.440 27.850 1.00 0.00 C +ATOM 3400 HA GLU 215 45.170 48.200 28.480 1.00 0.00 H +ATOM 3401 CB GLU 215 44.000 48.170 26.720 1.00 0.00 C +ATOM 3402 HB1 GLU 215 44.758 48.600 26.032 1.00 0.00 H +ATOM 3403 HB2 GLU 215 43.490 47.410 26.090 1.00 0.00 H +ATOM 3404 CG GLU 215 43.050 49.290 27.200 1.00 0.00 C +ATOM 3405 HG1 GLU 215 42.558 49.882 26.398 1.00 0.00 H +ATOM 3406 HG2 GLU 215 42.236 48.908 27.852 1.00 0.00 H +ATOM 3407 CD GLU 215 43.730 50.410 27.940 1.00 0.00 C +ATOM 3408 OE1 GLU 215 44.770 50.910 27.460 1.00 0.00 O +ATOM 3409 OE2 GLU 215 43.220 50.780 29.000 1.00 0.00 O +ATOM 3410 C GLU 215 43.690 46.870 28.820 1.00 0.00 C +ATOM 3411 O GLU 215 43.360 47.520 29.820 1.00 0.00 O +ATOM 3412 N VAL 216 43.180 45.640 28.550 1.00 0.00 N +ATOM 3413 HN VAL 216 43.420 45.160 27.710 1.00 0.00 H +ATOM 3414 CA VAL 216 42.180 45.000 29.440 1.00 0.00 C +ATOM 3415 HA VAL 216 41.690 45.782 30.000 1.00 0.00 H +ATOM 3416 CB VAL 216 41.130 44.240 28.700 1.00 0.00 C +ATOM 3417 HB VAL 216 40.378 43.970 29.472 1.00 0.00 H +ATOM 3418 CG1 VAL 216 40.540 45.250 27.670 1.00 0.00 C +ATOM 3419 1HG1 VAL 216 39.620 44.800 27.240 1.00 0.00 H +ATOM 3420 2HG1 VAL 216 40.260 46.172 28.222 1.00 0.00 H +ATOM 3421 3HG1 VAL 216 41.220 45.540 26.840 1.00 0.00 H +ATOM 3422 CG2 VAL 216 41.520 42.950 28.000 1.00 0.00 C +ATOM 3423 1HG2 VAL 216 40.716 42.608 27.316 1.00 0.00 H +ATOM 3424 2HG2 VAL 216 42.402 43.130 27.348 1.00 0.00 H +ATOM 3425 3HG2 VAL 216 41.790 42.250 28.820 1.00 0.00 H +ATOM 3426 C VAL 216 42.820 44.180 30.540 1.00 0.00 C +ATOM 3427 O VAL 216 42.220 43.800 31.530 1.00 0.00 O +ATOM 3428 N THR 217 44.080 43.790 30.370 1.00 0.00 N +ATOM 3429 HN THR 217 44.658 43.998 29.584 1.00 0.00 H +ATOM 3430 CA THR 217 44.860 43.040 31.360 1.00 0.00 C +ATOM 3431 HA THR 217 44.470 42.038 31.460 1.00 0.00 H +ATOM 3432 CB THR 217 46.350 42.890 30.810 1.00 0.00 C +ATOM 3433 HB THR 217 46.590 43.852 30.310 1.00 0.00 H +ATOM 3434 OG1 THR 217 46.270 41.900 29.790 1.00 0.00 O +ATOM 3435 HG1 THR 217 45.848 42.302 29.028 1.00 0.00 H +ATOM 3436 CG2 THR 217 47.350 42.450 31.880 1.00 0.00 C +ATOM 3437 1HG2 THR 217 48.322 42.380 31.348 1.00 0.00 H +ATOM 3438 2HG2 THR 217 47.652 43.164 32.674 1.00 0.00 H +ATOM 3439 3HG2 THR 217 47.010 41.502 32.350 1.00 0.00 H +ATOM 3440 C THR 217 44.920 43.570 32.880 1.00 0.00 C +ATOM 3441 O THR 217 44.810 42.770 33.790 1.00 0.00 O +ATOM 3442 N PRO 218 45.090 44.890 33.280 1.00 0.00 N +ATOM 3443 CD PRO 218 45.700 45.960 32.510 1.00 0.00 C +ATOM 3444 HD1 PRO 218 44.920 46.400 31.850 1.00 0.00 H +ATOM 3445 HD2 PRO 218 46.472 45.470 31.878 1.00 0.00 H +ATOM 3446 CA PRO 218 44.980 45.270 34.680 1.00 0.00 C +ATOM 3447 HA PRO 218 45.678 44.722 35.298 1.00 0.00 H +ATOM 3448 CB PRO 218 45.440 46.730 34.680 1.00 0.00 C +ATOM 3449 HB1 PRO 218 44.580 47.420 34.550 1.00 0.00 H +ATOM 3450 HB2 PRO 218 45.918 47.030 35.638 1.00 0.00 H +ATOM 3451 CG PRO 218 46.380 46.920 33.480 1.00 0.00 C +ATOM 3452 HG1 PRO 218 46.440 47.970 33.120 1.00 0.00 H +ATOM 3453 HG2 PRO 218 47.408 46.578 33.722 1.00 0.00 H +ATOM 3454 C PRO 218 43.630 45.000 35.270 1.00 0.00 C +ATOM 3455 O PRO 218 43.620 44.400 36.350 1.00 0.00 O +ATOM 3456 N MET 219 42.480 45.310 34.570 1.00 0.00 N +ATOM 3457 HN MET 219 42.460 45.772 33.686 1.00 0.00 H +ATOM 3458 CA MET 219 41.150 45.160 35.080 1.00 0.00 C +ATOM 3459 HA MET 219 41.120 45.590 36.070 1.00 0.00 H +ATOM 3460 CB MET 219 40.040 45.860 34.260 1.00 0.00 C +ATOM 3461 HB1 MET 219 40.372 46.916 34.160 1.00 0.00 H +ATOM 3462 HB2 MET 219 39.828 45.548 33.216 1.00 0.00 H +ATOM 3463 CG MET 219 38.710 45.810 35.080 1.00 0.00 C +ATOM 3464 HG1 MET 219 38.030 46.410 34.440 1.00 0.00 H +ATOM 3465 HG2 MET 219 38.270 44.790 35.030 1.00 0.00 H +ATOM 3466 SD MET 219 38.770 46.410 36.840 1.00 0.00 S +ATOM 3467 CE MET 219 38.800 48.200 36.430 1.00 0.00 C +ATOM 3468 HE1 MET 219 37.850 48.490 35.930 1.00 0.00 H +ATOM 3469 HE2 MET 219 38.800 48.802 37.364 1.00 0.00 H +ATOM 3470 HE3 MET 219 39.606 48.542 35.746 1.00 0.00 H +ATOM 3471 C MET 219 40.810 43.680 35.250 1.00 0.00 C +ATOM 3472 O MET 219 40.210 43.380 36.270 1.00 0.00 O +ATOM 3473 N THR 220 41.100 42.840 34.230 1.00 0.00 N +ATOM 3474 HN THR 220 41.520 43.180 33.392 1.00 0.00 H +ATOM 3475 CA THR 220 40.850 41.400 34.340 1.00 0.00 C +ATOM 3476 HA THR 220 39.788 41.230 34.430 1.00 0.00 H +ATOM 3477 CB THR 220 41.490 40.670 33.180 1.00 0.00 C +ATOM 3478 HB THR 220 42.508 41.098 33.050 1.00 0.00 H +ATOM 3479 OG1 THR 220 40.770 40.980 32.040 1.00 0.00 O +ATOM 3480 HG1 THR 220 41.112 40.426 31.336 1.00 0.00 H +ATOM 3481 CG2 THR 220 41.540 39.120 33.290 1.00 0.00 C +ATOM 3482 1HG2 THR 220 42.240 38.730 34.060 1.00 0.00 H +ATOM 3483 2HG2 THR 220 40.540 38.830 33.680 1.00 0.00 H +ATOM 3484 3HG2 THR 220 41.810 38.580 32.358 1.00 0.00 H +ATOM 3485 C THR 220 41.410 40.770 35.620 1.00 0.00 C +ATOM 3486 O THR 220 40.840 39.910 36.270 1.00 0.00 O +ATOM 3487 N GLY 221 42.610 41.140 35.980 1.00 0.00 N +ATOM 3488 HN GLY 221 42.990 41.908 35.470 1.00 0.00 H +ATOM 3489 CA GLY 221 43.350 40.710 37.120 1.00 0.00 C +ATOM 3490 HA1 GLY 221 43.280 39.634 37.180 1.00 0.00 H +ATOM 3491 HA2 GLY 221 44.410 40.920 37.100 1.00 0.00 H +ATOM 3492 C GLY 221 42.730 41.100 38.370 1.00 0.00 C +ATOM 3493 O GLY 221 42.500 40.230 39.210 1.00 0.00 O +ATOM 3494 N LYS 222 42.370 42.400 38.540 1.00 0.00 N +ATOM 3495 HN LYS 222 42.600 43.050 37.820 1.00 0.00 H +ATOM 3496 CA LYS 222 41.660 43.010 39.640 1.00 0.00 C +ATOM 3497 HA LYS 222 42.168 42.820 40.576 1.00 0.00 H +ATOM 3498 CB LYS 222 41.500 44.530 39.380 1.00 0.00 C +ATOM 3499 HB1 LYS 222 42.534 44.902 39.220 1.00 0.00 H +ATOM 3500 HB2 LYS 222 40.890 44.650 38.460 1.00 0.00 H +ATOM 3501 CG LYS 222 40.960 45.430 40.530 1.00 0.00 C +ATOM 3502 HG1 LYS 222 41.500 45.000 41.400 1.00 0.00 H +ATOM 3503 HG2 LYS 222 41.250 46.490 40.360 1.00 0.00 H +ATOM 3504 CD LYS 222 39.480 45.280 40.710 1.00 0.00 C +ATOM 3505 HD1 LYS 222 38.946 45.410 39.744 1.00 0.00 H +ATOM 3506 HD2 LYS 222 39.250 44.266 41.102 1.00 0.00 H +ATOM 3507 CE LYS 222 39.010 46.400 41.700 1.00 0.00 C +ATOM 3508 HE1 LYS 222 39.560 46.320 42.662 1.00 0.00 H +ATOM 3509 HE2 LYS 222 38.990 47.392 41.200 1.00 0.00 H +ATOM 3510 NZ LYS 222 37.700 46.080 41.890 1.00 0.00 N +ATOM 3511 HZ1 LYS 222 37.334 46.874 42.456 1.00 0.00 H +ATOM 3512 HZ2 LYS 222 37.280 45.940 40.950 1.00 0.00 H +ATOM 3513 HZ3 LYS 222 37.540 45.200 42.420 1.00 0.00 H +ATOM 3514 C LYS 222 40.340 42.280 39.790 1.00 0.00 C +ATOM 3515 O LYS 222 40.010 41.860 40.870 1.00 0.00 O +ATOM 3516 N ARG 223 39.430 42.120 38.820 1.00 0.00 N +ATOM 3517 HN ARG 223 39.710 42.350 37.890 1.00 0.00 H +ATOM 3518 CA ARG 223 38.170 41.480 38.860 1.00 0.00 C +ATOM 3519 HA ARG 223 37.574 42.026 39.576 1.00 0.00 H +ATOM 3520 CB ARG 223 37.360 41.450 37.500 1.00 0.00 C +ATOM 3521 HB1 ARG 223 37.910 40.840 36.750 1.00 0.00 H +ATOM 3522 HB2 ARG 223 36.402 40.892 37.570 1.00 0.00 H +ATOM 3523 CG ARG 223 37.180 42.910 36.990 1.00 0.00 C +ATOM 3524 HG1 ARG 223 37.932 43.662 37.310 1.00 0.00 H +ATOM 3525 HG2 ARG 223 37.200 42.820 35.884 1.00 0.00 H +ATOM 3526 CD ARG 223 35.780 43.460 37.270 1.00 0.00 C +ATOM 3527 HD1 ARG 223 35.680 44.374 36.648 1.00 0.00 H +ATOM 3528 HD2 ARG 223 35.000 42.690 37.080 1.00 0.00 H +ATOM 3529 NE ARG 223 35.740 43.750 38.770 1.00 0.00 N +ATOM 3530 HE ARG 223 35.988 44.692 38.998 1.00 0.00 H +ATOM 3531 CZ ARG 223 35.100 43.070 39.630 1.00 0.00 C +ATOM 3532 NH1 ARG 223 34.670 41.850 39.430 1.00 0.00 N +ATOM 3533 1HH1 ARG 223 34.780 41.430 38.530 1.00 0.00 H +ATOM 3534 2HH1 ARG 223 34.118 41.510 40.192 1.00 0.00 H +ATOM 3535 NH2 ARG 223 34.720 43.750 40.740 1.00 0.00 N +ATOM 3536 1HH2 ARG 223 34.780 44.730 40.550 1.00 0.00 H +ATOM 3537 2HH2 ARG 223 34.050 43.340 41.360 1.00 0.00 H +ATOM 3538 C ARG 223 38.280 39.960 39.310 1.00 0.00 C +ATOM 3539 O ARG 223 37.470 39.610 40.120 1.00 0.00 O +ATOM 3540 N LEU 224 39.200 39.150 38.780 1.00 0.00 N +ATOM 3541 HN LEU 224 39.778 39.708 38.192 1.00 0.00 H +ATOM 3542 CA LEU 224 39.500 37.850 39.340 1.00 0.00 C +ATOM 3543 HA LEU 224 38.556 37.344 39.192 1.00 0.00 H +ATOM 3544 CB LEU 224 40.520 37.090 38.500 1.00 0.00 C +ATOM 3545 HB1 LEU 224 41.358 37.818 38.430 1.00 0.00 H +ATOM 3546 HB2 LEU 224 40.972 36.176 38.942 1.00 0.00 H +ATOM 3547 CG LEU 224 40.010 36.660 37.120 1.00 0.00 C +ATOM 3548 HG LEU 224 39.588 37.574 36.648 1.00 0.00 H +ATOM 3549 CD1 LEU 224 41.130 36.140 36.310 1.00 0.00 C +ATOM 3550 1HD1 LEU 224 40.770 35.710 35.350 1.00 0.00 H +ATOM 3551 2HD1 LEU 224 41.922 36.902 36.150 1.00 0.00 H +ATOM 3552 3HD1 LEU 224 41.632 35.268 36.782 1.00 0.00 H +ATOM 3553 CD2 LEU 224 39.010 35.550 37.220 1.00 0.00 C +ATOM 3554 1HD2 LEU 224 38.710 35.170 36.220 1.00 0.00 H +ATOM 3555 2HD2 LEU 224 39.542 34.768 37.802 1.00 0.00 H +ATOM 3556 3HD2 LEU 224 38.088 35.930 37.710 1.00 0.00 H +ATOM 3557 C LEU 224 39.840 37.700 40.830 1.00 0.00 C +ATOM 3558 O LEU 224 39.390 36.810 41.530 1.00 0.00 O +ATOM 3559 N MET 225 40.660 38.560 41.370 1.00 0.00 N +ATOM 3560 HN MET 225 40.990 39.210 40.690 1.00 0.00 H +ATOM 3561 CA MET 225 41.020 38.660 42.840 1.00 0.00 C +ATOM 3562 HA MET 225 41.352 37.674 43.132 1.00 0.00 H +ATOM 3563 CB MET 225 42.310 39.490 43.030 1.00 0.00 C +ATOM 3564 HB1 MET 225 42.070 40.538 42.750 1.00 0.00 H +ATOM 3565 HB2 MET 225 42.678 39.550 44.076 1.00 0.00 H +ATOM 3566 CG MET 225 43.510 38.900 42.240 1.00 0.00 C +ATOM 3567 HG1 MET 225 43.690 37.840 42.520 1.00 0.00 H +ATOM 3568 HG2 MET 225 43.210 38.860 41.170 1.00 0.00 H +ATOM 3569 SD MET 225 45.080 39.820 42.180 1.00 0.00 S +ATOM 3570 CE MET 225 45.640 39.370 43.860 1.00 0.00 C +ATOM 3571 HE1 MET 225 46.012 38.324 43.850 1.00 0.00 H +ATOM 3572 HE2 MET 225 46.474 40.034 44.178 1.00 0.00 H +ATOM 3573 HE3 MET 225 44.842 39.520 44.618 1.00 0.00 H +ATOM 3574 C MET 225 39.860 39.050 43.710 1.00 0.00 C +ATOM 3575 O MET 225 39.630 38.330 44.740 1.00 0.00 O +ATOM 3576 N ASP 226 39.040 40.020 43.290 1.00 0.00 N +ATOM 3577 HN ASP 226 39.320 40.660 42.580 1.00 0.00 H +ATOM 3578 CA ASP 226 37.790 40.170 43.900 1.00 0.00 C +ATOM 3579 HA ASP 226 37.830 40.390 44.956 1.00 0.00 H +ATOM 3580 CB ASP 226 37.010 41.430 43.270 1.00 0.00 C +ATOM 3581 HB1 ASP 226 37.030 41.370 42.160 1.00 0.00 H +ATOM 3582 HB2 ASP 226 35.956 41.380 43.618 1.00 0.00 H +ATOM 3583 CG ASP 226 37.730 42.670 43.680 1.00 0.00 C +ATOM 3584 OD1 ASP 226 38.640 42.600 44.590 1.00 0.00 O +ATOM 3585 OD2 ASP 226 37.390 43.760 43.200 1.00 0.00 O +ATOM 3586 C ASP 226 36.870 38.970 43.830 1.00 0.00 C +ATOM 3587 O ASP 226 36.220 38.530 44.790 1.00 0.00 O +ATOM 3588 N ALA 227 36.740 38.370 42.630 1.00 0.00 N +ATOM 3589 HN ALA 227 37.210 38.860 41.900 1.00 0.00 H +ATOM 3590 CA ALA 227 35.870 37.220 42.360 1.00 0.00 C +ATOM 3591 HA ALA 227 34.852 37.540 42.530 1.00 0.00 H +ATOM 3592 CB ALA 227 35.900 36.740 40.920 1.00 0.00 C +ATOM 3593 HB1 ALA 227 36.936 36.492 40.602 1.00 0.00 H +ATOM 3594 HB2 ALA 227 35.268 35.846 40.730 1.00 0.00 H +ATOM 3595 HB3 ALA 227 35.560 37.532 40.218 1.00 0.00 H +ATOM 3596 C ALA 227 36.200 36.040 43.300 1.00 0.00 C +ATOM 3597 O ALA 227 35.370 35.540 44.040 1.00 0.00 O +ATOM 3598 N GLN 228 37.490 35.710 43.400 1.00 0.00 N +ATOM 3599 HN GLN 228 38.138 36.088 42.742 1.00 0.00 H +ATOM 3600 CA GLN 228 38.000 34.730 44.280 1.00 0.00 C +ATOM 3601 HA GLN 228 37.628 33.796 43.888 1.00 0.00 H +ATOM 3602 CB GLN 228 39.530 34.730 44.240 1.00 0.00 C +ATOM 3603 HB1 GLN 228 39.710 35.826 44.220 1.00 0.00 H +ATOM 3604 HB2 GLN 228 39.912 34.288 45.184 1.00 0.00 H +ATOM 3605 CG GLN 228 40.070 34.170 42.920 1.00 0.00 C +ATOM 3606 HG1 GLN 228 40.030 33.078 42.720 1.00 0.00 H +ATOM 3607 HG2 GLN 228 39.578 34.592 42.018 1.00 0.00 H +ATOM 3608 CD GLN 228 41.580 34.460 42.730 1.00 0.00 C +ATOM 3609 OE1 GLN 228 42.410 33.750 43.240 1.00 0.00 O +ATOM 3610 NE2 GLN 228 41.950 35.490 41.960 1.00 0.00 N +ATOM 3611 1HE2 GLN 228 41.330 36.240 41.730 1.00 0.00 H +ATOM 3612 2HE2 GLN 228 42.896 35.682 41.698 1.00 0.00 H +ATOM 3613 C GLN 228 37.600 34.930 45.820 1.00 0.00 C +ATOM 3614 O GLN 228 37.190 33.940 46.460 1.00 0.00 O +ATOM 3615 N ARG 229 37.870 36.150 46.360 1.00 0.00 N +ATOM 3616 HN ARG 229 38.332 36.884 45.868 1.00 0.00 H +ATOM 3617 CA ARG 229 37.480 36.500 47.710 1.00 0.00 C +ATOM 3618 HA ARG 229 37.918 35.792 48.398 1.00 0.00 H +ATOM 3619 CB ARG 229 38.120 37.910 48.010 1.00 0.00 C +ATOM 3620 HB1 ARG 229 37.740 38.668 47.292 1.00 0.00 H +ATOM 3621 HB2 ARG 229 37.890 38.200 49.058 1.00 0.00 H +ATOM 3622 CG ARG 229 39.630 38.000 47.980 1.00 0.00 C +ATOM 3623 HG1 ARG 229 40.100 37.362 48.758 1.00 0.00 H +ATOM 3624 HG2 ARG 229 40.040 37.600 47.028 1.00 0.00 H +ATOM 3625 CD ARG 229 39.970 39.410 48.240 1.00 0.00 C +ATOM 3626 HD1 ARG 229 39.468 40.002 47.446 1.00 0.00 H +ATOM 3627 HD2 ARG 229 39.780 39.830 49.250 1.00 0.00 H +ATOM 3628 NE ARG 229 41.470 39.550 47.910 1.00 0.00 N +ATOM 3629 HE ARG 229 41.710 40.152 47.148 1.00 0.00 H +ATOM 3630 CZ ARG 229 42.510 39.150 48.570 1.00 0.00 C +ATOM 3631 NH1 ARG 229 42.520 38.450 49.670 1.00 0.00 N +ATOM 3632 1HH1 ARG 229 41.632 38.320 50.110 1.00 0.00 H +ATOM 3633 2HH1 ARG 229 43.348 37.982 49.980 1.00 0.00 H +ATOM 3634 NH2 ARG 229 43.680 39.350 48.040 1.00 0.00 N +ATOM 3635 1HH2 ARG 229 43.760 39.970 47.260 1.00 0.00 H +ATOM 3636 2HH2 ARG 229 44.448 39.070 48.618 1.00 0.00 H +ATOM 3637 C ARG 229 35.920 36.510 48.040 1.00 0.00 C +ATOM 3638 O ARG 229 35.560 35.990 49.090 1.00 0.00 O +ATOM 3639 N VAL 230 35.030 37.020 47.150 1.00 0.00 N +ATOM 3640 HN VAL 230 35.392 37.452 46.328 1.00 0.00 H +ATOM 3641 CA VAL 230 33.550 36.980 47.240 1.00 0.00 C +ATOM 3642 HA VAL 230 33.232 37.348 48.204 1.00 0.00 H +ATOM 3643 CB VAL 230 32.900 37.720 46.100 1.00 0.00 C +ATOM 3644 HB VAL 230 33.428 37.510 45.144 1.00 0.00 H +ATOM 3645 CG1 VAL 230 31.360 37.460 45.940 1.00 0.00 C +ATOM 3646 1HG1 VAL 230 31.000 38.108 45.112 1.00 0.00 H +ATOM 3647 2HG1 VAL 230 31.120 36.400 45.710 1.00 0.00 H +ATOM 3648 3HG1 VAL 230 30.928 37.832 46.894 1.00 0.00 H +ATOM 3649 CG2 VAL 230 33.090 39.250 46.260 1.00 0.00 C +ATOM 3650 1HG2 VAL 230 32.632 39.688 45.346 1.00 0.00 H +ATOM 3651 2HG2 VAL 230 32.560 39.690 47.130 1.00 0.00 H +ATOM 3652 3HG2 VAL 230 34.142 39.600 46.220 1.00 0.00 H +ATOM 3653 C VAL 230 33.170 35.550 47.200 1.00 0.00 C +ATOM 3654 O VAL 230 32.420 35.010 48.000 1.00 0.00 O +ATOM 3655 N THR 231 33.740 34.740 46.260 1.00 0.00 N +ATOM 3656 HN THR 231 34.260 35.140 45.510 1.00 0.00 H +ATOM 3657 CA THR 231 33.340 33.330 46.150 1.00 0.00 C +ATOM 3658 HA THR 231 32.290 33.170 45.960 1.00 0.00 H +ATOM 3659 CB THR 231 34.030 32.620 44.960 1.00 0.00 C +ATOM 3660 HB THR 231 35.122 32.490 45.120 1.00 0.00 H +ATOM 3661 OG1 THR 231 33.760 33.220 43.730 1.00 0.00 O +ATOM 3662 HG1 THR 231 34.220 34.062 43.770 1.00 0.00 H +ATOM 3663 CG2 THR 231 33.470 31.210 44.770 1.00 0.00 C +ATOM 3664 1HG2 THR 231 33.896 30.446 45.454 1.00 0.00 H +ATOM 3665 2HG2 THR 231 32.362 31.300 44.790 1.00 0.00 H +ATOM 3666 3HG2 THR 231 33.680 30.870 43.732 1.00 0.00 H +ATOM 3667 C THR 231 33.630 32.540 47.440 1.00 0.00 C +ATOM 3668 O THR 231 32.860 31.590 47.800 1.00 0.00 O +ATOM 3669 N ALA 232 34.730 32.880 48.160 1.00 0.00 N +ATOM 3670 HN ALA 232 35.382 33.532 47.780 1.00 0.00 H +ATOM 3671 CA ALA 232 35.190 32.140 49.320 1.00 0.00 C +ATOM 3672 HA ALA 232 35.210 31.092 49.060 1.00 0.00 H +ATOM 3673 CB ALA 232 36.580 32.680 49.730 1.00 0.00 C +ATOM 3674 HB1 ALA 232 36.900 32.370 50.748 1.00 0.00 H +ATOM 3675 HB2 ALA 232 37.230 32.200 48.968 1.00 0.00 H +ATOM 3676 HB3 ALA 232 36.740 33.752 49.490 1.00 0.00 H +ATOM 3677 C ALA 232 34.190 32.390 50.490 1.00 0.00 C +ATOM 3678 O ALA 232 33.730 31.450 51.110 1.00 0.00 O +ATOM 3679 N GLY 233 33.870 33.630 50.740 1.00 0.00 N +ATOM 3680 HN GLY 233 34.320 34.390 50.280 1.00 0.00 H +ATOM 3681 CA GLY 233 32.930 34.080 51.770 1.00 0.00 C +ATOM 3682 HA1 GLY 233 33.270 33.810 52.760 1.00 0.00 H +ATOM 3683 HA2 GLY 233 32.940 35.148 51.610 1.00 0.00 H +ATOM 3684 C GLY 233 31.520 33.530 51.500 1.00 0.00 C +ATOM 3685 O GLY 233 30.890 33.160 52.450 1.00 0.00 O +ATOM 3686 N TYR 234 31.110 33.360 50.250 1.00 0.00 N +ATOM 3687 HN TYR 234 31.620 33.730 49.478 1.00 0.00 H +ATOM 3688 CA TYR 234 29.830 32.770 49.850 1.00 0.00 C +ATOM 3689 HA TYR 234 29.020 33.140 50.460 1.00 0.00 H +ATOM 3690 CB TYR 234 29.510 33.270 48.430 1.00 0.00 C +ATOM 3691 HB1 TYR 234 29.410 34.358 48.632 1.00 0.00 H +ATOM 3692 HB2 TYR 234 30.320 33.150 47.680 1.00 0.00 H +ATOM 3693 CG TYR 234 28.220 32.800 47.810 1.00 0.00 C +ATOM 3694 CD1 TYR 234 27.080 33.560 47.880 1.00 0.00 C +ATOM 3695 HD1 TYR 234 27.150 34.476 48.448 1.00 0.00 H +ATOM 3696 CE1 TYR 234 25.910 33.230 47.250 1.00 0.00 C +ATOM 3697 HE1 TYR 234 25.052 33.880 47.340 1.00 0.00 H +ATOM 3698 CZ TYR 234 25.880 32.130 46.380 1.00 0.00 C +ATOM 3699 OH TYR 234 24.820 32.010 45.540 1.00 0.00 O +ATOM 3700 HH TYR 234 24.920 31.286 44.918 1.00 0.00 H +ATOM 3701 CD2 TYR 234 28.180 31.620 47.080 1.00 0.00 C +ATOM 3702 HD2 TYR 234 29.182 31.270 46.880 1.00 0.00 H +ATOM 3703 CE2 TYR 234 27.020 31.290 46.340 1.00 0.00 C +ATOM 3704 HE2 TYR 234 27.030 30.478 45.628 1.00 0.00 H +ATOM 3705 C TYR 234 29.650 31.270 50.040 1.00 0.00 C +ATOM 3706 O TYR 234 28.570 30.800 50.450 1.00 0.00 O +ATOM 3707 N ILE 235 30.780 30.540 49.800 1.00 0.00 N +ATOM 3708 HN ILE 235 31.566 30.968 49.362 1.00 0.00 H +ATOM 3709 CA ILE 235 31.070 29.160 50.200 1.00 0.00 C +ATOM 3710 HA ILE 235 30.298 28.528 49.788 1.00 0.00 H +ATOM 3711 CB ILE 235 32.360 28.600 49.610 1.00 0.00 C +ATOM 3712 HB ILE 235 33.140 29.390 49.610 1.00 0.00 H +ATOM 3713 CG2 ILE 235 32.840 27.380 50.400 1.00 0.00 C +ATOM 3714 1HG2 ILE 235 33.680 26.890 49.860 1.00 0.00 H +ATOM 3715 2HG2 ILE 235 33.150 27.600 51.444 1.00 0.00 H +ATOM 3716 3HG2 ILE 235 32.050 26.600 50.360 1.00 0.00 H +ATOM 3717 CG1 ILE 235 32.160 28.250 48.150 1.00 0.00 C +ATOM 3718 1HG1 ILE 235 31.318 27.528 48.220 1.00 0.00 H +ATOM 3719 2HG1 ILE 235 31.730 29.018 47.472 1.00 0.00 H +ATOM 3720 CD ILE 235 33.370 27.640 47.380 1.00 0.00 C +ATOM 3721 HD1 ILE 235 34.200 27.810 48.100 1.00 0.00 H +ATOM 3722 HD2 ILE 235 33.160 26.560 47.220 1.00 0.00 H +ATOM 3723 HD3 ILE 235 33.430 28.152 46.396 1.00 0.00 H +ATOM 3724 C ILE 235 30.990 29.070 51.730 1.00 0.00 C +ATOM 3725 O ILE 235 30.420 28.130 52.260 1.00 0.00 O +ATOM 3726 N GLN 236 31.520 30.050 52.500 1.00 0.00 N +ATOM 3727 HN GLN 236 32.050 30.790 52.090 1.00 0.00 H +ATOM 3728 CA GLN 236 31.550 29.940 53.960 1.00 0.00 C +ATOM 3729 HA GLN 236 31.912 28.946 54.180 1.00 0.00 H +ATOM 3730 CB GLN 236 32.460 31.020 54.510 1.00 0.00 C +ATOM 3731 HB1 GLN 236 33.382 31.110 53.898 1.00 0.00 H +ATOM 3732 HB2 GLN 236 32.050 32.050 54.450 1.00 0.00 H +ATOM 3733 CG GLN 236 32.870 30.860 55.990 1.00 0.00 C +ATOM 3734 HG1 GLN 236 33.440 31.772 56.270 1.00 0.00 H +ATOM 3735 HG2 GLN 236 31.978 30.910 56.652 1.00 0.00 H +ATOM 3736 CD GLN 236 33.770 29.730 56.490 1.00 0.00 C +ATOM 3737 OE1 GLN 236 33.910 29.650 57.700 1.00 0.00 O +ATOM 3738 NE2 GLN 236 34.320 28.910 55.560 1.00 0.00 N +ATOM 3739 1HE2 GLN 236 34.110 29.070 54.596 1.00 0.00 H +ATOM 3740 2HE2 GLN 236 35.104 28.306 55.700 1.00 0.00 H +ATOM 3741 C GLN 236 30.160 30.220 54.460 1.00 0.00 C +ATOM 3742 O GLN 236 29.730 29.690 55.460 1.00 0.00 O +ATOM 3743 N LEU 237 29.410 31.210 53.860 1.00 0.00 N +ATOM 3744 HN LEU 237 29.800 31.780 53.140 1.00 0.00 H +ATOM 3745 CA LEU 237 28.030 31.450 54.190 1.00 0.00 C +ATOM 3746 HA LEU 237 27.990 31.710 55.238 1.00 0.00 H +ATOM 3747 CB LEU 237 27.470 32.640 53.280 1.00 0.00 C +ATOM 3748 HB1 LEU 237 28.020 33.558 53.580 1.00 0.00 H +ATOM 3749 HB2 LEU 237 27.680 32.430 52.210 1.00 0.00 H +ATOM 3750 CG LEU 237 25.970 32.760 53.410 1.00 0.00 C +ATOM 3751 HG LEU 237 25.380 31.820 53.370 1.00 0.00 H +ATOM 3752 CD1 LEU 237 25.670 33.330 54.820 1.00 0.00 C +ATOM 3753 1HD1 LEU 237 25.700 32.530 55.590 1.00 0.00 H +ATOM 3754 2HD1 LEU 237 26.364 34.162 55.068 1.00 0.00 H +ATOM 3755 3HD1 LEU 237 24.618 33.650 54.980 1.00 0.00 H +ATOM 3756 CD2 LEU 237 25.350 33.780 52.450 1.00 0.00 C +ATOM 3757 1HD2 LEU 237 24.250 33.920 52.520 1.00 0.00 H +ATOM 3758 2HD2 LEU 237 25.808 34.786 52.560 1.00 0.00 H +ATOM 3759 3HD2 LEU 237 25.670 33.410 51.452 1.00 0.00 H +ATOM 3760 C LEU 237 27.140 30.230 53.940 1.00 0.00 C +ATOM 3761 O LEU 237 26.370 29.890 54.830 1.00 0.00 O +ATOM 3762 N TRP 238 27.350 29.470 52.870 1.00 0.00 N +ATOM 3763 HN TRP 238 27.986 29.798 52.174 1.00 0.00 H +ATOM 3764 CA TRP 238 26.580 28.250 52.590 1.00 0.00 C +ATOM 3765 HA TRP 238 25.534 28.512 52.570 1.00 0.00 H +ATOM 3766 CB TRP 238 26.900 27.680 51.190 1.00 0.00 C +ATOM 3767 HB1 TRP 238 26.680 28.530 50.510 1.00 0.00 H +ATOM 3768 HB2 TRP 238 28.000 27.570 51.080 1.00 0.00 H +ATOM 3769 CG TRP 238 26.200 26.500 50.680 1.00 0.00 C +ATOM 3770 CD1 TRP 238 25.040 26.700 50.010 1.00 0.00 C +ATOM 3771 HD1 TRP 238 24.638 27.664 49.738 1.00 0.00 H +ATOM 3772 NE1 TRP 238 24.610 25.490 49.560 1.00 0.00 N +ATOM 3773 HE1 TRP 238 23.724 25.260 49.222 1.00 0.00 H +ATOM 3774 CE2 TRP 238 25.510 24.490 49.910 1.00 0.00 C +ATOM 3775 CD2 TRP 238 26.450 25.070 50.790 1.00 0.00 C +ATOM 3776 CE3 TRP 238 27.310 24.270 51.510 1.00 0.00 C +ATOM 3777 HE3 TRP 238 27.858 24.768 52.296 1.00 0.00 H +ATOM 3778 CZ3 TRP 238 27.300 22.920 51.310 1.00 0.00 C +ATOM 3779 HZ3 TRP 238 28.038 22.252 51.728 1.00 0.00 H +ATOM 3780 CZ2 TRP 238 25.430 23.150 49.850 1.00 0.00 C +ATOM 3781 HZ2 TRP 238 24.602 22.702 49.322 1.00 0.00 H +ATOM 3782 CH2 TRP 238 26.360 22.380 50.490 1.00 0.00 C +ATOM 3783 HH2 TRP 238 26.420 21.334 50.228 1.00 0.00 H +ATOM 3784 C TRP 238 26.820 27.230 53.710 1.00 0.00 C +ATOM 3785 O TRP 238 25.910 26.760 54.440 1.00 0.00 O +ATOM 3786 N PHE 239 28.110 26.950 54.050 1.00 0.00 N +ATOM 3787 HN PHE 239 28.848 27.388 53.542 1.00 0.00 H +ATOM 3788 CA PHE 239 28.470 26.010 55.120 1.00 0.00 C +ATOM 3789 HA PHE 239 27.938 25.076 55.010 1.00 0.00 H +ATOM 3790 CB PHE 239 30.000 25.550 54.970 1.00 0.00 C +ATOM 3791 HB1 PHE 239 30.560 26.498 54.820 1.00 0.00 H +ATOM 3792 HB2 PHE 239 30.260 25.050 55.928 1.00 0.00 H +ATOM 3793 CG PHE 239 30.330 24.520 53.970 1.00 0.00 C +ATOM 3794 CD1 PHE 239 29.770 23.240 54.120 1.00 0.00 C +ATOM 3795 HD1 PHE 239 29.130 23.010 54.960 1.00 0.00 H +ATOM 3796 CE1 PHE 239 30.190 22.200 53.320 1.00 0.00 C +ATOM 3797 HE1 PHE 239 29.580 21.310 53.320 1.00 0.00 H +ATOM 3798 CZ PHE 239 31.170 22.380 52.310 1.00 0.00 C +ATOM 3799 HZ PHE 239 31.538 21.484 51.832 1.00 0.00 H +ATOM 3800 CD2 PHE 239 31.230 24.690 52.920 1.00 0.00 C +ATOM 3801 HD2 PHE 239 31.660 25.668 52.760 1.00 0.00 H +ATOM 3802 CE2 PHE 239 31.680 23.670 52.100 1.00 0.00 C +ATOM 3803 HE2 PHE 239 32.418 23.800 51.322 1.00 0.00 H +ATOM 3804 C PHE 239 27.940 26.400 56.490 1.00 0.00 C +ATOM 3805 O PHE 239 27.400 25.600 57.240 1.00 0.00 O +ATOM 3806 N ASP 240 27.960 27.700 56.830 1.00 0.00 N +ATOM 3807 HN ASP 240 28.478 28.368 56.302 1.00 0.00 H +ATOM 3808 CA ASP 240 27.310 28.250 58.070 1.00 0.00 C +ATOM 3809 HA ASP 240 27.568 27.702 58.966 1.00 0.00 H +ATOM 3810 CB ASP 240 27.790 29.700 58.340 1.00 0.00 C +ATOM 3811 HB1 ASP 240 27.760 30.196 57.346 1.00 0.00 H +ATOM 3812 HB2 ASP 240 27.278 30.454 58.974 1.00 0.00 H +ATOM 3813 CG ASP 240 29.210 29.840 58.820 1.00 0.00 C +ATOM 3814 OD1 ASP 240 29.670 28.760 59.310 1.00 0.00 O +ATOM 3815 OD2 ASP 240 29.840 30.930 58.900 1.00 0.00 O +ATOM 3816 C ASP 240 25.820 28.130 58.130 1.00 0.00 C +ATOM 3817 O ASP 240 25.230 27.630 59.090 1.00 0.00 O +ATOM 3818 N THR 241 25.150 28.440 56.980 1.00 0.00 N +ATOM 3819 HN THR 241 25.628 28.848 56.204 1.00 0.00 H +ATOM 3820 CA THR 241 23.670 28.380 56.810 1.00 0.00 C +ATOM 3821 HA THR 241 23.258 28.894 57.666 1.00 0.00 H +ATOM 3822 CB THR 241 23.210 29.120 55.520 1.00 0.00 C +ATOM 3823 HB THR 241 23.560 28.528 54.648 1.00 0.00 H +ATOM 3824 OG1 THR 241 23.620 30.460 55.380 1.00 0.00 O +ATOM 3825 HG1 THR 241 24.550 30.350 55.170 1.00 0.00 H +ATOM 3826 CG2 THR 241 21.650 29.210 55.340 1.00 0.00 C +ATOM 3827 1HG2 THR 241 21.390 29.570 54.320 1.00 0.00 H +ATOM 3828 2HG2 THR 241 21.328 28.164 55.532 1.00 0.00 H +ATOM 3829 3HG2 THR 241 21.198 29.792 56.172 1.00 0.00 H +ATOM 3830 C THR 241 23.230 26.940 56.750 1.00 0.00 C +ATOM 3831 O THR 241 22.170 26.510 57.230 1.00 0.00 O +ATOM 3832 N TYR 242 24.020 26.070 56.160 1.00 0.00 N +ATOM 3833 HN TYR 242 24.760 26.450 55.610 1.00 0.00 H +ATOM 3834 CA TYR 242 23.460 24.710 55.930 1.00 0.00 C +ATOM 3835 HA TYR 242 22.432 24.570 56.230 1.00 0.00 H +ATOM 3836 CB TYR 242 23.350 24.430 54.440 1.00 0.00 C +ATOM 3837 HB1 TYR 242 24.262 24.470 53.808 1.00 0.00 H +ATOM 3838 HB2 TYR 242 22.862 23.452 54.240 1.00 0.00 H +ATOM 3839 CG TYR 242 22.360 25.400 53.800 1.00 0.00 C +ATOM 3840 CD1 TYR 242 21.050 25.650 54.290 1.00 0.00 C +ATOM 3841 HD1 TYR 242 20.730 25.168 55.202 1.00 0.00 H +ATOM 3842 CE1 TYR 242 20.270 26.600 53.560 1.00 0.00 C +ATOM 3843 HE1 TYR 242 19.316 26.882 53.982 1.00 0.00 H +ATOM 3844 CZ TYR 242 20.780 27.200 52.400 1.00 0.00 C +ATOM 3845 OH TYR 242 19.960 28.090 51.740 1.00 0.00 O +ATOM 3846 HH TYR 242 19.080 27.950 52.100 1.00 0.00 H +ATOM 3847 CD2 TYR 242 22.810 26.000 52.620 1.00 0.00 C +ATOM 3848 HD2 TYR 242 23.840 25.840 52.340 1.00 0.00 H +ATOM 3849 CE2 TYR 242 22.020 26.800 51.840 1.00 0.00 C +ATOM 3850 HE2 TYR 242 22.452 27.282 50.976 1.00 0.00 H +ATOM 3851 C TYR 242 24.060 23.550 56.750 1.00 0.00 C +ATOM 3852 O TYR 242 23.500 22.440 56.850 1.00 0.00 O +ATOM 3853 N GLY 243 25.260 23.760 57.380 1.00 0.00 N +ATOM 3854 HN GLY 243 25.842 24.542 57.170 1.00 0.00 H +ATOM 3855 CA GLY 243 25.910 22.780 58.160 1.00 0.00 C +ATOM 3856 HA1 GLY 243 25.572 21.776 57.952 1.00 0.00 H +ATOM 3857 HA2 GLY 243 26.956 22.992 58.000 1.00 0.00 H +ATOM 3858 C GLY 243 25.650 23.010 59.630 1.00 0.00 C +ATOM 3859 O GLY 243 26.640 23.430 60.320 1.00 0.00 O +ATOM 3860 N ASP 244 24.440 22.670 60.130 1.00 0.00 N +ATOM 3861 HN ASP 244 23.678 22.440 59.530 1.00 0.00 H +ATOM 3862 CA ASP 244 24.170 22.410 61.470 1.00 0.00 C +ATOM 3863 HA ASP 244 23.166 22.028 61.370 1.00 0.00 H +ATOM 3864 CB ASP 244 24.910 21.070 61.900 1.00 0.00 C +ATOM 3865 HB1 ASP 244 26.000 21.220 62.050 1.00 0.00 H +ATOM 3866 HB2 ASP 244 24.480 20.720 62.862 1.00 0.00 H +ATOM 3867 CG ASP 244 24.690 19.950 60.950 1.00 0.00 C +ATOM 3868 OD1 ASP 244 23.650 19.950 60.270 1.00 0.00 O +ATOM 3869 OD2 ASP 244 25.370 18.910 61.080 1.00 0.00 O +ATOM 3870 C ASP 244 24.100 23.450 62.590 1.00 0.00 C +ATOM 3871 O ASP 244 24.110 23.110 63.800 1.00 0.00 O +ATOM 3872 N ARG 245 23.990 24.800 62.220 1.00 0.00 N +ATOM 3873 HN ARG 245 23.900 25.062 61.262 1.00 0.00 H +ATOM 3874 CA ARG 245 23.870 25.900 63.100 1.00 0.00 C +ATOM 3875 HA ARG 245 23.220 25.580 63.900 1.00 0.00 H +ATOM 3876 CB ARG 245 25.200 26.530 63.630 1.00 0.00 C +ATOM 3877 HB1 ARG 245 24.930 27.282 64.402 1.00 0.00 H +ATOM 3878 HB2 ARG 245 25.752 25.658 64.042 1.00 0.00 H +ATOM 3879 CG ARG 245 25.980 27.170 62.490 1.00 0.00 C +ATOM 3880 HG1 ARG 245 25.558 26.768 61.544 1.00 0.00 H +ATOM 3881 HG2 ARG 245 25.760 28.238 62.280 1.00 0.00 H +ATOM 3882 CD ARG 245 27.470 26.760 62.610 1.00 0.00 C +ATOM 3883 HD1 ARG 245 27.810 26.660 63.662 1.00 0.00 H +ATOM 3884 HD2 ARG 245 27.640 25.840 62.010 1.00 0.00 H +ATOM 3885 NE ARG 245 28.200 27.880 61.910 1.00 0.00 N +ATOM 3886 HE ARG 245 28.520 27.770 60.970 1.00 0.00 H +ATOM 3887 CZ ARG 245 28.530 29.110 62.530 1.00 0.00 C +ATOM 3888 NH1 ARG 245 28.150 29.410 63.740 1.00 0.00 N +ATOM 3889 1HH1 ARG 245 27.624 28.734 64.256 1.00 0.00 H +ATOM 3890 2HH1 ARG 245 28.150 30.376 63.992 1.00 0.00 H +ATOM 3891 NH2 ARG 245 29.210 29.960 61.830 1.00 0.00 N +ATOM 3892 1HH2 ARG 245 29.604 29.768 60.932 1.00 0.00 H +ATOM 3893 2HH2 ARG 245 29.040 30.908 62.100 1.00 0.00 H +ATOM 3894 C ARG 245 23.160 27.080 62.370 1.00 0.00 C +ATOM 3895 OT1 ARG 245 22.670 26.940 61.250 1.00 0.00 O +ATOM 3896 OT2 ARG 245 23.120 28.170 62.960 1.00 0.00 O +TER +ENDMDL diff --git 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0.04986414313316345, 0.050366174429655075, 0.05464963987469673, 0.05319518595933914, 0.04274186119437218, 0.047863349318504333, 0.036163944751024246, 0.03777360916137695, 0.04280579090118408, 0.04440606012940407, 0.04717888683080673, 0.02609632909297943, 0.05858827754855156, 0.050790246576070786, 0.03004802018404007, 0.04584358632564545, 0.05146845430135727, 0.039567168802022934, 0.03470978885889053, 0.045542243868112564, 0.05142106115818024, 0.05224252864718437, 0.07936417311429977, 0.11145134270191193, 0.14930342137813568, 0.21797531843185425 \ No newline at end of file diff --git a/Flexpert-Design/predict_example/compare_seqs.py b/Flexpert-Design/predict_example/compare_seqs.py new file mode 100644 index 0000000000000000000000000000000000000000..3468cace6e312a9ed0bdcf90e5bd022f29248c47 --- /dev/null +++ b/Flexpert-Design/predict_example/compare_seqs.py @@ -0,0 +1,59 @@ +# read in the predictions.txt file +# take the sequence from there +import argparse +import os +import biotite.structure.io.pdb as pdb +from biotite.structure import get_residues + +def compare_sequences(pdb_code): + # Read the predicted sequence from predictions.txt + with open('predict_example/predictions.txt', 'r') as f: + predictions = f.readlines() + # Extract the sequence (skip the header line that starts with '>') + predicted_seqs = {} + current_pdb = None + + for line in predictions: + if line.startswith('>'): + current_pdb = line.strip()[1:] # Remove the '>' character + elif current_pdb and line.strip(): + predicted_seqs[current_pdb] = line.strip() + + # Use the provided pdb_code to get the corresponding sequence + predicted_seq = predicted_seqs.get(pdb_code, "") + + # Read the PDB file + pdb_file = f'predict_example/{pdb_code}.pdb' + with open(pdb_file, 'r') as f: + structure = pdb.PDBFile.read(f) + atoms = pdb.get_structure(structure) + + # Get residue names from the structure + residues = get_residues(atoms)[1] + # Convert three-letter codes to one-letter codes + aa_dict = { + 'ALA': 'A', 'CYS': 'C', 'ASP': 'D', 'GLU': 'E', 'PHE': 'F', + 'GLY': 'G', 'HIS': 'H', 'ILE': 'I', 'LYS': 'K', 'LEU': 'L', + 'MET': 'M', 'ASN': 'N', 'PRO': 'P', 'GLN': 'Q', 'ARG': 'R', + 'SER': 'S', 'THR': 'T', 'VAL': 'V', 'TRP': 'W', 'TYR': 'Y' + } + pdb_seq = ''.join([aa_dict.get(res, 'X') for res in residues]) + + # Compare the two sequences + match_count = sum(1 for a, b in zip(predicted_seq, pdb_seq) if a == b) + total_length = max(len(predicted_seq), len(pdb_seq)) + percent_identity = (match_count / min(len(predicted_seq), len(pdb_seq))) * 100 + + # Print the result + print(f"Predicted sequence: {predicted_seq}") + print(f"PDB sequence: {pdb_seq}") + print(f"Sequence length - Predicted: {len(predicted_seq)}, PDB: {len(pdb_seq)}") + print(f"Matching residues: {match_count}/{min(len(predicted_seq), len(pdb_seq))}") + print(f"Percent identity: {percent_identity:.2f}%") + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description='Compare predicted sequence with PDB sequence') + parser.add_argument('--pdb_code', type=str, help='PDB code (e.g., 1ah7_A)') + args = parser.parse_args() + + compare_sequences(args.pdb_code) diff --git a/Flexpert-Design/predict_example/predictions.txt b/Flexpert-Design/predict_example/predictions.txt new file mode 100644 index 0000000000000000000000000000000000000000..8e6f15ec2f14729b69d8cb0027c7224929fba290 --- /dev/null +++ b/Flexpert-Design/predict_example/predictions.txt @@ -0,0 +1,2 @@ +>1ah7_A +GSSLDKTEVEESTGLRLVNQAIDILKNDKTRVDKEYLDLIEKYKPELQEGIYKAYHSEPYNDNGKFSRHYYNPVVHTSRIPDAVTAAETGSHYYNKAGEYYKKGDYEEAYFYLGIALAYLSDACNPMNASGYTNESFPEGFYEALQKYVCTIAKKYENTTGEPYYNLTGKNPKDHIRGAATKARELFSGIYHERVKEDFEKGKTSEEARLKWRERIEPQLGKLLLFAQRVMAGAIERFFDTAGGL diff --git a/Flexpert-Design/requirements.txt b/Flexpert-Design/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..9be85ea9dea9b8416a3cbfc956614360c7ce5832 --- /dev/null +++ b/Flexpert-Design/requirements.txt @@ -0,0 +1,23 @@ +Bio +biotite +fair-esm +evaluate +joblib +matplotlib +numpy +omegaconf +packaging +pandas +python_dateutil +pytorch_lightning +PyYAML +requests +safetensors +scikit_learn +scipy +torch +torch_geometric +torcheval +torchmetrics +tqdm +transformers diff --git a/Flexpert-Design/src/__init__.py b/Flexpert-Design/src/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..7f5e87f6419c8f984bf2beeb4820c3978d730bc2 --- /dev/null +++ b/Flexpert-Design/src/__init__.py @@ -0,0 +1,49 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +import warnings +from packaging.version import parse + +from .version import __version__ + + +def digit_version(version_str: str, length: int = 4): + """Convert a version string into a tuple of integers. + + This method is usually used for comparing two versions. For pre-release + versions: alpha < beta < rc. + + Args: + version_str (str): The version string. + length (int): The maximum number of version levels. Default: 4. + + Returns: + tuple[int]: The version info in digits (integers). + """ + version = parse(version_str) + assert version.release, f'failed to parse version {version_str}' + release = list(version.release) + release = release[:length] + if len(release) < length: + release = release + [0] * (length - len(release)) + if version.is_prerelease: + mapping = {'a': -3, 'b': -2, 'rc': -1} + val = -4 + # version.pre can be None + if version.pre: + if version.pre[0] not in mapping: + warnings.warn(f'unknown prerelease version {version.pre[0]}, ' + 'version checking may go wrong') + else: + val = mapping[version.pre[0]] + release.extend([val, version.pre[-1]]) + else: + release.extend([val, 0]) + + elif version.is_postrelease: + release.extend([1, version.post]) + else: + release.extend([0, 0]) + return tuple(release) + + +__all__ = ['__version__', 'digit_version'] diff --git a/Flexpert-Design/src/datasets/__init__.py b/Flexpert-Design/src/datasets/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..2f6b726fc7b5675cca9375644112dab7258d8c29 --- /dev/null +++ b/Flexpert-Design/src/datasets/__init__.py @@ -0,0 +1,15 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +from .alphafold_dataset import AlphaFoldDataset +from .cath_dataset import CATHDataset +from .dataloader import load_data +from .featurizer import (featurize_AF, featurize_GTrans, featurize_GVP, + featurize_ProteinMPNN, featurize_Inversefolding) +from .ts_dataset import TSDataset + +__all__ = [ + 'AlphaFoldDataset', 'CATHDataset', 'TSDataset', + 'load_data', + 'featurize_AF', 'featurize_GTrans', 'featurize_GVP', + 'featurize_ProteinMPNN', 'featurize_Inversefolding' +] \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/alphafold_dataset.py b/Flexpert-Design/src/datasets/alphafold_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..7debd121947df6031d0971e40ca238c038bcd29e --- /dev/null +++ b/Flexpert-Design/src/datasets/alphafold_dataset.py @@ -0,0 +1,112 @@ +import os +import os.path as osp +import json +import numpy as np +import pickle as cPickle + +import torch.utils.data as data +from src.datasets.utils import cached_property + + +class AlphaFoldDataset(data.Dataset): + def __init__(self, path='./', upid='', mode='train', max_length=500, limit_length=1, joint_data=0): + + self.path = path + self.upid = upid + self.max_length = max_length + self.limit_length = limit_length + self.joint_data = joint_data + + if mode in ['train', 'valid', 'test']: + self.data = self.cache_data[mode] + + if mode == 'all': + self.data = self.cache_data['train'] + self.cache_data['valid'] + self.cache_data['test'] + + self.lengths = np.array([ len(sample['seq']) for sample in self.data]) + self.max_len = np.max(self.lengths) + self.min_len = np.min(self.lengths) + + def _raw_data(self, path, upid): + if not os.path.exists(path): + raise "no such file:{} !!!".format(path) + else: + path = osp.join(path, upid) + data_ = cPickle.load(open(path+'/data_{}.pkl'.format(upid),'rb')) + score_ = cPickle.load(open(path+'/data_{}_score.pkl'.format(upid),'rb')) + for i in range(len(data_)): + data_[i]['score'] = score_[i]['res_score'] + return data_ + + def _data_info(self, data): + len_inds = [] + seq2ind = {} + for ind, temp in enumerate(data): + if self.limit_length: + if 30 < len(temp['seq']) and len(temp['seq']) < self.max_length: + # 'title', 'seq', 'CA', 'C', 'O', 'N' + len_inds.append(ind) + seq2ind[temp['seq']] = ind + else: + len_inds.append(ind) + seq2ind[temp['seq']] = ind + return len_inds, seq2ind + + def get_data(self, path, upid, **kwargs): + data_ = self._raw_data(path, upid) + path = osp.join(path, upid) + + file_name = 'split_clu_l.json' if self.limit_length else 'split_clu.json' + + assert os.path.exists(osp.join(path, file_name)) + split = json.load(open(osp.join(path, file_name),'r')) + data_dict = {'train':[data_[i] for i in split['train']], + 'valid':[data_[i] for i in split['valid']], + 'test':[data_[i] for i in split['test']]} + return data_dict + + def get_full_data(self, path, **kwargs): + datanames = [dataname for dataname in os.listdir(path) if ('_v2' in dataname)] + file_name = 'split_clu_l.json' if self.limit_length else 'split_clu.json' + assert os.path.exists(osp.join(path, 'full', file_name)) + split = json.load(open(osp.join(path, 'full', file_name),'r')) + return split + + @cached_property + def cache_data(self): # TODO: joint_data + path = self.path + upid = self.upid + if self.joint_data: + datanames = [dataname for dataname in os.listdir(path) if ('_v2' in dataname)] + data_dict = {'train':[], 'valid':[], 'test':[]} + full_inds = self.get_full_data(path) + + for dataname in datanames: + temp = self._raw_data(path, dataname) + train_idx, valid_idx, test_idx = map(lambda fold: full_inds[dataname][fold], ['train', 'valid', 'test']) + data_dict['train'] += [temp[i] for i in train_idx] + data_dict['valid'] += [temp[i] for i in valid_idx] + + data_test = [] + for i in test_idx: + item = temp[i] + item['category'] = dataname + data_test.append(temp[i]) + + data_dict['test'] += data_test + + else: + data_dict = self.get_data(path, upid) + for item in data_dict['test']: + item['category'] = upid + + return data_dict + + def change_mode(self, mode): + self.data = self.cache_data[mode] + + def __len__(self): + return len(self.data) + + def __getitem__(self, index): + return self.data[index] \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/atlas_dataset.py b/Flexpert-Design/src/datasets/atlas_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..8a7ae0d364fde454121f21cd42351e8d5faf0682 --- /dev/null +++ b/Flexpert-Design/src/datasets/atlas_dataset.py @@ -0,0 +1,133 @@ +import os +import json +import numpy as np +from tqdm import tqdm +import random +import pdb +import torch.utils.data as data +from .utils import cached_property +from transformers import AutoTokenizer + +class AtlasDataset(data.Dataset): + def __init__(self, path='./', split='train', max_length=500, test_name='All', data = None, removeTS=0): + self.path = path + self.mode = split + self.max_length = max_length + self.test_name = test_name + self.removeTS = removeTS + if self.removeTS: + self.remove = json.load(open(self.path+'/remove.json', 'r'))['remove'] + + if data is None: + if self.mode in ['eval','predict']: + self.data = self.cache_data['test'] #This calls the cache_data property + else: + self.data = self.cache_data[split] #This calls the cache_data property + else: + self.data = data + + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + + @cached_property + def cache_data(self): + alphabet='ACDEFGHIKLMNPQRSTVWY' + alphabet_set = set([a for a in alphabet]) + print("path is: ", self.path) + + if not os.path.exists(self.path): + raise "no such file:{} !!!".format(self.path) + else: + + with open(self.path+'/chain_set.jsonl') as f: + lines = f.readlines() + data_list = [] + + for line in tqdm(lines): + entry = json.loads(line) + + if self.removeTS and entry['name'] in self.remove: + continue + seq = entry['seq'] + + for key, val in entry['coords'].items(): + entry['coords'][key] = np.asarray(val) + + bad_chars = set([s for s in seq]).difference(alphabet_set) + + if len(bad_chars) == 0: + if len(entry['seq']) <= self.max_length: + chain_length = len(entry['seq']) + chain_mask = np.ones(chain_length) + data_list.append({ + 'title':entry['name'], + 'seq':entry['seq'], + 'CA':entry['coords']['CA'], + 'C':entry['coords']['C'], + 'O':entry['coords']['O'], + 'N':entry['coords']['N'], + 'chain_mask': chain_mask, + 'chain_encoding': 1*chain_mask + }) + + with open(self.path+'/chain_set_splits.json') as f: + dataset_splits = json.load(f) + + if self.test_name == 'L100': + with open(self.path+'/test_split_L100.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + if self.test_name == 'sc': + with open(self.path+'/test_split_sc.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + name2set = {} + name2set.update({name:'train' for name in dataset_splits['train']}) + name2set.update({name:'valid' for name in dataset_splits['validation']}) + name2set.update({name:'test' for name in dataset_splits['test']}) + + data_dict = {'train':[],'valid':[],'test':[]} + for data in data_list: + #raise ValueError("only 1015 sequences get loaded to the predict set!!! why not whole 1390??? FIX!") + if name2set.get(data['title']): #This was causing the trouble with empty datasets - missmatch of names in the chain_set and chain_set_split + if name2set[data['title']] == 'train': + data_dict['train'].append(data) + + if name2set[data['title']] == 'valid': + data_dict['valid'].append(data) + + if name2set[data['title']] == 'test': + data['category'] = 'Unkown' + data['score'] = 100.0 + data_dict['test'].append(data) + else: + import pdb; pdb.set_trace() + return data_dict + + def change_mode(self, mode): + self.data = self.cache_data[mode] + + def __len__(self): + return len(self.data) + + def get_item(self, index): + return self.data[index] + + def __getitem__(self, index): + item = self.data[index] + L = len(item['seq']) + if L>self.max_length: + # 计算截断的最大索引 + max_index = L - self.max_length + # 生成随机的截断索引 + truncate_index = random.randint(0, max_index) + # 进行截断 + item['seq'] = item['seq'][truncate_index:truncate_index+self.max_length] + item['CA'] = item['CA'][truncate_index:truncate_index+self.max_length] + item['C'] = item['C'][truncate_index:truncate_index+self.max_length] + item['O'] = item['O'][truncate_index:truncate_index+self.max_length] + item['N'] = item['N'][truncate_index:truncate_index+self.max_length] + item['chain_mask'] = item['chain_mask'][truncate_index:truncate_index+self.max_length] + item['chain_encoding'] = item['chain_encoding'][truncate_index:truncate_index+self.max_length] + return item \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/casp_dataset.py b/Flexpert-Design/src/datasets/casp_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..d174efa90879c677ab9607157c31f7d38c150897 --- /dev/null +++ b/Flexpert-Design/src/datasets/casp_dataset.py @@ -0,0 +1,57 @@ +import os +import json +import numpy as np +import torch.utils.data as data + + +class CASPDataset(data.Dataset): + def __init__(self, path = './', split='test'): + if not os.path.exists(path): + raise "no such file:{} !!!".format(path) + else: + with open(os.path.join(path,'casp15.jsonl')) as f: + lines = f.readlines() + + # casp15_data = json.load(open(path+'casp15.json', 'r')) + + alphabet='ACDEFGHIKLMNPQRSTVWY' + alphabet_set = set([a for a in alphabet]) + + self.data = [] + for line in lines: + entry = json.loads(line) + seq = entry['seq'] + + for key, val in entry['coords'].items(): + entry['coords'][key] = np.asarray(val) + + bad_chars = set([s for s in seq]).difference(alphabet_set) + + if len(bad_chars) == 0: + chain_length = len(entry['seq']) + chain_mask = np.ones(chain_length) + self.data.append({ + 'title':entry['name'], + 'seq':entry['seq'], + 'CA':entry['coords']['CA'], + 'C':entry['coords']['C'], + 'O':entry['coords']['O'], + 'N':entry['coords']['N'], + 'chain_mask': chain_mask, + 'chain_encoding': 1*chain_mask, + 'classification': entry['classification'] + }) + + def __len__(self): + return len(self.data) + + def get_item(self, index): + return self.data[index] + + def __getitem__(self, index): + return self.data[index] + +if __name__ == '__main__': + dataset = CASPDataset('/gaozhangyang/experiments/OpenCPD/data/casp15/') + for data in dataset: + print(data) \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/cath_dataset.py b/Flexpert-Design/src/datasets/cath_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..b09ffc9b5c95d40dd44f06b0237b92bd44035f48 --- /dev/null +++ b/Flexpert-Design/src/datasets/cath_dataset.py @@ -0,0 +1,141 @@ +import os +import json +import numpy as np +from tqdm import tqdm +import random +import torch.utils.data as data +from .utils import cached_property +from transformers import AutoTokenizer +from src.tools.utils import load_yaml_config + +class CATHDataset(data.Dataset): + def __init__(self, path='./', split='train', max_length=500, test_name='All', data = None, removeTS=0, version=4.2, data_jsonl_name='/chain_set.jsonl'): + self.version = version + self.path = path + self.mode = split + self.max_length = max_length + self.test_name = test_name + self.removeTS = removeTS + self.data_jsonl_name = data_jsonl_name + + self.using_dynamics = data_jsonl_name == load_yaml_config('/scratch/project/fta-24-31/koubapet/ProteinInvBench/src/models/configs/FlexibilityProtTrans.yaml')['data_jsonl_name'] + + print(self.data_jsonl_name) + if self.removeTS: + self.remove = json.load(open(self.path+'/remove.json', 'r'))['remove'] + + if data is None: + if split == 'predict': + _split = 'valid' + print('In predict mode for CATH4.3 using VALIDATION split as the data. Consider switching to TEST set.') + else: + _split = split + self.data = self.cache_data[_split] + else: + self.data = data + + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + + @cached_property + def cache_data(self): + alphabet='ACDEFGHIKLMNPQRSTVWY' + alphabet_set = set([a for a in alphabet]) + print("path is: ", self.path) + if not os.path.exists(self.path): + raise "no such file:{} !!!".format(self.path) + else: + with open(self.path+'/'+self.data_jsonl_name) as f: + lines = f.readlines() + data_list = [] + for line in tqdm(lines): + entry = json.loads(line) + if self.removeTS and entry['name'] in self.remove: + continue + seq = entry['seq'] + + for key, val in entry['coords'].items(): + entry['coords'][key] = np.asarray(val) + + bad_chars = set([s for s in seq]).difference(alphabet_set) + + if len(bad_chars) == 0: + if len(entry['seq']) <= self.max_length: + chain_length = len(entry['seq']) + chain_mask = np.ones(chain_length) + data_list.append({ + 'title':entry['name'], + 'seq':entry['seq'], + 'CA':entry['coords']['CA'], + 'C':entry['coords']['C'], + 'O':entry['coords']['O'], + 'N':entry['coords']['N'], + 'chain_mask': chain_mask, + 'chain_encoding': 1*chain_mask + }) + if self.using_dynamics: #TODO: pass this bool properly + data_list[-1]['norm_bfactors'] = entry['bfactor'] + + if self.version==4.2: + with open(self.path+'/chain_set_splits.json') as f: + dataset_splits = json.load(f) + + if self.version==4.3: + with open(self.path+'/chain_set_splits.json') as f: + dataset_splits = json.load(f) + + if self.test_name == 'L100': + with open(self.path+'/test_split_L100.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + if self.test_name == 'sc': + with open(self.path+'/test_split_sc.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + name2set = {} + name2set.update({name:'train' for name in dataset_splits['train']}) + name2set.update({name:'valid' for name in dataset_splits['validation']}) + name2set.update({name:'test' for name in dataset_splits['test']}) + + data_dict = {'train':[],'valid':[],'test':[]} + for data in data_list: + if name2set.get(data['title']): + if name2set[data['title']] == 'train': + data_dict['train'].append(data) + + if name2set[data['title']] == 'valid': + data_dict['valid'].append(data) + + if name2set[data['title']] == 'test': + data['category'] = 'Unkown' + data['score'] = 100.0 + data_dict['test'].append(data) + return data_dict + + def change_mode(self, mode): + self.data = self.cache_data[mode] + + def __len__(self): + return len(self.data) + + def get_item(self, index): + return self.data[index] + + def __getitem__(self, index): + item = self.data[index] + L = len(item['seq']) + if L>self.max_length: + # 计算截断的最大索引 + max_index = L - self.max_length + # 生成随机的截断索引 + truncate_index = random.randint(0, max_index) + # 进行截断 + item['seq'] = item['seq'][truncate_index:truncate_index+self.max_length] + item['CA'] = item['CA'][truncate_index:truncate_index+self.max_length] + item['C'] = item['C'][truncate_index:truncate_index+self.max_length] + item['O'] = item['O'][truncate_index:truncate_index+self.max_length] + item['N'] = item['N'][truncate_index:truncate_index+self.max_length] + item['chain_mask'] = item['chain_mask'][truncate_index:truncate_index+self.max_length] + item['chain_encoding'] = item['chain_encoding'][truncate_index:truncate_index+self.max_length] + return item \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/dataloader.py b/Flexpert-Design/src/datasets/dataloader.py new file mode 100644 index 0000000000000000000000000000000000000000..14f6ab222c9aaa3955d23407be3b9135635a744b --- /dev/null +++ b/Flexpert-Design/src/datasets/dataloader.py @@ -0,0 +1,161 @@ +import copy +import random +import os.path as osp + +import torch +import torch.utils.data as data +import pdb + +from .cath_dataset import CATHDataset +from .alphafold_dataset import AlphaFoldDataset +from .ts_dataset import TSDataset +from .casp_dataset import CASPDataset +from .mpnn_dataset import MPNNDataset +from .featurizer import (featurize_AF, featurize_GTrans, featurize_GVP, + featurize_ProteinMPNN, featurize_Inversefolding) +from .fast_dataloader import DataLoaderX + +class GTransDataLoader(torch.utils.data.DataLoader): + def __init__(self, dataset, batch_size=1, shuffle=False, sampler=None, batch_sampler=None, num_workers=0, + collate_fn=None, **kwargs): + super(GTransDataLoader, self).__init__(dataset, batch_size, shuffle, sampler, batch_sampler, num_workers, collate_fn,**kwargs) + self.featurizer = collate_fn + + +class BatchSampler(data.Sampler): + ''' + From https://github.com/jingraham/neurips19-graph-protein-design. + + A `torch.utils.data.Sampler` which samples batches according to a + maximum number of graph nodes. + + :param node_counts: array of node counts in the dataset to sample from + :param max_nodes: the maximum number of nodes in any batch, + including batches of a single element + :param shuffle: if `True`, batches in shuffled order + ''' + def __init__(self, node_counts, max_nodes=3000, shuffle=True): + self.node_counts = node_counts + self.idx = [i for i in range(len(node_counts)) + if node_counts[i] <= max_nodes] + self.shuffle = shuffle + self.max_nodes = max_nodes + self._form_batches() + + def _form_batches(self): + self.batches = [] + if self.shuffle: random.shuffle(self.idx) + idx = self.idx + while idx: + batch = [] + n_nodes = 0 + while idx and n_nodes + self.node_counts[idx[0]] <= self.max_nodes: + next_idx, idx = idx[0], idx[1:] + n_nodes += self.node_counts[next_idx] + batch.append(next_idx) + self.batches.append(batch) + + def __len__(self): + if not self.batches: self._form_batches() + return len(self.batches) + + def __iter__(self): + if not self.batches: + self._form_batches() + for batch in self.batches: + yield batch + + +class GVPDataLoader(torch.utils.data.DataLoader): + def __init__(self, dataset, num_workers=0, + featurizer=None, max_nodes=3000, **kwargs): + super(GVPDataLoader, self).__init__(dataset, + batch_sampler = BatchSampler(node_counts = [ len(data['seq']) for data in dataset], max_nodes=max_nodes), + num_workers = num_workers, + collate_fn = featurizer.collate, + **kwargs) + self.featurizer = featurizer + + +def load_data(data_name, method, batch_size, data_root, pdb_path, split_csv, max_nodes=3000, num_workers=8, removeTS=0, test_casp=False, **kwargs): + if data_name == 'CATH4.2' or data_name == 'TS': + cath_set = CATHDataset(osp.join(data_root, 'cath4.2'), mode='train', test_name='All', removeTS=removeTS) + train_set, valid_set, test_set = map(lambda x: copy.copy(x), [cath_set] * 3) + valid_set.change_mode('valid') + test_set.change_mode('test') + if data_name == 'TS': + test_set = TSDataset(osp.join(data_root, 'ts')) + + collate_fn = featurize_GTrans + elif data_name == 'CATH4.3': + cath_set = CATHDataset(osp.join(data_root, 'cath4.3'), mode='train', test_name='All', removeTS=removeTS, version=4.3) + train_set, valid_set, test_set = map(lambda x: copy.copy(x), [cath_set] * 3) + valid_set.change_mode('valid') + test_set.change_mode('test') + + collate_fn = featurize_GTrans + elif data_name == 'AlphaFold': + af_set = AlphaFoldDataset(osp.join(data_root, 'af2db'), upid=upid, mode='train', limit_length=limit_length, joint_data=joint_data) + train_set, valid_set, test_set = map(lambda x: copy.copy(x), [af_set] * 3) + valid_set.change_mode('valid') + test_set.change_mode('test') + collate_fn = featurize_AF + elif data_name=='MPNN': + train_set = MPNNDataset(mode='train') + valid_set = MPNNDataset(mode='valid') + test_set = MPNNDataset(mode='test') + collate_fn = featurize_GTrans + + elif data_name == 'S350': + cath_set = CATHDataset(osp.join(data_root, 's350'), mode='train', test_name='All', removeTS=removeTS, version=4.3) + train_set, valid_set, test_set = map(lambda x: copy.copy(x), [cath_set] * 3) + valid_set.change_mode('train') + test_set.change_mode('train') + + collate_fn = featurize_GTrans + + elif data_name == 'Protherm': + cath_set = CATHDataset(osp.join(data_root, 'protherm'), mode='train', test_name='All', removeTS=removeTS, version=4.3) + train_set, valid_set, test_set = map(lambda x: copy.copy(x), [cath_set] * 3) + valid_set.change_mode('valid') + test_set.change_mode('test') + + collate_fn = featurize_GTrans + if test_casp: + test_set = CASPDataset(osp.join(data_root, 'casp15')) + + if method in ['AlphaDesign', 'PiFold', 'KWDesign', 'GraphTrans', 'StructGNN']: + pass + elif method == 'GVP': + featurizer = featurize_GVP() + collate_fn = featurizer.collate + elif method == 'ProteinMPNN': + collate_fn = featurize_ProteinMPNN + elif method == 'ESMIF': + collate_fn = featurize_Inversefolding + + # train_set.data = train_set.data[:100] + # valid_set.data = valid_set.data[:100] + # test_set.data = test_set.data[:100] + pdb.set_trace() + train_loader = DataLoaderX(local_rank=0, dataset=train_set, batch_size=batch_size, shuffle=True, num_workers=num_workers, collate_fn=collate_fn, prefetch_factor=8) + valid_loader = DataLoaderX(local_rank=0,dataset=valid_set, batch_size=batch_size, shuffle=False, num_workers=num_workers, collate_fn=collate_fn, prefetch_factor=8) + test_loader = DataLoaderX(local_rank=0,dataset=test_set, batch_size=batch_size, shuffle=False, num_workers=num_workers, collate_fn=collate_fn, prefetch_factor=8) + + return train_loader, valid_loader, test_loader + + +def make_cath_loader(test_set, method, batch_size, max_nodes=3000, num_workers=8): + if method in ['pifold','adesign', 'graphtrans', 'structgnn', 'gca']: + collate_fn = featurize_GTrans + test_loader = GTransDataLoader(test_set, batch_size=batch_size, shuffle=False, num_workers=num_workers, collate_fn=collate_fn) + elif method == 'gvp': + featurizer = featurize_GVP() + test_loader = GVPDataLoader(test_set, num_workers=num_workers, featurizer=featurizer, max_nodes=max_nodes) + elif method == 'proteinmpnn': + collate_fn = featurize_ProteinMPNN + test_loader = GTransDataLoader(test_set, batch_size=batch_size, shuffle=False, num_workers=num_workers, collate_fn=collate_fn) + elif method == 'esmif': + collate_fn = featurize_Inversefolding + test_loader = GTransDataLoader(test_set, batch_size=batch_size, shuffle=False, num_workers=num_workers, collate_fn=collate_fn) + return test_loader diff --git a/Flexpert-Design/src/datasets/fast_dataloader.py b/Flexpert-Design/src/datasets/fast_dataloader.py new file mode 100644 index 0000000000000000000000000000000000000000..1bff1b6c16f6bdfce749945d7a187280298196e4 --- /dev/null +++ b/Flexpert-Design/src/datasets/fast_dataloader.py @@ -0,0 +1,52 @@ +import threading +import torch +import queue +from torch.utils.data import DataLoader + + +class DataLoaderX(DataLoader): + def __init__(self, local_rank, **kwargs): + super().__init__(**kwargs) + self.stream = torch.cuda.Stream( + local_rank + ) # create a new cuda stream in each process + self.local_rank = local_rank + # self.custom_collect_fn = custom_collect_fn + + def __iter__(self): + self.iter = super().__iter__() + self.preload() + return self + + + def preload(self): + while True: + #获取下一个值 + self.batch = next(self.iter, None) + if self.batch is not None: + break + if self.iter._send_idx==len(self.iter): + break + + if (self.batch is None): + return None + + with torch.cuda.stream(self.stream): # 将数据预先放进gpu + for key, val in self.batch.items(): + if type(val) == torch.Tensor: + self.batch[key] = val.to( + device=self.local_rank, non_blocking=True + ) + + + def __next__(self): + torch.cuda.current_stream().wait_stream( + self.stream + ) # wait tensor to put on GPU + batch = self.batch + # batch = self.custom_collect_fn(self.batch) + if batch is None: + raise StopIteration + self.preload() + return batch + diff --git a/Flexpert-Design/src/datasets/featurizer.py b/Flexpert-Design/src/datasets/featurizer.py new file mode 100644 index 0000000000000000000000000000000000000000..ead9840f2a6f532f748f1ca9a92ed8645ee80196 --- /dev/null +++ b/Flexpert-Design/src/datasets/featurizer.py @@ -0,0 +1,743 @@ +import torch +import numpy as np +import itertools +import torch.nn.functional as F +import math +import torch_geometric +# import torch_cluster +from collections.abc import Mapping, Sequence +from torch_geometric.data import Data, Batch +from torch.utils.data.dataloader import default_collate +from transformers import AutoTokenizer +import pdb +tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir='./cache_dir/') # mask token: 32 + +def _normalize(tensor, dim=-1): + ''' + Normalizes a `torch.Tensor` along dimension `dim` without `nan`s. + ''' + return torch.nan_to_num( + torch.div(tensor, torch.norm(tensor, dim=dim, keepdim=True))) + + +def _rbf(D, D_min=0., D_max=20., D_count=16, device='cpu'): + ''' + From https://github.com/jingraham/neurips19-graph-protein-design + + Returns an RBF embedding of `torch.Tensor` `D` along a new axis=-1. + That is, if `D` has shape [...dims], then the returned tensor will have + shape [...dims, D_count]. + ''' + D_mu = torch.linspace(D_min, D_max, D_count, device=device) + D_mu = D_mu.view([1, -1]) + D_sigma = (D_max - D_min) / D_count + D_expand = torch.unsqueeze(D, -1) + + RBF = torch.exp(-((D_expand - D_mu) / D_sigma) ** 2) + return RBF + +def shuffle_subset(n, p): + n_shuffle = np.random.binomial(n, p) + ix = np.arange(n) + ix_subset = np.random.choice(ix, size=n_shuffle, replace=False) + ix_subset_shuffled = np.copy(ix_subset) + np.random.shuffle(ix_subset_shuffled) + ix[ix_subset] = ix_subset_shuffled + return ix + + +def featurize_AF(batch, shuffle_fraction=0.): + """ Pack and pad batch into torch tensors """ + alphabet = 'ACDEFGHIKLMNPQRSTVWY' + B = len(batch) + lengths = np.array([len(b['seq']) for b in batch], dtype=np.int32) + L_max = max([len(b['seq']) for b in batch]) + X = np.zeros([B, L_max, 4, 3]) + S = np.zeros([B, L_max], dtype=np.int32) + score = np.zeros([B, L_max]) + + # Build the batch + for i, b in enumerate(batch): + x = np.stack([b[c] for c in ['N', 'CA', 'C', 'O']], 1) # [#atom, 4, 3] + + l = len(b['seq']) + x_pad = np.pad(x, [[0,L_max-l], [0,0], [0,0]], 'constant', constant_values=(np.nan, )) # [#atom, 4, 3] + X[i,:,:,:] = x_pad + + # Convert to labels + indices = np.asarray([alphabet.index(a) for a in b['seq']], dtype=np.int32) + if shuffle_fraction > 0.: + idx_shuffle = shuffle_subset(l, shuffle_fraction) + S[i, :l] = indices[idx_shuffle] + score[i,:l] = b['score'][idx_shuffle] + else: + S[i, :l] = indices + score[i,:l] = b['score'] + + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) # atom mask + numbers = np.sum(mask, axis=1).astype(np.int) + S_new = np.zeros_like(S) + score_new = np.zeros_like(score) + X_new = np.zeros_like(X)+np.nan + for i, n in enumerate(numbers): + X_new[i,:n,::] = X[i][mask[i]==1] + S_new[i,:n] = S[i][mask[i]==1] + score_new[i,:n] = score[i][mask[i]==1] + + X = X_new + S = S_new + score = score_new + isnan = np.isnan(X) + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) + X[isnan] = 0. + # Conversion + S = torch.from_numpy(S).to(dtype=torch.long) + score = torch.from_numpy(score).float() + X = torch.from_numpy(X).to(dtype=torch.float32) + mask = torch.from_numpy(mask).to(dtype=torch.float32) + return X, S, score, mask, lengths + + +def featurize_GTrans(batch): + """ Pack and pad batch into torch tensors """ + # alphabet = 'ACDEFGHIKLMNPQRSTVWYX' + batch = [one for one in batch if one is not None] + B = len(batch) + if B==0: + return None + lengths = np.array([len(b['seq']) for b in batch], dtype=np.int32) + L_max = max([len(b['seq']) for b in batch]) + X = np.zeros([B, L_max, 4, 3]) + S = np.zeros([B, L_max], dtype=np.int32) + score = np.ones([B, L_max]) * 100.0 + chain_mask = np.zeros([B, L_max])-1 # 1:需要被预测的掩码部分 0:可见部分 + chain_encoding = np.zeros([B, L_max])-1 + + + # Build the batch + for i, b in enumerate(batch): + x = np.stack([b[c] for c in ['N', 'CA', 'C', 'O']], 1) # [#atom, 4, 3] + + l = len(b['seq']) + x_pad = np.pad(x, [[0,L_max-l], [0,0], [0,0]], 'constant', constant_values=(np.nan, )) # [#atom, 4, 3] + X[i,:,:,:] = x_pad + + # Convert to labels + indices = np.array(tokenizer.encode(b['seq'], add_special_tokens=False)) + # indices = np.asarray([alphabet.index(a) for a in b['seq']], dtype=np.int32) + + + S[i, :l] = indices + chain_mask[i,:l] = b['chain_mask'] + chain_encoding[i,:l] = b['chain_encoding'] + + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) # atom mask + numbers = np.sum(mask, axis=1).astype(np.int32) + S_new = np.zeros_like(S) + X_new = np.zeros_like(X)+np.nan + for i, n in enumerate(numbers): + X_new[i,:n,::] = X[i][mask[i]==1] + S_new[i,:n] = S[i][mask[i]==1] + + X = X_new + S = S_new + isnan = np.isnan(X) + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) + X[isnan] = 0. + # Conversion + S = torch.from_numpy(S).to(dtype=torch.long) + score = torch.from_numpy(score).float() + X = torch.from_numpy(X).to(dtype=torch.float32) + mask = torch.from_numpy(mask).to(dtype=torch.float32) + lengths = torch.from_numpy(lengths) + chain_mask = torch.from_numpy(chain_mask) + chain_encoding = torch.from_numpy(chain_encoding) + + return {"title": [b['title'] for b in batch], + "X":X, + "S":S, + "score": score, + "mask":mask, + "lengths":lengths, + "chain_mask":chain_mask, + "chain_encoding":chain_encoding} + + +class featurize_GVP: + def __init__(self, num_positional_embeddings=16, top_k=30, num_rbf=16): + self.top_k = top_k + self.num_rbf = num_rbf + self.num_positional_embeddings = num_positional_embeddings + # self.letter_to_num = {'C': 4, 'D': 3, 'S': 15, 'Q': 5, 'K': 11, 'I': 9, + # 'P': 14, 'T': 16, 'F': 13, 'A': 0, 'G': 7, 'H': 8, + # 'E': 6, 'L': 10, 'R': 1, 'W': 17, 'V': 19, + # 'N': 2, 'Y': 18, 'M': 12} + # self.num_to_letter = {v:k for k, v in self.letter_to_num.items()} + + def featurize(self, batch): + data_all = [] + for b in batch: + if b is None: + continue + coords = torch.tensor(np.stack([b[c] for c in ['N', 'CA', 'C', 'O']], 1)) + seq = torch.tensor(np.array(tokenizer.encode(b['seq'], add_special_tokens=False))) + + mask = torch.isfinite(coords.sum(dim=(1,2))) + coords[~mask] = np.inf + + X_ca = coords[:, 1].float() + edge_index = torch_geometric.nn.knn_graph(X_ca, k=self.top_k)#torch_cluster.knn_graph(X_ca, k=self.top_k) + + pos_embeddings = self._positional_embeddings(edge_index) # [E, 16] + E_vectors = X_ca[edge_index[0]] - X_ca[edge_index[1]] # [E, 3] + rbf = _rbf(E_vectors.norm(dim=-1), D_count=self.num_rbf) # [E, 16] + + dihedrals = self._dihedrals(coords) # [n,6] + orientations = self._orientations(X_ca) # [n,2,3] + sidechains = self._sidechains(coords) # [n,3] + + node_s = dihedrals.float() # [n,6] + + node_v = torch.cat([orientations, sidechains.unsqueeze(-2)], dim=-2).float() # [n, 3, 3] + + edge_s = torch.cat([rbf, pos_embeddings], dim=-1).float() # [E, 32] + edge_v = _normalize(E_vectors).unsqueeze(-2).float() # [E, 1, 3] + + node_s, node_v, edge_s, edge_v = map(torch.nan_to_num,(node_s, node_v, edge_s, edge_v)) + + data = torch_geometric.data.Data(x=X_ca, seq=seq, + node_s=node_s, node_v=node_v, + edge_s=edge_s, edge_v=edge_v, + edge_index=edge_index, mask=mask) + data_all.append(data) + return data_all + + def _positional_embeddings(self, edge_index, + num_embeddings=None, + period_range=[2, 1000]): + # From https://github.com/jingraham/neurips19-graph-protein-design + num_embeddings = num_embeddings or self.num_positional_embeddings + d = edge_index[0] - edge_index[1] + + frequency = torch.exp( + torch.arange(0, num_embeddings, 2, dtype=torch.float32) + * -(np.log(10000.0) / num_embeddings) + ) + angles = d.unsqueeze(-1) * frequency + E = torch.cat((torch.cos(angles), torch.sin(angles)), -1) + return E + + def _dihedrals(self, X, eps=1e-7): + # From https://github.com/jingraham/neurips19-graph-protein-design + + X = torch.reshape(X[:, :3], [3*X.shape[0], 3]) + dX = X[1:] - X[:-1] + U = _normalize(dX, dim=-1) + u_2 = U[:-2] + u_1 = U[1:-1] + u_0 = U[2:] + + # Backbone normals + n_2 = _normalize(torch.cross(u_2, u_1), dim=-1) + n_1 = _normalize(torch.cross(u_1, u_0), dim=-1) + + # Angle between normals + cosD = torch.sum(n_2 * n_1, -1) + cosD = torch.clamp(cosD, -1 + eps, 1 - eps) + D = torch.sign(torch.sum(u_2 * n_1, -1)) * torch.acos(cosD) + + # This scheme will remove phi[0], psi[-1], omega[-1] + D = F.pad(D, [1, 2]) + D = torch.reshape(D, [-1, 3]) + # Lift angle representations to the circle + D_features = torch.cat([torch.cos(D), torch.sin(D)], 1) + return D_features + + def _orientations(self, X): + forward = _normalize(X[1:] - X[:-1]) + backward = _normalize(X[:-1] - X[1:]) + forward = F.pad(forward, [0, 0, 0, 1]) + backward = F.pad(backward, [0, 0, 1, 0]) + return torch.cat([forward.unsqueeze(-2), backward.unsqueeze(-2)], -2) + + def _sidechains(self, X): + n, origin, c = X[:, 0], X[:, 1], X[:, 2] + c, n = _normalize(c - origin), _normalize(n - origin) + bisector = _normalize(c + n) + perp = _normalize(torch.cross(c, n)) + vec = -bisector * math.sqrt(1 / 3) - perp * math.sqrt(2 / 3) + return vec + + def collate(self, batch): + batch = self.featurize(batch) + if (batch is None) or (len(batch)==0): + return None + + elem = batch[0] + if isinstance(elem, Data): + return Batch.from_data_list(batch) + elif isinstance(elem, torch.Tensor): + return default_collate(batch) + elif isinstance(elem, float): + return torch.tensor(batch, dtype=torch.float) + elif isinstance(elem, int): + return torch.tensor(batch) + elif isinstance(elem, str): + return batch + elif isinstance(elem, Mapping): + return {key: self.collate([d[key] for d in batch]) for key in elem} + elif isinstance(elem, tuple) and hasattr(elem, '_fields'): + return type(elem)(*(self.collate(s) for s in zip(*batch))) + elif isinstance(elem, Sequence) and not isinstance(elem, str): + return [self.collate(s) for s in zip(*batch)] + + raise TypeError('DataLoader found invalid type: {}'.format(type(elem))) + + +def featurize_ProteinMPNN(batch, is_testing=False, chain_dict=None, fixed_position_dict=None, omit_AA_dict=None, tied_positions_dict=None, pssm_dict=None, bias_by_res_dict=None): + """ Pack and pad batch into torch tensors """ + + batch = [one for one in batch if one is not None] + # print('______________________________________________________') + # print('______________________________________________________') + # print('______________________________________________________') + # print('______________________________________________________') + # print(batch[0].keys()) + USING_DYNAMICS = True if ('norm_bfactors' in batch[0].keys()) or ('gt_flex' in batch[0].keys()) or ('enm_vals' in batch[0].keys()) or ('original_gt_flex' in batch[0].keys()) or ('eng_mask' in batch[0].keys()) else False + + alphabet = 'ACDEFGHIKLMNPQRSTVWYX' + B = len(batch) + if B==0: + return None + lengths = np.array([len(b['seq']) for b in batch], dtype=np.int32) #sum of chain seq lengths + L_max = max([len(b['seq']) for b in batch]) + X = np.zeros([B, L_max, 4, 3]) + residue_idx = -100*np.ones([B, L_max], dtype=np.int32) + chain_M = np.zeros([B, L_max], dtype=np.int32) #1.0 for the bits that need to be predicted + pssm_coef_all = np.zeros([B, L_max], dtype=np.float32) #1.0 for the bits that need to be predicted + pssm_bias_all = np.zeros([B, L_max, 21], dtype=np.float32) #1.0 for the bits that need to be predicted + pssm_log_odds_all = 10000.0*np.ones([B, L_max, 21], dtype=np.float32) #1.0 for the bits that need to be predicted + chain_M_pos = np.zeros([B, L_max], dtype=np.int32) #1.0 for the bits that need to be predicted + bias_by_res_all = np.zeros([B, L_max, 21], dtype=np.float32) + chain_encoding_all = np.zeros([B, L_max], dtype=np.int32) #1.0 for the bits that need to be predicted + S = np.zeros([B, L_max], dtype=np.int32) + score = np.zeros([B, L_max]) + omit_AA_mask = np.zeros([B, L_max, len(alphabet)], dtype=np.int32) + # Build the batch + letter_list_list = [] + visible_list_list = [] + masked_list_list = [] + masked_chain_length_list_list = [] + tied_pos_list_of_lists_list = [] + # shuffle all chains before the main loop + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + b_factors = np.zeros([B, L_max]) + if ('gt_flex' in batch[0].keys()): + gt_flex = np.zeros([B, L_max]) + if ('enm_vals' in batch[0].keys()): + enm_vals = np.zeros([B, L_max]) + if ('original_gt_flex' in batch[0].keys()): + original_gt_flex = np.zeros([B, L_max]) + if ('eng_mask' in batch[0].keys()): + eng_mask = np.zeros([B, L_max]) + + 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_'] + masked_chains = [''] + visible_chains = [] + # num_chains = b['num_of_chains'] + all_chains = masked_chains + visible_chains + #random.shuffle(all_chains) + for i, b in enumerate(batch): + mask_dict = {} + a = 0 + x_chain_list = [] + chain_mask_list = [] + chain_seq_list = [] + chain_encoding_list = [] + c = 1 + letter_list = [] + global_idx_start_list = [0] + visible_list = [] + masked_list = [] + masked_chain_length_list = [] + fixed_position_mask_list = [] + omit_AA_mask_list = [] + pssm_coef_list = [] + pssm_bias_list = [] + pssm_log_odds_list = [] + bias_by_res_list = [] + + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + b_factors_list = [] + if ('gt_flex' in batch[0].keys()): + gt_flex_list = [] + if ('enm_vals' in batch[0].keys()): + enm_vals_list = [] + if ('original_gt_flex' in batch[0].keys()): + original_gt_flex_list = [] + if ('eng_mask' in batch[0].keys()): + eng_mask_list = [] + l0 = 0 + l1 = 0 + for step, letter in enumerate(all_chains): + if letter in visible_chains: + letter_list.append(letter) + visible_list.append(letter) + chain_seq = b[f'seq_chain_{letter}'] + chain_seq = ''.join([a if a!='-' else 'X' for a in chain_seq]) + chain_length = len(chain_seq) + global_idx_start_list.append(global_idx_start_list[-1]+chain_length) + chain_coords = b[f'coords_chain_{letter}'] #this is a dictionary + chain_mask = np.zeros(chain_length) #0.0 for visible chains + x_chain = np.stack([chain_coords[c] for c in [f'N_chain_{letter}', f'CA_chain_{letter}', f'C_chain_{letter}', f'O_chain_{letter}']], 1) #[chain_lenght,4,3] + x_chain_list.append(x_chain) + chain_mask_list.append(chain_mask) + chain_seq_list.append(chain_seq) + chain_encoding_list.append(c*np.ones(np.array(chain_mask).shape[0])) + l1 += chain_length + residue_idx[i, l0:l1] = 100*(c-1)+np.arange(l0, l1) + l0 += chain_length + c+=1 + fixed_position_mask = np.ones(chain_length) + fixed_position_mask_list.append(fixed_position_mask) + omit_AA_mask_temp = np.zeros([chain_length, len(alphabet)], np.int32) + omit_AA_mask_list.append(omit_AA_mask_temp) + pssm_coef = np.zeros(chain_length) + pssm_bias = np.zeros([chain_length, 21]) + pssm_log_odds = 10000.0*np.ones([chain_length, 21]) + pssm_coef_list.append(pssm_coef) + pssm_bias_list.append(pssm_bias) + pssm_log_odds_list.append(pssm_log_odds) + bias_by_res_list.append(np.zeros([chain_length, 21])) + if letter in masked_chains: + masked_list.append(letter) + letter_list.append(letter) + + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + chain_b_factors = b['norm_bfactors'] + b_factors_list.append(chain_b_factors) + if ('gt_flex' in batch[0].keys()): + chain_gt_flex = b['gt_flex'] + gt_flex_list.append(chain_gt_flex) + if ('enm_vals' in batch[0].keys()): + chain_enm_vals = b['enm_vals'] + enm_vals_list.append(chain_enm_vals) + if ('original_gt_flex' in batch[0].keys()): + chain_original_gt_flex = b['original_gt_flex'] + original_gt_flex_list.append(chain_original_gt_flex) + if ('eng_mask' in batch[0].keys()): + chain_eng_mask = b['eng_mask'] + eng_mask_list.append(chain_eng_mask) + + # chain_seq = b[f'seq_chain_{letter}'] + chain_seq = b[f'seq{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_coords = b + chain_mask = np.ones(chain_length) #1.0 for masked + # x_chain = np.stack([chain_coords[c] for c in [f'N_chain_{letter}', f'CA_chain_{letter}', f'C_chain_{letter}', f'O_chain_{letter}']], 1) #[chain_lenght,4,3] + x_chain = np.stack([chain_coords[c] for c in [f'N', f'CA', f'C', f'O']], 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] + + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + bf = np.concatenate(b_factors_list,0) #[L,] + if ('gt_flex' in batch[0].keys()): + gt = np.concatenate(gt_flex_list,0) #[L,] + if ('enm_vals' in batch[0].keys()): + enm = np.concatenate(enm_vals_list,0) + if ('original_gt_flex' in batch[0].keys()): + orig_gt = np.concatenate(original_gt_flex_list,0) + if ('eng_mask' in batch[0].keys()): + eng = np.concatenate(eng_mask_list,0) + + 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, )) + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + bf_pad = np.pad(bf, [[0, L_max-l]], 'constant', constant_values=(np.nan, )) + if ('gt_flex' in batch[0].keys()): + gt_pad = np.pad(gt, [[0, L_max-l]], 'constant', constant_values=(np.nan, )) + if ('enm_vals' in batch[0].keys()): + enm_pad = np.pad(enm, [[0, L_max-l]], 'constant', constant_values=(np.nan, )) + if ('original_gt_flex' in batch[0].keys()): + orig_gt_pad = np.pad(orig_gt, [[0, L_max-l]], 'constant', constant_values=(0, )) + if ('eng_mask' in batch[0].keys()): + eng_pad = np.pad(eng, [[0, L_max-l]], 'constant', constant_values=(0, )) + + X[i,:,:,:] = x_pad + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + b_factors[i, :] = bf_pad + if ('gt_flex' in batch[0].keys()): + gt_flex[i, :] = gt_pad[:-1] + if ('enm_vals' in batch[0].keys()): + enm_vals[i, :] = enm_pad + if ('original_gt_flex' in batch[0].keys()): + original_gt_flex[i, :] = orig_gt_pad[:-1] + if ('eng_mask' in batch[0].keys()): + eng_mask[i, :] = eng_pad[:-1] + + if 'score' in b.keys(): + score[i, :l] = b['score'] + else: + score[i, :l] = 100.0 + + 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], [0, 0]], '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.array(tokenizer.encode(b['seq'], add_special_tokens=False)) + 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) + pssm_bias_all = torch.from_numpy(pssm_bias_all).to(dtype=torch.float32) + pssm_log_odds_all = torch.from_numpy(pssm_log_odds_all).to(dtype=torch.float32) + + tied_beta = torch.from_numpy(tied_beta).to(dtype=torch.float32) + + 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) + 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) + residue_idx = torch.from_numpy(residue_idx).to(dtype=torch.long) + S = torch.from_numpy(S).to(dtype=torch.long) + X = torch.from_numpy(X).to(dtype=torch.float32) + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + b_factors = torch.from_numpy(b_factors).to(dtype=torch.float32) + if ('gt_flex' in batch[0].keys()): + gt_flex = torch.from_numpy(gt_flex).to(dtype=torch.float32) + if ('enm_vals' in batch[0].keys()): + enm_vals = torch.from_numpy(enm_vals).to(dtype=torch.float32) + if ('original_gt_flex' in batch[0].keys()): + original_gt_flex = torch.from_numpy(original_gt_flex).to(dtype=torch.float32) + if ('eng_mask' in batch[0].keys()): + eng_mask = torch.from_numpy(eng_mask).to(dtype=torch.float32) + score = torch.from_numpy(score).float() + mask = torch.from_numpy(mask).to(dtype=torch.float32) + chain_M = torch.from_numpy(chain_M).to(dtype=torch.float32) + chain_M_pos = torch.from_numpy(chain_M_pos).to(dtype=torch.float32) + omit_AA_mask = torch.from_numpy(omit_AA_mask).to(dtype=torch.float32) + chain_encoding_all = torch.from_numpy(chain_encoding_all).to(dtype=torch.long) + + if is_testing is False: + retVal = {"title": [b['title'] for b in batch], + "X":X, + "S":S, + "score": score, + "mask":mask, + "lengths":lengths, + "chain_M":chain_M, + "chain_M_pos":chain_M_pos, + "residue_idx":residue_idx, + "chain_encoding_all":chain_encoding_all} + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + retVal['norm_bfactors'] = b_factors + if ('gt_flex' in batch[0].keys()): + retVal['gt_flex'] = gt_flex + if ('enm_vals' in batch[0].keys()): + retVal['enm_vals'] = enm_vals + if ('original_gt_flex' in batch[0].keys()): + retVal['original_gt_flex'] = original_gt_flex + if ('eng_mask' in batch[0].keys()): + retVal['eng_mask'] = eng_mask + + return retVal + else: + retVal = {"title": [b['title'] for b in batch], + "X":X, + "S":S, + "score": score, + "mask":mask, + "lengths":lengths, + "chain_M":chain_M, + "chain_M_pos":chain_M_pos, + "residue_idx":residue_idx, + "chain_encoding_all":chain_encoding_all} + if USING_DYNAMICS: + if ('norm_bfactors' in batch[0].keys()): + retVal['norm_bfactors'] = b_factors + if ('gt_flex' in batch[0].keys()): + retVal['gt_flex'] = gt_flex + if ('enm_vals' in batch[0].keys()): + retVal['enm_vals'] = enm_vals + if ('original_gt_flex' in batch[0].keys()): + retVal['original_gt_flex'] = original_gt_flex + if ('eng_mask' in batch[0].keys()): + retVal['eng_mask'] = eng_mask + return retVal + + +def featurize_Inversefolding(batch, shuffle_fraction=0.): + """ Pack and pad batch into torch tensors """ + alphabet = 'ACDEFGHIKLMNPQRSTVWY' + B = len(batch) + lengths = np.array([len(b['seq']) for b in batch], dtype=np.int32) + L_max = max([len(b['seq']) for b in batch]) + X = np.zeros([B, L_max, 3, 3]) + S = np.zeros([B, L_max], dtype=np.int32) + score = np.ones([B, L_max]) * 100.0 + chain_mask = np.zeros([B, L_max])-1 # 1:需要被预测的掩码部分 0:可见部分 + chain_encoding = np.zeros([B, L_max])-1 + + # Build the batch + for i, b in enumerate(batch): + x = np.stack([b[c] for c in ['N', 'CA', 'C']], 1) # [#atom, 4, 3] + + l = len(b['seq']) + x_pad = np.pad(x, [[0,L_max-l], [0,0], [0,0]], 'constant', constant_values=(np.nan, )) # [#atom, 3, 3] + X[i,:,:,:] = x_pad + + # Convert to labels + indices = np.array(tokenizer.encode(b['seq'], add_special_tokens=False)) + if shuffle_fraction > 0.: + idx_shuffle = shuffle_subset(l, shuffle_fraction) + S[i, :l] = indices[idx_shuffle] + else: + S[i, :l] = indices + + chain_mask[i,:l] = b['chain_mask'] + chain_encoding[i,:l] = b['chain_encoding'] + + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) # atom mask + numbers = np.sum(mask, axis=1).astype(np.int) + S_new = np.zeros_like(S) + X_new = np.zeros_like(X)+np.nan + for i, n in enumerate(numbers): + X_new[i,:n,::] = X[i][mask[i]==1] + S_new[i,:n] = S[i][mask[i]==1] + + X = X_new + S = S_new + isnan = np.isnan(X) + mask = np.isfinite(np.sum(X,(2,3))).astype(np.float32) + X[isnan] = 0. + # Conversion + S = torch.from_numpy(S).to(dtype=torch.long) + score = torch.from_numpy(score).float() + X = torch.from_numpy(X).to(dtype=torch.float32) + mask = torch.from_numpy(mask).to(dtype=torch.float32) + chain_mask = torch.from_numpy(chain_mask) + chain_encoding = torch.from_numpy(chain_encoding) + return {"title": [b['title'] for b in batch], + "X":X, + "S":S, + "score": score, + "mask":mask, + "lengths":lengths, + "chain_mask":chain_mask, + "chain_encoding":chain_encoding} \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/flex_cath_dataset.py b/Flexpert-Design/src/datasets/flex_cath_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..84e10f186f9b05122583bd222d8e5e3eaee3eddb --- /dev/null +++ b/Flexpert-Design/src/datasets/flex_cath_dataset.py @@ -0,0 +1,155 @@ +import os +import json +import numpy as np +from tqdm import tqdm +import random +import torch.utils.data as data +from .utils import cached_property +from transformers import AutoTokenizer +from src.tools.utils import load_yaml_config + +class FlexCATHDataset(data.Dataset): + def __init__(self, path='./', split='train', max_length=500, test_name='All', data = None, removeTS=0, version=4.3, data_jsonl_name='/chain_set.jsonl', use_dynamics=True): + self.version = version + self.path = path + self.mode = split + self.max_length = max_length + self.test_name = test_name + self.removeTS = removeTS + self.data_jsonl_name = data_jsonl_name + + self.using_dynamics = use_dynamics + + print(self.data_jsonl_name) + if self.removeTS: + self.remove = json.load(open(self.path+'/remove.json', 'r'))['remove'] + + if data is None: + if split == 'predict': + _split = 'valid' + print('In predict mode for CATH4.3 using VALIDATION split as the data. Consider switching to TEST set.') + else: + _split = split + self.data = self.cache_data[_split] + else: + self.data = data + + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + + @cached_property + def cache_data(self): + alphabet='ACDEFGHIKLMNPQRSTVWY' + alphabet_set = set([a for a in alphabet]) + print("path is: ", self.path) + if not os.path.exists(self.path): + raise "no such file:{} !!!".format(self.path) + else: + with open(self.path+'/'+self.data_jsonl_name) as f: + lines = f.readlines() + data_list = [] + for line in tqdm(lines): + entry = json.loads(line) + if self.removeTS and entry['name'] in self.remove: + continue + seq = entry['seq'] + + for key, val in entry['coords'].items(): + entry['coords'][key] = np.asarray(val) + + bad_chars = set([s for s in seq]).difference(alphabet_set) + + if len(bad_chars) == 0: + if len(entry['seq']) <= self.max_length: + chain_length = len(entry['seq']) + chain_mask = np.ones(chain_length) + data_list.append({ + 'title':entry['name'], + 'seq':entry['seq'], + 'CA':entry['coords']['CA'], + 'C':entry['coords']['C'], + 'O':entry['coords']['O'], + 'N':entry['coords']['N'], + 'chain_mask': chain_mask, + 'chain_encoding': 1*chain_mask + }) + if self.using_dynamics: + data_list[-1]['gt_flex'] = entry['gt_flex'] + data_list[-1]['enm_vals'] = entry['enm_vals'] + if 'original_gt_flex' in entry: + data_list[-1]['original_gt_flex'] = entry['original_gt_flex'] + if 'eng_mask' in entry: + data_list[-1]['eng_mask'] = entry['eng_mask'] + # else: + # import pdb; pdb.set_trace() + # print("Bad chars found in sequence: ", bad_chars) + + if self.version==4.2: + with open(self.path+'/chain_set_splits.json') as f: + dataset_splits = json.load(f) + + if self.version==4.3: + with open(self.path+'/chain_set_splits.json') as f: + dataset_splits = json.load(f) + # _dataset_splits = json.load(f) + # dataset_splits = {k: _dataset_splits['train'] for k,_ in _dataset_splits.items()} + # print("TODO: FIX THIS BACK!!!") + # import pdb; pdb.set_trace() + + if self.test_name == 'L100': + with open(self.path+'/test_split_L100.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + if self.test_name == 'sc': + with open(self.path+'/test_split_sc.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + name2set = {} + name2set.update({name:'train' for name in dataset_splits['train']}) + name2set.update({name:'valid' for name in dataset_splits['validation']}) + name2set.update({name:'test' for name in dataset_splits['test']}) + + data_dict = {'train':[],'valid':[],'test':[]} + for data in data_list: + if name2set.get(data['title']): + if name2set[data['title']] == 'train': + data_dict['train'].append(data) + + if name2set[data['title']] == 'valid': + data_dict['valid'].append(data) + + if name2set[data['title']] == 'test': + data['category'] = 'Unkown' + data['score'] = 100.0 + data_dict['test'].append(data) + return data_dict + + def change_mode(self, mode): + self.data = self.cache_data[mode] + + def __len__(self): + return len(self.data) + + def get_item(self, index): + return self.data[index] + + def __getitem__(self, index): + item = self.data[index] + L = len(item['seq']) + if L>self.max_length: + # 计算截断的最大索引 + max_index = L - self.max_length + # 生成随机的截断索引 + truncate_index = random.randint(0, max_index) + # 进行截断 + item['seq'] = item['seq'][truncate_index:truncate_index+self.max_length] + item['CA'] = item['CA'][truncate_index:truncate_index+self.max_length] + item['C'] = item['C'][truncate_index:truncate_index+self.max_length] + item['O'] = item['O'][truncate_index:truncate_index+self.max_length] + item['N'] = item['N'][truncate_index:truncate_index+self.max_length] + item['chain_mask'] = item['chain_mask'][truncate_index:truncate_index+self.max_length] + item['chain_encoding'] = item['chain_encoding'][truncate_index:truncate_index+self.max_length] + item['gt_flex'] = item['gt_flex'][truncate_index:truncate_index+self.max_length] + item['enm_vals'] = item['enm_vals'][truncate_index:truncate_index+self.max_length] + return item \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/foldswitchers_dataset.py b/Flexpert-Design/src/datasets/foldswitchers_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..e8771e8597a2be8b4aea60bd769303ed52455073 --- /dev/null +++ b/Flexpert-Design/src/datasets/foldswitchers_dataset.py @@ -0,0 +1,128 @@ +import os +import json +import numpy as np +from tqdm import tqdm +import random +import pdb +import torch.utils.data as data +from .utils import cached_property +from transformers import AutoTokenizer + +class FoldswitchersDataset(data.Dataset): + def __init__(self, path='./', split='train', max_length=500, test_name='All', data = None, removeTS=0): + self.path = path + self.mode = split + self.max_length = max_length + self.test_name = test_name + self.removeTS = removeTS + if self.removeTS: + self.remove = json.load(open(self.path+'/remove.json', 'r'))['remove'] + + if data is None: + self.data = self.cache_data[split] #This calls the cache_data property + else: + self.data = data + + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + + @cached_property + def cache_data(self): + alphabet='ACDEFGHIKLMNPQRSTVWY' + alphabet_set = set([a for a in alphabet]) + print("path is: ", self.path) + + if not os.path.exists(self.path): + raise "no such file:{} !!!".format(self.path) + else: + + with open(self.path+'/chain_set.jsonl') as f: + lines = f.readlines() + data_list = [] + + for line in tqdm(lines): + entry = json.loads(line) + + if self.removeTS and entry['name'] in self.remove: + continue + seq = entry['seq'] + + for key, val in entry['coords'].items(): + entry['coords'][key] = np.asarray(val) + + bad_chars = set([s for s in seq]).difference(alphabet_set) + + if len(bad_chars) == 0: + if len(entry['seq']) <= self.max_length: + chain_length = len(entry['seq']) + chain_mask = np.ones(chain_length) + data_list.append({ + 'title':entry['name'], + 'seq':entry['seq'], + 'CA':entry['coords']['CA'], + 'C':entry['coords']['C'], + 'O':entry['coords']['O'], + 'N':entry['coords']['N'], + 'chain_mask': chain_mask, + 'chain_encoding': 1*chain_mask + }) + + with open(self.path+'/chain_set_splits_cleaned.json') as f: + dataset_splits = json.load(f) + + if self.test_name == 'L100': + with open(self.path+'/test_split_L100.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + if self.test_name == 'sc': + with open(self.path+'/test_split_sc.json') as f: + test_splits = json.load(f) + dataset_splits['test'] = test_splits['test'] + + name2set = {} + name2set.update({name:'train' for name in dataset_splits['train']}) + name2set.update({name:'valid' for name in dataset_splits['validation']}) + name2set.update({name:'test' for name in dataset_splits['test']}) + + data_dict = {'train':[],'valid':[],'test':[]} + for data in data_list: + #pdb.set_trace() + if name2set.get(data['title']): #This was causing the trouble with empty datasets - missmatch of names in the chain_set and chain_set_split + if name2set[data['title']] == 'train': + data_dict['train'].append(data) + + if name2set[data['title']] == 'valid': + data_dict['valid'].append(data) + + if name2set[data['title']] == 'test': + data['category'] = 'Unkown' + data['score'] = 100.0 + data_dict['test'].append(data) + return data_dict + + def change_mode(self, mode): + self.data = self.cache_data[mode] + + def __len__(self): + return len(self.data) + + def get_item(self, index): + return self.data[index] + + def __getitem__(self, index): + item = self.data[index] + L = len(item['seq']) + if L>self.max_length: + # 计算截断的最大索引 + max_index = L - self.max_length + # 生成随机的截断索引 + truncate_index = random.randint(0, max_index) + # 进行截断 + item['seq'] = item['seq'][truncate_index:truncate_index+self.max_length] + item['CA'] = item['CA'][truncate_index:truncate_index+self.max_length] + item['C'] = item['C'][truncate_index:truncate_index+self.max_length] + item['O'] = item['O'][truncate_index:truncate_index+self.max_length] + item['N'] = item['N'][truncate_index:truncate_index+self.max_length] + item['chain_mask'] = item['chain_mask'][truncate_index:truncate_index+self.max_length] + item['chain_encoding'] = item['chain_encoding'][truncate_index:truncate_index+self.max_length] + return item \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/mpnn_dataset.py b/Flexpert-Design/src/datasets/mpnn_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..572caa1102e68b71548029bcaffedf49b37482d8 --- /dev/null +++ b/Flexpert-Design/src/datasets/mpnn_dataset.py @@ -0,0 +1,492 @@ +import os +import json +import numpy as np +from tqdm import tqdm +import pandas as pd +import torch.utils.data as data +from Bio.PDB import PDBParser +import torch +import random +import csv +from dateutil import parser +from .fast_dataloader import DataLoaderX +from torch.utils.data import DataLoader +import time + +from joblib import Parallel, delayed, cpu_count +from tqdm import tqdm + + +def pmap_multi(pickleable_fn, data, n_jobs=None, verbose=1, desc=None, **kwargs): + """ + + Parallel map using joblib. + + Parameters + ---------- + pickleable_fn : callable + Function to map over data. + data : iterable + Data over which we want to parallelize the function call. + n_jobs : int, optional + The maximum number of concurrently running jobs. By default, it is one less than + the number of CPUs. + verbose: int, optional + The verbosity level. If nonzero, the function prints the progress messages. + The frequency of the messages increases with the verbosity level. If above 10, + it reports all iterations. If above 50, it sends the output to stdout. + kwargs + Additional arguments for :attr:`pickleable_fn`. + + Returns + ------- + list + The i-th element of the list corresponds to the output of applying + :attr:`pickleable_fn` to :attr:`data[i]`. + """ + if n_jobs is None: + n_jobs = cpu_count() - 1 + + results = Parallel(n_jobs=n_jobs, verbose=verbose, timeout=None)( + delayed(pickleable_fn)(*d, **kwargs) for i, d in tqdm(enumerate(data),desc=desc) + ) + + + +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 + + +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 get_pdbs(data, 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 + + + data = {k:v for k,v in data.items()} + c1 += 1 + if 'label' in list(data): + 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(data['idx']))) < 352: + for idx in list(np.unique(data['idx'])): + letter = chain_alphabet[idx] + res = np.argwhere(data['idx']==idx) + initial_sequence= "".join(list(np.array(list(data['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(data['seq']))[res][0,])) + concat_seq += my_dict['seq_chain_'+letter] + if idx in data['masked']: + mask_list.append(letter) + else: + visible_list.append(letter) + coords_dict_chain = {} + all_atoms = np.array(data['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']= data['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: + return my_dict + return None + +def safe_iter(ID, split_dict, params, alphabet_set, max_length=1000): + sel_idx = np.random.randint(0, len(split_dict[ID])) + out = loader_pdb(split_dict[ID][sel_idx], params) + entry = get_pdbs(out) + if entry is None: + return None + + seq = entry['seq'] + bad_chars = set([s for s in seq]).difference(alphabet_set) + if len(bad_chars) != 0: + return None + + if len(entry['seq']) > max_length: + return None + + masked_chains = entry['masked_list'] + visible_chains = entry['visible_list'] + + all_chains = masked_chains + visible_chains + visible_temp_dict = {} + masked_temp_dict = {} + + for step, letter in enumerate(all_chains): + chain_seq = entry[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) + + + x_chain_list = [] + chain_mask_list = [] + chain_seq_list = [] + chain_encoding_list = [] + c = 1 + + for step, letter in enumerate(all_chains): + if letter in visible_chains: + chain_seq = entry[f'seq_chain_{letter}'] + chain_length = len(chain_seq) + chain_coords = entry[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])) + c+=1 + elif letter in masked_chains: + chain_seq = entry[f'seq_chain_{letter}'] + chain_length = len(chain_seq) + chain_coords = entry[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])) + c+=1 + + chain_mask_all = torch.from_numpy(np.concatenate(chain_mask_list)) + chain_encoding_all = torch.from_numpy(np.concatenate(chain_encoding_list)) + x_chain_all = torch.from_numpy(np.concatenate(x_chain_list)) + + data = { + "title":entry['name'], + "seq":''.join(chain_seq_list), #len(seq)=n + "chain_mask":chain_mask_all, + "chain_encoding":chain_encoding_all, + "CA":x_chain_all[:,1], # [n,3] + "C":x_chain_all[:,2], + "O":x_chain_all[:,3], + "N":x_chain_all[:,0]} # [n,] + return data + +class MPNNDataset(data.Dataset): + def __init__(self, data_path='/gaozhangyang/drug_dataset/proteinmpnn_data/pdb_2021aug02', rescut=3.5, split='train'): + self.data_path = data_path + self.rescut = rescut + self.params = { + "LIST" : f"{self.data_path}/list.csv", + "VAL" : f"{self.data_path}/valid_clusters.txt", + "TEST" : f"{self.data_path}/test_clusters.txt", + "DIR" : f"{self.data_path}", + "DATCUT" : "2030-Jan-01", + "RESCUT" : self.rescut, #resolution cutoff for PDBs + "HOMO" : 0.70 #min seq.id. to detect homo chains + } + + if not os.path.exists("/gaozhangyang/experiments/OpenCPD/data/mpnn_data/split.pt"): + train, valid, test = build_training_clusters(self.params, False) + split = {"train": train, "valid":valid, "test":test} + torch.save(split, "/gaozhangyang/experiments/OpenCPD/data/mpnn_data/split.pt") + else: + split = torch.load("/gaozhangyang/experiments/OpenCPD/data/mpnn_data/split.pt") + + self.split_dict = split[mode] + alphabet='ACDEFGHIKLMNPQRSTVWYX' + self.alphabet_set = set([a for a in alphabet]) + self.IDs = list(self.split_dict.keys()) + # self.data = self.preprocess() + + def cache_split(self,): + train, valid, test = build_training_clusters(self.params, False) + + return {"train": train, "valid":valid, "test":test} + + @classmethod + def safe_iter(self, ID, split_dict, params, alphabet_set, max_length=1000): + # sel_idx = np.random.randint(0, len(split_dict[ID])) + sel_idx = 0 + out = loader_pdb(split_dict[ID][sel_idx], params) + entry = get_pdbs(out) + if entry is None: + return None + + seq = entry['seq'] + bad_chars = set([s for s in seq]).difference(alphabet_set) + if len(bad_chars) != 0: + return None + + if len(entry['seq']) > max_length: + return None + + masked_chains = entry['masked_list'] + visible_chains = entry['visible_list'] + + all_chains = masked_chains + visible_chains + visible_temp_dict = {} + masked_temp_dict = {} + + for step, letter in enumerate(all_chains): + chain_seq = entry[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) + + + x_chain_list = [] + chain_mask_list = [] + chain_seq_list = [] + chain_encoding_list = [] + c = 1 + + for step, letter in enumerate(all_chains): + if letter in visible_chains: + chain_seq = entry[f'seq_chain_{letter}'] + chain_length = len(chain_seq) + chain_coords = entry[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])) + c+=1 + elif letter in masked_chains: + chain_seq = entry[f'seq_chain_{letter}'] + chain_length = len(chain_seq) + chain_coords = entry[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])) + c+=1 + + chain_mask_all = np.concatenate(chain_mask_list) + chain_encoding_all = np.concatenate(chain_encoding_list) + x_chain_all = np.concatenate(x_chain_list) + + data = { + "title":entry['name']+str(int(chain_mask_all.sum())), + "seq":''.join(chain_seq_list), #len(seq)=n + "chain_mask":chain_mask_all, + "chain_encoding":chain_encoding_all, + "CA":x_chain_all[:,1], # [n,3] + "C":x_chain_all[:,2], + "O":x_chain_all[:,3], + "N":x_chain_all[:,0]} # [n,] + return data + + + + def preprocess(self): + data = pmap_multi(self.safe_iter, [(ID,) for ID in self.IDs], split_dict=self.split_dict, params=self.params, alphabet_set=self.alphabet_set) + return data + + def __len__(self): + # return len(self.data) + return len(self.IDs) + + def __getitem__(self, index): + ID = self.IDs[index] + out = self.safe_iter(ID, split_dict=self.split_dict, params=self.params, alphabet_set=self.alphabet_set) + return out + + +def collate_fn(batch): + return batch + + +if __name__ == "__main__": + MPNNDataset = MPNNDataset() + loader = DataLoaderX(local_rank=0, dataset = MPNNDataset, collate_fn=collate_fn, batch_size=4) + # loader = DataLoader(dataset = MPNNDataset, collate_fn=collate_fn, batch_size=4, prefetch_factor=4, num_workers=4) + for batch in tqdm(loader): + for one in batch: + if one is not None: + for key, val in one.items(): + if type(val) == torch.Tensor: + result = val.to('cuda:0') + time.sleep(2) + print() \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/pdb_inference.py b/Flexpert-Design/src/datasets/pdb_inference.py new file mode 100644 index 0000000000000000000000000000000000000000..35f84b5c201ecd5a4fbe48e5e4aad812b535115c --- /dev/null +++ b/Flexpert-Design/src/datasets/pdb_inference.py @@ -0,0 +1,329 @@ +import os +import json +import numpy as np +import random +import pdb +import torch.utils.data as data +from .utils import cached_property +from transformers import AutoTokenizer + +#Imports for the PDB parser utils +import glob +import json +import numpy as np +import gzip +import re +import multiprocessing +import tqdm +import shutil +SENTINEL = 1 +import biotite.structure as struc +import biotite.application.dssp as dssp +import biotite.structure.io.pdb.file as file + +class PDBInference(data.Dataset): + def __init__(self, path='./', max_length=500, *args, **kwargs): + self.path = path + self.max_length = max_length + + self.data = self.cache_data #TODO + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + + @cached_property + def cache_data(self): + alphabet='ACDEFGHIKLMNPQRSTVWY' + alphabet_set = set([a for a in alphabet]) + print("path is: ", self.path) + + if not os.path.exists(self.path): + raise "no such folder:{} !!!".format(self.path) + else: + + #list all PDBs + pdb_files = [] + _files = os.listdir(self.path) + for _file in _files: + if _file.endswith('.pdb'): + pdb_files.append(_file) + print(f'pdb_files size = {len(pdb_files)}') + #parse the PDBs into lines like if it was from the chain_set.json + lines = [] + for _pdb in pdb_files: + _input_chain = _pdb.split('_')[1].split('.')[0] #ASSUMING NAMING 'PDBCODE_CHAINCODE_XXX' + _line = self.parse_PDB(self.path+'/'+_pdb, name=_pdb.split('.')[0], input_chain=_input_chain) #Input chain list can be parsed here as well + #pdb.set_trace() + lines.append(_line[0]) + + print(f'lines size = {len(lines)}') + data_list = [] + + flex_instructions = {} + flexibility_files = glob.glob(self.path + '/*instructions.csv') + for file in flexibility_files: + with open(file, 'r') as f: + flexibility_instructions_parsed= f.read().strip().split(',') + flexibility_instructions_parsed = [float(i) for i in flexibility_instructions_parsed] + [0.0] #add the padding here + flex_instructions[file.split('/')[-1].split('_instructions')[0]] = flexibility_instructions_parsed + + for line in tqdm.tqdm(lines): + entry = line + + seq = entry['seq'] + + for key, val in entry['coords'].items(): + entry['coords'][key] = np.asarray(val) + + bad_chars = set([s for s in seq]).difference(alphabet_set) + try: + _flex_instructions = flex_instructions[entry['name']] + except KeyError: + _flex_instructions = [0.0] * len(seq) + print(f"No flexibility instructions found for {entry['name']}. Passing zeros.") + + if len(bad_chars) == 0: + if len(entry['seq']) <= self.max_length: + chain_length = len(entry['seq']) + chain_mask = np.ones(chain_length) + data_list.append({ + 'title':entry['name'], + 'seq':entry['seq'], + 'CA':entry['coords']['CA'], + 'C':entry['coords']['C'], + 'O':entry['coords']['O'], + 'N':entry['coords']['N'], + 'chain_mask': chain_mask, + 'chain_encoding': 1*chain_mask, + 'gt_flex': _flex_instructions + }) + else: + print(f'Skipping PDBs with Bad chars, e.g. gaps in the sequence: {entry["name"]}') + + #data_dict = {'train':[],'valid':data_list,'test':data_list} + print(f'data_list size = {len(data_list)}') + return data_list#data_dict + + def change_mode(self, mode): + self.data = self.cache_data[mode] + + def __len__(self): + return len(self.data) + + def get_item(self, index): + return self.data[index] + + def __getitem__(self, index): + item = self.data[index] + L = len(item['seq']) + if L>self.max_length: + # 计算截断的最大索引 + max_index = L - self.max_length + # 生成随机的截断索引 + truncate_index = random.randint(0, max_index) + # 进行截断 + item['seq'] = item['seq'][truncate_index:truncate_index+self.max_length] + item['CA'] = item['CA'][truncate_index:truncate_index+self.max_length] + item['C'] = item['C'][truncate_index:truncate_index+self.max_length] + item['O'] = item['O'][truncate_index:truncate_index+self.max_length] + item['N'] = item['N'][truncate_index:truncate_index+self.max_length] + item['chain_mask'] = item['chain_mask'][truncate_index:truncate_index+self.max_length] + item['chain_encoding'] = item['chain_encoding'][truncate_index:truncate_index+self.max_length] + item['gt_flex'] = item['gt_flex'][truncate_index:truncate_index+self.max_length] + return item + + #Code from data_utils on local PC, based on: https://github.com/JoreyYan/zetadesign/blob/master/data/data.py + def parse_PDB_biounits(self, x, sse,ssedssp,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): + 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): + 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, plddts, min_resn, max_resn = {}, {}, [], 1e6, -1e6 + + pdbcontents = x.split('\n')[0] + with open(pdbcontents) as f: + pdbcontents = f.readlines() + for line in pdbcontents: + + 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 or ch==' ': + atom = line[12:12 + 4].strip() + resi = line[17:17 + 3] + resn = line[22:22 + 5].strip() + plddt=line[60:60 + 6].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 # in same pos ,use last atoms + 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_ ,sse_,ssedssp_= [], [], [], [] + dsspidx=0 + sseidx=0 + + for resn in range(int(min_resn), int(max_resn + 1)): + if resn in seq: + for k in sorted(seq[resn]): + seq_.append(aa_3_N.get(seq[resn][k], 20)) + try: + if 'CA' in xyz[resn][k]: + sse_.append(sse[sseidx]) + sseidx = sseidx + 1 + else: + sse_.append('-') + except: + print('error sse') + + + else: + seq_.append(20) + sse_.append('-') + + misschianatom = False + 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]) #some will miss C and O ,but sse is normal,because sse just depend on CA + else: + xyz_.append(np.full(3, np.nan)) + misschianatom=True + if misschianatom: + ssedssp_.append('-') + misschianatom = False + else: + try: + ssedssp_.append(ssedssp[dsspidx]) # if miss chain atom,xyz ,seq think is ok , but dssp miss this + dsspidx = dsspidx + 1 + except: + pass + #print(dsspidx) + + + else: + for atom in atoms: + xyz_.append(np.full(3, np.nan)) + ssedssp_.append('-') + + + return np.array(xyz_).reshape(-1, len(atoms), 3), N_to_AA(np.array(seq_)),np.array(sse_),np.array(ssedssp_) + + def parse_PDB(self, path_to_pdb, name, input_chain): + """ + make sure every time just input 1 line + """ + c = 0 + pdb_dict_list = [] + + + biounit_names = [path_to_pdb] + for biounit in biounit_names: + my_dict = {} + s = 0 + concat_seq = '' + + + letter = input_chain #Assuming single chain!! + + PDBFile = file.PDBFile.read(biounit) + array_stack = PDBFile.get_structure(altloc="all") + + #In case the passed letter is unknown, select one chain from the PDB file based on the dominant protein chain + if letter not in array_stack.chain_id: + is_protein = struc.filter_amino_acids(array_stack) + protein_atoms = array_stack[0][is_protein] + chain_ids, chain_counts = np.unique(protein_atoms.chain_id, return_counts=True) + dominant_chain_id = chain_ids[np.argmax(chain_counts)] + letter = dominant_chain_id + + + sse1 = struc.annotate_sse(array_stack[0], chain_id=letter).tolist() + if len(sse1)==0: + sse1 = struc.annotate_sse(array_stack[0], chain_id='').tolist() + + ssedssp1 = [] #not annotating dssp for now + + + xyz, seq, sse, ssedssp = self.parse_PDB_biounits(biounit,sse1,ssedssp1,atoms=['N', 'CA', 'C','O'], chain=letter) #TODO: fix the float error + ssedssp = sse #faking it for now + + assert len(sse)==len(seq[0]) + assert len(ssedssp) == len(seq[0]) + + if type(xyz) != str: + concat_seq += seq[0] + my_dict['seq_chain_' + letter] = seq[0] + + coords_dict_chain = {} + coords_dict_chain['N'] = xyz[:, 0, :].tolist() + coords_dict_chain['CA'] = xyz[:, 1, :].tolist() + coords_dict_chain['C'] = xyz[:, 2, :].tolist() + coords_dict_chain['O'] = xyz[:, 3, :].tolist() + my_dict['coords_chain_' + letter] = coords_dict_chain + my_dict['coords'] = coords_dict_chain + s += 1 + + # if s>1: + # raise NotImplementedError('Inference so far implemented only for single chain proteins') + + my_dict['name'] = name + my_dict['num_chains'] = s + my_dict['seq'] = my_dict[f'seq_chain_{letter}'] #concat_seq + # if s <= len(chain_alphabet): + # pdb_dict_list.append(my_dict) + # c += 1 + pdb_dict_list.append(my_dict) + return pdb_dict_list \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/ts_dataset.py b/Flexpert-Design/src/datasets/ts_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..5c36252cb18c834658d92b545ea450abcec557b0 --- /dev/null +++ b/Flexpert-Design/src/datasets/ts_dataset.py @@ -0,0 +1,47 @@ +import os +import json +import numpy as np +import torch.utils.data as data + + +class TSDataset(data.Dataset): + def __init__(self, path = './', split='test'): + if not os.path.exists(path): + raise "no such file:{} !!!".format(path) + else: + ts50_data = json.load(open(path+'/ts50.json')) + ts500_data = json.load(open(path+'/ts500.json')) + + # TS500 has proteins with lengths of 500+ + # TS50 only contains proteins with lengths less than 500 + self.data = [] + for temp in ts50_data: + coords = np.array(temp['coords']) + self.data.append({'title':temp['name'], + 'seq':temp['seq'], + 'CA':coords[:,1,:], + 'C':coords[:,2,:], + 'O':coords[:,3,:], + 'N':coords[:,0,:], + 'category': 'ts50' + }) + + for temp in ts500_data: + coords = np.array(temp['coords']) + self.data.append({'title':temp['name'], + 'seq':temp['seq'], + 'CA':coords[:,1,:], + 'C':coords[:,2,:], + 'O':coords[:,3,:], + 'N':coords[:,0,:], + 'category': 'ts500' + }) + + def __len__(self): + return len(self.data) + + def get_item(self, index): + return self.data[index] + + def __getitem__(self, index): + return self.data[index] \ No newline at end of file diff --git a/Flexpert-Design/src/datasets/utils.py b/Flexpert-Design/src/datasets/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..9471ddb583cf738d954347af537c8ac0c1fdbac2 --- /dev/null +++ b/Flexpert-Design/src/datasets/utils.py @@ -0,0 +1,99 @@ +import random + + +class cached_property(object): + """ + Descriptor (non-data) for building an attribute on-demand on first use. + """ + def __init__(self, factory): + """ + is called such: factory(instance) to build the attribute. + """ + self._attr_name = factory.__name__ + self._factory = factory + + def __get__(self, instance, owner): + # Build the attribute. + attr = self._factory(instance) + + # Cache the value; hide ourselves. + setattr(instance, self._attr_name, attr) + return attr + + +def get_inds(expected_num, clu_nums, cid2clu, seq2ind): + cur_len, cur_idx, query_cids, query_idx = 0, 0, [], [] + while cur_len < expected_num: + cid, l = clu_nums[cur_idx % (len(clu_nums))] + cur_idx += 1 + # check if this cluster has been selected + if cid in query_cids: + continue + if random.random() > 0.5: + for seq in cid2clu[cid]: + # seq2ind: ensure it is in limited lengths + if seq in seq2ind.keys(): + query_idx.append(seq2ind[seq]) + cur_len += 1 + + query_cids.append(cid) + return query_cids, query_idx + + +def get_num(N, valid_num=100): + train_n, valid_n = int(0.9 * N), min(valid_num, int(0.05 * N)) + test_n = N - train_n - valid_n + return train_n, valid_n, test_n + + +def get_full_inds(expected_num, clu_nums, cid2clu, full_seq2ind): + cur_len, cur_idx, query_cids, query_idx = 0, 0, [], {} + # build query_idx for each dataset + for dataname in full_seq2ind.keys(): + if dataname not in query_idx.keys(): + query_idx[dataname] = [] + cur_idx_lst = list(range(len(clu_nums))) + while cur_len < expected_num: + cur_idx = random.choice(cur_idx_lst) + cid, l = clu_nums[cur_idx] + # check if this cluster has been selected + if cid in query_cids: + continue + for seq in set(cid2clu[cid]): + # seq2ind: ensure it is in limited lengths + for dataname in full_seq2ind.keys(): + if seq in full_seq2ind[dataname].keys(): + query_idx[dataname].append(full_seq2ind[dataname][seq]) + cur_len += 1 + query_cids.append(cid) + cur_idx_lst.remove(cur_idx) + return query_cids, query_idx + + +def get_inds(expected_num, clu_nums, cid2clu, seq2ind): + cur_len, query_cids, query_idx = 0, [], [] + cur_idx_lst = list(range(len(clu_nums))) + while cur_len < expected_num: + try: + cur_idx = random.choice(cur_idx_lst) + cid, l = clu_nums[cur_idx] + # check if this cluster has been selected + if cid in query_cids: + continue + + # check if this cluster is too big + pre = abs(expected_num - cur_len) + aft = abs(cur_len + l - expected_num) + if pre < aft: + continue + + for seq in cid2clu[cid]: + # seq2ind: ensure it is in limited lengths + if seq in seq2ind.keys(): + query_idx.append(seq2ind[seq]) + cur_len += 1 + query_cids.append(cid) + cur_idx_lst.remove(cur_idx) + except: + break + return query_cids, query_idx diff --git a/Flexpert-Design/src/interface/__init__.py b/Flexpert-Design/src/interface/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/Flexpert-Design/src/interface/data_interface.py b/Flexpert-Design/src/interface/data_interface.py new file mode 100644 index 0000000000000000000000000000000000000000..5a7da5d75886bda19c00115aa3e1a06f0538c889 --- /dev/null +++ b/Flexpert-Design/src/interface/data_interface.py @@ -0,0 +1,66 @@ +import inspect +import importlib +import pytorch_lightning as pl +from torch.utils.data import DataLoader + + +class DInterface_base(pl.LightningDataModule): + def __init__(self, **kwargs): + super().__init__() + self.save_hyperparameters() + self.batch_size = self.hparams.batch_size + print("batch_size", self.batch_size) + self.load_data_module() + + def setup(self, stage=None): + # Assign train/val datasets for use in dataloaders + if stage == 'fit' or stage is None: + self.trainset = self.instancialize(split = 'train') + self.valset = self.instancialize(split='valid') + + # Assign test dataset for use in dataloader(s) + if stage == 'test' or stage is None: + self.testset = self.instancialize(split='test') + + def train_dataloader(self): + return DataLoader(self.trainset, batch_size=self.batch_size, num_workers=self.num_workers, shuffle=True, prefetch_factor=3) + + def val_dataloader(self): + return DataLoader(self.valset, batch_size=self.batch_size, num_workers=self.num_workers, shuffle=False) + + def test_dataloader(self): + return DataLoader(self.testset, batch_size=self.batch_size, num_workers=self.num_workers, shuffle=False) + + def load_data_module(self): + name = self.dataset + # Change the `snake_case.py` file name to `CamelCase` class name. + # Please always name your model file name as `snake_case.py` and + # class name corresponding `CamelCase`. + camel_name = ''.join([i.capitalize() for i in name.split('_')]) + try: + self.data_module = getattr(importlib.import_module( + '.'+name, package=__package__), camel_name) + except: + raise ValueError( + f'Invalid Dataset File Name or Invalid Class Name data.{name}.{camel_name}') + + def instancialize(self, **other_args): + """ Instancialize a model using the corresponding parameters + from self.hparams dictionary. You can also input any args + to overwrite the corresponding value in self.kwargs. + """ + if other_args['split'] == 'train': + self.data_module = getattr(importlib.import_module( + '.AF2DB_dataset', package='data'), 'Af2dbDataset') + else: + self.data_module = getattr(importlib.import_module( + '.CASP15_dataset', package='data'), 'CASP15Dataset') + + class_args = list(inspect.signature(self.data_module.__init__).parameters)[1:] + inkeys = self.kwargs.keys() + args1 = {} + for arg in class_args: + if arg in inkeys: + args1[arg] = self.kwargs[arg] + args1.update(other_args) + return self.data_module(**args1) \ No newline at end of file diff --git a/Flexpert-Design/src/interface/model_interface.py b/Flexpert-Design/src/interface/model_interface.py new file mode 100644 index 0000000000000000000000000000000000000000..435d5b3cffa6208e356d545df99e5231e1cf2a1e --- /dev/null +++ b/Flexpert-Design/src/interface/model_interface.py @@ -0,0 +1,89 @@ +import torch +import pytorch_lightning as pl +import torch.nn as nn +import os +import torch.optim.lr_scheduler as lrs +import inspect + +class MInterface_base(pl.LightningModule): + def __init__(self, model_name=None, loss=None, lr=None, **kargs): + super().__init__() + self.save_hyperparameters() + self.load_model() + self.configure_loss() + os.makedirs(os.path.join(self.hparams.res_dir, self.hparams.ex_name), exist_ok=True) + + def forward(self, input): + pass + + + def training_step(self, batch, batch_idx, **kwargs): + pass + + + def validation_step(self, batch, batch_idx): + pass + + def test_step(self, batch, batch_idx): + # Here we just reuse the validation_step for testing + return self.validation_step(batch, batch_idx) + + def on_validation_epoch_end(self): + # Make the Progress Bar leave there + self.print('') + + def get_schedular(self, optimizer, lr_scheduler='onecycle'): + if lr_scheduler == 'step': + scheduler = lrs.StepLR(optimizer, + step_size=self.hparams.lr_decay_steps, + gamma=self.hparams.lr_decay_rate) + elif lr_scheduler == 'cosine': + scheduler = lrs.CosineAnnealingLR(optimizer, + T_max=self.hparams.lr_decay_steps, + eta_min=self.hparams.lr_decay_min_lr) + elif lr_scheduler == 'onecycle': + scheduler = lrs.OneCycleLR(optimizer, max_lr=self.hparams.lr, steps_per_epoch=self.hparams.steps_per_epoch, epochs=self.hparams.epoch, three_phase=False) + else: + raise ValueError('Invalid lr_scheduler type!') + + return scheduler + + def configure_optimizers(self): + if hasattr(self.hparams, 'weight_decay'): + weight_decay = self.hparams.weight_decay + else: + weight_decay = 0 + + optimizer_g = torch.optim.AdamW(self.model.parameters(), lr=self.hparams.lr, weight_decay=weight_decay, betas=(0.9, 0.98), eps=1e-8) + + schecular_g = self.get_schedular(optimizer_g, self.hparams.lr_scheduler) + + return [optimizer_g], [{"scheduler": schecular_g, "interval": "step"}] + + def lr_scheduler_step(self, *args, **kwargs): + scheduler = self.lr_schedulers() + scheduler.step() + + + def configure_devices(self): + self.device = torch.device(self.hparams.device) + + def configure_loss(self): + self.loss_function = nn.CrossEntropyLoss(reduction='none') + + def load_model(self): + self.model = None + + def instancialize(self, Model, **other_args): + """ Instancialize a model using the corresponding parameters + from self.hparams dictionary. You can also input any args + to overwrite the corresponding value in self.hparams. + """ + class_args = inspect.getargspec(Model.__init__).args[1:] + inkeys = self.hparams.keys() + args1 = {} + for arg in class_args: + if arg in inkeys: + args1[arg] = getattr(self.hparams, arg) + args1.update(other_args) + return Model(**args1) diff --git a/Flexpert-Design/src/interface/pretrain_interface.py b/Flexpert-Design/src/interface/pretrain_interface.py new file mode 100644 index 0000000000000000000000000000000000000000..f9a2ba3d88d1ea7620d96ebccf031ac03f866b56 --- /dev/null +++ b/Flexpert-Design/src/interface/pretrain_interface.py @@ -0,0 +1,405 @@ +import torch +from omegaconf import OmegaConf +from transformers import AutoTokenizer, EsmForMaskedLM +import torch.nn.functional as F + +class PretrainInterface(torch.nn.Module): + def __init__(self, name): + super().__init__() + self.name = name + if name == "ESM35M": + self.esm_dim = 480 + self.tokenizer = AutoTokenizer.from_pretrained("/huyuqi/model_zoom/transformers/models--facebook--esm2_t12_35M_UR50D") + self.pretrain_model = EsmForMaskedLM.from_pretrained("/huyuqi/model_zoom/transformers/models--facebook--esm2_t12_35M_UR50D") + if name == "ESM650M": + self.esm_dim = 1280 + self.tokenizer = AutoTokenizer.from_pretrained("/huyuqi/model_zoom/transformers/models--facebook--esm2_t33_650M_UR50D/snapshots/08e4846e537177426273712802403f7ba8261b6c") + self.pretrain_model = EsmForMaskedLM.from_pretrained("/huyuqi/model_zoom/transformers/models--facebook--esm2_t33_650M_UR50D/snapshots/08e4846e537177426273712802403f7ba8261b6c") + if name == "ESM3B": + self.esm_dim = 2560 + self.tokenizer = AutoTokenizer.from_pretrained("/huyuqi/model_zoom/transformers/models--facebook--esm2_t36_3B_UR50D/snapshots/476b639933c8baad5ad09a60ac1a87f987b656fc") + self.pretrain_model = EsmForMaskedLM.from_pretrained("/huyuqi/model_zoom/transformers/models--facebook--esm2_t36_3B_UR50D/snapshots/476b639933c8baad5ad09a60ac1a87f987b656fc") + + if name == "vanilla": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMVQ/base/configs/10-18T01-15-36-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMVQ/base/checkpoints/best-epoch=14-val_loss=0.314.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict, strict=False) + + # if name == "LFQ": + # from step1_VQ.model_interface import MInterface + # pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMFVQ/LFQ_seg_linear/configs/10-17T15-46-37-project.yaml") + # pretrain_args.diffusion = False + # self.pretrain_model = MInterface(**pretrain_args) + # ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMFVQ/LFQ_seg_linear/checkpoints/best-epoch=14-val_loss=0.161.pth', map_location=torch.device('cpu')) + # state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + # self.pretrain_model.load_state_dict(state_dict, strict=False) + + + + if name == "softgroup-1": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftGroup/softgroup-1/configs/12-16T14-57-28-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftGroup/softgroup-1/checkpoints/best-epoch=13-val_loss=0.111.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "softgroup-2": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup-2/configs/10-24T12-51-57-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup-2/checkpoints/best-epoch=14-val_loss=0.067.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "softgroup-3": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup-3/configs/10-25T00-04-15-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup-3/checkpoints/best-epoch=14-val_loss=0.063.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "softgroup-4": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup_32_vectors/configs/10-19T01-03-55-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup_32_vectors/checkpoints/best-epoch=14-val_loss=0.056.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict, strict=False) + + if name == "softgroup-5": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup-5-gzy/configs/10-27T17-15-56-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup-5-gzy/checkpoints/best-epoch=14-val_loss=0.039.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "softgroup-6": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup_128_group/configs/10-28T01-28-50-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup_128_group/checkpoints/best-epoch=14-val_loss=0.011.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + + + if name == "softgroup_128_group": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup_128_group/configs/10-28T01-28-50-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoftGroup/softgroup_128_group/checkpoints/best-epoch=14-val_loss=0.011.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "diff-softgroup-1": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-rm-dist/configs/12-17T14-19-21-project.yaml") + pretrain_args.diffusion = True + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-rm-dist/checkpoints/best-epoch=12-val_loss=0.496.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "diff-softgroup-4": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-vq32/configs/12-19T01-54-15-project.yaml") + pretrain_args.diffusion = True + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-vq32/checkpoints/best-epoch=13-val_loss=0.184.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "diff-softgroup-5": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-vq64/configs/12-19T01-57-07-project.yaml") + pretrain_args.diffusion = True + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-vq64/checkpoints/best-epoch=13-val_loss=0.100.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "diff-softgroup-6": + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-vq128/configs/12-19T10-47-37-project.yaml") + pretrain_args.diffusion = True + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/DiffESMSoftGroup/diff-softgroup-vq128/checkpoints/best-epoch=13-val_loss=0.081.pth', map_location=torch.device('cpu')) + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'vanilla-1': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMVQ/base/configs/10-18T01-15-37-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMVQ/base/checkpoints/best-epoch=14-val_loss=0.314.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'soft-1': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoft/soft_rerun/configs/12-10T12-38-16-project.yaml") + pretrain_args.diffusion=False + pretrain_args.attn_type = 'raw' + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoft/soft_rerun/checkpoints/best-epoch=14-val_loss=0.018.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'soft_64_vecs': + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoft/soft_vq_num64/configs/10-19T11-11-58-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMSoft/soft_vq_num64/checkpoints/best-epoch=14-val_loss=8.768.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'LFQ': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMFVQ/vanilla_L1loss/configs/10-24T01-36-37-project.yaml") + pretrain_args.diffusion = False + pretrain_args.attn_type = 'raw' + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/DiffSDS/Pretrain_lightning/results/ESMFVQ/vanilla_L1loss/checkpoints/best-epoch=14-val_loss=11.328.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict, strict=False) + + if name == 'SCQ-mlp3-vqdim32': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-mlp3-vqdim32/configs/12-22T07-52-47-project.yaml") + pretrain_args.diffusion = False + pretrain_args.vq_dim, pretrain_args.condition_layer, pretrain_args.sphere = 32, 3, False + + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-mlp3-vqdim32/checkpoints/best-epoch=14-val_loss=0.376.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-mlp3-vqdim32-sphere': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-mlp3-vqdim32-sphere/configs/12-22T10-44-46-project.yaml") + pretrain_args.diffusion = False + + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-mlp3-vqdim32-sphere/checkpoints/best-epoch=14-val_loss=0.454.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-mlp6-vqdim32-sphere': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-mlp6BN-vqdim32-sphere/configs/12-22T18-28-04-project.yaml") + pretrain_args.diffusion = False + pretrain_args.attn_type = 'raw' + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-mlp6BN-vqdim32-sphere/checkpoints/best-epoch=14-val_loss=0.148.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-mlp2-vqdim32': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-mlp2-vqdim32/configs/12-22T00-21-35-project.yaml") + pretrain_args.diffusion = False + pretrain_args.vq_dim, pretrain_args.condition_layer, pretrain_args.sphere = 32, 2, False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-mlp2-vqdim32/checkpoints/best-epoch=14-val_loss=0.362.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-mlp2-vqdim32-sphere': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-sphere-vqdim32/configs/12-22T00-06-35-project.yaml") + pretrain_args.diffusion = False + pretrain_args.vq_dim, pretrain_args.condition_layer, pretrain_args.sphere = 32, 2, True + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-sphere-vqdim32/checkpoints/best-epoch=14-val_loss=0.338.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-mlp2-vqdim16': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional/configs/12-21T13-13-11-project.yaml") + pretrain_args.diffusion = False + pretrain_args.vq_dim, pretrain_args.condition_layer, pretrain_args.sphere = 16, 2, False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional/checkpoints/best-epoch=14-val_loss=0.094.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-mlp2-vqdim16-sphere': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-sphere/configs/12-21T16-38-57-project.yaml") + pretrain_args.diffusion = False + pretrain_args.vq_dim, pretrain_args.condition_layer, pretrain_args.sphere = 16, 2, True + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq16-conditional-sphere/checkpoints/best-epoch=14-val_loss=1.080.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-vq8-mlp6-vqdim16-sphere': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq8-mlp6BN-vqdim32-sphere/configs/12-23T05-15-56-project.yaml") + pretrain_args.diffusion = False + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-vq8-mlp6BN-vqdim32-sphere/checkpoints/best-epoch=14-val_loss=0.892.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'SCQ-mlp9-vqdim32-sphere': + from step1_VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-mlp9BN-vqdim32-sphere/configs/12-23T16-20-07-project.yaml") + pretrain_args.diffusion = False + + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step1_VQ/results/ESMSoftBV/SoftBV-mlp9BN-vqdim32-sphere/checkpoints/best-epoch=14-val_loss=0.151.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + + + if name == 'AF2VQ': + from step3_AF2VQ.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step3_AF2VQ/results/AF2VQ_softgroup16/configs/12-13T07-59-50-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load("/huyuqi/xmyu/VQProteinFormer/step3_AF2VQ/results/AF2VQ_softgroup16/checkpoints/best-epoch=11-val_loss=0.812.pth") + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == "ProGLM": + self.vq_dim=480 + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Inpainting_representation/results/softgroup_bin_1127/version_4/hparams.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Inpainting_representation/results/softgroup_bin_1127/checkpoints/best-epoch=08-valid_acc=0.804.ckpt', map_location=torch.device('cpu'))['state_dict'] + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'ProGLM_softgroup_af2db': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/DiffSDS/Inpainting_representation/results/softgroup_bin_2/version_3/hparams.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/DiffSDS/Inpainting_representation/results/softgroup_bin_2/checkpoints/best-epoch=13-valid_acc=0.863.ckpt', map_location=torch.device('cpu'))['state_dict'] + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'ProGLM_SoftVQ_cath': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftVQ_epoch15_pad300/configs/12-25T01-20-35-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftVQ_epoch15_pad300/checkpoints/best-epoch=27-valid_acc=0.001.pth') + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + + if name == 'ProGLM_SoftCVQ_cath': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_epoch15_pad300_BCE/configs/12-25T01-42-37-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_epoch15_pad300_BCE/checkpoints/best-epoch=14-valid_acc=0.614.pth') + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'ProGLM_SoftCVQ_cath_inpaint': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_epoch15_pad300_BCE_inpaint/configs/12-25T07-47-52-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_epoch15_pad300_BCE_inpaint/checkpoints/best-epoch=14-valid_acc=0.616.pth') + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'ProGLM_SoftCVQ_AF2DB': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_epoch15_AF2DB/configs/12-25T13-01-12-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_epoch15_AF2DB/checkpoints/best-epoch=14-valid_acc=0.631.pth') + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'ProGLM_SoftCVQ_ESM1B_CATH': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_ESM1B_CATH_lr5e-5/configs/12-25T16-02-35-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGLM_SoftCVQ_ESM1B_CATH_lr5e-5/checkpoints/best-epoch=14-valid_acc=0.616.pth') + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'ProGLM_SoftCVQ_CATH': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGPT_SoftCVQ_CATH/configs/12-26T08-13-41-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGPT_SoftCVQ_CATH/checkpoints/best-epoch=14-gpt_acc=0.758.pth') + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + if name == 'ProGLM_SoftCVQ_CATH_epoch10k': + from step2_ProGLM.model.model_interface import MInterface + pretrain_args = OmegaConf.load("/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGPT_SoftCVQ_CATH_epoch1000/configs/12-27T02-36-49-project.yaml") + self.pretrain_model = MInterface(**pretrain_args) + ckpt = torch.load('/huyuqi/xmyu/VQProteinFormer/step2_ProGLM/results/ProGPT_SoftCVQ_CATH_epoch10000_resume/checkpoints/best-epoch=1887-gpt_loss=0.181.pth') + state_dict = {k.replace('_forward_module.', ''): v for k, v in ckpt.items()} + self.pretrain_model.load_state_dict(state_dict) + + + if name == 'GearNet': + from model.PretrainGearNet import PretrainGearNet_Model + self.pretrain_model = PretrainGearNet_Model() + + self.pretrain_model.eval() + + def get_vq_id(self, seqs, angles, attn_mask): + # if ('softgroup' in self.name) or ('LFQ' in self.name): + # h_input = self.pretrain_model.model.input(seqs.squeeze(-1), angles) + # h_enc = self.pretrain_model.model.ProteinEnc(h_input, attn_mask, None).last_hidden_state + # vq_id, e_enc = self.pretrain_model.model.VQLayer.get_vq(h_enc, attn_mask, temperature=1e-5) + # return F.pad(vq_id, [0,1,0,0]) + + h_input = self.pretrain_model.model.input(seqs.squeeze(-1), angles) + h_enc = self.pretrain_model.model.ProteinEnc(h_input, attn_mask, None).last_hidden_state + vq_id, e_enc = self.pretrain_model.model.VQLayer.get_vq(h_enc, attn_mask, temperature=1e-5) + return vq_id + + def forward(self, batch): + if self.name in ["ESM35M", "ESM650M", "ESM3B"]: + seqs, attn_mask = batch['seqs'], batch['attn_mask'] + outputs = self.pretrain_model.model(input_ids=seqs[:,:,0], attention_mask=attn_mask) + pretrain_embedding = outputs.hidden_states + pretrain_embedding = pretrain_embedding.reshape(-1,self.esm_dim)[attn_mask.view(-1)==1] + return pretrain_embedding + if self.name in ["softgroup_128_group"]: + seqs, angles, attn_mask = batch['seqs'], batch['angles'] , batch['attn_mask'] + vq_id = self.pretrain_model.model.get_vqid(seqs[...,0], angles, attn_mask) + return vq_id + if self.name in ["ProGLM"]: + vq_id, attn_mask, seg, pos = batch['vq_id'], batch['attn_mask'], batch['seg'], batch['pos'] + feat = self.pretrain_model.model.get_feat(vq_id, attn_mask, seg, pos) + feat = feat.reshape(-1,self.vq_dim)[attn_mask.view(-1)==1] + return feat + if self.name in ["GearNet"]: + seqs = batch['seqs'] + batch = batch['batch'] + attn_mask = batch['attn_mask'] + for idx in range(seqs.shape[0]): + seq_str = self.pretrain_featurizer.ESM_tokenizer.decode(seqs[idx,attn_mask[idx,:].bool(),0]) + seq_strs.append(seq_str.split(" ")) + seq_strs = sum(seq_strs, []) + node_index = torch.arange(batch.batch.shape[0], device=batch.batch.device) + node2graph = batch.batch + chain_id = torch.ones_like(batch.batch) + + pretrain_embedding = self.pretrain_gearnet_model(seq_strs, node_index, node2graph, chain_id, batch.pos) + return pretrain_embedding + + + + diff --git a/Flexpert-Design/src/models/E3PiFold_model.py b/Flexpert-Design/src/models/E3PiFold_model.py new file mode 100644 index 0000000000000000000000000000000000000000..3b2fcaa7e16e77dedce37c7f687720427d6ed5fe --- /dev/null +++ b/Flexpert-Design/src/models/E3PiFold_model.py @@ -0,0 +1,90 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F +from typing import Optional +from torch import Tensor +from omegaconf import OmegaConf +from src.modules.E3PiFold import GaussianEncoder, TransformerEncoderWithPair +from src.tools import gather_nodes, _dihedrals, _get_rbf, _get_dist, _rbf, _orientations_coarse_gl_tuple + +class E3PiFold(nn.Module): + def __init__(self, config) -> None: + super().__init__() + self.node_embed = nn.Linear(21, config.embed_dim) + self.protein_embedder = GaussianEncoder(config.kernel_num, config.embed_dim, config.attention_heads, config.use_dist, config.use_product) + + self.encoder = TransformerEncoderWithPair( + config.encoder_layers, + config.embed_dim, + config.ffn_embed_dim, + config.attention_heads, + config.emb_dropout, + config.dropout, + config.attention_dropout, + config.activation_dropout, + config.max_seq_len, + ) + self.predictor = nn.Linear(config.embed_dim, 33) + + def _full_dist(self, X, mask, top_k=30, eps=1E-6): + mask_2D = torch.unsqueeze(mask,1) * torch.unsqueeze(mask,2) + dX = torch.unsqueeze(X,1) - torch.unsqueeze(X,2) + D = (1. - mask_2D)*10000 + 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+1) + D_neighbors, E_idx = torch.topk(D_adjust, min(top_k, D_adjust.shape[-1]), dim=-1, largest=False) + return D_neighbors, E_idx + + def _get_features(self, batch): + X = batch['X'] + X_ca = X[:,:,1,:] + D_neighbors, E_idx = self._full_dist(X_ca, batch['mask'], 30) + V_angles = _dihedrals(X.float()) + V_direct, E_direct, E_angles = _orientations_coarse_gl_tuple(X.float(), E_idx) + h_V = torch.cat([V_angles, V_direct], dim=-1).to(X.dtype) + batch['h_V'] = h_V + return batch + + def forward(self, batch): + ''' + X, H, seq_mask + ''' + X = batch['X'][:,:,1] + H = self.node_embed(batch['h_V']) + seq_mask = batch['mask'] + pair_mask = seq_mask[..., None] * seq_mask[..., None, :] + padding_mask = 1 - seq_mask + x, graph_attn_bias = self.protein_embedder(X, H, pair_mask) + ( + encoder_rep, + encoder_pair_rep, + delta_encoder_pair_rep, + x_norm, + delta_encoder_pair_rep_norm, + ) = self.encoder(x, padding_mask=padding_mask, attn_mask=graph_attn_bias, pair_mask=pair_mask) + logits = self.predictor(x) + log_probs = F.log_softmax(logits, dim=-1) + + return {'log_probs': log_probs} + + +if __name__ == '__main__': + B, N, dim = 16, 512, 768 + X = torch.randn(B, N, 3) + H = torch.randn(B, N, dim) + seq_mask = (torch.ones(B, N)>0.5).float() + + config = {'encoder_layers': 12, + 'kernel_num':16, + 'embed_dim': 768, + 'ffn_embed_dim': 3072, + 'attention_heads': 8, + 'emb_dropout': 0.1, + 'dropout': 0.1, + 'attention_dropout': 0.1, + 'activation_dropout': 0.0, + 'max_seq_len': 256} + config = OmegaConf.create(config) + model = E3PiFold(config) + feat = model(X, H, seq_mask) \ No newline at end of file diff --git a/Flexpert-Design/src/models/MemoryESM.py b/Flexpert-Design/src/models/MemoryESM.py new file mode 100644 index 0000000000000000000000000000000000000000..7368f917d80c3af54db24da5e924ad6cab2f674c --- /dev/null +++ b/Flexpert-Design/src/models/MemoryESM.py @@ -0,0 +1,164 @@ +import subprocess +import os +from joblib import Parallel, delayed, cpu_count +from tqdm import tqdm +import pandas as pd +import torch +import torch.nn as nn +import shutil +from .PretrainESM_model import PretrainESM_Model + + +class MemoESM(nn.Module): + def __init__(self, args): + super().__init__() + self.PretrainESM = PretrainESM_Model(args) + self.tokenizer = self.PretrainESM.tokenizer + self.memory = {} + # self.fix_memory = False + + # def save_memory(self, path): + # params = {key:val for key,val in self.state_dict().items() if "GNNTuning" in key} + # torch.save({"params":params,"memory": self.memory}, path) + + # def load_memory(self, path): + # data = torch.load(path) + # self.load_state_dict(data['params'], strict=False) + # self.memory = data['memory'] + + def clean_input(self, batch, score_cut=0.99): + ''' + require: batch['pred_ids'], batch['attention_mask'], batch['confs'] + ''' + symbol = "" + replace_dict = {"-":symbol, + ".":symbol, + "":symbol, + "":symbol, + "":symbol, + "":symbol, + "":symbol, + "":symbol, + "U":symbol, + "O":symbol} + + device = batch['pred_ids'].device + query_seqs = [] + for pred_ids, mask, score in zip(batch['pred_ids'], batch['attention_mask'], batch['confs']): + seq = self.tokenizer.decode(pred_ids[mask], clean_up_tokenization_spaces=False) + elements = [] + for idx, x in enumerate(seq.split(" ")): + symbol = replace_dict.get(x, x) + if score[idx] < score_cut: + symbol = "" + elements.append(symbol) + seq = "".join(elements) + query_seqs.append(seq) + + results = self.tokenizer.batch_encode_plus(query_seqs, return_tensors="pt", padding=True) + return query_seqs + + def initoutput(self, B, maxL, device): + self.out_pred_ids = torch.zeros(B, maxL, dtype=torch.long, device=device) + self.out_confs = torch.zeros(B, maxL, dtype=torch.float, device=device) + self.out_embeds = torch.zeros(B, maxL, 1280, dtype=torch.float, device=device) + self.titles = [None for i in range(B)] + + def retrivel(self, titles, num_nodes, device, use_memory): + # retrieval + unseen = [] + for idx in range(len(titles)): + name = titles[idx] + if (name in self.memory) and use_memory: + memo_pred_ids = self.memory[name]['pred_ids'].to(device) + memo_confs = self.memory[name]['confs'].to(device) + memo_embeds = self.memory[name]['embeds'].to(device) + + self.out_pred_ids[idx, :num_nodes[idx]] = memo_pred_ids + self.out_confs[idx, :num_nodes[idx]] = memo_confs + self.out_embeds[idx, :num_nodes[idx]] = memo_embeds + self.titles[idx] = name + else: + unseen.append(idx) + return unseen + + def rebatch(self, unseen, batch): + unseen_pred_ids = [] + unseen_attention_mask = [] + for i in unseen: + unseen_pred_ids.append(batch['pred_ids'][i]) + unseen_attention_mask.append(batch['attention_mask'][i]) + unseen_pred_ids = torch.stack(unseen_pred_ids) + unseen_attention_mask = torch.stack(unseen_attention_mask) + return {"pred_ids":unseen_pred_ids, "attention_mask":unseen_attention_mask} + + def save2memory(self, unseen,outputs, titles, unseen_attention_mask): + # save to memory + for i in range(len(unseen)): + name = titles[unseen[i]] + self.titles[unseen[i]] = name + mask = unseen_attention_mask[i] + self.memory[name] = {"pred_ids":outputs['pred_ids'][i][mask].detach().to('cpu'), + "confs":outputs['confs'][i][mask].detach().to('cpu'), + "embeds":outputs['embeds'][i][mask].detach().to('cpu')} + + def update(self, unseen, unseen_attention_mask, num_nodes, outputs): + # update + for idx in range(len(unseen)): + mask = unseen_attention_mask[idx]==1 + self.out_pred_ids[unseen[idx], :num_nodes[unseen[idx]]] = outputs['pred_ids'][idx][mask] + self.out_confs[unseen[idx], :num_nodes[unseen[idx]]] = outputs['confs'][idx][mask] + self.out_embeds[unseen[idx], :num_nodes[unseen[idx]]] = outputs['embeds'][idx][mask] + + @torch.no_grad() + def forward(self, batch, use_memory=False): + # debatch + # clean_seqs = self.clean_input(batch) + device = batch['probs'].device + B, maxL, _ = batch['probs'].shape + num_nodes = batch['attention_mask'].sum(dim=-1).tolist() + self.initoutput(B, maxL, device) + unseen = self.retrivel(batch['title'], num_nodes, device, use_memory) + + + if len(unseen)>0: + # batch forward + new_batch = self.rebatch(unseen, batch) + outputs = self.PretrainESM(new_batch) + + self.save2memory(unseen,outputs, batch['title'], new_batch['attention_mask']) + self.update(unseen, new_batch['attention_mask'], num_nodes, outputs) + + return {'title':self.titles,'pred_ids':self.out_pred_ids, 'confs':self.out_confs, 'embeds':self.out_embeds, 'attention_mask':batch['attention_mask']} + + + +if __name__ == '__main__': + + # work_space = '/gaozhangyang/experiments/PiFoldV2/data/mmseq_workspace2' + # target_seqs = ["MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPQTKTYFPHFDLSHGSAQVKGHG", "MVHLTPEEKSAVTALWGKVNVDEVGVEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKV", + # "MVLSPADKTNVKAAWGKVGAGGAEALERMFLSFPQKTYYTYFPHFDLSHGSAQVKGHG"] + + # query_seqs = ["MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKFPHFDLSHGSAQV", "MVHLTPEEKSAVTALWGKVNVDEVGGGRLLVVYPWTQRFFESFGDLSTPDAV",] + + # results = search_seqs(query_seqs, target_seqs, work_space) + # print(results) + + + import biotite.sequence as seq + import biotite.sequence.align as align + + # Create example query and target protein sequences + query_seq1 = seq.ProteinSequence("MSKXXKAFLNKXXL") + target_seq1 = seq.ProteinSequence("MSKVKAALNKVLL") + target_seq2 = seq.ProteinSequence("MSKVKKALNKVLL") + target_seq3 = seq.ProteinSequence("MSTVAAALKMLLL") + + results = search_seqs_biotite(["MSKXXKAFLNKXXL"], ["MSKVKAALNKVLL", "MSKVKKALNKVLL", "MSTVAAALKMLLL"]) + + # Print the alignments + print("Query alignments:") + + + + \ No newline at end of file diff --git a/Flexpert-Design/src/models/MemoryESMIF.py b/Flexpert-Design/src/models/MemoryESMIF.py new file mode 100644 index 0000000000000000000000000000000000000000..01516f0d188ce3e299971d76337b0a48cc6f9bf0 --- /dev/null +++ b/Flexpert-Design/src/models/MemoryESMIF.py @@ -0,0 +1,116 @@ +import subprocess +import os +from joblib import Parallel, delayed, cpu_count +from tqdm import tqdm +import pandas as pd +import torch +import torch.nn as nn +from .PretrainESMIF_model import PretrainESMIF_Model +from torch_scatter import scatter_sum + +class MemoESMIF(nn.Module): + def __init__(self): + super().__init__() + self.PretrainESMIF = PretrainESMIF_Model() + self.memory = {} + # self.fix_memory = False + + # def save_memory(self, path): + # params = {key:val for key,val in self.state_dict().items() if "GNNTuning" in key} + # torch.save({"params":params,"memory": self.memory}, path) + + # def load_memory(self, path): + # data = torch.load(path) + # self.load_state_dict(data['params'], strict=False) + # self.memory = data['memory'] + + def initoutput(self, B, maxL, device): + self.out_embeds = torch.zeros(B, maxL, 512, dtype=torch.float, device=device) + self.titles = [None for i in range(B)] + + def retrivel(self, titles, num_nodes, device, use_memory): + # retrieval + unseen = [] + for idx in range(len(titles)): + name = titles[idx] + if (name in self.memory) and use_memory: + memo_embeds = self.memory[name]['embeds'].to(device) + self.out_embeds[idx, :num_nodes[idx]] = memo_embeds + self.titles[idx] = name + else: + unseen.append(idx) + return unseen + + def rebatch(self, unseen, batch): + unseen_position = [] + for i in unseen: + mask = batch['batch_id']==i + unseen_position.append(batch['position'][mask][:,:3,:]) + return {"position":unseen_position} + + def save2memory(self, unseen,outputs, titles, num_nodes): + # save to memory + for i in range(len(unseen)): + name = titles[unseen[i]] + self.titles[unseen[i]] = name + num = num_nodes[unseen[i]] + self.memory[name] = {"embeds":outputs['feat'][i,:num].detach().to('cpu')} + + def update(self, unseen, num_nodes, outputs): + # update + for idx in range(len(unseen)): + num = num_nodes[unseen[idx]] + self.out_embeds[unseen[idx], :num_nodes[unseen[idx]]] = outputs['feat'][idx, :num] + + @torch.no_grad() + def forward(self, batch, use_memory=False): + # debatch + # clean_seqs = self.clean_input(batch) + device = batch['position'].device + num_nodes = scatter_sum(torch.ones_like(batch['batch_id']), batch['batch_id'], dim=0) + B, maxL = num_nodes.shape[0], num_nodes.max() + self.initoutput(B, maxL, device) + unseen = self.retrivel(batch['title'], num_nodes, device, use_memory) + + + if len(unseen)>0: + # batch forward + new_batch = self.rebatch(unseen, batch) + outputs = self.PretrainESMIF(new_batch['position']) + + self.save2memory(unseen,outputs, batch['title'], num_nodes) + self.update(unseen, num_nodes, outputs) + + return {'title':self.titles, 'embeds':self.out_embeds} + + + +if __name__ == '__main__': + + # work_space = '/gaozhangyang/experiments/PiFoldV2/data/mmseq_workspace2' + # target_seqs = ["MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPQTKTYFPHFDLSHGSAQVKGHG", "MVHLTPEEKSAVTALWGKVNVDEVGVEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKV", + # "MVLSPADKTNVKAAWGKVGAGGAEALERMFLSFPQKTYYTYFPHFDLSHGSAQVKGHG"] + + # query_seqs = ["MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKFPHFDLSHGSAQV", "MVHLTPEEKSAVTALWGKVNVDEVGGGRLLVVYPWTQRFFESFGDLSTPDAV",] + + # results = search_seqs(query_seqs, target_seqs, work_space) + # print(results) + + + import biotite.sequence as seq + import biotite.sequence.align as align + + # Create example query and target protein sequences + query_seq1 = seq.ProteinSequence("MSKXXKAFLNKXXL") + target_seq1 = seq.ProteinSequence("MSKVKAALNKVLL") + target_seq2 = seq.ProteinSequence("MSKVKKALNKVLL") + target_seq3 = seq.ProteinSequence("MSTVAAALKMLLL") + + results = search_seqs_biotite(["MSKXXKAFLNKXXL"], ["MSKVKAALNKVLL", "MSKVKKALNKVLL", "MSTVAAALKMLLL"]) + + # Print the alignments + print("Query alignments:") + + + + \ No newline at end of file diff --git a/Flexpert-Design/src/models/MemoryPiFold.py b/Flexpert-Design/src/models/MemoryPiFold.py new file mode 100644 index 0000000000000000000000000000000000000000..378acb401daed03781ceb30c4865ee0ebbda8872 --- /dev/null +++ b/Flexpert-Design/src/models/MemoryPiFold.py @@ -0,0 +1,143 @@ +import torch +import torch.nn as nn +from .PretrainPiFold_model import PretrainPiFold_Model +from torch_scatter import scatter_sum +import torch.nn.functional as F + +class MemoPiFold_model(nn.Module): + def __init__(self, args): + super().__init__() + self.PretrainPiFold = PretrainPiFold_Model(args) + self.memory = {} + + def save_memory(self, path): + params = {key:val for key,val in self.state_dict().items() if "GNNTuning" in key} + torch.save({"params":params,"memory": self.memory}, path) + + def load_memory(self, path): + data = torch.load(path) + self.load_state_dict(data['params'], strict=False) + self.memory = data['memory'] + + def initoutput(self, B, max_L, nums, device): + self.confs = torch.ones(B, max_L, device=device) + self.embeds = torch.ones(B, max_L, 128, device=device) + self.probs = torch.ones(B, max_L, 33, device=device) + self.attention_mask = torch.ones_like(self.confs)==0 + self.titles = [None for i in range(B)] + for id, num in enumerate(nums): + self.attention_mask[id, :num] = True + self.edge_feats = [] + + def retrivel(self, batch, nums, batch_uid, device, use_memory): + # retrieval + unseen = [] + + for idx, name in enumerate(batch['title']): + if (name in self.memory) and use_memory: + try: + self.confs[batch_uid[idx],:nums[idx]] = self.memory[name]['conf'].to(device) + except: + self.confs[batch_uid[idx],:nums[idx]] = self.memory[name]['conf'].to(device) + self.embeds[batch_uid[idx],:nums[idx]] = self.memory[name]['embed'].to(device) + self.probs[batch_uid[idx],:nums[idx]] = self.memory[name]['prob'].to(device) + self.edge_feats.append((batch_uid[idx], self.memory[name]['h_E'].to(device))) + self.titles[batch_uid[idx]] = name + else: + unseen.append(idx) + return unseen + + def rebatch(self, unseen, batch_uid, batch_id, batch, shift, nums, device): + h_V2, h_E2, E_idx2, batch_id2 = [], [], [], [] + shift2 = [0] + idx=0 + for id in batch_uid: + if id not in unseen: + continue + node_mask = batch_id == id + edge_mask = batch_id[batch['E_idx'][0]] == id + h_V2.append(batch['h_V'][node_mask]) + h_E2.append(batch['h_E'][edge_mask]) + new_E_idx = batch['E_idx'][:,edge_mask] + new_E_idx = new_E_idx- shift[batch_id[new_E_idx[0]]]+shift2[-1] + E_idx2.append(new_E_idx) + new_batch_id = torch.ones(node_mask.sum().long(), device=device)*idx + batch_id2.append(new_batch_id) + shift2.append(shift2[-1]+nums[id]) + idx+=1 + + h_V2 = torch.cat(h_V2) + h_E2 = torch.cat(h_E2) + E_idx2 = torch.cat(E_idx2, dim=-1) + batch_id2 = torch.cat(batch_id2).long() + return {"h_V":h_V2, 'h_E':h_E2, 'E_idx':E_idx2, 'batch_id':batch_id2} + + def update_save2memory(self, unseen, batch_id2, E_idx2, batch, pretrain_gnn, max_L): + for id in batch_id2.unique(): + node_mask = batch_id2 == id + edge_mask = batch_id2[E_idx2[0]] == id + title = batch['title'][unseen[int(id)]] + conf = pretrain_gnn['confs'][id] + conf = F.pad(conf, (0, max_L-len(conf))) + embed = pretrain_gnn['embeds'][id] + embed = F.pad(embed, (0,0,0,max_L-len(embed))) + prob = pretrain_gnn['probs'][id] + prob = F.pad(prob, (0,0,0,max_L-len(prob))) + self.edge_feats.append((unseen[int(id)], pretrain_gnn['h_E'][edge_mask])) + + self.confs[unseen[int(id)]] = conf + self.embeds[unseen[int(id)]] = embed + self.probs[unseen[int(id)]] = prob + self.titles[unseen[int(id)]] = title + + attn_mask = self.attention_mask[unseen[int(id)]] + + # save to memory + self.memory[title] = {'conf': conf[attn_mask].detach().to('cpu'), + 'embed': embed[attn_mask].detach().to('cpu'), + 'prob': prob[attn_mask].detach().to('cpu'), + 'h_E':pretrain_gnn['h_E'][edge_mask].detach().to('cpu')} + + @torch.no_grad() + def forward(self, batch, use_memory=False): + batch_id = batch['batch_id'] + batch_uid = batch_id.unique() + device = batch_id.device + + nums = scatter_sum(torch.ones_like(batch_id), batch_id) + shift = torch.cat([torch.zeros(1, device=device), torch.cumsum(nums, dim=0)]).long() + max_L, B = nums.max(), batch_uid.shape[0] + + self.initoutput(B, max_L, nums, device) + unseen = self.retrivel(batch, nums, batch_uid, device, use_memory) + + # organize data + if len(unseen)>0: + # rebatch + new_batch = self.rebatch(unseen, batch_uid, batch_id, batch, shift, nums, device) + + # forward pass + pretrain_gnn = self.PretrainPiFold(new_batch) + + self.update_save2memory(unseen, pretrain_gnn['batch_id'], pretrain_gnn['E_idx'], batch, pretrain_gnn, max_L) + + + self.edge_feats = sorted(self.edge_feats, key=lambda x: x[0]) + self.edge_feats = torch.cat([one[1] for one in self.edge_feats]) + + pred_ids = self.probs.argmax(dim=-1)*self.attention_mask + (~self.attention_mask)*1 + + return {'title': self.titles, + 'pred_ids': pred_ids, + 'confs': self.confs, + 'embeds': self.embeds, + 'probs': self.probs, + 'attention_mask': self.attention_mask, + 'h_E':self.edge_feats, + 'E_idx': batch['E_idx'], + 'batch_id': batch['batch_id']} + + + + def _get_features(self, S, score, X, mask, chain_mask, chain_encoding): + return self.PretrainPiFold._get_features(S, score, X, mask, chain_mask, chain_encoding) \ No newline at end of file diff --git a/Flexpert-Design/src/models/MemoryTuning.py b/Flexpert-Design/src/models/MemoryTuning.py new file mode 100644 index 0000000000000000000000000000000000000000..a071ffe7065b597056d8084214c1d85458ea221a --- /dev/null +++ b/Flexpert-Design/src/models/MemoryTuning.py @@ -0,0 +1,213 @@ +import torch +import torch.nn as nn +from .Tuning import GNNTuning_Model + + +class MemoTuning(nn.Module): + def __init__(self, args, tunning_layers_n, tunning_layers_dim, input_design_dim, input_esm_dim, tunning_dropout, tokenizer, fix_memory=False): + super().__init__() + self.args = args + self.tunning_layers_dim = tunning_layers_dim + self.GNNTuning = GNNTuning_Model(args, num_encoder_layers=tunning_layers_n, hidden_dim=tunning_layers_dim, input_design_dim=input_design_dim, input_esm_dim=input_esm_dim, dropout = tunning_dropout) + self.tokenizer = tokenizer + self.memory = {} + + def save_param_memory(self, path): + torch.save({"params":self.state_dict(),"memory": self.memory}, path) + + def load_param_memory(self, path): + data = torch.load(path) + self.load_state_dict(data['params']) + self.memory = data['memory'] + + def get_seqs(self, pred_ids_raw, attention_mask): + query_seqs = [] + for pred_ids, mask in zip(pred_ids_raw, attention_mask): + seq = self.tokenizer.decode(pred_ids[mask], clean_up_tokenization_spaces=False) + seq = "".join(seq.split(" ")) + query_seqs.append(seq) + return query_seqs + + def initoutput(self, pretrain_design, B, max_L, device): + # initialize output + self.out_pred_ids = torch.zeros_like(pretrain_design['pred_ids']) + self.out_confs = torch.zeros_like(pretrain_design['confs']) + self.out_embeds = torch.zeros(B, max_L, self.tunning_layers_dim, device = device) + self.out_attention_mask = torch.zeros_like(pretrain_design['attention_mask']) + self.out_probs = torch.zeros_like(pretrain_design['probs']) + self.out_log_probs = torch.zeros_like(pretrain_design['probs']) + self.titles = [None for i in range(B)] + + + + def retrivel(self, keys, num_nodes,device, use_memory): + unseen = [] + for idx in range(len(keys)): + key = keys[idx] + if (key in self.memory) and use_memory: + self.out_pred_ids[idx, :num_nodes[idx]] = self.memory[key]['pred_ids'].to(device) + self.out_confs[idx, :num_nodes[idx]] = self.memory[key]['confs'].to(device) + self.out_embeds[idx, :num_nodes[idx]] = self.memory[key]['embeds'].to(device) + self.out_attention_mask[idx, :num_nodes[idx]] = self.memory[key]['attention_mask'].to(device) + self.out_probs[idx, :num_nodes[idx]] = self.memory[key]['probs'].to(device) + self.out_log_probs[idx, :num_nodes[idx]] = self.memory[key]['log_probs'].to(device) + self.titles[idx] = key + else: + unseen.append(idx) + return unseen + + def rebatch(self,unseen, batch_id_raw, E_idx_raw, h_E_raw, shift, num_nodes, pretrain_design, pretrain_esm_msa, pretrain_struct, pretrain_esmif, device): + unseen_design_pred_ids = [] + unseen_design_confs = [] + unseen_design_embeds = [] + unseen_design_attention_mask = [] + + unseen_esm_pred_ids = [] + unseen_esm_confs = [] + unseen_esm_embeds = [] + unseen_esm_attention_mask = [] + unseen_struct_embeds = [] + unseen_esmif_embeds = [] + h_E = [] + E_idx = [] + batch_id = [] + + new_shift = 0 + for bid, i in enumerate(unseen): + edge_mask = batch_id_raw[E_idx_raw[0]] == i + h_E.append(h_E_raw[edge_mask]) + E_idx.append(E_idx_raw[:,edge_mask]-shift[i]+new_shift) + batch_id.append(torch.ones(num_nodes[i], device=device).long()*bid) + new_shift += num_nodes[i] + + unseen_design_pred_ids.append(pretrain_design['pred_ids'][i]) + unseen_design_confs.append(pretrain_design['confs'][i]) + unseen_design_embeds.append(pretrain_design['embeds'][i]) + unseen_design_attention_mask.append(pretrain_design['attention_mask'][i]) + + if self.args.use_LM: + unseen_esm_pred_ids.append(pretrain_esm_msa['pred_ids'][:,i]) + unseen_esm_confs.append(pretrain_esm_msa['confs'][:,i]) + unseen_esm_embeds.append(pretrain_esm_msa['embeds'][:,i]) + unseen_esm_attention_mask.append(pretrain_esm_msa['attention_mask'][:,i]) + + if self.args.use_gearnet: + unseen_struct_embeds.append(pretrain_struct['embeds'][:,i]) + + if self.args.use_esmif: + unseen_esmif_embeds.append(pretrain_esmif['embeds'][i]) + + + unseen_design_pred_ids = torch.stack(unseen_design_pred_ids) + unseen_design_confs = torch.stack(unseen_design_confs) + unseen_design_embeds = torch.stack(unseen_design_embeds) + unseen_design_attention_mask = torch.stack(unseen_design_attention_mask) + + if self.args.use_LM: + unseen_esm_pred_ids = torch.stack(unseen_esm_pred_ids, dim=1) + unseen_esm_confs = torch.stack(unseen_esm_confs, dim=1) + unseen_esm_embeds = torch.stack(unseen_esm_embeds, dim=1) + unseen_esm_attention_mask = torch.stack(unseen_esm_attention_mask, dim=1) + + if self.args.use_gearnet: + unseen_struct_embeds = torch.stack(unseen_struct_embeds, dim=1) + + if self.args.use_esmif: + unseen_esmif_embeds = torch.stack(unseen_esmif_embeds, dim=0) + + + unseen_batch = {"pretrain_design": + {"pred_ids": unseen_design_pred_ids, + "confs":unseen_design_confs, + "embeds": unseen_design_embeds, + "attention_mask":unseen_design_attention_mask}, + "h_E": torch.cat(h_E), + "E_idx": torch.cat(E_idx, dim=1), + "batch_id": torch.cat(batch_id), + "attention_mask":unseen_design_attention_mask + } + + if self.args.use_LM: + unseen_batch["pretrain_esm_msa"]={"pred_ids": unseen_esm_pred_ids, + "confs":unseen_esm_confs, + "embeds": unseen_esm_embeds, + "attention_mask":unseen_esm_attention_mask} + + if self.args.use_gearnet: + unseen_batch["pretrain_struct"] = { + "embeds":unseen_struct_embeds} + + if self.args.use_esmif: + unseen_batch["pretrain_esmif"] = {"embeds":unseen_esmif_embeds} + return unseen_batch + + def save2memory(self,keys,unseen,num_nodes, unseen_results): + # save to memory + for i in range(len(unseen)): + key = keys[unseen[i]] + num = num_nodes[unseen[i]] + self.memory[key] = {"pred_ids":unseen_results['pred_ids'][i][:num].detach().to('cpu'), + "confs":unseen_results['confs'][i][:num].detach().to('cpu'), + "embeds":unseen_results['embeds'][i][:num].detach().to('cpu'), + "probs":unseen_results['probs'][i][:num].detach().to('cpu'), + "log_probs":unseen_results['log_probs'][i][:num].detach().to('cpu'), + "attention_mask":unseen_results['attention_mask'][i][:num].detach().to('cpu')} + + def update(self, unseen, num_nodes, unseen_results, keys): + # update + for i in range(len(unseen)): + num = num_nodes[unseen[i]] + self.out_pred_ids[unseen[i], :num] = unseen_results['pred_ids'][i][:num] + self.out_confs[unseen[i], :num] = unseen_results['confs'][i][:num] + self.out_embeds[unseen[i], :num] = unseen_results['embeds'][i][:num] + self.out_probs[unseen[i], :num] = unseen_results['probs'][i][:num] + self.out_log_probs[unseen[i], :num] = unseen_results['log_probs'][i][:num] + self.titles[unseen[i]] = keys[unseen[i]] + + def forward(self, batch, use_memory=False): + self.use_memory = use_memory + pretrain_design, h_E_raw, E_idx_raw, mask_attend, batch_id_raw = batch['pretrain_design'] ,batch['h_E'], batch['E_idx'], batch['attention_mask'], batch['batch_id'] + device = h_E_raw.device + + pretrain_esm_msa = None + if self.args.use_LM: + pretrain_esm_msa = batch['pretrain_esm_msa'] + + pretrain_struct = None + if self.args.use_gearnet: + pretrain_struct = batch['pretrain_struct'] + + pretrain_esmif = None + if self.args.use_esmif: + pretrain_esmif = batch['esm_feat'] + + + num_nodes = batch['attention_mask'].sum(dim=-1) + shift = torch.cat([torch.zeros(1, device=device), torch.cumsum(num_nodes, dim=0)]).long() + + B, max_L = num_nodes.shape[0], num_nodes.max() + + self.initoutput(pretrain_design, B, max_L, device) + + + # keys = list(zip(design_seqs, *lm_seqs)) + keys = batch['title'] + unseen = self.retrivel(keys, num_nodes,device, use_memory) + + + if len(unseen)>0: + unseen_batch = self.rebatch(unseen, batch_id_raw, E_idx_raw, h_E_raw, shift, num_nodes, pretrain_design, pretrain_esm_msa, pretrain_struct, pretrain_esmif, device) + unseen_results = self.GNNTuning(unseen_batch) + + self.save2memory(keys,unseen,num_nodes, unseen_results) + self.update(unseen, num_nodes, unseen_results, keys) + + return {'title':self.titles,'pred_ids':self.out_pred_ids, 'confs':self.out_confs, 'embeds':self.out_embeds, 'probs':self.out_probs, "log_probs":self.out_log_probs, 'attention_mask':pretrain_design['attention_mask']} + + + + + + + + \ No newline at end of file diff --git a/Flexpert-Design/src/models/PretrainESMIF_model.py b/Flexpert-Design/src/models/PretrainESMIF_model.py new file mode 100644 index 0000000000000000000000000000000000000000..e4084d3afd446160a74acc579eb062e1cd1ea3bb --- /dev/null +++ b/Flexpert-Design/src/models/PretrainESMIF_model.py @@ -0,0 +1,32 @@ +import esm +import torch.nn as nn +import torch +from esm.inverse_folding.util import CoordBatchConverter + +class PretrainESMIF_Model(nn.Module): + def __init__(self): + super(PretrainESMIF_Model, self).__init__() + # /root/.cache/torch/hub/checkpoints + model_data = torch.load("./model_zoo/esmif/esm_if1_gvp4_t16_142M_UR50.pt") + self.model, self.alphabet = esm.pretrained.load_model_and_alphabet_core("esm_if1_gvp4_t16_142M_UR50", model_data, None) + + def forward(self, coords_list): + self.model.eval() + batch_converter = CoordBatchConverter(self.model.decoder.dictionary) + batch_coords, confidence, _, _, padding_mask = ( + batch_converter([(coord, None, None) for coord in coords_list], device=coords_list[0].device) + ) + with torch.no_grad(): + encoder_out = self.model.encoder(batch_coords, padding_mask, confidence) + + feat = encoder_out['encoder_out'][0].permute(1,0,2)[:,1:-1] # 2,1046-2,512 + attention_mask = encoder_out['encoder_padding_mask'][0][:,1:-1]==False # 2,1046-2 + + return {"feat":feat} + +if __name__ == '__main__': + model = PretrainESMIF_Model(0.1) + coords1 = torch.rand(1044,3,3)#N, CA, C + coords2 = torch.rand(500,3,3) + model([coords1, coords2]) + print() \ No newline at end of file diff --git a/Flexpert-Design/src/models/PretrainESM_model.py b/Flexpert-Design/src/models/PretrainESM_model.py new file mode 100644 index 0000000000000000000000000000000000000000..7932e6fcb624b92a929d4d2def544afd9a0c4ac1 --- /dev/null +++ b/Flexpert-Design/src/models/PretrainESM_model.py @@ -0,0 +1,35 @@ +import time +import torch +import math +import torch.nn as nn +from transformers import AutoTokenizer, EsmForMaskedLM # EsmForMaskedLM, 1041 line +import torch + + +class PretrainESM_Model(nn.Module): + def __init__(self, args): + """ Graph labeling network """ + super(PretrainESM_Model, self).__init__() + self.args=args + # {0: '', 1: '', 2: '', 3: '', 4: 'L', 5: 'A', 6: 'G', 7: 'V', 8: 'S', 9: 'E', 10: 'R', 11: 'T', 12: 'I', 13: 'D', 14: 'P', 15: 'K', 16: 'Q', 17: 'N', 18: 'F', 19: 'Y', 20: 'M', 21: 'H', 22: 'W', 23: 'C', 24: 'X', 25: 'B', 26: 'U', 27: 'Z', 28: 'O', 29: '.', 30: '-', 31: '', 32: ''} + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + self.model = EsmForMaskedLM.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + + + def forward(self,batch): + outputs = self.model(input_ids=batch['pred_ids'], attention_mask=batch['attention_mask']) + logits = outputs.logits + + prop = logits.softmax(dim=-1) + confidences, pred_ids = prop.max(dim=-1) + + ret = {"pred_ids": pred_ids, + "confs": confidences, + "embeds": outputs.hidden_states, + "attention_mask": batch['attention_mask']} + return ret + +if __name__ == '__main__': + tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + tokenizer.convert_ids_to_tokens + print() \ No newline at end of file diff --git a/Flexpert-Design/src/models/PretrainPiFold_model.py b/Flexpert-Design/src/models/PretrainPiFold_model.py new file mode 100644 index 0000000000000000000000000000000000000000..227177f86153917771f00ae91230f9070b622df1 --- /dev/null +++ b/Flexpert-Design/src/models/PretrainPiFold_model.py @@ -0,0 +1,64 @@ +import torch +import os.path as osp +from src.models.pifold_model import PiFold_Model +import torch.nn.functional as F + + +class PretrainPiFold_Model(PiFold_Model): + def __init__(self, args, **kwargs): + """ Graph labeling network """ + PiFold_Model.__init__(self, args) + if args.augment_eps>0: + pretrain_pifold_path = osp.join(self.args.res_dir, self.args.dataset, f"PiFold_{args.augment_eps}", "checkpoint.pth") + else: + # pretrain_pifold_path = osp.join(self.args.res_dir, self.args.dataset, "PiFold", "checkpoint.pth") + pretrain_pifold_path = osp.join('model_zoo', self.args.dataset, "PiFold", "checkpoint.pth") + self.load_state_dict(torch.load(pretrain_pifold_path)) + + @torch.no_grad() + def forward(self, batch): + h_V, h_P, P_idx, batch_id = batch['h_V'], batch['h_E'], batch['E_idx'], batch['batch_id'] + device = h_V.device + h_V = self.W_v(self.norm_nodes(self.node_embedding(h_V))) + h_P = self.W_e(self.norm_edges(self.edge_embedding(h_P))) + + h_V, h_P = self.encoder(h_V, h_P, P_idx, batch_id) + log_probs, logits = self.decoder(h_V, batch_id) + probs = F.softmax(logits, dim=-1) + conf, pred_id = probs.max(dim=-1) + + maxL = 0 + for b in batch_id.unique(): + mask = batch_id==b + L = mask.sum() + if L>maxL: + maxL=L + + confs = [] + seqs = [] + embeds = [] + probs2 = [] + for b in batch_id.unique(): + mask = batch_id==b + # elements = [alphabet[int(id)] for id in pred_id[mask]] + elements = self.tokenizer.decode(pred_id[mask]).split(" ") + seqs.append(elements) + confs.append(conf[mask]) + embeds.append(h_V[mask]) + probs2.append(probs[mask]) + + seqs = self.tokenizer(["".join(one) for one in seqs], padding=True, truncation=True, return_tensors='pt', add_special_tokens=False) + confs = torch.stack([F.pad(one, (0, maxL-len(one))) for one in confs]) + embeds = torch.stack([F.pad(one, (0,0, 0, maxL-len(one))) for one in embeds]) + probs2 = torch.stack([F.pad(one, (0,0, 0, maxL-len(one)), value=1/33) for one in probs2]) + + ret = {"pred_ids":seqs['input_ids'].to(device), + "confs":confs, + "embeds":embeds, + "probs":probs2, + "attention_mask":seqs['attention_mask'].to(device), + "E_idx":P_idx, + "batch_id":batch_id, + "h_E":h_P} + return ret + diff --git a/Flexpert-Design/src/models/Tuning.py b/Flexpert-Design/src/models/Tuning.py new file mode 100644 index 0000000000000000000000000000000000000000..9869518ad00a31e435511778645f643964e8ffc6 --- /dev/null +++ b/Flexpert-Design/src/models/Tuning.py @@ -0,0 +1,275 @@ +import torch.nn as nn +from src.modules.pifold_module import * +from torch_scatter import scatter_softmax, scatter_log_softmax + +def positional_encoding(x): + batch_size, seq_len, hidden_size = x.size() + pos = torch.arange(0, seq_len).float().unsqueeze(1).repeat(1, hidden_size // 2) + div = torch.exp(torch.arange(0, hidden_size, 2).float() * (-torch.log(torch.tensor(10000.0)) / hidden_size)) + sin = torch.sin(pos * div) + cos = torch.cos(pos * div) + pos_encoding = torch.cat([sin, cos], dim=-1).unsqueeze(0).repeat(batch_size, 1, 1) + return pos_encoding + + +class MSAAttention(nn.Module): + def __init__(self, hidden_dim) -> None: + super().__init__() + self.MSA_Q = nn.Linear(hidden_dim, hidden_dim) + self.MSA_K = nn.Linear(hidden_dim, hidden_dim) + self.MSA_V = nn.Linear(hidden_dim, hidden_dim) + + def forward(self, inputs_embeds): + pos_enc = positional_encoding(inputs_embeds) + inputs_embeds = inputs_embeds + pos_enc + + query = self.MSA_Q(inputs_embeds) # shape: [batch, N, 128] + key = self.MSA_K(inputs_embeds) # shape: [batch, N, 128] + value = self.MSA_V(inputs_embeds) # shape: [batch, N, 128] + attn_scores = torch.bmm(query, key.transpose(1, 2)) + attn_weights = nn.functional.softmax(attn_scores, dim=2) + + attn_output = torch.bmm(attn_weights, value) + return attn_output + + +class GNNTuning_Model(nn.Module): + def __init__(self, args, num_encoder_layers, hidden_dim, input_design_dim, input_esm_dim, input_struct_dim=3072, input_esmif_dim=512, dropout=0.1): + super(GNNTuning_Model, self).__init__() + self.args = args + encoder_layers = [] + for i in range(num_encoder_layers): + encoder_layers.append( + GeneralGNN(hidden_dim, hidden_dim*2, dropout=dropout, node_net = "AttMLP", edge_net = "EdgeMLP", node_context = 1, edge_context = 0), + ) + self.encoder_layers = nn.Sequential(*encoder_layers) + + from transformers import AutoTokenizer + from transformers.models.esm.modeling_esm import EsmModel, EsmEmbeddings + from transformers.models.esm.configuration_esm import EsmConfig + + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + config = EsmConfig(attention_probs_dropout_prob=0, + hidden_size=hidden_dim, + intermediate_size=1280, + mask_token_id=32, + num_attention_heads=12, + num_hidden_layers=3, + pad_token_id=1, + position_embedding_type="rotary", + token_dropout=False, + vocab_size=33 + ) + + self.DesignEmbed = EsmEmbeddings(config) + self.ESMEmbed = EsmEmbeddings(config) + self.EdgeEmbed = nn.Sequential(nn.Linear(416+16+16, 512), + nn.ReLU(), + nn.Linear(512, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim,hidden_dim)) + + self.DesignConf = nn.Sequential(nn.Linear(1, 128), + nn.ReLU(), + nn.Linear(128, 128), + nn.ReLU(), + nn.Linear(128,1), + nn.Sigmoid()) + + self.ESMConf = nn.Sequential(nn.Linear(1, 128), + nn.ReLU(), + nn.Linear(128, 128), + nn.ReLU(), + nn.Linear(128,1)) + + self.DesignProj = nn.Sequential(nn.Linear(input_design_dim, 512), + nn.ReLU(), + nn.Linear(512, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim,hidden_dim)) + + self.ESMProj = nn.Sequential(nn.Linear(input_esm_dim, 512), + nn.ReLU(), + nn.Linear(512, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim,hidden_dim)) + + self.StructProj = nn.Sequential(nn.Linear(input_struct_dim, 512), + nn.ReLU(), + nn.Linear(512, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim,hidden_dim)) + + self.ESMIFProj = nn.Sequential(nn.Linear(input_esmif_dim, 512), + nn.ReLU(), + nn.Linear(512, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim,hidden_dim)) + + self.ReadOut = nn.Linear(hidden_dim,33) + # self.TimeEmbed = nn.Embedding(20, hidden_dim) + # self.ProbEmbed = nn.Sequential(nn.Linear(33, 512), + # nn.ReLU(), + # nn.Linear(512, hidden_dim), + # nn.ReLU(), + # nn.Linear(hidden_dim,hidden_dim)) + + self.MLP1 = nn.Sequential(nn.Linear(1, 512), + nn.ReLU(), + nn.Linear(512, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim,1), + nn.Sigmoid()) + + self.MLP2 = nn.Sequential(nn.Linear(1, 512), + nn.ReLU(), + nn.Linear(512, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim,1), + nn.Sigmoid()) + + + + + # def embed_gnn(self, pretrain_gnn, mask_select_id, mask_select_feat): + # gnn_embed = self.DesignEmbed(mask_select_id(pretrain_gnn['pred_ids'])).squeeze() + # gnn_conf = self.DesignConf(mask_select_id(pretrain_gnn['confs'])) + # gnn_proj = self.DesignProj(mask_select_feat(pretrain_gnn['embeds'])) + + # if self.args.use_confembed: + # return gnn_embed*F.sigmoid(gnn_conf) + gnn_proj + # else: + # return gnn_embed + gnn_proj + + # def embed_esm(self, pretrain_esm, mask_select_id, mask_select_feat): + # esm_embed = self.ESMEmbed(mask_select_id(pretrain_esm['pred_ids'])).squeeze() + # esm_conf = self.ESMConf(mask_select_id(pretrain_esm['confs'])) + # esm_proj = self.ESMProj(mask_select_feat(pretrain_esm['embeds'])) + # if self.args.use_confembed: + # return esm_embed*F.sigmoid(esm_conf) + esm_proj + # else: + # return esm_embed + esm_proj + + # def embed_struct(self, pretrain_struct, mask_select_feat): + # struct_proj = self.StructProj(mask_select_feat(pretrain_struct['embeds'])) + # return struct_proj + + # def embed_esmif(self, pretrain_esmif, mask_select_feat): + # struct_proj = self.ESMIFProj(mask_select_feat(pretrain_esmif['embeds'])) + # return struct_proj + + def fuse(self, mask_select_feat, mask_select_id, gnn_embed=None, esm_embed=None, gearnet_embed=None, esmif_embed=None, gnn_pred_id=None, esm_pred_id=None, confidence=None, confidence_esm=None): + gnn, esm, gearnet, esmif, conf = 0, 0, 0, 0, 1.0 + if gnn_embed is not None: + gnn = self.DesignProj(mask_select_feat(gnn_embed)) + gnn += self.DesignEmbed(mask_select_id(gnn_pred_id)).squeeze() + + if esm_embed is not None: + esm = self.ESMProj(mask_select_feat(esm_embed)) + esm += self.ESMEmbed(mask_select_id(esm_pred_id)).squeeze() + + if gearnet_embed is not None: + gearnet = self.StructProj(mask_select_feat(gearnet_embed)) + + if esmif_embed is not None: + esmif = self.ESMIFProj(mask_select_feat(esmif_embed)) + + if conf is not None: + conf = self.DesignConf(mask_select_id(confidence)) + esm_conf = self.ESMConf(mask_select_id(confidence_esm)) + + return (gnn*conf+esm*esm_conf+gearnet+esmif) + + + def forward(self, batch): + pretrain_design, h_E_raw, E_idx, mask_attend, batch_id = batch['pretrain_design'], batch['h_E'], batch['E_idx'], batch['attention_mask'], batch['batch_id'] + + if self.args.use_LM: + pretrain_esm_msa = batch['pretrain_esm_msa'] + + if self.args.use_gearnet: + pretrain_struct = batch['pretrain_struct'] + + if self.args.use_esmif: + pretrain_esmif = batch['pretrain_esmif'] + + mask_select_id = lambda x: torch.masked_select(x, mask_attend.bool()).reshape(-1,1) + mask_select_feat = lambda x: torch.masked_select(x, mask_attend.bool().unsqueeze(-1)).reshape(-1,x.shape[-1]) + + inputs_embeds = 0 + for i in range(self.args.msa_n): + gnn_embed = pretrain_design['embeds'] + esm_embed = pretrain_esm_msa['embeds'][i] if self.args.use_LM else None + gearnet_embed = pretrain_struct['embeds'][i] if self.args.use_gearnet else None + esmif_embed = pretrain_esmif['embeds'] if self.args.use_esmif else None + confidence = pretrain_design['confs'] + confidence_esm = pretrain_esm_msa['confs'][i] + inputs_embeds += self.fuse(mask_select_feat, mask_select_id, gnn_embed, esm_embed, gearnet_embed, esmif_embed, pretrain_design['pred_ids'], pretrain_esm_msa['pred_ids'][i], confidence, confidence_esm) + + h_V = inputs_embeds + h_E = self.EdgeEmbed(h_E_raw) + + for layer in self.encoder_layers: + h_V, h_E = layer(h_V, h_E, E_idx, batch_id) + + logits = self.ReadOut(h_V) + + # confidence update + old_confs = mask_select_id(pretrain_design['confs']) + confs = torch.softmax(logits, dim=-1).max(dim=-1)[0][:,None] + h_V = h_V*self.MLP1(confs-old_confs) + inputs_embeds*self.MLP2(old_confs-confs) + logits = self.ReadOut(h_V) + + B, N = pretrain_design['confs'].shape + vocab_size = logits.shape[-1] + + new_logits = torch.zeros(B,N,vocab_size, device=logits.device).reshape(B*N, vocab_size) + new_logits = new_logits.masked_scatter_(mask_attend.bool().view(-1,1), logits) + new_logits = new_logits.reshape(B,N,vocab_size) + log_probs = torch.log_softmax(new_logits, dim=-1) + + device = logits.device + seqs, confs, embeds, probs2 = self.to_matrix(h_V, logits, batch_id) + + + ret = {"pred_ids":seqs['input_ids'].to(device), + "confs":confs, + "embeds":embeds, + "probs":probs2, + "attention_mask":seqs['attention_mask'].to(device), + "h_E":h_E_raw, + "E_idx":E_idx, + "batch_id":batch_id, + "log_probs":log_probs} + return ret + + def to_matrix(self, h_V, logits, batch_id): + + probs = F.softmax(logits, dim=-1) + conf, pred_id = probs.max(dim=-1) + + maxL = 0 + for b in batch_id.unique(): + mask = batch_id==b + L = mask.sum() + if L>maxL: + maxL=L + + confs = [] + seqs = [] + embeds = [] + probs2 = [] + for b in batch_id.unique(): + mask = batch_id==b + # elements = [alphabet[int(id)] for id in pred_id[mask]] + elements = self.tokenizer.decode(pred_id[mask]).split(" ") + seqs.append(elements) + confs.append(conf[mask]) + embeds.append(h_V[mask]) + probs2.append(probs[mask]) + + seqs = self.tokenizer(["".join(one) for one in seqs], padding=True, truncation=True, return_tensors='pt', add_special_tokens=False) + confs = torch.stack([F.pad(one, (0, maxL-len(one))) for one in confs]) + embeds = torch.stack([F.pad(one, (0,0, 0, maxL-len(one))) for one in embeds]) + probs2 = torch.stack([F.pad(one, (0,0, 0, maxL-len(one)), value=1/33) for one in probs2]) + return seqs, confs, embeds, probs2 diff --git a/Flexpert-Design/src/models/__init__.py b/Flexpert-Design/src/models/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..edcd5a918ef8e324fbb30f0309763a58344996e9 --- /dev/null +++ b/Flexpert-Design/src/models/__init__.py @@ -0,0 +1,16 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +# from .alphadesign_model import AlphaDesign_Model +# from .esmif_model import GVPTransformerModel as ESMIF_Model +# from .gca_model import GCA_Model +# from .graphtrans_model import GraphTrans_Model +# from .gvp_model import GVP_Model +# from .pifold_model import PiFold_Model +from .proteinmpnn_model import ProteinMPNN_Model +# from .structgnn_model import StructGNN_Model +# from .kwdesign_model import KWDesign_model + +__all__ = [ + 'AlphaDesign_Model', 'ESMIF_Model', 'GCA_Model', 'GraphTrans_Model', 'GVP_Model', + 'PiFold_Model', 'ProteinMPNN_Model', 'StructGNN_Model', 'KWDesign_model' +] \ No newline at end of file diff --git a/Flexpert-Design/src/models/alphadesign_model.py b/Flexpert-Design/src/models/alphadesign_model.py new file mode 100644 index 0000000000000000000000000000000000000000..517ced7e00f6d7b300b0935265fb48bd87b0b2ae --- /dev/null +++ b/Flexpert-Design/src/models/alphadesign_model.py @@ -0,0 +1,138 @@ +import torch +import torch.nn as nn + +from src.modules.alphadesign_module import ATDecoder, CNNDecoder, CNNDecoder2, StructureEncoder +from src.tools.design_utils import gather_nodes, _dihedrals, _rbf, _orientations_coarse_gl + + +class AlphaDesign_Model(nn.Module): + def __init__(self, args, **kwargs): + """ Graph labeling network """ + super(AlphaDesign_Model, self).__init__() + self.args = args + node_features = args.node_features + edge_features = args.edge_features + hidden_dim = args.hidden_dim + dropout = args.dropout + num_encoder_layers = args.num_encoder_layers + self.top_k = args.k_neighbors + self.num_rbf = 16 + self.num_positional_embeddings = 16 + + if args.use_new_feat: + node_in, edge_in = 12, 16+7 + else: + node_in, edge_in = 6, 16+7 + self.node_embedding = nn.Linear(node_in, node_features, bias=True) + self.edge_embedding = nn.Linear(edge_in, edge_features, bias=True) + self.norm_nodes = nn.BatchNorm1d(node_features) + self.norm_edges = nn.BatchNorm1d(edge_features) + + self.W_v = nn.Sequential( + nn.Linear(node_features, hidden_dim, bias=True), + nn.LeakyReLU(), + nn.BatchNorm1d(hidden_dim), + nn.Linear(hidden_dim, hidden_dim, bias=True), + nn.LeakyReLU(), + nn.BatchNorm1d(hidden_dim), + nn.Linear(hidden_dim, hidden_dim, bias=True) + ) + + + self.W_e = nn.Linear(edge_features, hidden_dim, bias=True) + self.W_f = nn.Linear(edge_features, hidden_dim, bias=True) + + self.encoder = StructureEncoder(hidden_dim, num_encoder_layers, dropout, use_SGT=self.args.use_SGT) + + if args.autoregressive: + self.decoder = ATDecoder(args, hidden_dim, dropout) + else: + self.decoder = CNNDecoder(hidden_dim, hidden_dim) + self.decoder2 = CNNDecoder2(hidden_dim, hidden_dim) + + # self.chain_embed = nn.Embedding(2,16) + self._init_params() + + def forward(self, batch, AT_test = False, return_logit=False): + h_V, h_P, P_idx, batch_id = batch['_V'], batch['_E'], batch['E_idx'], batch['batch_id'] + h_V = self.W_v(self.norm_nodes(self.node_embedding(h_V))) + h_P = self.W_e(self.norm_edges(self.edge_embedding(h_P))) + + h_V = self.encoder(h_V, h_P, P_idx, batch_id) + log_probs0 = None + if AT_test: + log_probs = self.decoder.sampling(h_V, h_P, P_idx, batch_id) + else: + log_probs0, logits = self.decoder(h_V, batch_id) + log_probs, logits = self.decoder2(h_V, logits, batch_id) + if return_logit: + return {'log_probs': log_probs, 'logits': logits} + else: + return {'log_probs': log_probs, 'log_probs0': log_probs0} + + def _init_params(self): + for p in self.parameters(): + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + def _full_dist(self, X, mask, top_k=30, eps=1E-6): + mask_2D = torch.unsqueeze(mask,1) * torch.unsqueeze(mask,2) + dX = torch.unsqueeze(X,1) - torch.unsqueeze(X,2) + D = (1. - mask_2D)*10000 + 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+1) + D_neighbors, E_idx = torch.topk(D_adjust, min(top_k, D_adjust.shape[-1]), dim=-1, largest=False) + return D_neighbors, E_idx + + def _get_features(self, batch): + S, score, X, mask = batch['S'], batch['score'], batch['X'], batch['mask'] + mask_bool = (mask==1) + + B, N, _,_ = X.shape + X_ca = X[:,:,1,:] + D_neighbors, E_idx = self._full_dist(X_ca, mask, self.top_k) + + # sequence + S = torch.masked_select(S, mask_bool) + if score is not None: + score = torch.masked_select(score, mask_bool) + + # node feature + _V = _dihedrals(X) + if not self.args.use_new_feat: + _V = _V[...,:6] + _V = torch.masked_select(_V, mask_bool.unsqueeze(-1)).reshape(-1,_V.shape[-1]) + + # edge feature + _E = torch.cat((_rbf(D_neighbors, self.num_rbf), _orientations_coarse_gl(X, E_idx)), -1) # [4,387,387,23] + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) # 一阶邻居节点的mask: 1代表节点存在, 0代表节点不存在 + mask_attend = (mask.unsqueeze(-1) * mask_attend) == 1 # 自身的mask*邻居节点的mask + _E = torch.masked_select(_E, mask_attend.unsqueeze(-1)).reshape(-1,_E.shape[-1]) + + # edge index + shift = mask.sum(dim=1).cumsum(dim=0) - mask.sum(dim=1) + src = shift.view(B,1,1) + E_idx + src = torch.masked_select(src, mask_attend).view(1,-1) + dst = shift.view(B,1,1) + torch.arange(0, N, device=src.device).view(1,-1,1).expand_as(mask_attend) + dst = torch.masked_select(dst, mask_attend).view(1,-1) + E_idx = torch.cat((dst, src), dim=0).long() + + + # 3D point + sparse_idx = mask.nonzero() + X = X[sparse_idx[:,0],sparse_idx[:,1],:,:] + batch_id = sparse_idx[:,0] + + mask = torch.masked_select(mask, mask_bool) + + batch.update({'X':X, + 'S':S, + 'score':score, + '_V':_V, + '_E':_E, + 'E_idx':E_idx, + 'batch_id': batch_id, + 'mask':mask}) + + return batch \ No newline at end of file diff --git a/Flexpert-Design/src/models/anm_prottrans.py b/Flexpert-Design/src/models/anm_prottrans.py new file mode 100644 index 0000000000000000000000000000000000000000..cc1d53e0c4afa57f0f2745e42d7fcd0d6aa45c9c --- /dev/null +++ b/Flexpert-Design/src/models/anm_prottrans.py @@ -0,0 +1,677 @@ +#import dependencies +import os.path + +import torch +import torch.nn as nn +import torch.nn.functional as F +from torch.nn import BCEWithLogitsLoss, CrossEntropyLoss, MSELoss +from torch.utils.data import DataLoader + +import re +import numpy as np +import pandas as pd +import copy +import pdb + +import transformers, datasets +from transformers.modeling_outputs import TokenClassifierOutput, BaseModelOutputWithPastAndCrossAttentions +from transformers.models.t5.modeling_t5 import T5Config, T5PreTrainedModel, T5Stack +from transformers.utils.model_parallel_utils import assert_device_map, get_device_map +from transformers import T5EncoderModel, T5Tokenizer +from transformers import TrainingArguments, Trainer, set_seed +from safetensors import safe_open + +#DataCollator +from transformers.data.data_collator import DataCollatorMixin +from transformers.tokenization_utils_base import PreTrainedTokenizerBase +from transformers.utils import PaddingStrategy + +import random +import warnings +from collections.abc import Mapping +from dataclasses import dataclass +from random import randint +from typing import Any, Callable, Dict, List, NewType, Optional, Tuple, Union + +from evaluate import load +from datasets import Dataset + +from tqdm import tqdm +import random + +from scipy import stats +from sklearn.metrics import accuracy_score + +import matplotlib.pyplot as plt + +from Bio import SeqIO +from io import StringIO +import requests +import tempfile + +from sklearn.model_selection import train_test_split +import csv + + +#### UTILS + +class LoRAConfig: + def __init__(self): + self.lora_rank = 4 + self.lora_init_scale = 0.01 + self.lora_modules = ".*SelfAttention|.*EncDecAttention" + self.lora_layers = "q|k|v|o" + self.trainable_param_names = ".*layer_norm.*|.*lora_[ab].*" + self.lora_scaling_rank = 1 + # lora_modules and lora_layers are speicified with regular expressions + # see https://www.w3schools.com/python/python_regex.asp for reference + +class LoRALinear(nn.Module): + def __init__(self, linear_layer, rank, scaling_rank, init_scale): + super().__init__() + self.in_features = linear_layer.in_features + self.out_features = linear_layer.out_features + self.rank = rank + self.scaling_rank = scaling_rank + self.weight = linear_layer.weight + self.bias = linear_layer.bias + if self.rank > 0: + self.lora_a = nn.Parameter(torch.randn(rank, linear_layer.in_features) * init_scale) + if init_scale < 0: + self.lora_b = nn.Parameter(torch.randn(linear_layer.out_features, rank) * init_scale) + else: + self.lora_b = nn.Parameter(torch.zeros(linear_layer.out_features, rank)) + if self.scaling_rank: + self.multi_lora_a = nn.Parameter( + torch.ones(self.scaling_rank, linear_layer.in_features) + + torch.randn(self.scaling_rank, linear_layer.in_features) * init_scale + ) + if init_scale < 0: + self.multi_lora_b = nn.Parameter( + torch.ones(linear_layer.out_features, self.scaling_rank) + + torch.randn(linear_layer.out_features, self.scaling_rank) * init_scale + ) + else: + self.multi_lora_b = nn.Parameter(torch.ones(linear_layer.out_features, self.scaling_rank)) + + def forward(self, input): + if self.scaling_rank == 1 and self.rank == 0: + # parsimonious implementation for ia3 and lora scaling + if self.multi_lora_a.requires_grad: + hidden = F.linear((input * self.multi_lora_a.flatten()), self.weight, self.bias) + else: + hidden = F.linear(input, self.weight, self.bias) + if self.multi_lora_b.requires_grad: + hidden = hidden * self.multi_lora_b.flatten() + return hidden + else: + # general implementation for lora (adding and scaling) + weight = self.weight + if self.scaling_rank: + weight = weight * torch.matmul(self.multi_lora_b, self.multi_lora_a) / self.scaling_rank + if self.rank: + weight = weight + torch.matmul(self.lora_b, self.lora_a) / self.rank + return F.linear(input, weight, self.bias) + + def extra_repr(self): + return "in_features={}, out_features={}, bias={}, rank={}, scaling_rank={}".format( + self.in_features, self.out_features, self.bias is not None, self.rank, self.scaling_rank + ) + + +def modify_with_lora(transformer, config): + for m_name, module in dict(transformer.named_modules()).items(): + if re.fullmatch(config.lora_modules, m_name): + for c_name, layer in dict(module.named_children()).items(): + if re.fullmatch(config.lora_layers, c_name): + assert isinstance( + layer, nn.Linear + ), f"LoRA can only be applied to torch.nn.Linear, but {layer} is {type(layer)}." + setattr( + module, + c_name, + LoRALinear(layer, config.lora_rank, config.lora_scaling_rank, config.lora_init_scale), + ) + return transformer + +class ClassConfig: + def __init__(self, dropout=0.2, num_labels=1, add_pearson_loss=False, add_sse_loss=False, adaptor_architecture = None , enm_embed_dim = 512, enm_att_heads = 8, kernel_size = 3, num_layers = 2, **kwargs): + self.dropout_rate = dropout + self.num_labels = num_labels + self.add_pearson_loss = add_pearson_loss + self.add_sse_loss = add_sse_loss + self.adaptor_architecture = adaptor_architecture + self.enm_embed_dim = enm_embed_dim + self.enm_att_heads = enm_att_heads + self.kernel_size = kernel_size + self.num_layers = num_layers + +class ENMAdaptedAttentionClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim, enm_embed_dim, num_att_heads): + super(ENMAdaptedAttentionClassifier, self).__init__() + self.embedding = nn.Linear(1, enm_embed_dim) + self.enm_attention = nn.MultiheadAttention(enm_embed_dim, num_att_heads) + self.layer_norm = nn.LayerNorm(enm_embed_dim) + self.enm_adaptor = nn.Linear(enm_embed_dim, seq_embedding_dim) + self.adapted_classifier = nn.Linear(2*seq_embedding_dim, out_dim) + + def forward(self, seq_embedding, enm_input): + enm_input = enm_input.transpose(0, 1) # Transpose to shape (N, B, E) for MultiheadAttention + enm_input = enm_input.unsqueeze(-1) # Add a dimension for the embedding + enm_input_embedded = self.embedding(enm_input) + enm_att, _ = self.enm_attention(enm_input_embedded, enm_input_embedded, enm_input_embedded) + enm_att = enm_att.transpose(0, 1) # Transpose back to shape (B, N, E) + enm_att = self.layer_norm(enm_att + enm_input.transpose(0, 1)) + enm_embedding = self.enm_adaptor(enm_att) + combined_embedding = torch.cat((seq_embedding, enm_embedding), dim=-1) + logits = self.adapted_classifier(combined_embedding) + return logits + +class ENMAdaptedConvClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim, kernel_size, enm_embedding_dim, num_layers): + super(ENMAdaptedConvClassifier, self).__init__() + layers = [] + self.conv1 = nn.Conv1d(1, enm_embedding_dim, kernel_size=kernel_size, padding=(kernel_size-1)//2) + layers.append(self.conv1) + layers.append(nn.ReLU()) + for i in range(num_layers-1): + layers.append(nn.Conv1d(enm_embedding_dim, enm_embedding_dim, kernel_size=kernel_size, padding=(kernel_size-1)//2)) + layers.append(nn.ReLU()) + self.conv_net = nn.Sequential(*layers) + self.adapted_classifier = nn.Linear(seq_embedding_dim+1, out_dim) + + def forward(self, seq_embedding, enm_input, attention_mask=None): + enm_input = torch.nan_to_num(enm_input, nan=0.0) + enm_input = enm_input.unsqueeze(1) + conv_out = self.conv_net(enm_input) + enm_embedding = conv_out.transpose(1,2) + + if attention_mask is not None: + # Use attention_mask to ignore padded elements + mask = attention_mask.unsqueeze(-1).float() + enm_embedding = enm_embedding * mask + # Compute mean over non-padded elements + + enm_embedding = enm_embedding.mean(dim=-1).unsqueeze(-1) + # enm_embedding = enm_embedding.sum(dim=2)/ mask.sum(dim=2).clamp(min=1e-9) + else: + raise ValueError('We actually want to provide the mask.') + enm_embedding = torch.mean(enm_embedding, dim=1) + + # enm_embedding = enm_embedding.unsqueeze(1).expand(-1, seq_embedding.size(1), -1) + combined_embedding = torch.cat((seq_embedding, enm_embedding), dim=-1) + logits = self.adapted_classifier(combined_embedding) + return logits + + + +class ENMAdaptedDirectClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim): + super(ENMAdaptedDirectClassifier, self).__init__() + self.adapted_classifier = nn.Linear(seq_embedding_dim+1, out_dim) + + def forward(self, seq_embedding, enm_input): + enm_input = enm_input.unsqueeze(-1) + combined_embedding = torch.cat((seq_embedding, enm_input), dim=-1) + logits = self.adapted_classifier(combined_embedding) + return logits + +class ENMNoAdaptorClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim): + super(ENMNoAdaptorClassifier, self).__init__() + self.adapted_classifier = nn.Linear(seq_embedding_dim, out_dim) + + def forward(self, seq_embedding, enm_input): + _ = enm_input #ignoring enm_input + logits = self.adapted_classifier(seq_embedding) + return logits + + +class T5EncoderForTokenClassification(T5PreTrainedModel): + + def __init__(self, config: T5Config, class_config): + super().__init__(config) + self.num_labels = class_config.num_labels + self.config = config + self.add_pearson_loss = class_config.add_pearson_loss + self.add_sse_loss = class_config.add_sse_loss + self.shared = nn.Embedding(config.vocab_size, config.d_model) + + encoder_config = copy.deepcopy(config) + encoder_config.use_cache = False + encoder_config.is_encoder_decoder = False + self.encoder = T5Stack(encoder_config, self.shared) + # self.encoder = CustomT5Stack(encoder_config, self.shared) + + # import pdb; pdb.set_trace() + original_embedding = self.encoder.embed_tokens + in_dim, out_dim = tuple(original_embedding.weight.shape) + self.new_embedding = nn.Linear(in_dim, out_dim, bias=False).to('cuda:0') #TODO: pass the correct weights!!! And careful! the embedding layer and the linear layer are maybe mutually "transposed" + print("Initialized new_embedding layer - without weights yet!") + # self.new_embedding.weight = nn.Parameter(original_embedding.weight.T) + + # self.weight = original_embedding.weight + # self.weight = nn.Parameter(self.new_embedding.weight.T) + # self.encoder.forward = new_forward.__get__(self.encoder, self.encoder.__class__) + + self.dropout = nn.Dropout(class_config.dropout_rate) + if class_config.adaptor_architecture == 'attention': + self.classifier = ENMAdaptedAttentionClassifier(config.hidden_size, class_config.num_labels, class_config.enm_embed_dim, class_config.enm_att_heads) #nn.Linear(config.hidden_size, class_config.num_labels) + elif class_config.adaptor_architecture == 'direct': + self.classifier = ENMAdaptedDirectClassifier(config.hidden_size, class_config.num_labels) + elif class_config.adaptor_architecture == 'conv': + self.classifier = ENMAdaptedConvClassifier(config.hidden_size, class_config.num_labels, class_config.kernel_size, class_config.enm_embed_dim, class_config.num_layers) + elif class_config.adaptor_architecture == 'no-adaptor': + self.classifier = ENMNoAdaptorClassifier(config.hidden_size, class_config.num_labels) + else: + raise ValueError('Only attention, direct, conv and no-adaptor architectures are supported for the adaptor.') + + + # Initialize weights and apply final processing + self.post_init() + + # Model parallel + self.model_parallel = False + self.device_map = None + + def parallelize(self, device_map=None): + self.device_map = ( + get_device_map(len(self.encoder.block), range(torch.cuda.device_count())) + if device_map is None + else device_map + ) + assert_device_map(self.device_map, len(self.encoder.block)) + self.encoder.parallelize(self.device_map) + self.classifier = self.classifier.to(self.encoder.first_device) + self.model_parallel = True + + def deparallelize(self): + self.encoder.deparallelize() + self.encoder = self.encoder.to("cpu") + self.model_parallel = False + self.device_map = None + torch.cuda.empty_cache() + + def get_input_embeddings(self): + return self.shared + + def set_input_embeddings(self, new_embeddings): + self.shared = new_embeddings + self.encoder.set_input_embeddings(new_embeddings) + + def get_encoder(self): + return self.encoder + + def _prune_heads(self, heads_to_prune): + """ + Prunes heads of the model. heads_to_prune: dict of {layer_num: list of heads to prune in this layer} See base + class PreTrainedModel + """ + for layer, heads in heads_to_prune.items(): + self.encoder.layer[layer].attention.prune_heads(heads) + + def forward( + self, + enm_vals = None, + input_ids=None, + attention_mask=None, + head_mask=None, + inputs_embeds=None, + labels=None, + output_attentions=None, + output_hidden_states=None, + return_dict=None, + ): + return_dict = return_dict if return_dict is not None else self.config.use_return_dict + if inputs_embeds is not None: + outputs = self.encoder(input_ids=None,attention_mask=attention_mask,inputs_embeds=inputs_embeds,head_mask=head_mask,output_attentions=output_attentions,output_hidden_states=output_hidden_states,return_dict=return_dict,) + elif input_ids is not None: + outputs = self.encoder(input_ids=input_ids,attention_mask=attention_mask,inputs_embeds=None,head_mask=head_mask,output_attentions=output_attentions,output_hidden_states=output_hidden_states,return_dict=return_dict,) + sequence_output = outputs[0] + # import pdb; pdb.set_trace() #TODO: CHECK EVERYTHING IS IN EVAL MODE and the dropout below is OFF + sequence_output = self.dropout(sequence_output) + #TODO: check the enm_vals are padded properly and check that the sequence limit (in the transformer) is indeed 512 + # logits = self.classifier(sequence_output, enm_vals) + + logits = self.classifier(sequence_output, enm_vals, attention_mask) + if not return_dict: + output = (logits,) + outputs[2:] + return ((loss,) + output) if loss is not None else output + + return TokenClassifierOutput( + #loss=loss, + logits=logits, + hidden_states=outputs.hidden_states, + attentions=outputs.attentions, + ) + +class ENMAdaptedTrainer(Trainer): + def compute_loss(self, model, inputs, return_outputs=False): + labels = inputs.get("labels") + #enm_vals = inputs.get("enm_vals") + + outputs = model(**inputs) + logits = outputs.get('logits') + mask = inputs.get('attention_mask') + loss_fct = MSELoss() + + active_loss = mask.view(-1) == 1 + active_logits = logits.view(-1) + active_labels = torch.where(active_loss, labels.view(-1), torch.tensor(-100).type_as(labels)) + valid_logits=active_logits[active_labels!=-100] + valid_labels=active_labels[active_labels!=-100] + + loss = loss_fct(valid_labels, valid_logits) + return (loss, outputs) if return_outputs else loss + + + +def PT5_classification_model(half_precision, class_config): + # Load PT5 and tokenizer + # possible to load the half preciion model (thanks to @pawel-rezo for pointing that out) + if not half_precision: + model = T5EncoderModel.from_pretrained("Rostlab/prot_t5_xl_uniref50") + tokenizer = T5Tokenizer.from_pretrained("Rostlab/prot_t5_xl_uniref50") + elif half_precision and torch.cuda.is_available() : + tokenizer = T5Tokenizer.from_pretrained('Rostlab/prot_t5_xl_half_uniref50-enc', do_lower_case=False) + model = T5EncoderModel.from_pretrained("Rostlab/prot_t5_xl_half_uniref50-enc", torch_dtype=torch.float16).to(torch.device('cuda')) + else: + raise ValueError('Half precision can be run on GPU only.') + + + + # Create new Classifier model with PT5 dimensions + class_model=T5EncoderForTokenClassification(model.config,class_config) + + # Set encoder and embedding weights to checkpoint weights + class_model.shared=model.shared + class_model.encoder=model.encoder + + # Delete the checkpoint model + model=class_model + del class_model + + # Print number of trainable parameters + model_parameters = filter(lambda p: p.requires_grad, model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ProtT5_Classfier\nTrainable Parameter: "+ str(params)) + + # Add model modification lora + config = LoRAConfig() + + # Add LoRA layers + model = modify_with_lora(model, config) + + # Freeze Embeddings and Encoder (except LoRA) + for (param_name, param) in model.shared.named_parameters(): + param.requires_grad = False + for (param_name, param) in model.encoder.named_parameters(): + param.requires_grad = False + + for (param_name, param) in model.named_parameters(): + if re.fullmatch(config.trainable_param_names, param_name): + param.requires_grad = True + + # Print trainable Parameter + model_parameters = filter(lambda p: p.requires_grad, model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ProtT5_LoRA_Classfier\nTrainable Parameter: "+ str(params) + "\n") + + return model, tokenizer + + +@dataclass +class DataCollatorForTokenRegression(DataCollatorMixin): + """ + Data collator that will dynamically pad the inputs received, as well as the labels. + Args: + tokenizer ([`PreTrainedTokenizer`] or [`PreTrainedTokenizerFast`]): + The tokenizer used for encoding the data. + padding (`bool`, `str` or [`~utils.PaddingStrategy`], *optional*, defaults to `True`): + Select a strategy to pad the returned sequences (according to the model's padding side and padding index) + among: + - `True` or `'longest'` (default): Pad to the longest sequence in the batch (or no padding if only a single + sequence is provided). + - `'max_length'`: Pad to a maximum length specified with the argument `max_length` or to the maximum + acceptable input length for the model if that argument is not provided. + - `False` or `'do_not_pad'`: No padding (i.e., can output a batch with sequences of different lengths). + max_length (`int`, *optional*): + Maximum length of the returned list and optionally padding length (see above). + pad_to_multiple_of (`int`, *optional*): + If set will pad the sequence to a multiple of the provided value. + This is especially useful to enable the use of Tensor Cores on NVIDIA hardware with compute capability >= + 7.5 (Volta). + label_pad_token_id (`int`, *optional*, defaults to -100): + The id to use when padding the labels (-100 will be automatically ignore by PyTorch loss functions). + return_tensors (`str`): + The type of Tensor to return. Allowable values are "np", "pt" and "tf". + """ + + tokenizer: PreTrainedTokenizerBase + padding: Union[bool, str, PaddingStrategy] = True + max_length: Optional[int] = None + pad_to_multiple_of: Optional[int] = None + label_pad_token_id: int = -100 + return_tensors: str = "pt" + + def torch_call(self, features): + label_name = "label" if "label" in features[0].keys() else "labels" + labels = [feature[label_name] for feature in features] if label_name in features[0].keys() else None + + no_labels_features = [{k: v for k, v in feature.items() if k != label_name and k!= 'enm_vals'} for feature in features] + + batch = self.tokenizer.pad( + no_labels_features, + padding=self.padding, + max_length=self.max_length, + pad_to_multiple_of=self.pad_to_multiple_of, + return_tensors="pt", + ) + + batch['enm_vals'] = torch.nn.utils.rnn.pad_sequence([torch.tensor(feature['enm_vals'], dtype=torch.float) for feature in features], batch_first=True, padding_value=0.0) +#batch = self.tokenizer.pad(no_labels_features,padding=self.padding,max_length=self.max_length,pad_to_multiple_of=self.pad_to_multiple_of,return_tensors="pt") + if labels is None: + return batch + + sequence_length = batch["input_ids"].shape[1] + padding_side = self.tokenizer.padding_side + + def to_list(tensor_or_iterable): + if isinstance(tensor_or_iterable, torch.Tensor): + return tensor_or_iterable.tolist() + return list(tensor_or_iterable) + + if padding_side == "right": + batch[label_name] = [ + to_list(label) + [self.label_pad_token_id] * (sequence_length - len(label)) for label in labels + + ] + else: + batch[label_name] = [ + [self.label_pad_token_id] * (sequence_length - len(label)) + to_list(label) for label in labels + ] + + batch[label_name] = torch.tensor(batch[label_name], dtype=torch.float) + return batch + +def _torch_collate_batch(examples, tokenizer, pad_to_multiple_of: Optional[int] = None): + """Collate `examples` into a batch, using the information in `tokenizer` for padding if necessary.""" + # Tensorize if necessary. + if isinstance(examples[0], (list, tuple, np.ndarray)): + examples = [torch.tensor(e, dtype=torch.long) for e in examples] + + length_of_first = examples[0].size(0) + + # Check if padding is necessary. + + are_tensors_same_length = all(x.size(0) == length_of_first for x in examples) + if are_tensors_same_length and (pad_to_multiple_of is None or length_of_first % pad_to_multiple_of == 0): + return torch.stack(examples, dim=0) + + # If yes, check if we have a `pad_token`. + if tokenizer._pad_token is None: + raise ValueError( + "You are attempting to pad samples but the tokenizer you are using" + f" ({tokenizer.__class__.__name__}) does not have a pad token." + ) + + # Creating the full tensor and filling it with our data. + max_length = max(x.size(0) for x in examples) + if pad_to_multiple_of is not None and (max_length % pad_to_multiple_of != 0): + max_length = ((max_length // pad_to_multiple_of) + 1) * pad_to_multiple_of + result = examples[0].new_full([len(examples), max_length], tokenizer.pad_token_id) + for i, example in enumerate(examples): + if tokenizer.padding_side == "right": + result[i, : example.shape[0]] = example + else: + result[i, -example.shape[0] :] = example + return result + +def tolist(x): + if isinstance(x, list): + return x + elif hasattr(x, "numpy"): # Checks for TF tensors without needing the import + x = x.numpy() + return x.tolist() + +#### END OF UTILS + +def do_topology_split(df, split_path): + import json + with open(split_path, 'r') as f: + splits = json.load(f) + + #split the dataframe according to the splits + train_df = df[df['name'].isin(splits['train'])] + valid_df = df[df['name'].isin(splits['validation'])] + test_df = df[df['name'].isin(splits['test'])] + return train_df, valid_df, test_df + + +class ANMAwareFlexibilityProtTrans(nn.Module): + def __init__(self, gumbel_temperature, **kwargs): + super(ANMAwareFlexibilityProtTrans, self).__init__() + + model, tokenizer = self.load_finetuned_model(**kwargs) + self.model = model + self.tokenizer = tokenizer + self.device = torch.device('cuda') + self.model.to(self.device) + self.model.eval() + self.gumbel_temperature = gumbel_temperature + self.logit_transform = nn.functional.gumbel_softmax #Use the Straight Through Gumbel SoftMax - in forward process it does argmax, + + # in the backward process it approximates the gradient of argmax by the gradient of the Gumbel Softmax + # https://pytorch.org/docs/stable/generated/torch.nn.functional.gumbel_softmax.html set hard=True to do the Straight-Through trick + + self.conversion_tensor = self.construct_pmpnn_t5_conversion_tensor() + + + def construct_pmpnn_t5_conversion_tensor(self): + """ + Creates tensor which takes the onehot encodings in the proteinmpnn vocabulary and maps them to ProtTrans vocabulary. + """ + _one_hots = [] + for idx in [[0,1], 2, [3, 29, 30, 31, 32], 5, 4, 6, 7, 8, 10, 9, 13, 11, 12, 14, 15, 18, 16, 17, 19, 20, 21, 22, 23, 24, 25, 28, 26, 27]: + if isinstance(idx, int): + _oh = F.one_hot(torch.tensor([idx]), 33) + else: + _sohs = [] + for subidx in idx: + _soh = F.one_hot(torch.tensor([subidx]), 33) + _sohs.append(_soh) + _oh = torch.sum(torch.stack(_sohs), dim=0) + _one_hots.append(_oh) + #_one_hots = [F.one_hot(torch.tensor([idx]), 33)[0] if isinstance(idx, int) else torch.sum(torch.stack([F.one_hot(torch.tensor([subidx]), 33)[0] for subidx in idx]), dim=0) for idx in [[0,1], 2, [3, 29, 30, 31, 32], 5, 4, 6, 7, 8, 10, 9, 13, 11, 12, 14, 15, 18, 16, 17, 19, 20, 21, 22, 23, 24, 25, 28, 26, 27]] + _one_hots.extend([torch.zeros((1,33)) for _ in range(100)]) + return torch.cat(_one_hots, dim=0).to(torch.device('cuda')).float() + + def load_finetuned_model(self, checkpoint_path, half_precision, **kwargs):#num_labels, add_pearson_loss, add_sse_loss, adaptor_architecture, enm_embed_dim, enm_att_heads, num_layers, kernel_size): + class_config=ClassConfig(**kwargs) #um_labels=num_labels, add_pearson_loss=add_pearson_loss, add_sse_loss=add_sse_loss, adaptor_architecture = adaptor_architecture, enm_embed_dim = enm_embed_dim, enm_att_heads = enm_att_heads, num_layers = num_layers, kernel_size = kernel_size) + model, tokenizer = PT5_classification_model(half_precision=half_precision, class_config=class_config) #.from_pretrained(args.model_path) + + # model.load_state_dict(torch.load(args.model_path)) + # try: + # with safe_open(f"{checkpoint_path}/model.safetensors", framework="pt", device="cuda:0") as f: + # state_dict = {} + # for key in f.keys(): + # state_dict[key] = f.get_tensor(key) + # model.load_state_dict(state_dict, strict=False) + # except: + # state_dict = torch.load(f"{checkpoint_path}/pytorch_model.bin", map_location='cuda:0') + # model.load_state_dict(state_dict, strict=False) + state_dict = torch.load(checkpoint_path, map_location='cuda:0') + model.load_state_dict(state_dict, strict=False) + model.eval() + + original_embedding = model.encoder.embed_tokens + model.new_embedding.weight = nn.Parameter(original_embedding.weight.T) + print('Set the weights for the new embedding layer!') + return model, tokenizer + + def translate_to_model_vocab(self, batch_one_hot, trail_idcs): + # Pad the batch_one_hot tensor with zeros along the last dimension + batch_one_hot = F.pad(batch_one_hot, (0, 1, 0, 0, 0, 0), 'constant', 0) + + #TODO: VERIFY THAT THE GRADIENTS ARE OK AFTER THE MASKED_SCATTER OPERATION + # Create a mask for the '2' token + mask = torch.zeros_like(batch_one_hot, dtype=torch.bool) + for i, trail_idx in enumerate(trail_idcs): + if trail_idx < batch_one_hot.size(2): # Ensure index is within bounds + mask[i, :, trail_idx] = True + + # Create a tensor with '2' in the one-hot encoding + token_2 = torch.zeros_like(batch_one_hot) + token_2[:, 2, :] = 1 # Assuming '2' corresponds to index 2 in the one-hot encoding + + # Use masked_scatter_ to modify the tensor in-place while preserving gradients + batch_one_hot.masked_scatter_(mask, token_2[mask]) + + T5_translation = torch.einsum('ej,ijk->iek', self.conversion_tensor, batch_one_hot) + T5_translation = T5_translation.permute(0,2,1) + return T5_translation + + def forward(self, pmpnn_logits, anm_input, trail_idcs, attention_mask, sampled_pmpnn_sequence = None, alphabet = None): #batch example 32x33x395 (batch_size x ProteinMPNN vocab size x seq length) + + anm_input = F.pad(anm_input, (0, 1, 0, 0), 'constant', 0) + attention_mask = F.pad(attention_mask, (0, 1, 0, 0), 'constant', 1) + + if sampled_pmpnn_sequence is None: + if alphabet is None: + batch_one_hot = self.logit_transform(pmpnn_logits, tau=self.gumbel_temperature, hard=True, dim=1) + batch_token_ids = self.translate_to_model_vocab(batch_one_hot, trail_idcs) + inputs = batch_token_ids #.to(torch.int) + # elif alphabet == 'aa': + # batch_one_hot = ... #TODO one hot encode the pmpnn tokens + # batch_token_ids = self.translate_to_model_vocab(batch_one_hot, trail_idcs) + # input_ids = ... #TODO: argmax to get the tokens from the one hot encodings + # outputs = self.model(input_ids = input_ids, enm_vals=anm_input, attention_mask = attention_mask) #TODO?: pass the mask as well (take it from the batch, pad it for the end of sequence, convert to Tensor) + # predicted_flex = outputs.logits + # return {'predicted_flex': predicted_flex, 'enm_vals': anm_input, 'input_ids': input_ids} + + # elif alphabet is None: + # raise ValueError('need to specify what alphabet is used to encode sampled_pmpnn_sequence!') + # elif alphabet is 'pmpnn': + # # Convert sampled_pmpnn_sequence to one-hot encoding + # batch_one_hot = F.one_hot(sampled_pmpnn_sequence, num_classes=33).float().permute(0,2,1) + # batch_token_ids = self.translate_to_model_vocab(batch_one_hot, trail_idcs) + # inputs = batch_token_ids + # elif alphabet is 'pt5': + # inputs = F.one_hot(sampled_pmpnn_sequence, num_classes=128).float() #.permute(0,2,1) + # elif alphabet is 'aa': + # ... #TODO apply tokenizer + # #tokens = self.tokenizer(" ".join(sampled_pmpnn_sequence)) + # tokens = self.tokenizer(" ".join(sampled_pmpnn_sequence)) + # input_ids = torch.tensor(tokens['input_ids']).cuda().unsqueeze(0) + + # outputs = self.model(input_ids = input_ids, enm_vals=anm_input, attention_mask = attention_mask) #TODO?: pass the mask as well (take it from the batch, pad it for the end of sequence, convert to Tensor) + # predicted_flex = outputs.logits + # return {'predicted_flex': predicted_flex, 'enm_vals': anm_input, 'input_ids': input_ids} + + inputs_embeds = self.model.new_embedding(inputs) #TODO pass through embedding + outputs = self.model(enm_vals=anm_input, inputs_embeds = inputs_embeds, attention_mask = attention_mask) #TODO?: pass the mask as well (take it from the batch, pad it for the end of sequence, convert to Tensor) + #TODO: above it throws RuntimeError: Expected tensor for argument #1 'indices' to have one of the following scalar types: + # Long, Int; but got torch.cuda.FloatTensor instead (while checking arguments for embedding) + + predicted_flex = outputs.logits + return {'predicted_flex': predicted_flex, 'enm_vals': anm_input, 'input_ids': inputs} \ No newline at end of file diff --git a/Flexpert-Design/src/models/configs/ANMAwareFlexibilityProtTrans.yaml b/Flexpert-Design/src/models/configs/ANMAwareFlexibilityProtTrans.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9516c0ffd6963f1fc36c9130e8e787c8edcdf1f5 --- /dev/null +++ b/Flexpert-Design/src/models/configs/ANMAwareFlexibilityProtTrans.yaml @@ -0,0 +1,12 @@ +checkpoint_path: /scratch/project/fta-24-31/koubapet/ProteinInvBench/flex_model_weights/conv_adaptor #finetuned_model_BS8.pth +data_jsonl_name: /NEWcath_ANM_gt_flex_annotated.jsonl #/debug_cath_ANM_gt_flex_annotated.jsonl #/cath_ANM_gt_flex_annotated.jsonl +half_precision: False #mixed_precision +gumbel_temperature: 0.2 +num_labels: 1 +add_pearson_loss: False +add_sse_loss: False +adaptor_architecture: 'conv' +enm_embed_dim: 128 +enm_att_heads: 8 +num_layers: 3 +kernel_size: 5 \ No newline at end of file diff --git a/Flexpert-Design/src/models/configs/AlphaDesign.yaml b/Flexpert-Design/src/models/configs/AlphaDesign.yaml new file mode 100644 index 0000000000000000000000000000000000000000..da5e5a4abf5518339bd9b013d072d526cd7d5395 --- /dev/null +++ b/Flexpert-Design/src/models/configs/AlphaDesign.yaml @@ -0,0 +1,14 @@ +augment_eps: 0.0 +num_encoder_layers: 10 +hidden_dim: 128 +node_features: 128 +edge_features: 128 +k_neighbors: 30 +dropout: 0.1 +att_output_mlp: true +node_output_mlp: true +use_SGT: true +use_new_feat: true +use_NAT: true +AT_layer_num: 3 +autoregressive: 0 diff --git a/Flexpert-Design/src/models/configs/E3PiFold.yaml b/Flexpert-Design/src/models/configs/E3PiFold.yaml new file mode 100644 index 0000000000000000000000000000000000000000..145768cc460ab3c25c5e40d757dfc1bc41f3bcff --- /dev/null +++ b/Flexpert-Design/src/models/configs/E3PiFold.yaml @@ -0,0 +1,12 @@ +use_dist: 1 +use_product: 1 +encoder_layers: 12 +kernel_num: 16 +embed_dim: 768 +ffn_embed_dim: 3072 +attention_heads: 8 +emb_dropout: 0.1 +dropout: 0.1 +attention_dropout: 0.1 +activation_dropout: 0.0 +max_seq_len: 256 \ No newline at end of file diff --git a/Flexpert-Design/src/models/configs/ESMIF.yaml b/Flexpert-Design/src/models/configs/ESMIF.yaml new file mode 100644 index 0000000000000000000000000000000000000000..5cd68bedaad93cb4e194d5d5f73e70739384c87f --- /dev/null +++ b/Flexpert-Design/src/models/configs/ESMIF.yaml @@ -0,0 +1,18 @@ +augment_eps: 0.0 +num_encoder_layers: 4 +hidden_dim: 128 +top_k_neighbors: 30 +encoder_embed_dim: 512 +decoder_embed_dim: 512 +dropout: 0.1 +node_hidden_dim_scalar: 1024 +node_hidden_dim_vector: 256 +edge_hidden_dim_scalar: 32 +edge_hidden_dim_vector: 1 +encoder_layers: 8 +encoder_attention_heads: 8 +attention_dropout: 0.1 +encoder_ffn_embed_dim: 2048 +decoder_layers: 8 +decoder_attention_heads: 8 +decoder_ffn_embed_dim: 2048 diff --git a/Flexpert-Design/src/models/configs/FlexibilityProtTrans.yaml b/Flexpert-Design/src/models/configs/FlexibilityProtTrans.yaml new file mode 100644 index 0000000000000000000000000000000000000000..25f8a92049a49abff05b2685762719884a7b4777 --- /dev/null +++ b/Flexpert-Design/src/models/configs/FlexibilityProtTrans.yaml @@ -0,0 +1,6 @@ +checkpoint_path: /scratch/project_465000660/ProteinInvBench/flex_model_weights/finetuned_model.pth #finetuned_model_BS8.pth +data_jsonl_name: Calpha_bfactor_chainset_averaged_normalized.jsonl +num_labels_bfact: 1 +half_precision: False #mixed_precision +gumbel_temperature: 0.2 +flex_loss_weight: 1.0 diff --git a/Flexpert-Design/src/models/configs/GCA.yaml b/Flexpert-Design/src/models/configs/GCA.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1264e2fd1471ba829e93f6ba69d96794148deced --- /dev/null +++ b/Flexpert-Design/src/models/configs/GCA.yaml @@ -0,0 +1,11 @@ +augment_eps: 0.0 +num_encoder_layers: 3 +hidden_dim: 128 +hidden: 128 +k_neighbors: 30 +vocab_size: 33 +features: full +num_decoder_layers: 3 +dropout: 0.1 +is_attention: 1 +smoothing: 0.1 diff --git a/Flexpert-Design/src/models/configs/GVP.yaml b/Flexpert-Design/src/models/configs/GVP.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9561e83ced58618f69483083c250600631f0a919 --- /dev/null +++ b/Flexpert-Design/src/models/configs/GVP.yaml @@ -0,0 +1,4 @@ +augment_eps: 0.0 +num_encoder_layers: 10 +hidden_dim: 128 +max_nodes: 2000 \ No newline at end of file diff --git a/Flexpert-Design/src/models/configs/GraphTrans.yaml b/Flexpert-Design/src/models/configs/GraphTrans.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7b0af8e98ad8b4cbec4e87711b3adc64514ec9dd --- /dev/null +++ b/Flexpert-Design/src/models/configs/GraphTrans.yaml @@ -0,0 +1,11 @@ +augment_eps: 0.0 +num_encoder_layers: 10 +hidden_dim: 128 +hidden: 128 +k_neighbors: 30 +vocab_size: 33 +features: full +model_type: structure +shuffle: 0.0 +dropout: 0.1 +smoothing: 0.1 diff --git a/Flexpert-Design/src/models/configs/KWDesign.yaml b/Flexpert-Design/src/models/configs/KWDesign.yaml new file mode 100644 index 0000000000000000000000000000000000000000..788994042b8ee1b5dcf9ffebbcd7bc36a5a874fb --- /dev/null +++ b/Flexpert-Design/src/models/configs/KWDesign.yaml @@ -0,0 +1,124 @@ +augment_eps: 0.0 +num_encoder_layers: 10 +hidden_dim: 128 +node_features: 128 +edge_features: 128 +k_neighbors: 30 +dropout: 0.1 +att_output_mlp: true +node_output_mlp: true +Ca_Ca: 1 +Ca_C: 1 +Ca_N: 1 +Ca_O: 1 +C_C: 1 +C_N: 1 +C_O: 1 +N_N: 1 +N_O: 1 +O_O: 1 +updating_edges: 4 +node_dist: 1 +node_angle: 1 +node_direct: 1 +edge_dist: 1 +edge_angle: 1 +edge_direct: 1 +virtual_num: 3 +fix_gnn: 1 +fix_esm: 1 +recycle_n: 6 +msa_n: 2 +temporature: 0.05 +tunning_layers_n: 4 +tunning_layers_dim: 256 +tunning_dropout: 0.1 +input_design_dim: 128 +input_esm_dim: 1280 +use_LM: 1 +use_gearnet: 0 +use_esmif: 1 +load_memory: 1 +use_confembed: 1 +dihedral_type: 0 +NAT: 3 +node_net: AttMLP +edge_net: EdgeMLP +node_context: 1 +edge_context: +- 0 +autoregressive: 0 +AT_layer_num: 3 +use_gvp_feat: 0 +num_decoder_layers1: 3 +kernel_size1: 3 +act_type: silu +num_decoder_layers2: 3 +kernel_size2: 3 +glu: 0 +load_epoch: 4 +# method: 'KWDesign' +# hidden_dim: 128 +# node_features: 128 +# edge_features: 128 +# k_neighbors: 30 +# # k_neighbors: 48 +# dropout: 0.1 +# # att_output_mlp: True +# # node_output_mlp: True +# num_encoder_layers: 10 +# Ca_Ca: 1 +# Ca_C: 1 +# Ca_N: 1 +# Ca_O: 1 +# C_C: 1 +# C_N: 1 +# C_O: 1 +# N_N: 1 +# N_O: 1 +# O_O: 1 +# updating_edges: 4 +# node_dist: 1 +# node_angle: 1 +# node_direct: 1 +# edge_dist: 1 +# edge_angle: 1 +# edge_direct: 1 +# virtual_num: 3 +# fix_gnn: 1 +# fix_esm: 1 +# recycle_n: 3 +# msa_n: 2 +# temporature: 0.05 +# tunning_layers_n: 4 +# tunning_layers_dim: 256 +# tunning_dropout: 0.1 +# input_design_dim: 128 +# input_esm_dim: 1280 +# use_LM: 1 +# use_gearnet: 0 +# use_esmif: 1 +# load_memory: 1 +# use_confembed: 1 +# att_output_mlp: True +# node_output_mlp: True +# dihedral_type: 0 +# NAT: 3 +# node_net: 'AttMLP' +# edge_net: 'EdgeMLP' +# node_context: 1 +# edge_context: 0, +# autoregressive: 0 +# AT_layer_num: 3 +# use_gvp_feat: 0 +# num_decoder_layers1: 3 +# kernel_size1: 3 +# act_type: 'silu' +# num_decoder_layers2: 3 +# kernel_size2: 3 +# glu: 0 +# load_epoch: 4 +# epoch: 5 +# batch_size: 32 +# lr: 0.001 +# patience: 100 \ No newline at end of file diff --git a/Flexpert-Design/src/models/configs/PiFold.yaml b/Flexpert-Design/src/models/configs/PiFold.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6dfeceec1b0e70bb1f02930cc81111ec02763da6 --- /dev/null +++ b/Flexpert-Design/src/models/configs/PiFold.yaml @@ -0,0 +1,42 @@ +augment_eps: 0.0 +num_encoder_layers: 10 +hidden_dim: 128 +node_features: 128 +edge_features: 128 +k_neighbors: 30 +dropout: 0.1 +Ca_Ca: 1 +Ca_C: 1 +Ca_N: 1 +Ca_O: 1 +C_C: 1 +C_N: 1 +C_O: 1 +N_N: 1 +N_O: 1 +O_O: 1 +updating_edges: 4 +node_dist: 1 +node_angle: 1 +node_direct: 1 +edge_dist: 1 +edge_angle: 1 +edge_direct: 1 +virtual_num: 3 +att_output_mlp: true +node_output_mlp: true +dihedral_type: 0 +NAT: 3 +node_net: AttMLP +edge_net: EdgeMLP +node_context: 1 +edge_context: 0 +autoregressive: 0 +AT_layer_num: 3 +use_gvp_feat: 0 +num_decoder_layers1: 3 +kernel_size1: 3 +act_type: silu +num_decoder_layers2: 3 +kernel_size2: 3 +glu: 0 diff --git a/Flexpert-Design/src/models/configs/ProteinMPNN.yaml b/Flexpert-Design/src/models/configs/ProteinMPNN.yaml new file mode 100644 index 0000000000000000000000000000000000000000..749ff79f8de2d896607ef25f0a787d7e13eecd7d --- /dev/null +++ b/Flexpert-Design/src/models/configs/ProteinMPNN.yaml @@ -0,0 +1,13 @@ +augment_eps: 0.0 +num_encoder_layers: 3 +hidden_dim: 128 +hidden: 128 +k_neighbors: 30 +num_letters: 33 +num_decoder_layers: 3 +vocab: 33 +dropout: 0.1 +smoothing: 0.1 +proteinmpnn_type: 0 +init_flex_features: 1 +starting_checkpoint_path: '/scratch/project/fta-24-31/koubapet/ProteinInvBench/vanilla_mpnn_weights/best-epoch=99-recovery=0.485.ckpt' diff --git a/Flexpert-Design/src/models/configs/StructGNN.yaml b/Flexpert-Design/src/models/configs/StructGNN.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7b0af8e98ad8b4cbec4e87711b3adc64514ec9dd --- /dev/null +++ b/Flexpert-Design/src/models/configs/StructGNN.yaml @@ -0,0 +1,11 @@ +augment_eps: 0.0 +num_encoder_layers: 10 +hidden_dim: 128 +hidden: 128 +k_neighbors: 30 +vocab_size: 33 +features: full +model_type: structure +shuffle: 0.0 +dropout: 0.1 +smoothing: 0.1 diff --git a/Flexpert-Design/src/models/esmif_model.py b/Flexpert-Design/src/models/esmif_model.py new file mode 100644 index 0000000000000000000000000000000000000000..21329e22f1936ea94b2bd3a637fbccadf445b4b9 --- /dev/null +++ b/Flexpert-Design/src/models/esmif_model.py @@ -0,0 +1,122 @@ +# Copyright (c) Facebook, Inc. and its affiliates. +# +# This source code is licensed under the MIT license found in the +# LICENSE file in the root directory of this source tree. + +import time +import torch +from torch import nn +import torch.nn.functional as F + +from src.modules.esmif_module import GVPTransformerEncoder, TransformerDecoder, CoordBatchConverter, Alphabet +from transformers import AutoTokenizer + +class GVPTransformerModel(nn.Module): + """ + GVP-Transformer inverse folding model. + + Architecture: Geometric GVP-GNN as initial layers, followed by + sequence-to-sequence Transformer encoder and decoder. + """ + + def __init__(self, args): + super().__init__() + # alphabet = Alphabet.from_architecture() + alphabet = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + encoder_embed_tokens = self.build_embedding( + args, alphabet, args.encoder_embed_dim, + ) + decoder_embed_tokens = self.build_embedding( + args, alphabet, args.decoder_embed_dim, + ) + encoder = self.build_encoder(args, alphabet, encoder_embed_tokens) + decoder = self.build_decoder(args, alphabet, decoder_embed_tokens) + self.args = args + self.encoder = encoder + self.decoder = decoder + + @classmethod + def build_encoder(cls, args, src_dict, embed_tokens): + encoder = GVPTransformerEncoder(args, src_dict, embed_tokens) + return encoder + + @classmethod + def build_decoder(cls, args, tgt_dict, embed_tokens): + decoder = TransformerDecoder( + args, + tgt_dict, + embed_tokens, + ) + return decoder + + @classmethod + def build_embedding(cls, args, dictionary, embed_dim): + num_embeddings = len(dictionary) + padding_idx = dictionary.pad_token_id + emb = nn.Embedding(num_embeddings, embed_dim, padding_idx) + nn.init.normal_(emb.weight, mean=0, std=embed_dim ** -0.5) + nn.init.constant_(emb.weight[padding_idx], 0) + return emb + + def forward( + self, + coords, + padding_mask, + confidence, + prev_output_tokens, + return_all_hiddens: bool = False, + features_only: bool = False, + ): + encoder_out = self.encoder(coords, padding_mask, confidence, + return_all_hiddens=return_all_hiddens) + + logits, extra = self.decoder( + prev_output_tokens, + encoder_out=encoder_out, + features_only=features_only, + return_all_hiddens=return_all_hiddens, + ) + + return logits, extra + + def sample(self, batch_coords, padding_mask, partial_seq=None, temperature=1.0, confidence=None): + """ + Samples sequences based on multinomial sampling (no beam search). + + Args: + coords: L x 3 x 3 list representing one backbone + partial_seq: Optional, partial sequence with mask tokens if part of + the sequence is known + temperature: sampling temperature, use low temperature for higher + sequence recovery and high temperature for higher diversity + confidence: optional length L list of confidence scores for coordinates + """ + L = batch_coords.shape[1] + + sampled_tokens = torch.zeros((1, 1+L), device=batch_coords.device).long() + + # Save incremental states for faster sampling + incremental_state = dict() + + # Run encoder only once + t1 = time.time() + encoder_out = self.encoder(batch_coords, padding_mask, confidence) + t2 = time.time() + + # Decode one token at a time + for i in range(1, L+1): + logits, _ = self.decoder( + sampled_tokens[:, :i], + encoder_out, + incremental_state=incremental_state, + ) + logits = logits[0].transpose(0, 1) + logits /= temperature + probs = F.softmax(logits, dim=-1) + # sampled_tokens[:, i] = torch.multinomial(probs, 1).squeeze(-1) + sampled_tokens[:, i] = probs.argmax(dim=-1) + sampled_seq = sampled_tokens[0, 1:] + t3 = time.time() + + # Convert back to string via lookup + return sampled_seq \ No newline at end of file diff --git a/Flexpert-Design/src/models/gca_model.py b/Flexpert-Design/src/models/gca_model.py new file mode 100644 index 0000000000000000000000000000000000000000..3b3dd10a4787f248adee906eda82e1de4804c992 --- /dev/null +++ b/Flexpert-Design/src/models/gca_model.py @@ -0,0 +1,280 @@ +import time +import torch +import torch.nn as nn +import torch.nn.functional as F +from torch_scatter import scatter_sum, scatter_min + +from src.tools.design_utils import gather_nodes, _dihedrals, _rbf, _orientations_coarse_gl +from src.modules.graphtrans_module import * +from src.modules.gca_module import Local_Module, Global_Module + + +class GCA_Model(nn.Module): + def __init__(self, args, **kwargs): + """ Graph labeling network """ + super(GCA_Model, self).__init__() + self.node_features = args.hidden + self.edge_features = args.hidden + self.hidden = args.hidden + self.top_k = args.k_neighbors + self.num_rbf = 16 + self.num_positional_embeddings = 16 + + vocab = args.vocab_size + num_encoder_layers = args.num_encoder_layers + num_decoder_layers = args.num_decoder_layers + is_attention = args.is_attention + dropout = args.dropout + + # node_in, edge_in = 6, 39 - 16 + node_in, edge_in = 12, 39 - 16 + self.embeddings = PositionalEncodings(self.num_positional_embeddings) + self.node_embedding = nn.Linear(node_in, self.node_features, bias=True) + self.edge_embedding = nn.Linear(edge_in, self.edge_features, bias=True) + self.norm_nodes = Normalize(self.node_features) + self.norm_edges = Normalize(self.edge_features) + + self.W_v = nn.Linear(self.node_features, self.hidden, bias=True) + self.W_e = nn.Linear(self.edge_features, self.hidden, bias=True) + self.W_f = nn.Linear(self.edge_features, self.hidden, bias=True) + self.W_s = nn.Embedding(vocab, self.hidden) + + self.encoder_layers = nn.ModuleList([]) + for _ in range(num_encoder_layers): + self.encoder_layers.append(nn.ModuleList([ + Local_Module(self.hidden, self.hidden*2, is_attention=is_attention, dropout=dropout), + Global_Module(self.hidden, self.hidden*2, dropout=dropout) + ])) + + self.decoder_layers = nn.ModuleList([]) + for _ in range(num_decoder_layers): + self.decoder_layers.append( + Local_Module(self.hidden, self.hidden*3, is_attention=is_attention, dropout=dropout) + ) + + self.W_out = nn.Linear(self.hidden, vocab, bias=True) + self._init_params() + + self.encode_t = 0 + self.decode_t = 0 + + def _init_params(self): + for p in self.parameters(): + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + def _autoregressive_mask(self, E_idx): + N_nodes = E_idx.size(1) + ii = torch.arange(N_nodes) + ii = ii.view((1, -1, 1)).to(E_idx.device) + mask = E_idx - ii < 0 + mask = mask.type(torch.float32) + return mask + + def _get_encoder_mask(self, idx, mask): + mask_attend = gather_nodes(mask.unsqueeze(-1), idx).squeeze(-1) + mask_attend = mask.unsqueeze(-1) * mask_attend + return mask_attend + + def _get_decoder_mask(self, idx, mask): + mask_attend = self._autoregressive_mask(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) + return mask_bw, mask_fw + + def _full_dist(self, X, mask, top_k=30, 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 + D_neighbors, E_idx = torch.topk(D_adjust, min(top_k, D_adjust.shape[-1]), dim=-1, largest=False) + return D_neighbors, E_idx + + def _encoder_network(self, h_V, h_P, h_F, P_idx, F_idx, mask): + ''' + h_V: [batch, num_nodes, 128] + h_P: [batch, num_nodes, K, 128] + h_F: [batch, num_nodes, num_nodes, 128] + P_idx: [batch, num_nodes, K] + F_idx: [batch, num_nodes, num_nodes] + mask: [batch, num_nodes] + ''' + P_idx_mask_attend = self._get_encoder_mask(P_idx, mask) # part + F_idx_mask_attend = self._get_encoder_mask(F_idx, mask) # full + for (local_layer, global_layer) in self.encoder_layers: + # local_layer + h_EV_local = cat_neighbors_nodes(h_V, h_P, P_idx) # [4, 312, 30, 256] + h_V = local_layer(h_V, h_EV_local, mask_V=mask, mask_attend=P_idx_mask_attend) + # global layer + h_EV_global = cat_neighbors_nodes(h_V, h_F, F_idx) + h_V = h_V + global_layer(h_V, h_EV_global, mask_V=mask, mask_attend=F_idx_mask_attend) + return h_V + + def _get_sv_encoder(self, S, h_V, h_P, P_idx): + h_S = self.W_s(S) + h_PS = cat_neighbors_nodes(h_S, h_P, P_idx) + h_PS_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_P, P_idx) + h_PSV_encoder = cat_neighbors_nodes(h_V, h_PS_encoder, P_idx) + return h_PS, h_PSV_encoder + + def _get_features(self, batch): + S, X, mask, chain_mask = batch['S'], batch['X'], batch['mask'], batch['chain_mask'] + X_ca = X[:,:,1,:] + D_neighbors, F_idx = self._full_dist(X_ca, mask, 500) + P_idx = F_idx[:, :, :self.top_k].clone() + + _V = _dihedrals(X) # node feature + _V = self.norm_nodes(self.node_embedding(_V)) + _F = torch.cat((_rbf(D_neighbors, self.num_rbf), _orientations_coarse_gl(X, F_idx)), -1) + _F = self.norm_edges(self.edge_embedding(_F)) + _P = _F[..., :self.top_k, :] + + h_V = self.W_v(_V) + h_P, h_F = self.W_e(_P), self.W_f(_F) + + batch.update({'S':S, + 'h_V': h_V, + 'h_P': h_P, + 'h_F': h_F, + 'P_idx': P_idx, + 'F_idx': F_idx, + 'mask': mask}) + + return batch + + def sparse_to_dense(self, S, h_V, h_P, edge_idx_P, h_F, edge_idx_F, batch_id): + device = h_V.device + num_nodes = scatter_sum(torch.ones_like(batch_id), batch_id) + batch = num_nodes.shape[0] + N = num_nodes.max() + + S_ = torch.zeros([batch, N], device=device).long() + row = batch_id + col = torch.cat([torch.arange(0,n) for n in num_nodes]).to(device) + S_[row, col] = S + S = S_ + + # node feature + dim_V = h_V.shape[-1] + h_V_ = torch.zeros([batch, N, dim_V], device=device) + row = batch_id + col = torch.cat([torch.arange(0,n) for n in num_nodes]).to(device) + h_V_[row, col] = h_V + h_V = h_V_ + + mask = torch.zeros([batch, N], device=device) + mask[row, col] = 1 + + # edge feature + K = 30 + dim_P = h_P.shape[-1] + h_P_ = torch.zeros([batch, N, K, dim_P], device=device) + row2 = batch_id[edge_idx_P[0]] + batch_shift, _ = scatter_min(edge_idx_P[0], batch_id[edge_idx_P[0]]) + local_dst_idx = edge_idx_P[0] - batch_shift[batch_id[edge_idx_P[0]]] + local_src_idx = edge_idx_P[1] - batch_shift[batch_id[edge_idx_P[1]]] + + nn_num = scatter_sum(torch.ones_like(edge_idx_P[0]), edge_idx_P[0]) + nn_idx = torch.cat([torch.arange(0,n) for n in nn_num]).to(device) + h_P_[row2, local_dst_idx, nn_idx] = h_P + h_P = h_P_ + + nn_num = scatter_sum(torch.ones_like(edge_idx_P[0]), edge_idx_P[0]) + nn_idx = torch.cat([torch.arange(0,n) for n in nn_num]).to(device) + + P_idx = torch.arange(0, K, device=device).reshape(1,1,K).repeat(batch, N, 1) + P_idx[row2, local_dst_idx, nn_idx] = local_src_idx + + + # edge feature + K = N + dim_F = h_F.shape[-1] + h_F_ = torch.zeros([batch, N, K, dim_F], device=device) + row2 = batch_id[edge_idx_F[0]] + batch_shift, _ = scatter_min(edge_idx_F[0], batch_id[edge_idx_F[0]]) + local_dst_idx = edge_idx_F[0] - batch_shift[batch_id[edge_idx_F[0]]] + local_src_idx = edge_idx_F[1] - batch_shift[batch_id[edge_idx_F[1]]] + + nn_num = scatter_sum(torch.ones_like(edge_idx_F[0]), edge_idx_F[0]) + nn_idx = torch.cat([torch.arange(0,n) for n in nn_num]).to(device) + h_F_[row2, local_dst_idx, nn_idx] = h_F + h_F = h_F_ + + nn_num = scatter_sum(torch.ones_like(edge_idx_F[0]), edge_idx_F[0]) + nn_idx = torch.cat([torch.arange(0,n) for n in nn_num]).to(device) + + F_idx = torch.arange(0, K, device=device).reshape(1,1,K).repeat(batch, N, 1) + F_idx[row2, local_dst_idx, nn_idx] = local_src_idx + + return S, h_V, h_P, h_F, P_idx,F_idx, mask + + def forward(self, batch): + h_V, h_P, h_F, P_idx, F_idx, S, mask = batch['h_V'], batch['h_P'], batch['h_F'], batch['P_idx'], batch['F_idx'], batch['S'], batch['mask'] + + t1 = time.time() + h_V = self._encoder_network(h_V, h_P, h_F, P_idx, F_idx, mask) + h_PS, h_PSV_encoder = self._get_sv_encoder(S, h_V, h_P, P_idx) + t2 = time.time() + + # Decoder + P_idx_mask_bw, P_idx_mask_fw = self._get_decoder_mask(P_idx, mask) + for local_layer in self.decoder_layers: + # local_layer + h_PSV_local = cat_neighbors_nodes(h_V, h_PS, P_idx) + h_PSV_local = P_idx_mask_bw * h_PSV_local + P_idx_mask_fw * h_PSV_encoder + h_V = local_layer(h_V, h_PSV_local, mask_V=mask) + logits = self.W_out(h_V) + log_probs = F.log_softmax(logits, dim=-1) + t3 = time.time() + + self.encode_t += t2-t1 + self.decode_t += t3-t2 + return {'log_probs':log_probs} + + def sample(self, h_V, h_P, h_F, P_idx, F_idx, mask=None, temperature=0.1, **kwargs): + t1 = time.time() + h_V = self._encoder_network(h_V, h_P, h_F, P_idx, F_idx, mask) + t2 = time.time() + + # Decoder + P_idx_mask_bw, P_idx_mask_fw = self._get_decoder_mask(P_idx, mask) + N_batch, N_nodes = h_V.size(0), h_V.size(1) + h_S = torch.zeros_like(h_V) + S = torch.zeros((N_batch, N_nodes), dtype=torch.int64, device=h_V.device) + h_V_stack = [h_V] + [torch.zeros_like(h_V) for _ in range(len(self.decoder_layers))] + all_probs = [] + for t in range(N_nodes): + # Hidden layers + P_idx_t = P_idx[:,t:t+1,:] + h_P_t = h_P[:,t:t+1,:,:] + h_PS_t = cat_neighbors_nodes(h_S, h_P_t, P_idx_t) + h_PSV_encoder_t = P_idx_mask_fw[:,t:t+1,:,:] * cat_neighbors_nodes(h_V, h_PS_t, P_idx_t) + for l, local_layer in enumerate(self.decoder_layers): + # local layer + h_PSV_decoder_t = cat_neighbors_nodes(h_V_stack[l], h_PS_t, P_idx_t) + h_V_t = h_V_stack[l][:,t:t+1,:] + h_PSV_t = P_idx_mask_bw[:,t:t+1,:,:] * h_PSV_decoder_t + h_PSV_encoder_t + + h_V_stack[l+1][:,t,:] = local_layer( + h_V_t, h_PSV_t, mask_V=mask[:, t:t+1] + ).squeeze(1) + # Sampling step + h_V_t = h_V_stack[-1][:,t,:] + logits = self.W_out(h_V_t) / temperature + probs = F.softmax(logits, dim=-1) + S_t = torch.multinomial(probs, 1).squeeze(-1) + # Update + h_S[:,t,:] = self.W_s(S_t) + S[:,t] = S_t + + all_probs.append(probs) + + self.probs = torch.cat(all_probs, dim=0) + + t3 = time.time() + self.encode_t += t2-t1 + self.decode_t += t3-t2 + return S \ No newline at end of file diff --git a/Flexpert-Design/src/models/graphtrans_model.py b/Flexpert-Design/src/models/graphtrans_model.py new file mode 100644 index 0000000000000000000000000000000000000000..40838739745baa989714e74e10d0790c06e90c43 --- /dev/null +++ b/Flexpert-Design/src/models/graphtrans_model.py @@ -0,0 +1,17 @@ +from src.models.structgnn_model import StructGNN_Model +from src.modules.graphtrans_module import Struct2Seq + + +class GraphTrans_Model(StructGNN_Model): + def __init__(self, args): + StructGNN_Model.__init__(self, args) + + self.model = Struct2Seq( + num_letters=args.vocab_size, + node_features=args.hidden, + edge_features=args.hidden, + hidden_dim=args.hidden, + k_neighbors=args.k_neighbors, + protein_features=args.features, + dropout=args.dropout, + use_mpnn=False) \ No newline at end of file diff --git a/Flexpert-Design/src/models/gvp_model.py b/Flexpert-Design/src/models/gvp_model.py new file mode 100644 index 0000000000000000000000000000000000000000..49872b722855fccc95c149eb37d53f69299df6a4 --- /dev/null +++ b/Flexpert-Design/src/models/gvp_model.py @@ -0,0 +1,183 @@ +import torch +import torch.nn as nn +from torch.distributions import Categorical +from torch_scatter import scatter_mean + +from src.modules.gvp_module import GVP, GVPConvLayer, LayerNorm, tuple_index + + +class GVP_Model(nn.Module): + ''' + GVP-GNN for structure-conditioned autoregressive + protein design as described in manuscript. + + Takes in protein structure graphs of type `torch_geometric.data.Data` + or `torch_geometric.data.Batch` and returns a categorical distribution + over 20 amino acids at each position in a `torch.Tensor` of + shape [n_nodes, 20]. + + Should be used with `gvp.data.ProteinGraphDataset`, or with generators + of `torch_geometric.data.Batch` objects with the same attributes. + + The standard forward pass requires sequence information as input + and should be used for training or evaluating likelihood. + For sampling or design, use `self.sample`. + + :param node_in_dim: node dimensions in input graph, should be + (6, 3) if using original features + :param node_h_dim: node dimensions to use in GVP-GNN layers + :param node_in_dim: edge dimensions in input graph, should be + (32, 1) if using original features + :param edge_h_dim: edge dimensions to embed to before use + in GVP-GNN layers + :param num_layers: number of GVP-GNN layers in each of the encoder + and decoder modules + :param drop_rate: rate to use in all dropout layers + ''' + def __init__(self, args, drop_rate=0.1): + + super(GVP_Model, self).__init__() + self.args = args + self.node_in_dim = (6, 3) + self.node_h_dim = (100, 16) + self.edge_in_dim = (32, 1) + self.edge_h_dim = (32, 1) + self.num_layers = 3 + self.W_v = nn.Sequential( + GVP(self.node_in_dim, self.node_h_dim, activations=(None, None)), + LayerNorm(self.node_h_dim) + ) + self.W_e = nn.Sequential( + GVP(self.edge_in_dim, self.edge_h_dim, activations=(None, None)), + LayerNorm(self.edge_h_dim) + ) + + self.encoder_layers = nn.ModuleList( + GVPConvLayer(self.node_h_dim, self.edge_h_dim, drop_rate=drop_rate) + for _ in range(self.num_layers)) + + self.W_s = nn.Embedding(33, 20) + self.edge_h_dim = (self.edge_h_dim[0] + 20, self.edge_h_dim[1]) + + self.decoder_layers = nn.ModuleList( + GVPConvLayer(self.node_h_dim, self.edge_h_dim, + drop_rate=drop_rate, autoregressive=True) + for _ in range(self.num_layers)) + + self.W_out = GVP(self.node_h_dim, (33, 0), activations=(None, None)) + + self.encode_t = 0 + self.decode_t = 0 + + def _get_features(self, batch): + return batch + + def forward(self, batch): + ''' + Forward pass to be used at train-time, or evaluating likelihood. + + :param h_V: tuple (s, V) of node embeddings + :param edge_index: `torch.Tensor` of shape [2, num_edges] + :param h_E: tuple (s, V) of edge embeddings + :param seq: int `torch.Tensor` of shape [num_nodes] + ''' + h_V = (batch.node_s, batch.node_v) + h_E = (batch.edge_s, batch.edge_v) + edge_index = batch.edge_index + seq = batch.seq + h_V = self.W_v(h_V) + h_E = self.W_e(h_E) + + for layer in self.encoder_layers: + h_V = layer(h_V, edge_index, h_E) + + encoder_embeddings = h_V + + h_S = self.W_s(seq) + h_S = h_S[edge_index[0]] + h_S[edge_index[0] >= edge_index[1]] = 0 + h_E = (torch.cat([h_E[0], h_S], dim=-1), h_E[1]) + + for layer in self.decoder_layers: + h_V = layer(h_V, edge_index, h_E, autoregressive_x = encoder_embeddings) + + logits = self.W_out(h_V) + log_probs = nn.functional.log_softmax(logits, dim=-1) + return {'log_probs': log_probs, 'logits': logits} + + def sample(self, h_V, edge_index, h_E, n_samples, temperature=0.1): + ''' + Samples sequences auto-regressively from the distribution + learned by the model. + + :param h_V: tuple (s, V) of node embeddings + :param edge_index: `torch.Tensor` of shape [2, num_edges] + :param h_E: tuple (s, V) of edge embeddings + :param n_samples: number of samples + :param temperature: temperature to use in softmax + over the categorical distribution + + :return: int `torch.Tensor` of shape [n_samples, n_nodes] based on the + residue-to-int mapping of the original training data + ''' + + with torch.no_grad(): + device = edge_index.device + L = h_V[0].shape[0] + + h_V = self.W_v(h_V) + h_E = self.W_e(h_E) + + for layer in self.encoder_layers: + h_V = layer(h_V, edge_index, h_E) + + h_V = (h_V[0].repeat(n_samples, 1), + h_V[1].repeat(n_samples, 1, 1)) + + h_E = (h_E[0].repeat(n_samples, 1), + h_E[1].repeat(n_samples, 1, 1)) + + edge_index = edge_index.expand(n_samples, -1, -1) + offset = L * torch.arange(n_samples, device=device).view(-1, 1, 1) + edge_index = torch.cat(tuple(edge_index + offset), dim=-1) + + seq = torch.zeros(n_samples * L, device=device, dtype=torch.int) + h_S = torch.zeros(n_samples * L, 20, device=device) + + h_V_cache = [(h_V[0].clone(), h_V[1].clone()) for _ in self.decoder_layers] + + all_probs = [] + for i in range(L): + h_S_ = h_S[edge_index[0]] + h_S_[edge_index[0] >= edge_index[1]] = 0 + h_E_ = (torch.cat([h_E[0], h_S_], dim=-1), h_E[1]) + + edge_mask = edge_index[1] % L == i + edge_index_ = edge_index[:, edge_mask] + h_E_ = tuple_index(h_E_, edge_mask) + node_mask = torch.zeros(n_samples * L, device=device, dtype=torch.bool) + node_mask[i::L] = True + + for j, layer in enumerate(self.decoder_layers): + out = layer(h_V_cache[j], edge_index_, h_E_, + autoregressive_x=h_V_cache[0], node_mask=node_mask) + + out = tuple_index(out, node_mask) + + if j < len(self.decoder_layers)-1: + h_V_cache[j+1][0][i::L] = out[0] + h_V_cache[j+1][1][i::L] = out[1] + + logits = self.W_out(out) + seq[i::L] = Categorical(logits=logits / temperature).sample() + h_S[i::L] = self.W_s(seq[i::L]) + all_probs.append(torch.softmax(logits, dim=-1)) + + self.probs = torch.cat(all_probs, dim=0) + return seq.view(n_samples, L) + + def test_recovery(self, protein): + h_V = (protein.node_s, protein.node_v) + h_E = (protein.edge_s, protein.edge_v) + sample = self.sample(h_V, protein.edge_index, h_E, n_samples=1) + return sample.squeeze(0) \ No newline at end of file diff --git a/Flexpert-Design/src/models/kwdesign_model.py b/Flexpert-Design/src/models/kwdesign_model.py new file mode 100644 index 0000000000000000000000000000000000000000..458be700489d219822370ae9325b6161faf6afa9 --- /dev/null +++ b/Flexpert-Design/src/models/kwdesign_model.py @@ -0,0 +1,232 @@ +import time +import torch +import torch.nn as nn +from .MemoryTuning import MemoTuning +import copy +from .MemoryESM import MemoESM +from .MemoryPiFold import MemoPiFold_model +from .MemoryESMIF import MemoESMIF +import torch +from torch_scatter import scatter_sum + +def beam_search(post, k): + """Beam Search Decoder + + Parameters: + + post(Tensor) – the posterior of network. + k(int) – beam size of decoder. + + Outputs: + + indices(Tensor) – a beam of index sequence. + log_prob(Tensor) – a beam of log likelihood of sequence. + + Shape: + + post: (batch_size, seq_length, vocab_size). + indices: (batch_size, beam_size, seq_length). + log_prob: (batch_size, beam_size). + + Examples: + + >>> post = torch.softmax(torch.randn([32, 20, 1000]), -1) + >>> indices, log_prob = beam_search_decoder(post, 3) + + """ + + batch_size, seq_length, token_size = post.shape + log_post = post.log() + log_prob, indices = log_post[:, 0, :].topk(k, sorted=True) + indices = indices.unsqueeze(-1) + for i in range(1, seq_length): + log_prob = log_prob.unsqueeze(-1) + log_post[:, i, :].unsqueeze(1).repeat(1, k, 1) # [batch, k, 33] + log_prob, index = log_prob.view(batch_size, -1).topk(k, sorted=True) + index = index%token_size + indices = torch.cat([indices, index.unsqueeze(-1)], dim=-1) + return indices, log_prob + + +class Design_Model(nn.Module): + def __init__(self, args, temporature, msa_n, tunning_layers_n, tunning_layers_dim, input_design_dim, input_esm_dim, tunning_dropout, design_model, LM_model, ESMIF_model, param_path=None): + super(Design_Model, self).__init__() + self.args = args + self.temporature = temporature + self.msa_n = msa_n + self.design_model = design_model + self.LM_model = LM_model + self.ESMIF_model = ESMIF_model + # self.GNNTuning = GNNTuning_Model(num_encoder_layers=tunning_layers_n, hidden_dim=tunning_layers_dim, input_design_dim=input_design_dim, input_esm_dim=input_esm_dim, dropout = tunning_dropout) + self.GNNTuning = MemoTuning(args, tunning_layers_n, tunning_layers_dim, input_design_dim, input_esm_dim, tunning_dropout, tokenizer=self.LM_model.tokenizer) + # self.Predictor = nn.Linear(tunning_layers_dim, 21) + self.conf_max = 0 + self.patience = 0 + self.best_params = None + self.confidence = [] + if param_path is not None: + self.GNNTuning.load_state_dict(torch.load(param_path)) + + def get_MSA(self, pretrain_design): + pretrain_gnn_msa = pretrain_design + B, N = pretrain_gnn_msa['confs'].shape + probs, pred_ids, confs, attention_mask, titles = [], [], [], [], [] + + for m in range(self.msa_n): + titles.append(pretrain_design['title']) + probs.append(torch.softmax(pretrain_gnn_msa['probs']/self.temporature, dim=-1)) + # pred_ids.append( msa_pred_ids[:,m,:]) + pred_ids.append(torch.multinomial(probs[-1].reshape(-1,33), 1).reshape(B,N)) + + confs.append(probs[-1].reshape(-1,33)[torch.arange(pred_ids[-1].reshape(-1).shape[0]).cuda(),pred_ids[-1].reshape(-1)].reshape(B,N)) + attention_mask.append(pretrain_gnn_msa['attention_mask']) + + pretrain_esm_msa = {} + pretrain_esm_msa['title'] = sum(titles,[]) + pretrain_esm_msa['probs'] = torch.cat(probs, dim=0) + pretrain_esm_msa['pred_ids'] = torch.cat(pred_ids, dim=0) + pretrain_esm_msa['confs'] = torch.cat(confs, dim=0) + pretrain_esm_msa['attention_mask'] = torch.cat(attention_mask, dim=0) + return pretrain_esm_msa + + def forward(self, batch, design_memory=True, LM_memory=True, Struct_memory=True, Tuning_memory=True, ESMIF_memory=True): + ''' + MemoPiFold: batch_id,titile, E_idx, h_V, h_E + MemoESM: pred_ids, attention_mask, confs + Tunning: pretrain_design + - pred_ids, confs, embeds + pretrain_esm_msa + - pred_ids, confs, embeds + h_E, E_idx, batch_id + ''' + with torch.no_grad(): + pretrain_design = self.design_model(batch, design_memory) + + + if self.args.use_LM: + # language model forward + pretrain_msa = self.get_MSA(pretrain_design) + pretrain_esm_msa = self.LM_model(pretrain_msa, LM_memory) + + B, N = pretrain_design['confs'].shape + pretrain_esm_msa['embeds'] = pretrain_esm_msa['embeds'].reshape(self.msa_n, B, N, -1) + pretrain_esm_msa['pred_ids'] = pretrain_esm_msa['pred_ids'].reshape(self.msa_n, B, N) + pretrain_esm_msa['confs'] = pretrain_esm_msa['confs'].reshape(self.msa_n, B, N) + pretrain_esm_msa['attention_mask'] = pretrain_esm_msa['attention_mask'].reshape(self.msa_n, B, N) + + if self.args.use_gearnet: + # structure model forward + pretrain_msa = self.get_MSA(pretrain_design) + protein_seqs_msa = self.LM_model.tokenizer.decode(pretrain_msa['pred_ids'][pretrain_msa['attention_mask']], clean_up_tokenization_spaces=False).split(" ") + protein_coords_msa = batch['position'][:,1,:].repeat((self.msa_n,1)) + num_nodes = pretrain_msa['attention_mask'].sum(dim=1) + msa_id = torch.arange(self.msa_n, device=num_nodes.device).repeat_interleave(pretrain_design['attention_mask'].shape[0]) + pretrain_struct_msa = self.Struct_model(protein_seqs_msa, protein_coords_msa, num_nodes, msa_id, pretrain_msa['title'], Struct_memory) + + if self.args.use_esmif: + # esmif model forward + esm_feat = self.ESMIF_model(batch, ESMIF_memory) + + + new_batch = {} + new_batch['title'] = pretrain_design['title'] + new_batch['pretrain_design'] = pretrain_design + new_batch['h_E'] = batch['h_E'] + new_batch['E_idx'] = batch['E_idx'] + new_batch['batch_id'] = batch['batch_id'] + new_batch['attention_mask'] = pretrain_design['attention_mask'] + + if self.args.use_LM: + new_batch['pretrain_esm_msa'] = pretrain_esm_msa + if self.args.use_gearnet: + new_batch['pretrain_struct'] = pretrain_struct_msa + if self.args.use_esmif: + new_batch['esm_feat'] = esm_feat + + results = self.GNNTuning(new_batch, Tuning_memory) + + avg_confs = (results['attention_mask']*results['confs']).sum(dim=1)/results['attention_mask'].sum(dim=1) + self.confidence.append(avg_confs) + return results + + +class KWDesign_model(nn.Module): + def __init__(self, args): + super(KWDesign_model, self).__init__() + self.args = args + input_design_dim, input_esm_dim = args.input_design_dim, args.input_esm_dim + tunning_layers_dim = args.tunning_layers_dim + + self.memo_pifold = MemoPiFold_model(args) + self.memo_esmif = MemoESMIF() + # if args.load_memory: + # memory = torch.load(args.memory_path) + # self.memo_pifold = memory['memo_pifold'] + # self.memo_esmif = memory['memo_esmif'] + + for i in range(1, self.args.recycle_n+1): + if i==1: + self.register_module(f"Design{i}", + Design_Model(args, args.temporature, args.msa_n, args.tunning_layers_n, args.tunning_layers_dim, input_design_dim, input_esm_dim, args.tunning_dropout, self.memo_pifold, MemoESM(args), self.memo_esmif)) + else: + self.register_module(f"Design{i}", + Design_Model(args, args.temporature, args.msa_n, args.tunning_layers_n, args.tunning_layers_dim, tunning_layers_dim, input_esm_dim, args.tunning_dropout, self.get_submodule(f"Design{i-1}"), MemoESM(args), self.memo_esmif)) + + def update(self, batch, node_nums, conf, results, log_probs_mat, threshold, current_batch_id): + fix_mask = conf>threshold + log_probs_mat[current_batch_id[fix_mask]] = results['log_probs'][fix_mask] + current_batch_id = current_batch_id[conf<=threshold] + + batch_id_old = batch['batch_id'] + batch_id_old2new = torch.zeros_like(batch_id_old)-1 + batch_id_old2new[current_batch_id] = torch.arange(current_batch_id.shape[0], device=conf.device) + + + node_mask = (batch_id_old.view(-1,1) == current_batch_id).any(dim=1) + edge_mask = node_mask[batch['E_idx'][0]] + shift_old = torch.cat([torch.zeros(1, device=node_nums.device),node_nums.cumsum(dim=0)]).long() + shift_new = torch.cat([torch.zeros(1, device=node_nums.device),node_nums[current_batch_id].cumsum(dim=0)]).long() + + + edge_batch_id = batch_id_old[batch['E_idx'][0]] + E_idx = (batch['E_idx'] - shift_old[edge_batch_id] + shift_new[batch_id_old2new[edge_batch_id]])[:,edge_mask] + + new_batch = {"title": [batch['title'][int(idx)] for idx in current_batch_id], + "h_V": batch['h_V'][node_mask], + "h_E": batch['h_E'][edge_mask], + "E_idx": E_idx, + "batch_id": batch_id_old2new[batch_id_old[node_mask]], + "alphabet": batch["alphabet"], + "S": batch["S"], + "position": batch["position"]} + return new_batch, log_probs_mat, current_batch_id + + + def forward(self, batch): + mask_select_feat = lambda x, mask_attend: torch.masked_select(x, mask_attend.bool().unsqueeze(-1)).reshape(-1,x.shape[-1]) + + log_probs_list, confs_list = [], [] + for i in range(1, self.args.recycle_n+1): + module = self.get_submodule(f"Design{i}") + if i< self.args.recycle_n: + results = module(batch, Tuning_memory=True) + else: + results = module(batch, Tuning_memory=False) + + log_probs = mask_select_feat(results['log_probs'], results['attention_mask']) + log_probs_list.append(log_probs) + + confs = mask_select_feat(results['confs'][:,:,None], results['attention_mask']) + confs_list.append(confs) + + max_conf_idx = torch.cat(confs_list, dim=1).argmax(dim=1) + + log_probs_mat = torch.stack(log_probs_list) + log_probs = log_probs_mat[max_conf_idx, torch.arange(max_conf_idx.shape[0], device=max_conf_idx.device)] + + outputs = {f"log_probs{i+1}": log_probs_list[i] for i in range(len(log_probs_list))} + outputs["log_probs"]=log_probs + + return outputs + + + \ No newline at end of file diff --git a/Flexpert-Design/src/models/pifold_model.py b/Flexpert-Design/src/models/pifold_model.py new file mode 100644 index 0000000000000000000000000000000000000000..da53884b43b5c60dab3c7e69f309d3d58273c00c --- /dev/null +++ b/Flexpert-Design/src/models/pifold_model.py @@ -0,0 +1,360 @@ +import time +import torch +import math +import torch.nn as nn +from src.tools import gather_nodes, _dihedrals, _get_rbf, _get_dist, _rbf, _orientations_coarse_gl_tuple +import numpy as np +from src.modules.pifold_module import * +from transformers import AutoTokenizer + + +pair_lst = ['N-N', 'C-C', 'O-O', 'Cb-Cb', 'Ca-N', 'Ca-C', 'Ca-O', 'Ca-Cb', 'N-C', 'N-O', 'N-Cb', 'Cb-C', 'Cb-O', 'O-C', 'N-Ca', 'C-Ca', 'O-Ca', 'Cb-Ca', 'C-N', 'O-N', 'Cb-N', 'C-Cb', 'O-Cb', 'C-O'] + + +class PiFold_Model(nn.Module): + def __init__(self, args, **kwargs): + """ Graph labeling network """ + super(PiFold_Model, self).__init__() + self.args = args + self.augment_eps = args.augment_eps + node_features = args.node_features + edge_features = args.edge_features + hidden_dim = args.hidden_dim + dropout = args.dropout + num_encoder_layers = args.num_encoder_layers + self.top_k = args.k_neighbors + self.num_rbf = 16 + self.num_positional_embeddings = 16 + + self.dihedral_type = args.dihedral_type + self.tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir="./cache_dir/") + alphabet = [one for one in 'ACDEFGHIKLMNPQRSTVWYX'] + self.token_mask = torch.tensor([(one in alphabet) for one in self.tokenizer._token_to_id.keys()]) + + # self.full_atom_dis = args.full_atom_dis + + # node_in = 12 + + # node_in = node_in + 9 + 576 # node_in + 9 + 576 + prior_matrix = [ + [-0.58273431, 0.56802827, -0.54067466], + [0.0 , 0.83867057, -0.54463904], + [0.01984028, -0.78380804, -0.54183614], + ] + + # prior_matrix = torch.rand(self.args.virtual_num,3) + self.virtual_atoms = nn.Parameter(torch.tensor(prior_matrix)[:self.args.virtual_num,:]) + # num_va = self.virtual_atoms.shape[0] + # edge_in = (15 + 9 * num_va + (num_va - 1) * num_va) * 16 + 16 + 7 + + node_in = 0 + if self.args.node_dist: + pair_num = 6 + if self.args.virtual_num>0: + pair_num += self.args.virtual_num*(self.args.virtual_num-1) + node_in += pair_num*self.num_rbf + if self.args.node_angle: + node_in += 12 + if self.args.node_direct: + node_in += 9 + + edge_in = 0 + if self.args.edge_dist: + pair_num = 0 + if self.args.Ca_Ca: + pair_num += 1 + if self.args.Ca_C: + pair_num += 2 + if self.args.Ca_N: + pair_num += 2 + if self.args.Ca_O: + pair_num += 2 + if self.args.C_C: + pair_num += 1 + if self.args.C_N: + pair_num += 2 + if self.args.C_O: + pair_num += 2 + if self.args.N_N: + pair_num += 1 + if self.args.N_O: + pair_num += 2 + if self.args.O_O: + pair_num += 1 + + + if self.args.virtual_num>0: + pair_num += self.args.virtual_num + pair_num += self.args.virtual_num*(self.args.virtual_num-1) + edge_in += pair_num*self.num_rbf + if self.args.edge_angle: + edge_in += 4 + if self.args.edge_direct: + edge_in += 12 + + if self.args.use_gvp_feat: + node_in = 12 + edge_in = 48-16 + + edge_in += 16+16 # position encoding, chain encoding + + self.node_embedding = nn.Linear(node_in, node_features, bias=True) + self.edge_embedding = nn.Linear(edge_in, edge_features, bias=True) + self.norm_nodes = nn.BatchNorm1d(node_features) + self.norm_edges = nn.BatchNorm1d(edge_features) + + self.W_v = nn.Sequential( + nn.Linear(node_features, hidden_dim, bias=True), + nn.LeakyReLU(), + nn.BatchNorm1d(hidden_dim), + nn.Linear(hidden_dim, hidden_dim, bias=True), + nn.LeakyReLU(), + nn.BatchNorm1d(hidden_dim), + nn.Linear(hidden_dim, hidden_dim, bias=True) + ) + + self.W_e = nn.Linear(edge_features, hidden_dim, bias=True) + self.W_f = nn.Linear(edge_features, hidden_dim, bias=True) + + self.encoder = StructureEncoder(hidden_dim, num_encoder_layers, dropout, args.updating_edges, args.att_output_mlp, args.node_output_mlp, args.node_net, args.edge_net, args.node_context, args.edge_context) + + # self.decoder = CNNDecoder(hidden_dim, hidden_dim, args.num_decoder_layers1, args.kernel_size1, args.act_type, args.glu) + # self.decoder2 = CNNDecoder2(hidden_dim, hidden_dim, args.num_decoder_layers2, args.kernel_size2, args.act_type, args.glu) + + self.decoder = MLPDecoder(hidden_dim, hidden_dim, args.num_decoder_layers1, args.kernel_size1, args.act_type, args.glu, vocab=len(self.tokenizer._token_to_id)) + # self.chain_embed = nn.Embedding(2,16) + self._init_params() + + self.encode_t = 0 + self.decode_t = 0 + + def forward(self, batch): + h_V, h_P, P_idx, batch_id = batch['_V'], batch['_E'], batch['E_idx'], batch['batch_id'] + t1 = time.time() + h_V = self.W_v(self.norm_nodes(self.node_embedding(h_V))) + h_P = self.W_e(self.norm_edges(self.edge_embedding(h_P))) + + h_V, h_P = self.encoder(h_V, h_P, P_idx, batch_id) + t2 = time.time() + + + + log_probs, logits = self.decoder(h_V, batch_id, self.token_mask) + + # log_probs, logits = self.decoder2(h_V, logits, batch_id) + t3 = time.time() + + self.encode_t += t2-t1 + self.decode_t += t3-t2 + # return log_probs, log_probs0 + return {'log_probs': log_probs} + + def _init_params(self): + for name, p in self.named_parameters(): + if name == 'virtual_atoms': + continue + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + def _full_dist(self, X, mask, top_k=30, eps=1E-6): + mask_2D = torch.unsqueeze(mask,1) * torch.unsqueeze(mask,2) + dX = torch.unsqueeze(X,1) - torch.unsqueeze(X,2) + D = (1. - mask_2D)*10000 + 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+1) + D_neighbors, E_idx = torch.topk(D_adjust, min(top_k, D_adjust.shape[-1]), dim=-1, largest=False) + return D_neighbors, E_idx + + def _get_features(self, batch): + S, score, X, mask, chain_mask, chain_encoding = batch['S'], batch['score'], batch['X'], batch['mask'], batch['chain_mask'], batch['chain_encoding'] + + device = X.device + mask_bool = (mask==1) + B, N, _,_ = X.shape + X_ca = X[:,:,1,:] + D_neighbors, E_idx = self._full_dist(X_ca, mask, self.top_k) + + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) + mask_attend = (mask.unsqueeze(-1) * mask_attend) == 1 + edge_mask_select = lambda x: torch.masked_select(x, mask_attend.unsqueeze(-1)).reshape(-1,x.shape[-1]) + node_mask_select = lambda x: torch.masked_select(x, mask_bool.unsqueeze(-1)).reshape(-1, x.shape[-1]) + + + + # sequence + S = torch.masked_select(S, mask_bool) + if score is not None: + score = torch.masked_select(score, mask_bool) + chain_mask = torch.masked_select(chain_mask, mask_bool) + chain_encoding = torch.masked_select(chain_encoding, mask_bool) + + # angle & direction + V_angles = _dihedrals(X, self.dihedral_type) + V_angles = node_mask_select(V_angles) + + V_direct, E_direct, E_angles = _orientations_coarse_gl_tuple(X, E_idx) + V_direct = node_mask_select(V_direct) + E_direct = edge_mask_select(E_direct) + E_angles = edge_mask_select(E_angles) + + # distance + atom_N = X[:,:,0,:] + atom_Ca = X[:,:,1,:] + atom_C = X[:,:,2,:] + atom_O = X[:,:,3,:] + b = atom_Ca - atom_N + c = atom_C - atom_Ca + a = torch.cross(b, c, dim=-1) + + if self.args.virtual_num>0: + virtual_atoms = self.virtual_atoms / torch.norm(self.virtual_atoms, dim=1, keepdim=True) + for i in range(self.virtual_atoms.shape[0]): + vars()['atom_v' + str(i)] = virtual_atoms[i][0] * a \ + + virtual_atoms[i][1] * b \ + + virtual_atoms[i][2] * c \ + + 1 * atom_Ca + + node_list = ['Ca-N', 'Ca-C', 'Ca-O', 'N-C', 'N-O', 'O-C'] + node_dist = [] + for pair in node_list: + atom1, atom2 = pair.split('-') + node_dist.append( node_mask_select(_get_rbf(vars()['atom_' + atom1], vars()['atom_' + atom2], None, self.num_rbf).squeeze())) + + if self.args.virtual_num>0: + for i in range(self.virtual_atoms.shape[0]): + for j in range(0, i): + node_dist.append(node_mask_select(_get_rbf(vars()['atom_v' + str(i)], vars()['atom_v' + str(j)], None, self.num_rbf).squeeze())) + node_dist.append(node_mask_select(_get_rbf(vars()['atom_v' + str(j)], vars()['atom_v' + str(i)], None, self.num_rbf).squeeze())) + V_dist = torch.cat(tuple(node_dist), dim=-1).squeeze() + + + + pair_lst = [] + if self.args.Ca_Ca: + pair_lst.append('Ca-Ca') + if self.args.Ca_C: + pair_lst.append('Ca-C') + pair_lst.append('C-Ca') + if self.args.Ca_N: + pair_lst.append('Ca-N') + pair_lst.append('N-Ca') + if self.args.Ca_O: + pair_lst.append('Ca-O') + pair_lst.append('O-Ca') + if self.args.C_C: + pair_lst.append('C-C') + if self.args.C_N: + pair_lst.append('C-N') + pair_lst.append('N-C') + if self.args.C_O: + pair_lst.append('C-O') + pair_lst.append('O-C') + if self.args.N_N: + pair_lst.append('N-N') + if self.args.N_O: + pair_lst.append('N-O') + pair_lst.append('O-N') + if self.args.O_O: + pair_lst.append('O-O') + + + edge_dist = [] #Ca-Ca + for pair in pair_lst: + atom1, atom2 = pair.split('-') + rbf = _get_rbf(vars()['atom_' + atom1], vars()['atom_' + atom2], E_idx, self.num_rbf) + edge_dist.append(edge_mask_select(rbf)) + + if self.args.virtual_num>0: + for i in range(self.virtual_atoms.shape[0]): + edge_dist.append(edge_mask_select(_get_rbf(vars()['atom_v' + str(i)], vars()['atom_v' + str(i)], E_idx, self.num_rbf))) + + for j in range(0, i): + edge_dist.append(edge_mask_select(_get_rbf(vars()['atom_v' + str(i)], vars()['atom_v' + str(j)], E_idx, self.num_rbf))) + edge_dist.append(edge_mask_select(_get_rbf(vars()['atom_v' + str(j)], vars()['atom_v' + str(i)], E_idx, self.num_rbf))) + + + E_dist = torch.cat(tuple(edge_dist), dim=-1) + + h_V = [] + if self.args.node_dist: + h_V.append(V_dist) + if self.args.node_angle: + h_V.append(V_angles) + if self.args.node_direct: + h_V.append(V_direct) + + h_E = [] + if self.args.edge_dist: + h_E.append(E_dist) + if self.args.edge_angle: + h_E.append(E_angles) + if self.args.edge_direct: + h_E.append(E_direct) + + _V = torch.cat(h_V, dim=-1) + _E = torch.cat(h_E, dim=-1) + + # edge index + shift = mask.sum(dim=1).cumsum(dim=0) - mask.sum(dim=1) + src = shift.view(B,1,1) + E_idx + src = torch.masked_select(src, mask_attend).view(1,-1) + dst = shift.view(B,1,1) + torch.arange(0, N, device=src.device).view(1,-1,1).expand_as(mask_attend) + dst = torch.masked_select(dst, mask_attend).view(1,-1) + E_idx = torch.cat((dst, src), dim=0).long() + + pos_embed = self._positional_embeddings(E_idx, 16) + _E = torch.cat([_E, pos_embed], dim=-1) + + d_chains = ((chain_encoding[dst.long()] - chain_encoding[src.long()])==0).long().reshape(-1) + chain_embed = self._idx_embeddings(d_chains) + _E = torch.cat([_E, chain_embed], dim=-1) + + # 3D point + sparse_idx = mask.nonzero() # index of non-zero values + X = X[sparse_idx[:,0], sparse_idx[:,1], :, :] + batch_id = sparse_idx[:,0] + + mask = torch.masked_select(mask, mask_bool) + batch.update({'X':X, + 'S':S, + 'score':score, + '_V':_V, + '_E':_E, + 'E_idx':E_idx, + 'batch_id': batch_id, + 'mask': mask, + 'chain_mask': chain_mask, + 'chain_encoding': chain_encoding}) + return batch + + + + + def _positional_embeddings(self, E_idx, + num_embeddings=None): + # From https://github.com/jingraham/neurips19-graph-protein-design + num_embeddings = num_embeddings or self.num_positional_embeddings + d = E_idx[0]-E_idx[1] + + frequency = torch.exp( + torch.arange(0, num_embeddings, 2, dtype=torch.float32, device=E_idx.device) + * -(np.log(10000.0) / num_embeddings) + ) + angles = d[:,None] * frequency[None,:] + E = torch.cat((torch.cos(angles), torch.sin(angles)), -1) + return E + + def _idx_embeddings(self, d, + num_embeddings=None): + # From https://github.com/jingraham/neurips19-graph-protein-design + num_embeddings = num_embeddings or self.num_positional_embeddings + + frequency = torch.exp( + torch.arange(0, num_embeddings, 2, dtype=torch.float32, device=d.device) + * -(np.log(10000.0) / num_embeddings) + ) + angles = d[:,None] * frequency[None,:] + E = torch.cat((torch.cos(angles), torch.sin(angles)), -1) + return E + \ No newline at end of file diff --git a/Flexpert-Design/src/models/proteinmpnn_model.py b/Flexpert-Design/src/models/proteinmpnn_model.py new file mode 100644 index 0000000000000000000000000000000000000000..5f705a12f5951368aa4846fc23be340f62107585 --- /dev/null +++ b/Flexpert-Design/src/models/proteinmpnn_model.py @@ -0,0 +1,442 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F +import itertools +import numpy as np + +from src.modules.graphtrans_module import gather_nodes, cat_neighbors_nodes +from src.modules.proteinmpnn_module import EncLayer, DecLayer, ProteinFeatures + + +class ProteinMPNN_Model(nn.Module): + def __init__(self, args, **kwargs): + """ Graph labeling network """ + super(ProteinMPNN_Model, self).__init__() + # Hyperparameters + self.node_features = args.hidden + self.edge_features = args.hidden + self.hidden_dim = args.hidden + self.k_neighbors = args.k_neighbors + self.augment_eps = args.augment_eps + self.vocab = args.vocab + self.num_letters = args.num_letters + self.num_encoder_layers = args.num_encoder_layers + self.num_decoder_layers = args.num_decoder_layers + self.dropout = args.dropout + + self.proteinmpnn_type = args.proteinmpnn_type + if args.proteinmpnn_type == 1: + self.augment_eps = 0.02 + self.init_flex_features = args.init_flex_features + self.use_dynamics = args.use_dynamics + # Featurization layers + self.features = ProteinFeatures(self.node_features, self.edge_features, top_k=self.k_neighbors, augment_eps=self.augment_eps, proteinmpnn_type=self.proteinmpnn_type) + + self.W_e = nn.Linear(self.edge_features, self.hidden_dim, bias=True) + self.W_s = nn.Embedding(self.vocab, self.hidden_dim) + + + # import pdb; pdb.set_trace() #TODO check the path is correctly read from the config + self.init_pmpnn_weights = args.use_pmpnn_checkpoint + self.pmpnn_init_weights_path = None if not self.init_pmpnn_weights else args.starting_checkpoint_path + + # Encoder layers + self.encoder_layers = nn.ModuleList([ + EncLayer(self.hidden_dim, self.hidden_dim*2, dropout=self.dropout, proteinmpnn_type=self.proteinmpnn_type) + for _ in range(self.num_encoder_layers) + ]) + + # Decoder layers + self.decoder_layers = nn.ModuleList([ + DecLayer(self.hidden_dim, self.hidden_dim*3, dropout=self.dropout) + for _ in range(self.num_decoder_layers) + ]) + self.W_out = nn.Linear(self.hidden_dim, self.num_letters, bias=True) + + for p in self.parameters(): + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + self._init_params() + + # self.gt_flex_cache = {} + + def _init_params(self): + for p in self.parameters(): + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + def _autoregressive_mask(self, E_idx): + N_nodes = E_idx.size(1) + ii = torch.arange(N_nodes) + ii = ii.view((1, -1, 1)).to(E_idx.device) + mask = E_idx - ii < 0 + mask = mask.type(torch.float32) + return mask + + def _get_features(self, batch): + return batch + + def forward(self, batch, use_input_decoding_order=False, decoding_order=None): + """ Graph-conditioned sequence model """ + X, S, score, mask, lengths, chain_M, chain_M_pos, residue_idx, chain_encoding_all = batch['X'], batch['S'], batch['score'], batch['mask'], batch['lengths'], batch['chain_M'], batch['chain_M_pos'], batch['residue_idx'], batch['chain_encoding_all'] + # import pdb; pdb.set_trace() + randn = torch.randn(chain_M.shape, device=X.device) + chain_M = chain_M*chain_M_pos + + + device = X.device + # Prepare node and edge embeddings + E, E_idx = self.features(X, mask, residue_idx, chain_encoding_all) + + if self.init_flex_features: #and self.use_dynamics: + # gt_seq = batch['S'] + # anm_input = batch['enm_vals'] + gt_flex = batch['gt_flex'] + # trail_idcs = torch.argmax((batch['S'] == 0).int(), dim=1) + # trail_idcs[trail_idcs == 0] = batch['S'].shape[1] + # cache_keys = list(batch['title']) + + # # Check if all cache_keys are in self.gt_flex_cache + # all_keys_in_cache = all(cache_key in self.gt_flex_cache for cache_key in cache_keys) + # #TODO: check the keys!!! + # if not all_keys_in_cache: + # gt_flex = self.flex_model(None, anm_input, trail_idcs, attention_mask=batch['mask'], sampled_pmpnn_sequence=gt_seq, alphabet='pmpnn')['predicted_flex'][:,:-1,0] + # for key, val in zip(cache_keys, gt_flex): + # self.gt_flex_cache[key] = val + # else: + # retrieved_gt_flexs = [] + # for key in cache_keys: + # _gt_flex = self.gt_flex_cache[key] + # retrieved_gt_flexs.append(_gt_flex) + # gt_flex = torch.cat(retrieved_gt_flexs, dim=0) + + h_V = gt_flex.unsqueeze(-1).expand(-1, -1, E.shape[-1]).clone() + h_V = torch.nan_to_num(h_V, nan=0.0) + else: + 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) + + if self.proteinmpnn_type == 4: + mask_attend = self._autoregressive_mask(E_idx).unsqueeze(-1) + else: + 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))) # [8, 901] + # [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() # [8, 901, 901] + 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':log_probs, 'logits':logits} + + 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, 33), device=device) + all_probs = torch.zeros((N_batch, N_nodes, 33), 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) + + probs = F.softmax(logits, 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) + S_t = probs.argmax(dim=-1, keepdim=True) + all_probs.scatter_(1, t[:,None,None].repeat(1,1,33), (chain_mask_gathered[:,:,None,]*probs[:,None,:]).float()) + S_true_gathered = torch.gather(S_true, 1, t[:,None]) + S_t = (S_t*chain_mask_gathered+S_true_gathered*(1.0-chain_mask_gathered)).long() + temp1 = self.W_s(S_t) + h_S.scatter_(1, t[:,None,None].repeat(1,1,temp1.shape[-1]), temp1) + S.scatter_(1, t[:,None], S_t) + output_dict = {"S": S, "probs": all_probs, "decoding_order": decoding_order} + return output_dict + + + def tied_sample(self, X, randn, S_true, chain_mask, chain_encoding_all, residue_idx, mask=None, temperature=1.0, omit_AAs_np=None, bias_AAs_np=None, chain_M_pos=None, omit_AA_mask=None, pssm_coef=None, pssm_bias=None, pssm_multi=None, pssm_log_odds_flag=None, pssm_log_odds_mask=None, pssm_bias_flag=None, tied_pos=None, tied_beta=None, bias_by_res=None): + device = X.device + # Prepare node and edge embeddings + E, E_idx = self.features(X, mask, residue_idx, chain_encoding_all) + h_V = torch.zeros((E.shape[0], E.shape[1], E.shape[-1]), device=device) + h_E = self.W_e(E) + # Encoder is unmasked self-attention + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) + mask_attend = mask.unsqueeze(-1) * mask_attend + for layer in self.encoder_layers: + h_V, h_E = layer(h_V, h_E, E_idx, mask, mask_attend) + + # Decoder uses masked self-attention + chain_mask = chain_mask*chain_M_pos*mask #update chain_M to include missing regions + decoding_order = torch.argsort((chain_mask+0.0001)*(torch.abs(randn))) #[numbers will be smaller for places where chain_M = 0.0 and higher for places where chain_M = 1.0] + + new_decoding_order = [] + for t_dec in list(decoding_order[0,].cpu().data.numpy()): + if t_dec not in list(itertools.chain(*new_decoding_order)): + list_a = [item for item in tied_pos if t_dec in item] + if list_a: + new_decoding_order.append(list_a[0]) + else: + new_decoding_order.append([t_dec]) + decoding_order = torch.tensor(list(itertools.chain(*new_decoding_order)), device=device)[None,].repeat(X.shape[0],1) + + mask_size = E_idx.shape[1] + permutation_matrix_reverse = torch.nn.functional.one_hot(decoding_order, num_classes=mask_size).float() + order_mask_backward = torch.einsum('ij, biq, bjp->bqp',(1-torch.triu(torch.ones(mask_size,mask_size, device=device))), permutation_matrix_reverse, permutation_matrix_reverse) + mask_attend = torch.gather(order_mask_backward, 2, E_idx).unsqueeze(-1) + mask_1D = mask.view([mask.size(0), mask.size(1), 1, 1]) + mask_bw = mask_1D * mask_attend + mask_fw = mask_1D * (1. - mask_attend) + + N_batch, N_nodes = X.size(0), X.size(1) + log_probs = torch.zeros((N_batch, N_nodes, 21), device=device) + all_probs = torch.zeros((N_batch, N_nodes, 21), device=device, dtype=torch.float32) + h_S = torch.zeros_like(h_V, device=device) + S = torch.zeros((N_batch, N_nodes), dtype=torch.int64, device=device) + h_V_stack = [h_V] + [torch.zeros_like(h_V, device=device) for _ in range(len(self.decoder_layers))] + constant = torch.tensor(omit_AAs_np, device=device) + constant_bias = torch.tensor(bias_AAs_np, device=device) + omit_AA_mask_flag = omit_AA_mask != None + + h_EX_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_E, E_idx) + h_EXV_encoder = cat_neighbors_nodes(h_V, h_EX_encoder, E_idx) + h_EXV_encoder_fw = mask_fw * h_EXV_encoder + for t_list in new_decoding_order: + logits = 0.0 + logit_list = [] + done_flag = False + for t in t_list: + if (chain_mask[:,t]==0).all(): + S_t = S_true[:,t] + for t in t_list: + h_S[:,t,:] = self.W_s(S_t) + S[:,t] = S_t + done_flag = True + break + else: + E_idx_t = E_idx[:,t:t+1,:] + h_E_t = h_E[:,t:t+1,:,:] + h_ES_t = cat_neighbors_nodes(h_S, h_E_t, E_idx_t) + h_EXV_encoder_t = h_EXV_encoder_fw[:,t:t+1,:,:] + mask_t = mask[:,t:t+1] + for l, layer in enumerate(self.decoder_layers): + h_ESV_decoder_t = cat_neighbors_nodes(h_V_stack[l], h_ES_t, E_idx_t) + h_V_t = h_V_stack[l][:,t:t+1,:] + h_ESV_t = mask_bw[:,t:t+1,:,:] * h_ESV_decoder_t + h_EXV_encoder_t + h_V_stack[l+1][:,t,:] = layer(h_V_t, h_ESV_t, mask_V=mask_t).squeeze(1) + h_V_t = h_V_stack[-1][:,t,:] + logit_list.append((self.W_out(h_V_t) / temperature)/len(t_list)) + logits += tied_beta[t]*(self.W_out(h_V_t) / temperature)/len(t_list) + if done_flag: + pass + else: + bias_by_res_gathered = bias_by_res[:,t,:] #[B, 21] + probs = F.softmax(logits-constant[None,:]*1e8+constant_bias[None,:]/temperature+bias_by_res_gathered/temperature, dim=-1) + if pssm_bias_flag: + pssm_coef_gathered = pssm_coef[:,t] + pssm_bias_gathered = pssm_bias[:,t] + probs = (1-pssm_multi*pssm_coef_gathered[:,None])*probs + pssm_multi*pssm_coef_gathered[:,None]*pssm_bias_gathered + if pssm_log_odds_flag: + pssm_log_odds_mask_gathered = pssm_log_odds_mask[:,t] + probs_masked = probs*pssm_log_odds_mask_gathered + probs_masked += probs * 0.001 + probs = probs_masked/torch.sum(probs_masked, dim=-1, keepdim=True) #[B, 21] + if omit_AA_mask_flag: + omit_AA_mask_gathered = omit_AA_mask[:,t] + probs_masked = probs*(1.0-omit_AA_mask_gathered) + probs = probs_masked/torch.sum(probs_masked, dim=-1, keepdim=True) #[B, 21] + S_t_repeat = torch.multinomial(probs, 1).squeeze(-1) + for t in t_list: + h_S[:,t,:] = self.W_s(S_t_repeat) + S[:,t] = S_t_repeat + all_probs[:,t,:] = probs.float() + output_dict = {"S": S, "probs": all_probs, "decoding_order": decoding_order} + return output_dict + + + def conditional_probs(self, X, S, mask, chain_M, residue_idx, chain_encoding_all, randn, backbone_only=False): + """ Graph-conditioned sequence model """ + device=X.device + # Prepare node and edge embeddings + E, E_idx = self.features(X, mask, residue_idx, chain_encoding_all) + h_V_enc = torch.zeros((E.shape[0], E.shape[1], E.shape[-1]), device=E.device) + h_E = self.W_e(E) + + # Encoder is unmasked self-attention + mask_attend = gather_nodes(mask.unsqueeze(-1), E_idx).squeeze(-1) + mask_attend = mask.unsqueeze(-1) * mask_attend + for layer in self.encoder_layers: + h_V_enc, h_E = layer(h_V_enc, h_E, E_idx, mask, mask_attend) + + # Concatenate sequence embeddings for autoregressive decoder + h_S = self.W_s(S) + h_ES = cat_neighbors_nodes(h_S, h_E, E_idx) + + # Build encoder embeddings + h_EX_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_E, E_idx) + h_EXV_encoder = cat_neighbors_nodes(h_V_enc, h_EX_encoder, E_idx) + + + chain_M = chain_M*mask #update chain_M to include missing regions + + chain_M_np = chain_M.cpu().numpy() + idx_to_loop = np.argwhere(chain_M_np[0,:]==1)[:,0] + log_conditional_probs = torch.zeros([X.shape[0], chain_M.shape[1], 21], device=device).float() + + for idx in idx_to_loop: + h_V = torch.clone(h_V_enc) + order_mask = torch.zeros(chain_M.shape[1], device=device).float() + if backbone_only: + order_mask = torch.ones(chain_M.shape[1], device=device).float() + order_mask[idx] = 0. + else: + order_mask = torch.zeros(chain_M.shape[1], device=device).float() + order_mask[idx] = 1. + decoding_order = torch.argsort((order_mask[None,]+0.0001)*(torch.abs(randn))) #[numbers will be smaller for places where chain_M = 0.0 and higher for places where chain_M = 1.0] + mask_size = E_idx.shape[1] + permutation_matrix_reverse = torch.nn.functional.one_hot(decoding_order, num_classes=mask_size).float() + order_mask_backward = torch.einsum('ij, biq, bjp->bqp',(1-torch.triu(torch.ones(mask_size,mask_size, device=device))), permutation_matrix_reverse, permutation_matrix_reverse) + mask_attend = torch.gather(order_mask_backward, 2, E_idx).unsqueeze(-1) + mask_1D = mask.view([mask.size(0), mask.size(1), 1, 1]) + mask_bw = mask_1D * mask_attend + mask_fw = mask_1D * (1. - mask_attend) + + h_EXV_encoder_fw = mask_fw * h_EXV_encoder + for layer in self.decoder_layers: + # Masked positions attend to encoder information, unmasked see. + h_ESV = cat_neighbors_nodes(h_V, h_ES, E_idx) + h_ESV = mask_bw * h_ESV + h_EXV_encoder_fw + h_V = layer(h_V, h_ESV, mask) + + logits = self.W_out(h_V) + log_probs = F.log_softmax(logits, dim=-1) + log_conditional_probs[:,idx,:] = log_probs[:,idx,:] + return log_conditional_probs + + + 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 \ No newline at end of file diff --git a/Flexpert-Design/src/models/prottrans.py b/Flexpert-Design/src/models/prottrans.py new file mode 100644 index 0000000000000000000000000000000000000000..68fc5179d60611a079ccc3773846c6379f76f7bf --- /dev/null +++ b/Flexpert-Design/src/models/prottrans.py @@ -0,0 +1,505 @@ +#import dependencies +import os.path + +import torch +import torch.nn as nn +import torch.nn.functional as F +from torch.nn import BCEWithLogitsLoss, CrossEntropyLoss, MSELoss +from torch.utils.data import DataLoader + +import re +import numpy as np +import pandas as pd +import copy +import pdb + +import transformers, datasets +from transformers.modeling_outputs import TokenClassifierOutput +from transformers.models.t5.modeling_t5 import T5Config, T5PreTrainedModel, T5Stack +from transformers.utils.model_parallel_utils import assert_device_map, get_device_map +from transformers import T5EncoderModel, T5Tokenizer +from transformers import TrainingArguments, Trainer, set_seed + +#DataCollator +from transformers.data.data_collator import DataCollatorMixin +from transformers.tokenization_utils_base import PreTrainedTokenizerBase +from transformers.utils import PaddingStrategy + +import random +import warnings +from collections.abc import Mapping +from dataclasses import dataclass +from random import randint +from typing import Any, Callable, Dict, List, NewType, Optional, Tuple, Union + +from evaluate import load +from datasets import Dataset + +from tqdm import tqdm +import random + +from scipy import stats +from sklearn.metrics import accuracy_score + +import matplotlib.pyplot as plt + +from Bio import SeqIO +from io import StringIO +import requests +import tempfile + +from sklearn.model_selection import train_test_split +import csv + + +#### UTILS + +class LoRAConfig: + def __init__(self): + self.lora_rank = 4 + self.lora_init_scale = 0.01 + self.lora_modules = ".*SelfAttention|.*EncDecAttention" + self.lora_layers = "q|k|v|o" + self.trainable_param_names = ".*layer_norm.*|.*lora_[ab].*" + self.lora_scaling_rank = 1 + # lora_modules and lora_layers are speicified with regular expressions + # see https://www.w3schools.com/python/python_regex.asp for reference + +class LoRALinear(nn.Module): + def __init__(self, linear_layer, rank, scaling_rank, init_scale): + super().__init__() + self.in_features = linear_layer.in_features + self.out_features = linear_layer.out_features + self.rank = rank + self.scaling_rank = scaling_rank + self.weight = linear_layer.weight + self.bias = linear_layer.bias + if self.rank > 0: + self.lora_a = nn.Parameter(torch.randn(rank, linear_layer.in_features) * init_scale) + if init_scale < 0: + self.lora_b = nn.Parameter(torch.randn(linear_layer.out_features, rank) * init_scale) + else: + self.lora_b = nn.Parameter(torch.zeros(linear_layer.out_features, rank)) + if self.scaling_rank: + self.multi_lora_a = nn.Parameter( + torch.ones(self.scaling_rank, linear_layer.in_features) + + torch.randn(self.scaling_rank, linear_layer.in_features) * init_scale + ) + if init_scale < 0: + self.multi_lora_b = nn.Parameter( + torch.ones(linear_layer.out_features, self.scaling_rank) + + torch.randn(linear_layer.out_features, self.scaling_rank) * init_scale + ) + else: + self.multi_lora_b = nn.Parameter(torch.ones(linear_layer.out_features, self.scaling_rank)) + + def forward(self, input): + if self.scaling_rank == 1 and self.rank == 0: + # parsimonious implementation for ia3 and lora scaling + if self.multi_lora_a.requires_grad: + hidden = F.linear((input * self.multi_lora_a.flatten()), self.weight, self.bias) + else: + hidden = F.linear(input, self.weight, self.bias) + if self.multi_lora_b.requires_grad: + hidden = hidden * self.multi_lora_b.flatten() + return hidden + else: + # general implementation for lora (adding and scaling) + weight = self.weight + if self.scaling_rank: + weight = weight * torch.matmul(self.multi_lora_b, self.multi_lora_a) / self.scaling_rank + if self.rank: + weight = weight + torch.matmul(self.lora_b, self.lora_a) / self.rank + return F.linear(input, weight, self.bias) + + def extra_repr(self): + return "in_features={}, out_features={}, bias={}, rank={}, scaling_rank={}".format( + self.in_features, self.out_features, self.bias is not None, self.rank, self.scaling_rank + ) + +def modify_with_lora(transformer, config): + for m_name, module in dict(transformer.named_modules()).items(): + if re.fullmatch(config.lora_modules, m_name): + for c_name, layer in dict(module.named_children()).items(): + if re.fullmatch(config.lora_layers, c_name): + assert isinstance( + layer, nn.Linear + ), f"LoRA can only be applied to torch.nn.Linear, but {layer} is {type(layer)}." + setattr( + module, + c_name, + LoRALinear(layer, config.lora_rank, config.lora_scaling_rank, config.lora_init_scale), + ) + return transformer + +class ClassConfig: + def __init__(self, dropout=0.2, num_labels=1): + self.dropout_rate = dropout + self.num_labels = num_labels + +class T5EncoderForTokenClassification(T5PreTrainedModel): + + def __init__(self, config: T5Config, class_config): + super().__init__(config) + self.num_labels = class_config.num_labels + self.config = config + + self.shared = nn.Embedding(config.vocab_size, config.d_model) + + encoder_config = copy.deepcopy(config) + encoder_config.use_cache = False + encoder_config.is_encoder_decoder = False + self.encoder = T5Stack(encoder_config, self.shared) + + self.dropout = nn.Dropout(class_config.dropout_rate) + self.classifier = nn.Linear(config.hidden_size, class_config.num_labels) + + # Initialize weights and apply final processing + self.post_init() + + # Model parallel + self.model_parallel = False + self.device_map = None + + def parallelize(self, device_map=None): + self.device_map = ( + get_device_map(len(self.encoder.block), range(torch.cuda.device_count())) + if device_map is None + else device_map + ) + assert_device_map(self.device_map, len(self.encoder.block)) + self.encoder.parallelize(self.device_map) + self.classifier = self.classifier.to(self.encoder.first_device) + self.model_parallel = True + + def deparallelize(self): + self.encoder.deparallelize() + self.encoder = self.encoder.to("cpu") + self.model_parallel = False + self.device_map = None + torch.cuda.empty_cache() + + def get_input_embeddings(self): + return self.shared + + def set_input_embeddings(self, new_embeddings): + self.shared = new_embeddings + self.encoder.set_input_embeddings(new_embeddings) + + def get_encoder(self): + return self.encoder + + def _prune_heads(self, heads_to_prune): + """ + Prunes heads of the model. heads_to_prune: dict of {layer_num: list of heads to prune in this layer} See base + class PreTrainedModel + """ + for layer, heads in heads_to_prune.items(): + self.encoder.layer[layer].attention.prune_heads(heads) + + def forward( + self, + input_ids=None, + attention_mask=None, + head_mask=None, + inputs_embeds=None, + labels=None, + output_attentions=None, + output_hidden_states=None, + return_dict=None, + ): + return_dict = return_dict if return_dict is not None else self.config.use_return_dict + + outputs = self.encoder( + input_ids=input_ids, + attention_mask=attention_mask, + inputs_embeds=inputs_embeds, + head_mask=head_mask, + output_attentions=output_attentions, + output_hidden_states=output_hidden_states, + return_dict=return_dict, + ) + + sequence_output = outputs[0] + sequence_output = self.dropout(sequence_output) + logits = self.classifier(sequence_output) + + loss = None + if labels is not None: + loss_fct = MSELoss() + + active_loss = attention_mask.view(-1) == 1 + active_logits = logits.view(-1) + + active_labels = torch.where( + active_loss, labels.view(-1), torch.tensor(-100).type_as(labels) + ) + + valid_logits=active_logits[active_labels!=-100] + valid_labels=active_labels[active_labels!=-100] + + loss = loss_fct(valid_logits, valid_labels) + + + if not return_dict: + output = (logits,) + outputs[2:] + return ((loss,) + output) if loss is not None else output + + return TokenClassifierOutput( + loss=loss, + logits=logits, + hidden_states=outputs.hidden_states, + attentions=outputs.attentions, + ) + +def PT5_classification_model(num_labels, half_precision): + # Load PT5 and tokenizer + # possible to load the half preciion model (thanks to @pawel-rezo for pointing that out) + if not half_precision: + model = T5EncoderModel.from_pretrained("Rostlab/prot_t5_xl_uniref50") + tokenizer = T5Tokenizer.from_pretrained("Rostlab/prot_t5_xl_uniref50") + elif half_precision and torch.cuda.is_available() : + tokenizer = T5Tokenizer.from_pretrained('Rostlab/prot_t5_xl_half_uniref50-enc', do_lower_case=False) + model = T5EncoderModel.from_pretrained("Rostlab/prot_t5_xl_half_uniref50-enc", torch_dtype=torch.float16).to(torch.device('cuda')) + else: + raise ValueError('Half precision can be run on GPU only.') + + # Create new Classifier model with PT5 dimensions + class_config=ClassConfig(num_labels=num_labels) + class_model=T5EncoderForTokenClassification(model.config,class_config) + + # Set encoder and embedding weights to checkpoint weights + class_model.shared=model.shared + class_model.encoder=model.encoder + + # Delete the checkpoint model + model=class_model + del class_model + + # Print number of trainable parameters + model_parameters = filter(lambda p: p.requires_grad, model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ProtT5_Classfier\nTrainable Parameter: "+ str(params)) + + # Add model modification lora + config = LoRAConfig() + + # Add LoRA layers + model = modify_with_lora(model, config) + + # Freeze Embeddings and Encoder (except LoRA) + for (param_name, param) in model.shared.named_parameters(): + param.requires_grad = False + for (param_name, param) in model.encoder.named_parameters(): + param.requires_grad = False + + for (param_name, param) in model.named_parameters(): + if re.fullmatch(config.trainable_param_names, param_name): + param.requires_grad = True + + # Print trainable Parameter + model_parameters = filter(lambda p: p.requires_grad, model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ProtT5_LoRA_Classfier\nTrainable Parameter: "+ str(params) + "\n") + + return model, tokenizer + +@dataclass +class DataCollatorForTokenRegression(DataCollatorMixin): + """ + Data collator that will dynamically pad the inputs received, as well as the labels. + Args: + tokenizer ([`PreTrainedTokenizer`] or [`PreTrainedTokenizerFast`]): + The tokenizer used for encoding the data. + padding (`bool`, `str` or [`~utils.PaddingStrategy`], *optional*, defaults to `True`): + Select a strategy to pad the returned sequences (according to the model's padding side and padding index) + among: + - `True` or `'longest'` (default): Pad to the longest sequence in the batch (or no padding if only a single + sequence is provided). + - `'max_length'`: Pad to a maximum length specified with the argument `max_length` or to the maximum + acceptable input length for the model if that argument is not provided. + - `False` or `'do_not_pad'`: No padding (i.e., can output a batch with sequences of different lengths). + max_length (`int`, *optional*): + Maximum length of the returned list and optionally padding length (see above). + pad_to_multiple_of (`int`, *optional*): + If set will pad the sequence to a multiple of the provided value. + This is especially useful to enable the use of Tensor Cores on NVIDIA hardware with compute capability >= + 7.5 (Volta). + label_pad_token_id (`int`, *optional*, defaults to -100): + The id to use when padding the labels (-100 will be automatically ignore by PyTorch loss functions). + return_tensors (`str`): + The type of Tensor to return. Allowable values are "np", "pt" and "tf". + """ + + tokenizer: PreTrainedTokenizerBase + padding: Union[bool, str, PaddingStrategy] = True + max_length: Optional[int] = None + pad_to_multiple_of: Optional[int] = None + label_pad_token_id: int = -100 + return_tensors: str = "pt" + + def torch_call(self, features): + import torch + + label_name = "label" if "label" in features[0].keys() else "labels" + labels = [feature[label_name] for feature in features] if label_name in features[0].keys() else None + + no_labels_features = [{k: v for k, v in feature.items() if k != label_name} for feature in features] + + batch = self.tokenizer.pad( + no_labels_features, + padding=self.padding, + max_length=self.max_length, + pad_to_multiple_of=self.pad_to_multiple_of, + return_tensors="pt", + ) + + if labels is None: + return batch + + sequence_length = batch["input_ids"].shape[1] + padding_side = self.tokenizer.padding_side + + def to_list(tensor_or_iterable): + if isinstance(tensor_or_iterable, torch.Tensor): + return tensor_or_iterable.tolist() + return list(tensor_or_iterable) + + if padding_side == "right": + batch[label_name] = [ + to_list(label) + [self.label_pad_token_id] * (sequence_length - len(label)) for label in labels + + ] + else: + batch[label_name] = [ + [self.label_pad_token_id] * (sequence_length - len(label)) + to_list(label) for label in labels + ] + + batch[label_name] = torch.tensor(batch[label_name], dtype=torch.float) + return batch + +def _torch_collate_batch(examples, tokenizer, pad_to_multiple_of: Optional[int] = None): + """Collate `examples` into a batch, using the information in `tokenizer` for padding if necessary.""" + import torch + + # Tensorize if necessary. + if isinstance(examples[0], (list, tuple, np.ndarray)): + examples = [torch.tensor(e, dtype=torch.long) for e in examples] + + length_of_first = examples[0].size(0) + + # Check if padding is necessary. + + are_tensors_same_length = all(x.size(0) == length_of_first for x in examples) + if are_tensors_same_length and (pad_to_multiple_of is None or length_of_first % pad_to_multiple_of == 0): + return torch.stack(examples, dim=0) + + # If yes, check if we have a `pad_token`. + if tokenizer._pad_token is None: + raise ValueError( + "You are attempting to pad samples but the tokenizer you are using" + f" ({tokenizer.__class__.__name__}) does not have a pad token." + ) + + # Creating the full tensor and filling it with our data. + max_length = max(x.size(0) for x in examples) + if pad_to_multiple_of is not None and (max_length % pad_to_multiple_of != 0): + max_length = ((max_length // pad_to_multiple_of) + 1) * pad_to_multiple_of + result = examples[0].new_full([len(examples), max_length], tokenizer.pad_token_id) + for i, example in enumerate(examples): + if tokenizer.padding_side == "right": + result[i, : example.shape[0]] = example + else: + result[i, -example.shape[0] :] = example + return result + +def tolist(x): + if isinstance(x, list): + return x + elif hasattr(x, "numpy"): # Checks for TF tensors without needing the import + x = x.numpy() + return x.tolist() + +def do_topology_split(df, split_path): + import json + with open(split_path, 'r') as f: + splits = json.load(f) + + #split the dataframe according to the splits + train_df = df[df['name'].isin(splits['train'])] + valid_df = df[df['name'].isin(splits['validation'])] + test_df = df[df['name'].isin(splits['test'])] + return train_df, valid_df, test_df + +class FlexibilityProtTrans(nn.Module): + def __init__(self, checkpoint_path, num_labels, half_precision, gumbel_temperature, flex_loss_weight, **kwargs): + super(FlexibilityProtTrans, self).__init__() + # self.num_labels = num_labels #passed from the configs + # self.half_precision = half_precision #passed from the configs + model, tokenizer = self.load_finetuned_model(filepath=checkpoint_path, num_labels=num_labels, mixed = half_precision) + self.model = model + self.tokenizer = tokenizer + self.device = torch.device('cuda') + self.model.to(self.device) + self.model.eval() + self.gumbel_temperature = gumbel_temperature + self.flex_loss_weight = flex_loss_weight + self.logit_transform = nn.functional.gumbel_softmax #Use the Straight Through Gumbel SoftMax - in forward process it does argmax, + # in the backward process it approximates the gradient of argmax by the gradient of the Gumbel Softmax + # https://pytorch.org/docs/stable/generated/torch.nn.functional.gumbel_softmax.html set hard=True to do the Straight-Through trick + + + def load_finetuned_model(self, filepath, num_labels=1, mixed = False): + # load a new model + model, tokenizer = PT5_classification_model(num_labels=num_labels, half_precision=mixed) + + # Load the non-frozen parameters from the saved file + non_frozen_params = torch.load(filepath) + + # Assign the non-frozen parameters to the corresponding parameters of the model + for param_name, param in model.named_parameters(): + if param_name in non_frozen_params: + param.data = non_frozen_params[param_name].data + + ### Turn off all Bfactor prediction gradients + for param in model.parameters(): + param.requires_grad = False + + model_parameters = filter(lambda p: p.requires_grad, model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ProtT5_Classfier - After loading to IF pipeline\nTrainable Parameter: "+ str(params)) + + return model, tokenizer + + def translate_to_model_vocab(self, batch_one_hot): + #Translate the one-hot encoding to the model vocabulary + #The model vocabulary is the same as the one-hot encoding, so it is just a tensor multiplication + # pdb.set_trace() + # ptt = {'': 0, '': 1, '': 2, 'A': 3, 'L': 4, 'G': 5, 'V': 6, 'S': 7, 'R': 8, 'E': 9, 'D': 10, 'T': 11, 'I': 12, 'P': 13, 'K': 14, 'F': 15, 'Q': 16, 'N': 17, 'Y': 18, 'M': 19, 'H': 20, 'W': 21, 'C': 22, 'X': 23, 'B': 24, 'O': 25, 'U': 26, 'Z': 27} + # pmt = {'': 0, '': 1, '': 2, '': 3, 'L': 4, 'A': 5, 'G': 6, 'V': 7, 'S': 8, 'E': 9, 'R': 10, 'T': 11, 'I': 12, 'D': 13, 'P': 14, 'K': 15, 'Q': 16, 'N': 17, 'F': 18, 'Y': 19, 'M': 20, 'H': 21, 'W': 22, 'C': 23, 'X': 24, 'B': 25, 'U': 26, 'Z': 27, 'O': 28, '.': 29, '-': 30, '': 31, '': 32} + # reference_list = [] + # for k in pmt.keys(): + # if k in ptt.keys(): + # reference_list.append(ptt[k]) + # elif k == '': + # reference_list.append(1) + # else: + # reference_list.append(2) + # pdb.set_trace() + conversion_tensor = torch.tensor([2,0,1,2,4,3,5,6,7,9,8,11,12,10,13,14,16,17,15,18,19,20,21,22,23,24,26,27,25,2,2,2,2]).to(torch.device('cuda')) + # pdb.set_trace() + T5_translation = torch.einsum('j,ijk->ik', conversion_tensor.float(), batch_one_hot) + T5_translation = F.pad(T5_translation, pad=(0, 1), mode='constant', value=1) + #TODO: add the special tokens for the model, use batch['lengths'] to learn where to put it + return T5_translation + + def forward(self, batch): #batch example 32x33x395 (batch_size x ProteinMPNN vocab size x seq length) + batch_one_hot = self.logit_transform(batch, tau=self.gumbel_temperature, hard=True, dim=1) + batch_token_ids = self.translate_to_model_vocab(batch_one_hot) + inputs = batch_token_ids.to(self.device).int() + # pdb.set_trace() + # mask = batch['mask'].to(self.device) + outputs = self.model(inputs) #TODO?: pass the mask as well (take it from the batch, pad it for the end of sequence, convert to Tensor) + predicted_bfactors = outputs.logits + return {'predicted_normalized_bfactors':predicted_bfactors} + diff --git a/Flexpert-Design/src/models/structgnn_model.py b/Flexpert-Design/src/models/structgnn_model.py new file mode 100644 index 0000000000000000000000000000000000000000..3afbc205069c965abbb1042be2c7a438066dcca5 --- /dev/null +++ b/Flexpert-Design/src/models/structgnn_model.py @@ -0,0 +1,139 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F + +from src.modules.graphtrans_module import Struct2Seq, cat_neighbors_nodes, gather_nodes, ProteinFeatures + + +class StructGNN_Model(nn.Module): + def __init__(self, args): + super(StructGNN_Model, self).__init__() + self.args = args + self.device = 'cuda:0' + self.smoothing = args.smoothing + self.model = Struct2Seq( + vocab=args.vocab_size, + num_letters=args.vocab_size, + node_features=args.hidden, + edge_features=args.hidden, + hidden_dim=args.hidden, + k_neighbors=args.k_neighbors, + protein_features=args.features, + dropout=args.dropout, + use_mpnn=True) + + self.featurizer = ProteinFeatures( + args.hidden, args.hidden, top_k=args.k_neighbors, + features_type=args.features, + dropout=args.dropout + ) + + def _get_features(self, batch): + X, lengths, mask = batch['X'], batch['lengths'], batch['mask'] + V, E, E_idx = self.featurizer(X, lengths, mask) + batch.update({'V':V, + "E":E, + "E_idx":E_idx, + "mask": mask}) + return batch + + + def forward(self, batch): + """ Graph-conditioned sequence model """ + S, V, E, E_idx, mask = batch['S'], batch['V'], batch['E'], batch['E_idx'], batch['mask'] + + # Prepare node and edge embeddings + h_V = self.model.W_v(V) + h_E = self.model.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.model.encoder_layers: + h_EV = cat_neighbors_nodes(h_V, h_E, E_idx) + h_V = layer(h_V, h_EV, mask_V=mask, mask_attend=mask_attend) + + # Concatenate sequence embeddings for autoregressive decoder + h_S = self.model.W_s(S) + h_ES = cat_neighbors_nodes(h_S, h_E, E_idx) + + # Build encoder embeddings + h_ES_encoder = cat_neighbors_nodes(torch.zeros_like(h_S), h_E, E_idx) + h_ESV_encoder = cat_neighbors_nodes(h_V, h_ES_encoder, E_idx) + + # Decoder uses masked self-attention + mask_attend = self.model._autoregressive_mask(E_idx).unsqueeze(-1) + mask_1D = mask.view([mask.size(0), mask.size(1), 1, 1]) + mask_bw = mask_1D * mask_attend + + if self.model.forward_attention_decoder: + mask_fw = mask_1D * (1. - mask_attend) + h_ESV_encoder_fw = h_ESV_encoder + else: + h_ESV_encoder_fw = 0 + for layer in self.model.decoder_layers: + # Masked positions attend to encoder information, unmasked see. + h_ESV_dec = cat_neighbors_nodes(h_V, h_ES, E_idx) + h_ESV = mask_bw * h_ESV_dec + mask_fw*h_ESV_encoder_fw + h_V = layer(h_V, h_ESV, mask_V=mask) + + logits = self.model.W_out(h_V) + log_probs = F.log_softmax(logits, dim=-1) + return {'log_probs': log_probs} + + def sample(self, V, E, E_idx, mask, chain_mask=None, temperature=1.0): + """ Autoregressive decoding of a model """ + # Prepare node and edge embeddings + h_V = self.model.W_v(V) + h_E = self.model.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.model.encoder_layers: + h_EV = cat_neighbors_nodes(h_V, h_E, E_idx) + h_V = layer(h_V, h_EV, mask_V=mask, mask_attend=mask_attend) + + # Decoder alternates masked self-attention + mask_attend = self.model._autoregressive_mask(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 = V.size(0), V.size(1) + h_S = torch.zeros_like(h_V) + S = torch.zeros((N_batch, N_nodes), dtype=torch.int64, device = self.device) + h_V_stack = [h_V] + [torch.zeros_like(h_V) for _ in range(len(self.model.decoder_layers))] + all_probs = [] + for t in range(N_nodes): + # Hidden layers + E_idx_t = E_idx[:,t:t+1,:] + h_E_t = h_E[:,t:t+1,:,:] + # use cache + h_ES_enc_t = cat_neighbors_nodes(torch.zeros_like(h_S), h_E_t, E_idx_t) + h_ESV_encoder_t = mask_fw[:,t:t+1,:,:] * cat_neighbors_nodes(h_V, h_ES_enc_t, E_idx_t) + + for l, layer in enumerate(self.model.decoder_layers): + # Updated relational features for future states + h_ES_t = cat_neighbors_nodes(h_S, h_E_t, E_idx_t) + h_ESV_decoder_t = cat_neighbors_nodes(h_V_stack[l], h_ES_t, E_idx_t) # [batch, 1, K, 384] + h_ESV_t = mask_bw[:,t:t+1,:,:] * h_ESV_decoder_t + h_ESV_encoder_t # [batch, 1, K, 384] + + h_V_t = h_V_stack[l][:,t:t+1,:] # [batch, 1 128] + h_V_stack[l+1][:,t,:] = layer( + h_V_t, h_ESV_t, mask_V=mask[:,t:t+1] + ).squeeze(1) # [1, 128] + + # Sampling step + h_V_t = h_V_stack[-1][:,t,:] + logits = self.model.W_out(h_V_t) / temperature + probs = F.softmax(logits, dim=-1) + S_t = torch.multinomial(probs, 1).squeeze(-1) + + all_probs.append(probs) + + # Update + h_S[:,t,:] = self.model.W_s(S_t) + S[:,t] = S_t + + self.probs = torch.cat(all_probs, dim=0) + return S \ No newline at end of file diff --git a/Flexpert-Design/src/modules/E3PiFold.py b/Flexpert-Design/src/modules/E3PiFold.py new file mode 100644 index 0000000000000000000000000000000000000000..3f0704a1080caeda19ca85ad4163053910d4e4ef --- /dev/null +++ b/Flexpert-Design/src/modules/E3PiFold.py @@ -0,0 +1,466 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F +from typing import Optional +from torch import Tensor +from omegaconf import OmegaConf + +class NonLinearHead(nn.Module): + """Head for simple classification tasks.""" + + def __init__( + self, + input_dim, + out_dim, + hidden=None, + ): + super().__init__() + hidden = input_dim if not hidden else hidden + self.linear1 = nn.Linear(input_dim, hidden) + self.linear2 = nn.Linear(hidden, out_dim) + self.activation_fn = F.gelu + + def forward(self, x): + x = self.linear1(x) + x = self.activation_fn(x) + x = self.linear2(x) + return x + +class GaussianLayer(nn.Module): + def __init__(self, num_distance=25, K=16, edge_dim=1024): + super().__init__() + self.K = K + self.means = nn.Embedding(1, num_distance*self.K) # 16 * 25 = 400, it's the total number of kernels + self.stds = nn.Embedding(1, num_distance*self.K) + self.mul = nn.Linear(edge_dim, num_distance) + self.bias = nn.Linear(edge_dim, num_distance) + nn.init.uniform_(self.means.weight, 0, 3) + nn.init.uniform_(self.stds.weight, 0, 3) + nn.init.constant_(self.bias.weight, 0) + nn.init.constant_(self.mul.weight, 1) + + def forward(self, x, edge_feat): + mul = self.mul(edge_feat).type_as(x) + bias = self.bias(edge_feat).type_as(x) + + # x = mul * x.unsqueeze(-1) + bias # [B, N, N, 25, 1] + x = mul * x + bias # [B, N, N, 25] + x = x.unsqueeze(-1) # [B, N, N, 25, 1] + x = x.expand(-1, -1, -1, -1, self.K) # [B, N, N, 25, K] + x = x.reshape(x.shape[0], x.shape[1], x.shape[2], -1) # [B, N, N, 25*K] + mean = self.means.weight.float().view(-1) + std = self.stds.weight.float().view(-1).abs() + 1e-5 + return gaussian(x.float(), mean, std).type_as(self.means.weight) + +class GaussianEncoder(nn.Module): + def __init__(self, kernel_num, feat_dim, num_head, use_dist=1, use_product=1): + super().__init__() + self.num_distance = 0 + self.use_dist = use_dist + self.use_product = use_product + if use_dist: + self.num_distance += 1 + + if use_product: + self.num_distance += 1 + + self.gbf = GaussianLayer(self.num_distance, kernel_num, feat_dim) + self.node_gate = nn.Linear(feat_dim, 1) + + self.gbf_proj = NonLinearHead( + input_dim=kernel_num*self.num_distance, + out_dim=num_head, + hidden=128, + ) + self.centrality_proj = NonLinearHead( + input_dim=kernel_num*self.num_distance, + out_dim=feat_dim, + hidden=1024, + ) + + def get_encoding_features(self, dist, et, pair_mask=None, get_bias=True): + n_node = dist.size(-2) + gbf_feature = self.gbf(dist, et) + + if pair_mask is not None: + centrality_encoding = gbf_feature * pair_mask.unsqueeze(-1) + else: + centrality_encoding = gbf_feature # [B, N, N, 25*K] + centrality_encoding = self.centrality_proj(centrality_encoding.sum(dim=-2)) # [B, N, encoder_embed_dim] + + graph_attn_bias = self.gbf_proj(gbf_feature) # [B, N, N, num_head] + if get_bias: + graph_attn_bias = graph_attn_bias.permute(0, 3, 1, 2).contiguous() # [B, num_head, N, N] + graph_attn_bias = graph_attn_bias.view(-1, n_node, n_node) # [B*num_head, N, N] + return graph_attn_bias, centrality_encoding + + + def build_pairwise_product_dist(self, coords, node_feat): + dist = _get_dist(coords,coords) + coords = coords * self.node_gate(node_feat) + pretext = coords[:,:,None]+coords[:,None,:] + A = torch.einsum('bijd,bjd->bij', pretext, coords) + B = torch.einsum('bid,bjd->bij', coords, coords) + product = A*B + product, dist = product[...,None], dist[...,None] + geo_feat = torch.empty_like(product)[...,0:0] + if self.use_dist: + geo_feat = torch.cat([geo_feat, dist], dim=-1) + + if self.use_product: + geo_feat = torch.cat([geo_feat, product], dim=-1) + return geo_feat + + def forward(self, coords, node_feat, pair_mask=None, get_bias=True): + geo_feat = self.build_pairwise_product_dist(coords, node_feat) + edge_feat = node_feat[:,:,None,:]-node_feat[:,None,:,:] + graph_attn_bias, centrality_encoding = self.get_encoding_features(geo_feat, edge_feat, pair_mask=pair_mask, get_bias=get_bias) + x = centrality_encoding + return x, graph_attn_bias + +class SelfMultiheadAttention(nn.Module): + def __init__( + self, + embed_dim, + num_heads, + dropout=0.1, + bias=True, + scaling_factor=1, + ): + super().__init__() + self.embed_dim = embed_dim + + self.num_heads = num_heads + self.dropout = dropout + + self.head_dim = embed_dim // num_heads + assert ( + self.head_dim * num_heads == self.embed_dim + ), "embed_dim must be divisible by num_heads" + self.scaling = (self.head_dim * scaling_factor) ** -0.5 + + self.in_proj = nn.Linear(embed_dim, embed_dim * 3, bias=bias) + self.out_proj = nn.Linear(embed_dim, embed_dim, bias=bias) + + def forward( + self, + query, + key_padding_mask: Optional[Tensor] = None, + attn_bias: Optional[Tensor] = None, + return_attn: bool = False, + ) -> Tensor: + + bsz, tgt_len, embed_dim = query.size() + assert embed_dim == self.embed_dim + + q, k, v = self.in_proj(query).chunk(3, dim=-1) + + q = ( + q.view(bsz, tgt_len, self.num_heads, self.head_dim) + .transpose(1, 2) + .contiguous() + .view(bsz * self.num_heads, -1, self.head_dim) + * self.scaling + ) + if k is not None: + k = ( + k.view(bsz, -1, self.num_heads, self.head_dim) + .transpose(1, 2) + .contiguous() + .view(bsz * self.num_heads, -1, self.head_dim) + ) + if v is not None: + v = ( + v.view(bsz, -1, self.num_heads, self.head_dim) + .transpose(1, 2) + .contiguous() + .view(bsz * self.num_heads, -1, self.head_dim) + ) + + assert k is not None + src_len = k.size(1) + + # This is part of a workaround to get around fork/join parallelism + # not supporting Optional types. + if key_padding_mask is not None and key_padding_mask.dim() == 0: + key_padding_mask = None + + if key_padding_mask is not None: + assert key_padding_mask.size(0) == bsz + assert key_padding_mask.size(1) == src_len + + attn_weights = torch.bmm(q, k.transpose(1, 2)) + + assert list(attn_weights.size()) == [bsz * self.num_heads, tgt_len, src_len] + + if key_padding_mask is not None: + # don't attend to padding symbols + attn_weights = attn_weights.view(bsz, self.num_heads, tgt_len, src_len) + attn_weights.masked_fill_( + key_padding_mask.unsqueeze(1).unsqueeze(2).to(torch.bool), float("-inf") + ) + attn_weights = attn_weights.view(bsz * self.num_heads, tgt_len, src_len) + + if not return_attn: + attn = F.dropout(F.softmax(attn_weights, dim=-1), p=self.dropout, training=self.training) + else: + attn_weights += attn_bias + attn = F.dropout(F.softmax(attn_weights, dim=-1), p=self.dropout, training=self.training) + # pdb.set_trace() + o = torch.bmm(attn, v) + assert list(o.size()) == [bsz * self.num_heads, tgt_len, self.head_dim] + + o = ( + o.view(bsz, self.num_heads, tgt_len, self.head_dim) + .transpose(1, 2) + .contiguous() + .view(bsz, tgt_len, embed_dim) + ) + o = self.out_proj(o) + if not return_attn: + return o + else: + return o, attn_weights, attn + +class TransformerEncoderLayer(nn.Module): + """ + Implements a Transformer Encoder Layer used in BERT/XLM style pre-trained + models. + """ + + def __init__( + self, + embed_dim: int = 768, + ffn_embed_dim: int = 3072, + attention_heads: int = 8, + dropout: float = 0.1, + attention_dropout: float = 0.1, + activation_dropout: float = 0.0, + activation_fn: str = "gelu", + post_ln = False, + # edge_attn_hidden_dim = 8, + # edge_attn_heads = 4, + ) -> None: + super().__init__() + + # Initialize parameters + self.embed_dim = embed_dim + self.attention_heads = attention_heads + self.attention_dropout = attention_dropout + + self.dropout = dropout + self.activation_dropout = activation_dropout + self.activation_fn = F.gelu + # self.edge_attn_hidden_dim = edge_attn_hidden_dim + # self.edge_attn_heads = edge_attn_heads + + self.self_attn = SelfMultiheadAttention( + self.embed_dim, + self.attention_heads, + dropout=attention_dropout, + ) + + # layer norm associated with the self attention layer + self.self_attn_layer_norm = nn.LayerNorm(self.embed_dim) + self.fc1 = nn.Linear(self.embed_dim, ffn_embed_dim) + self.fc2 = nn.Linear(ffn_embed_dim, self.embed_dim) + self.final_layer_norm = nn.LayerNorm(self.embed_dim) + self.post_ln = post_ln + + + def forward( + self, + x: torch.Tensor, + attn_bias: Optional[torch.Tensor] = None, + padding_mask: Optional[torch.Tensor] = None, + pair_mask: Optional[torch.Tensor] = None, + return_attn: bool=False, + ) -> torch.Tensor: + """ + LayerNorm is applied either before or after the self-attention/ffn + modules similar to the original Transformer implementation. + """ + residual = x + if not self.post_ln: + x = self.self_attn_layer_norm(x) + # new added + x = self.self_attn( + query=x, + key_padding_mask=padding_mask, + attn_bias=attn_bias, + return_attn=return_attn, + ) + if return_attn: + x, attn_weights, attn_probs = x + # edge_repr = attn_weights + # edge_repr[edge_repr == float("-inf")] = 0 + # edge_repr = edge_repr.view(x.shape[0], -1, x.shape[1], x.shape[1]).permute(0, 2, 3, 1).contiguous() + # edge_repr_update = self.edge_attn(edge_repr, pair_mask) + # edge_repr_update = edge_repr_update.permute(0, 3, 1, 2).contiguous() + # edge_repr_update = edge_repr_update.view(-1, x.shape[1], x.shape[1]) # [bsz*num_heads, tgt_len, src_len] + # attn_weights = attn_weights + edge_repr_update # residual connection and keep padding mask + + x = F.dropout(x, p=self.dropout, training=self.training) + x = residual + x + if self.post_ln: + x = self.self_attn_layer_norm(x) + + residual = x + if not self.post_ln: + x = self.final_layer_norm(x) + x = self.fc1(x) + x = self.activation_fn(x) + x = F.dropout(x, p=self.activation_dropout, training=self.training) + x = self.fc2(x) + x = F.dropout(x, p=self.dropout, training=self.training) + x = residual + x + if self.post_ln: + x = self.final_layer_norm(x) + if not return_attn: + return x + else: + return x, attn_weights, attn_probs + +class TransformerEncoderWithPair(nn.Module): + def __init__( + self, + encoder_layers: int = 6, + embed_dim: int = 768, + ffn_embed_dim: int = 3072, + attention_heads: int = 8, + emb_dropout: float = 0.1, + dropout: float = 0.1, + attention_dropout: float = 0.1, + activation_dropout: float = 0.0, + max_seq_len: int = 256, + activation_fn: str = "gelu", + post_ln: bool = False, + no_final_head_layer_norm: bool = False, + ) -> None: + + super().__init__() + self.emb_dropout = emb_dropout + self.max_seq_len = max_seq_len + self.embed_dim = embed_dim + self.attention_heads = attention_heads + self.emb_layer_norm = nn.LayerNorm(self.embed_dim) + if not post_ln: + self.final_layer_norm = nn.LayerNorm(self.embed_dim) + else: + self.final_layer_norm = None + + if not no_final_head_layer_norm: + self.final_head_layer_norm = nn.LayerNorm(attention_heads) + else: + self.final_head_layer_norm = None + + self.layers = nn.ModuleList( + [ + TransformerEncoderLayer( + embed_dim=self.embed_dim, + ffn_embed_dim=ffn_embed_dim, + attention_heads=attention_heads, + dropout=dropout, + attention_dropout=attention_dropout, + activation_dropout=activation_dropout, + activation_fn=activation_fn, + post_ln=post_ln, + ) + for _ in range(encoder_layers) + ] + ) + + def forward( + self, + emb: torch.Tensor, + attn_mask: Optional[torch.Tensor] = None, + padding_mask: Optional[torch.Tensor] = None, + pair_mask: Optional[torch.Tensor] = None, + ) -> torch.Tensor: + + bsz = emb.size(0) + seq_len = emb.size(1) + x = self.emb_layer_norm(emb) + x = F.dropout(x, p=self.emb_dropout, training=self.training) + + # account for padding while computing the representation + if padding_mask is not None: + x = x * (1 - padding_mask.unsqueeze(-1).type_as(x)) + input_attn_mask = attn_mask + input_padding_mask = padding_mask + + def fill_attn_mask(attn_mask, padding_mask, fill_val=float("-inf")): + if attn_mask is not None and padding_mask is not None: + # merge key_padding_mask and attn_mask + attn_mask = attn_mask.view(x.size(0), -1, seq_len, seq_len) + attn_mask.masked_fill_( + padding_mask.unsqueeze(1).unsqueeze(2).to(torch.bool), + fill_val, + ) + attn_mask = attn_mask.view(-1, seq_len, seq_len) + padding_mask = None + return attn_mask, padding_mask + + assert attn_mask is not None + attn_mask, padding_mask = fill_attn_mask(attn_mask, padding_mask) + + for i in range(len(self.layers)): + x, attn_mask, _ = self.layers[i]( + x, padding_mask=padding_mask, attn_bias=attn_mask, return_attn=True + ) + + def norm_loss(x, eps=1e-10, tolerance=1.0): + x = x.float() + max_norm = x.shape[-1] ** 0.5 + norm = torch.sqrt(torch.sum(x**2, dim=-1) + eps) + error = torch.nn.functional.relu((norm - max_norm).abs() - tolerance) + return error + + def masked_mean(mask, value, dim=-1, eps=1e-10): + return ( + torch.sum(mask * value, dim=dim) / (eps + torch.sum(mask, dim=dim)) + ).mean() + + x_norm = norm_loss(x) + if input_padding_mask is not None: + token_mask = 1.0 - input_padding_mask.float() + else: + token_mask = torch.ones_like(x_norm, device=x_norm.device) + x_norm = masked_mean(token_mask, x_norm) + + if self.final_layer_norm is not None: + x = self.final_layer_norm(x) + + delta_pair_repr = attn_mask - input_attn_mask + delta_pair_repr, _ = fill_attn_mask(delta_pair_repr, input_padding_mask, 0) + attn_mask = ( + attn_mask.view(bsz, -1, seq_len, seq_len).permute(0, 2, 3, 1).contiguous() + ) + delta_pair_repr = ( + delta_pair_repr.view(bsz, -1, seq_len, seq_len) + .permute(0, 2, 3, 1) + .contiguous() + ) + + pair_mask = token_mask[..., None] * token_mask[..., None, :] + delta_pair_repr_norm = norm_loss(delta_pair_repr) + delta_pair_repr_norm = masked_mean( + pair_mask, delta_pair_repr_norm, dim=(-1, -2) + ) + + if self.final_head_layer_norm is not None: + delta_pair_repr = self.final_head_layer_norm(delta_pair_repr) + + return x, attn_mask, delta_pair_repr, x_norm, delta_pair_repr_norm + +def gaussian(x, mean, std): + pi = 3.14159 + a = (2 * pi) ** 0.5 + return torch.exp(-0.5 * (((x - mean) / std) ** 2)) / (a * std) + +def _get_dist(A, B): + D_A_B = torch.sqrt(torch.sum((A[..., None,:] - B[...,None,:,:])**2,-1) + 1e-6) #[B, L, L] + return D_A_B + + + diff --git a/Flexpert-Design/src/modules/__init__.py b/Flexpert-Design/src/modules/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..b5331257633a6d849858477c81fb931d833d4b38 --- /dev/null +++ b/Flexpert-Design/src/modules/__init__.py @@ -0,0 +1,9 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +# from .alphadesign_module import * +# from .esmif_module import * +# from .gca_module import * +from .graphtrans_module import * +# from .gvp_module import * +# from .pifold_module import * +from .proteinmpnn_module import * diff --git a/Flexpert-Design/src/modules/alphadesign_module.py b/Flexpert-Design/src/modules/alphadesign_module.py new file mode 100644 index 0000000000000000000000000000000000000000..35569edaaedb65e87f5625d531e26ddd63c03caf --- /dev/null +++ b/Flexpert-Design/src/modules/alphadesign_module.py @@ -0,0 +1,340 @@ +import math +import numpy as np + +import torch +import torch.nn as nn +import torch.nn.functional as F +# from torch_scatter import scatter_sum, scatter_softmax +from torch_geometric.utils import scatter# scatter_sum, scatter_softmax +from src.tools import gather_nodes + + +def get_attend_mask(idx, mask): + mask_attend = gather_nodes(mask.unsqueeze(-1), idx).squeeze(-1) # 一阶邻居节点的mask: 1代表节点存在, 0代表节点不存在 + mask_attend = mask.unsqueeze(-1) * mask_attend # 自身的mask*邻居节点的mask + return mask_attend + +class QKV(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, edge_drop=0.0): + super(QKV, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.edge_drop = edge_drop + + self.W_Q = nn.Linear(num_hidden, num_hidden, bias=False) + self.W_K = nn.Linear(num_in, num_hidden, bias=False) + self.W_V = nn.Linear(num_in, num_hidden, bias=False) + self.Bias = nn.Sequential( + nn.Linear(num_hidden*3, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_heads) + ) + self.W_O = nn.Linear(num_hidden, num_hidden, bias=False) + + def forward(self, h_V, h_E, center_id, batch_id): + N = h_V.shape[0] + E = h_E.shape[0] + n_heads = self.num_heads + d = int(self.num_hidden / n_heads) + + Q = self.W_Q(h_V).view(N, n_heads, 1, d)[center_id] + K = self.W_K(h_E).view(E, n_heads, d, 1) + attend_logits = torch.matmul(Q, K).view(E, n_heads, 1) + attend_logits = attend_logits / np.sqrt(d) + + V = self.W_V(h_E).view(-1, n_heads, d) + attend = scatter.scatter_softmax(attend_logits, index=center_id, dim=0) + h_V = scatter.scatter_sum(attend*V, center_id, dim=0).view([N, self.num_hidden]) + + h_V_update = self.W_O(h_V) + return h_V_update + + +class NeighborAttention(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, edge_drop=0.0): + super(NeighborAttention, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.edge_drop = edge_drop + + self.W_Q = nn.Linear(num_hidden, num_hidden, bias=False) + self.W_K = nn.Linear(num_in, num_hidden, bias=False) + self.W_V = nn.Linear(num_in, num_hidden, bias=False) + self.Bias = nn.Sequential( + nn.Linear(num_hidden*3, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_heads) + ) + self.W_O = nn.Linear(num_hidden, num_hidden, bias=False) + + def forward(self, h_V, h_E, center_id, batch_id): + N = h_V.shape[0] + E = h_E.shape[0] + n_heads = self.num_heads + d = int(self.num_hidden / n_heads) + + w = self.Bias(torch.cat([h_V[center_id], h_E],dim=-1)).view(E, n_heads, 1) + attend_logits = w/np.sqrt(d) + + V = self.W_V(h_E).view(-1, n_heads, d) + attend = scatter.scatter_softmax(attend_logits, index=center_id, dim=0) + h_V = scatter.scatter_sum(attend*V, center_id, dim=0).view([N, self.num_hidden]) + + h_V_update = self.W_O(h_V) + return h_V_update + +class GNNModule(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, dropout=0, use_SGT=False): + super(GNNModule, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.num_in = num_in + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([nn.BatchNorm1d(num_hidden) for _ in range(2)]) + if use_SGT: + self.attention = NeighborAttention(num_hidden, num_in, num_heads, edge_drop=0.0) # TODO: edge_drop + else: + self.attention = QKV(num_hidden, num_in, num_heads, edge_drop=0.0) + self.dense = nn.Sequential( + nn.Linear(num_hidden, num_hidden*4), + nn.ReLU(), + nn.Linear(num_hidden*4, num_hidden) + ) + + def forward(self, h_V, h_E, edge_idx, batch_id): + center_id = edge_idx[0] + dh = self.attention(h_V, h_E, center_id, batch_id) + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + return h_V + +class StructureEncoder(nn.Module): + def __init__(self, hidden_dim, num_encoder_layers=3, dropout=0, use_SGT=False): + """ Graph labeling network """ + super(StructureEncoder, self).__init__() + self.encoder_layers = nn.ModuleList([]) + for _ in range(num_encoder_layers): + self.encoder_layers.append(nn.ModuleList([ + # Local_Module(hidden_dim, hidden_dim*2, is_attention=is_attention, dropout=dropout), + GNNModule(hidden_dim, hidden_dim*2, dropout=dropout, use_SGT=use_SGT), + GNNModule(hidden_dim, hidden_dim*2, dropout=dropout, use_SGT=use_SGT) + ])) + + def forward(self, h_V, h_P, P_idx, batch_id): + h_V = h_V + # graph encoder + for (layer1, layer2) in self.encoder_layers: + h_EV_local = torch.cat([h_P, h_V[P_idx[1]]], dim=1) + h_V = layer1(h_V, h_EV_local, P_idx, batch_id) + + h_EV_global = torch.cat([h_P, h_V[P_idx[1]]], dim=1) + h_V = h_V + layer2(h_V, h_EV_global, P_idx, batch_id) + return h_V + +def positionalencoding1d(d_model, length): + """ + :param d_model: dimension of the model + :param length: length of positions + :return: length*d_model position matrix + """ + if d_model % 2 != 0: + raise ValueError("Cannot use sin/cos positional encoding with " + "odd dim (got dim={:d})".format(d_model)) + pe = torch.zeros(length, d_model) + position = torch.arange(0, length).unsqueeze(1) + div_term = torch.exp((torch.arange(0, d_model, 2, dtype=torch.float) * + -(math.log(10000.0) / d_model))) + pe[:, 0::2] = torch.sin(position.float() * div_term) + pe[:, 1::2] = torch.cos(position.float() * div_term) + + return pe + +class CNNDecoder(nn.Module): + def __init__(self,hidden_dim, input_dim, vocab=33): + super().__init__() + self.CNN = nn.Sequential(nn.Conv1d(input_dim, hidden_dim,5, padding=2), + nn.BatchNorm1d(hidden_dim), + nn.ReLU(), + nn.Conv1d(hidden_dim, hidden_dim,5, padding=2), + nn.BatchNorm1d(hidden_dim), + nn.ReLU(), + nn.Conv1d(hidden_dim, hidden_dim,5, padding=2)) + + self.readout = nn.Linear(hidden_dim, vocab) + + def forward(self, h_V, batch_id): + h_V = h_V.unsqueeze(0).permute(0,2,1) + hidden = self.CNN(h_V).permute(0,2,1).squeeze() + logits = self.readout( hidden ) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs, logits + +class CNNDecoder2(nn.Module): + def __init__(self,hidden_dim, input_dim, vocab=33): + super().__init__() + self.ConfNN = nn.Embedding(50, hidden_dim) + + self.CNN = nn.Sequential(nn.Conv1d(hidden_dim+input_dim, hidden_dim,5, padding=2), + nn.BatchNorm1d(hidden_dim), + nn.ReLU(), + nn.Conv1d(hidden_dim, hidden_dim,5, padding=2), + nn.BatchNorm1d(hidden_dim), + nn.ReLU(), + nn.Conv1d(hidden_dim, hidden_dim,5, padding=2)) + + self.readout = nn.Linear(hidden_dim, vocab) + + def forward(self, h_V, logits, batch_id): + eps = 1e-5 + L = h_V.shape[0] + idx = torch.argsort(-logits, dim=1) + Conf = logits[range(L), idx[:,0]] / (logits[range(L), idx[:,1]] + eps) + Conf = Conf.long() + Conf = torch.clamp(Conf, 0, 49) + h_C = self.ConfNN(Conf) + + # pos = self.PosEnc(pos) + h_V = torch.cat([h_V,h_C],dim=-1) + h_V = h_V.unsqueeze(0).permute(0,2,1) + hidden = self.CNN(h_V).permute(0,2,1).squeeze() + logits = self.readout( hidden ) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs, logits + + +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) + + def forward(self, h_V): + h = F.relu(self.W_in(h_V)) + h = self.W_out(h) + return h + +from .graphtrans_module import Normalize +class Local_Module(nn.Module): + def __init__(self, num_hidden, num_in, is_attention, dropout=0.1, scale=30): + super(Local_Module, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.is_attention = is_attention + self.scale = scale + self.dropout = nn.Dropout(0) + self.norm = nn.ModuleList([Normalize(num_hidden) for _ in range(2)]) + self.W = nn.Sequential(*[ + nn.Linear(num_hidden + num_in, num_hidden), + nn.LeakyReLU(inplace=True), + nn.Linear(num_hidden, num_hidden), + nn.LeakyReLU(inplace=True), + nn.Linear(num_hidden, num_hidden) + ]) + self.A = nn.Parameter(torch.empty(size=(num_hidden + num_in, 1))) + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, edge_idx): + message = torch.cat( [h_V[edge_idx[0]], h_E], dim=1 ) + h_message = self.W(message) # [17790, 128] + # Attention + if self.is_attention == 1: + att = F.sigmoid(F.leaky_relu(torch.matmul(message, self.A))).exp() + att = att / scatter.scatter_sum(att, edge_idx[0], dim=0)[edge_idx[0]] + h_message = h_message * att # [4, 312, 30, 128] + + # message aggragation + dh = scatter.scatter_sum(h_message, edge_idx[0], dim=0) / self.scale + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + return h_V + +class MLPDecoder(nn.Module): + def __init__(self, hidden_dim, input_dim, num_layers=3, kernel_size=5, act_type='relu', glu=0, vocab=33): + super().__init__() + self.readout = nn.Linear(hidden_dim, vocab) + + def forward(self, h_V, batch_id=None): + logits = self.readout(h_V) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs, logits + +class ATDecoder(nn.Module): + def __init__(self, args, hidden_dim, dropout=0.1, vocab=33): + super().__init__() + self.hidden_dim = hidden_dim + self.vocab = vocab + self.W_s = nn.Embedding(vocab, hidden_dim) + self.UpdateE = nn.Linear(hidden_dim*2, hidden_dim) + + self.decoder = nn.ModuleList([]) + for _ in range(args.AT_layer_num): + self.decoder.append( + Local_Module(hidden_dim, hidden_dim*3, is_attention=1, dropout=dropout) + ) + self.readout = MLPDecoder(hidden_dim, hidden_dim, args.num_decoder_layers1, args.kernel_size1, args.act_type, args.glu) + + def forward(self, S, h_V, h_P, P_idx, batch_id, mask_bw=None, mask_fw=None): + h_S = self.W_s(S) + h_PS = torch.cat((h_P, h_S[P_idx[1]]), dim=1) + h_PSV_enc = torch.cat((h_P, torch.zeros_like(h_S[P_idx[1]]), h_V[P_idx[1]]), dim=1) + known_mask = (P_idx[0]>P_idx[1]).unsqueeze(-1) + for dec_layer in self.decoder: + h_PSV_dec = torch.cat((h_PS, h_V[P_idx[1]]), dim=1) + h_PSV = h_PSV_dec*known_mask + h_PSV_enc*(~known_mask) + + # 仅当dst node的mask为1时使用h_PSV_dec, 否则使用h_PSV_enc + # h_PSV = h_PSV_dec*mask_bw[P_idx[1]].view(-1,1) + h_PSV_enc*mask_fw[P_idx[1]].view(-1,1) + h_V = dec_layer(h_V, h_PSV , P_idx) + log_probs, logits = self.readout(h_V) + return log_probs + + def sampling(self, h_V, h_P, P_idx, batch_id, temperature=0.1, mask_bw=None, mask_fw=None, decoding_order=None): + device = h_V.device + L = h_V.shape[0] + + # cache + S = torch.zeros( L, device=device, dtype=torch.int) + energy = torch.zeros( L, device=device) + h_S = torch.zeros( L, self.hidden_dim, device=device) + h_PSV_enc = torch.cat((h_P, torch.zeros_like(h_S[P_idx[1]]), h_V[P_idx[1]]), dim=1) + h_V_stack = [h_V] + [torch.zeros_like(h_V) for _ in range(len(self.decoder))] + log_probs = torch.zeros( L, self.vocab, device=device) + + known = torch.zeros_like(P_idx[0])==1 + for t in range(L): + edge_mask = P_idx[0] % L == t # 批量预测第t个氨基酸 + h_V_t = h_V[t:t+1,:] + P_idx_t = P_idx[:, edge_mask] + h_PS = torch.cat((h_P, h_S[P_idx[1]]), dim=1) + h_PS_t = h_PS[edge_mask] + h_PSV_enc_t = h_PSV_enc[edge_mask] + known_mask = (P_idx_t[0]>P_idx_t[1]).unsqueeze(-1) + + for l, dec_layer in enumerate(self.decoder): + h_PSV_t_dec = torch.cat((h_PS_t, + h_V_stack[l][P_idx_t[1]]), + dim=1) + h_PSV_t = h_PSV_t_dec*known_mask + h_PSV_enc_t*(~known_mask) + h_V_t = h_V_stack[l][t:t+1,:] + edge_index_t_local = torch.zeros_like(P_idx_t) + edge_index_t_local[1,:] = torch.arange(0, P_idx_t.shape[1], device=h_V.device) + h_V_t = dec_layer(h_V_t, h_PSV_t , edge_index_t_local) + + h_V_stack[l+1][t] = h_V_t + + h_V_t = h_V_stack[-1][t] + log_probs_t, logits_t = self.readout(h_V_t) + log_probs[t] = log_probs_t + probs = F.softmax(logits_t/temperature, dim=-1) + S_t = torch.multinomial(probs, 1).squeeze(-1) + h_S[t::L] = self.W_s(S_t) + S[t::L] = S_t + known[t] = True + + return log_probs \ No newline at end of file diff --git a/Flexpert-Design/src/modules/esmif_module.py b/Flexpert-Design/src/modules/esmif_module.py new file mode 100644 index 0000000000000000000000000000000000000000..6523e9e6d1a68db6fbff6c6c0ebce5785faa725b --- /dev/null +++ b/Flexpert-Design/src/modules/esmif_module.py @@ -0,0 +1,2420 @@ +import math +import numpy as np + +import torch +import torch.nn as nn +import torch.nn.functional as F +from torch_geometric.nn import MessagePassing +# from torch_scatter import scatter_add +from torch_geometric.utils import scatter + +from .gvp_module import _norm_no_nan, _split, tuple_cat, _merge, tuple_sum, tuple_index + + +class SinusoidalPositionalEmbedding(nn.Module): + def __init__(self, embed_dim, padding_idx, learned=False): + super().__init__() + self.embed_dim = embed_dim + self.padding_idx = padding_idx + self.register_buffer("_float_tensor", torch.FloatTensor(1)) + self.weights = None + + def forward(self, x): + bsz, seq_len = x.shape + max_pos = self.padding_idx + 1 + seq_len + if self.weights is None or max_pos > self.weights.size(0): + self.weights = self.get_embedding(max_pos) + self.weights = self.weights.type_as(self._float_tensor) + + positions = self.make_positions(x) + return self.weights.index_select(0, positions.view(-1)).view(bsz, seq_len, -1).detach() + + def make_positions(self, x): + mask = x.ne(self.padding_idx) + range_buf = torch.arange(x.size(1), device=x.device).expand_as(x) + self.padding_idx + 1 + positions = range_buf.expand_as(x) + return positions * mask.long() + self.padding_idx * (1 - mask.long()) + + def get_embedding(self, num_embeddings): + half_dim = self.embed_dim // 2 + emb = math.log(10000) / (half_dim - 1) + emb = torch.exp(torch.arange(half_dim, dtype=torch.float) * -emb) + emb = torch.arange(num_embeddings, dtype=torch.float).unsqueeze(1) * emb.unsqueeze(0) + emb = torch.cat([torch.sin(emb), torch.cos(emb)], dim=1).view(num_embeddings, -1) + if self.embed_dim % 2 == 1: + # zero pad + emb = torch.cat([emb, torch.zeros(num_embeddings, 1)], dim=1) + if self.padding_idx is not None: + emb[self.padding_idx, :] = 0 + return emb + +class Normalize(nn.Module): + def __init__(self, features, epsilon=1e-6): + super(Normalize, self).__init__() + self.gain = nn.Parameter(torch.ones(features)) + self.bias = nn.Parameter(torch.zeros(features)) + self.epsilon = epsilon + + def forward(self, x, dim=-1): + mu = x.mean(dim, keepdim=True) + sigma = torch.sqrt(x.var(dim, keepdim=True) + self.epsilon) + gain = self.gain + bias = self.bias + # Reshape + if dim != -1: + shape = [1] * len(mu.size()) + shape[dim] = self.gain.size()[0] + gain = gain.view(shape) + bias = bias.view(shape) + return gain * (x - mu) / (sigma + self.epsilon) + bias + +class DihedralFeatures(nn.Module): + def __init__(self, node_embed_dim): + """ Embed dihedral angle features. """ + super(DihedralFeatures, self).__init__() + # 3 dihedral angles; sin and cos of each angle + node_in = 6 + # Normalization and embedding + self.node_embedding = nn.Linear(node_in, node_embed_dim, bias=True) + self.norm_nodes = Normalize(node_embed_dim) + + def forward(self, X): + """ Featurize coordinates as an attributed graph """ + V = self._dihedrals(X) + V = self.node_embedding(V) + V = self.norm_nodes(V) + return V + + @staticmethod + def _dihedrals(X, eps=1e-7, return_angles=False): + # First 3 coordinates are N, CA, C + X = X[:,:,:3,:].reshape(X.shape[0], 3*X.shape[1], 3) + + # Shifted slices of unit vectors + dX = X[:,1:,:] - X[:,:-1,:] + U = F.normalize(dX, dim=-1) + u_2 = U[:,:-2,:] + u_1 = U[:,1:-1,:] + u_0 = U[:,2:,:] + # Backbone normals + n_2 = F.normalize(torch.cross(u_2, u_1, dim=-1), dim=-1) + n_1 = F.normalize(torch.cross(u_1, u_0, dim=-1), dim=-1) + + # Angle between normals + cosD = (n_2 * n_1).sum(-1) + cosD = torch.clamp(cosD, -1+eps, 1-eps) + D = torch.sign((u_2 * n_1).sum(-1)) * torch.acos(cosD) + + # This scheme will remove phi[0], psi[-1], omega[-1] + D = F.pad(D, (1,2), 'constant', 0) + D = D.view((D.size(0), int(D.size(1)/3), 3)) + phi, psi, omega = torch.unbind(D,-1) + + if return_angles: + return phi, psi, omega + + # Lift angle representations to the circle + D_features = torch.cat((torch.cos(D), torch.sin(D)), 2) + return D_features + + +class GVP(nn.Module): + ''' + Geometric Vector Perceptron. See manuscript and README.md + for more details. + + :param in_dims: tuple (n_scalar, n_vector) + :param out_dims: tuple (n_scalar, n_vector) + :param h_dim: intermediate number of vector channels, optional + :param activations: tuple of functions (scalar_act, vector_act) + :param tuple_io: whether to keep accepting tuple inputs and outputs when vi + or vo = 0 + ''' + def __init__(self, in_dims, out_dims, h_dim=None, vector_gate=False, + activations=(F.relu, torch.sigmoid), tuple_io=True, + eps=1e-8): + super(GVP, self).__init__() + self.si, self.vi = in_dims + self.so, self.vo = out_dims + self.tuple_io = tuple_io + if self.vi: + self.h_dim = h_dim or max(self.vi, self.vo) + self.wh = nn.Linear(self.vi, self.h_dim, bias=False) + self.ws = nn.Linear(self.h_dim + self.si, self.so) + if self.vo: + self.wv = nn.Linear(self.h_dim, self.vo, bias=False) + if vector_gate: + self.wg = nn.Linear(self.so, self.vo) + else: + self.ws = nn.Linear(self.si, self.so) + + self.vector_gate = vector_gate + self.scalar_act, self.vector_act = activations + self.eps = eps + + def forward(self, x): + ''' + :param x: tuple (s, V) of `torch.Tensor`, + or (if vectors_in is 0), a single `torch.Tensor` + :return: tuple (s, V) of `torch.Tensor`, + or (if vectors_out is 0), a single `torch.Tensor` + ''' + if self.vi: + s, v = x + v = torch.transpose(v, -1, -2) + vh = self.wh(v) + vn = _norm_no_nan(vh, axis=-2, eps=self.eps) + s = self.ws(torch.cat([s, vn], -1)) + if self.scalar_act: + s = self.scalar_act(s) + if self.vo: + v = self.wv(vh) + v = torch.transpose(v, -1, -2) + if self.vector_gate: + g = self.wg(s).unsqueeze(-1) + else: + g = _norm_no_nan(v, axis=-1, keepdims=True, eps=self.eps) + if self.vector_act: + g = self.vector_act(g) + v = v * g + else: + if self.tuple_io: + assert x[1] is None + x = x[0] + s = self.ws(x) + if self.scalar_act: + s = self.scalar_act(s) + if self.vo: + v = torch.zeros(list(s.shape)[:-1] + [self.vo, 3], + device=s.device) + + if self.vo: + return (s, v) + elif self.tuple_io: + return (s, None) + else: + return s + +class GVPConv(MessagePassing): + ''' + Graph convolution / message passing with Geometric Vector Perceptrons. + Takes in a graph with node and edge embeddings, + and returns new node embeddings. + + This does NOT do residual updates and pointwise feedforward layers + ---see `GVPConvLayer`. + + :param in_dims: input node embedding dimensions (n_scalar, n_vector) + :param out_dims: output node embedding dimensions (n_scalar, n_vector) + :param edge_dims: input edge embedding dimensions (n_scalar, n_vector) + :param n_layers: number of GVPs in the message function + :param module_list: preconstructed message function, overrides n_layers + :param aggr: should be "add" if some incoming edges are masked, as in + a masked autoregressive decoder architecture + ''' + def __init__(self, in_dims, out_dims, edge_dims, n_layers=3, + vector_gate=False, module_list=None, aggr="mean", eps=1e-8, + activations=(F.relu, torch.sigmoid)): + super(GVPConv, self).__init__(aggr=aggr) + self.eps = eps + self.si, self.vi = in_dims + self.so, self.vo = out_dims + self.se, self.ve = edge_dims + + module_list = module_list or [] + if not module_list: + if n_layers == 1: + module_list.append( + GVP((2*self.si + self.se, 2*self.vi + self.ve), + (self.so, self.vo), activations=(None, None))) + else: + module_list.append( + GVP((2*self.si + self.se, 2*self.vi + self.ve), out_dims, + vector_gate=vector_gate, activations=activations) + ) + for i in range(n_layers - 2): + module_list.append(GVP(out_dims, out_dims, + vector_gate=vector_gate)) + module_list.append(GVP(out_dims, out_dims, + activations=(None, None))) + self.message_func = nn.Sequential(*module_list) + + def forward(self, x, edge_index, edge_attr): + ''' + :param x: tuple (s, V) of `torch.Tensor` + :param edge_index: array of shape [2, n_edges] + :param edge_attr: tuple (s, V) of `torch.Tensor` + ''' + x_s, x_v = x + message = self.propagate(edge_index, + s=x_s, v=x_v.reshape(x_v.shape[0], 3*x_v.shape[1]), + edge_attr=edge_attr) + return _split(message, self.vo) + + def message(self, s_i, v_i, s_j, v_j, edge_attr): + v_j = v_j.view(v_j.shape[0], v_j.shape[1]//3, 3) + v_i = v_i.view(v_i.shape[0], v_i.shape[1]//3, 3) + message = tuple_cat((s_j, v_j), edge_attr, (s_i, v_i)) + message = self.message_func(message) + return _merge(*message) + +class LayerNorm(nn.Module): + ''' + Combined LayerNorm for tuples (s, V). + Takes tuples (s, V) as input and as output. + ''' + def __init__(self, dims, tuple_io=True, eps=1e-8): + super(LayerNorm, self).__init__() + self.tuple_io = tuple_io + self.s, self.v = dims + self.scalar_norm = nn.LayerNorm(self.s) + self.eps = eps + + def forward(self, x): + ''' + :param x: tuple (s, V) of `torch.Tensor`, + or single `torch.Tensor` + (will be assumed to be scalar channels) + ''' + if not self.v: + if self.tuple_io: + return self.scalar_norm(x[0]), None + return self.scalar_norm(x) + s, v = x + vn = _norm_no_nan(v, axis=-1, keepdims=True, sqrt=False, eps=self.eps) + nonzero_mask = (vn > 2 * self.eps) + vn = torch.sum(vn * nonzero_mask, dim=-2, keepdim=True + ) / (self.eps + torch.sum(nonzero_mask, dim=-2, keepdim=True)) + vn = torch.sqrt(vn + self.eps) + v = nonzero_mask * (v / vn) + return self.scalar_norm(s), v + +class _VDropout(nn.Module): + ''' + Vector channel dropout where the elements of each + vector channel are dropped together. + ''' + def __init__(self, drop_rate): + super(_VDropout, self).__init__() + self.drop_rate = drop_rate + + def forward(self, x): + ''' + :param x: `torch.Tensor` corresponding to vector channels + ''' + if x is None: + return None + device = x.device + if not self.training: + return x + mask = torch.bernoulli( + (1 - self.drop_rate) * torch.ones(x.shape[:-1], device=device) + ).unsqueeze(-1) + x = mask * x / (1 - self.drop_rate) + return x + +class Dropout(nn.Module): + ''' + Combined dropout for tuples (s, V). + Takes tuples (s, V) as input and as output. + ''' + def __init__(self, drop_rate): + super(Dropout, self).__init__() + self.sdropout = nn.Dropout(drop_rate) + self.vdropout = _VDropout(drop_rate) + + def forward(self, x): + ''' + :param x: tuple (s, V) of `torch.Tensor`, + or single `torch.Tensor` + (will be assumed to be scalar channels) + ''' + if type(x) is torch.Tensor: + return self.sdropout(x) + s, v = x + return self.sdropout(s), self.vdropout(v) + +class GVPConvLayer(nn.Module): + ''' + Full graph convolution / message passing layer with + Geometric Vector Perceptrons. Residually updates node embeddings with + aggregated incoming messages, applies a pointwise feedforward + network to node embeddings, and returns updated node embeddings. + + To only compute the aggregated messages, see `GVPConv`. + + :param node_dims: node embedding dimensions (n_scalar, n_vector) + :param edge_dims: input edge embedding dimensions (n_scalar, n_vector) + :param n_message: number of GVPs to use in message function + :param n_feedforward: number of GVPs to use in feedforward function + :param drop_rate: drop probability in all dropout layers + :param autoregressive: if `True`, this `GVPConvLayer` will be used + with a different set of input node embeddings for messages + where src >= dst + ''' + def __init__(self, node_dims, edge_dims, vector_gate=False, + n_message=3, n_feedforward=2, drop_rate=.1, + autoregressive=False, attention_heads=0, + conv_activations=(F.relu, torch.sigmoid), + n_edge_gvps=0, layernorm=True, eps=1e-8): + + super(GVPConvLayer, self).__init__() + if attention_heads == 0: + self.conv = GVPConv( + node_dims, node_dims, edge_dims, n_layers=n_message, + vector_gate=vector_gate, + aggr="add" if autoregressive else "mean", + activations=conv_activations, + eps=eps, + ) + else: + raise NotImplementedError + if layernorm: + self.norm = nn.ModuleList([LayerNorm(node_dims, eps=eps) for _ in range(2)]) + else: + self.norm = nn.ModuleList([nn.Identity() for _ in range(2)]) + self.dropout = nn.ModuleList([Dropout(drop_rate) for _ in range(2)]) + + ff_func = [] + if n_feedforward == 1: + ff_func.append(GVP(node_dims, node_dims, activations=(None, None))) + else: + hid_dims = 4*node_dims[0], 2*node_dims[1] + ff_func.append(GVP(node_dims, hid_dims, vector_gate=vector_gate)) + for i in range(n_feedforward-2): + ff_func.append(GVP(hid_dims, hid_dims, vector_gate=vector_gate)) + ff_func.append(GVP(hid_dims, node_dims, activations=(None, None))) + self.ff_func = nn.Sequential(*ff_func) + + self.edge_message_func = None + if n_edge_gvps > 0: + si, vi = node_dims + se, ve = edge_dims + module_list = [ + GVP((2*si + se, 2*vi + ve), edge_dims, vector_gate=vector_gate) + ] + for i in range(n_edge_gvps - 2): + module_list.append(GVP(edge_dims, edge_dims, + vector_gate=vector_gate)) + if n_edge_gvps > 1: + module_list.append(GVP(edge_dims, edge_dims, + activations=(None, None))) + self.edge_message_func = nn.Sequential(*module_list) + if layernorm: + self.edge_norm = LayerNorm(edge_dims, eps=eps) + else: + self.edge_norm = nn.Identity() + self.edge_dropout = Dropout(drop_rate) + + def forward(self, x, edge_index, edge_attr, + autoregressive_x=None, node_mask=None): + ''' + :param x: tuple (s, V) of `torch.Tensor` + :param edge_index: array of shape [2, n_edges] + :param edge_attr: tuple (s, V) of `torch.Tensor` + :param autoregressive_x: tuple (s, V) of `torch.Tensor`. + If not `None`, will be used as srcqq node embeddings + for forming messages where src >= dst. The corrent node + embeddings `x` will still be the base of the update and the + pointwise feedforward. + :param node_mask: array of type `bool` to index into the first + dim of node embeddings (s, V). If not `None`, only + these nodes will be updated. + ''' + if self.edge_message_func: + src, dst = edge_index + if autoregressive_x is None: + x_src = x[0][src], x[1][src] + else: + mask = (src < dst).unsqueeze(-1) + x_src = ( + torch.where(mask, x[0][src], autoregressive_x[0][src]), + torch.where(mask.unsqueeze(-1), x[1][src], + autoregressive_x[1][src]) + ) + x_dst = x[0][dst], x[1][dst] + x_edge = ( + torch.cat([x_src[0], edge_attr[0], x_dst[0]], dim=-1), + torch.cat([x_src[1], edge_attr[1], x_dst[1]], dim=-2) + ) + edge_attr_dh = self.edge_message_func(x_edge) + edge_attr = self.edge_norm(tuple_sum(edge_attr, + self.edge_dropout(edge_attr_dh))) + + if autoregressive_x is not None: + src, dst = edge_index + mask = src < dst + edge_index_forward = edge_index[:, mask] + edge_index_backward = edge_index[:, ~mask] + edge_attr_forward = tuple_index(edge_attr, mask) + edge_attr_backward = tuple_index(edge_attr, ~mask) + + dh = tuple_sum( + self.conv(x, edge_index_forward, edge_attr_forward), + self.conv(autoregressive_x, edge_index_backward, edge_attr_backward) + ) + + count = scatter.scatter_add(torch.ones_like(dst), dst, + dim_size=dh[0].size(0)).clamp(min=1).unsqueeze(-1) + + dh = dh[0] / count, dh[1] / count.unsqueeze(-1) + + else: + dh = self.conv(x, edge_index, edge_attr) + + if node_mask is not None: + x_ = x + x, dh = tuple_index(x, node_mask), tuple_index(dh, node_mask) + + x = self.norm[0](tuple_sum(x, self.dropout[0](dh))) + + dh = self.ff_func(x) + x = self.norm[1](tuple_sum(x, self.dropout[1](dh))) + + if node_mask is not None: + x_[0][node_mask], x_[1][node_mask] = x[0], x[1] + x = x_ + + return x, edge_attr + + +def unflatten_graph(node_embeddings, batch_size): + """ + Unflattens node embeddings. + Args: + node_embeddings: node embeddings in tuple form (scalar, vector) + - scalar: shape batch total_nodes x node_embed_dim + - vector: shape batch total_nodes x node_embed_dim x 3 + batch_size: int + Returns: + node_embeddings: node embeddings in tuple form (scalar, vector) + - scalar: shape batch size x nodes x node_embed_dim + - vector: shape batch size x nodes x node_embed_dim x 3 + """ + x_s, x_v = node_embeddings + x_s = x_s.reshape(batch_size, -1, x_s.shape[1]) + x_v = x_v.reshape(batch_size, -1, x_v.shape[1], x_v.shape[2]) + return (x_s, x_v) + +def nan_to_num(ts, val=0.0): + """ + Replaces nans in tensor with a fixed value. + """ + val = torch.tensor(val, dtype=ts.dtype, device=ts.device) + return torch.where(~torch.isfinite(ts), val, ts) + + +def rbf(values, v_min, v_max, n_bins=16): + """ + Returns RBF encodings in a new dimension at the end. + """ + rbf_centers = torch.linspace(v_min, v_max, n_bins, device=values.device) + rbf_centers = rbf_centers.view([1] * len(values.shape) + [-1]) + rbf_std = (v_max - v_min) / n_bins + v_expand = torch.unsqueeze(values, -1) + z = (values.unsqueeze(-1) - rbf_centers) / rbf_std + return torch.exp(-z ** 2) + + +def norm(tensor, dim, eps=1e-8, keepdim=False): + """ + Returns L2 norm along a dimension. + """ + return torch.sqrt( + torch.sum(torch.square(tensor), dim=dim, keepdim=keepdim) + eps) + +def normalize(tensor, dim=-1): + """ + Normalizes a tensor along a dimension after removing nans. + """ + return nan_to_num( + torch.div(tensor, norm(tensor, dim=dim, keepdim=True)) + ) + +def rotate(v, R): + """ + Rotates a vector by a rotation matrix. + + Args: + v: 3D vector, tensor of shape (length x batch_size x channels x 3) + R: rotation matrix, tensor of shape (length x batch_size x 3 x 3) + + Returns: + Rotated version of v by rotation matrix R. + """ + R = R.unsqueeze(-3) + v = v.unsqueeze(-1) + return torch.sum(v * R, dim=-2) + +def get_rotation_frames(coords): + """ + Returns a local rotation frame defined by N, CA, C positions. + + Args: + coords: coordinates, tensor of shape (batch_size x length x 3 x 3) + where the third dimension is in order of N, CA, C + + Returns: + Local relative rotation frames in shape (batch_size x length x 3 x 3) + """ + v1 = coords[:, :, 2] - coords[:, :, 1] + v2 = coords[:, :, 0] - coords[:, :, 1] + e1 = normalize(v1, dim=-1) + u2 = v2 - e1 * torch.sum(e1 * v2, dim=-1, keepdim=True) + e2 = normalize(u2, dim=-1) + e3 = torch.cross(e1, e2, dim=-1) + R = torch.stack([e1, e2, e3], dim=-2) + return R + +def fill_with_neg_inf(t): + """FP16-compatible function that fills a tensor with -inf.""" + return t.float().fill_(float("-inf")).type_as(t) + +class GVPInputFeaturizer(nn.Module): + + @staticmethod + def get_node_features(coords, coord_mask, with_coord_mask=True): + # scalar features + node_scalar_features = GVPInputFeaturizer._dihedrals(coords) + if with_coord_mask: + node_scalar_features = torch.cat([ + node_scalar_features, + coord_mask.float().unsqueeze(-1) + ], dim=-1) + # vector features + X_ca = coords[:, :, 1] + orientations = GVPInputFeaturizer._orientations(X_ca) + sidechains = GVPInputFeaturizer._sidechains(coords) + node_vector_features = torch.cat([orientations, sidechains.unsqueeze(-2)], dim=-2) + return node_scalar_features, node_vector_features + + @staticmethod + def _orientations(X): + forward = normalize(X[:, 1:] - X[:, :-1]) + backward = normalize(X[:, :-1] - X[:, 1:]) + forward = F.pad(forward, [0, 0, 0, 1]) + backward = F.pad(backward, [0, 0, 1, 0]) + return torch.cat([forward.unsqueeze(-2), backward.unsqueeze(-2)], -2) + + @staticmethod + def _sidechains(X): + n, origin, c = X[:, :, 0], X[:, :, 1], X[:, :, 2] + c, n = normalize(c - origin), normalize(n - origin) + bisector = normalize(c + n) + perp = normalize(torch.cross(c, n, dim=-1)) + vec = -bisector * math.sqrt(1 / 3) - perp * math.sqrt(2 / 3) + return vec + + @staticmethod + def _dihedrals(X, eps=1e-7): + X = torch.flatten(X[:, :, :3], 1, 2) + bsz = X.shape[0] + dX = X[:, 1:] - X[:, :-1] + U = normalize(dX, dim=-1) + u_2 = U[:, :-2] + u_1 = U[:, 1:-1] + u_0 = U[:, 2:] + + # Backbone normals + n_2 = normalize(torch.cross(u_2, u_1, dim=-1), dim=-1) + n_1 = normalize(torch.cross(u_1, u_0, dim=-1), dim=-1) + + # Angle between normals + cosD = torch.sum(n_2 * n_1, -1) + cosD = torch.clamp(cosD, -1 + eps, 1 - eps) + D = torch.sign(torch.sum(u_2 * n_1, -1)) * torch.acos(cosD) + + # This scheme will remove phi[0], psi[-1], omega[-1] + D = F.pad(D, [1, 2]) + D = torch.reshape(D, [bsz, -1, 3]) + # Lift angle representations to the circle + D_features = torch.cat([torch.cos(D), torch.sin(D)], -1) + return D_features + + @staticmethod + def _positional_embeddings(edge_index, + num_embeddings=None, + num_positional_embeddings=16, + period_range=[2, 1000]): + # From https://github.com/jingraham/neurips19-graph-protein-design + num_embeddings = num_embeddings or num_positional_embeddings + d = edge_index[0] - edge_index[1] + + frequency = torch.exp( + torch.arange(0, num_embeddings, 2, dtype=torch.float32, + device=edge_index.device) + * -(np.log(10000.0) / num_embeddings) + ) + angles = d.unsqueeze(-1) * frequency + E = torch.cat((torch.cos(angles), torch.sin(angles)), -1) + return E + + @staticmethod + def _dist(X, coord_mask, padding_mask, top_k_neighbors, eps=1e-8): + """ Pairwise euclidean distances """ + bsz, maxlen = X.size(0), X.size(1) + coord_mask_2D = torch.unsqueeze(coord_mask,1) * torch.unsqueeze(coord_mask,2) + residue_mask = ~padding_mask + residue_mask_2D = torch.unsqueeze(residue_mask,1) * torch.unsqueeze(residue_mask,2) + dX = torch.unsqueeze(X,1) - torch.unsqueeze(X,2) + D = coord_mask_2D * norm(dX, dim=-1) + + # sorting preference: first those with coords, then among the residues that + # exist but are masked use distance in sequence as tie breaker, and then the + # residues that came from padding are last + seqpos = torch.arange(maxlen, device=X.device) + Dseq = torch.abs(seqpos.unsqueeze(1) - seqpos.unsqueeze(0)).repeat(bsz, 1, 1) + D_adjust = nan_to_num(D) + (~coord_mask_2D) * (1e8 + Dseq*1e6) + ( + ~residue_mask_2D) * (1e10) + + if top_k_neighbors == -1: + D_neighbors = D_adjust + E_idx = seqpos.repeat( + *D_neighbors.shape[:-1], 1) + else: + # Identify k nearest neighbors (including self) + k = min(top_k_neighbors, X.size(1)) + D_neighbors, E_idx = torch.topk(D_adjust, k, dim=-1, largest=False) + + coord_mask_neighbors = (D_neighbors < 5e7) + residue_mask_neighbors = (D_neighbors < 5e9) + return D_neighbors, E_idx, coord_mask_neighbors, residue_mask_neighbors + +def flatten_graph(node_embeddings, edge_embeddings, edge_index): + """ + Flattens the graph into a batch size one (with disconnected subgraphs for + each example) to be compatible with pytorch-geometric package. + Args: + node_embeddings: node embeddings in tuple form (scalar, vector) + - scalar: shape batch size x nodes x node_embed_dim + - vector: shape batch size x nodes x node_embed_dim x 3 + edge_embeddings: edge embeddings of in tuple form (scalar, vector) + - scalar: shape batch size x edges x edge_embed_dim + - vector: shape batch size x edges x edge_embed_dim x 3 + edge_index: shape batch_size x 2 (source node and target node) x edges + Returns: + node_embeddings: node embeddings in tuple form (scalar, vector) + - scalar: shape batch total_nodes x node_embed_dim + - vector: shape batch total_nodes x node_embed_dim x 3 + edge_embeddings: edge embeddings of in tuple form (scalar, vector) + - scalar: shape batch total_edges x edge_embed_dim + - vector: shape batch total_edges x edge_embed_dim x 3 + edge_index: shape 2 x total_edges + """ + x_s, x_v = node_embeddings + e_s, e_v = edge_embeddings + batch_size, N = x_s.shape[0], x_s.shape[1] + node_embeddings = (torch.flatten(x_s, 0, 1), torch.flatten(x_v, 0, 1)) + edge_embeddings = (torch.flatten(e_s, 0, 1), torch.flatten(e_v, 0, 1)) + + edge_mask = torch.any(edge_index != -1, dim=1) + # Re-number the nodes by adding batch_idx * N to each batch + edge_index = edge_index + (torch.arange(batch_size, device=edge_index.device) * + N).unsqueeze(-1).unsqueeze(-1) + edge_index = edge_index.permute(1, 0, 2).flatten(1, 2) + edge_mask = edge_mask.flatten() + edge_index = edge_index[:, edge_mask] + edge_embeddings = ( + edge_embeddings[0][edge_mask, :], + edge_embeddings[1][edge_mask, :] + ) + return node_embeddings, edge_embeddings, edge_index + + +def unflatten_graph(node_embeddings, batch_size): + """ + Unflattens node embeddings. + Args: + node_embeddings: node embeddings in tuple form (scalar, vector) + - scalar: shape batch total_nodes x node_embed_dim + - vector: shape batch total_nodes x node_embed_dim x 3 + batch_size: int + Returns: + node_embeddings: node embeddings in tuple form (scalar, vector) + - scalar: shape batch size x nodes x node_embed_dim + - vector: shape batch size x nodes x node_embed_dim x 3 + """ + x_s, x_v = node_embeddings + x_s = x_s.reshape(batch_size, -1, x_s.shape[1]) + x_v = x_v.reshape(batch_size, -1, x_v.shape[1], x_v.shape[2]) + return (x_s, x_v) + +class GVPGraphEmbedding(GVPInputFeaturizer): + + def __init__(self, args): + super().__init__() + self.top_k_neighbors = args.top_k_neighbors + self.num_positional_embeddings = 16 + self.remove_edges_without_coords = True + node_input_dim = (7, 3) + edge_input_dim = (34, 1) + node_hidden_dim = (args.node_hidden_dim_scalar, + args.node_hidden_dim_vector) + edge_hidden_dim = (args.edge_hidden_dim_scalar, + args.edge_hidden_dim_vector) + self.embed_node = nn.Sequential( + GVP(node_input_dim, node_hidden_dim, activations=(None, None)), + LayerNorm(node_hidden_dim, eps=1e-4) + ) + self.embed_edge = nn.Sequential( + GVP(edge_input_dim, edge_hidden_dim, activations=(None, None)), + LayerNorm(edge_hidden_dim, eps=1e-4) + ) + self.embed_confidence = nn.Linear(16, args.node_hidden_dim_scalar) + + def forward(self, coords, coord_mask, padding_mask, confidence): + with torch.no_grad(): + node_features = self.get_node_features(coords, coord_mask) + edge_features, edge_index = self.get_edge_features( + coords, coord_mask, padding_mask) + node_embeddings_scalar, node_embeddings_vector = self.embed_node(node_features) + edge_embeddings = self.embed_edge(edge_features) + + rbf_rep = rbf(confidence, 0., 1.) + node_embeddings = ( + node_embeddings_scalar + self.embed_confidence(rbf_rep), + node_embeddings_vector + ) + + node_embeddings, edge_embeddings, edge_index = flatten_graph( + node_embeddings, edge_embeddings, edge_index) + return node_embeddings, edge_embeddings, edge_index + + def get_edge_features(self, coords, coord_mask, padding_mask): + X_ca = coords[:, :, 1] + # Get distances to the top k neighbors + E_dist, E_idx, E_coord_mask, E_residue_mask = GVPInputFeaturizer._dist( + X_ca, coord_mask, padding_mask, self.top_k_neighbors) + # Flatten the graph to be batch size 1 for torch_geometric package + dest = E_idx + B, L, k = E_idx.shape[:3] + src = torch.arange(L, device=E_idx.device).view([1, L, 1]).expand(B, L, k) + # After flattening, [2, B, E] + edge_index = torch.stack([src, dest], dim=0).flatten(2, 3) + # After flattening, [B, E] + E_dist = E_dist.flatten(1, 2) + E_coord_mask = E_coord_mask.flatten(1, 2).unsqueeze(-1) + E_residue_mask = E_residue_mask.flatten(1, 2) + # Calculate relative positional embeddings and distance RBF + pos_embeddings = GVPInputFeaturizer._positional_embeddings( + edge_index, + num_positional_embeddings=self.num_positional_embeddings, + ) + D_rbf = rbf(E_dist, 0., 20.) + # Calculate relative orientation + X_src = X_ca.unsqueeze(2).expand(-1, -1, k, -1).flatten(1, 2) + X_dest = torch.gather( + X_ca, + 1, + edge_index[1, :, :].unsqueeze(-1).expand([B, L*k, 3]) + ) + coord_mask_src = coord_mask.unsqueeze(2).expand(-1, -1, k).flatten(1, 2) + coord_mask_dest = torch.gather( + coord_mask, + 1, + edge_index[1, :, :].expand([B, L*k]) + ) + E_vectors = X_src - X_dest + # For the ones without coordinates, substitute in the average vector + E_vector_mean = torch.sum(E_vectors * E_coord_mask, dim=1, + keepdims=True) / torch.sum(E_coord_mask, dim=1, keepdims=True) + E_vectors = E_vectors * E_coord_mask + E_vector_mean * ~(E_coord_mask) + # Normalize and remove nans + edge_s = torch.cat([D_rbf, pos_embeddings], dim=-1) + edge_v = normalize(E_vectors).unsqueeze(-2) + edge_s, edge_v = map(nan_to_num, (edge_s, edge_v)) + # Also add indications of whether the coordinates are present + edge_s = torch.cat([ + edge_s, + (~coord_mask_src).float().unsqueeze(-1), + (~coord_mask_dest).float().unsqueeze(-1), + ], dim=-1) + edge_index[:, ~E_residue_mask] = -1 + if self.remove_edges_without_coords: + edge_index[:, ~E_coord_mask.squeeze(-1)] = -1 + return (edge_s, edge_v), edge_index.transpose(0, 1) + +class GVPEncoder(nn.Module): + + def __init__(self, args): + super().__init__() + self.args = args + self.embed_graph = GVPGraphEmbedding(args) + + node_hidden_dim = (args.node_hidden_dim_scalar, + args.node_hidden_dim_vector) + edge_hidden_dim = (args.edge_hidden_dim_scalar, + args.edge_hidden_dim_vector) + + conv_activations = (F.relu, torch.sigmoid) + self.encoder_layers = nn.ModuleList( + GVPConvLayer( + node_hidden_dim, + edge_hidden_dim, + drop_rate=args.dropout, + vector_gate=True, + attention_heads=0, + n_message=3, + conv_activations=conv_activations, + n_edge_gvps=0, + eps=1e-4, + layernorm=True, + ) + for i in range(args.num_encoder_layers) + ) + + def forward(self, coords, coord_mask, padding_mask, confidence): + node_embeddings, edge_embeddings, edge_index = self.embed_graph( + coords, coord_mask, padding_mask, confidence) + + for i, layer in enumerate(self.encoder_layers): + node_embeddings, edge_embeddings = layer(node_embeddings, + edge_index, edge_embeddings) + + node_embeddings = unflatten_graph(node_embeddings, coords.shape[0]) + return node_embeddings + + +from collections import OrderedDict +from torch._C import _disabled_torch_function_impl +class Parameter(torch.Tensor): + r"""A kind of Tensor that is to be considered a module parameter. + + Parameters are :class:`~torch.Tensor` subclasses, that have a + very special property when used with :class:`Module` s - when they're + assigned as Module attributes they are automatically added to the list of + its parameters, and will appear e.g. in :meth:`~Module.parameters` iterator. + Assigning a Tensor doesn't have such effect. This is because one might + want to cache some temporary state, like last hidden state of the RNN, in + the model. If there was no such class as :class:`Parameter`, these + temporaries would get registered too. + + Args: + data (Tensor): parameter tensor. + requires_grad (bool, optional): if the parameter requires gradient. See + :ref:`locally-disable-grad-doc` for more details. Default: `True` + """ + def __new__(cls, data=None, requires_grad=True): + if data is None: + data = torch.tensor([]) + return torch.Tensor._make_subclass(cls, data, requires_grad) + + def __deepcopy__(self, memo): + if id(self) in memo: + return memo[id(self)] + else: + result = type(self)(self.data.clone(memory_format=torch.preserve_format), self.requires_grad) + memo[id(self)] = result + return result + + def __repr__(self): + return 'Parameter containing:\n' + super(Parameter, self).__repr__() + + def __reduce_ex__(self, proto): + # See Note [Don't serialize hooks] + return ( + torch._utils._rebuild_parameter, + (self.data, self.requires_grad, OrderedDict()) + ) + + __torch_function__ = _disabled_torch_function_impl + +from typing import Tuple + +def rotate_half(x): + x1, x2 = x.chunk(2, dim=-1) + return torch.cat((-x2, x1), dim=-1) + +def apply_rotary_pos_emb(x, cos, sin): + cos = cos[:, : x.shape[-2], :] + sin = sin[:, : x.shape[-2], :] + + return (x * cos) + (rotate_half(x) * sin) + +class RotaryEmbedding(torch.nn.Module): + """ + The rotary position embeddings from RoFormer_ (Su et. al). + A crucial insight from the method is that the query and keys are + transformed by rotation matrices which depend on the relative positions. + Other implementations are available in the Rotary Transformer repo_ and in + GPT-NeoX_, GPT-NeoX was an inspiration + .. _RoFormer: https://arxiv.org/abs/2104.09864 + .. _repo: https://github.com/ZhuiyiTechnology/roformer + .. _GPT-NeoX: https://github.com/EleutherAI/gpt-neox + .. warning: Please note that this embedding is not registered on purpose, as it is transformative + (it does not create the embedding dimension) and will likely be picked up (imported) on a ad-hoc basis + """ + + def __init__(self, dim: int, *_, **__): + super().__init__() + # Generate and save the inverse frequency buffer (non trainable) + inv_freq = 1.0 / (10000 ** (torch.arange(0, dim, 2).float() / dim)) + self.register_buffer("inv_freq", inv_freq) + + self._seq_len_cached = None + self._cos_cached = None + self._sin_cached = None + + def _update_cos_sin_tables(self, x, seq_dimension=1): + seq_len = x.shape[seq_dimension] + + # Reset the tables if the sequence length has changed, + # or if we're on a new device (possibly due to tracing for instance) + if seq_len != self._seq_len_cached or self._cos_cached.device != x.device: + self._seq_len_cached = seq_len + t = torch.arange(x.shape[seq_dimension], device=x.device).type_as(self.inv_freq) + freqs = torch.einsum("i,j->ij", t, self.inv_freq) + emb = torch.cat((freqs, freqs), dim=-1).to(x.device) + + self._cos_cached = emb.cos()[None, :, :] + self._sin_cached = emb.sin()[None, :, :] + + return self._cos_cached, self._sin_cached + + def forward(self, q: torch.Tensor, k: torch.Tensor) -> Tuple[torch.Tensor, torch.Tensor]: + self._cos_cached, self._sin_cached = self._update_cos_sin_tables(k, seq_dimension=-2) + + return ( + apply_rotary_pos_emb(q, self._cos_cached, self._sin_cached), + apply_rotary_pos_emb(k, self._cos_cached, self._sin_cached), + ) + +def utils_softmax(x, dim: int, onnx_trace: bool = False): + if onnx_trace: + return F.softmax(x.float(), dim=dim) + else: + return F.softmax(x, dim=dim, dtype=torch.float32) + +from typing import Dict, Optional, Tuple, List, Sequence +from torch import Tensor, nn +import uuid +class FairseqIncrementalState(object): + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) + self.init_incremental_state() + + def init_incremental_state(self): + self._incremental_state_id = str(uuid.uuid4()) + + def _get_full_incremental_state_key(self, key: str) -> str: + return "{}.{}".format(self._incremental_state_id, key) + + def get_incremental_state( + self, + incremental_state: Optional[Dict[str, Dict[str, Optional[Tensor]]]], + key: str, + ) -> Optional[Dict[str, Optional[Tensor]]]: + """Helper for getting incremental state for an nn.Module.""" + full_key = self._get_full_incremental_state_key(key) + if incremental_state is None or full_key not in incremental_state: + return None + return incremental_state[full_key] + + def set_incremental_state( + self, + incremental_state: Optional[Dict[str, Dict[str, Optional[Tensor]]]], + key: str, + value: Dict[str, Optional[Tensor]], + ) -> Optional[Dict[str, Dict[str, Optional[Tensor]]]]: + """Helper for setting incremental state for an nn.Module.""" + if incremental_state is not None: + full_key = self._get_full_incremental_state_key(key) + incremental_state[full_key] = value + return incremental_state + +def with_incremental_state(cls): + cls.__bases__ = (FairseqIncrementalState,) + tuple( + b for b in cls.__bases__ if b != FairseqIncrementalState + ) + return cls + + +@with_incremental_state +class MultiheadAttention(nn.Module): + """Multi-headed attention. + + See "Attention Is All You Need" for more details. + """ + + def __init__( + self, + embed_dim, + num_heads, + kdim=None, + vdim=None, + dropout=0.0, + bias=True, + add_bias_kv: bool = False, + add_zero_attn: bool = False, + self_attention: bool = False, + encoder_decoder_attention: bool = False, + use_rotary_embeddings: bool = False, + ): + super().__init__() + self.embed_dim = embed_dim + self.kdim = kdim if kdim is not None else embed_dim + self.vdim = vdim if vdim is not None else embed_dim + self.qkv_same_dim = self.kdim == embed_dim and self.vdim == embed_dim + + self.num_heads = num_heads + self.dropout = dropout + self.head_dim = embed_dim // num_heads + assert ( + self.head_dim * num_heads == self.embed_dim + ), "embed_dim must be divisible by num_heads" + self.scaling = self.head_dim**-0.5 + + self.self_attention = self_attention + self.encoder_decoder_attention = encoder_decoder_attention + + assert not self.self_attention or self.qkv_same_dim, ( + "Self-attention requires query, key and " "value to be of the same size" + ) + + self.k_proj = nn.Linear(self.kdim, embed_dim, bias=bias) + self.v_proj = nn.Linear(self.vdim, embed_dim, bias=bias) + self.q_proj = nn.Linear(embed_dim, embed_dim, bias=bias) + + self.out_proj = nn.Linear(embed_dim, embed_dim, bias=bias) + + if add_bias_kv: + self.bias_k = Parameter(torch.Tensor(1, 1, embed_dim)) + self.bias_v = Parameter(torch.Tensor(1, 1, embed_dim)) + else: + self.bias_k = self.bias_v = None + + self.add_zero_attn = add_zero_attn + + self.reset_parameters() + + self.onnx_trace = False + self.rot_emb = None + if use_rotary_embeddings: + self.rot_emb = RotaryEmbedding(dim=self.head_dim) + + self.enable_torch_version = False + if hasattr(F, "multi_head_attention_forward"): + self.enable_torch_version = True + else: + self.enable_torch_version = False + + def prepare_for_onnx_export_(self): + self.onnx_trace = True + + def reset_parameters(self): + if self.qkv_same_dim: + # Empirically observed the convergence to be much better with + # the scaled initialization + nn.init.xavier_uniform_(self.k_proj.weight, gain=1 / math.sqrt(2)) + nn.init.xavier_uniform_(self.v_proj.weight, gain=1 / math.sqrt(2)) + nn.init.xavier_uniform_(self.q_proj.weight, gain=1 / math.sqrt(2)) + else: + nn.init.xavier_uniform_(self.k_proj.weight) + nn.init.xavier_uniform_(self.v_proj.weight) + nn.init.xavier_uniform_(self.q_proj.weight) + + nn.init.xavier_uniform_(self.out_proj.weight) + if self.out_proj.bias is not None: + nn.init.constant_(self.out_proj.bias, 0.0) + if self.bias_k is not None: + nn.init.xavier_normal_(self.bias_k) + if self.bias_v is not None: + nn.init.xavier_normal_(self.bias_v) + + def forward( + self, + query, + key: Optional[Tensor], + value: Optional[Tensor], + key_padding_mask: Optional[Tensor] = None, + incremental_state: Optional[Dict[str, Dict[str, Optional[Tensor]]]] = None, + need_weights: bool = True, + static_kv: bool = False, + attn_mask: Optional[Tensor] = None, + before_softmax: bool = False, + need_head_weights: bool = False, + ) -> Tuple[Tensor, Optional[Tensor]]: + """Input shape: Time x Batch x Channel + + Args: + key_padding_mask (ByteTensor, optional): mask to exclude + keys that are pads, of shape `(batch, src_len)`, where + padding elements are indicated by 1s. + need_weights (bool, optional): return the attention weights, + averaged over heads (default: False). + attn_mask (ByteTensor, optional): typically used to + implement causal attention, where the mask prevents the + attention from looking forward in time (default: None). + before_softmax (bool, optional): return the raw attention + weights and values before the attention softmax. + need_head_weights (bool, optional): return the attention + weights for each head. Implies *need_weights*. Default: + return the average attention weights over all heads. + """ + if need_head_weights: + need_weights = True + + tgt_len, bsz, embed_dim = query.size() + assert embed_dim == self.embed_dim + assert list(query.size()) == [tgt_len, bsz, embed_dim] + + if ( + not self.rot_emb + and self.enable_torch_version + and not self.onnx_trace + and incremental_state is None + and not static_kv + # A workaround for quantization to work. Otherwise JIT compilation + # treats bias in linear module as method. + and not torch.jit.is_scripting() + and not need_head_weights + ): + assert key is not None and value is not None + return F.multi_head_attention_forward( + query, + key, + value, + self.embed_dim, + self.num_heads, + torch.empty([0]), + torch.cat((self.q_proj.bias, self.k_proj.bias, self.v_proj.bias)), + self.bias_k, + self.bias_v, + self.add_zero_attn, + self.dropout, + self.out_proj.weight, + self.out_proj.bias, + self.training, + key_padding_mask, + need_weights, + attn_mask, + use_separate_proj_weight=True, + q_proj_weight=self.q_proj.weight, + k_proj_weight=self.k_proj.weight, + v_proj_weight=self.v_proj.weight, + ) + if incremental_state is not None: + saved_state = self._get_input_buffer(incremental_state) + if saved_state is not None and "prev_key" in saved_state: + # previous time steps are cached - no need to recompute + # key and value if they are static + if static_kv: + assert self.encoder_decoder_attention and not self.self_attention + key = value = None + else: + saved_state = None + + if self.self_attention: + q = self.q_proj(query) + k = self.k_proj(query) + v = self.v_proj(query) + elif self.encoder_decoder_attention: + # encoder-decoder attention + q = self.q_proj(query) + if key is None: + assert value is None + k = v = None + else: + k = self.k_proj(key) + v = self.v_proj(key) + + else: + assert key is not None and value is not None + q = self.q_proj(query) + k = self.k_proj(key) + v = self.v_proj(value) + q *= self.scaling + + if self.bias_k is not None: + assert self.bias_v is not None + k = torch.cat([k, self.bias_k.repeat(1, bsz, 1)]) + v = torch.cat([v, self.bias_v.repeat(1, bsz, 1)]) + if attn_mask is not None: + attn_mask = torch.cat( + [attn_mask, attn_mask.new_zeros(attn_mask.size(0), 1)], dim=1 + ) + if key_padding_mask is not None: + key_padding_mask = torch.cat( + [ + key_padding_mask, + key_padding_mask.new_zeros(key_padding_mask.size(0), 1), + ], + dim=1, + ) + + q = q.contiguous().view(tgt_len, bsz * self.num_heads, self.head_dim).transpose(0, 1) + if k is not None: + k = k.contiguous().view(-1, bsz * self.num_heads, self.head_dim).transpose(0, 1) + if v is not None: + v = v.contiguous().view(-1, bsz * self.num_heads, self.head_dim).transpose(0, 1) + + if saved_state is not None: + # saved states are stored with shape (bsz, num_heads, seq_len, head_dim) + if "prev_key" in saved_state: + _prev_key = saved_state["prev_key"] + assert _prev_key is not None + prev_key = _prev_key.view(bsz * self.num_heads, -1, self.head_dim) + if static_kv: + k = prev_key + else: + assert k is not None + k = torch.cat([prev_key, k], dim=1) + if "prev_value" in saved_state: + _prev_value = saved_state["prev_value"] + assert _prev_value is not None + prev_value = _prev_value.view(bsz * self.num_heads, -1, self.head_dim) + if static_kv: + v = prev_value + else: + assert v is not None + v = torch.cat([prev_value, v], dim=1) + prev_key_padding_mask: Optional[Tensor] = None + if "prev_key_padding_mask" in saved_state: + prev_key_padding_mask = saved_state["prev_key_padding_mask"] + assert k is not None and v is not None + key_padding_mask = MultiheadAttention._append_prev_key_padding_mask( + key_padding_mask=key_padding_mask, + prev_key_padding_mask=prev_key_padding_mask, + batch_size=bsz, + src_len=k.size(1), + static_kv=static_kv, + ) + + saved_state["prev_key"] = k.view(bsz, self.num_heads, -1, self.head_dim) + saved_state["prev_value"] = v.view(bsz, self.num_heads, -1, self.head_dim) + saved_state["prev_key_padding_mask"] = key_padding_mask + # In this branch incremental_state is never None + assert incremental_state is not None + incremental_state = self._set_input_buffer(incremental_state, saved_state) + assert k is not None + src_len = k.size(1) + + # This is part of a workaround to get around fork/join parallelism + # not supporting Optional types. + if key_padding_mask is not None and key_padding_mask.dim() == 0: + key_padding_mask = None + + if key_padding_mask is not None: + assert key_padding_mask.size(0) == bsz + assert key_padding_mask.size(1) == src_len + + if self.add_zero_attn: + assert v is not None + src_len += 1 + k = torch.cat([k, k.new_zeros((k.size(0), 1) + k.size()[2:])], dim=1) + v = torch.cat([v, v.new_zeros((v.size(0), 1) + v.size()[2:])], dim=1) + if attn_mask is not None: + attn_mask = torch.cat( + [attn_mask, attn_mask.new_zeros(attn_mask.size(0), 1)], dim=1 + ) + if key_padding_mask is not None: + key_padding_mask = torch.cat( + [ + key_padding_mask, + torch.zeros(key_padding_mask.size(0), 1).type_as(key_padding_mask), + ], + dim=1, + ) + + if self.rot_emb: + q, k = self.rot_emb(q, k) + + attn_weights = torch.bmm(q, k.transpose(1, 2)) + attn_weights = MultiheadAttention.apply_sparse_mask(attn_weights, tgt_len, src_len, bsz) + + assert list(attn_weights.size()) == [bsz * self.num_heads, tgt_len, src_len] + + if attn_mask is not None: + attn_mask = attn_mask.unsqueeze(0) + if self.onnx_trace: + attn_mask = attn_mask.repeat(attn_weights.size(0), 1, 1) + attn_weights += attn_mask + + if key_padding_mask is not None: + # don't attend to padding symbols + attn_weights = attn_weights.view(bsz, self.num_heads, tgt_len, src_len) + attn_weights = attn_weights.masked_fill( + key_padding_mask.unsqueeze(1).unsqueeze(2).to(torch.bool), float("-inf") + ) + attn_weights = attn_weights.view(bsz * self.num_heads, tgt_len, src_len) + + if before_softmax: + return attn_weights, v + + attn_weights_float = utils_softmax(attn_weights, dim=-1, onnx_trace=self.onnx_trace) + attn_weights = attn_weights_float.type_as(attn_weights) + attn_probs = F.dropout( + attn_weights_float.type_as(attn_weights), + p=self.dropout, + training=self.training, + ) + assert v is not None + attn = torch.bmm(attn_probs, v) + assert list(attn.size()) == [bsz * self.num_heads, tgt_len, self.head_dim] + if self.onnx_trace and attn.size(1) == 1: + # when ONNX tracing a single decoder step (sequence length == 1) + # the transpose is a no-op copy before view, thus unnecessary + attn = attn.contiguous().view(tgt_len, bsz, embed_dim) + else: + attn = attn.transpose(0, 1).contiguous().view(tgt_len, bsz, embed_dim) + attn = self.out_proj(attn) + attn_weights: Optional[Tensor] = None + if need_weights: + attn_weights = attn_weights_float.view( + bsz, self.num_heads, tgt_len, src_len + ).type_as(attn).transpose(1, 0) + if not need_head_weights: + # average attention weights over heads + attn_weights = attn_weights.mean(dim=0) + + return attn, attn_weights + + @staticmethod + def _append_prev_key_padding_mask( + key_padding_mask: Optional[Tensor], + prev_key_padding_mask: Optional[Tensor], + batch_size: int, + src_len: int, + static_kv: bool, + ) -> Optional[Tensor]: + # saved key padding masks have shape (bsz, seq_len) + if prev_key_padding_mask is not None and static_kv: + new_key_padding_mask = prev_key_padding_mask + elif prev_key_padding_mask is not None and key_padding_mask is not None: + new_key_padding_mask = torch.cat( + [prev_key_padding_mask.float(), key_padding_mask.float()], dim=1 + ) + # During incremental decoding, as the padding token enters and + # leaves the frame, there will be a time when prev or current + # is None + elif prev_key_padding_mask is not None: + filler = torch.zeros( + (batch_size, src_len - prev_key_padding_mask.size(1)), + device=prev_key_padding_mask.device, + ) + new_key_padding_mask = torch.cat( + [prev_key_padding_mask.float(), filler.float()], dim=1 + ) + elif key_padding_mask is not None: + filler = torch.zeros( + (batch_size, src_len - key_padding_mask.size(1)), + device=key_padding_mask.device, + ) + new_key_padding_mask = torch.cat([filler.float(), key_padding_mask.float()], dim=1) + else: + new_key_padding_mask = prev_key_padding_mask + return new_key_padding_mask + + @torch.jit.export + def reorder_incremental_state( + self, incremental_state: Dict[str, Dict[str, Optional[Tensor]]], new_order: Tensor + ): + """Reorder buffered internal state (for incremental generation).""" + input_buffer = self._get_input_buffer(incremental_state) + if input_buffer is not None: + for k in input_buffer.keys(): + input_buffer_k = input_buffer[k] + if input_buffer_k is not None: + if self.encoder_decoder_attention and input_buffer_k.size(0) == new_order.size( + 0 + ): + break + input_buffer[k] = input_buffer_k.index_select(0, new_order) + incremental_state = self._set_input_buffer(incremental_state, input_buffer) + return incremental_state + + def _get_input_buffer( + self, incremental_state: Optional[Dict[str, Dict[str, Optional[Tensor]]]] + ) -> Dict[str, Optional[Tensor]]: + result = self.get_incremental_state(incremental_state, "attn_state") + if result is not None: + return result + else: + empty_result: Dict[str, Optional[Tensor]] = {} + return empty_result + + def _set_input_buffer( + self, + incremental_state: Dict[str, Dict[str, Optional[Tensor]]], + buffer: Dict[str, Optional[Tensor]], + ): + return self.set_incremental_state(incremental_state, "attn_state", buffer) + + def apply_sparse_mask(attn_weights, tgt_len: int, src_len: int, bsz: int): + return attn_weights + + def upgrade_state_dict_named(self, state_dict, name): + prefix = name + "." if name != "" else "" + items_to_add = {} + keys_to_remove = [] + for k in state_dict.keys(): + if k.endswith(prefix + "in_proj_weight"): + # in_proj_weight used to be q + k + v with same dimensions + dim = int(state_dict[k].shape[0] / 3) + items_to_add[prefix + "q_proj.weight"] = state_dict[k][:dim] + items_to_add[prefix + "k_proj.weight"] = state_dict[k][dim : 2 * dim] + items_to_add[prefix + "v_proj.weight"] = state_dict[k][2 * dim :] + + keys_to_remove.append(k) + + k_bias = prefix + "in_proj_bias" + if k_bias in state_dict.keys(): + dim = int(state_dict[k].shape[0] / 3) + items_to_add[prefix + "q_proj.bias"] = state_dict[k_bias][:dim] + items_to_add[prefix + "k_proj.bias"] = state_dict[k_bias][dim : 2 * dim] + items_to_add[prefix + "v_proj.bias"] = state_dict[k_bias][2 * dim :] + + keys_to_remove.append(prefix + "in_proj_bias") + + for k in keys_to_remove: + del state_dict[k] + + for key, value in items_to_add.items(): + state_dict[key] = value + + + +class TransformerEncoderLayer(nn.Module): + """Encoder layer block. + `layernorm -> dropout -> add residual` + + Args: + args (argparse.Namespace): parsed command-line arguments + """ + + def __init__(self, args): + super().__init__() + self.args = args + self.embed_dim = args.encoder_embed_dim + self.self_attn = self.build_self_attention(self.embed_dim, args) + self.self_attn_layer_norm = torch.nn.LayerNorm(self.embed_dim) + self.dropout_module = nn.Dropout(args.dropout) + self.activation_fn = F.relu + self.fc1 = self.build_fc1( + self.embed_dim, + args.encoder_ffn_embed_dim, + ) + self.fc2 = self.build_fc2( + args.encoder_ffn_embed_dim, + self.embed_dim, + ) + + self.final_layer_norm = nn.LayerNorm(self.embed_dim) + + def build_fc1(self, input_dim, output_dim): + return nn.Linear(input_dim, output_dim) + + def build_fc2(self, input_dim, output_dim): + return nn.Linear(input_dim, output_dim) + + def build_self_attention(self, embed_dim, args): + return MultiheadAttention( + embed_dim, + args.encoder_attention_heads, + dropout=args.attention_dropout, + self_attention=True, + ) + + def residual_connection(self, x, residual): + return residual + x + + def forward( + self, + x, + encoder_padding_mask: Optional[Tensor], + attn_mask: Optional[Tensor] = None, + ): + """ + Args: + x (Tensor): input to the layer of shape `(seq_len, batch, embed_dim)` + encoder_padding_mask (ByteTensor): binary ByteTensor of shape + `(batch, seq_len)` where padding elements are indicated by ``1``. + attn_mask (ByteTensor): binary tensor of shape `(tgt_len, src_len)`, + where `tgt_len` is the length of output and `src_len` is the + length of input, though here both are equal to `seq_len`. + `attn_mask[tgt_i, src_j] = 1` means that when calculating the + embedding for `tgt_i`, we exclude (mask out) `src_j`. This is + useful for strided self-attention. + + Returns: + encoded output of shape `(seq_len, batch, embed_dim)` + """ + # anything in original attn_mask = 1, becomes -1e8 + # anything in original attn_mask = 0, becomes 0 + # Note that we cannot use -inf here, because at some edge cases, + # the attention weight (before softmax) for some padded element in query + # will become -inf, which results in NaN in model parameters + if attn_mask is not None: + attn_mask = attn_mask.masked_fill( + attn_mask.to(torch.bool), -1e8 if x.dtype == torch.float32 else -1e4 + ) + + residual = x + x = self.self_attn_layer_norm(x) + x, _ = self.self_attn( + query=x, + key=x, + value=x, + key_padding_mask=encoder_padding_mask, + need_weights=False, + attn_mask=attn_mask, + ) + x = self.dropout_module(x) + x = self.residual_connection(x, residual) + + residual = x + x = self.final_layer_norm(x) + x = self.activation_fn(self.fc1(x)) + x = self.fc2(x) + x = self.dropout_module(x) + x = self.residual_connection(x, residual) + return x + + +class TransformerDecoderLayer(nn.Module): + """Decoder layer block. + `layernorm -> dropout -> add residual` + + Args: + args (argparse.Namespace): parsed command-line arguments + no_encoder_attn (bool, optional): whether to attend to encoder outputs + (default: False). + """ + + def __init__( + self, args, no_encoder_attn=False, add_bias_kv=False, add_zero_attn=False + ): + super().__init__() + self.embed_dim = args.decoder_embed_dim + self.dropout_module = nn.Dropout(args.dropout) + + self.self_attn = self.build_self_attention( + self.embed_dim, + args, + add_bias_kv=add_bias_kv, + add_zero_attn=add_zero_attn, + ) + self.nh = self.self_attn.num_heads + self.head_dim = self.self_attn.head_dim + + self.activation_fn = F.relu + + self.self_attn_layer_norm = nn.LayerNorm(self.embed_dim) + + if no_encoder_attn: + self.encoder_attn = None + self.encoder_attn_layer_norm = None + else: + self.encoder_attn = self.build_encoder_attention(self.embed_dim, args) + self.encoder_attn_layer_norm = nn.LayerNorm(self.embed_dim) + + self.ffn_layernorm = ( + LayerNorm(args.decoder_ffn_embed_dim) + if getattr(args, "scale_fc", False) + else None + ) + self.w_resid = ( + nn.Parameter( + torch.ones( + self.embed_dim, + ), + requires_grad=True, + ) + if getattr(args, "scale_resids", False) + else None + ) + + self.fc1 = self.build_fc1( + self.embed_dim, + args.decoder_ffn_embed_dim, + ) + self.fc2 = self.build_fc2( + args.decoder_ffn_embed_dim, + self.embed_dim, + ) + + self.final_layer_norm = nn.LayerNorm(self.embed_dim) + self.need_attn = True + + def build_fc1(self, input_dim, output_dim): + return nn.Linear(input_dim, output_dim) + + def build_fc2(self, input_dim, output_dim): + return nn.Linear(input_dim, output_dim) + + def build_self_attention( + self, embed_dim, args, add_bias_kv=False, add_zero_attn=False + ): + return MultiheadAttention( + embed_dim, + args.decoder_attention_heads, + dropout=args.attention_dropout, + add_bias_kv=add_bias_kv, + add_zero_attn=add_zero_attn, + self_attention=True, + ) + + def build_encoder_attention(self, embed_dim, args): + return MultiheadAttention( + embed_dim, + args.decoder_attention_heads, + kdim=args.encoder_embed_dim, + vdim=args.encoder_embed_dim, + dropout=args.attention_dropout, + encoder_decoder_attention=True, + ) + + def residual_connection(self, x, residual): + return residual + x + + def forward( + self, + x, + encoder_out: Optional[torch.Tensor] = None, + encoder_padding_mask: Optional[torch.Tensor] = None, + incremental_state: Optional[Dict[str, Dict[str, Optional[Tensor]]]] = None, + prev_self_attn_state: Optional[List[torch.Tensor]] = None, + prev_attn_state: Optional[List[torch.Tensor]] = None, + self_attn_mask: Optional[torch.Tensor] = None, + self_attn_padding_mask: Optional[torch.Tensor] = None, + need_attn: bool = False, + need_head_weights: bool = False, + ): + """ + Args: + x (Tensor): input to the layer of shape `(seq_len, batch, embed_dim)` + encoder_padding_mask (ByteTensor, optional): binary + ByteTensor of shape `(batch, src_len)` where padding + elements are indicated by ``1``. + need_attn (bool, optional): return attention weights + need_head_weights (bool, optional): return attention weights + for each head (default: return average over heads). + + Returns: + encoded output of shape `(seq_len, batch, embed_dim)` + """ + if need_head_weights: + need_attn = True + + residual = x + x = self.self_attn_layer_norm(x) + if prev_self_attn_state is not None: + prev_key, prev_value = prev_self_attn_state[:2] + saved_state: Dict[str, Optional[Tensor]] = { + "prev_key": prev_key, + "prev_value": prev_value, + } + if len(prev_self_attn_state) >= 3: + saved_state["prev_key_padding_mask"] = prev_self_attn_state[2] + assert incremental_state is not None + self.self_attn._set_input_buffer(incremental_state, saved_state) + _self_attn_input_buffer = self.self_attn._get_input_buffer(incremental_state) + y = x + + x, attn = self.self_attn( + query=x, + key=y, + value=y, + key_padding_mask=self_attn_padding_mask, + incremental_state=incremental_state, + need_weights=False, + attn_mask=self_attn_mask, + ) + x = self.dropout_module(x) + x = self.residual_connection(x, residual) + + if self.encoder_attn is not None and encoder_out is not None: + residual = x + x = self.encoder_attn_layer_norm(x) + if prev_attn_state is not None: + prev_key, prev_value = prev_attn_state[:2] + saved_state: Dict[str, Optional[Tensor]] = { + "prev_key": prev_key, + "prev_value": prev_value, + } + if len(prev_attn_state) >= 3: + saved_state["prev_key_padding_mask"] = prev_attn_state[2] + assert incremental_state is not None + self.encoder_attn._set_input_buffer(incremental_state, saved_state) + + x, attn = self.encoder_attn( + query=x, + key=encoder_out, + value=encoder_out, + key_padding_mask=encoder_padding_mask, + incremental_state=incremental_state, + static_kv=True, + need_weights=need_attn or (not self.training and self.need_attn), + need_head_weights=need_head_weights, + ) + x = self.dropout_module(x) + x = self.residual_connection(x, residual) + + residual = x + x = self.final_layer_norm(x) + + x = self.activation_fn(self.fc1(x)) + if self.ffn_layernorm is not None: + x = self.ffn_layernorm(x) + x = self.fc2(x) + x = self.dropout_module(x) + if self.w_resid is not None: + residual = torch.mul(self.w_resid, residual) + x = self.residual_connection(x, residual) + return x, attn, None + + +class GVPTransformerEncoder(nn.Module): + """ + Transformer encoder consisting of *args.encoder.layers* layers. Each layer + is a :class:`TransformerEncoderLayer`. + + Args: + args (argparse.Namespace): parsed command-line arguments + dictionary (~fairseq.data.Dictionary): encoding dictionary + embed_tokens (torch.nn.Embedding): input embedding + """ + + def __init__(self, args, dictionary, embed_tokens): + super().__init__() + self.args = args + self.dictionary = dictionary + + self.dropout_module = nn.Dropout(args.dropout) + + embed_dim = embed_tokens.embedding_dim + self.padding_idx = embed_tokens.padding_idx + + self.embed_tokens = embed_tokens + self.embed_scale = math.sqrt(embed_dim) + self.embed_positions = SinusoidalPositionalEmbedding( + embed_dim, + self.padding_idx, + ) + self.embed_gvp_input_features = nn.Linear(15, embed_dim) + self.embed_confidence = nn.Linear(16, embed_dim) + self.embed_dihedrals = DihedralFeatures(embed_dim) + + self.gvp_encoder = GVPEncoder(args) + gvp_out_dim = args.node_hidden_dim_scalar + (3 * + args.node_hidden_dim_vector) + self.embed_gvp_output = nn.Linear(gvp_out_dim, embed_dim) + + self.layers = nn.ModuleList([]) + self.layers.extend( + [self.build_encoder_layer(args) for i in range(args.encoder_layers)] + ) + self.num_layers = len(self.layers) + self.layer_norm = nn.LayerNorm(embed_dim) + + def build_encoder_layer(self, args): + return TransformerEncoderLayer(args) + + def forward_embedding(self, coords, padding_mask, confidence): + """ + Args: + coords: N, CA, C backbone coordinates in shape length x 3 (atoms) x 3 + padding_mask: boolean Tensor (true for padding) of shape length + confidence: confidence scores between 0 and 1 of shape length + """ + components = dict() + coord_mask = torch.all(torch.all(torch.isfinite(coords), dim=-1), dim=-1) + coords = nan_to_num(coords) + mask_tokens = ( + padding_mask * self.dictionary.pad_token_id + + ~padding_mask * self.dictionary.mask_token_id + ) + components["tokens"] = self.embed_tokens(mask_tokens) * self.embed_scale + components["diherals"] = self.embed_dihedrals(coords) + + # GVP encoder + gvp_out_scalars, gvp_out_vectors = self.gvp_encoder(coords, + coord_mask, padding_mask, confidence) + R = get_rotation_frames(coords) + # Rotate to local rotation frame for rotation-invariance + gvp_out_features = torch.cat([ + gvp_out_scalars, + rotate(gvp_out_vectors, R.transpose(-2, -1)).flatten(-2, -1), + ], dim=-1) + components["gvp_out"] = self.embed_gvp_output(gvp_out_features) + + components["confidence"] = self.embed_confidence( + rbf(confidence, 0., 1.)) + + # In addition to GVP encoder outputs, also directly embed GVP input node + # features to the Transformer + scalar_features, vector_features = GVPInputFeaturizer.get_node_features( + coords, coord_mask, with_coord_mask=False) + features = torch.cat([ + scalar_features, + rotate(vector_features, R.transpose(-2, -1)).flatten(-2, -1), + ], dim=-1) + components["gvp_input_features"] = self.embed_gvp_input_features(features) + + embed = sum(components.values()) + # for k, v in components.items(): + # print(k, torch.mean(v, dim=(0,1)), torch.std(v, dim=(0,1))) + + x = embed + x = x + self.embed_positions(mask_tokens) + x = self.dropout_module(x) + return x, components + + def forward( + self, + coords, + encoder_padding_mask, + confidence, + return_all_hiddens: bool = False, + ): + """ + Args: + coords (Tensor): backbone coordinates + shape batch_size x num_residues x num_atoms (3 for N, CA, C) x 3 + encoder_padding_mask (ByteTensor): the positions of + padding elements of shape `(batch_size x num_residues)` + confidence (Tensor): the confidence score of shape (batch_size x + num_residues). The value is between 0. and 1. for each residue + coordinate, or -1. if no coordinate is given + return_all_hiddens (bool, optional): also return all of the + intermediate hidden states (default: False). + + Returns: + dict: + - **encoder_out** (Tensor): the last encoder layer's output of + shape `(num_residues, batch_size, embed_dim)` + - **encoder_padding_mask** (ByteTensor): the positions of + padding elements of shape `(batch_size, num_residues)` + - **encoder_embedding** (Tensor): the (scaled) embedding lookup + of shape `(batch_size, num_residues, embed_dim)` + - **encoder_states** (List[Tensor]): all intermediate + hidden states of shape `(num_residues, batch_size, embed_dim)`. + Only populated if *return_all_hiddens* is True. + """ + x, encoder_embedding = self.forward_embedding(coords, + encoder_padding_mask, confidence) + # account for padding while computing the representation + x = x * (1 - encoder_padding_mask.unsqueeze(-1).type_as(x)) + + # B x T x C -> T x B x C + x = x.transpose(0, 1) + + encoder_states = [] + + if return_all_hiddens: + encoder_states.append(x) + + # encoder layers + for layer in self.layers: + x = layer( + x, encoder_padding_mask=encoder_padding_mask + ) + if return_all_hiddens: + assert encoder_states is not None + encoder_states.append(x) + + if self.layer_norm is not None: + x = self.layer_norm(x) + + return { + "encoder_out": [x], # T x B x C + "encoder_padding_mask": [encoder_padding_mask], # B x T + "encoder_embedding": [encoder_embedding], # dictionary + "encoder_states": encoder_states, # List[T x B x C] + } + +class TransformerDecoder(nn.Module): + """ + Transformer decoder consisting of *args.decoder.layers* layers. Each layer + is a :class:`TransformerDecoderLayer`. + + Args: + args (argparse.Namespace): parsed command-line arguments + dictionary (~fairseq.data.Dictionary): decoding dictionary + embed_tokens (torch.nn.Embedding): output embedding + no_encoder_attn (bool, optional): whether to attend to encoder outputs + (default: False). + """ + + def __init__( + self, + args, + dictionary, + embed_tokens, + ): + super().__init__() + self.args = args + self.dictionary = dictionary + self._future_mask = torch.empty(0) + + self.dropout_module = nn.Dropout(args.dropout) + + input_embed_dim = embed_tokens.embedding_dim + embed_dim = args.decoder_embed_dim + self.embed_dim = embed_dim + + self.padding_idx = embed_tokens.padding_idx + + self.embed_tokens = embed_tokens + self.embed_scale = math.sqrt(embed_dim) + + self.project_in_dim = ( + nn.Linear(input_embed_dim, embed_dim, bias=False) + if embed_dim != input_embed_dim + else None + ) + self.embed_positions = SinusoidalPositionalEmbedding( + embed_dim, + self.padding_idx, + ) + + self.layers = nn.ModuleList([]) + self.layers.extend( + [ + self.build_decoder_layer(args) + for _ in range(args.decoder_layers) + ] + ) + self.num_layers = len(self.layers) + self.layer_norm = nn.LayerNorm(embed_dim) + + self.build_output_projection(args, dictionary) + + def build_output_projection(self, args, dictionary): + self.output_projection = nn.Linear( + args.decoder_embed_dim, len(dictionary), bias=False + ) + nn.init.normal_( + self.output_projection.weight, mean=0, std=args.decoder_embed_dim ** -0.5 + ) + + def build_decoder_layer(self, args): + return TransformerDecoderLayer(args) + + def forward( + self, + prev_output_tokens, + encoder_out: Optional[Dict[str, List[Tensor]]] = None, + incremental_state: Optional[Dict[str, Dict[str, Optional[Tensor]]]] = None, + features_only: bool = False, + return_all_hiddens: bool = False, + ): + """ + Args: + prev_output_tokens (LongTensor): previous decoder outputs of shape + `(batch, tgt_len)`, for teacher forcing + encoder_out (optional): output from the encoder, used for + encoder-side attention, should be of size T x B x C + incremental_state (dict): dictionary used for storing state during + :ref:`Incremental decoding` + features_only (bool, optional): only return features without + applying output layer (default: False). + + Returns: + tuple: + - the decoder's output of shape `(batch, tgt_len, vocab)` + - a dictionary with any model-specific outputs + """ + + x, extra = self.extract_features( + prev_output_tokens, + encoder_out=encoder_out, + incremental_state=incremental_state, + ) + + if not features_only: + x = self.output_layer(x) + x = x.transpose(1, 2) # B x T x C -> B x C x T + x = torch.nan_to_num(x, 0) + return x, extra + + def extract_features( + self, + prev_output_tokens, + encoder_out: Optional[Dict[str, List[Tensor]]], + incremental_state: Optional[Dict[str, Dict[str, Optional[Tensor]]]] = None, + ): + """ + Similar to *forward* but only return features. + + Includes several features from "Jointly Learning to Align and + Translate with Transformer Models" (Garg et al., EMNLP 2019). + + Returns: + tuple: + - the decoder's features of shape `(batch, tgt_len, embed_dim)` + - a dictionary with any model-specific outputs + """ + bs, slen = prev_output_tokens.size() + + enc: Optional[Tensor] = None + padding_mask: Optional[Tensor] = None + if encoder_out is not None and len(encoder_out["encoder_out"]) > 0: + enc = encoder_out["encoder_out"][0] + assert ( + enc.size()[1] == bs + ), f"Expected enc.shape == (t, {bs}, c) got {enc.shape}" + if encoder_out is not None and len(encoder_out["encoder_padding_mask"]) > 0: + padding_mask = encoder_out["encoder_padding_mask"][0] + + # embed positions + positions = self.embed_positions( + prev_output_tokens + ) + + if incremental_state is not None: + prev_output_tokens = prev_output_tokens[:, -1:] + positions = positions[:, -1:] + + # embed tokens and positions + x = self.embed_scale * self.embed_tokens(prev_output_tokens) + + if self.project_in_dim is not None: + x = self.project_in_dim(x) + + x += positions + + x = self.dropout_module(x) + + # B x T x C -> T x B x C + x = x.transpose(0, 1) + + self_attn_padding_mask: Optional[Tensor] = None + if prev_output_tokens.eq(self.padding_idx).any(): + self_attn_padding_mask = prev_output_tokens.eq(self.padding_idx) + + # decoder layers + attn: Optional[Tensor] = None + inner_states: List[Optional[Tensor]] = [x] + for idx, layer in enumerate(self.layers): + if incremental_state is None: + self_attn_mask = self.buffered_future_mask(x) + else: + self_attn_mask = None + + + x, layer_attn, _ = layer( + x, + enc, + padding_mask, + incremental_state, + self_attn_mask=self_attn_mask, + self_attn_padding_mask=self_attn_padding_mask, + need_attn=False, + need_head_weights=False, + ) + inner_states.append(x) + + if self.layer_norm is not None: + x = self.layer_norm(x) + + # T x B x C -> B x C x T + x = x.transpose(0, 1) + + return x, {"inner_states": inner_states} + + def output_layer(self, features): + """Project features to the vocabulary size.""" + return self.output_projection(features) + + def buffered_future_mask(self, tensor): + dim = tensor.size(0) + # self._future_mask.device != tensor.device is not working in TorchScript. This is a workaround. + if ( + self._future_mask.size(0) == 0 + or (not self._future_mask.device == tensor.device) + or self._future_mask.size(0) < dim + ): + self._future_mask = torch.triu( + fill_with_neg_inf(torch.zeros([dim, dim])), 1 + ) + self._future_mask = self._future_mask.to(tensor) + return self._future_mask[:dim, :dim] + + +class BatchConverter(object): + """Callable to convert an unprocessed (labels + strings) batch to a + processed (labels + tensor) batch. + """ + + def __init__(self, alphabet): + self.alphabet = alphabet + + def __call__(self, raw_batch: Sequence[Tuple[str, str]]): + # RoBERTa uses an eos token, while ESM-1 does not. + batch_size = len(raw_batch) + batch_labels, seq_str_list = zip(*raw_batch) + seq_encoded_list = [self.alphabet.encode(seq_str) for seq_str in seq_str_list] + max_len = max(len(seq_encoded) for seq_encoded in seq_encoded_list) + tokens = torch.empty( + ( + batch_size, + max_len + int(self.alphabet.prepend_bos) + int(self.alphabet.append_eos), + ), + dtype=torch.int64, + ) + tokens.fill_(self.alphabet.padding_idx) + labels = [] + strs = [] + + for i, (label, seq_str, seq_encoded) in enumerate( + zip(batch_labels, seq_str_list, seq_encoded_list) + ): + labels.append(label) + strs.append(seq_str) + if self.alphabet.prepend_bos: + tokens[i, 0] = self.alphabet.cls_idx + seq = torch.tensor(seq_encoded, dtype=torch.int64) + tokens[ + i, + int(self.alphabet.prepend_bos) : len(seq_encoded) + + int(self.alphabet.prepend_bos), + ] = seq + if self.alphabet.append_eos: + tokens[i, len(seq_encoded) + int(self.alphabet.prepend_bos)] = self.alphabet.eos_idx + + return labels, strs, tokens + +class CoordBatchConverter(BatchConverter): + def __call__(self, raw_batch: Sequence[Tuple[Sequence, str]], device=None): + """ + Args: + raw_batch: List of tuples (coords, confidence, seq) + In each tuple, + coords: list of floats, shape L x 3 x 3 + confidence: list of floats, shape L; or scalar float; or None + seq: string of length L + Returns: + coords: Tensor of shape batch_size x L x 3 x 3 + confidence: Tensor of shape batch_size x L + strs: list of strings + tokens: LongTensor of shape batch_size x L + padding_mask: ByteTensor of shape batch_size x L + """ + self.alphabet.cls_idx = self.alphabet.get_idx("") + batch = [] + for coords, confidence, seq in raw_batch: + if confidence is None: + confidence = 1. + if isinstance(confidence, float) or isinstance(confidence, int): + confidence = [float(confidence)] * len(coords) + if seq is None: + seq = 'X' * len(coords) + batch.append(((coords, confidence), seq)) + + coords_and_confidence, strs, tokens = super().__call__(batch) + + # pad beginning and end of each protein due to legacy reasons + coords = [ + F.pad(torch.tensor(cd), (0, 0, 0, 0, 1, 1), value=np.inf) + for cd, _ in coords_and_confidence + ] + confidence = [ + F.pad(torch.tensor(cf), (1, 1), value=-1.) + for _, cf in coords_and_confidence + ] + coords = self.collate_dense_tensors(coords, pad_v=np.nan) + confidence = self.collate_dense_tensors(confidence, pad_v=-1.) + if device is not None: + coords = coords.to(device) + confidence = confidence.to(device) + tokens = tokens.to(device) + padding_mask = torch.isnan(coords[:,:,0,0]) + coord_mask = torch.isfinite(coords.sum(-2).sum(-1)) + confidence = confidence * coord_mask + (-1.) * padding_mask + return coords, confidence, strs, tokens, padding_mask + + def from_lists(self, coords_list, confidence_list=None, seq_list=None, device=None): + """ + Args: + coords_list: list of length batch_size, each item is a list of + floats in shape L x 3 x 3 to describe a backbone + confidence_list: one of + - None, default to highest confidence + - list of length batch_size, each item is a scalar + - list of length batch_size, each item is a list of floats of + length L to describe the confidence scores for the backbone + with values between 0. and 1. + seq_list: either None or a list of strings + Returns: + coords: Tensor of shape batch_size x L x 3 x 3 + confidence: Tensor of shape batch_size x L + strs: list of strings + tokens: LongTensor of shape batch_size x L + padding_mask: ByteTensor of shape batch_size x L + """ + batch_size = len(coords_list) + if confidence_list is None: + confidence_list = [None] * batch_size + if seq_list is None: + seq_list = [None] * batch_size + raw_batch = zip(coords_list, confidence_list, seq_list) + return self.__call__(raw_batch, device) + + @staticmethod + def collate_dense_tensors(samples, pad_v): + """ + Takes a list of tensors with the following dimensions: + [(d_11, ..., d_1K), + (d_21, ..., d_2K), + ..., + (d_N1, ..., d_NK)] + and stack + pads them into a single tensor of: + (N, max_i=1,N { d_i1 }, ..., max_i=1,N {diK}) + """ + if len(samples) == 0: + return torch.Tensor() + if len(set(x.dim() for x in samples)) != 1: + raise RuntimeError( + f"Samples has varying dimensions: {[x.dim() for x in samples]}" + ) + (device,) = tuple(set(x.device for x in samples)) # assumes all on same device + max_shape = [max(lst) for lst in zip(*[x.shape for x in samples])] + result = torch.empty( + len(samples), *max_shape, dtype=samples[0].dtype, device=device + ) + result.fill_(pad_v) + for i in range(len(samples)): + result_i = result[i] + t = samples[i] + result_i[tuple(slice(0, k) for k in t.shape)] = t + return result + +proteinseq_toks = { + 'toks': ['L', 'A', 'G', 'V', 'S', 'E', 'R', 'T', 'I', 'D', 'P', 'K', 'Q', 'N', 'F', 'Y', 'M', 'H', 'W', 'C', 'X', 'B', 'U', 'Z', 'O', '.', '-'] +} + +import itertools +class Alphabet(object): + def __init__( + self, + standard_toks: Sequence[str], + prepend_toks: Sequence[str] = ("", "", "", ""), + append_toks: Sequence[str] = ("", "", ""), + prepend_bos: bool = True, + append_eos: bool = False, + use_msa: bool = False, + ): + self.standard_toks = list(standard_toks) + self.prepend_toks = list(prepend_toks) + self.append_toks = list(append_toks) + self.prepend_bos = prepend_bos + self.append_eos = append_eos + self.use_msa = use_msa + + self.all_toks = list(self.prepend_toks) + self.all_toks.extend(self.standard_toks) + for i in range((8 - (len(self.all_toks) % 8)) % 8): + self.all_toks.append(f"") + self.all_toks.extend(self.append_toks) + + self.tok_to_idx = {tok: i for i, tok in enumerate(self.all_toks)} + + self.unk_idx = self.tok_to_idx[""] + self.padding_idx = self.get_idx("") + self.cls_idx = self.get_idx("") + self.mask_idx = self.get_idx("") + self.eos_idx = self.get_idx("") + self.all_special_tokens = ['', '', '', '', ''] + self.unique_no_split_tokens = self.all_toks + + def __len__(self): + return len(self.all_toks) + + def get_idx(self, tok): + return self.tok_to_idx.get(tok, self.unk_idx) + + def get_tok(self, ind): + return self.all_toks[ind] + + def to_dict(self): + return self.tok_to_idx.copy() + + def get_batch_converter(self): + return BatchConverter(self) + + @classmethod + def from_architecture(cls) -> "Alphabet": + standard_toks = proteinseq_toks["toks"] + prepend_toks = ("", "", "", "") + append_toks = ("", "", "") + prepend_bos = True + append_eos = False + use_msa = False + return cls(standard_toks, prepend_toks, append_toks, prepend_bos, append_eos, use_msa) + + def _tokenize(self, text) -> str: + return text.split() + + def tokenize(self, text, **kwargs) -> List[str]: + """ + Inspired by https://github.com/huggingface/transformers/blob/master/src/transformers/tokenization_utils.py + Converts a string in a sequence of tokens, using the tokenizer. + + Args: + text (:obj:`str`): + The sequence to be encoded. + + Returns: + :obj:`List[str]`: The list of tokens. + """ + + def split_on_token(tok, text): + result = [] + split_text = text.split(tok) + for i, sub_text in enumerate(split_text): + # AddedToken can control whitespace stripping around them. + # We use them for GPT2 and Roberta to have different behavior depending on the special token + # Cf. https://github.com/huggingface/transformers/pull/2778 + # and https://github.com/huggingface/transformers/issues/3788 + # We strip left and right by default + if i < len(split_text) - 1: + sub_text = sub_text.rstrip() + if i > 0: + sub_text = sub_text.lstrip() + + if i == 0 and not sub_text: + result.append(tok) + elif i == len(split_text) - 1: + if sub_text: + result.append(sub_text) + else: + pass + else: + if sub_text: + result.append(sub_text) + result.append(tok) + return result + + def split_on_tokens(tok_list, text): + if not text.strip(): + return [] + + tokenized_text = [] + text_list = [text] + for tok in tok_list: + tokenized_text = [] + for sub_text in text_list: + if sub_text not in self.unique_no_split_tokens: + tokenized_text.extend(split_on_token(tok, sub_text)) + else: + tokenized_text.append(sub_text) + text_list = tokenized_text + + return list( + itertools.chain.from_iterable( + ( + self._tokenize(token) + if token not in self.unique_no_split_tokens + else [token] + for token in tokenized_text + ) + ) + ) + + no_split_token = self.unique_no_split_tokens + tokenized_text = split_on_tokens(no_split_token, text) + return tokenized_text + + def encode(self, text): + return [self.tok_to_idx[tok] for tok in self.tokenize(text)] diff --git a/Flexpert-Design/src/modules/gca_module.py b/Flexpert-Design/src/modules/gca_module.py new file mode 100644 index 0000000000000000000000000000000000000000..78c83aae6e8a843b21ff44d8e9a7e4842cb6874a --- /dev/null +++ b/Flexpert-Design/src/modules/gca_module.py @@ -0,0 +1,80 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F + +from .graphtrans_module import Normalize, PositionWiseFeedForward, NeighborAttention + + +class Local_Module(nn.Module): + def __init__(self, num_hidden, num_in, is_attention, dropout=0.1, scale=30): + super(Local_Module, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.is_attention = is_attention + self.scale = scale + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([Normalize(num_hidden) for _ in range(2)]) + self.W = nn.Sequential(*[ + nn.Linear(num_hidden + num_in, num_hidden), + nn.LeakyReLU(inplace=True), + nn.Linear(num_hidden, num_hidden), + nn.LeakyReLU(inplace=True), + nn.Linear(num_hidden, num_hidden) + ]) + self.A = nn.Parameter(torch.empty(size=(num_hidden + num_in, 1))) + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, mask_V=None, mask_attend=None): + ''' + h_V: [batch, num_nodes, 128] + h_E: [batch, num_nodes, K, 128] + mask_V: [batch, num_nodes] + mask_attend: [batch, num_nodes, K] + ''' + # 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) + # get message + h_message = self.W(h_EV) # [4, 312, 30, 384]-->[4, 312, 30, 128] + # Attention + if self.is_attention == 0: + e = F.sigmoid(F.leaky_relu(torch.matmul(h_EV, self.A))).squeeze(-1).exp() # [4, 312, 30, 384]-->[4, 312, 30] + e = e / e.sum(-1).unsqueeze(-1) # [4, 312, 30] + h_message = h_message * e.unsqueeze(-1) # [4, 312, 30, 128] + + if mask_attend is not None: + h_message = mask_attend.unsqueeze(-1) * h_message + + # message aggragation + dh = torch.sum(h_message, -2) / self.scale # [4, 312, 128] + + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + + if mask_V is not None: + mask_V = mask_V.unsqueeze(-1) + h_V = mask_V * h_V + return h_V + + +class Global_Module(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, dropout=0.1): + super(Global_Module, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.num_in = num_in + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([Normalize(num_hidden) for _ in range(2)]) + self.attention = NeighborAttention(num_hidden, num_in, num_heads) + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, mask_V=None, mask_attend=None): + dh = self.attention(h_V, h_E, mask_attend) + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + if mask_V is not None: + mask_V = mask_V.unsqueeze(-1) + h_V = mask_V * h_V + return h_V \ No newline at end of file diff --git a/Flexpert-Design/src/modules/graphtrans_module.py b/Flexpert-Design/src/modules/graphtrans_module.py new file mode 100644 index 0000000000000000000000000000000000000000..c50b1428ed22e4e9d90db47b2129fd6f37979210 --- /dev/null +++ b/Flexpert-Design/src/modules/graphtrans_module.py @@ -0,0 +1,602 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F +import numpy as np + + +class PositionalEncodings(nn.Module): + def __init__(self, num_embeddings, period_range = None): + if period_range is None: + period_range = [2,1000] + super(PositionalEncodings, self).__init__() + self.num_embeddings = num_embeddings + self.period_range = period_range + + def forward(self, E_idx): + N_nodes = E_idx.size(1) + ii = torch.arange(N_nodes, dtype=torch.float32, device = E_idx.device).view((1, -1, 1)) + d = (E_idx.float() - ii).unsqueeze(-1) + # Original Transformer frequencies + frequency = torch.exp(torch.arange(0, self.num_embeddings, 2, dtype=torch.float32, device = E_idx.device) * -(np.log(10000.0) / self.num_embeddings)) + + angles = d * frequency.view((1,1,1,-1)) + return torch.cat((torch.cos(angles), torch.sin(angles)), -1) + +class ProteinFeatures(nn.Module): + def __init__(self, edge_features, node_features, num_positional_embeddings=16, num_rbf=16, top_k=30, features_type='full', augment_eps=0., dropout=0.1): + super(ProteinFeatures, self).__init__() + """Extract Protein Features""" + 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 + + ## Feature types ## + self.features_type = features_type + self.feature_dimensions = { + 'coarse': (3, num_positional_embeddings + num_rbf + 7), + 'full': (6, num_positional_embeddings + num_rbf + 7), + 'dist': (6, num_positional_embeddings + num_rbf), + 'hbonds': (3, 2 * num_positional_embeddings)} + + ## Positional encoding ## + self.embeddings = PositionalEncodings(num_positional_embeddings) + self.dropout = nn.Dropout(dropout) + + ## Normalization and embedding ## + node_in, edge_in = self.feature_dimensions[features_type] + self.node_embedding = nn.Linear(node_in, node_features, bias=True) + self.edge_embedding = nn.Linear(edge_in, edge_features, bias=True) + self.norm_nodes = Normalize(node_features) + self.norm_edges = Normalize(edge_features) + + def _dist(self, X, mask, eps=1E-6): + """ Pairwise Euclidean Distance """ + mask_2D = torch.unsqueeze(mask,1) * torch.unsqueeze(mask,2) + dX = torch.unsqueeze(X,1) - torch.unsqueeze(X,2) + D = (1. - mask_2D)*10000 + 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+1) + D_neighbors, E_idx = torch.topk(D_adjust, min(self.top_k, D_adjust.shape[-1]), dim=-1, largest=False) + mask_neighbors = gather_edges(mask_2D.unsqueeze(-1), E_idx) + + return D_neighbors, E_idx, mask_neighbors + + def _rbf(self, D): + """ Distance Radial Basis Function """ + D_min, D_max, D_count = 0., 20., self.num_rbf + D_mu = torch.linspace(D_min, D_max, D_count, device=D.device) + D_mu = D_mu.view([1,1,1,-1]) + D_sigma = (D_max - D_min) / D_count + D_expand = torch.unsqueeze(D, -1) + return torch.exp(-((D_expand - D_mu) / D_sigma)**2) # return RBF + + def _quaternions(self, R): + """ Convert a batch of 3D rotations [R] to quaternions [Q] """ + 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 + 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 _contacts(self, D_neighbors, mask_neighbors, cutoff=8): + """ Contacts """ + D_neighbors = D_neighbors.unsqueeze(-1) + return mask_neighbors * (D_neighbors < cutoff).type(torch.float32) # return neighbor_C + + def _hbonds(self, X, E_idx, mask_neighbors, eps=1E-3): + """ Hydrogen bonds and contact map """ + X_atoms = dict(zip(['N', 'CA', 'C', 'O'], torch.unbind(X, 2))) + + # Virtual hydrogens + X_atoms['C_prev'] = F.pad(X_atoms['C'][:,1:,:], (0,0,0,1), 'constant', 0) + X_atoms['H'] = X_atoms['N'] + F.normalize( + F.normalize(X_atoms['N'] - X_atoms['C_prev'], -1) + + F.normalize(X_atoms['N'] - X_atoms['CA'], -1) + , -1) + + def _distance(X_a, X_b): + return torch.norm(X_a[:,None,:,:] - X_b[:,:,None,:], dim=-1) + + def _inv_distance(X_a, X_b): + return 1. / (_distance(X_a, X_b) + eps) + + U = (0.084 * 332) * ( + _inv_distance(X_atoms['O'], X_atoms['N']) + + _inv_distance(X_atoms['C'], X_atoms['H']) + - _inv_distance(X_atoms['O'], X_atoms['H']) + - _inv_distance(X_atoms['C'], X_atoms['N']) + ) + + HB = (U < -0.5).type(torch.float32) + neighbor_HB = mask_neighbors * gather_edges(HB.unsqueeze(-1), E_idx) + return neighbor_HB + + def _orientations_coarse(self, X, E_idx, eps=1e-6): + # Pair features + + # Shifted slices of unit vectors + dX = X[:,1:,:] - X[:,:-1,:] + U = F.normalize(dX, dim=-1) + u_2 = U[:,:-2,:] + u_1 = U[:,1:-1,:] + u_0 = U[:,2:,:] + # Backbone normals + n_2 = F.normalize(torch.cross(u_2, u_1), dim=-1) + n_1 = F.normalize(torch.cross(u_1, u_0), dim=-1) + + # Bond angle calculation + cosA = -(u_1 * u_0).sum(-1) + cosA = torch.clamp(cosA, -1+eps, 1-eps) + A = torch.acos(cosA) + # Angle between normals + cosD = (n_2 * n_1).sum(-1) + cosD = torch.clamp(cosD, -1+eps, 1-eps) + D = torch.sign((u_2 * n_1).sum(-1)) * torch.acos(cosD) + # Backbone features + AD_features = torch.stack((torch.cos(A), torch.sin(A) * torch.cos(D), torch.sin(A) * torch.sin(D)), 2) + AD_features = F.pad(AD_features, (0,0,1,2), 'constant', 0) + + # Build relative orientations + o_1 = F.normalize(u_2 - u_1, dim=-1) + O = torch.stack((o_1, n_2, torch.cross(o_1, n_2)), 2) + O = O.view(list(O.shape[:2]) + [9]) + O = F.pad(O, (0,0,1,2), 'constant', 0) + + O_neighbors = gather_nodes(O, E_idx) + X_neighbors = gather_nodes(X, E_idx) + + # Re-view as rotation matrices + O = O.view(list(O.shape[:2]) + [3,3]) + O_neighbors = O_neighbors.view(list(O_neighbors.shape[:3]) + [3,3]) + + # Rotate into local reference frames + dX = X_neighbors - X.unsqueeze(-2) + dU = torch.matmul(O.unsqueeze(2), dX.unsqueeze(-1)).squeeze(-1) + dU = F.normalize(dU, dim=-1) + R = torch.matmul(O.unsqueeze(2).transpose(-1,-2), O_neighbors) + Q = self._quaternions(R) + + # Orientation features + O_features = torch.cat((dU,Q), dim=-1) + + return AD_features, O_features + + def _dihedrals(self, X, eps=1e-7): + # First 3 coordinates are N, CA, C + X = X[:,:,:3,:].reshape(X.shape[0], 3*X.shape[1], 3) + + # Shifted slices of unit vectors + dX = X[:,1:,:] - X[:,:-1,:] + U = F.normalize(dX, dim=-1) + u_2 = U[:,:-2,:] + u_1 = U[:,1:-1,:] + u_0 = U[:,2:,:] + # Backbone normals + n_2 = F.normalize(torch.cross(u_2, u_1), dim=-1) + n_1 = F.normalize(torch.cross(u_1, u_0), dim=-1) + + # Angle between normals + cosD = (n_2 * n_1).sum(-1) + cosD = torch.clamp(cosD, -1+eps, 1-eps) + D = torch.sign((u_2 * n_1).sum(-1)) * torch.acos(cosD) + + # This scheme will remove phi[0], psi[-1], omega[-1] + D = F.pad(D, (1,2), 'constant', 0) + D = D.view((D.size(0), int(D.size(1)/3), 3)) + + return torch.cat((torch.cos(D), torch.sin(D)), 2) # return D_features + + def forward(self, X, L, mask): + """ Featurize coordinates as an attributed graph """ + + # Data augmentation + if self.training and self.augment_eps > 0: + X = X + self.augment_eps * torch.randn_like(X) + + # Build k-Nearest Neighbors graph + X_ca = X[:,:,1,:] # [32, 483, 3] + D_neighbors, E_idx, mask_neighbors = self._dist(X_ca, mask) # [32, 483, 30], [32, 483, 30], [32, 483, 30, 1] + + # Pairwise features + AD_features, O_features = self._orientations_coarse(X_ca, E_idx) # [32, 483, 3], [32, 483, 30, 7] + RBF = self._rbf(D_neighbors) # [32, 483, 30, 16] + + # Pairwise embeddings + E_positional = self.embeddings(E_idx) # [32, 483, 30, 16] + + if self.features_type == 'coarse': + # Coarse backbone features + V = AD_features + E = torch.cat((E_positional, RBF, O_features), -1) + elif self.features_type == 'hbonds': + # Hydrogen bonds and contacts + neighbor_HB = self._hbonds(X, E_idx, mask_neighbors) + neighbor_C = self._contacts(D_neighbors, E_idx, mask_neighbors) + # Dropout + neighbor_C = self.dropout(neighbor_C) + neighbor_HB = self.dropout(neighbor_HB) + # Pack + V = mask.unsqueeze(-1) * torch.ones_like(AD_features) + neighbor_C = neighbor_C.expand(-1,-1,-1, int(self.num_positional_embeddings / 2)) + neighbor_HB = neighbor_HB.expand(-1,-1,-1, int(self.num_positional_embeddings / 2)) + E = torch.cat((E_positional, neighbor_C, neighbor_HB), -1) + elif self.features_type == 'full': + # Full backbone angles + V = self._dihedrals(X) # [32, 483, 6] + E = torch.cat((E_positional, RBF, O_features), -1) # [32, 483, 30, 39] + elif self.features_type == 'dist': + # Full backbone angles + V = self._dihedrals(X) + E = torch.cat((E_positional, RBF), -1) + + # Embed the nodes + V = self.node_embedding(V) # [32, 483, 6] --> [32, 483, 128] + V = self.norm_nodes(V) # [32, 483, 128] --> [32, 483, 128] + E = self.edge_embedding(E) # [32, 483, 30, 39] --> [32, 483, 30, 128] + E = self.norm_edges(E) # [32, 483, 30, 128] --> [32, 483, 30, 128] + + return V, E, E_idx + + +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)) + return 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)) # [32, 14460, 1] + # Gather and re-pack + neighbor_features = torch.gather(nodes, 1, neighbors_flat) # [32, 14460, 1] + neighbor_features = neighbor_features.view(list(neighbor_idx.shape)[:3] + [-1]) # [32, 482, 30, 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)) + return torch.gather(nodes, 1, idx_flat) # return node features + +def cat_neighbors_nodes(h_nodes, h_neighbors, E_idx): + h_nodes = gather_nodes(h_nodes, E_idx) + return torch.cat([h_neighbors, h_nodes], -1) + + +class TransformerLayer(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, dropout=0.1): + super(TransformerLayer, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.num_in = num_in + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([Normalize(num_hidden) for _ in range(2)]) + + self.attention = NeighborAttention(num_hidden, num_in, num_heads) + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, mask_V=None, mask_attend=None): # h_V: [32, 482, 128], h_E: [32, 482, 30, 256], mask_V: [32, 482], mask_attend: [32, 482, 30] + """ Parallel computation of full transformer layer """ + # Self-attention + dh = self.attention(h_V, h_E, mask_attend) + h_V = self.norm[0](h_V + self.dropout(dh)) + + # Position-wise feedforward + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + + if mask_V is not None: + mask_V = mask_V.unsqueeze(-1) + h_V = mask_V * h_V + return h_V + + def step(self, t, h_V, h_E, mask_V=None, mask_attend=None): + """ Sequential computation of step t of a transformer layer """ + # Self-attention + h_V_t = h_V[:,t,:] + dh_t = self.attention.step(t, h_V, h_E, mask_attend) + h_V_t = self.norm[0](h_V_t + self.dropout(dh_t)) + + # Position-wise feedforward + dh_t = self.dense(h_V_t) + h_V_t = self.norm[1](h_V_t + self.dropout(dh_t)) + + if mask_V is not None: + mask_V_t = mask_V[:,t].unsqueeze(-1) + h_V_t = mask_V_t * h_V_t + return h_V_t + + +class MPNNLayer(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(MPNNLayer, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([Normalize(num_hidden) for _ in range(2)]) + + 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.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(F.relu(self.W2(F.relu(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.norm[0](h_V + self.dropout(dh)) + + # Position-wise feedforward + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + + if mask_V is not None: + mask_V = mask_V.unsqueeze(-1) + h_V = mask_V * h_V + return h_V + + +class Normalize(nn.Module): + def __init__(self, features, epsilon=1e-6): + super(Normalize, self).__init__() + self.gain = nn.Parameter(torch.ones(features)) + self.bias = nn.Parameter(torch.zeros(features)) + self.epsilon = epsilon + + def forward(self, x, dim=-1): + mu = x.mean(dim, keepdim=True) + sigma = torch.sqrt(x.var(dim, keepdim=True) + self.epsilon) + gain = self.gain + bias = self.bias + # Reshape + if dim != -1: + shape = [1] * len(mu.size()) + shape[dim] = self.gain.size()[0] + gain = gain.view(shape) + bias = bias.view(shape) + return gain * (x - mu) / (sigma + self.epsilon) + bias + + +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) + + def forward(self, h_V): + h = F.relu(self.W_in(h_V)) + h = self.W_out(h) + return h + + +class NeighborAttention(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4): + super(NeighborAttention, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + + # Self-attention layers: {queries, keys, values, output} + self.W_Q = nn.Linear(num_hidden, num_hidden, bias=False) + self.W_K = nn.Linear(num_in, num_hidden, bias=False) + self.W_V = nn.Linear(num_in, num_hidden, bias=False) + self.W_O = nn.Linear(num_hidden, num_hidden, bias=False) + return + + def _masked_softmax(self, attend_logits, mask_attend, dim=-1): + """ Numerically stable masked softmax """ + negative_inf = np.finfo(np.float32).min + attend_logits = torch.where(mask_attend > 0, attend_logits, torch.tensor(negative_inf, device=attend_logits.device)) + attend = F.softmax(attend_logits, dim) + attend = mask_attend * attend + return attend + + def forward(self, h_V, h_E, mask_attend=None): + """ Self-attention, graph-structured O(Nk) + Args: + h_V: Node features [N_batch, N_nodes, N_hidden] + h_E: Neighbor features [N_batch, N_nodes, K, 3*N_hidden] + mask_attend: Mask for attention [N_batch, N_nodes, K] + Returns: + h_V: Node update + """ + + # Queries, Keys, Values + n_batch, n_nodes, n_neighbors = h_E.shape[:3] + n_heads = self.num_heads + + d = int(self.num_hidden / n_heads) + Q = self.W_Q(h_V).view([n_batch, n_nodes, 1, n_heads, 1, d]) + K = self.W_K(h_E).view([n_batch, n_nodes, n_neighbors, n_heads, d, 1]) + V = self.W_V(h_E).view([n_batch, n_nodes, n_neighbors, n_heads, d]) + + # Attention with scaled inner product + # n_neighbors这个维度提供attention权重,该权重可以视为邻居点和中心点做点积而得到 + attend_logits = torch.matmul(Q, K).view([n_batch, n_nodes, n_neighbors, n_heads]).transpose(-2,-1) + attend_logits = attend_logits / np.sqrt(d) # [N_batch, N_nodes, n_heads, K] + + if mask_attend is not None: + # Masked softmax + mask = mask_attend.unsqueeze(2).expand(-1,-1,n_heads,-1) # [N_batch, N_nodes, n_heads, K] + attend = self._masked_softmax(attend_logits, mask) + else: + attend = F.softmax(attend_logits, -1) + + # Attentive reduction + h_V_update = torch.matmul(attend.unsqueeze(-2), V.transpose(2,3)) # [32, 482, 4, 1, 30], [32, 482, 4, 30, 32] --> [32, 482, 4, 1, 32] 相当于信息汇聚操作 + h_V_update = h_V_update.view([n_batch, n_nodes, self.num_hidden]) + h_V_update = self.W_O(h_V_update) + return h_V_update + + def step(self, t, h_V, h_E, E_idx, mask_attend=None): + """ Self-attention for a specific time step t + Args: + h_V: Node features [N_batch, N_nodes, N_hidden] + h_E: Neighbor features [N_batch, N_nodes, K, N_in] + E_idx: Neighbor indices [N_batch, N_nodes, K] + mask_attend: Mask for attention [N_batch, N_nodes, K] + Returns: + h_V_t: Node update + """ + # Dimensions + n_batch, n_nodes, n_neighbors = h_E.shape[:3] + n_heads = self.num_heads + d = self.num_hidden / n_heads + + # Per time-step tensors + h_V_t = h_V[:,t,:] + h_E_t = h_E[:,t,:,:] + E_idx_t = E_idx[:,t,:] + + # Single time-step + h_V_neighbors_t = gather_nodes_t(h_V, E_idx_t) + E_t = torch.cat([h_E_t, h_V_neighbors_t], -1) + + # Queries, Keys, Values + Q = self.W_Q(h_V_t).view([n_batch, 1, n_heads, 1, d]) + K = self.W_K(E_t).view([n_batch, n_neighbors, n_heads, d, 1]) + V = self.W_V(E_t).view([n_batch, n_neighbors, n_heads, d]) + + # Attention with scaled inner product + attend_logits = torch.matmul(Q, K).view([n_batch, n_neighbors, n_heads]).transpose(-2,-1) + attend_logits = attend_logits / np.sqrt(d) + + if mask_attend is not None: + # Masked softmax + # [N_batch, K] -=> [N_batch, N_heads, K] + mask_t = mask_attend[:,t,:].unsqueeze(1).expand(-1,n_heads,-1) + attend = self._masked_softmax(attend_logits, mask_t) + else: + attend = F.softmax(attend_logits / np.sqrt(d), -1) + + # Attentive reduction + h_V_t_update = torch.matmul(attend.unsqueeze(-2), V.transpose(1,2)) + return h_V_t_update + + +class Struct2Seq(nn.Module): + def __init__(self, num_letters, node_features, edge_features, + hidden_dim, num_encoder_layers=3, num_decoder_layers=3, + vocab=33, k_neighbors=30, protein_features='full', augment_eps=0., + dropout=0.1, forward_attention_decoder=True, use_mpnn=False): + """ Graph labeling network """ + super(Struct2Seq, self).__init__() + + # Hyperparameters + self.node_features = node_features + self.edge_features = edge_features + self.hidden_dim = hidden_dim + + + # Embedding layers + self.W_v = nn.Linear(node_features, hidden_dim, bias=True) + self.W_e = nn.Linear(edge_features, hidden_dim, bias=True) + self.W_s = nn.Embedding(vocab, hidden_dim) + layer = MPNNLayer if use_mpnn else TransformerLayer + + # Encoder layers + self.encoder_layers = nn.ModuleList([ + layer(hidden_dim, hidden_dim*2, dropout=dropout) + for _ in range(num_encoder_layers) + ]) + + # Decoder layers + self.forward_attention_decoder = forward_attention_decoder + self.decoder_layers = nn.ModuleList([ + layer(hidden_dim, hidden_dim*3, dropout=dropout) + for _ in range(num_decoder_layers) + ]) + self.W_out = nn.Linear(hidden_dim, num_letters, bias=True) + + # Initialization + for p in self.parameters(): + if p.dim() > 1: + nn.init.xavier_uniform_(p) + + def _autoregressive_mask(self, E_idx): + N_nodes = E_idx.size(1) + ii = torch.arange(N_nodes, device=E_idx.device) + ii = ii.view((1, -1, 1)) + mask = E_idx < ii + mask = mask.type(torch.float32) + + return mask + + def forward_sequential(self, X, S, L, mask=None): + """ Compute the transformer layer sequentially, for purposes of debugging """ + if self.args.augment_eps>0: + X = X + self.args.augment_eps * torch.randn_like(X) + # Prepare node and edge embeddings + V, E, E_idx = self.features(X, L, mask) + + h_V = self.W_v(V) + 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_EV = cat_neighbors_nodes(h_V, h_E, E_idx) + h_V = layer(h_V, h_EV, mask_V=mask, mask_attend=mask_attend) + + # Decoder alternates masked self-attention + mask_attend = self._autoregressive_mask(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, 20)) + h_S = torch.zeros_like(h_V) + h_V_stack = [h_V] + [torch.zeros_like(h_V) for _ in range(len(self.decoder_layers))] + for t in range(N_nodes): + # Hidden layers + 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) + # Stale relational features for future states + h_ESV_encoder_t = mask_fw[:,t:t+1,:,:] * cat_neighbors_nodes(h_V, h_ES_t, E_idx_t) + + 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 = h_V_stack[l][:,t:t+1,:] + h_ESV_t = mask_bw[:,t:t+1,:,:] * h_ESV_decoder_t + h_ESV_encoder_t + h_V_stack[l+1][:,t,:] = layer( + h_V_t, h_ESV_t, mask_V=mask[:,t:t+1] + ).squeeze(1) + + # Sampling step + h_V_t = h_V_stack[-1][:,t,:] + logits = self.W_out(h_V_t) + log_probs[:,t,:] = F.log_softmax(logits, dim=-1) + + # Update + h_S[:,t,:] = self.W_s(S[:,t]) + return log_probs \ No newline at end of file diff --git a/Flexpert-Design/src/modules/gvp_module.py b/Flexpert-Design/src/modules/gvp_module.py new file mode 100644 index 0000000000000000000000000000000000000000..119fcb0647b82722c8a966f6434c8d91c78ff2cd --- /dev/null +++ b/Flexpert-Design/src/modules/gvp_module.py @@ -0,0 +1,359 @@ +import functools + +import torch +import torch.nn as nn +import torch.nn.functional as F +from torch_geometric.nn import MessagePassing +# from torch_scatter import scatter_add +from torch_geometric.utils import scatter + + +def _norm_no_nan(x, axis=-1, keepdims=False, eps=1e-8, sqrt=True): + ''' + L2 norm of tensor clamped above a minimum value `eps`. + + :param sqrt: if `False`, returns the square of the L2 norm + ''' + out = torch.clamp(torch.sum(torch.square(x), axis, keepdims), min=eps) + return torch.sqrt(out) if sqrt else out + +class GVP(nn.Module): + ''' + :param in_dims: tuple (n_scalar, n_vector) + :param out_dims: tuple (n_scalar, n_vector) + :param h_dim: intermediate number of vector channels, optional + :param activations: tuple of functions (scalar_act, vector_act) + :param vector_gate: whether to use vector gating. + (vector_act will be used as sigma^+ in vector gating if `True`) + ''' + def __init__(self, in_dims, out_dims, h_dim=None, + activations=(F.relu, torch.sigmoid), vector_gate=False): + super(GVP, self).__init__() + self.si, self.vi = in_dims + self.so, self.vo = out_dims + self.vector_gate = vector_gate + if self.vi: + self.h_dim = h_dim or max(self.vi, self.vo) + self.wh = nn.Linear(self.vi, self.h_dim, bias=False) + self.ws = nn.Linear(self.h_dim + self.si, self.so) + if self.vo: + self.wv = nn.Linear(self.h_dim, self.vo, bias=False) + if self.vector_gate: self.wsv = nn.Linear(self.so, self.vo) + else: + self.ws = nn.Linear(self.si, self.so) + + self.scalar_act, self.vector_act = activations + self.dummy_param = nn.Parameter(torch.empty(0)) + + def forward(self, x): + ''' + :param x: tuple (s, V) of `torch.Tensor`, + or (if vectors_in is 0), a single `torch.Tensor` + :return: tuple (s, V) of `torch.Tensor`, + or (if vectors_out is 0), a single `torch.Tensor` + ''' + if self.vi: + s, v = x + v = torch.transpose(v, -1, -2) + vh = self.wh(v) + vn = _norm_no_nan(vh, axis=-2) + s = self.ws(torch.cat([s, vn], -1)) + if self.vo: + v = self.wv(vh) + v = torch.transpose(v, -1, -2) + if self.vector_gate: + gate = self.wsv(self.vector_act(s)) if self.vector_act else self.wsv(s) + v = v * torch.sigmoid(gate).unsqueeze(-1) + elif self.vector_act: + v = v * self.vector_act( + _norm_no_nan(v, axis=-1, keepdims=True)) + else: + s = self.ws(x) + if self.vo: + v = torch.zeros(s.shape[0], self.vo, 3, + device=self.dummy_param.device) + if self.scalar_act: + s = self.scalar_act(s) + + return (s, v) if self.vo else s + +def _split(x, nv): + ''' + Splits a merged representation of (s, V) back into a tuple. + Should be used only with `_merge(s, V)` and only if the tuple + representation cannot be used. + + :param x: the `torch.Tensor` returned from `_merge` + :param nv: the number of vector channels in the input to `_merge` + ''' + v = torch.reshape(x[..., -3*nv:], x.shape[:-1] + (nv, 3)) + s = x[..., :-3*nv] + return s, v + +def tuple_cat(*args, dim=-1): + ''' + Concatenates any number of tuples (s, V) elementwise. + + :param dim: dimension along which to concatenate when viewed + as the `dim` index for the scalar-channel tensors. + This means that `dim=-1` will be applied as + `dim=-2` for the vector-channel tensors. + ''' + dim %= len(args[0][0].shape) + s_args, v_args = list(zip(*args)) + return torch.cat(s_args, dim=dim), torch.cat(v_args, dim=dim) + +def _merge(s, v): + ''' + Merges a tuple (s, V) into a single `torch.Tensor`, where the + vector channels are flattened and appended to the scalar channels. + Should be used only if the tuple representation cannot be used. + Use `_split(x, nv)` to reverse. + ''' + v = torch.reshape(v, v.shape[:-2] + (3*v.shape[-2],)) + return torch.cat([s, v], -1) + +class GVPConv(MessagePassing): + ''' + Graph convolution / message passing with Geometric Vector Perceptrons. + Takes in a graph with node and edge embeddings, + and returns new node embeddings. + + This does NOT do residual updates and pointwise feedforward layers + ---see `GVPConvLayer`. + + :param in_dims: input node embedding dimensions (n_scalar, n_vector) + :param out_dims: output node embedding dimensions (n_scalar, n_vector) + :param edge_dims: input edge embedding dimensions (n_scalar, n_vector) + :param n_layers: number of GVPs in the message function + :param module_list: preconstructed message function, overrides n_layers + :param aggr: should be "add" if some incoming edges are masked, as in + a masked autoregressive decoder architecture, otherwise "mean" + :param activations: tuple of functions (scalar_act, vector_act) to use in GVPs + :param vector_gate: whether to use vector gating. + (vector_act will be used as sigma^+ in vector gating if `True`) + ''' + def __init__(self, in_dims, out_dims, edge_dims, + n_layers=3, module_list=None, aggr="mean", + activations=(F.relu, torch.sigmoid), vector_gate=False): + super(GVPConv, self).__init__(aggr=aggr) + self.si, self.vi = in_dims + self.so, self.vo = out_dims + self.se, self.ve = edge_dims + + GVP_ = functools.partial(GVP, + activations=activations, vector_gate=vector_gate) + + module_list = module_list or [] + if not module_list: + if n_layers == 1: + module_list.append( + GVP_((2*self.si + self.se, 2*self.vi + self.ve), + (self.so, self.vo), activations=(None, None))) + else: + module_list.append( + GVP_((2*self.si + self.se, 2*self.vi + self.ve), out_dims) + ) + for i in range(n_layers - 2): + module_list.append(GVP_(out_dims, out_dims)) + module_list.append(GVP_(out_dims, out_dims, + activations=(None, None))) + self.message_func = nn.Sequential(*module_list) + + def forward(self, x, edge_index, edge_attr): + ''' + :param x: tuple (s, V) of `torch.Tensor` + :param edge_index: array of shape [2, n_edges] + :param edge_attr: tuple (s, V) of `torch.Tensor` + ''' + x_s, x_v = x + message = self.propagate(edge_index, + s=x_s, v=x_v.reshape(x_v.shape[0], 3*x_v.shape[1]), + edge_attr=edge_attr) + return _split(message, self.vo) + + def message(self, s_i, v_i, s_j, v_j, edge_attr): + v_j = v_j.view(v_j.shape[0], v_j.shape[1]//3, 3) + v_i = v_i.view(v_i.shape[0], v_i.shape[1]//3, 3) + message = tuple_cat((s_j, v_j), edge_attr, (s_i, v_i)) + message = self.message_func(message) + return _merge(*message) + + +def tuple_index(x, idx): + ''' + Indexes into a tuple (s, V) along the first dimension. + + :param idx: any object which can be used to index into a `torch.Tensor` + ''' + return x[0][idx], x[1][idx] + +def tuple_sum(*args): + ''' + Sums any number of tuples (s, V) elementwise. + ''' + return tuple(map(sum, zip(*args))) + +class _VDropout(nn.Module): + ''' + Vector channel dropout where the elements of each + vector channel are dropped together. + ''' + def __init__(self, drop_rate): + super(_VDropout, self).__init__() + self.drop_rate = drop_rate + self.dummy_param = nn.Parameter(torch.empty(0)) + + def forward(self, x): + ''' + :param x: `torch.Tensor` corresponding to vector channels + ''' + device = self.dummy_param.device + if not self.training: + return x + mask = torch.bernoulli( + (1 - self.drop_rate) * torch.ones(x.shape[:-1], device=device) + ).unsqueeze(-1) + x = mask * x / (1 - self.drop_rate) + return x + +class Dropout(nn.Module): + ''' + Combined dropout for tuples (s, V). + Takes tuples (s, V) as input and as output. + ''' + def __init__(self, drop_rate): + super(Dropout, self).__init__() + self.sdropout = nn.Dropout(drop_rate) + self.vdropout = _VDropout(drop_rate) + + def forward(self, x): + ''' + :param x: tuple (s, V) of `torch.Tensor`, + or single `torch.Tensor` + (will be assumed to be scalar channels) + ''' + if type(x) is torch.Tensor: + return self.sdropout(x) + s, v = x + return self.sdropout(s), self.vdropout(v) + +class LayerNorm(nn.Module): + ''' + Combined LayerNorm for tuples (s, V). + Takes tuples (s, V) as input and as output. + ''' + def __init__(self, dims): + super(LayerNorm, self).__init__() + self.s, self.v = dims + self.scalar_norm = nn.LayerNorm(self.s) + + def forward(self, x): + ''' + :param x: tuple (s, V) of `torch.Tensor`, + or single `torch.Tensor` + (will be assumed to be scalar channels) + ''' + if not self.v: + return self.scalar_norm(x) + s, v = x + vn = _norm_no_nan(v, axis=-1, keepdims=True, sqrt=False) + vn = torch.sqrt(torch.mean(vn, dim=-2, keepdim=True)) + return self.scalar_norm(s), v / vn + +class GVPConvLayer(nn.Module): + ''' + Full graph convolution / message passing layer with + Geometric Vector Perceptrons. Residually updates node embeddings with + aggregated incoming messages, applies a pointwise feedforward + network to node embeddings, and returns updated node embeddings. + + To only compute the aggregated messages, see `GVPConv`. + + :param node_dims: node embedding dimensions (n_scalar, n_vector) + :param edge_dims: input edge embedding dimensions (n_scalar, n_vector) + :param n_message: number of GVPs to use in message function + :param n_feedforward: number of GVPs to use in feedforward function + :param drop_rate: drop probability in all dropout layers + :param autoregressive: if `True`, this `GVPConvLayer` will be used + with a different set of input node embeddings for messages + where src >= dst + :param activations: tuple of functions (scalar_act, vector_act) to use in GVPs + :param vector_gate: whether to use vector gating. + (vector_act will be used as sigma^+ in vector gating if `True`) + ''' + def __init__(self, node_dims, edge_dims, + n_message=3, n_feedforward=2, drop_rate=.1, + autoregressive=False, + activations=(F.relu, torch.sigmoid), vector_gate=False): + + super(GVPConvLayer, self).__init__() + self.conv = GVPConv(node_dims, node_dims, edge_dims, n_message, + aggr="add" if autoregressive else "mean", + activations=activations, vector_gate=vector_gate) + GVP_ = functools.partial(GVP, + activations=activations, vector_gate=vector_gate) + self.norm = nn.ModuleList([LayerNorm(node_dims) for _ in range(2)]) + self.dropout = nn.ModuleList([Dropout(drop_rate) for _ in range(2)]) + + ff_func = [] + if n_feedforward == 1: + ff_func.append(GVP_(node_dims, node_dims, activations=(None, None))) + else: + hid_dims = 4*node_dims[0], 2*node_dims[1] + ff_func.append(GVP_(node_dims, hid_dims)) + for i in range(n_feedforward-2): + ff_func.append(GVP_(hid_dims, hid_dims)) + ff_func.append(GVP_(hid_dims, node_dims, activations=(None, None))) + self.ff_func = nn.Sequential(*ff_func) + + def forward(self, x, edge_index, edge_attr, + autoregressive_x=None, node_mask=None): + ''' + :param x: tuple (s, V) of `torch.Tensor` + :param edge_index: array of shape [2, n_edges] + :param edge_attr: tuple (s, V) of `torch.Tensor` + :param autoregressive_x: tuple (s, V) of `torch.Tensor`. + If not `None`, will be used as src node embeddings + for forming messages where src >= dst. The corrent node + embeddings `x` will still be the base of the update and the + pointwise feedforward. + :param node_mask: array of type `bool` to index into the first + dim of node embeddings (s, V). If not `None`, only + these nodes will be updated. + ''' + + if autoregressive_x is not None: + src, dst = edge_index + mask = src < dst + edge_index_forward = edge_index[:, mask] + edge_index_backward = edge_index[:, ~mask] + edge_attr_forward = tuple_index(edge_attr, mask) + edge_attr_backward = tuple_index(edge_attr, ~mask) + + dh = tuple_sum( + self.conv(x, edge_index_forward, edge_attr_forward), + self.conv(autoregressive_x, edge_index_backward, edge_attr_backward) + ) + + count = scatter.scatter_add(torch.ones_like(dst), dst, + dim_size=dh[0].size(0)).clamp(min=1).unsqueeze(-1) + + dh = dh[0] / count, dh[1] / count.unsqueeze(-1) + + else: + dh = self.conv(x, edge_index, edge_attr) + + if node_mask is not None: + x_ = x + x, dh = tuple_index(x, node_mask), tuple_index(dh, node_mask) + + x = self.norm[0](tuple_sum(x, self.dropout[0](dh))) + + dh = self.ff_func(x) + x = self.norm[1](tuple_sum(x, self.dropout[1](dh))) + + if node_mask is not None: + x_[0][node_mask], x_[1][node_mask] = x[0], x[1] + x = x_ + return x \ No newline at end of file diff --git a/Flexpert-Design/src/modules/pifold_module.py b/Flexpert-Design/src/modules/pifold_module.py new file mode 100644 index 0000000000000000000000000000000000000000..b44319aef0e380548435e1ca68c28dde89997c74 --- /dev/null +++ b/Flexpert-Design/src/modules/pifold_module.py @@ -0,0 +1,1039 @@ +from ast import Global +from turtle import forward +import torch +import torch.nn as nn +import torch.nn.functional as F +# from torch_scatter import scatter_sum, scatter_softmax, scatter_mean +from torch_geometric.utils import scatter +import numpy as np +from src.tools.design_utils import gather_nodes +import math + + +class Normalize(nn.Module): + def __init__(self, features, epsilon=1e-6): + super(Normalize, self).__init__() + self.gain = nn.Parameter(torch.ones(features)) + self.bias = nn.Parameter(torch.zeros(features)) + self.epsilon = epsilon + + def forward(self, x, dim=-1): + mu = x.mean(dim, keepdim=True) + sigma = torch.sqrt(x.var(dim, keepdim=True) + self.epsilon) + gain = self.gain + bias = self.bias + # Reshape + if dim != -1: + shape = [1] * len(mu.size()) + shape[dim] = self.gain.size()[0] + gain = gain.view(shape) + bias = bias.view(shape) + return gain * (x - mu) / (sigma + self.epsilon) + bias + + +activation_maps = { + 'leakyrelu': nn.LeakyReLU(), + 'relu': nn.ReLU(), + 'silu': nn.SiLU(), + 'mish': nn.Mish(), + 'gelu': nn.GELU() +} + +def permute_final_dims(tensor, inds): + zero_index = -1 * len(inds) + first_inds = list(range(len(tensor.shape[:zero_index]))) + return tensor.permute(first_inds + [zero_index + i for i in inds]) + +from scipy.stats import truncnorm + +def _calculate_fan(linear_weight_shape, fan="fan_in"): + fan_out, fan_in = linear_weight_shape + if fan == "fan_in": + f = fan_in + elif fan == "fan_out": + f = fan_out + elif fan == "fan_avg": + f = (fan_in + fan_out) / 2 + else: + raise ValueError("Invalid fan option") + return f + +def _prod(nums): + out = 1 + for n in nums: + out = out * n + return out + +def trunc_normal_init_(weights, scale=1.0, fan="fan_in"): + shape = weights.shape + f = _calculate_fan(shape, fan) + scale = scale / max(1, f) + a = -2 + b = 2 + std = math.sqrt(scale) / truncnorm.std(a=a, b=b, loc=0, scale=1) + size = _prod(shape) + samples = truncnorm.rvs(a=a, b=b, loc=0, scale=std, size=size) + samples = np.reshape(samples, shape) + with torch.no_grad(): + weights.copy_(torch.tensor(samples, device=weights.device)) + +class Linear(nn.Linear): + """ + A Linear layer with built-in nonstandard initializations. Called just + like torch.nn.Linear. + Implements the initializers in 1.11.4, plus some additional ones found + in the code. + """ + + def __init__( + self, + in_dim, + out_dim, + bias=True, + init="default", + init_fn=None, + ): + """ + Args: + in_dim: + The final dimension of inputs to the layer + out_dim: + The final dimension of layer outputs + bias: + Whether to learn an additive bias. True by default + init: + The initializer to use. Choose from: + "default": LeCun fan-in truncated normal initialization + "relu": He initialization w/ truncated normal distribution + "glorot": Fan-average Glorot uniform initialization + "gating": Weights=0, Bias=1 + "normal": Normal initialization with std=1/sqrt(fan_in) + "final": Weights=0, Bias=0 + Overridden by init_fn if the latter is not None. + init_fn: + A custom initializer taking weight and bias as inputs. + Overrides init if not None. + """ + super(Linear, self).__init__(in_dim, out_dim, bias=bias) + + if bias: + with torch.no_grad(): + self.bias.fill_(0) + + if init_fn is not None: + init_fn(self.weight, self.bias) + else: + if init == "default": + trunc_normal_init_(self.weight, scale=1.0) + elif init == "relu": + trunc_normal_init_(self.weight, scale=2.0) + elif init == "glorot": + nn.init.xavier_uniform_(self.weight, gain=1) + elif init == "gating": + with torch.no_grad(): + self.weight.fill_(0.0) + if bias: + with torch.no_grad(): + self.bias.fill_(1.0) + elif init == "normal": + torch.nn.init.kaiming_normal_(self.weight, nonlinearity="linear") + elif init == "final": + with torch.no_grad(): + self.weight.fill_(0.0) + else: + raise ValueError("Invalid init string.") + + +class LayerNorm(nn.Module): + def __init__(self, c_in, eps=1e-5): + super(LayerNorm, self).__init__() + self.c_in = (c_in,) + self.eps = eps + self.weight = nn.Parameter(torch.ones(c_in)) + self.bias = nn.Parameter(torch.zeros(c_in)) + + def forward(self, x): + out = nn.functional.layer_norm(x, self.c_in, + self.weight, self.bias, self.eps) + return out + + +def graph2matrix(x, chunks): + matrix = torch.stack(torch.chunk(x, chunks), dim=0) + return matrix + +class TriangleMultiplicativeUpdate(nn.Module): + def __init__(self, c_in, c_hidden, _outgoing=False): + """ + Args: + c_z: + Input channel dimension + c: + Hidden channel dimension + """ + super(TriangleMultiplicativeUpdate, self).__init__() + self.c_in = c_in + self.c_hidden = c_hidden + self._outgoing = _outgoing + + self.linear_a_p = Linear(self.c_in, self.c_hidden) + self.linear_a_g = Linear(self.c_in, self.c_hidden, init="gating") + self.linear_b_p = Linear(self.c_in, self.c_hidden) + self.linear_b_g = Linear(self.c_in, self.c_hidden, init="gating") + self.linear_g = Linear(self.c_in, self.c_hidden, init="gating") + self.linear_z = Linear(self.c_hidden, self.c_hidden, init="final") + + self.layer_norm_in = LayerNorm(self.c_in) + self.layer_norm_out = LayerNorm(self.c_hidden) + + self.sigmoid = nn.Sigmoid() + + def _combine_projections(self, a, b): + idxs = ((2, 0, 1), (2, 1, 0)) + idx_a, idx_b = (idxs[1], idxs[0]) if self._outgoing else (idxs[0], idxs[1]) + p = torch.matmul( + permute_final_dims(a, idx_a), + permute_final_dims(b, idx_b), + ) + return permute_final_dims(p, (1, 2, 0)) + + def forward(self, z, src_idx, dst_idx): + chunks = src_idx.shape[0] // len(src_idx[src_idx == 0]) + z = graph2matrix(z, chunks) + z = self.layer_norm_in(z) + a = self.linear_a_p(z) * self.sigmoid(self.linear_a_g(z)) + # a: [*, N_res, N_res, C_z] + b = self.linear_b_p(z) * self.sigmoid(self.linear_b_g(z)) + # b: [*, N_res, N_res, C_z] + # tri_mul_out and tri_mul_in are different here + x = self._combine_projections(a, b) + + ndst_idx = torch.stack(torch.chunk(dst_idx, chunks), dim=0) + ndst_idx = ndst_idx.repeat(self.c_hidden, 1, 1).permute(1, 2, 0) + x = torch.gather(x, 1, ndst_idx) + + x = self.layer_norm_out(x) + # x: [*, N_res, N_res, C_z] + x = self.linear_z(x) + # g: [*, N_res, N_res, C_z] + g = self.sigmoid(self.linear_g(z)) + # z: [*, N_res, N_res, C_z] + + z = x * g + return z.reshape(-1, z.shape[-1]) + + +"""=============================================================================================""" +""" Graph Encoder """ +"""=============================================================================================""" + +def get_attend_mask(idx, mask): + mask_attend = gather_nodes(mask.unsqueeze(-1), idx).squeeze(-1) # 一阶邻居节点的mask: 1代表节点存在, 0代表节点不存在 + mask_attend = mask.unsqueeze(-1) * mask_attend # 自身的mask*邻居节点的mask + return mask_attend + +#################################### node modules ############################### +class NeighborAttention(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, edge_drop=0.0, output_mlp=True): + super(NeighborAttention, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.edge_drop = edge_drop + self.output_mlp = output_mlp + + # self.W_Q = nn.Linear(num_hidden, num_hidden, bias=False) + # self.W_K = nn.Linear(num_in, num_hidden, bias=False) + # self.W_V = nn.Linear(num_in, num_hidden, bias=False) + self.W_V = nn.Sequential(nn.Linear(num_in, num_hidden), + nn.GELU(), + nn.Linear(num_hidden, num_hidden), + nn.GELU(), + nn.Linear(num_hidden, num_hidden) + ) + self.Bias = nn.Sequential( + nn.Linear(num_hidden*3, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_heads) + ) + self.W_O = nn.Linear(num_hidden, num_hidden, bias=False) + + def forward(self, h_V, h_E, center_id, batch_id, dst_idx=None): + N = h_V.shape[0] + E = h_E.shape[0] + n_heads = self.num_heads + d = int(self.num_hidden / n_heads) + + w = self.Bias(torch.cat([h_V[center_id], h_E],dim=-1)).view(E, n_heads, 1) + attend_logits = w/np.sqrt(d) + + V = self.W_V(h_E).view(-1, n_heads, d) + attend = scatter.scatter_softmax(attend_logits, index=center_id, dim=0) + h_V = scatter.scatter_sum(attend*V, center_id, dim=0).view([-1, self.num_hidden]) + + if self.output_mlp: + h_V_update = self.W_O(h_V) + else: + h_V_update = h_V + return h_V_update + +class GCN(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(GCN, 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*3, 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() + + from .proteinmpnn_module import PositionWiseFeedForward + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, src_idx, batch_id, dst_idx): + """ Parallel computation of full transformer layer """ + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W3(self.act(self.W2(self.act(self.W1(h_EV))))) + dh = scatter.scatter_mean(h_message, src_idx, dim=0) / 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)) + return h_V + +class GAT(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(GAT, 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*3, 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.A = nn.Parameter(torch.empty(size=(num_hidden + num_in, 1))) + + from .proteinmpnn_module import PositionWiseFeedForward + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, src_idx, batch_id, dst_idx): + """ Parallel computation of full transformer layer """ + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W3(self.act(self.W2(self.act(self.W1(h_EV))))) + + e = F.sigmoid(F.leaky_relu(torch.matmul(h_EV, self.A))).squeeze(-1).exp() + e = e / e.sum(-1).unsqueeze(-1) + h_message = h_message * e.unsqueeze(-1) + + dh = scatter.scatter_sum(h_message, src_idx, dim=0) / 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)) + return h_V + +class QKV(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, edge_drop=0.0): + super(QKV, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.edge_drop = edge_drop + + self.W_Q = nn.Linear(num_hidden, num_hidden, bias=False) + self.W_K = nn.Linear(num_in, num_hidden, bias=False) + self.W_V = nn.Linear(num_in, num_hidden, bias=False) + self.Bias = nn.Sequential( + nn.Linear(num_hidden*3, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_heads) + ) + self.W_O = nn.Linear(num_hidden, num_hidden, bias=False) + + def forward(self, h_V, h_E, center_id, batch_id, dst_idx): + N = h_V.shape[0] + E = h_E.shape[0] + n_heads = self.num_heads + d = int(self.num_hidden / n_heads) + + Q = self.W_Q(h_V).view(N, n_heads, 1, d)[center_id] + K = self.W_K(h_E).view(E, n_heads, d, 1) + attend_logits = torch.matmul(Q, K).view(E, n_heads, 1) + attend_logits = attend_logits / np.sqrt(d) + + V = self.W_V(h_E).view(-1, n_heads, d) + attend = scatter.scatter_softmax(attend_logits, index=center_id, dim=0) + h_V = scatter.scatter_sum(attend*V, center_id, dim=0).view([N, self.num_hidden]) + + h_V_update = self.W_O(h_V) + return h_V_update + + +#################################### edge modules ############################### +class EdgeMLP(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(EdgeMLP, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout = nn.Dropout(dropout) + self.norm = nn.BatchNorm1d(num_hidden) + 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() + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W13(self.act(self.W12(self.act(self.W11(h_EV))))) + h_E = self.norm(h_E + self.dropout(h_message)) + return h_E + +class DualEGraph(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(DualEGraph, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout = nn.Dropout(dropout) + self.norm = nn.BatchNorm1d(num_hidden) + 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() + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + + E_agg = scatter.scatter_mean(h_E, dst_idx, dim=0) + h_EV = torch.cat([E_agg[src_idx], h_E, E_agg[dst_idx]], dim=-1) + h_message = self.W13(self.act(self.W12(self.act(self.W11(h_EV))))) + h_E = self.norm(h_E + self.dropout(h_message)) + return h_E + +#################################### context modules ############################### +class Context(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30, node_context = False, edge_context = False): + super(Context, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.node_context = node_context + self.edge_context = edge_context + + self.V_MLP = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + ) + + self.V_MLP_g = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.Sigmoid() + ) + + self.E_MLP = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden) + ) + + self.E_MLP_g = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.Sigmoid() + ) + + def forward(self, h_V, h_E, edge_idx, batch_id): + if self.node_context: + c_V = scatter.scatter_mean(h_V, batch_id, dim=0) + h_V = h_V * self.V_MLP_g(c_V[batch_id]) + # h_V = h_V + h_V * self.V_MLP_g(c_V[batch_id]) + # h_V = self.V_MLP(h_V) * self.V_MLP_g(c_V[batch_id]) + # h_V = h_V + self.V_MLP(h_V) * self.V_MLP_g(c_V[batch_id]) + + # if self.edge_context: + # c_V = scatter.scatter_mean(h_V, batch_id, dim=0) + # h_E = h_E * self.E_MLP_g(c_V[batch_id[edge_idx[0]]]) + + return h_V, h_E + + +class GeneralGNN(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30, node_net = 'AttMLP', edge_net = 'EdgeMLP', node_context = 0, edge_context = 0): + super(GeneralGNN, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([nn.BatchNorm1d(num_hidden) for _ in range(3)]) + self.node_net = node_net + self.edge_net = edge_net + if node_net == 'AttMLP': + self.attention = NeighborAttention(num_hidden, num_in, num_heads=4) + if node_net == 'GCN': + self.attention = GCN(num_hidden, num_in, num_heads=4) + if node_net == 'GAT': + self.attention = GAT(num_hidden, num_in, num_heads=4) + if node_net == 'QKV': + self.attention = QKV(num_hidden, num_in, num_heads=4) + + if edge_net == 'None': + pass + if edge_net == 'EdgeMLP': + self.edge_update = EdgeMLP(num_hidden, num_in, num_heads=4) + if edge_net == 'DualEGraph': + self.edge_update = DualEGraph(num_hidden, num_in, num_heads=4) + + self.context = Context(num_hidden, num_in, num_heads=4, node_context=node_context, edge_context=edge_context) + + self.dense = nn.Sequential( + nn.Linear(num_hidden, num_hidden*4), + nn.ReLU(), + nn.Linear(num_hidden*4, num_hidden) + ) + self.act = torch.nn.GELU() + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + + if self.node_net == 'AttMLP' or self.node_net == 'QKV': + dh = self.attention(h_V, torch.cat([h_E, h_V[dst_idx]], dim=-1), src_idx, batch_id, dst_idx) + else: + dh = self.attention(h_V, h_E, src_idx, batch_id, dst_idx) + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + + if self.edge_net=='None': + pass + else: + h_E = self.edge_update( h_V, h_E, edge_idx, batch_id ) + + h_V, h_E = self.context(h_V, h_E, edge_idx, batch_id) + return h_V, h_E + +class GNNModule(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, dropout=0): + super(GNNModule, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.num_in = num_in + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([nn.BatchNorm1d(num_hidden) for _ in range(2)]) + self.attention = NeighborAttention(num_hidden, num_in, num_heads, edge_drop=0.0) # TODO: edge_drop + self.dense = nn.Sequential( + nn.Linear(num_hidden, num_hidden*4), + nn.ReLU(), + nn.Linear(num_hidden*4, num_hidden) + ) + + def forward(self, h_V, h_E, edge_idx, batch_id): + center_id = edge_idx[0] + dh = self.attention(h_V, h_E, center_id, batch_id) + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + return h_V + + +class GNNModule_E1(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30, att_output_mlp=True, node_output_mlp=True): + super(GNNModule_E1, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.node_output_mlp = node_output_mlp + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([nn.BatchNorm1d(num_hidden) for _ in range(3)]) + self.attention = NeighborAttention(num_hidden, num_in, num_heads=4, edge_drop=0.0, output_mlp=att_output_mlp) # TODO: edge_drop + self.dense = nn.Sequential( + nn.Linear(num_hidden, num_hidden*4), + nn.ReLU(), + nn.Linear(num_hidden*4, 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() + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + + dh = self.attention(h_V, torch.cat([h_E, h_V[dst_idx]], dim=-1), src_idx, batch_id) + h_V = self.norm[0](h_V + self.dropout(dh)) + if self.node_output_mlp: + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W13(self.act(self.W12(self.act(self.W11(h_EV))))) + h_E = self.norm[2](h_E + self.dropout(h_message)) + return h_V, h_E + + +class GNNModule_E2(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(GNNModule_E2, 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() + + from .proteinmpnn_module import PositionWiseFeedForward + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + """ Parallel computation of full transformer layer """ + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W3(self.act(self.W2(self.act(self.W1(h_EV))))) + dh = scatter.scatter_sum(h_message, src_idx, dim=0) / 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)) + + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-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 GNNModule_E3(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(GNNModule_E3, 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.A = nn.Parameter(torch.empty(size=(num_hidden + num_in, 1))) + + from .proteinmpnn_module import PositionWiseFeedForward + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + """ Parallel computation of full transformer layer """ + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W3(self.act(self.W2(self.act(self.W1(h_EV))))) + + e = F.sigmoid(F.leaky_relu(torch.matmul(h_EV, self.A))).squeeze(-1).exp() + e = e / e.sum(-1).unsqueeze(-1) + h_message = h_message * e.unsqueeze(-1) + + dh = scatter.scatter_sum(h_message, src_idx, dim=0) / 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)) + + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-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 StructureEncoder(nn.Module): + def __init__(self, hidden_dim, num_encoder_layers=3, dropout=0, updating_edges=0, att_output_mlp=True, node_output_mlp=True, node_net = 'AttMLP', edge_net = 'EdgeMLP', node_context = False, edge_context = False): + """ Graph labeling network """ + super(StructureEncoder, self).__init__() + # self.encoder_layers = nn.ModuleList([]) + encoder_layers = [] + + self.updating_edges = updating_edges + if updating_edges == 0: + module = GNNModule + elif updating_edges == 1: + module = GNNModule_E1 + elif updating_edges == 2: + module = GNNModule_E2 + elif updating_edges == 3: + module = GNNModule_E3 + elif updating_edges == 4: + module = GeneralGNN + + if updating_edges == 4: + for i in range(num_encoder_layers): + encoder_layers.append( + module(hidden_dim, hidden_dim*2, dropout=dropout, node_net = node_net, edge_net = edge_net, node_context = node_context, edge_context = edge_context), + ) + else: + for i in range(num_encoder_layers): + encoder_layers.append( + module(hidden_dim, hidden_dim*2, dropout=dropout, att_output_mlp=att_output_mlp, node_output_mlp=node_output_mlp), + ) + + self.encoder_layers = nn.Sequential(*encoder_layers) + + def forward(self, h_V, h_P, P_idx, batch_id): + for layer in self.encoder_layers: + if self.updating_edges == 0: + h_V = layer(h_V, torch.cat([h_P, h_V[P_idx[1]]], dim=1), P_idx, batch_id) + # h_V = h_V + layer(h_V, torch.cat([h_P, h_V[P_idx[1]]], dim=1), P_idx, batch_id) + else: + h_V, h_P = layer(h_V, h_P, P_idx, batch_id) + return h_V, h_P + +"""=============================================================================================""" +""" Sequence Decoder """ +"""=============================================================================================""" + +def positionalencoding1d(d_model, length): + """ + :param d_model: dimension of the model + :param length: length of positions + :return: length*d_model position matrix + """ + if d_model % 2 != 0: + raise ValueError("Cannot use sin/cos positional encoding with " + "odd dim (got dim={:d})".format(d_model)) + pe = torch.zeros(length, d_model) + position = torch.arange(0, length).unsqueeze(1) + div_term = torch.exp((torch.arange(0, d_model, 2, dtype=torch.float) * + -(math.log(10000.0) / d_model))) + pe[:, 0::2] = torch.sin(position.float() * div_term) + pe[:, 1::2] = torch.cos(position.float() * div_term) + + return pe + + +class ConvBlock(nn.Module): + def __init__(self, hidden_dim, kernel_size, padding, act_func, glu=0): + super().__init__() + + self.glu = glu + self.bn = nn.BatchNorm1d(hidden_dim) + self.act = act_func + if glu == 0: + self.conv = nn.Conv1d(hidden_dim, hidden_dim, kernel_size, padding=padding) + elif glu == 1: + self.conv = nn.Conv1d(hidden_dim, 2*hidden_dim, kernel_size, padding=padding) + + def forward(self, x): + if self.glu == 0: + return self.conv(self.act(self.bn(x))) + elif self.glu == 1: + f_g = self.conv(self.act(self.bn(x))) + split_dim = f_g.shape[1] // 2 + f_x, g_x = torch.split(f_g, split_dim, dim=1) + return torch.sigmoid(g_x) * f_x + +class MLPDecoder(nn.Module): + def __init__(self, hidden_dim, input_dim, num_layers=3, kernel_size=5, act_type='relu', glu=0, vocab=21): + super().__init__() + padding = (kernel_size - 1) // 2 + # module_lst = [nn.Conv1d(input_dim, hidden_dim, kernel_size, padding=padding)] + # for _ in range(num_layers): + # module_lst.append(ConvBlock(hidden_dim, kernel_size, padding, activation_maps[act_type], glu)) + + # self.CNN = nn.Sequential(*module_lst) + self.readout = nn.Linear(hidden_dim, vocab) + + def forward(self, h_V, batch_id=None, token_mask=None): + # h_V = h_V.unsqueeze(0).permute(0,2,1) + # hidden = self.CNN(h_V).permute(0,2,1).squeeze() + logits = self.readout(h_V) + # if token_mask is not None: + # token_mask = token_mask[None,:].to(h_V.device) + # logits = logits*token_mask -999999*(~token_mask) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs, logits + +class CNNDecoder(nn.Module): + def __init__(self, hidden_dim, input_dim, num_layers=3, kernel_size=5, act_type='relu', glu=0, vocab=20): + super().__init__() + + padding = (kernel_size - 1) // 2 + module_lst = [nn.Conv1d(input_dim, hidden_dim, kernel_size, padding=padding)] + for _ in range(num_layers): + module_lst.append(ConvBlock(hidden_dim, kernel_size, padding, activation_maps[act_type], glu)) + + self.CNN = nn.Sequential(*module_lst) + + self.readout = nn.Linear(hidden_dim, vocab) + + def forward(self, h_V, batch_id): + h_V = h_V.unsqueeze(0).permute(0,2,1) + hidden = self.CNN(h_V).permute(0,2,1).squeeze() + logits = self.readout(hidden) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs, logits + +class CNNDecoder2(nn.Module): + def __init__(self,hidden_dim, input_dim, num_layers=3, kernel_size=5, act_type='relu', glu=0, vocab=20): + super().__init__() + self.ConfNN = nn.Embedding(50, hidden_dim) + + padding = (kernel_size - 1) // 2 + module_lst = [nn.Conv1d(hidden_dim+input_dim, hidden_dim, kernel_size, padding=padding)] + for _ in range(num_layers): + module_lst.append(ConvBlock(hidden_dim, kernel_size, padding, activation_maps[act_type], glu)) + + self.CNN = nn.Sequential(*module_lst) + + self.readout = nn.Linear(hidden_dim, vocab) + + def forward(self, h_V, logits, batch_id): + eps = 1e-5 + L = h_V.shape[0] + idx = torch.argsort(-logits, dim=1) + Conf = logits[range(L), idx[:,0]] / (logits[range(L), idx[:,1]] + eps) + Conf = Conf.long() + Conf = torch.clamp(Conf, 0, 49) + h_C = self.ConfNN(Conf) + + h_V = torch.cat([h_V,h_C],dim=-1) + h_V = h_V.unsqueeze(0).permute(0,2,1) + hidden = self.CNN(h_V).permute(0,2,1).squeeze() + logits = self.readout(hidden) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs, logits + +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) + + def forward(self, h_V): + h = F.relu(self.W_in(h_V)) + h = self.W_out(h) + return h + +class Local_Module(nn.Module): + def __init__(self, num_hidden, num_in, is_attention, dropout=0.1, scale=30): + super(Local_Module, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.is_attention = is_attention + self.scale = scale + self.dropout = nn.Dropout(0) + self.norm = nn.ModuleList([Normalize(num_hidden) for _ in range(2)]) + self.W = nn.Sequential(*[ + nn.Linear(num_hidden + num_in, num_hidden), + nn.LeakyReLU(inplace=True), + nn.Linear(num_hidden, num_hidden), + nn.LeakyReLU(inplace=True), + nn.Linear(num_hidden, num_hidden) + ]) + self.A = nn.Parameter(torch.empty(size=(num_hidden + num_in, 1))) + self.dense = PositionWiseFeedForward(num_hidden, num_hidden * 4) + + def forward(self, h_V, h_E, edge_idx): + message = torch.cat( [h_V[edge_idx[0]], h_E], dim=1 ) + h_message = self.W(message) # [17790, 128] + # Attention + if self.is_attention == 1: + att = F.sigmoid(F.leaky_relu(torch.matmul(message, self.A))).exp() + att = att / scatter.scatter_sum(att, edge_idx[0], dim=0)[edge_idx[0]] + h_message = h_message * att # [4, 312, 30, 128] + + # message aggragation + dh = scatter.scatter_sum(h_message, edge_idx[0], dim=0) / self.scale + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + return h_V + + +class ATDecoder(nn.Module): + def __init__(self, args, hidden_dim, dropout=0.1, vocab=20): + super().__init__() + self.hidden_dim = hidden_dim + self.vocab = vocab + self.W_s = nn.Embedding(vocab, hidden_dim) + self.UpdateE = nn.Linear(hidden_dim*2, hidden_dim) + + self.decoder = nn.ModuleList([]) + for _ in range(args.AT_layer_num): + self.decoder.append( + Local_Module(hidden_dim, hidden_dim*3, is_attention=1, dropout=dropout) + ) + self.readout = MLPDecoder(hidden_dim, hidden_dim, args.num_decoder_layers1, args.kernel_size1, args.act_type, args.glu) + + def forward(self, S, h_V, h_P, P_idx, batch_id, mask_bw=None, mask_fw=None): + h_S = self.W_s(S) + h_PS = torch.cat((h_P, h_S[P_idx[1]]), dim=1) + h_PSV_enc = torch.cat((h_P, torch.zeros_like(h_S[P_idx[1]]), h_V[P_idx[1]]), dim=1) + known_mask = (P_idx[0]>P_idx[1]).unsqueeze(-1) + for dec_layer in self.decoder: + h_PSV_dec = torch.cat((h_PS, h_V[P_idx[1]]), dim=1) + h_PSV = h_PSV_dec*known_mask + h_PSV_enc*(~known_mask) + + # 仅当dst node的mask为1时使用h_PSV_dec, 否则使用h_PSV_enc + # h_PSV = h_PSV_dec*mask_bw[P_idx[1]].view(-1,1) + h_PSV_enc*mask_fw[P_idx[1]].view(-1,1) + h_V = dec_layer(h_V, h_PSV , P_idx) + log_probs, logits = self.readout(h_V) + return log_probs + + def sampling(self, h_V, h_P, P_idx, batch_id, temperature=0.1, mask_bw=None, mask_fw=None, decoding_order=None): + device = h_V.device + L = h_V.shape[0] + + # cache + S = torch.zeros( L, device=device, dtype=torch.int) + energy = torch.zeros( L, device=device) + h_S = torch.zeros( L, self.hidden_dim, device=device) + h_PSV_enc = torch.cat((h_P, torch.zeros_like(h_S[P_idx[1]]), h_V[P_idx[1]]), dim=1) + h_V_stack = [h_V] + [torch.zeros_like(h_V) for _ in range(len(self.decoder))] + log_probs = torch.zeros( L, self.vocab, device=device) + + # shift = scatter_sum(torch.ones_like(batch_id),batch_id, dim=0) + # shift = torch.cumsum(torch.cat([torch.zeros(1, device=device, dtype=torch.long),shift]), dim=0)[:-1] + # (torch.sort(decoding_order)[0].diff(dim=0)==1).all() + known = torch.zeros_like(P_idx[0])==1 + for t in decoding_order: + edge_mask = P_idx[0] % L == t # 批量预测第t个氨基酸 + h_V_t = h_V[t:t+1,:] + P_idx_t = P_idx[:, edge_mask] + h_PS = torch.cat((h_P, h_S[P_idx[1]]), dim=1) + h_PS_t = h_PS[edge_mask] + h_PSV_enc_t = h_PSV_enc[edge_mask] + known_mask = (P_idx_t[0]>P_idx_t[1]).unsqueeze(-1) + + for l, dec_layer in enumerate(self.decoder): + h_PSV_t_dec = torch.cat((h_PS_t, + h_V_stack[l][P_idx_t[1]]), + dim=1) + h_PSV_t = h_PSV_t_dec*known_mask + h_PSV_enc_t*(~known_mask) + # h_PSV_t = h_PSV_t_dec*known[P_idx_t[1]].view(-1,1) + h_PSV_enc_t*(~known[P_idx_t[1]].view(-1,1)) + + h_V_t = h_V_stack[l][t:t+1,:] + edge_index_t_local = torch.zeros_like(P_idx_t) + edge_index_t_local[1,:] = torch.arange(0, P_idx_t.shape[1], device=h_V.device) + h_V_t = dec_layer(h_V_t, h_PSV_t , edge_index_t_local) + + h_V_stack[l+1][t] = h_V_t + + h_V_t = h_V_stack[-1][t] + log_probs_t, logits_t = self.readout(h_V_t) + log_probs[t] = log_probs_t + probs = F.softmax(logits_t/temperature, dim=-1) + S_t = torch.multinomial(probs, 1).squeeze(-1) + h_S[t::L] = self.W_s(S_t) + S[t::L] = S_t + known[t] = True + + return log_probs + + + + # def forward(self, S, h_V, h_E, edge_idx, batch_id): + # h_S = self.W_s(S) + # known_mask = (edge_idx[0]>edge_idx[1]).unsqueeze(-1) + # h_ES_known = self.UpdateE(torch.cat([h_E, h_S[edge_idx[1]]], dim=-1)) + + # for dec_layer in self.decoder: + # h_E_mix = h_ES_known*known_mask + h_E*(~known_mask) + # h_V, _ = dec_layer(h_V, h_E_mix, edge_idx, batch_id) + + # log_probs, logits = self.readout(h_V) + # return log_probs + + # def sampling(self, h_V, h_E, edge_idx, batch_id, temperature=0.1): + # device = h_V.device + # L = h_V.shape[0] + + # # cache + # S = torch.zeros( L, device=device, dtype=torch.int) + # h_S = torch.zeros( L, self.hidden_dim, device=device) + # h_V_stack = [h_V] + [torch.zeros_like(h_V) for _ in range(len(self.decoder))] + # log_probs = torch.zeros( L, self.vocab, device=device) + + # for t in range(L): + # edge_mask = edge_idx[0] % L == t # 批量预测第t个氨基酸 + # h_V_t = h_V[t:t+1,:] + # E_idx_t = edge_idx[:, edge_mask] + # h_ES_known = torch.cat((h_E, h_S[edge_idx[1]]), dim=1) + # h_ES_known_t = self.UpdateE(h_ES_known[edge_mask]) + # h_E_t = h_E[edge_mask] + # known_mask = (E_idx_t[0]>E_idx_t[1]).unsqueeze(-1) + + # for l, dec_layer in enumerate(self.decoder): + # h_ES_t = h_ES_known_t*known_mask + h_E_t*(~known_mask) + + # h_V_t = h_V_stack[l][E_idx_t[1],:] + # edge_index_t_local = torch.zeros_like(E_idx_t) + # edge_index_t_local[1,:] = torch.arange(0, E_idx_t.shape[1], device=h_V.device) + # batch_id_t = torch.zeros(h_V_t.shape[0], dtype=torch.long, device=device) + # h_V_t, _ = dec_layer(h_V_t, h_ES_t , edge_index_t_local, batch_id_t) + + # h_V_stack[l+1][t] = h_V_t[0] + + # h_V_t = h_V_stack[-1][t] + # log_probs_t, logits_t = self.readout(h_V_t) + # log_probs[t] = log_probs_t + # probs = F.softmax(logits_t/temperature, dim=-1) + # S_t = torch.multinomial(probs, 1).squeeze(-1) + # h_S[t::L] = self.W_s(S_t) + # S[t::L] = S_t + + # return log_probs + +if __name__ == '__main__': + pass \ No newline at end of file diff --git a/Flexpert-Design/src/modules/pifold_module_old.py b/Flexpert-Design/src/modules/pifold_module_old.py new file mode 100644 index 0000000000000000000000000000000000000000..1d639b81afdfee9a1debba4484ddc30a0d45b6e2 --- /dev/null +++ b/Flexpert-Design/src/modules/pifold_module_old.py @@ -0,0 +1,196 @@ +import numpy as np + +import torch +import torch.nn as nn +import torch.nn.functional as F +# from torch_scatter import scatter_sum, scatter_softmax, scatter_mean +from torch_geometric.utils import scatter + + +#################################### node modules ############################### +class NeighborAttention(nn.Module): + def __init__(self, num_hidden, num_in, num_heads=4, edge_drop=0.0, output_mlp=True): + super(NeighborAttention, self).__init__() + self.num_heads = num_heads + self.num_hidden = num_hidden + self.edge_drop = edge_drop + self.output_mlp = output_mlp + + self.W_V = nn.Sequential(nn.Linear(num_in, num_hidden), + nn.GELU(), + nn.Linear(num_hidden, num_hidden), + nn.GELU(), + nn.Linear(num_hidden, num_hidden) + ) + self.Bias = nn.Sequential( + nn.Linear(num_hidden*3, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_heads) + ) + self.W_O = nn.Linear(num_hidden, num_hidden, bias=False) + + def forward(self, h_V, h_E, center_id, batch_id, dst_idx=None): + N = h_V.shape[0] + E = h_E.shape[0] + n_heads = self.num_heads + d = int(self.num_hidden / n_heads) + + w = self.Bias(torch.cat([h_V[center_id], h_E],dim=-1)).view(E, n_heads, 1) + attend_logits = w/np.sqrt(d) + + V = self.W_V(h_E).view(-1, n_heads, d) + attend = scatter.scatter_softmax(attend_logits, index=center_id, dim=0) + h_V = scatter.scatter_sum(attend*V, center_id, dim=0).view([-1, self.num_hidden]) + + if self.output_mlp: + h_V_update = self.W_O(h_V) + else: + h_V_update = h_V + return h_V_update + +#################################### edge modules ############################### +class EdgeMLP(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30): + super(EdgeMLP, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout = nn.Dropout(dropout) + self.norm = nn.BatchNorm1d(num_hidden) + 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() + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + + h_EV = torch.cat([h_V[src_idx], h_E, h_V[dst_idx]], dim=-1) + h_message = self.W13(self.act(self.W12(self.act(self.W11(h_EV))))) + h_E = self.norm(h_E + self.dropout(h_message)) + return h_E + +#################################### context modules ############################### +class Context(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30, node_context = False, edge_context = False): + super(Context, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.node_context = node_context + self.edge_context = edge_context + + self.V_MLP = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + ) + + self.V_MLP_g = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.Sigmoid() + ) + + self.E_MLP = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden) + ) + + self.E_MLP_g = nn.Sequential( + nn.Linear(num_hidden, num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.ReLU(), + nn.Linear(num_hidden,num_hidden), + nn.Sigmoid() + ) + + def forward(self, h_V, h_E, edge_idx, batch_id): + if self.node_context: + c_V = scatter.scatter_mean(h_V, batch_id, dim=0) + h_V = h_V * self.V_MLP_g(c_V[batch_id]) + if self.edge_context: + c_V = scatter.scatter_mean(h_V, batch_id, dim=0) + h_E = h_E * self.E_MLP_g(c_V[batch_id[edge_idx[0]]]) + return h_V, h_E + + +class GeneralGNN(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30, node_context = 0, edge_context = 0): + super(GeneralGNN, self).__init__() + self.num_hidden = num_hidden + self.num_in = num_in + self.scale = scale + self.dropout = nn.Dropout(dropout) + self.norm = nn.ModuleList([nn.BatchNorm1d(num_hidden) for _ in range(3)]) + self.attention = NeighborAttention(num_hidden, num_in, num_heads=4) + self.edge_update = EdgeMLP(num_hidden, num_in, num_heads=4) + self.context = Context(num_hidden, num_in, num_heads=4, node_context=node_context, edge_context=edge_context) + + self.dense = nn.Sequential( + nn.Linear(num_hidden, num_hidden*4), + nn.ReLU(), + nn.Linear(num_hidden*4, num_hidden) + ) + 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() + + def forward(self, h_V, h_E, edge_idx, batch_id): + src_idx = edge_idx[0] + dst_idx = edge_idx[1] + + dh = self.attention(h_V, torch.cat([h_E, h_V[dst_idx]], dim=-1), src_idx, batch_id, dst_idx) + h_V = self.norm[0](h_V + self.dropout(dh)) + dh = self.dense(h_V) + h_V = self.norm[1](h_V + self.dropout(dh)) + h_E = self.edge_update( h_V, h_E, edge_idx, batch_id ) + h_V, h_E = self.context(h_V, h_E, edge_idx, batch_id) + return h_V, h_E + + +class StructureEncoder(nn.Module): + def __init__(self, hidden_dim, num_encoder_layers=3, dropout=0, updating_edges=0, node_context = False, edge_context = False): + super(StructureEncoder, self).__init__() + encoder_layers = [] + + self.updating_edges = updating_edges + module = GeneralGNN + + for i in range(num_encoder_layers): + encoder_layers.append( + module(hidden_dim, hidden_dim*2, dropout=dropout, node_context = node_context, edge_context = edge_context), + ) + self.encoder_layers = nn.Sequential(*encoder_layers) + + def forward(self, h_V, h_P, P_idx, batch_id): + for layer in self.encoder_layers: + if self.updating_edges == 0: + h_V = layer(h_V, torch.cat([h_P, h_V[P_idx[1]]], dim=1), P_idx, batch_id) + else: + h_V, h_P = layer(h_V, h_P, P_idx, batch_id) + return h_V, h_P + + +class MLPDecoder(nn.Module): + def __init__(self, hidden_dim, vocab=20): + super().__init__() + self.readout = nn.Linear(hidden_dim, vocab) + + def forward(self, h_V): + logits = self.readout(h_V) + log_probs = F.log_softmax(logits, dim=-1) + return log_probs, logits \ No newline at end of file diff --git a/Flexpert-Design/src/modules/proteinmpnn_module.py b/Flexpert-Design/src/modules/proteinmpnn_module.py new file mode 100644 index 0000000000000000000000000000000000000000..90cbe1865e315fda177c581e8a844799b4dab204 --- /dev/null +++ b/Flexpert-Design/src/modules/proteinmpnn_module.py @@ -0,0 +1,229 @@ +import numpy as np + +import torch +import torch.nn as nn +from .graphtrans_module import gather_edges, cat_neighbors_nodes + + +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 EncLayer(nn.Module): + def __init__(self, num_hidden, num_in, dropout=0.1, num_heads=None, scale=30, proteinmpnn_type=0): + 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) + + self.proteinmpnn_type = proteinmpnn_type + + 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) + # import pdb; pdb.set_trace() + 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 + + if self.proteinmpnn_type != 3: + 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 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, proteinmpnn_type=0): + """ 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.proteinmpnn_type = proteinmpnn_type + if self.proteinmpnn_type == 2: + edge_in = 32 + + self.edge_embedding = nn.Linear(edge_in, edge_features, bias=False) + self.norm_edges = nn.LayerNorm(edge_features) + + self.proteinmpnn_type = proteinmpnn_type + + 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): + 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) + + if self.proteinmpnn_type == 2: + RBF_all = self._rbf(D_neighbors) + else: + 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 \ No newline at end of file diff --git a/Flexpert-Design/src/tools/__init__.py b/Flexpert-Design/src/tools/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..8421517c4db186bc45fa60defd39ee4e6fcdc15e --- /dev/null +++ b/Flexpert-Design/src/tools/__init__.py @@ -0,0 +1,19 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +from .config_utils import Config, check_file_exist +from .design_utils import (cal_dihedral, _dihedrals, _hbonds, _rbf, _get_rbf, _get_dist, + _orientations_coarse_gl, _orientations_coarse_gl_tuple, + gather_edges, gather_nodes, _quaternions, cuda) +from .main_utils import (set_seed, print_log, output_namespace, check_dir, get_dataset, + count_parameters, measure_throughput, load_config, update_config, weights_to_cpu, + init_dist, get_dist_info) +from .parser import create_parser + +__all__ = [ + 'Config', 'check_file_exist', 'create_parser', + 'cal_dihedral', '_dihedrals', '_hbonds', '_rbf', '_get_rbf', '_get_dist', + '_orientations_coarse_gl', '_orientations_coarse_gl_tuple', + 'gather_edges', 'gather_nodes', '_quaternions', 'cuda', + 'set_seed', 'print_log', 'output_namespace', 'check_dir', 'get_dataset', 'count_parameters', + 'measure_throughput', 'load_config', 'update_config', 'weights_to_cpu', 'init_dist', 'get_dist_info', +] \ No newline at end of file diff --git a/Flexpert-Design/src/tools/config_utils.py b/Flexpert-Design/src/tools/config_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..b571444916a9650858462cfeea1eea0088144817 --- /dev/null +++ b/Flexpert-Design/src/tools/config_utils.py @@ -0,0 +1,104 @@ +import os.path as osp +import tempfile +import re +import shutil +import sys +import ast +from importlib import import_module + +''' +Thanks the code from https://github.com/open-mmlab/mmcv/blob/master/mmcv/utils/config.py wrote by Open-MMLab. +The `Config` class here uses some parts of this reference. +''' + +def check_file_exist(filename, msg_tmpl='file "{}" does not exist'): + if not osp.isfile(filename): + raise FileNotFoundError(msg_tmpl.format(filename)) + + +class Config: + def __init__(self, cfg_dict=None, filename=None): + if cfg_dict is None: + cfg_dict = dict() + elif not isinstance(cfg_dict, dict): + raise TypeError('cfg_dict must be a dict, but ' + f'got {type(cfg_dict)}') + + if filename is not None: + cfg_dict = self._file2dict(filename, True) + filename = filename + + super(Config, self).__setattr__('_cfg_dict', cfg_dict) + super(Config, self).__setattr__('_filename', filename) + + @staticmethod + def _validate_py_syntax(filename): + with open(filename, 'r') as f: + content = f.read() + try: + ast.parse(content) + except SyntaxError as e: + raise SyntaxError('There are syntax errors in config ' + f'file {filename}: {e}') + + @staticmethod + def _substitute_predefined_vars(filename, temp_config_name): + file_dirname = osp.dirname(filename) + file_basename = osp.basename(filename) + file_basename_no_extension = osp.splitext(file_basename)[0] + file_extname = osp.splitext(filename)[1] + support_templates = dict( + fileDirname=file_dirname, + fileBasename=file_basename, + fileBasenameNoExtension=file_basename_no_extension, + fileExtname=file_extname) + with open(filename, 'r') as f: + config_file = f.read() + for key, value in support_templates.items(): + regexp = r'\{\{\s*' + str(key) + r'\s*\}\}' + value = value.replace('\\', '/') + config_file = re.sub(regexp, value, config_file) + with open(temp_config_name, 'w') as tmp_config_file: + tmp_config_file.write(config_file) + + @staticmethod + def _file2dict(filename, use_predefined_variables=True): + filename = osp.abspath(osp.expanduser(filename)) + check_file_exist(filename) + fileExtname = osp.splitext(filename)[1] + if fileExtname not in ['.py']: + raise IOError('Only py type are supported now!') + + with tempfile.TemporaryDirectory() as temp_config_dir: + temp_config_file = tempfile.NamedTemporaryFile( + dir=temp_config_dir, suffix=fileExtname) + temp_config_name = osp.basename(temp_config_file.name) + + # Substitute predefined variables + if use_predefined_variables: + Config._substitute_predefined_vars(filename, + temp_config_file.name) + else: + shutil.copyfile(filename, temp_config_file.name) + + if filename.endswith('.py'): + temp_module_name = osp.splitext(temp_config_name)[0] + sys.path.insert(0, temp_config_dir) + Config._validate_py_syntax(filename) + mod = import_module(temp_module_name) + sys.path.pop(0) + cfg_dict = { + name: value + for name, value in mod.__dict__.items() + if not name.startswith('__') + } + # delete imported module + del sys.modules[temp_module_name] + # close temp file + temp_config_file.close() + return cfg_dict + + @staticmethod + def fromfile(filename, use_predefined_variables=True): + cfg_dict = Config._file2dict(filename, use_predefined_variables) + return Config(cfg_dict, filename=filename) diff --git a/Flexpert-Design/src/tools/design_utils.py b/Flexpert-Design/src/tools/design_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..efcae7821eeea8010b0d09bf6b1fbf354aef2b20 --- /dev/null +++ b/Flexpert-Design/src/tools/design_utils.py @@ -0,0 +1,242 @@ +import torch +import torch.nn.functional as F +import numpy as np +from collections.abc import Mapping, Sequence + + +# Thanks for StructTrans +# https://github.com/jingraham/neurips19-graph-protein-design +def nan_to_num(tensor, nan=0.0): + idx = torch.isnan(tensor) + tensor[idx] = nan + return tensor + + +def _normalize(tensor, dim=-1): + return nan_to_num( + torch.div(tensor, torch.norm(tensor, dim=dim, keepdim=True))) + + +def cal_dihedral(X, eps=1e-7): + dX = X[:,1:,:] - X[:,:-1,:] # CA-N, C-CA, N-C, CA-N... + U = _normalize(dX, dim=-1) + u_0 = U[:,:-2,:] # CA-N, C-CA, N-C,... + u_1 = U[:,1:-1,:] # C-CA, N-C, CA-N, ... 0, psi_{i}, omega_{i}, phi_{i+1} or 0, tau_{i},... + u_2 = U[:,2:,:] # N-C, CA-N, C-CA, ... + + n_0 = _normalize(torch.cross(u_0, u_1), dim=-1) + n_1 = _normalize(torch.cross(u_1, u_2), dim=-1) + + cosD = (n_0 * n_1).sum(-1) + cosD = torch.clamp(cosD, -1+eps, 1-eps) + + v = _normalize(torch.cross(n_0, n_1), dim=-1) + D = torch.sign((-v* u_1).sum(-1)) * torch.acos(cosD) # TODO: sign + + return D + + +def _dihedrals(X, dihedral_type=0, eps=1e-7): + B, N, _, _ = X.shape + # psi, omega, phi + X = X[:,:,:3,:].reshape(X.shape[0], 3*X.shape[1], 3) # ['N', 'CA', 'C', 'O'] + D = cal_dihedral(X) + D = F.pad(D, (1,2), 'constant', 0) + D = D.view((D.size(0), int(D.size(1)/3), 3)) + Dihedral_Angle_features = torch.cat((torch.cos(D), torch.sin(D)), 2) + + # alpha, beta, gamma + dX = X[:,1:,:] - X[:,:-1,:] # CA-N, C-CA, N-C, CA-N... + U = _normalize(dX, dim=-1) + u_0 = U[:,:-2,:] # CA-N, C-CA, N-C,... + u_1 = U[:,1:-1,:] # C-CA, N-C, CA-N, ... + cosD = (u_0*u_1).sum(-1) # alpha_{i}, gamma_{i}, beta_{i+1} + cosD = torch.clamp(cosD, -1+eps, 1-eps) + D = torch.acos(cosD) + D = F.pad(D, (1,2), 'constant', 0) + D = D.view((D.size(0), int(D.size(1)/3), 3)) + Angle_features = torch.cat((torch.cos(D), torch.sin(D)), 2) + D_features = torch.cat((Dihedral_Angle_features, Angle_features), 2) + return D_features + + +def _hbonds(X, E_idx, mask_neighbors, eps=1E-3): + X_atoms = dict(zip(['N', 'CA', 'C', 'O'], torch.unbind(X, 2))) + + X_atoms['C_prev'] = F.pad(X_atoms['C'][:,1:,:], (0,0,0,1), 'constant', 0) + X_atoms['H'] = X_atoms['N'] + _normalize( + _normalize(X_atoms['N'] - X_atoms['C_prev'], -1) + + _normalize(X_atoms['N'] - X_atoms['CA'], -1) + , -1) + + def _distance(X_a, X_b): + return torch.norm(X_a[:,None,:,:] - X_b[:,:,None,:], dim=-1) + + def _inv_distance(X_a, X_b): + return 1. / (_distance(X_a, X_b) + eps) + + U = (0.084 * 332) * ( + _inv_distance(X_atoms['O'], X_atoms['N']) + + _inv_distance(X_atoms['C'], X_atoms['H']) + - _inv_distance(X_atoms['O'], X_atoms['H']) + - _inv_distance(X_atoms['C'], X_atoms['N']) + ) + + HB = (U < -0.5).type(torch.float32) + neighbor_HB = mask_neighbors * gather_edges(HB.unsqueeze(-1), E_idx) + return neighbor_HB + + +def _rbf(D, num_rbf): + D_min, D_max, D_count = 0., 20., num_rbf + D_mu = torch.linspace(D_min, D_max, D_count).to(D.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(A, B, E_idx=None, num_rbf=16): + if E_idx is not None: + 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 = _rbf(D_A_B_neighbors, num_rbf) + else: + D_A_B = torch.sqrt(torch.sum((A[:,:,None,:] - B[:,:,None,:])**2,-1) + 1e-6) #[B, L, L] + RBF_A_B = _rbf(D_A_B, num_rbf) + return RBF_A_B + + +def _get_dist(A, B, E_idx=None, num_rbf=None): + if E_idx is not None: + D_A_B = torch.sqrt(torch.sum((A[:,:,None,:] - B[:,None,:,:])**2,-1) + 1e-6) #[B, L, L] + D_A_B = gather_edges(D_A_B[:,:,:,None], E_idx)[:,:,:,0] #[B,L,K] + else: + D_A_B = torch.sqrt(torch.sum((A[:,:,None,:] - B[:,:,None,:])**2,-1) + 1e-6) #[B, L, L] + return D_A_B + + +def _orientations_coarse_gl(X, E_idx, eps=1e-6): + X = X[:,:,:3,:].reshape(X.shape[0], 3*X.shape[1], 3) + dX = X[:,1:,:] - X[:,:-1,:] # CA-N, C-CA, N-C, CA-N... + U = _normalize(dX, dim=-1) + u_0, u_1 = U[:,:-2,:], U[:,1:-1,:] + n_0 = _normalize(torch.cross(u_0, u_1), dim=-1) + b_1 = _normalize(u_0 - u_1, dim=-1) + + n_0 = n_0[:,::3,:] + b_1 = b_1[:,::3,:] + X = X[:,::3,:] + + O = torch.stack((b_1, n_0, torch.cross(b_1, n_0)), 2) + O = O.view(list(O.shape[:2]) + [9]) + O = F.pad(O, (0,0,0,1), 'constant', 0) + + O_neighbors = gather_nodes(O, E_idx) + X_neighbors = gather_nodes(X, E_idx) + + O = O.view(list(O.shape[:2]) + [3,3]).unsqueeze(2) + O_neighbors = O_neighbors.view(list(O_neighbors.shape[:3]) + [3,3]) + + dX = X_neighbors - X.unsqueeze(-2) + dU = torch.matmul(O, dX.unsqueeze(-1)).squeeze(-1) + R = torch.matmul(O.transpose(-1,-2), O_neighbors) + feat = torch.cat((_normalize(dU, dim=-1), _quaternions(R)), dim=-1) + return feat + + +def _orientations_coarse_gl_tuple(X, E_idx, eps=1e-6): + V = X.clone() + X = X[:,:,:3,:].reshape(X.shape[0], 3*X.shape[1], 3) + dX = X[:,1:,:] - X[:,:-1,:] # CA-N, C-CA, N-C, CA-N... + U = _normalize(dX, dim=-1) + u_0, u_1 = U[:,:-2,:], U[:,1:-1,:] + n_0 = _normalize(torch.cross(u_0, u_1), dim=-1) + b_1 = _normalize(u_0 - u_1, dim=-1) + + n_0 = n_0[:,::3,:] + b_1 = b_1[:,::3,:] + X = X[:,::3,:] + Q = torch.stack((b_1, n_0, torch.cross(b_1, n_0)), 2) + Q = Q.view(list(Q.shape[:2]) + [9]) + Q = F.pad(Q, (0,0,0,1), 'constant', 0) + + Q_neighbors = gather_nodes(Q, E_idx) + X_neighbors = gather_nodes(V[:,:,1,:], E_idx) + N_neighbors = gather_nodes(V[:,:,0,:], E_idx) + C_neighbors = gather_nodes(V[:,:,2,:], E_idx) + O_neighbors = gather_nodes(V[:,:,3,:], E_idx) + + Q = Q.view(list(Q.shape[:2]) + [3,3]).unsqueeze(2) + Q_neighbors = Q_neighbors.view(list(Q_neighbors.shape[:3]) + [3,3]) + + dX = torch.stack([X_neighbors,N_neighbors,C_neighbors,O_neighbors], dim=3) - X[:,:,None,None,:] + dU = torch.matmul(Q[:,:,:,None,:,:], dX[...,None]).squeeze(-1) + B, N, K = dU.shape[:3] + E_direct = _normalize(dU, dim=-1) + E_direct = E_direct.reshape(B, N, K,-1) + R = torch.matmul(Q.transpose(-1,-2), Q_neighbors) + q = _quaternions(R) + + dX_inner = V[:,:,[0,2,3],:] - X.unsqueeze(-2) + dU_inner = torch.matmul(Q, dX_inner.unsqueeze(-1)).squeeze(-1) + dU_inner = _normalize(dU_inner, dim=-1) + V_direct = dU_inner.reshape(B,N,-1) + return V_direct, E_direct, q + + +def gather_edges(edges, neighbor_idx): + neighbors = neighbor_idx.unsqueeze(-1).expand(-1, -1, -1, edges.size(-1)) + return torch.gather(edges, 2, neighbors) + + +def gather_nodes(nodes, neighbor_idx): + neighbors_flat = neighbor_idx.view((neighbor_idx.shape[0], -1)) # [4, 317, 30]-->[4, 9510] + neighbors_flat = neighbors_flat.unsqueeze(-1).expand(-1, -1, nodes.size(2)) # [4, 9510, dim] + neighbor_features = torch.gather(nodes, 1, neighbors_flat) # [4, 9510, dim] + return neighbor_features.view(list(neighbor_idx.shape)[:3] + [-1]) # [4, 317, 30, 128] + + +def _quaternions(R): + 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))) + magnitudes = torch.abs(1 + torch.stack([ + Rxx - Ryy - Rzz, + -Rxx + Ryy - Rzz, + - Rxx - Ryy + Rzz + ],-1)) + magnitudes[magnitudes == 0.0] = 1e-12 + magnitudes = 0.5 * torch.sqrt(magnitudes) + + _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 + w = torch.sqrt(F.relu(1 + diag.sum(-1, keepdim=True))) / 2. + Q = torch.cat((xyz, w), -1) + return _normalize(Q, dim=-1) + + +def cuda(obj, *args, **kwargs): + """ + Transfer any nested container of tensors to CUDA. + """ + if hasattr(obj, "cuda"): + return obj.cuda(*args, **kwargs) + elif isinstance(obj, Mapping): + return type(obj)({k: cuda(v, *args, **kwargs) for k, v in obj.items()}) + elif isinstance(obj, Sequence): + return type(obj)(cuda(x, *args, **kwargs) for x in obj) + elif isinstance(obj, np.ndarray): + return torch.tensor(obj, *args, **kwargs) + + raise TypeError("Can't transfer object type `%s`" % type(obj)) diff --git a/Flexpert-Design/src/tools/logger.py b/Flexpert-Design/src/tools/logger.py new file mode 100644 index 0000000000000000000000000000000000000000..800da20f49399b67165f4efc40e1e958e8b59648 --- /dev/null +++ b/Flexpert-Design/src/tools/logger.py @@ -0,0 +1,48 @@ +from pytorch_lightning.callbacks import Callback +import os +import shutil +from omegaconf import OmegaConf + +class SetupCallback(Callback): + def __init__(self, now, logdir, ckptdir, cfgdir, config, argv_content=None): + super().__init__() + self.now = now + self.logdir = logdir + self.ckptdir = ckptdir + self.cfgdir = cfgdir + self.config = config + + self.argv_content = argv_content + + # 在pretrain例程开始时调用。 + def on_fit_start(self, trainer, pl_module): + # Create logdirs and save configs + os.makedirs(self.logdir, exist_ok=True) + os.makedirs(self.ckptdir, exist_ok=True) + os.makedirs(self.cfgdir, exist_ok=True) + + print("Project config") + print(OmegaConf.to_yaml(self.config)) + OmegaConf.save(self.config, + os.path.join(self.cfgdir, "{}-project.yaml".format(self.now))) + + with open(os.path.join(self.logdir, "argv_content.txt"), "w") as f: + f.write(str(self.argv_content)) + +class BackupCodeCallback(Callback): + def __init__(self, source_dir, backup_dir, ignore_patterns=None): + super().__init__() + self.source_dir = source_dir + self.backup_dir = backup_dir + self.ignore_patterns = ignore_patterns + + def on_train_start(self, trainer, pl_module): + try: + os.makedirs(self.backup_dir, exist_ok=True) + if os.path.exists(self.backup_dir+'/code'): + shutil.rmtree(self.backup_dir+'/code') + shutil.copytree(self.source_dir, self.backup_dir+'/code', ignore=self.ignore_patterns) + + print(f"Code file backed up to {self.backup_dir}") + except: + print(f"Fail in copying file backed up to {self.backup_dir}") \ No newline at end of file diff --git a/Flexpert-Design/src/tools/main_utils.py b/Flexpert-Design/src/tools/main_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..727a0ea11de6f597908bcefbaa5e508b7c7a1258 --- /dev/null +++ b/Flexpert-Design/src/tools/main_utils.py @@ -0,0 +1,166 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +import os +import logging +import numpy as np +import torch +import random +import torch.backends.cudnn as cudnn +from collections import OrderedDict +from typing import Tuple +from .config_utils import Config + +import torch +import torch.multiprocessing as mp +from torch import distributed as dist + + +def set_seed(seed): + random.seed(seed) + np.random.seed(seed) + torch.manual_seed(seed) + cudnn.deterministic = True + + +def print_log(message): + print(message) + logging.info(message) + + +def output_namespace(namespace): + configs = namespace.__dict__ + message = '' + for k, v in configs.items(): + message += '\n' + k + ': \t' + str(v) + '\t' + return message + + +def check_dir(path): + if not os.path.exists(path): + os.makedirs(path) + return False + return True + + +def get_dataset(config): + from src.datasets import load_data + return load_data(**config) + + +def count_parameters(model): + return sum(p.numel() for p in model.parameters() if p.requires_grad) + + +def measure_throughput(model, input_dummy): + bs = 100 + repetitions = 100 + if isinstance(input_dummy, tuple): + input_dummy = list(input_dummy) + _, T, C, H, W = input_dummy[0].shape + _input = torch.rand(bs, T, C, H, W).to(input_dummy[0].device) + input_dummy[0] = _input + input_dummy = tuple(input_dummy) + else: + _, T, C, H, W = input_dummy.shape + input_dummy = torch.rand(bs, T, C, H, W).to(input_dummy.device) + total_time = 0 + with torch.no_grad(): + for _ in range(repetitions): + starter, ender = torch.cuda.Event(enable_timing=True), torch.cuda.Event(enable_timing=True) + starter.record() + if isinstance(input_dummy, tuple): + _ = model(*input_dummy) + else: + _ = model(input_dummy) + ender.record() + torch.cuda.synchronize() + curr_time = starter.elapsed_time(ender) / 1000 + total_time += curr_time + Throughput = (repetitions * bs) / total_time + return Throughput + + +def load_config(filename:str = None): + """load and print config""" + print('loading config from ' + filename + ' ...') + try: + configfile = Config(filename=filename) + config = configfile._cfg_dict + except (FileNotFoundError, IOError): + config = dict() + print('warning: fail to load the config!') + return config + + +def update_config(args, config, exclude_keys=list()): + """update the args dict with a new config""" + assert isinstance(args, dict) and isinstance(config, dict) + for k in config.keys(): + if args.get(k, False): + if args[k] != config[k] and k not in exclude_keys: + print(f'overwrite config key -- {k}: {config[k]} -> {args[k]}') + else: + args[k] = config[k] + else: + args[k] = config[k] + return args + + +def weights_to_cpu(state_dict: OrderedDict) -> OrderedDict: + """Copy a model state_dict to cpu. + + Args: + state_dict (OrderedDict): Model weights on GPU. + + Returns: + OrderedDict: Model weights on GPU. + """ + state_dict_cpu = OrderedDict() + for key, val in state_dict.items(): + state_dict_cpu[key] = val.cpu() + # Keep metadata in state_dict + state_dict_cpu._metadata = getattr( # type: ignore + state_dict, '_metadata', OrderedDict()) + return state_dict_cpu + + +def init_dist(launcher: str, backend: str = 'nccl', **kwargs) -> None: + if mp.get_start_method(allow_none=True) is None: + mp.set_start_method('spawn') + if launcher == 'pytorch': + _init_dist_pytorch(backend, **kwargs) + elif launcher == 'mpi': + _init_dist_mpi(backend, **kwargs) + else: + raise ValueError(f'Invalid launcher type: {launcher}') + + +def _init_dist_pytorch(backend: str, **kwargs) -> None: + # TODO: use local_rank instead of rank % num_gpus + rank = int(os.environ['RANK']) + num_gpus = torch.cuda.device_count() + torch.cuda.set_device(rank % num_gpus) + dist.init_process_group(backend=backend, **kwargs) + + +def _init_dist_mpi(backend: str, **kwargs) -> None: + local_rank = int(os.environ['OMPI_COMM_WORLD_LOCAL_RANK']) + torch.cuda.set_device(local_rank) + if 'MASTER_PORT' not in os.environ: + # 29500 is torch.distributed default port + os.environ['MASTER_PORT'] = '29500' + if 'MASTER_ADDR' not in os.environ: + raise KeyError('The environment variable MASTER_ADDR is not set') + os.environ['WORLD_SIZE'] = os.environ['OMPI_COMM_WORLD_SIZE'] + os.environ['RANK'] = os.environ['OMPI_COMM_WORLD_RANK'] + dist.init_process_group(backend=backend, **kwargs) + + +def get_dist_info() -> Tuple[int, int]: + if dist.is_available() and dist.is_initialized(): + rank = dist.get_rank() + world_size = dist.get_world_size() + else: + rank = 0 + world_size = 1 + return rank, world_size diff --git a/Flexpert-Design/src/tools/metrics.py b/Flexpert-Design/src/tools/metrics.py new file mode 100644 index 0000000000000000000000000000000000000000..805296d2ade5ddb3ddb58bb4240d1f5576c3741d --- /dev/null +++ b/Flexpert-Design/src/tools/metrics.py @@ -0,0 +1,27 @@ +class CalMetric: + def __init__(self): + pass + + def diversity(self, S_pred, S_ref): + pass + + def recovery(self, S_pred, S_ref): + pass + + def MSE(self, S_pred, S_ref): + ''' + 输入: S_pred是算法预测的蛋白序列, S_ref是ground truth蛋白序列 + -->通过ESMFold预测S_pred和S_ref的蛋白结构, 并进行对齐, 计算MSE + 返回: MSE + ''' + X_pred = ESMFold(S_pred) + S_ref = ESMFold(S_ref) + X_pred, X_ref = align(X_pred, X_ref) + result = ComputeMSE(X_pred, X_ref) + return result + + def Robustness(self, model, X, S): + pass + + def Efficiency(self, model, X, S): + pass \ No newline at end of file diff --git a/Flexpert-Design/src/tools/parser.py b/Flexpert-Design/src/tools/parser.py new file mode 100644 index 0000000000000000000000000000000000000000..627855c3f449d67c89c332fedf873980f738f418 --- /dev/null +++ b/Flexpert-Design/src/tools/parser.py @@ -0,0 +1,134 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +import argparse + + +def create_parser(): + parser = argparse.ArgumentParser() + # Set-up parameters + parser.add_argument('--device', default='cuda', type=str, + help='Name of device to use for tensor computations (cuda/cpu)') + parser.add_argument('--display_step', default=10, type=int, + help='Interval in batches between display of training metrics') + parser.add_argument('--res_dir', default='./results', type=str) + parser.add_argument('--ex_name', default='debug', type=str) + parser.add_argument('--use_gpu', default=True, type=bool) + parser.add_argument('--gpu', default=0, type=int) + parser.add_argument('--seed', default=42, type=int) + parser.add_argument('--resume_from', type=str, default=None, help='the checkpoint file to resume from') + parser.add_argument('--auto_resume', action='store_true', default=False, + help='When training was interupted, resume from the latest checkpoint') + parser.add_argument('--test', action='store_true', default=False, help='Only performs testing') + + # dataset parameters + parser.add_argument('--data_name', '-d', default='CATH', type=str, + choices=['CATH', 'TS50', 'TS500', 'AlphaFold']) + parser.add_argument('--data_root', default='./data/', type=str) + parser.add_argument('--batch_size', '-b', default=16, type=int, help='Training batch size') + parser.add_argument('--num_workers', default=4, type=int) + # af dataset parameters + parser.add_argument('--upid', default='UP000000437_7955_DANRE_v2') + parser.add_argument('--limit_length', default=0, type=int) + parser.add_argument('--joint_data', default=0, type=int) + parser.add_argument('--score_thr', default=70.0, type=float) + + # method parameters + parser.add_argument('--method', '-m', default='PiFold', type=str, + choices=['PiFold', 'AlphaDesign', 'StructGNN', 'GraphTrans', 'GVP', 'GCA', 'ProteinMPNN', 'ESMIF'], + help='Name of CPD method to train (default: "PiFold")') + parser.add_argument('--config_file', '-c', default=None, type=str, + help='Path to the default config file') + + # Training parameters + parser.add_argument('--epoch', default=100, type=int, help='end epoch') + parser.add_argument('--log_step', default=1, type=int, help='Log interval by step') + parser.add_argument('--opt', default='adam', type=str, metavar='OPTIMIZER', + help='Optimizer (default: "adam"') + parser.add_argument('--opt_eps', default=None, type=float, metavar='EPSILON', + help='Optimizer epsilon (default: None, use opt default)') + parser.add_argument('--opt_betas', default=None, type=float, nargs='+', metavar='BETA', + help='Optimizer betas (default: None, use opt default)') + parser.add_argument('--momentum', type=float, default=0.9, metavar='M', + help='Optimizer sgd momentum (default: 0.9)') + parser.add_argument('--weight_decay', default=0., type=float, help='Weight decay') + parser.add_argument('--sched', default='onecycle', type=str, metavar='SCHEDULER', + help='LR scheduler (default: "onecycle"') + parser.add_argument('--lr', default=0.001, type=float, help='Learning rate') + parser.add_argument('--lr_k_decay', type=float, default=1.0, + help='learning rate k-decay for cosine/poly (default: 1.0)') + parser.add_argument('--warmup_lr', type=float, default=1e-5, metavar='LR', + help='warmup learning rate (default: 1e-5)') + parser.add_argument('--min_lr', type=float, default=1e-6, metavar='LR', + help='lower lr bound for cyclic schedulers that hit 0 (1e-5)') + parser.add_argument('--final_div_factor', type=float, default=1e4, + help='min_lr = initial_lr/final_div_factor for onecycle scheduler') + parser.add_argument('--warmup_epoch', type=int, default=5, metavar='N', + help='epochs to warmup LR, if scheduler supports') + parser.add_argument('--decay_epoch', type=float, default=100, metavar='N', + help='epoch interval to decay LR') + parser.add_argument('--decay_rate', '--dr', type=float, default=0.1, metavar='RATE', + help='LR decay rate (default: 0.1)') + parser.add_argument('--filter_bias_and_bn', type=bool, default=False, + help='LR decay rate (default: 0.1)') + parser.add_argument('--patience', default=20, type=int, + help='patient epochs for early stopping') + parser.add_argument('--augment_eps', default=0.0, type=float, help='augment_eps') + parser.add_argument('--removeTS', default=0, type=int, + help='remove training and validation samples that have 30+% similarity to TS50 and TS500') + + # feature parameters + parser.add_argument('--node_dist', default=1, type=int) + parser.add_argument('--node_angle', default=1, type=int) + parser.add_argument('--node_direct', default=1, type=int) + parser.add_argument('--edge_dist', default=1, type=int) + parser.add_argument('--edge_angle', default=1, type=int) + parser.add_argument('--edge_direct', default=1, type=int) + + parser.add_argument('--edge_dist_remove_Ca', default=0, type=int) + parser.add_argument('--edge_dist_remove_C', default=0, type=int) + parser.add_argument('--edge_dist_remove_N', default=0, type=int) + parser.add_argument('--edge_dist_remove_O', default=0, type=int) + parser.add_argument('--virtual_num', default=3, type=int) + parser.add_argument('--edge_dist_only_Ca', default=0, type=int) + parser.add_argument('--edge_dist_only_Ca_Ca', default=0, type=int) + parser.add_argument('--edge_dist_only_self', default=0, type=int) + + parser.add_argument('--Ca_Ca', default=1, type=int) + parser.add_argument('--Ca_C', default=1, type=int) + parser.add_argument('--Ca_N', default=1, type=int) + parser.add_argument('--Ca_O', default=1, type=int) + parser.add_argument('--C_C', default=1, type=int) + parser.add_argument('--C_N', default=1, type=int) + parser.add_argument('--C_O', default=1, type=int) + parser.add_argument('--N_N', default=1, type=int) + parser.add_argument('--N_O', default=1, type=int) + parser.add_argument('--O_O', default=1, type=int) + + # debug parameters + parser.add_argument('--proteinmpnn_type', default=0, type=int) + parser.add_argument('--num_decoder_layers1', default=3, type=int) + parser.add_argument('--kernel_size1', default=3, type=int) + parser.add_argument('--act_type', default='silu', type=str) + parser.add_argument('--num_decoder_layers2', default=3, type=int) + parser.add_argument('--kernel_size2', default=3, type=int) + parser.add_argument('--glu', default=0, type=int) + parser.add_argument('--dihedral_type', default=0, type=int) + parser.add_argument('--NAT', default=3, type=int) + + # AlphaDesign parameters + parser.add_argument('--num_encoder_layers', default=10, type=int) + parser.add_argument('--node_context', default=1, type=int) + parser.add_argument('--edge_context', default=0, type=int) + parser.add_argument('--AT_layer_num', default=3, type=int) + + # Adesign_plus parameters + parser.add_argument('--att_layer', default=1, type=int) + parser.add_argument('--cnn_layer', default=3, type=int) + + # refine + parser.add_argument('--refine_seq', default=0, type=int) + parser.add_argument('--refine_itr', default=3, type=int) + parser.add_argument('--wandb', default=0, type=int) + parser.add_argument('--egnn', default=0, type=int) + + return parser diff --git a/Flexpert-Design/src/tools/sequence_sampler.py b/Flexpert-Design/src/tools/sequence_sampler.py new file mode 100644 index 0000000000000000000000000000000000000000..9f0cb631ecde02fa43b09964dd049bae424ae70b --- /dev/null +++ b/Flexpert-Design/src/tools/sequence_sampler.py @@ -0,0 +1,173 @@ +import torch +import torch.nn.functional as F +import torchmetrics +from src.tools.utils import load_yaml_config +from tqdm import tqdm + +class SequenceSampler(): + def __init__(self, num_sequences, sampling_temperature, sampling_type = 'primitive', bfactor_recovery_metric = 'pearson_R', pMPNN_model = None) -> None: + self.num_sequences = num_sequences + self.temperature = sampling_temperature + self.primitively_sampled = None + self.hard_sampled = None + self.bfactor_predictor = None + self.device = 'cuda' if torch.cuda.is_available() else 'cpu' + self.pMPNN_model = pMPNN_model.to(self.device) if pMPNN_model else None + + + if sampling_type == 'primitive': + self.chosen_sampling = self.primitive_sampling + elif sampling_type == 'pMPNN': + if not pMPNN_model: + raise ValueError('pMPNN model must be provided for pMPNN sampling') + self.chosen_sampling = self.proteinMPNN_sampling + else: + raise NotImplementedError + + if bfactor_recovery_metric == 'pearson_R': + self.bfactor_recovery_metric = torchmetrics.PearsonCorrCoef().to(self.device) + else: + raise NotImplementedError + + #For now, sample from the logits / softmax + + #TODO: implement ProteinMPNN sampling + + def softmax_with_temperature(self, logits): + # Scale logits by the temperature + scaled_logits = logits / self.temperature + # Compute softmax + probabilities = torch.softmax(scaled_logits, dim=-1) + return probabilities + + def sample_from_logits(self, logits): + probabilities = self.softmax_with_temperature(logits) + # Sample from the categorical distribution based on the computed probabilities + categorical = torch.distributions.Categorical(probabilities) + return categorical.sample() + + def proteinMPNN_sampling(self, logits, batch = None): + if not batch: + raise ValueError('Batch featurized for ProteinMPNN must be provided for pMPNN sampling') + + with torch.no_grad(): + retVal = [] + for i in range(self.num_sequences): + X, S, mask, chain_M, chain_M_pos, residue_idx, chain_encoding_all = batch['X'], batch['S'], batch['mask'], batch['chain_M'], batch['chain_M_pos'], batch['residue_idx'], batch['chain_encoding_all'] + randn = torch.randn(chain_M.shape, device=X.device) + sampled_seq = self.pMPNN_model.sample(X=X, randn = randn, S_true = S, chain_mask = chain_M, chain_M_pos = chain_M_pos , chain_encoding_all = chain_encoding_all, residue_idx = residue_idx, mask=mask, temperature=self.temperature) + # X, randn, S_true, chain_mask, chain_encoding_all, residue_idx, mask=None, temperature=1.0 + retVal.append(sampled_seq['S']) + return retVal + + def primitive_sampling(self, logits, batch = None): #leads to poor sequences ignoring the context of already decoded AAs + retVal = [] + for i in range(self.num_sequences): + retVal.append(self.sample_from_logits(logits)) + return retVal + + def load_bfactor_predictor(self, config_path = './src/models/configs/FlexibilityProtTrans.yaml'): + print('Loading model based on the configs:', config_path) + # print('Setting precision to medium') + # torch.set_float32_matmul_precision('medium') + from src.models.prottrans import FlexibilityProtTrans + flex_params = load_yaml_config(config_path) + # flex_params_dict = OmegaConf.to_container(flex_params, resolve=True) + self.bfactor_predictor = FlexibilityProtTrans(**flex_params) + + + def hard_sampling(self, logits): + retVal = torch.argmax(logits, dim=-1) + return retVal + + def eval_oracle_recovery(self, gt_seq, logits, mask, batch = None): + hard_recovery, oracle_recovery = None, 0 + sampled_seqs = self.chosen_sampling(logits, batch=batch) + hard_seq = self.hard_sampling(logits) + + hard_cmp = hard_seq==gt_seq + hard_recovery = (hard_cmp*mask).sum()/(mask.sum()) + + sampled_recoveries = [hard_recovery] + for seq in sampled_seqs: + oracle_cmp = seq==gt_seq + _sampled_recovery = (oracle_cmp*mask).sum()/(mask.sum()) + sampled_recoveries.append(_sampled_recovery) + + oracle_recovery = max(sampled_recoveries) + + return hard_recovery, oracle_recovery + + def eval_bfactor_profile_recovery(self, gt_bfactors, gt_seq, logits, mask, batch = None): + if not self.bfactor_predictor: + self.load_bfactor_predictor() + + + seq_recovery_by_bfactor_profile = 0 + + sampled_seqs = self.chosen_sampling(logits, batch=batch) + hard_seq = self.hard_sampling(logits) + sampled_seqs.append(hard_seq) + + bfactor_recoveries = [] + bfact_to_seq = {} + for seq in tqdm(sampled_seqs): + ### TODO adapt below + #New Dynamics-aware loss + one_hot_seq = F.one_hot(seq, num_classes=33) + flex_model_input = one_hot_seq.permute(0, 2, 1).float().to(self.device) + pred_bfactors = self.bfactor_predictor(flex_model_input)['predicted_normalized_bfactors'][:,:-1,0] + + _filter_nans_mask = ~torch.isnan(pred_bfactors) #torch.where(~torch.isnan(flex_loss)) + _flex_mask = mask*_filter_nans_mask + _flex_mask = _flex_mask.int() + bfactor_recovery = self.bfactor_recovery_metric(pred_bfactors[torch.where(_flex_mask)], gt_bfactors[torch.where(_flex_mask)]) + bfact_to_seq[bfactor_recovery] = seq + bfactor_recoveries.append(bfactor_recovery) + + seq_selected_by_bfact = bfact_to_seq[max(bfactor_recoveries)] + # import pdb; pdb.set_trace() + _cmp = seq_selected_by_bfact==gt_seq + seq_recovery_by_bfactor_profile = (_cmp*mask).sum()/(mask.sum()) + + return seq_recovery_by_bfactor_profile + + def eval_multiple_predictions_oracle(self, predictions): + hard_recovery, oracle_recovery = [], [] + print('Evaluating sequence recovery by oracle...') + for pred in tqdm(predictions): + _hr, _or = self.eval_oracle_recovery(logits = pred['log_probs'], mask = pred['mask'], gt_seq = pred['original_sequence'], batch=pred['batch']) + hard_recovery.append(_hr) + oracle_recovery.append(_or) + return hard_recovery, oracle_recovery + + +class SamplerGrid(): + def __init__(self, sample_sizes: list, sampling_temperatures: list, sampling_type = 'primitive', pMPNN_model = None) -> None: + self.samplers = [SequenceSampler(s,t, sampling_type, pMPNN_model=pMPNN_model) for t in sampling_temperatures for s in sample_sizes] + self.device = torch.device('cuda') if torch.cuda.is_available() else torch.device('cpu') + + def get_optimal_sampler(self, predictions): + oracle_recoveries = [] + for sampler in self.samplers: + hard_recovery, oracle_recovery = sampler.eval_multiple_predictions_oracle(predictions) #here + avg_hard_recovery = sum(hard_recovery)/len(hard_recovery) + avg_oracle_recovery = sum(oracle_recovery)/len(oracle_recovery) + oracle_recoveries.append(avg_oracle_recovery) + print(f'T = {sampler.temperature}, Sample_size = {sampler.num_sequences}, Average hard recovery: {avg_hard_recovery}, average oracle recovery: {avg_oracle_recovery}') + + best_sampler = self.samplers[oracle_recoveries.index(max(oracle_recoveries))] + print(f'Best sampler: T = {best_sampler.temperature}, Sample_size = {best_sampler.num_sequences}, with oracle recovery: {max(oracle_recoveries)}') + return best_sampler + + def eval_bfactor_selection(self, predictions, sampler = None): + if not sampler: + sampler = self.get_optimal_sampler(predictions) + recoveries = [] + print('Evaluating sequence recovery by bfactor profile...') + for pred in tqdm(predictions): + seq_recovery_by_bfactor_profile = sampler.eval_bfactor_profile_recovery(logits = pred['log_probs'], mask = pred['mask'], gt_seq = pred['original_sequence'], gt_bfactors = pred['gt_bfactors'], batch = pred['batch']) # + recoveries.append(seq_recovery_by_bfactor_profile) + avg_recovery = sum(recoveries)/len(recoveries) + print(f'Average sequence recovery by bfactor profile: {avg_recovery}') + return avg_recovery \ No newline at end of file diff --git a/Flexpert-Design/src/tools/utils.py b/Flexpert-Design/src/tools/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..21334a94ae21891453790a39f53af175acd335f6 --- /dev/null +++ b/Flexpert-Design/src/tools/utils.py @@ -0,0 +1,108 @@ +import torch +import numpy as np +from collections.abc import Mapping, Sequence +from tqdm.auto import tqdm +from joblib import Parallel, delayed, cpu_count +from joblib.externals.loky import set_loky_pickler +import yaml + +def load_yaml_config(filepath): + with open(filepath, 'r') as file: + config = yaml.safe_load(file) + return config + +def cuda(obj, *args, **kwargs): + """ + Transfer any nested conatiner of tensors to CUDA. + """ + if hasattr(obj, "cuda"): + return obj.cuda(*args, **kwargs) + elif isinstance(obj, Mapping): + return type(obj)({k: cuda(v, *args, **kwargs) for k, v in obj.items()}) + elif isinstance(obj, Sequence): + if isinstance(obj, str): + return obj + return type(obj)(cuda(x, *args, **kwargs) for x in obj) + elif isinstance(obj, np.ndarray): + return torch.tensor(obj, *args, **kwargs) + elif isinstance(obj, T): + return obj.to(*args, **kwargs) + else: + return obj + + + raise TypeError("Can't transfer object type `%s`" % type(obj)) + +def pmap_multi(pickleable_fn, data, n_jobs=None, verbose=1, desc=None, **kwargs): + """ + + Parallel map using joblib. + + Parameters + ---------- + pickleable_fn : callable + Function to map over data. + data : iterable + Data over which we want to parallelize the function call. + n_jobs : int, optional + The maximum number of concurrently running jobs. By default, it is one less than + the number of CPUs. + verbose: int, optional + The verbosity level. If nonzero, the function prints the progress messages. + The frequency of the messages increases with the verbosity level. If above 10, + it reports all iterations. If above 50, it sends the output to stdout. + kwargs + Additional arguments for :attr:`pickleable_fn`. + + Returns + ------- + list + The i-th element of the list corresponds to the output of applying + :attr:`pickleable_fn` to :attr:`data[i]`. + """ + if n_jobs is None: + n_jobs = cpu_count() - 1 + # n_jobs = 60 + results = Parallel(n_jobs=n_jobs, verbose=verbose, timeout=None)( + delayed(pickleable_fn)(*d, **kwargs) for i, d in tqdm(enumerate(data),desc=desc) + ) + + return results + + + +def modulo_with_wrapped_range( + vals, range_min: float = -np.pi, range_max: float = np.pi +): + """ + Modulo with wrapped range -- capable of handing a range with a negative min + + >>> modulo_with_wrapped_range(3, -2, 2) + -1 + """ + assert range_min <= 0.0 + assert range_min < range_max + + # Modulo after we shift values + top_end = range_max - range_min + # Shift the values to be in the range [0, top_end) + vals_shifted = vals - range_min + # Perform modulo + vals_shifted_mod = vals_shifted % top_end + # Shift back down + retval = vals_shifted_mod + range_min + + # Checks + # print("Mod return", vals, " --> ", retval) + # if isinstance(retval, torch.Tensor): + # notnan_idx = ~torch.isnan(retval) + # assert torch.all(retval[notnan_idx] >= range_min) + # assert torch.all(retval[notnan_idx] < range_max) + # else: + # assert ( + # np.nanmin(retval) >= range_min + # ), f"Illegal value: {np.nanmin(retval)} < {range_min}" + # assert ( + # np.nanmax(retval) <= range_max + # ), f"Illegal value: {np.nanmax(retval)} > {range_max}" + return retval \ No newline at end of file diff --git a/Flexpert-Design/src/version.py b/Flexpert-Design/src/version.py new file mode 100644 index 0000000000000000000000000000000000000000..8b2f7aaa60c1f6e4a0432767169099d2a07e79fb --- /dev/null +++ b/Flexpert-Design/src/version.py @@ -0,0 +1,28 @@ +# Copyright (c) CAIRI AI Lab. All rights reserved + +__version__ = '0.1.0' + + +def parse_version_info(version_str): + """Parse a version string into a tuple. + + Args: + version_str (str): The version string. + Returns: + tuple[int | str]: The version info, e.g., "0.1.0" is parsed into + (0, 1, 0), and "2.0.0rcx" is parsed into (2, 0, 0, 'rcx'). + """ + version_info = [] + for x in version_str.split('.'): + if x.isdigit(): + version_info.append(int(x)) + elif x.find('rc') != -1: + patch_version = x.split('rc') + version_info.append(int(patch_version[0])) + version_info.append(f'rc{patch_version[1]}') + return tuple(version_info) + + +version_info = parse_version_info(__version__) + +__all__ = ['__version__', 'version_info', 'parse_version_info'] diff --git a/Flexpert-Design/train.py b/Flexpert-Design/train.py new file mode 100644 index 0000000000000000000000000000000000000000..023dd27b2bb681e76d4082b06e41a9a2d5d64054 --- /dev/null +++ b/Flexpert-Design/train.py @@ -0,0 +1,212 @@ +import os, sys, warnings, argparse, math, tqdm, datetime +import pytorch_lightning as pl +import torch +from pytorch_lightning.trainer import Trainer +import pytorch_lightning.callbacks as plc +import pytorch_lightning.loggers as plog +from model_interface import MInterface +from data_interface import DInterface +from src.tools.logger import SetupCallback, BackupCodeCallback +from shutil import ignore_patterns + +import wandb +warnings.filterwarnings("ignore") + +def create_parser(): + parser = argparse.ArgumentParser() + # Set-up parameters + parser.add_argument('--res_dir', default='./train/results', type=str) + parser.add_argument('--ex_name', default='debug', type=str) + parser.add_argument('--check_val_every_n_epoch', default=1, type=int) + parser.add_argument('--stage', default='fit', type=str) #'fit', 'test' or 'predict' + parser.add_argument('--val_check_interval', default=0.5, type=float, help='Validation check interval') + + parser.add_argument('--dataset', default='FLEX_CATH4.3') # AF2DB_dataset, CATH_dataset + parser.add_argument('--model_name', default='ProteinMPNN', choices=['StructGNN', 'GraphTrans', 'GVP', 'GCA', 'AlphaDesign', 'ESMIF', 'PiFold', 'ProteinMPNN', 'KWDesign', 'E3PiFold']) + parser.add_argument('--lr', default=4e-4, type=float, help='Learning rate') + parser.add_argument('--lr_scheduler', default='onecycle') + parser.add_argument('--offline', default=1, type=int) + parser.add_argument('--seed', default=111, type=int) + + # dataset parameters + parser.add_argument('--batch_size', default=32, type=int) + parser.add_argument('--num_workers', default=12, type=int) + parser.add_argument('--pad', default=1024, type=int) + parser.add_argument('--min_length', default=40, type=int) + parser.add_argument('--data_root', default='../data/') + parser.add_argument('--infer_path', default='', type=str) + + # Training parameters + parser.add_argument('--epoch', default=10, type=int, help='end epoch') + parser.add_argument('--augment_eps', default=0.0, type=float, help='noise level') + parser.add_argument('--gpus', default=1, type=int, help='how many GPUs to train on') + parser.add_argument('--weight_decay', default=0.0, type=float, help='Weight decay for optimizer') + + # Eval parameters + parser.add_argument('--eval_sequences_sampled', default=1, type=int, help='How many sequences to sample in evaluation.') + parser.add_argument('--eval_sequences_temperature', default=0, type=float, help='What temperature to use for the sampling in evaluation.') + parser.add_argument('--eval_output_dir', default=None, type=str, help='Where to save the evaluation output.') + + # Model parameters + parser.add_argument('--use_dist', default=1, type=int) + parser.add_argument('--use_product', default=0, type=int) + parser.add_argument('--use_pmpnn_checkpoint', type=int, help='By 1 or 0 decide whether to start with pretrained ProteinMPNN.') + + # Dynamics aware parameters + parser.add_argument('--use_dynamics', default=0, type=int) + parser.add_argument('--flex_loss_coeff', default=0.5, type=float) + parser.add_argument('--get_gt_flex_onthefly', default=0, type=int, help='Flag to get ground truth flexibility on-the-fly (with subsequent caching)') + parser.add_argument('--init_flex_features', default=1, type=int, help="Set to 0 if no flexibility information should be passed on input to the node features h_V") + parser.add_argument('--loss_fn', default='MSE', type=str, help= 'Define what loss to use. Choose MSE, L1 or DPO.') + parser.add_argument('--grad_normalization', default=0, type=int, help="Set to 0 if the gradients of the seq and flex losses should not be normalized.") + parser.add_argument('--test_engineering', default=0, type=int, help="In this main.py should be set to 0 to not overwrite the training dataset.") + + args = parser.parse_args() + return args + + + + +def load_callbacks(args): + callbacks = [] + + logdir = str(os.path.join(args.res_dir, args.ex_name)) + + ckptdir = os.path.join(logdir, "checkpoints") + + callbacks.append(BackupCodeCallback(os.path.dirname(args.res_dir),logdir, ignore_patterns=ignore_patterns('results*', 'pdb*', 'metadata*', 'vq_dataset*'))) + + + metric = "recovery" + sv_filename = 'best-{epoch:02d}-{recovery:.3f}' + callbacks.append(plc.ModelCheckpoint( + monitor=metric, + filename=sv_filename, + save_top_k=15, + mode='max', + save_last=True, + dirpath = ckptdir, + verbose = True, + every_n_epochs = args.check_val_every_n_epoch, + )) + + + now = datetime.datetime.now().strftime("%m-%dT%H-%M-%S") + cfgdir = os.path.join(logdir, "configs") + callbacks.append( + SetupCallback( + now = now, + logdir = logdir, + ckptdir = ckptdir, + cfgdir = cfgdir, + config = args.__dict__, + argv_content = sys.argv + ["gpus: {}".format(args.gpus)],) + ) + + + if args.lr_scheduler: + callbacks.append(plc.LearningRateMonitor( + logging_interval=None)) + return callbacks + + + +if __name__ == "__main__": + + args = create_parser() + if args.stage == 'predict': + args.batch_size = 1 + print('In the predict stage, defaulting batch size to 1.') + + + if (len(args.infer_path) > 0 or args.dataset=='PDBInference') and (len(args.infer_path) == 0 or args.dataset!='PDBInference'): + raise ValueError("You should only use --infer_path with --dataset 'PDBInference' and vice versa.") + + pl.seed_everything(args.seed) + + data_module = DInterface(**vars(args)) + + data_module.setup(stage=args.stage) #here is the cache_data called + + gpu_count = args.gpus #torch.cuda.device_count() + if args.stage == 'fit': + args.steps_per_epoch = math.ceil(len(data_module.trainset)/args.batch_size/gpu_count) + print(f"steps_per_epoch {args.steps_per_epoch}, gpu_count {gpu_count}, batch_size{args.batch_size}") + + + model = MInterface(**vars(args)) + + trainer_config = { + 'devices': args.gpus, + 'max_epochs': args.epoch, + 'num_nodes': 1, + "strategy": 'ddp', + "precision": '32', + 'accelerator': 'gpu', + 'callbacks': load_callbacks(args), + 'logger': plog.WandbLogger( + project = 'ICLR2025', + name=args.ex_name, + save_dir=str(os.path.join(args.res_dir, args.ex_name)), + offline = args.offline, + id = "_".join(args.ex_name.split("/")), + entity = "koubic"), + 'val_check_interval': args.val_check_interval, + 'check_val_every_n_epoch': args.check_val_every_n_epoch + } + + trainer = Trainer(**trainer_config) + + if args.stage =='fit': + trainer.fit(model, data_module) + elif args.stage == 'test': + test_out = trainer.test(model,data_module) + elif args.stage == 'eval': + from transformers import AutoTokenizer + tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t33_650M_UR50D", cache_dir='./cache_dir/') + + predictions = trainer.predict(model, data_module) #Just 1015 proteins loaded since they are required to be shorther than 500 residues + out_dict = {} + for pred in tqdm.tqdm(predictions): + logprobs = pred['log_probs'] + for i in range(args.eval_sequences_sampled): + + if args.eval_sequences_temperature > 0 or args.eval_sequences_sampled > 1: + raise NotImplementedError('Sampling with temperature is not implemented yet.') #TODO!!! + else: + AA_indices = logprobs.argmax(dim=-1, keepdim=False) + + decoded_seqs = tokenizer.batch_decode(AA_indices,skip_special_tokens=True) + + for title, seq, mask in zip(pred['title'],decoded_seqs, pred['mask']): + _seq = [letter for letter,cond in zip(seq.split(' '),mask) if cond] + seq_cat = ''.join(_seq) + out_dict[title] = seq_cat + with open(os.path.join(args.eval_output_dir,'inverse_folded_ATLAS.fasta'), 'w') as f: + for pdb_name, seq in out_dict.items(): + f.write(f">{pdb_name}\n{seq}\n") + + elif args.stage == 'predict': + predictions = trainer.predict(model, data_module) + predictions_cuda = [] + for pred in predictions: + _pred_cuda = {} + for k, v in pred.items(): + if isinstance(v, torch.Tensor): + _pred_cuda[k] = v.to(torch.device('cuda')) + _pred_cuda['batch'] = {k: pred['batch'][k].to(torch.device('cuda')) for k in ('X', 'S', 'mask', 'chain_M', 'chain_M_pos', 'residue_idx', 'chain_encoding_all')} + predictions_cuda.append(_pred_cuda) + + seriazable_predictions = [] + for pred in predictions: + ser_pred = {} + for k, v in pred.items(): + if isinstance(v, torch.Tensor): + ser_pred[k] = v.cpu().numpy().tolist() + else: + ser_pred[k] = v + seriazable_predictions.append(ser_pred) + + import json + with open(f'{args.infer_path}/predictions.json', 'w') as f: + json.dump(seriazable_predictions, f) diff --git a/Flexpert-Design/train/results/MSEloss_flex_cath_coeff_0.8/checkpoints/last.ckpt b/Flexpert-Design/train/results/MSEloss_flex_cath_coeff_0.8/checkpoints/last.ckpt new file mode 120000 index 0000000000000000000000000000000000000000..d44ea5372203c46af1ea005b2bd768a60b377c02 --- /dev/null +++ b/Flexpert-Design/train/results/MSEloss_flex_cath_coeff_0.8/checkpoints/last.ckpt @@ -0,0 +1 @@ +best-epoch=11-recovery=0.483.ckpt \ No newline at end of file diff --git a/Flexpert-Design/vanilla_mpnn_weights/best-epoch=99-recovery=0.485.ckpt b/Flexpert-Design/vanilla_mpnn_weights/best-epoch=99-recovery=0.485.ckpt new file mode 100644 index 0000000000000000000000000000000000000000..790f257fb61f87dc1e90e8e17245cfe6bd67dc00 --- /dev/null +++ b/Flexpert-Design/vanilla_mpnn_weights/best-epoch=99-recovery=0.485.ckpt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:772e94d76b43bb3466d9e4a35be8f13e944db2bad4e2aa247b93c83698ba2954 +size 20128819 diff --git a/Flexpert_logo.png b/Flexpert_logo.png new file mode 100644 index 0000000000000000000000000000000000000000..d20dc50ef00c109c6f960b8e03d01be74489bfe6 Binary files /dev/null and b/Flexpert_logo.png differ diff --git a/__pycache__/predict.cpython-313.pyc b/__pycache__/predict.cpython-313.pyc new file mode 100644 index 0000000000000000000000000000000000000000..7cd48da60d222d6ac1d48bc1f1aa1062e2e9f0f1 Binary files /dev/null and b/__pycache__/predict.cpython-313.pyc differ diff --git a/app.py b/app.py new file mode 100644 index 0000000000000000000000000000000000000000..9be621a7e5e9c8788f528bb8c8811aa9aa4c4f5a --- /dev/null +++ b/app.py @@ -0,0 +1,522 @@ +import sys +import os +import gradio as gr +from data.scripts.data_utils import parse_PDB +from utils.utils import ClassConfig, DataCollatorForTokenRegression, process_in_batches_and_combine, get_dot_separated_name +from models.T5_encoder_per_token import PT5_classification_model +from data.scripts.get_enm_fluctuations_for_dataset import get_fluctuation_for_json_dict +import argparse +import yaml +import torch +from pathlib import Path +from Bio import SeqIO +import json +import os +import warnings +from datetime import datetime +from pathlib import Path +BASE_DIR = Path(__file__).resolve().parent +LOCAL_COMPONENT_PATH = BASE_DIR / "gradio_molecule3d" / "backend" +sys.path.insert(0, str(LOCAL_COMPONENT_PATH)) +from gradio_molecule3d.molecule3d import Molecule3D +from Bio.PDB import PDBParser, PDBIO + +from data.scripts.data_utils import modify_bfactor_biotite + +def process_pdb_file(pdb_file, backbones, sequences, names): + parsed_name = os.path.splitext(os.path.basename(pdb_file))[0].split('_') + if len(parsed_name[0]) != 4 or len(parsed_name[1]) != 1 or not parsed_name[1].isalpha(): + raise ValueError("PDB file name is expected to be in the format of 'name_chain.pdb', e.g.: 1BUI_C.pdb") + _name = parsed_name[0] + _chain = parsed_name[1] + parsed_pdb = parse_PDB(pdb_file, name=_name, input_chain_list=[_chain])[0] + backbone, sequence = parsed_pdb['coords_chain_{}'.format(_chain)], parsed_pdb['seq_chain_{}'.format(_chain)] + if len(sequence) > 1023: + print("Sequence length is greater than 1023, skipping {}".format(_name + "." + _chain)) + else: + backbones.append(backbone) + sequences.append(sequence) + names.append(_name + "." + _chain) + return backbones, sequences, names + +def flex_seq(input_seq, input_file, output_name, output_fasta, splits, split_detection): + if not input_seq.strip() and not input_file: + return None, "Provide a file or a input sequence" + + if input_file: + if len(input_file) == 1: + input_file = input_file[0] + filename, suffix = os.path.splitext(input_file) + else: + suffix = ".pdb_list" + + if not output_name: + default_name = 'untitled_{}'.format(datetime.now().strftime('%Y%m%d_%H%M%S')) + output_name = default_name + warnings.warn("Output name is not provided, using default name: {}".format(default_name)) + + sequences = [] + names = [] + backbones = [] + flucts_list = [] + pdb_files = [] + + if splits: + splits = json.load(splits) + if 'val' in splits.keys() and split_detection == 'validation': + split_detection = 'val' + elif 'validation' in splits.keys() and split_detection == 'val': + split_detection = 'validation' + + datapoint_for_eval = splits[split_detection] + else: + datapoint_for_eval = 'all' + + if input_seq: + proteins = input_seq.split('\n') + for record in proteins: + if ':' in record: + s = record.split(":") + name = s[0] + sequence = s[1] + else: + raise ValueError("Sequence name must contain either an underscore or a dot to separate the PDB code and the chain code.") + + # Normalize name: convert underscore to dot if present + if '_' in name: + name = '.'.join(name.split('_')) + elif '.' in name: + name = name # keep dot as is + else: + raise ValueError("Sequence name must contain either an underscore or a dot to separate the PDB code and the chain code.") + + if datapoint_for_eval == 'all' or name in datapoint_for_eval: + names.append(name) + sequences.append(sequence) + backbones.append(None) + + elif suffix == ".fasta": + for record in SeqIO.parse(input_file, "fasta"): + if '_' in record.name: + dot_separated_name = '.'.join(record.name.split('_')) + elif '.' in record.name: + dot_separated_name = record.name + else: + raise ValueError("Sequence name must contain either an underscore or a dot to separate the PDB code and the chain code.") + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + names.append(dot_separated_name) + sequences.append(str(record.seq)) + backbones.append(None) + + elif suffix == ".pdb": + backbones, sequences, names = process_pdb_file(input_file, backbones, sequences, names) + pdb_files.append(input_file) + + elif suffix == ".jsonl": + for line in open(input_file, 'r'): + _dict = json.loads(line) + + if 'fluctuations' in _dict.keys(): + print("fluctuations are precomputed, using them") + dot_separated_name = get_dot_separated_name(key='pdb_name', _dict=_dict) + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + + names.append(_dict['pdb_name']) + backbones.append(None) + sequences.append(_dict['sequence']) + + flucts_list.append(_dict['fluctuations']+[0.0]) #padding for end cls token + continue + + dot_separated_name = get_dot_separated_name(key='name', _dict=_dict) + + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + backbones.append(_dict['coords']) + sequences.append(_dict['seq']) + names.append(dot_separated_name) + + elif suffix == ".pdb_list": + for i in input_file: + backbones, sequences, names = process_pdb_file(i, backbones, sequences, names) + pdb_files.append(i) + + env_config = yaml.load(open('configs/env_config.yaml', 'r'), Loader=yaml.FullLoader) + # Set folder for huggingface cache + os.environ['HF_HOME'] = env_config['huggingface']['HF_HOME'] + # Set gpu device + os.environ["CUDA_VISIBLE_DEVICES"]= env_config['gpus']['cuda_visible_device'] + + config = yaml.load(open('configs/train_config.yaml', 'r'), Loader=yaml.FullLoader) + class_config=ClassConfig(config) + class_config.adaptor_architecture = 'no-adaptor' + model, tokenizer = PT5_classification_model(half_precision=config['mixed_precision'], class_config=class_config) + model.to(config['inference_args']['device']) + state_dict = torch.load(config['inference_args']['seq_model_path'], map_location=config['inference_args']['device']) + model.load_state_dict(state_dict, strict=False) + model.eval() + + data_to_collate = [] + for idx, (backbone, sequence) in enumerate(zip(backbones, sequences)): + #Ensure that the missing residues in the sequence are not represented as '-' but as 'X' + sequence = sequence.replace('-', 'X') #due to the tokenizer vocabulary + + tokenizer_out = tokenizer(' '.join(sequence), add_special_tokens=True, return_tensors='pt') + tokenized_seq, attention_mask = tokenizer_out['input_ids'].to(config['inference_args']['device']), tokenizer_out['attention_mask'].to(config['inference_args']['device']) + + data_to_collate.append({'input_ids': tokenized_seq[0,:], 'attention_mask': attention_mask[0,:]}) + + data_collator = DataCollatorForTokenRegression(tokenizer) + batch = data_collator(data_to_collate) # Wrap in list since collator expects batch + batch.to(model.device) + for key in batch.keys(): + print("___________-", key, "-___________") + for b in batch[key]: + if key == 'attention_mask': + print(b.sum()) + else: + print(b.shape) + + # Predict + with torch.no_grad(): + output_logits = process_in_batches_and_combine(model, batch, config['inference_args']['batch_size']) + predictions = output_logits[:,:,0] #includes the prediction for the added token + # subselect the predictions using the attention mask + + output_filename = Path(config['inference_args']['prediction_output_dir'].format(output_name, "seq", 'all' if not split_detection else split_detection)) + output_filename.parent.mkdir(parents=True, exist_ok=True) + + with open(output_filename.with_suffix('.txt'), 'w') as f: + print("Saving predictions to {}.".format(output_filename)) + for prediction, mask, name, sequence in zip(predictions, batch['attention_mask'], names, sequences): + prediction = prediction[mask.bool()] + if len(prediction) != len(sequence)+1: + print("Prediction length {} is not equal to sequence length + 1 {}".format(len(prediction), len(sequence)+1)) + + assert len(prediction) == len(sequence)+1, "Prediction length {} is not equal to sequence length + 1 {}".format(len(prediction), len(sequence)+1) + if '.' in name: + name = name.replace('.', '_') + f.write('>' + name + '\n') + f.write(', '.join([str(p) for p in prediction.tolist()[:-1]]) + '\n') + + output_files = [str(output_filename.with_suffix('.txt'))] + output_message = "Success" + + if suffix == ".pdb" or suffix == ".pdb_list": + for name, pdb_file, prediction in zip(names, pdb_files, predictions): + chain_id = name.split('.')[1] + _prediction = prediction[:-1].reshape(1,-1) + _outname = output_filename.with_name(output_filename.stem + '_{}.pdb'.format(name.replace('.', '_'))) + print("Saving prediction to {}.".format(_outname)) + modify_bfactor_biotite(pdb_file, chain_id, _outname, _prediction) #writing the prediction without the last token + output_files.append(str(_outname)) + + if output_fasta: + _outname = output_filename.with_name(output_filename.stem + '_fasta.fasta') + with open(_outname, 'w') as f: + print("Saving fasta to {}.".format(_outname)) + for name, sequence in zip(names, sequences): + f.write('>' + name + '\n') + f.write(sequence + '\n') + output_files.append(str(_outname)) + + return output_files, output_message + +def flex_3d(input_file, output_name, output_fasta, splits, split_detection, output_enm): + if not input_file: + return None, "Provide a file or a input sequence" + + if len(input_file) == 1: + input_file = input_file[0] + filename, suffix = os.path.splitext(input_file) + else: + suffix = ".pdb_list" + + if not output_name: + default_name = 'untitled_{}'.format(datetime.now().strftime('%Y%m%d_%H%M%S')) + output_name = default_name + warnings.warn("Output name is not provided, using default name: {}".format(default_name)) + + sequences = [] + names = [] + backbones = [] + pdb_files = [] + flucts_list = [] + + if splits: + splits = json.load(splits) + if 'val' in splits.keys() and split_detection == 'validation': + split_detection = 'val' + elif 'validation' in splits.keys() and split_detection == 'val': + split_detection = 'validation' + + datapoint_for_eval = splits[split_detection] + else: + datapoint_for_eval = 'all' + + if suffix == ".pdb": + backbones, sequences, names = process_pdb_file(input_file, backbones, sequences, names) + pdb_files.append(input_file) + + elif suffix == ".jsonl": + for line in open(input_file, 'r'): + _dict = json.loads(line) + + if 'fluctuations' in _dict.keys(): + print("fluctuations are precomputed, using them") + dot_separated_name = get_dot_separated_name(key='pdb_name', _dict=_dict) + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + + names.append(_dict['pdb_name']) + backbones.append(None) + sequences.append(_dict['sequence']) + + flucts_list.append(_dict['fluctuations']+[0.0]) #padding for end cls token + continue + + dot_separated_name = get_dot_separated_name(key='name', _dict=_dict) + + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + backbones.append(_dict['coords']) + sequences.append(_dict['seq']) + names.append(dot_separated_name) + + elif suffix == ".pdb_list": + for i in input_file: + backbones, sequences, names = process_pdb_file(i, backbones, sequences, names) + pdb_files.append(i) + + env_config = yaml.load(open('configs/env_config.yaml', 'r'), Loader=yaml.FullLoader) + # Set folder for huggingface cache + os.environ['HF_HOME'] = env_config['huggingface']['HF_HOME'] + # Set gpu device + os.environ["CUDA_VISIBLE_DEVICES"]= env_config['gpus']['cuda_visible_device'] + + config = yaml.load(open('configs/train_config.yaml', 'r'), Loader=yaml.FullLoader) + class_config=ClassConfig(config) + class_config.adaptor_architecture = 'conv' + model, tokenizer = PT5_classification_model(half_precision=config['mixed_precision'], class_config=class_config) + + model.to(config['inference_args']['device']) + print("Loading 3D model from {}".format(config['inference_args']['3d_model_path'])) + state_dict = torch.load(config['inference_args']['3d_model_path'], map_location=config['inference_args']['device']) + model.load_state_dict(state_dict, strict=False) + model.eval() + + data_to_collate = [] + for idx, (backbone, sequence) in enumerate(zip(backbones, sequences)): + + if backbone is not None: + _dict = {'coords': backbone, 'seq': sequence} + flucts, _ = get_fluctuation_for_json_dict(_dict, enm_type = config['inference_args']['enm_type']) + flucts = flucts.tolist() + flucts.append(0.0) #To match the special token for the sequence + flucts = torch.tensor(flucts).to(config['inference_args']['device']) + else: + flucts = flucts_list[idx] + + #Ensure that the missing residues in the sequence are not represented as '-' but as 'X' + sequence = sequence.replace('-', 'X') #due to the tokenizer vocabulary + + tokenizer_out = tokenizer(' '.join(sequence), add_special_tokens=True, return_tensors='pt') + tokenized_seq, attention_mask = tokenizer_out['input_ids'].to(config['inference_args']['device']), tokenizer_out['attention_mask'].to(config['inference_args']['device']) + + data_to_collate.append({'input_ids': tokenized_seq[0,:], 'attention_mask': attention_mask[0,:], 'enm_vals': flucts}) + + # Use the data collator to process the input + data_collator = DataCollatorForTokenRegression(tokenizer) + + batch = data_collator(data_to_collate) # Wrap in list since collator expects batch + batch.to(model.device) + for key in batch.keys(): + print("___________-", key, "-___________") + for b in batch[key]: + if key == 'attention_mask': + print(b.sum()) + else: + print(b.shape) + + # Predict + with torch.no_grad(): + output_logits = process_in_batches_and_combine(model, batch, config['inference_args']['batch_size']) + predictions = output_logits[:,:,0] #includes the prediction for the added token + # subselect the predictions using the attention mask + + output_filename = Path(config['inference_args']['prediction_output_dir'].format(output_name, "3D", 'all' if not split_detection else split_detection)) + output_filename.parent.mkdir(parents=True, exist_ok=True) + + #Write the predictions to files + with open(output_filename.with_suffix('.txt'), 'w') as f: + print("Saving predictions to {}.".format(output_filename)) + for prediction, mask, name, sequence in zip(predictions, batch['attention_mask'], names, sequences): + prediction = prediction[mask.bool()] + if len(prediction) != len(sequence)+1: + print("Prediction length {} is not equal to sequence length + 1 {}".format(len(prediction), len(sequence)+1)) + + assert len(prediction) == len(sequence)+1, "Prediction length {} is not equal to sequence length + 1 {}".format(len(prediction), len(sequence)+1) + if '.' in name: + name = name.replace('.', '_') + f.write('>' + name + '\n') + f.write(', '.join([str(p) for p in prediction.tolist()[:-1]]) + '\n') + + output_files = [str(output_filename.with_suffix('.txt'))] + output_message = "Success" + + if suffix == ".pdb" or suffix == ".pdb_list": + for name, pdb_file, prediction in zip(names, pdb_files, predictions): + chain_id = name.split('.')[1] + _prediction = prediction[:-1].reshape(1,-1) + _outname = output_filename.with_name(output_filename.stem + '_{}.pdb'.format(name.replace('.', '_'))) + print("Saving prediction to {}.".format(_outname)) + modify_bfactor_biotite(pdb_file, chain_id, _outname, _prediction) #writing the prediction without the last token + output_files.append(str(_outname)) + + if output_enm: + output_files = [] + _outname = output_filename.with_name(output_filename.stem + '_enm.txt') + with open(_outname, 'w') as f: + print("Saving ENM predictions to {}.".format(_outname)) + for enm_prediction, name in zip(batch['enm_vals'], names): + f.write('>' + name + '\n') + f.write(', '.join([str(p) for p in enm_prediction.tolist()[:-1]]) + '\n') + output_files.append(str(_outname)) + + if suffix == ".pdb" or suffix == ".pdb_list": + for name, pdb_file, enm_vals_single in zip(names, pdb_files, batch['enm_vals']): + _outname = output_filename.with_name(output_filename.stem + '_{}.pdb'.format(name.replace('.', '_'))) + print("Saving ENM prediction to {}.".format(_outname)) + chain_id = name.split('.')[1] + _enm_vals = enm_vals_single[:-1].reshape(1,-1) + modify_bfactor_biotite(pdb_file, chain_id, _outname, _enm_vals) #writing the prediction without the last token + output_files.append(str(_outname)) + + if output_fasta: + _outname = output_filename.with_name(output_filename.stem + '_fasta.fasta') + with open(_outname, 'w') as f: + print("Saving fasta to {}.".format(_outname)) + for name, sequence in zip(names, sequences): + f.write('>' + name + '\n') + f.write(sequence + '\n') + output_files.append(str(_outname)) + + return output_files, output_message + +def say_hello(s): + return "Hello" + +def rescale_bfactors(pdb_file, out_file=None): + """ + Rescales all B-factors in a PDB file to the [0, 100] range. + If out_file is None, overwrite the input file. + """ + parser = PDBParser(QUIET=True) + structure = parser.get_structure("prot", pdb_file) + + # Collect all bfactors + bfactors = [atom.bfactor for atom in structure.get_atoms()] + if not bfactors: + return pdb_file # nothing to do + + min_b = min(bfactors) + max_b = max(bfactors) + + # Avoid division by zero if all bfactors are identical + def scale(b): + if max_b == min_b: + return 50.0 # arbitrary mid value + return (b - min_b) / (max_b - min_b) * 100 + + # Rescale all atoms + for atom in structure.get_atoms(): + atom.set_bfactor(scale(atom.bfactor)) + + # Save back + io = PDBIO() + io.set_structure(structure) + if out_file is None: + out_file = pdb_file + io.save(out_file) + return out_file + +def handle_seq_prediction(input_seq, input_file, output_name, output_fasta, splits_file_path, split_detection): + main_files, message = flex_seq(input_seq, input_file, output_name, output_fasta, splits_file_path, split_detection) + + pdb_files_for_viz = [f for f in main_files if f.endswith(('.pdb'))] + + return main_files, message, pdb_files_for_viz + + +def handle_3d_prediction(input_file, output_name, output_fasta, splits_file_path, split_detection, output_enm): + main_files, message = flex_3d(input_file, output_name, output_fasta, splits_file_path, split_detection, output_enm) + + pdb_files_for_viz = [f for f in main_files if f.endswith(('.pdb'))] + + return main_files, message, pdb_files_for_viz + +with gr.Blocks() as prediction: + gr.Markdown("# Flexpert") + with gr.Tab("Flexpert-Seq"): + with gr.Row(): + input_seq = gr.Textbox( + label="Paste Protein Sequences (FASTA format)", + placeholder="ProteinName1:AGFASRGT...\nProteinName2:QWERTY...", + lines=10, + scale=2 + ) + input_file = gr.File(label="Select (a) file/s containing one or more protein sequences", file_count = "multiple") + output_name = gr.Textbox(label="Output Name") + output_fasta = gr.Checkbox(label="Output FASTA") + predict_seq = gr.Button("Predict") + with gr.Tab("Flexpert-3D"): + input_file_3d = gr.File(label="Select (a) 3D structure file(s) (.pdb (one or multiple), jsonl)", file_count = "multiple") + output_name_3d = gr.Textbox(label="Output Name") + output_enm = gr.Checkbox(label="Output ENM") + output_fasta_3d = gr.Checkbox(label="Output FASTA") + + predict_3d = gr.Button("Predict") + + with gr.Accordion("Additional settings", open=False): + splits_file_path = gr.File(label="Select a splits file") + split_detection = gr.Dropdown( + ["train", "val", "test"], label="Split", info="Select which split you want" + ) + + output_files = gr.File(file_count="multiple", type = "filepath") + output_text = gr.Textbox(label = "Output message", placeholder="The output message statement will be displayed here") + + with gr.Accordion("Visualised structures", open=False): + + reps = [ + { + "model": 0, + "chain": "", + "resname": "", + "style": "cartoon", # or "stick", "sphere", "surface" + "color": "alphafold", # This is the key - use alphafold color scheme + "around": 0, + "byres": False, + "opacity": 1.0, + } + ] + + molecule_output = Molecule3D(label="Protein Structure", height=500, file_count = "multiple", reps = reps, confidenceLabel="Flexibility") + + clear_button = gr.ClearButton([input_seq, input_file, input_file_3d, output_name, output_name_3d, output_files, output_text, molecule_output]) + + # Connect the buttons to their respective functions. + predict_seq.click(handle_seq_prediction, inputs=[input_seq, input_file, output_name, output_fasta, splits_file_path, split_detection], outputs=[output_files, output_text, molecule_output]) + predict_3d.click(handle_3d_prediction, inputs=[input_file_3d, output_name_3d, output_fasta_3d, splits_file_path, split_detection, output_enm], outputs=[output_files, output_text, molecule_output]) + +# Create a separate Gradio Interface for the design tab. +design = gr.Interface( + fn=say_hello, # Use the say_hello function instead of flex_3d + inputs=gr.Textbox(label="Enter your nickname"), + outputs=gr.Label(label="What?"), + title="Flexpert-Design", + allow_flagging="never" +) + +# Combine the prediction and design interfaces into a TabbedInterface. +demo = gr.TabbedInterface([prediction, design], ["Flexibility Prediction", "Flexibility Design"]) + +# Launch the interface +demo.launch(server_name="0.0.0.0", server_port=7861, show_error=True) \ No newline at end of file diff --git a/configs/data_config.yaml b/configs/data_config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cd2c6b97746513fc8b0c8452a0535b7856c2dcb8 --- /dev/null +++ b/configs/data_config.yaml @@ -0,0 +1,11 @@ +pdb_dir: "data/PDBs" +preprocessed_dir: "data/custom_dataset" +backbones_dataset_path: "data/custom_dataset/chain_set.jsonl" #or provide a path to a csv file with the format: pdb_name, pdb_path +out_enm_dataset_path: "data/custom_dataset/{}_dataset.jsonl" #the {enm} part will be replaced by ANM or GNM +fasta_dataset_path: "data/custom_dataset/fasta_dataset.fasta" +pdb_codes_path: "data/atlas/2022_06_13_ATLAS_pdb.txt" +atlas_out_dir: "data/atlas/analyses" +atlas_labels_path: "data/custom_dataset/rmsf_atlas_data_prottransready.txt" +precomputed_flexibility_profiles_dir: "data/atlas/precomputed_flexibility_profiles" +flexpert_3d_predictions_path: "data/atlas/precomputed_flexibility_profiles/atlas_test_3D_predictions.txt" +flexpert_seq_predictions_path: "data/atlas/precomputed_flexibility_profiles/atlas_test_SEQ_predictions.txt" \ No newline at end of file diff --git a/configs/env_config.yaml b/configs/env_config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6635d31885eac97bb753861ff717d54267de29d9 --- /dev/null +++ b/configs/env_config.yaml @@ -0,0 +1,6 @@ +huggingface: + HF_HOME: /home/richtj28/huggingface_cache" +wandb: + project: 'Flexpert-nD-Karolina' +gpus: + cuda_visible_device: '0' \ No newline at end of file diff --git a/configs/lora_config.yaml b/configs/lora_config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4bd91cfa6fa0c53d7814fcfab04818cafc2ae2cd --- /dev/null +++ b/configs/lora_config.yaml @@ -0,0 +1,9 @@ +lora_rank: 4 +lora_init_scale: 0.01 +lora_modules: ".*SelfAttention|.*EncDecAttention" +lora_layers: "q|k|v|o" +trainable_param_names: ".*layer_norm.*|.*lora_[ab].*" +lora_scaling_rank: 1 + +# lora_modules and lora_layers are speicified with regular expressions +# see https://www.w3schools.com/python/python_regex.asp for reference \ No newline at end of file diff --git a/configs/train_config.yaml b/configs/train_config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c04ed0645d96b2ea241887889e70cdabe15a6fc5 --- /dev/null +++ b/configs/train_config.yaml @@ -0,0 +1,42 @@ +data_path: 'data/rmsf_atlas_data_prottransready.txt' +fasta_path: 'data/atlas_sequences.fasta' +enm_path: 'data/atlas_minimized_fluctuations_ANM.jsonl' +splits_path: 'data/atlas_splits.json' +batch_size: 4 +epochs: 100 +add_pearson_loss: False +add_sse_loss: False +enm_embed_dim: 128 +enm_att_heads: 8 +num_layers: 3 +kernel_size: 5 +mixed_precision: False +gradient_accumulation_steps: 1 +seed: 42 +adaptor_architecture: null +run_name: null +num_labels: 1 # for regression +dropout_rate: 0.2 + +#huggingface trainer arguments +training_args: + output_dir: './results/results_{run_name}_{timestamp}' + run_name: null # This will be set programmatically + evaluation_strategy: 'steps' + save_strategy: 'steps' + load_best_model_at_end: True # Load the best model (based on metric) at the end of training + metric_for_best_model: 'spearmanr' # The metric to use to compare models + greater_is_better: True # Defines whether higher values of the above metric are better + learning_rate: 0.0003 + save_safetensors: False + save_steps: 256 + save_total_limit: 3 + logging_strategy: 'epoch' + +inference_args: + device: 'cuda:0' + seq_model_path: ./models/weights/flexpert_seq_weights.bin + 3d_model_path: ./models/weights/flexpert_3d_weights.bin + enm_type: 'ANM' + batch_size: 4 + prediction_output_dir: 'prediction_results/{}-{}-{}-predictions.txt' \ No newline at end of file diff --git a/data/PDBs/1a62_A.pdb b/data/PDBs/1a62_A.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b4a4f5980bfdaea74aee327e7303cf0496969994 --- /dev/null +++ b/data/PDBs/1a62_A.pdb @@ -0,0 +1,2072 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 63.111 73.702 53.975 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N MET 1 36.180 28.170 34.540 1.00 0.00 N +ATOM 2 H1 MET 1 35.688 28.632 35.332 1.00 0.00 H +ATOM 3 H2 MET 1 36.570 27.272 34.890 1.00 0.00 H +ATOM 4 H3 MET 1 36.988 28.808 34.390 1.00 0.00 H +ATOM 5 CA MET 1 35.450 28.020 33.280 1.00 0.00 C +ATOM 6 HA MET 1 36.140 27.380 32.750 1.00 0.00 H +ATOM 7 CB MET 1 34.120 27.290 33.310 1.00 0.00 C +ATOM 8 HB1 MET 1 33.580 27.430 34.270 1.00 0.00 H +ATOM 9 HB2 MET 1 33.460 27.650 32.490 1.00 0.00 H +ATOM 10 CG MET 1 34.110 25.730 33.250 1.00 0.00 C +ATOM 11 HG1 MET 1 35.044 25.522 32.684 1.00 0.00 H +ATOM 12 HG2 MET 1 34.290 25.248 34.234 1.00 0.00 H +ATOM 13 SD MET 1 32.640 25.020 32.560 1.00 0.00 S +ATOM 14 CE MET 1 31.510 25.650 33.840 1.00 0.00 C +ATOM 15 HE1 MET 1 31.520 26.760 33.790 1.00 0.00 H +ATOM 16 HE2 MET 1 30.488 25.300 33.580 1.00 0.00 H +ATOM 17 HE3 MET 1 31.710 25.328 34.884 1.00 0.00 H +ATOM 18 C MET 1 35.310 29.260 32.440 1.00 0.00 C +ATOM 19 O MET 1 35.180 30.390 32.950 1.00 0.00 O +ATOM 20 N ASN 2 35.340 29.210 31.090 1.00 0.00 N +ATOM 21 HN ASN 2 35.390 28.318 30.648 1.00 0.00 H +ATOM 22 CA ASN 2 35.370 30.370 30.260 1.00 0.00 C +ATOM 23 HA ASN 2 34.642 31.038 30.698 1.00 0.00 H +ATOM 24 CB ASN 2 36.830 30.990 30.140 1.00 0.00 C +ATOM 25 HB1 ASN 2 36.810 32.040 29.780 1.00 0.00 H +ATOM 26 HB2 ASN 2 37.280 30.890 31.150 1.00 0.00 H +ATOM 27 CG ASN 2 37.800 30.100 29.310 1.00 0.00 C +ATOM 28 OD1 ASN 2 37.490 29.830 28.130 1.00 0.00 O +ATOM 29 ND2 ASN 2 38.660 29.410 30.020 1.00 0.00 N +ATOM 30 1HD2 ASN 2 38.760 29.520 31.010 1.00 0.00 H +ATOM 31 2HD2 ASN 2 39.110 28.640 29.570 1.00 0.00 H +ATOM 32 C ASN 2 34.640 30.090 28.980 1.00 0.00 C +ATOM 33 O ASN 2 34.640 28.910 28.540 1.00 0.00 O +ATOM 34 N LEU 3 34.050 31.070 28.300 1.00 0.00 N +ATOM 35 HN LEU 3 34.020 32.008 28.640 1.00 0.00 H +ATOM 36 CA LEU 3 33.250 30.780 27.100 1.00 0.00 C +ATOM 37 HA LEU 3 32.522 30.012 27.310 1.00 0.00 H +ATOM 38 CB LEU 3 32.610 32.060 26.700 1.00 0.00 C +ATOM 39 HB1 LEU 3 31.962 32.568 27.448 1.00 0.00 H +ATOM 40 HB2 LEU 3 33.420 32.790 26.490 1.00 0.00 H +ATOM 41 CG LEU 3 31.770 32.070 25.390 1.00 0.00 C +ATOM 42 HG LEU 3 32.416 31.682 24.574 1.00 0.00 H +ATOM 43 CD1 LEU 3 30.530 31.230 25.560 1.00 0.00 C +ATOM 44 1HD1 LEU 3 30.730 30.204 25.938 1.00 0.00 H +ATOM 45 2HD1 LEU 3 29.882 31.778 26.278 1.00 0.00 H +ATOM 46 3HD1 LEU 3 29.902 31.180 24.644 1.00 0.00 H +ATOM 47 CD2 LEU 3 31.320 33.500 24.970 1.00 0.00 C +ATOM 48 1HD2 LEU 3 30.650 33.990 25.710 1.00 0.00 H +ATOM 49 2HD2 LEU 3 32.308 33.998 24.870 1.00 0.00 H +ATOM 50 3HD2 LEU 3 30.758 33.610 24.018 1.00 0.00 H +ATOM 51 C LEU 3 34.120 30.240 25.920 1.00 0.00 C +ATOM 52 O LEU 3 33.620 29.320 25.260 1.00 0.00 O +ATOM 53 N THR 4 35.380 30.680 25.670 1.00 0.00 N +ATOM 54 HN THR 4 35.900 31.240 26.310 1.00 0.00 H +ATOM 55 CA THR 4 36.290 30.310 24.520 1.00 0.00 C +ATOM 56 HA THR 4 35.656 30.200 23.654 1.00 0.00 H +ATOM 57 CB THR 4 37.500 31.140 24.170 1.00 0.00 C +ATOM 58 HB THR 4 38.440 30.560 24.050 1.00 0.00 H +ATOM 59 OG1 THR 4 37.780 32.110 25.200 1.00 0.00 O +ATOM 60 HG1 THR 4 37.550 32.978 24.860 1.00 0.00 H +ATOM 61 CG2 THR 4 37.180 31.920 22.870 1.00 0.00 C +ATOM 62 1HG2 THR 4 37.190 31.218 22.008 1.00 0.00 H +ATOM 63 2HG2 THR 4 36.260 32.530 23.000 1.00 0.00 H +ATOM 64 3HG2 THR 4 37.986 32.666 22.700 1.00 0.00 H +ATOM 65 C THR 4 36.710 28.840 24.580 1.00 0.00 C +ATOM 66 O THR 4 36.730 28.120 23.630 1.00 0.00 O +ATOM 67 N GLU 5 36.990 28.350 25.780 1.00 0.00 N +ATOM 68 HN GLU 5 37.020 29.060 26.480 1.00 0.00 H +ATOM 69 CA GLU 5 37.360 26.960 26.150 1.00 0.00 C +ATOM 70 HA GLU 5 38.234 26.742 25.554 1.00 0.00 H +ATOM 71 CB GLU 5 37.830 26.910 27.590 1.00 0.00 C +ATOM 72 HB1 GLU 5 38.664 27.624 27.760 1.00 0.00 H +ATOM 73 HB2 GLU 5 36.994 27.268 28.228 1.00 0.00 H +ATOM 74 CG GLU 5 38.190 25.470 28.160 1.00 0.00 C +ATOM 75 HG1 GLU 5 37.312 24.802 28.020 1.00 0.00 H +ATOM 76 HG2 GLU 5 38.910 25.040 27.430 1.00 0.00 H +ATOM 77 CD GLU 5 38.780 25.550 29.500 1.00 0.00 C +ATOM 78 OE1 GLU 5 39.970 25.860 29.610 1.00 0.00 O +ATOM 79 OE2 GLU 5 38.100 25.050 30.530 1.00 0.00 O +ATOM 80 C GLU 5 36.160 25.990 25.800 1.00 0.00 C +ATOM 81 O GLU 5 36.220 24.900 25.200 1.00 0.00 O +ATOM 82 N LEU 6 34.950 26.450 26.200 1.00 0.00 N +ATOM 83 HN LEU 6 34.860 27.324 26.672 1.00 0.00 H +ATOM 84 CA LEU 6 33.720 25.710 26.000 1.00 0.00 C +ATOM 85 HA LEU 6 33.800 24.642 26.140 1.00 0.00 H +ATOM 86 CB LEU 6 32.590 26.360 26.880 1.00 0.00 C +ATOM 87 HB1 LEU 6 32.690 27.464 26.800 1.00 0.00 H +ATOM 88 HB2 LEU 6 31.618 26.080 26.420 1.00 0.00 H +ATOM 89 CG LEU 6 32.570 25.940 28.310 1.00 0.00 C +ATOM 90 HG LEU 6 33.280 26.530 28.930 1.00 0.00 H +ATOM 91 CD1 LEU 6 31.220 26.160 28.970 1.00 0.00 C +ATOM 92 1HD1 LEU 6 30.640 25.250 28.710 1.00 0.00 H +ATOM 93 2HD1 LEU 6 31.240 26.130 30.080 1.00 0.00 H +ATOM 94 3HD1 LEU 6 30.718 27.062 28.560 1.00 0.00 H +ATOM 95 CD2 LEU 6 33.060 24.540 28.600 1.00 0.00 C +ATOM 96 1HD2 LEU 6 33.010 24.370 29.698 1.00 0.00 H +ATOM 97 2HD2 LEU 6 32.388 23.818 28.088 1.00 0.00 H +ATOM 98 3HD2 LEU 6 34.108 24.290 28.330 1.00 0.00 H +ATOM 99 C LEU 6 33.280 25.670 24.490 1.00 0.00 C +ATOM 100 O LEU 6 32.770 24.710 23.960 1.00 0.00 O +ATOM 101 N LYS 7 33.650 26.740 23.790 1.00 0.00 N +ATOM 102 HN LYS 7 33.880 27.590 24.260 1.00 0.00 H +ATOM 103 CA LYS 7 33.670 26.760 22.380 1.00 0.00 C +ATOM 104 HA LYS 7 32.690 26.400 22.100 1.00 0.00 H +ATOM 105 CB LYS 7 33.860 28.160 21.760 1.00 0.00 C +ATOM 106 HB1 LYS 7 34.890 28.544 21.922 1.00 0.00 H +ATOM 107 HB2 LYS 7 33.720 27.860 20.700 1.00 0.00 H +ATOM 108 CG LYS 7 32.910 29.300 21.980 1.00 0.00 C +ATOM 109 HG1 LYS 7 31.884 28.872 22.020 1.00 0.00 H +ATOM 110 HG2 LYS 7 33.040 29.712 23.004 1.00 0.00 H +ATOM 111 CD LYS 7 33.180 30.490 21.020 1.00 0.00 C +ATOM 112 HD1 LYS 7 34.236 30.560 20.682 1.00 0.00 H +ATOM 113 HD2 LYS 7 32.458 30.430 20.178 1.00 0.00 H +ATOM 114 CE LYS 7 32.930 31.770 21.790 1.00 0.00 C +ATOM 115 HE1 LYS 7 32.034 31.740 22.444 1.00 0.00 H +ATOM 116 HE2 LYS 7 33.790 32.120 22.400 1.00 0.00 H +ATOM 117 NZ LYS 7 32.590 32.860 20.760 1.00 0.00 N +ATOM 118 HZ1 LYS 7 31.594 32.640 20.550 1.00 0.00 H +ATOM 119 HZ2 LYS 7 32.670 33.802 21.192 1.00 0.00 H +ATOM 120 HZ3 LYS 7 33.102 32.660 19.878 1.00 0.00 H +ATOM 121 C LYS 7 34.630 25.690 21.740 1.00 0.00 C +ATOM 122 O LYS 7 34.240 25.110 20.700 1.00 0.00 O +ATOM 123 N ASN 8 35.820 25.360 22.320 1.00 0.00 N +ATOM 124 HN ASN 8 36.050 25.950 23.090 1.00 0.00 H +ATOM 125 CA ASN 8 36.710 24.350 21.830 1.00 0.00 C +ATOM 126 HA ASN 8 36.800 24.460 20.760 1.00 0.00 H +ATOM 127 CB ASN 8 38.100 24.650 22.320 1.00 0.00 C +ATOM 128 HB1 ASN 8 38.180 24.640 23.428 1.00 0.00 H +ATOM 129 HB2 ASN 8 38.708 23.834 21.872 1.00 0.00 H +ATOM 130 CG ASN 8 38.700 25.910 21.720 1.00 0.00 C +ATOM 131 OD1 ASN 8 38.480 26.370 20.580 1.00 0.00 O +ATOM 132 ND2 ASN 8 39.600 26.530 22.490 1.00 0.00 N +ATOM 133 1HD2 ASN 8 39.930 26.060 23.310 1.00 0.00 H +ATOM 134 2HD2 ASN 8 39.982 27.406 22.198 1.00 0.00 H +ATOM 135 C ASN 8 36.240 22.940 22.110 1.00 0.00 C +ATOM 136 O ASN 8 36.370 22.050 21.250 1.00 0.00 O +ATOM 137 N THR 9 35.650 22.640 23.300 1.00 0.00 N +ATOM 138 HN THR 9 35.540 23.360 23.980 1.00 0.00 H +ATOM 139 CA THR 9 35.250 21.280 23.710 1.00 0.00 C +ATOM 140 HA THR 9 36.130 20.660 23.610 1.00 0.00 H +ATOM 141 CB THR 9 34.790 21.280 25.190 1.00 0.00 C +ATOM 142 HB THR 9 34.392 20.276 25.448 1.00 0.00 H +ATOM 143 OG1 THR 9 33.850 22.300 25.440 1.00 0.00 O +ATOM 144 HG1 THR 9 33.136 22.410 24.808 1.00 0.00 H +ATOM 145 CG2 THR 9 36.000 21.510 25.970 1.00 0.00 C +ATOM 146 1HG2 THR 9 36.728 20.672 25.960 1.00 0.00 H +ATOM 147 2HG2 THR 9 36.526 22.464 25.752 1.00 0.00 H +ATOM 148 3HG2 THR 9 35.770 21.630 27.050 1.00 0.00 H +ATOM 149 C THR 9 34.140 20.620 22.880 1.00 0.00 C +ATOM 150 O THR 9 33.240 21.350 22.460 1.00 0.00 O +ATOM 151 N PRO 10 34.140 19.290 22.620 1.00 0.00 N +ATOM 152 CD PRO 10 35.300 18.430 22.920 1.00 0.00 C +ATOM 153 HD1 PRO 10 35.380 18.170 23.998 1.00 0.00 H +ATOM 154 HD2 PRO 10 36.266 18.868 22.592 1.00 0.00 H +ATOM 155 CA PRO 10 33.030 18.520 22.070 1.00 0.00 C +ATOM 156 HA PRO 10 32.960 18.940 21.078 1.00 0.00 H +ATOM 157 CB PRO 10 33.480 17.040 22.040 1.00 0.00 C +ATOM 158 HB1 PRO 10 33.140 16.520 22.960 1.00 0.00 H +ATOM 159 HB2 PRO 10 33.190 16.528 21.098 1.00 0.00 H +ATOM 160 CG PRO 10 35.050 17.150 22.150 1.00 0.00 C +ATOM 161 HG1 PRO 10 35.538 16.244 22.568 1.00 0.00 H +ATOM 162 HG2 PRO 10 35.320 17.290 21.082 1.00 0.00 H +ATOM 163 C PRO 10 31.730 18.730 22.650 1.00 0.00 C +ATOM 164 O PRO 10 31.560 18.970 23.790 1.00 0.00 O +ATOM 165 N VAL 11 30.620 18.510 21.910 1.00 0.00 N +ATOM 166 HN VAL 11 30.750 18.120 21.002 1.00 0.00 H +ATOM 167 CA VAL 11 29.270 18.420 22.480 1.00 0.00 C +ATOM 168 HA VAL 11 28.842 19.324 22.888 1.00 0.00 H +ATOM 169 CB VAL 11 28.390 18.210 21.260 1.00 0.00 C +ATOM 170 HB VAL 11 28.740 17.278 20.768 1.00 0.00 H +ATOM 171 CG1 VAL 11 26.910 17.940 21.680 1.00 0.00 C +ATOM 172 1HG1 VAL 11 26.490 18.600 22.470 1.00 0.00 H +ATOM 173 2HG1 VAL 11 26.308 18.000 20.748 1.00 0.00 H +ATOM 174 3HG1 VAL 11 26.710 16.902 22.020 1.00 0.00 H +ATOM 175 CG2 VAL 11 28.420 19.530 20.290 1.00 0.00 C +ATOM 176 1HG2 VAL 11 28.180 20.464 20.842 1.00 0.00 H +ATOM 177 2HG2 VAL 11 29.436 19.570 19.842 1.00 0.00 H +ATOM 178 3HG2 VAL 11 27.676 19.390 19.476 1.00 0.00 H +ATOM 179 C VAL 11 29.060 17.280 23.490 1.00 0.00 C +ATOM 180 O VAL 11 28.320 17.410 24.490 1.00 0.00 O +ATOM 181 N SER 12 29.730 16.170 23.240 1.00 0.00 N +ATOM 182 HN SER 12 30.280 16.040 22.420 1.00 0.00 H +ATOM 183 CA SER 12 29.720 15.000 24.190 1.00 0.00 C +ATOM 184 HA SER 12 28.696 14.692 24.340 1.00 0.00 H +ATOM 185 CB SER 12 30.370 13.860 23.490 1.00 0.00 C +ATOM 186 HB1 SER 12 30.610 13.000 24.150 1.00 0.00 H +ATOM 187 HB2 SER 12 29.692 13.450 22.712 1.00 0.00 H +ATOM 188 OG SER 12 31.650 14.200 22.910 1.00 0.00 O +ATOM 189 HG1 SER 12 32.198 14.060 23.686 1.00 0.00 H +ATOM 190 C SER 12 30.340 15.360 25.520 1.00 0.00 C +ATOM 191 O SER 12 29.700 15.240 26.550 1.00 0.00 O +ATOM 192 N GLU 13 31.480 16.030 25.530 1.00 0.00 N +ATOM 193 HN GLU 13 31.962 15.990 24.658 1.00 0.00 H +ATOM 194 CA GLU 13 32.150 16.550 26.660 1.00 0.00 C +ATOM 195 HA GLU 13 32.240 15.732 27.358 1.00 0.00 H +ATOM 196 CB GLU 13 33.530 17.170 26.300 1.00 0.00 C +ATOM 197 HB1 GLU 13 33.410 17.742 25.356 1.00 0.00 H +ATOM 198 HB2 GLU 13 33.720 17.954 27.064 1.00 0.00 H +ATOM 199 CG GLU 13 34.660 16.130 26.250 1.00 0.00 C +ATOM 200 HG1 GLU 13 34.610 15.666 27.258 1.00 0.00 H +ATOM 201 HG2 GLU 13 34.540 15.338 25.480 1.00 0.00 H +ATOM 202 CD GLU 13 36.090 16.630 25.970 1.00 0.00 C +ATOM 203 OE1 GLU 13 36.490 17.680 26.510 1.00 0.00 O +ATOM 204 OE2 GLU 13 36.870 15.990 25.260 1.00 0.00 O +ATOM 205 C GLU 13 31.370 17.560 27.390 1.00 0.00 C +ATOM 206 O GLU 13 31.330 17.600 28.590 1.00 0.00 O +ATOM 207 N LEU 14 30.670 18.470 26.710 1.00 0.00 N +ATOM 208 HN LEU 14 30.900 18.500 25.740 1.00 0.00 H +ATOM 209 CA LEU 14 29.700 19.350 27.260 1.00 0.00 C +ATOM 210 HA LEU 14 30.092 19.832 28.144 1.00 0.00 H +ATOM 211 CB LEU 14 29.260 20.350 26.210 1.00 0.00 C +ATOM 212 HB1 LEU 14 29.080 19.710 25.320 1.00 0.00 H +ATOM 213 HB2 LEU 14 28.428 20.962 26.620 1.00 0.00 H +ATOM 214 CG LEU 14 30.280 21.400 25.670 1.00 0.00 C +ATOM 215 HG LEU 14 31.246 20.882 25.480 1.00 0.00 H +ATOM 216 CD1 LEU 14 29.720 22.210 24.450 1.00 0.00 C +ATOM 217 1HD1 LEU 14 28.720 22.600 24.740 1.00 0.00 H +ATOM 218 2HD1 LEU 14 30.358 23.086 24.202 1.00 0.00 H +ATOM 219 3HD1 LEU 14 29.630 21.572 23.544 1.00 0.00 H +ATOM 220 CD2 LEU 14 30.570 22.450 26.780 1.00 0.00 C +ATOM 221 1HD2 LEU 14 29.616 22.842 27.192 1.00 0.00 H +ATOM 222 2HD2 LEU 14 31.220 22.020 27.570 1.00 0.00 H +ATOM 223 3HD2 LEU 14 31.128 23.306 26.342 1.00 0.00 H +ATOM 224 C LEU 14 28.420 18.640 27.880 1.00 0.00 C +ATOM 225 O LEU 14 27.940 19.110 28.920 1.00 0.00 O +ATOM 226 N ILE 15 27.830 17.630 27.260 1.00 0.00 N +ATOM 227 HN ILE 15 28.048 17.402 26.314 1.00 0.00 H +ATOM 228 CA ILE 15 26.620 16.910 27.810 1.00 0.00 C +ATOM 229 HA ILE 15 25.856 17.624 28.082 1.00 0.00 H +ATOM 230 CB ILE 15 26.040 15.860 26.840 1.00 0.00 C +ATOM 231 HB ILE 15 26.858 15.222 26.442 1.00 0.00 H +ATOM 232 CG2 ILE 15 24.980 15.040 27.620 1.00 0.00 C +ATOM 233 1HG2 ILE 15 24.404 14.334 26.984 1.00 0.00 H +ATOM 234 2HG2 ILE 15 25.532 14.478 28.402 1.00 0.00 H +ATOM 235 3HG2 ILE 15 24.118 15.560 28.090 1.00 0.00 H +ATOM 236 CG1 ILE 15 25.420 16.590 25.570 1.00 0.00 C +ATOM 237 1HG1 ILE 15 24.552 17.220 25.860 1.00 0.00 H +ATOM 238 2HG1 ILE 15 26.100 17.382 25.190 1.00 0.00 H +ATOM 239 CD ILE 15 25.030 15.610 24.520 1.00 0.00 C +ATOM 240 HD1 ILE 15 24.440 16.090 23.710 1.00 0.00 H +ATOM 241 HD2 ILE 15 25.990 15.140 24.220 1.00 0.00 H +ATOM 242 HD3 ILE 15 24.450 14.742 24.900 1.00 0.00 H +ATOM 243 C ILE 15 26.960 16.290 29.170 1.00 0.00 C +ATOM 244 O ILE 15 26.130 16.370 30.090 1.00 0.00 O +ATOM 245 N THR 16 28.100 15.680 29.290 1.00 0.00 N +ATOM 246 HN THR 16 28.814 15.620 28.596 1.00 0.00 H +ATOM 247 CA THR 16 28.590 15.060 30.550 1.00 0.00 C +ATOM 248 HA THR 16 27.802 14.362 30.790 1.00 0.00 H +ATOM 249 CB THR 16 29.940 14.350 30.320 1.00 0.00 C +ATOM 250 HB THR 16 30.732 15.062 30.008 1.00 0.00 H +ATOM 251 OG1 THR 16 29.710 13.330 29.360 1.00 0.00 O +ATOM 252 HG1 THR 16 30.548 13.170 28.920 1.00 0.00 H +ATOM 253 CG2 THR 16 30.510 13.740 31.610 1.00 0.00 C +ATOM 254 1HG2 THR 16 29.782 13.082 32.130 1.00 0.00 H +ATOM 255 2HG2 THR 16 31.348 13.042 31.390 1.00 0.00 H +ATOM 256 3HG2 THR 16 30.812 14.506 32.356 1.00 0.00 H +ATOM 257 C THR 16 28.710 16.140 31.670 1.00 0.00 C +ATOM 258 O THR 16 28.190 15.990 32.750 1.00 0.00 O +ATOM 259 N LEU 17 29.400 17.250 31.290 1.00 0.00 N +ATOM 260 HN LEU 17 29.850 17.270 30.400 1.00 0.00 H +ATOM 261 CA LEU 17 29.660 18.360 32.210 1.00 0.00 C +ATOM 262 HA LEU 17 30.220 18.000 33.060 1.00 0.00 H +ATOM 263 CB LEU 17 30.590 19.450 31.640 1.00 0.00 C +ATOM 264 HB1 LEU 17 31.448 18.960 31.132 1.00 0.00 H +ATOM 265 HB2 LEU 17 30.070 19.920 30.778 1.00 0.00 H +ATOM 266 CG LEU 17 31.160 20.640 32.490 1.00 0.00 C +ATOM 267 HG LEU 17 31.588 20.272 33.446 1.00 0.00 H +ATOM 268 CD1 LEU 17 32.220 21.370 31.650 1.00 0.00 C +ATOM 269 1HD1 LEU 17 33.030 20.630 31.470 1.00 0.00 H +ATOM 270 2HD1 LEU 17 31.830 21.720 30.670 1.00 0.00 H +ATOM 271 3HD1 LEU 17 32.818 22.218 32.048 1.00 0.00 H +ATOM 272 CD2 LEU 17 30.120 21.720 32.850 1.00 0.00 C +ATOM 273 1HD2 LEU 17 29.462 21.460 33.708 1.00 0.00 H +ATOM 274 2HD2 LEU 17 30.768 22.576 33.138 1.00 0.00 H +ATOM 275 3HD2 LEU 17 29.548 21.960 31.928 1.00 0.00 H +ATOM 276 C LEU 17 28.340 19.050 32.690 1.00 0.00 C +ATOM 277 O LEU 17 28.100 19.370 33.840 1.00 0.00 O +ATOM 278 N GLY 18 27.400 19.250 31.720 1.00 0.00 N +ATOM 279 HN GLY 18 27.630 19.000 30.782 1.00 0.00 H +ATOM 280 CA GLY 18 26.070 19.750 32.000 1.00 0.00 C +ATOM 281 HA1 GLY 18 26.110 20.668 32.568 1.00 0.00 H +ATOM 282 HA2 GLY 18 25.470 19.860 31.110 1.00 0.00 H +ATOM 283 C GLY 18 25.220 18.810 32.860 1.00 0.00 C +ATOM 284 O GLY 18 24.530 19.250 33.780 1.00 0.00 O +ATOM 285 N GLU 19 25.280 17.480 32.530 1.00 0.00 N +ATOM 286 HN GLU 19 25.750 17.190 31.700 1.00 0.00 H +ATOM 287 CA GLU 19 24.580 16.440 33.260 1.00 0.00 C +ATOM 288 HA GLU 19 23.542 16.710 33.380 1.00 0.00 H +ATOM 289 CB GLU 19 24.790 15.080 32.650 1.00 0.00 C +ATOM 290 HB1 GLU 19 23.990 15.060 31.880 1.00 0.00 H +ATOM 291 HB2 GLU 19 25.798 14.890 32.222 1.00 0.00 H +ATOM 292 CG GLU 19 24.540 13.890 33.600 1.00 0.00 C +ATOM 293 HG1 GLU 19 25.492 13.840 34.170 1.00 0.00 H +ATOM 294 HG2 GLU 19 23.702 14.060 34.308 1.00 0.00 H +ATOM 295 CD GLU 19 24.250 12.600 32.840 1.00 0.00 C +ATOM 296 OE1 GLU 19 25.000 11.660 33.130 1.00 0.00 O +ATOM 297 OE2 GLU 19 23.250 12.510 32.070 1.00 0.00 O +ATOM 298 C GLU 19 25.050 16.430 34.690 1.00 0.00 C +ATOM 299 O GLU 19 24.200 16.350 35.540 1.00 0.00 O +ATOM 300 N ASN 20 26.410 16.470 35.000 1.00 0.00 N +ATOM 301 HN ASN 20 26.990 16.500 34.190 1.00 0.00 H +ATOM 302 CA ASN 20 27.020 16.550 36.310 1.00 0.00 C +ATOM 303 HA ASN 20 26.862 15.648 36.884 1.00 0.00 H +ATOM 304 CB ASN 20 28.530 16.670 36.030 1.00 0.00 C +ATOM 305 HB1 ASN 20 28.710 17.382 35.198 1.00 0.00 H +ATOM 306 HB2 ASN 20 29.040 16.970 36.970 1.00 0.00 H +ATOM 307 CG ASN 20 29.140 15.280 35.630 1.00 0.00 C +ATOM 308 OD1 ASN 20 28.380 14.340 35.690 1.00 0.00 O +ATOM 309 ND2 ASN 20 30.420 15.290 35.360 1.00 0.00 N +ATOM 310 1HD2 ASN 20 30.862 16.142 35.080 1.00 0.00 H +ATOM 311 2HD2 ASN 20 30.870 14.452 35.050 1.00 0.00 H +ATOM 312 C ASN 20 26.620 17.750 37.090 1.00 0.00 C +ATOM 313 O ASN 20 26.500 17.660 38.310 1.00 0.00 O +ATOM 314 N MET 21 26.480 18.920 36.510 1.00 0.00 N +ATOM 315 HN MET 21 26.750 18.890 35.550 1.00 0.00 H +ATOM 316 CA MET 21 26.010 20.210 36.980 1.00 0.00 C +ATOM 317 HA MET 21 26.452 20.452 37.934 1.00 0.00 H +ATOM 318 CB MET 21 26.370 21.270 35.920 1.00 0.00 C +ATOM 319 HB1 MET 21 27.482 21.260 35.940 1.00 0.00 H +ATOM 320 HB2 MET 21 25.990 20.970 34.920 1.00 0.00 H +ATOM 321 CG MET 21 26.030 22.780 36.080 1.00 0.00 C +ATOM 322 HG1 MET 21 25.008 22.930 35.670 1.00 0.00 H +ATOM 323 HG2 MET 21 25.890 23.060 37.146 1.00 0.00 H +ATOM 324 SD MET 21 27.140 23.940 35.220 1.00 0.00 S +ATOM 325 CE MET 21 28.770 23.640 36.030 1.00 0.00 C +ATOM 326 HE1 MET 21 28.950 22.544 36.070 1.00 0.00 H +ATOM 327 HE2 MET 21 29.702 24.102 35.640 1.00 0.00 H +ATOM 328 HE3 MET 21 28.740 23.930 37.102 1.00 0.00 H +ATOM 329 C MET 21 24.550 20.270 37.250 1.00 0.00 C +ATOM 330 O MET 21 24.050 21.090 38.050 1.00 0.00 O +ATOM 331 N GLY 22 23.710 19.330 36.670 1.00 0.00 N +ATOM 332 HN GLY 22 24.130 18.612 36.120 1.00 0.00 H +ATOM 333 CA GLY 22 22.320 19.210 37.130 1.00 0.00 C +ATOM 334 HA1 GLY 22 22.310 18.130 37.120 1.00 0.00 H +ATOM 335 HA2 GLY 22 22.100 19.710 38.062 1.00 0.00 H +ATOM 336 C GLY 22 21.390 19.700 36.120 1.00 0.00 C +ATOM 337 O GLY 22 20.200 19.970 36.410 1.00 0.00 O +ATOM 338 N LEU 23 21.900 19.830 34.940 1.00 0.00 N +ATOM 339 HN LEU 23 22.870 19.610 34.880 1.00 0.00 H +ATOM 340 CA LEU 23 21.070 20.120 33.770 1.00 0.00 C +ATOM 341 HA LEU 23 20.230 20.690 34.140 1.00 0.00 H +ATOM 342 CB LEU 23 21.850 20.960 32.750 1.00 0.00 C +ATOM 343 HB1 LEU 23 22.778 20.480 32.370 1.00 0.00 H +ATOM 344 HB2 LEU 23 21.246 21.332 31.896 1.00 0.00 H +ATOM 345 CG LEU 23 22.310 22.320 33.440 1.00 0.00 C +ATOM 346 HG LEU 23 22.958 22.150 34.326 1.00 0.00 H +ATOM 347 CD1 LEU 23 23.430 23.110 32.630 1.00 0.00 C +ATOM 348 1HD1 LEU 23 24.376 22.526 32.630 1.00 0.00 H +ATOM 349 2HD1 LEU 23 23.052 23.358 31.614 1.00 0.00 H +ATOM 350 3HD1 LEU 23 23.652 24.086 33.112 1.00 0.00 H +ATOM 351 CD2 LEU 23 21.140 23.250 33.650 1.00 0.00 C +ATOM 352 1HD2 LEU 23 20.440 22.720 34.330 1.00 0.00 H +ATOM 353 2HD2 LEU 23 21.390 24.158 34.238 1.00 0.00 H +ATOM 354 3HD2 LEU 23 20.752 23.518 32.644 1.00 0.00 H +ATOM 355 C LEU 23 20.500 18.890 33.080 1.00 0.00 C +ATOM 356 O LEU 23 21.140 17.870 33.090 1.00 0.00 O +ATOM 357 N GLU 24 19.260 18.870 32.480 1.00 0.00 N +ATOM 358 HN GLU 24 18.620 19.630 32.400 1.00 0.00 H +ATOM 359 CA GLU 24 18.820 17.750 31.680 1.00 0.00 C +ATOM 360 HA GLU 24 19.580 17.000 31.510 1.00 0.00 H +ATOM 361 CB GLU 24 17.360 17.180 32.080 1.00 0.00 C +ATOM 362 HB1 GLU 24 16.622 18.008 32.020 1.00 0.00 H +ATOM 363 HB2 GLU 24 17.070 16.462 31.282 1.00 0.00 H +ATOM 364 CG GLU 24 17.390 16.510 33.390 1.00 0.00 C +ATOM 365 HG1 GLU 24 18.138 15.692 33.460 1.00 0.00 H +ATOM 366 HG2 GLU 24 17.550 17.268 34.188 1.00 0.00 H +ATOM 367 CD GLU 24 16.150 15.770 33.570 1.00 0.00 C +ATOM 368 OE1 GLU 24 15.780 14.970 32.640 1.00 0.00 O +ATOM 369 OE2 GLU 24 15.540 15.860 34.650 1.00 0.00 O +ATOM 370 C GLU 24 18.560 18.370 30.270 1.00 0.00 C +ATOM 371 O GLU 24 18.290 19.570 30.150 1.00 0.00 O +ATOM 372 N ASN 25 18.610 17.550 29.170 1.00 0.00 N +ATOM 373 HN ASN 25 18.850 16.622 29.450 1.00 0.00 H +ATOM 374 CA ASN 25 18.090 17.930 27.870 1.00 0.00 C +ATOM 375 HA ASN 25 17.960 16.964 27.402 1.00 0.00 H +ATOM 376 CB ASN 25 16.610 18.580 27.950 1.00 0.00 C +ATOM 377 HB1 ASN 25 16.690 19.534 28.512 1.00 0.00 H +ATOM 378 HB2 ASN 25 16.078 18.790 26.998 1.00 0.00 H +ATOM 379 CG ASN 25 15.620 17.720 28.640 1.00 0.00 C +ATOM 380 OD1 ASN 25 14.870 18.110 29.520 1.00 0.00 O +ATOM 381 ND2 ASN 25 15.660 16.430 28.380 1.00 0.00 N +ATOM 382 1HD2 ASN 25 16.308 15.982 27.762 1.00 0.00 H +ATOM 383 2HD2 ASN 25 15.008 15.798 28.800 1.00 0.00 H +ATOM 384 C ASN 25 19.040 18.650 27.010 1.00 0.00 C +ATOM 385 O ASN 25 18.710 19.300 26.000 1.00 0.00 O +ATOM 386 N LEU 26 20.390 18.480 27.250 1.00 0.00 N +ATOM 387 HN LEU 26 20.650 17.830 27.960 1.00 0.00 H +ATOM 388 CA LEU 26 21.430 19.050 26.500 1.00 0.00 C +ATOM 389 HA LEU 26 21.180 20.100 26.470 1.00 0.00 H +ATOM 390 CB LEU 26 22.880 18.880 27.070 1.00 0.00 C +ATOM 391 HB1 LEU 26 23.150 17.804 27.140 1.00 0.00 H +ATOM 392 HB2 LEU 26 23.612 19.362 26.388 1.00 0.00 H +ATOM 393 CG LEU 26 23.150 19.370 28.510 1.00 0.00 C +ATOM 394 HG LEU 26 24.252 19.510 28.520 1.00 0.00 H +ATOM 395 CD1 LEU 26 22.500 20.670 28.850 1.00 0.00 C +ATOM 396 1HD1 LEU 26 22.640 21.090 29.870 1.00 0.00 H +ATOM 397 2HD1 LEU 26 22.840 21.452 28.138 1.00 0.00 H +ATOM 398 3HD1 LEU 26 21.402 20.550 28.720 1.00 0.00 H +ATOM 399 CD2 LEU 26 22.920 18.340 29.620 1.00 0.00 C +ATOM 400 1HD2 LEU 26 23.320 18.730 30.580 1.00 0.00 H +ATOM 401 2HD2 LEU 26 21.832 18.120 29.670 1.00 0.00 H +ATOM 402 3HD2 LEU 26 23.360 17.340 29.420 1.00 0.00 H +ATOM 403 C LEU 26 21.480 18.640 25.050 1.00 0.00 C +ATOM 404 O LEU 26 21.760 19.460 24.170 1.00 0.00 O +ATOM 405 N ALA 27 21.220 17.360 24.750 1.00 0.00 N +ATOM 406 HN ALA 27 20.930 16.760 25.490 1.00 0.00 H +ATOM 407 CA ALA 27 21.420 16.650 23.510 1.00 0.00 C +ATOM 408 HA ALA 27 22.446 16.790 23.208 1.00 0.00 H +ATOM 409 CB ALA 27 21.320 15.120 23.870 1.00 0.00 C +ATOM 410 HB1 ALA 27 20.350 14.910 24.370 1.00 0.00 H +ATOM 411 HB2 ALA 27 21.300 14.536 22.926 1.00 0.00 H +ATOM 412 HB3 ALA 27 22.162 14.730 24.482 1.00 0.00 H +ATOM 413 C ALA 27 20.460 17.120 22.390 1.00 0.00 C +ATOM 414 O ALA 27 20.650 16.770 21.280 1.00 0.00 O +ATOM 415 N ARG 28 19.360 17.910 22.740 1.00 0.00 N +ATOM 416 HN ARG 28 19.160 18.230 23.662 1.00 0.00 H +ATOM 417 CA ARG 28 18.320 18.400 21.750 1.00 0.00 C +ATOM 418 HA ARG 28 18.320 17.764 20.876 1.00 0.00 H +ATOM 419 CB ARG 28 16.880 18.320 22.370 1.00 0.00 C +ATOM 420 HB1 ARG 28 16.890 18.872 23.334 1.00 0.00 H +ATOM 421 HB2 ARG 28 16.182 18.800 21.652 1.00 0.00 H +ATOM 422 CG ARG 28 16.300 16.870 22.500 1.00 0.00 C +ATOM 423 HG1 ARG 28 15.242 16.900 22.840 1.00 0.00 H +ATOM 424 HG2 ARG 28 16.280 16.402 21.492 1.00 0.00 H +ATOM 425 CD ARG 28 16.940 15.930 23.540 1.00 0.00 C +ATOM 426 HD1 ARG 28 17.948 15.700 23.132 1.00 0.00 H +ATOM 427 HD2 ARG 28 16.920 16.410 24.542 1.00 0.00 H +ATOM 428 NE ARG 28 16.090 14.710 23.650 1.00 0.00 N +ATOM 429 HE ARG 28 16.422 13.824 23.328 1.00 0.00 H +ATOM 430 CZ ARG 28 15.090 14.480 24.520 1.00 0.00 C +ATOM 431 NH1 ARG 28 14.520 15.490 25.150 1.00 0.00 N +ATOM 432 1HH1 ARG 28 14.720 16.380 24.740 1.00 0.00 H +ATOM 433 2HH1 ARG 28 13.872 15.300 25.888 1.00 0.00 H +ATOM 434 NH2 ARG 28 14.760 13.280 24.830 1.00 0.00 N +ATOM 435 1HH2 ARG 28 15.400 12.580 24.510 1.00 0.00 H +ATOM 436 2HH2 ARG 28 14.258 13.130 25.682 1.00 0.00 H +ATOM 437 C ARG 28 18.660 19.780 21.330 1.00 0.00 C +ATOM 438 O ARG 28 17.970 20.300 20.480 1.00 0.00 O +ATOM 439 N MET 29 19.710 20.480 21.920 1.00 0.00 N +ATOM 440 HN MET 29 20.298 20.002 22.568 1.00 0.00 H +ATOM 441 CA MET 29 19.880 21.890 21.770 1.00 0.00 C +ATOM 442 HA MET 29 19.074 22.384 21.246 1.00 0.00 H +ATOM 443 CB MET 29 20.140 22.490 23.160 1.00 0.00 C +ATOM 444 HB1 MET 29 21.108 22.100 23.540 1.00 0.00 H +ATOM 445 HB2 MET 29 20.418 23.566 23.140 1.00 0.00 H +ATOM 446 CG MET 29 19.040 22.010 24.210 1.00 0.00 C +ATOM 447 HG1 MET 29 18.118 21.790 23.630 1.00 0.00 H +ATOM 448 HG2 MET 29 19.502 21.076 24.592 1.00 0.00 H +ATOM 449 SD MET 29 18.590 23.170 25.620 1.00 0.00 S +ATOM 450 CE MET 29 20.310 23.600 26.160 1.00 0.00 C +ATOM 451 HE1 MET 29 21.090 22.860 25.880 1.00 0.00 H +ATOM 452 HE2 MET 29 20.658 24.556 25.712 1.00 0.00 H +ATOM 453 HE3 MET 29 20.340 23.760 27.258 1.00 0.00 H +ATOM 454 C MET 29 21.130 22.080 21.010 1.00 0.00 C +ATOM 455 O MET 29 22.010 21.250 20.860 1.00 0.00 O +ATOM 456 N ARG 30 21.260 23.240 20.450 1.00 0.00 N +ATOM 457 HN ARG 30 20.592 23.968 20.590 1.00 0.00 H +ATOM 458 CA ARG 30 22.510 23.570 19.740 1.00 0.00 C +ATOM 459 HA ARG 30 22.908 22.802 19.092 1.00 0.00 H +ATOM 460 CB ARG 30 22.300 24.750 18.760 1.00 0.00 C +ATOM 461 HB1 ARG 30 21.780 25.582 19.280 1.00 0.00 H +ATOM 462 HB2 ARG 30 23.276 25.178 18.442 1.00 0.00 H +ATOM 463 CG ARG 30 21.520 24.390 17.500 1.00 0.00 C +ATOM 464 HG1 ARG 30 22.120 23.720 16.850 1.00 0.00 H +ATOM 465 HG2 ARG 30 20.616 23.794 17.748 1.00 0.00 H +ATOM 466 CD ARG 30 21.080 25.640 16.730 1.00 0.00 C +ATOM 467 HD1 ARG 30 20.510 25.330 15.828 1.00 0.00 H +ATOM 468 HD2 ARG 30 20.558 26.414 17.332 1.00 0.00 H +ATOM 469 NE ARG 30 22.300 26.230 16.150 1.00 0.00 N +ATOM 470 HE ARG 30 23.198 25.790 16.170 1.00 0.00 H +ATOM 471 CZ ARG 30 22.300 27.230 15.270 1.00 0.00 C +ATOM 472 NH1 ARG 30 21.290 27.990 14.920 1.00 0.00 N +ATOM 473 1HH1 ARG 30 20.384 27.850 15.318 1.00 0.00 H +ATOM 474 2HH1 ARG 30 21.460 28.590 14.140 1.00 0.00 H +ATOM 475 NH2 ARG 30 23.450 27.560 14.660 1.00 0.00 N +ATOM 476 1HH2 ARG 30 24.216 27.036 15.032 1.00 0.00 H +ATOM 477 2HH2 ARG 30 23.490 28.380 14.090 1.00 0.00 H +ATOM 478 C ARG 30 23.650 23.890 20.730 1.00 0.00 C +ATOM 479 O ARG 30 23.420 24.320 21.840 1.00 0.00 O +ATOM 480 N LYS 31 24.920 23.720 20.280 1.00 0.00 N +ATOM 481 HN LYS 31 25.120 23.430 19.348 1.00 0.00 H +ATOM 482 CA LYS 31 26.160 23.960 21.060 1.00 0.00 C +ATOM 483 HA LYS 31 26.250 23.146 21.764 1.00 0.00 H +ATOM 484 CB LYS 31 27.440 23.790 20.230 1.00 0.00 C +ATOM 485 HB1 LYS 31 27.350 22.772 19.792 1.00 0.00 H +ATOM 486 HB2 LYS 31 27.490 24.480 19.360 1.00 0.00 H +ATOM 487 CG LYS 31 28.670 23.750 21.230 1.00 0.00 C +ATOM 488 HG1 LYS 31 28.670 24.672 21.850 1.00 0.00 H +ATOM 489 HG2 LYS 31 28.380 22.898 21.882 1.00 0.00 H +ATOM 490 CD LYS 31 30.020 23.750 20.550 1.00 0.00 C +ATOM 491 HD1 LYS 31 30.840 23.750 21.300 1.00 0.00 H +ATOM 492 HD2 LYS 31 30.070 22.876 19.866 1.00 0.00 H +ATOM 493 CE LYS 31 30.340 25.020 19.690 1.00 0.00 C +ATOM 494 HE1 LYS 31 29.430 25.200 19.080 1.00 0.00 H +ATOM 495 HE2 LYS 31 30.580 25.872 20.362 1.00 0.00 H +ATOM 496 NZ LYS 31 31.590 24.790 18.860 1.00 0.00 N +ATOM 497 HZ1 LYS 31 32.016 25.722 18.682 1.00 0.00 H +ATOM 498 HZ2 LYS 31 32.280 24.130 19.270 1.00 0.00 H +ATOM 499 HZ3 LYS 31 31.310 24.400 17.938 1.00 0.00 H +ATOM 500 C LYS 31 26.200 25.220 21.810 1.00 0.00 C +ATOM 501 O LYS 31 26.580 25.240 22.990 1.00 0.00 O +ATOM 502 N GLN 32 25.770 26.390 21.240 1.00 0.00 N +ATOM 503 HN GLN 32 25.810 26.500 20.250 1.00 0.00 H +ATOM 504 CA GLN 32 25.650 27.690 21.860 1.00 0.00 C +ATOM 505 HA GLN 32 26.572 27.898 22.386 1.00 0.00 H +ATOM 506 CB GLN 32 25.360 28.740 20.780 1.00 0.00 C +ATOM 507 HB1 GLN 32 25.460 29.750 21.230 1.00 0.00 H +ATOM 508 HB2 GLN 32 26.228 28.660 20.092 1.00 0.00 H +ATOM 509 CG GLN 32 23.990 28.520 20.030 1.00 0.00 C +ATOM 510 HG1 GLN 32 23.870 27.438 19.810 1.00 0.00 H +ATOM 511 HG2 GLN 32 23.204 28.692 20.796 1.00 0.00 H +ATOM 512 CD GLN 32 23.840 29.340 18.760 1.00 0.00 C +ATOM 513 OE1 GLN 32 24.760 29.750 18.070 1.00 0.00 O +ATOM 514 NE2 GLN 32 22.530 29.670 18.390 1.00 0.00 N +ATOM 515 1HE2 GLN 32 21.740 29.540 18.990 1.00 0.00 H +ATOM 516 2HE2 GLN 32 22.470 30.088 17.484 1.00 0.00 H +ATOM 517 C GLN 32 24.670 27.680 23.030 1.00 0.00 C +ATOM 518 O GLN 32 24.990 28.080 24.140 1.00 0.00 O +ATOM 519 N ASP 33 23.450 27.150 22.810 1.00 0.00 N +ATOM 520 HN ASP 33 23.200 26.730 21.940 1.00 0.00 H +ATOM 521 CA ASP 33 22.370 26.970 23.800 1.00 0.00 C +ATOM 522 HA ASP 33 22.230 27.938 24.258 1.00 0.00 H +ATOM 523 CB ASP 33 21.130 26.370 23.230 1.00 0.00 C +ATOM 524 HB1 ASP 33 21.420 25.410 22.750 1.00 0.00 H +ATOM 525 HB2 ASP 33 20.458 26.100 24.072 1.00 0.00 H +ATOM 526 CG ASP 33 20.360 27.410 22.430 1.00 0.00 C +ATOM 527 OD1 ASP 33 20.790 28.590 22.290 1.00 0.00 O +ATOM 528 OD2 ASP 33 19.240 27.060 21.970 1.00 0.00 O +ATOM 529 C ASP 33 22.920 26.130 24.950 1.00 0.00 C +ATOM 530 O ASP 33 22.640 26.290 26.140 1.00 0.00 O +ATOM 531 N ILE 34 23.720 25.100 24.600 1.00 0.00 N +ATOM 532 HN ILE 34 23.860 24.858 23.644 1.00 0.00 H +ATOM 533 CA ILE 34 24.390 24.210 25.550 1.00 0.00 C +ATOM 534 HA ILE 34 23.688 23.840 26.282 1.00 0.00 H +ATOM 535 CB ILE 34 24.950 22.890 25.020 1.00 0.00 C +ATOM 536 HB ILE 34 25.658 23.110 24.192 1.00 0.00 H +ATOM 537 CG2 ILE 34 25.790 22.220 26.070 1.00 0.00 C +ATOM 538 1HG2 ILE 34 26.178 21.222 25.770 1.00 0.00 H +ATOM 539 2HG2 ILE 34 26.776 22.708 26.230 1.00 0.00 H +ATOM 540 3HG2 ILE 34 25.212 22.080 27.008 1.00 0.00 H +ATOM 541 CG1 ILE 34 23.880 22.020 24.400 1.00 0.00 C +ATOM 542 1HG1 ILE 34 23.360 21.500 25.232 1.00 0.00 H +ATOM 543 2HG1 ILE 34 23.090 22.530 23.810 1.00 0.00 H +ATOM 544 CD ILE 34 24.430 20.880 23.590 1.00 0.00 C +ATOM 545 HD1 ILE 34 23.662 20.202 23.160 1.00 0.00 H +ATOM 546 HD2 ILE 34 25.158 21.240 22.832 1.00 0.00 H +ATOM 547 HD3 ILE 34 25.052 20.176 24.182 1.00 0.00 H +ATOM 548 C ILE 34 25.410 24.960 26.470 1.00 0.00 C +ATOM 549 O ILE 34 25.280 24.870 27.720 1.00 0.00 O +ATOM 550 N ILE 35 26.310 25.770 25.890 1.00 0.00 N +ATOM 551 HN ILE 35 26.500 25.690 24.914 1.00 0.00 H +ATOM 552 CA ILE 35 27.280 26.510 26.640 1.00 0.00 C +ATOM 553 HA ILE 35 27.630 25.872 27.438 1.00 0.00 H +ATOM 554 CB ILE 35 28.520 26.890 25.850 1.00 0.00 C +ATOM 555 HB ILE 35 29.312 27.180 26.572 1.00 0.00 H +ATOM 556 CG2 ILE 35 29.080 25.590 25.250 1.00 0.00 C +ATOM 557 1HG2 ILE 35 30.006 25.600 24.636 1.00 0.00 H +ATOM 558 2HG2 ILE 35 29.378 24.922 26.086 1.00 0.00 H +ATOM 559 3HG2 ILE 35 28.350 25.090 24.580 1.00 0.00 H +ATOM 560 CG1 ILE 35 28.270 27.980 24.730 1.00 0.00 C +ATOM 561 1HG1 ILE 35 27.406 27.598 24.146 1.00 0.00 H +ATOM 562 2HG1 ILE 35 27.888 28.976 25.042 1.00 0.00 H +ATOM 563 CD ILE 35 29.380 28.190 23.680 1.00 0.00 C +ATOM 564 HD1 ILE 35 29.480 27.238 23.114 1.00 0.00 H +ATOM 565 HD2 ILE 35 29.020 29.060 23.090 1.00 0.00 H +ATOM 566 HD3 ILE 35 30.318 28.460 24.210 1.00 0.00 H +ATOM 567 C ILE 35 26.720 27.700 27.410 1.00 0.00 C +ATOM 568 O ILE 35 27.220 27.990 28.500 1.00 0.00 O +ATOM 569 N PHE 36 25.670 28.320 26.820 1.00 0.00 N +ATOM 570 HN PHE 36 25.410 28.150 25.872 1.00 0.00 H +ATOM 571 CA PHE 36 24.900 29.290 27.620 1.00 0.00 C +ATOM 572 HA PHE 36 25.574 30.046 27.992 1.00 0.00 H +ATOM 573 CB PHE 36 23.680 29.850 26.870 1.00 0.00 C +ATOM 574 HB1 PHE 36 23.220 29.008 26.310 1.00 0.00 H +ATOM 575 HB2 PHE 36 22.926 30.312 27.542 1.00 0.00 H +ATOM 576 CG PHE 36 24.050 30.910 25.870 1.00 0.00 C +ATOM 577 CD1 PHE 36 25.290 31.000 25.210 1.00 0.00 C +ATOM 578 HD1 PHE 36 25.980 30.180 25.070 1.00 0.00 H +ATOM 579 CE1 PHE 36 25.570 32.080 24.370 1.00 0.00 C +ATOM 580 HE1 PHE 36 26.468 32.110 23.772 1.00 0.00 H +ATOM 581 CZ PHE 36 24.710 33.170 24.360 1.00 0.00 C +ATOM 582 HZ PHE 36 24.930 34.040 23.760 1.00 0.00 H +ATOM 583 CD2 PHE 36 23.250 32.060 25.810 1.00 0.00 C +ATOM 584 HD2 PHE 36 22.332 32.030 26.378 1.00 0.00 H +ATOM 585 CE2 PHE 36 23.590 33.120 25.120 1.00 0.00 C +ATOM 586 HE2 PHE 36 23.030 34.042 25.070 1.00 0.00 H +ATOM 587 C PHE 36 24.280 28.660 28.850 1.00 0.00 C +ATOM 588 O PHE 36 24.360 29.310 29.870 1.00 0.00 O +ATOM 589 N ALA 37 23.620 27.480 28.770 1.00 0.00 N +ATOM 590 HN ALA 37 23.620 26.948 27.928 1.00 0.00 H +ATOM 591 CA ALA 37 22.990 26.940 29.980 1.00 0.00 C +ATOM 592 HA ALA 37 22.304 27.586 30.508 1.00 0.00 H +ATOM 593 CB ALA 37 22.160 25.750 29.470 1.00 0.00 C +ATOM 594 HB1 ALA 37 22.838 24.992 29.022 1.00 0.00 H +ATOM 595 HB2 ALA 37 21.492 25.482 30.316 1.00 0.00 H +ATOM 596 HB3 ALA 37 21.540 26.130 28.630 1.00 0.00 H +ATOM 597 C ALA 37 23.970 26.400 30.980 1.00 0.00 C +ATOM 598 O ALA 37 23.790 26.610 32.170 1.00 0.00 O +ATOM 599 N ILE 38 25.140 25.810 30.650 1.00 0.00 N +ATOM 600 HN ILE 38 25.382 25.378 29.786 1.00 0.00 H +ATOM 601 CA ILE 38 26.270 25.480 31.540 1.00 0.00 C +ATOM 602 HA ILE 38 25.940 24.912 32.398 1.00 0.00 H +ATOM 603 CB ILE 38 27.340 24.760 30.820 1.00 0.00 C +ATOM 604 HB ILE 38 27.552 25.202 29.824 1.00 0.00 H +ATOM 605 CG2 ILE 38 28.690 24.880 31.480 1.00 0.00 C +ATOM 606 1HG2 ILE 38 29.456 24.362 30.864 1.00 0.00 H +ATOM 607 2HG2 ILE 38 29.038 25.936 31.450 1.00 0.00 H +ATOM 608 3HG2 ILE 38 28.570 24.518 32.524 1.00 0.00 H +ATOM 609 CG1 ILE 38 26.820 23.270 30.610 1.00 0.00 C +ATOM 610 1HG1 ILE 38 26.948 22.694 31.552 1.00 0.00 H +ATOM 611 2HG1 ILE 38 25.728 23.380 30.440 1.00 0.00 H +ATOM 612 CD ILE 38 27.470 22.630 29.430 1.00 0.00 C +ATOM 613 HD1 ILE 38 26.930 21.770 28.980 1.00 0.00 H +ATOM 614 HD2 ILE 38 27.580 23.436 28.674 1.00 0.00 H +ATOM 615 HD3 ILE 38 28.500 22.350 29.740 1.00 0.00 H +ATOM 616 C ILE 38 26.780 26.730 32.300 1.00 0.00 C +ATOM 617 O ILE 38 26.940 26.750 33.500 1.00 0.00 O +ATOM 618 N LEU 39 27.100 27.820 31.560 1.00 0.00 N +ATOM 619 HN LEU 39 26.920 27.770 30.580 1.00 0.00 H +ATOM 620 CA LEU 39 27.740 29.030 32.140 1.00 0.00 C +ATOM 621 HA LEU 39 28.482 28.720 32.862 1.00 0.00 H +ATOM 622 CB LEU 39 28.290 29.900 30.990 1.00 0.00 C +ATOM 623 HB1 LEU 39 27.428 29.920 30.290 1.00 0.00 H +ATOM 624 HB2 LEU 39 28.518 30.912 31.388 1.00 0.00 H +ATOM 625 CG LEU 39 29.560 29.500 30.190 1.00 0.00 C +ATOM 626 HG LEU 39 29.460 28.438 29.880 1.00 0.00 H +ATOM 627 CD1 LEU 39 29.830 30.250 28.870 1.00 0.00 C +ATOM 628 1HD1 LEU 39 29.110 29.920 28.090 1.00 0.00 H +ATOM 629 2HD1 LEU 39 29.820 31.356 28.980 1.00 0.00 H +ATOM 630 3HD1 LEU 39 30.866 30.080 28.508 1.00 0.00 H +ATOM 631 CD2 LEU 39 30.760 29.620 31.140 1.00 0.00 C +ATOM 632 1HD2 LEU 39 30.578 29.006 32.046 1.00 0.00 H +ATOM 633 2HD2 LEU 39 31.608 29.092 30.652 1.00 0.00 H +ATOM 634 3HD2 LEU 39 30.940 30.692 31.370 1.00 0.00 H +ATOM 635 C LEU 39 26.750 29.940 32.930 1.00 0.00 C +ATOM 636 O LEU 39 27.150 30.430 34.000 1.00 0.00 O +ATOM 637 N LYS 40 25.440 29.900 32.500 1.00 0.00 N +ATOM 638 HN LYS 40 25.120 29.590 31.608 1.00 0.00 H +ATOM 639 CA LYS 40 24.340 30.310 33.360 1.00 0.00 C +ATOM 640 HA LYS 40 24.430 31.368 33.560 1.00 0.00 H +ATOM 641 CB LYS 40 22.990 30.180 32.680 1.00 0.00 C +ATOM 642 HB1 LYS 40 23.020 29.288 32.018 1.00 0.00 H +ATOM 643 HB2 LYS 40 22.182 29.830 33.358 1.00 0.00 H +ATOM 644 CG LYS 40 22.610 31.300 31.670 1.00 0.00 C +ATOM 645 HG1 LYS 40 22.450 32.256 32.214 1.00 0.00 H +ATOM 646 HG2 LYS 40 23.474 31.440 30.986 1.00 0.00 H +ATOM 647 CD LYS 40 21.370 30.910 30.840 1.00 0.00 C +ATOM 648 HD1 LYS 40 21.500 29.884 30.438 1.00 0.00 H +ATOM 649 HD2 LYS 40 20.578 30.750 31.602 1.00 0.00 H +ATOM 650 CE LYS 40 21.010 31.930 29.800 1.00 0.00 C +ATOM 651 HE1 LYS 40 20.822 32.954 30.188 1.00 0.00 H +ATOM 652 HE2 LYS 40 21.854 32.030 29.086 1.00 0.00 H +ATOM 653 NZ LYS 40 19.800 31.480 29.010 1.00 0.00 N +ATOM 654 HZ1 LYS 40 19.930 30.654 28.392 1.00 0.00 H +ATOM 655 HZ2 LYS 40 19.020 31.280 29.670 1.00 0.00 H +ATOM 656 HZ3 LYS 40 19.530 32.346 28.502 1.00 0.00 H +ATOM 657 C LYS 40 24.310 29.620 34.660 1.00 0.00 C +ATOM 658 O LYS 40 24.290 30.140 35.730 1.00 0.00 O +ATOM 659 N GLN 41 24.430 28.230 34.580 1.00 0.00 N +ATOM 660 HN GLN 41 24.750 27.800 33.740 1.00 0.00 H +ATOM 661 CA GLN 41 24.230 27.410 35.800 1.00 0.00 C +ATOM 662 HA GLN 41 23.448 27.900 36.360 1.00 0.00 H +ATOM 663 CB GLN 41 23.900 25.930 35.410 1.00 0.00 C +ATOM 664 HB1 GLN 41 23.080 26.100 34.680 1.00 0.00 H +ATOM 665 HB2 GLN 41 24.760 25.480 34.870 1.00 0.00 H +ATOM 666 CG GLN 41 23.350 24.910 36.430 1.00 0.00 C +ATOM 667 HG1 GLN 41 22.960 24.098 35.780 1.00 0.00 H +ATOM 668 HG2 GLN 41 24.178 24.590 37.098 1.00 0.00 H +ATOM 669 CD GLN 41 22.190 25.450 37.300 1.00 0.00 C +ATOM 670 OE1 GLN 41 21.520 26.440 36.930 1.00 0.00 O +ATOM 671 NE2 GLN 41 21.950 24.910 38.460 1.00 0.00 N +ATOM 672 1HE2 GLN 41 22.648 24.252 38.740 1.00 0.00 H +ATOM 673 2HE2 GLN 41 21.086 25.202 38.872 1.00 0.00 H +ATOM 674 C GLN 41 25.410 27.410 36.730 1.00 0.00 C +ATOM 675 O GLN 41 25.280 27.590 37.940 1.00 0.00 O +ATOM 676 N HIS 42 26.670 27.460 36.160 1.00 0.00 N +ATOM 677 HN HIS 42 26.800 27.520 35.174 1.00 0.00 H +ATOM 678 CA HIS 42 27.910 27.610 36.980 1.00 0.00 C +ATOM 679 HA HIS 42 27.880 26.846 37.744 1.00 0.00 H +ATOM 680 CB HIS 42 29.110 27.460 36.000 1.00 0.00 C +ATOM 681 HB1 HIS 42 29.120 26.468 35.500 1.00 0.00 H +ATOM 682 HB2 HIS 42 29.220 28.308 35.292 1.00 0.00 H +ATOM 683 ND1 HIS 42 30.800 26.410 37.680 1.00 0.00 N +ATOM 684 CG HIS 42 30.380 27.470 36.890 1.00 0.00 C +ATOM 685 CE1 HIS 42 32.020 26.600 38.040 1.00 0.00 C +ATOM 686 HE1 HIS 42 32.568 26.012 38.778 1.00 0.00 H +ATOM 687 NE2 HIS 42 32.440 27.720 37.500 1.00 0.00 N +ATOM 688 HE2 HIS 42 33.370 28.090 37.520 1.00 0.00 H +ATOM 689 CD2 HIS 42 31.430 28.270 36.750 1.00 0.00 C +ATOM 690 HD2 HIS 42 31.340 29.160 36.140 1.00 0.00 H +ATOM 691 C HIS 42 27.870 28.940 37.680 1.00 0.00 C +ATOM 692 O HIS 42 28.160 29.100 38.850 1.00 0.00 O +ATOM 693 N ALA 43 27.350 30.030 36.980 1.00 0.00 N +ATOM 694 HN ALA 43 27.050 29.950 36.032 1.00 0.00 H +ATOM 695 CA ALA 43 27.220 31.350 37.620 1.00 0.00 C +ATOM 696 HA ALA 43 28.082 31.660 38.192 1.00 0.00 H +ATOM 697 CB ALA 43 26.950 32.390 36.560 1.00 0.00 C +ATOM 698 HB1 ALA 43 25.998 32.290 35.998 1.00 0.00 H +ATOM 699 HB2 ALA 43 26.910 33.356 37.108 1.00 0.00 H +ATOM 700 HB3 ALA 43 27.736 32.500 35.784 1.00 0.00 H +ATOM 701 C ALA 43 26.110 31.370 38.720 1.00 0.00 C +ATOM 702 O ALA 43 26.270 32.070 39.720 1.00 0.00 O +ATOM 703 N LYS 44 25.130 30.430 38.690 1.00 0.00 N +ATOM 704 HN LYS 44 24.850 30.100 37.792 1.00 0.00 H +ATOM 705 CA LYS 44 24.210 30.350 39.870 1.00 0.00 C +ATOM 706 HA LYS 44 23.920 31.370 40.080 1.00 0.00 H +ATOM 707 CB LYS 44 22.890 29.500 39.740 1.00 0.00 C +ATOM 708 HB1 LYS 44 23.130 28.416 39.700 1.00 0.00 H +ATOM 709 HB2 LYS 44 22.192 29.600 40.598 1.00 0.00 H +ATOM 710 CG LYS 44 22.120 29.800 38.470 1.00 0.00 C +ATOM 711 HG1 LYS 44 22.650 29.480 37.548 1.00 0.00 H +ATOM 712 HG2 LYS 44 21.240 29.120 38.480 1.00 0.00 H +ATOM 713 CD LYS 44 21.620 31.230 38.380 1.00 0.00 C +ATOM 714 HD1 LYS 44 20.946 31.572 39.194 1.00 0.00 H +ATOM 715 HD2 LYS 44 22.544 31.842 38.460 1.00 0.00 H +ATOM 716 CE LYS 44 21.080 31.470 36.990 1.00 0.00 C +ATOM 717 HE1 LYS 44 21.762 31.320 36.126 1.00 0.00 H +ATOM 718 HE2 LYS 44 20.178 30.838 36.840 1.00 0.00 H +ATOM 719 NZ LYS 44 20.550 32.870 36.900 1.00 0.00 N +ATOM 720 HZ1 LYS 44 20.590 33.010 35.870 1.00 0.00 H +ATOM 721 HZ2 LYS 44 19.564 33.000 37.202 1.00 0.00 H +ATOM 722 HZ3 LYS 44 21.174 33.614 37.272 1.00 0.00 H +ATOM 723 C LYS 44 24.830 29.830 41.070 1.00 0.00 C +ATOM 724 O LYS 44 24.430 30.140 42.200 1.00 0.00 O +ATOM 725 N SER 45 25.860 28.970 40.920 1.00 0.00 N +ATOM 726 HN SER 45 26.138 28.770 39.984 1.00 0.00 H +ATOM 727 CA SER 45 26.500 28.400 42.040 1.00 0.00 C +ATOM 728 HA SER 45 25.812 28.052 42.798 1.00 0.00 H +ATOM 729 CB SER 45 27.400 27.190 41.710 1.00 0.00 C +ATOM 730 HB1 SER 45 26.858 26.578 40.958 1.00 0.00 H +ATOM 731 HB2 SER 45 28.354 27.440 41.198 1.00 0.00 H +ATOM 732 OG SER 45 27.860 26.490 42.910 1.00 0.00 O +ATOM 733 HG1 SER 45 28.168 27.166 43.518 1.00 0.00 H +ATOM 734 C SER 45 27.270 29.470 42.780 1.00 0.00 C +ATOM 735 O SER 45 27.370 29.370 43.960 1.00 0.00 O +ATOM 736 N GLY 46 27.720 30.590 42.160 1.00 0.00 N +ATOM 737 HN GLY 46 27.500 30.740 41.200 1.00 0.00 H +ATOM 738 CA GLY 46 28.560 31.560 42.910 1.00 0.00 C +ATOM 739 HA1 GLY 46 28.058 32.514 42.970 1.00 0.00 H +ATOM 740 HA2 GLY 46 28.892 31.128 43.842 1.00 0.00 H +ATOM 741 C GLY 46 29.870 31.760 42.320 1.00 0.00 C +ATOM 742 O GLY 46 30.760 32.340 42.980 1.00 0.00 O +ATOM 743 N GLU 47 30.060 31.150 41.120 1.00 0.00 N +ATOM 744 HN GLU 47 29.268 30.828 40.608 1.00 0.00 H +ATOM 745 CA GLU 47 31.370 30.930 40.560 1.00 0.00 C +ATOM 746 HA GLU 47 32.140 31.240 41.250 1.00 0.00 H +ATOM 747 CB GLU 47 31.520 29.450 40.030 1.00 0.00 C +ATOM 748 HB1 GLU 47 30.738 29.340 39.248 1.00 0.00 H +ATOM 749 HB2 GLU 47 32.524 29.390 39.558 1.00 0.00 H +ATOM 750 CG GLU 47 31.430 28.350 41.030 1.00 0.00 C +ATOM 751 HG1 GLU 47 30.352 28.240 41.280 1.00 0.00 H +ATOM 752 HG2 GLU 47 31.772 27.356 40.668 1.00 0.00 H +ATOM 753 CD GLU 47 32.170 28.640 42.380 1.00 0.00 C +ATOM 754 OE1 GLU 47 33.290 29.200 42.530 1.00 0.00 O +ATOM 755 OE2 GLU 47 31.560 28.030 43.300 1.00 0.00 O +ATOM 756 C GLU 47 31.540 31.890 39.350 1.00 0.00 C +ATOM 757 O GLU 47 30.550 32.080 38.620 1.00 0.00 O +ATOM 758 N ASP 48 32.750 32.550 39.310 1.00 0.00 N +ATOM 759 HN ASP 48 33.288 32.510 40.148 1.00 0.00 H +ATOM 760 CA ASP 48 33.120 33.370 38.210 1.00 0.00 C +ATOM 761 HA ASP 48 32.270 34.030 38.110 1.00 0.00 H +ATOM 762 CB ASP 48 34.430 34.150 38.380 1.00 0.00 C +ATOM 763 HB1 ASP 48 35.280 33.440 38.450 1.00 0.00 H +ATOM 764 HB2 ASP 48 34.530 34.860 37.530 1.00 0.00 H +ATOM 765 CG ASP 48 34.420 34.890 39.680 1.00 0.00 C +ATOM 766 OD1 ASP 48 33.370 35.070 40.290 1.00 0.00 O +ATOM 767 OD2 ASP 48 35.460 35.410 40.070 1.00 0.00 O +ATOM 768 C ASP 48 33.150 32.600 36.890 1.00 0.00 C +ATOM 769 O ASP 48 33.520 31.440 36.750 1.00 0.00 O +ATOM 770 N ILE 49 32.690 33.380 35.850 1.00 0.00 N +ATOM 771 HN ILE 49 32.282 34.256 36.098 1.00 0.00 H +ATOM 772 CA ILE 49 32.810 33.020 34.450 1.00 0.00 C +ATOM 773 HA ILE 49 33.550 32.250 34.290 1.00 0.00 H +ATOM 774 CB ILE 49 31.450 32.660 33.860 1.00 0.00 C +ATOM 775 HB ILE 49 31.610 32.630 32.760 1.00 0.00 H +ATOM 776 CG2 ILE 49 31.000 31.280 34.440 1.00 0.00 C +ATOM 777 1HG2 ILE 49 29.974 31.080 34.062 1.00 0.00 H +ATOM 778 2HG2 ILE 49 31.652 30.458 34.078 1.00 0.00 H +ATOM 779 3HG2 ILE 49 30.980 31.330 35.550 1.00 0.00 H +ATOM 780 CG1 ILE 49 30.290 33.640 33.900 1.00 0.00 C +ATOM 781 1HG1 ILE 49 29.958 33.740 34.956 1.00 0.00 H +ATOM 782 2HG1 ILE 49 30.672 34.664 33.700 1.00 0.00 H +ATOM 783 CD ILE 49 29.150 33.350 32.960 1.00 0.00 C +ATOM 784 HD1 ILE 49 28.410 34.160 32.790 1.00 0.00 H +ATOM 785 HD2 ILE 49 29.518 33.400 31.912 1.00 0.00 H +ATOM 786 HD3 ILE 49 28.740 32.380 33.310 1.00 0.00 H +ATOM 787 C ILE 49 33.460 34.180 33.640 1.00 0.00 C +ATOM 788 O ILE 49 33.400 35.320 33.960 1.00 0.00 O +ATOM 789 N PHE 50 34.180 33.730 32.600 1.00 0.00 N +ATOM 790 HN PHE 50 34.390 32.788 32.350 1.00 0.00 H +ATOM 791 CA PHE 50 35.080 34.570 31.900 1.00 0.00 C +ATOM 792 HA PHE 50 34.960 35.624 32.100 1.00 0.00 H +ATOM 793 CB PHE 50 36.520 34.090 32.160 1.00 0.00 C +ATOM 794 HB1 PHE 50 36.520 33.006 31.920 1.00 0.00 H +ATOM 795 HB2 PHE 50 37.226 34.716 31.574 1.00 0.00 H +ATOM 796 CG PHE 50 36.980 34.230 33.640 1.00 0.00 C +ATOM 797 CD1 PHE 50 36.820 33.180 34.540 1.00 0.00 C +ATOM 798 HD1 PHE 50 36.292 32.334 34.122 1.00 0.00 H +ATOM 799 CE1 PHE 50 37.290 33.260 35.850 1.00 0.00 C +ATOM 800 HE1 PHE 50 37.070 32.450 36.530 1.00 0.00 H +ATOM 801 CZ PHE 50 37.940 34.420 36.230 1.00 0.00 C +ATOM 802 HZ PHE 50 38.374 34.390 37.218 1.00 0.00 H +ATOM 803 CD2 PHE 50 37.500 35.460 34.120 1.00 0.00 C +ATOM 804 HD2 PHE 50 37.560 36.350 33.510 1.00 0.00 H +ATOM 805 CE2 PHE 50 38.120 35.530 35.380 1.00 0.00 C +ATOM 806 HE2 PHE 50 38.552 36.434 35.782 1.00 0.00 H +ATOM 807 C PHE 50 34.750 34.470 30.410 1.00 0.00 C +ATOM 808 O PHE 50 34.320 33.400 29.970 1.00 0.00 O +ATOM 809 N GLY 51 34.990 35.560 29.650 1.00 0.00 N +ATOM 810 HN GLY 51 35.250 36.430 30.060 1.00 0.00 H +ATOM 811 CA GLY 51 34.940 35.510 28.240 1.00 0.00 C +ATOM 812 HA1 GLY 51 35.230 34.538 27.870 1.00 0.00 H +ATOM 813 HA2 GLY 51 34.020 35.970 27.910 1.00 0.00 H +ATOM 814 C GLY 51 36.000 36.460 27.640 1.00 0.00 C +ATOM 815 O GLY 51 36.750 37.010 28.420 1.00 0.00 O +ATOM 816 N ASP 52 36.040 36.560 26.310 1.00 0.00 N +ATOM 817 HN ASP 52 35.360 36.030 25.810 1.00 0.00 H +ATOM 818 CA ASP 52 37.030 37.340 25.680 1.00 0.00 C +ATOM 819 HA ASP 52 37.080 38.258 26.248 1.00 0.00 H +ATOM 820 CB ASP 52 38.420 36.660 25.570 1.00 0.00 C +ATOM 821 HB1 ASP 52 39.112 37.432 25.170 1.00 0.00 H +ATOM 822 HB2 ASP 52 38.610 36.350 26.620 1.00 0.00 H +ATOM 823 CG ASP 52 38.620 35.410 24.760 1.00 0.00 C +ATOM 824 OD1 ASP 52 37.650 34.700 24.400 1.00 0.00 O +ATOM 825 OD2 ASP 52 39.820 35.060 24.530 1.00 0.00 O +ATOM 826 C ASP 52 36.650 37.770 24.320 1.00 0.00 C +ATOM 827 O ASP 52 35.690 37.210 23.740 1.00 0.00 O +ATOM 828 N GLY 53 37.200 38.760 23.620 1.00 0.00 N +ATOM 829 HN GLY 53 37.910 39.340 24.010 1.00 0.00 H +ATOM 830 CA GLY 53 36.960 38.790 22.200 1.00 0.00 C +ATOM 831 HA1 GLY 53 37.488 38.014 21.664 1.00 0.00 H +ATOM 832 HA2 GLY 53 35.918 38.720 21.930 1.00 0.00 H +ATOM 833 C GLY 53 37.490 40.070 21.610 1.00 0.00 C +ATOM 834 O GLY 53 38.100 40.810 22.360 1.00 0.00 O +ATOM 835 N VAL 54 37.300 40.330 20.360 1.00 0.00 N +ATOM 836 HN VAL 54 36.842 39.612 19.842 1.00 0.00 H +ATOM 837 CA VAL 54 37.770 41.480 19.620 1.00 0.00 C +ATOM 838 HA VAL 54 38.604 41.912 20.152 1.00 0.00 H +ATOM 839 CB VAL 54 38.200 41.050 18.250 1.00 0.00 C +ATOM 840 HB VAL 54 37.278 40.910 17.648 1.00 0.00 H +ATOM 841 CG1 VAL 54 39.180 42.040 17.560 1.00 0.00 C +ATOM 842 1HG1 VAL 54 40.084 42.292 18.154 1.00 0.00 H +ATOM 843 2HG1 VAL 54 39.450 41.610 16.572 1.00 0.00 H +ATOM 844 3HG1 VAL 54 38.738 43.054 17.450 1.00 0.00 H +ATOM 845 CG2 VAL 54 39.000 39.690 18.320 1.00 0.00 C +ATOM 846 1HG2 VAL 54 39.428 39.690 17.294 1.00 0.00 H +ATOM 847 2HG2 VAL 54 39.884 39.660 18.992 1.00 0.00 H +ATOM 848 3HG2 VAL 54 38.390 38.840 18.690 1.00 0.00 H +ATOM 849 C VAL 54 36.590 42.510 19.510 1.00 0.00 C +ATOM 850 O VAL 54 35.530 42.160 19.020 1.00 0.00 O +ATOM 851 N LEU 55 36.740 43.640 20.150 1.00 0.00 N +ATOM 852 HN LEU 55 37.648 43.900 20.470 1.00 0.00 H +ATOM 853 CA LEU 55 35.770 44.650 20.230 1.00 0.00 C +ATOM 854 HA LEU 55 34.850 44.240 20.620 1.00 0.00 H +ATOM 855 CB LEU 55 36.130 45.730 21.290 1.00 0.00 C +ATOM 856 HB1 LEU 55 36.150 45.230 22.282 1.00 0.00 H +ATOM 857 HB2 LEU 55 37.188 45.980 21.060 1.00 0.00 H +ATOM 858 CG LEU 55 35.260 46.960 21.320 1.00 0.00 C +ATOM 859 HG LEU 55 35.120 47.420 20.318 1.00 0.00 H +ATOM 860 CD1 LEU 55 33.910 46.570 22.060 1.00 0.00 C +ATOM 861 1HD1 LEU 55 34.140 45.920 22.930 1.00 0.00 H +ATOM 862 2HD1 LEU 55 33.292 47.408 22.448 1.00 0.00 H +ATOM 863 3HD1 LEU 55 33.148 46.188 21.348 1.00 0.00 H +ATOM 864 CD2 LEU 55 35.970 48.040 22.190 1.00 0.00 C +ATOM 865 1HD2 LEU 55 37.024 48.270 21.928 1.00 0.00 H +ATOM 866 2HD2 LEU 55 35.380 48.980 22.250 1.00 0.00 H +ATOM 867 3HD2 LEU 55 36.000 47.650 23.230 1.00 0.00 H +ATOM 868 C LEU 55 35.410 45.340 18.910 1.00 0.00 C +ATOM 869 O LEU 55 36.250 45.840 18.130 1.00 0.00 O +ATOM 870 N GLU 56 34.130 45.450 18.540 1.00 0.00 N +ATOM 871 HN GLU 56 33.372 44.972 18.978 1.00 0.00 H +ATOM 872 CA GLU 56 33.660 46.500 17.710 1.00 0.00 C +ATOM 873 HA GLU 56 34.458 47.168 17.420 1.00 0.00 H +ATOM 874 CB GLU 56 32.970 45.850 16.490 1.00 0.00 C +ATOM 875 HB1 GLU 56 33.806 45.630 15.792 1.00 0.00 H +ATOM 876 HB2 GLU 56 32.490 44.882 16.750 1.00 0.00 H +ATOM 877 CG GLU 56 31.900 46.750 15.790 1.00 0.00 C +ATOM 878 HG1 GLU 56 31.080 47.070 16.470 1.00 0.00 H +ATOM 879 HG2 GLU 56 32.388 47.726 15.580 1.00 0.00 H +ATOM 880 CD GLU 56 31.270 46.210 14.520 1.00 0.00 C +ATOM 881 OE1 GLU 56 31.530 45.100 14.070 1.00 0.00 O +ATOM 882 OE2 GLU 56 30.450 46.900 13.920 1.00 0.00 O +ATOM 883 C GLU 56 32.650 47.340 18.450 1.00 0.00 C +ATOM 884 O GLU 56 31.770 46.820 19.070 1.00 0.00 O +ATOM 885 N ILE 57 32.820 48.630 18.380 1.00 0.00 N +ATOM 886 HN ILE 57 33.616 48.978 17.892 1.00 0.00 H +ATOM 887 CA ILE 57 31.800 49.580 18.900 1.00 0.00 C +ATOM 888 HA ILE 57 31.228 49.118 19.692 1.00 0.00 H +ATOM 889 CB ILE 57 32.470 50.820 19.430 1.00 0.00 C +ATOM 890 HB ILE 57 32.892 51.392 18.576 1.00 0.00 H +ATOM 891 CG2 ILE 57 31.560 51.670 20.360 1.00 0.00 C +ATOM 892 1HG2 ILE 57 32.160 52.530 20.730 1.00 0.00 H +ATOM 893 2HG2 ILE 57 30.616 51.952 19.848 1.00 0.00 H +ATOM 894 3HG2 ILE 57 31.202 50.994 21.166 1.00 0.00 H +ATOM 895 CG1 ILE 57 33.780 50.350 20.210 1.00 0.00 C +ATOM 896 1HG1 ILE 57 33.390 49.580 20.910 1.00 0.00 H +ATOM 897 2HG1 ILE 57 34.538 49.932 19.512 1.00 0.00 H +ATOM 898 CD ILE 57 34.420 51.470 21.030 1.00 0.00 C +ATOM 899 HD1 ILE 57 35.456 51.258 21.372 1.00 0.00 H +ATOM 900 HD2 ILE 57 34.500 52.412 20.448 1.00 0.00 H +ATOM 901 HD3 ILE 57 33.802 51.650 21.936 1.00 0.00 H +ATOM 902 C ILE 57 30.810 49.880 17.760 1.00 0.00 C +ATOM 903 O ILE 57 31.160 50.020 16.610 1.00 0.00 O +ATOM 904 N LEU 58 29.490 50.070 18.090 1.00 0.00 N +ATOM 905 HN LEU 58 29.190 49.870 19.020 1.00 0.00 H +ATOM 906 CA LEU 58 28.450 50.390 17.150 1.00 0.00 C +ATOM 907 HA LEU 58 28.840 50.260 16.152 1.00 0.00 H +ATOM 908 CB LEU 58 27.300 49.390 17.340 1.00 0.00 C +ATOM 909 HB1 LEU 58 26.760 49.580 18.292 1.00 0.00 H +ATOM 910 HB2 LEU 58 26.524 49.570 16.564 1.00 0.00 H +ATOM 911 CG LEU 58 27.490 47.870 17.400 1.00 0.00 C +ATOM 912 HG LEU 58 28.128 47.730 18.298 1.00 0.00 H +ATOM 913 CD1 LEU 58 26.110 47.240 17.518 1.00 0.00 C +ATOM 914 1HD1 LEU 58 25.462 47.718 16.754 1.00 0.00 H +ATOM 915 2HD1 LEU 58 26.200 46.166 17.252 1.00 0.00 H +ATOM 916 3HD1 LEU 58 25.606 47.392 18.498 1.00 0.00 H +ATOM 917 CD2 LEU 58 28.170 47.390 16.180 1.00 0.00 C +ATOM 918 1HD2 LEU 58 27.610 47.440 15.222 1.00 0.00 H +ATOM 919 2HD2 LEU 58 29.136 47.928 16.080 1.00 0.00 H +ATOM 920 3HD2 LEU 58 28.280 46.306 16.398 1.00 0.00 H +ATOM 921 C LEU 58 27.990 51.820 17.330 1.00 0.00 C +ATOM 922 O LEU 58 28.270 52.480 18.350 1.00 0.00 O +ATOM 923 N GLN 59 27.260 52.320 16.350 1.00 0.00 N +ATOM 924 HN GLN 59 27.050 51.678 15.618 1.00 0.00 H +ATOM 925 CA GLN 59 26.650 53.720 16.320 1.00 0.00 C +ATOM 926 HA GLN 59 27.494 54.392 16.280 1.00 0.00 H +ATOM 927 CB GLN 59 25.730 53.970 15.070 1.00 0.00 C +ATOM 928 HB1 GLN 59 26.298 53.620 14.182 1.00 0.00 H +ATOM 929 HB2 GLN 59 24.858 53.308 15.260 1.00 0.00 H +ATOM 930 CG GLN 59 25.280 55.430 14.900 1.00 0.00 C +ATOM 931 HG1 GLN 59 24.630 55.760 15.740 1.00 0.00 H +ATOM 932 HG2 GLN 59 26.192 56.062 14.930 1.00 0.00 H +ATOM 933 CD GLN 59 24.390 55.480 13.600 1.00 0.00 C +ATOM 934 OE1 GLN 59 24.130 54.420 12.990 1.00 0.00 O +ATOM 935 NE2 GLN 59 23.990 56.640 13.180 1.00 0.00 N +ATOM 936 1HE2 GLN 59 24.388 57.476 13.558 1.00 0.00 H +ATOM 937 2HE2 GLN 59 23.568 56.640 12.274 1.00 0.00 H +ATOM 938 C GLN 59 25.980 54.090 17.640 1.00 0.00 C +ATOM 939 O GLN 59 26.140 55.210 18.100 1.00 0.00 O +ATOM 940 N ASP 60 25.260 53.170 18.420 1.00 0.00 N +ATOM 941 HN ASP 60 25.050 52.260 18.070 1.00 0.00 H +ATOM 942 CA ASP 60 24.540 53.610 19.600 1.00 0.00 C +ATOM 943 HA ASP 60 24.094 54.572 19.392 1.00 0.00 H +ATOM 944 CB ASP 60 23.520 52.470 20.050 1.00 0.00 C +ATOM 945 HB1 ASP 60 23.972 51.456 20.060 1.00 0.00 H +ATOM 946 HB2 ASP 60 23.162 52.808 21.046 1.00 0.00 H +ATOM 947 CG ASP 60 22.330 52.470 19.090 1.00 0.00 C +ATOM 948 OD1 ASP 60 22.090 53.540 18.480 1.00 0.00 O +ATOM 949 OD2 ASP 60 21.650 51.420 19.090 1.00 0.00 O +ATOM 950 C ASP 60 25.500 53.860 20.720 1.00 0.00 C +ATOM 951 O ASP 60 25.170 54.580 21.670 1.00 0.00 O +ATOM 952 N GLY 61 26.660 53.160 20.670 1.00 0.00 N +ATOM 953 HN GLY 61 26.710 52.800 19.742 1.00 0.00 H +ATOM 954 CA GLY 61 27.930 53.520 21.420 1.00 0.00 C +ATOM 955 HA1 GLY 61 28.766 53.768 20.782 1.00 0.00 H +ATOM 956 HA2 GLY 61 27.790 54.412 22.012 1.00 0.00 H +ATOM 957 C GLY 61 28.390 52.470 22.370 1.00 0.00 C +ATOM 958 O GLY 61 29.500 52.580 22.970 1.00 0.00 O +ATOM 959 N PHE 62 27.560 51.350 22.510 1.00 0.00 N +ATOM 960 HN PHE 62 26.590 51.430 22.290 1.00 0.00 H +ATOM 961 CA PHE 62 28.080 50.110 23.190 1.00 0.00 C +ATOM 962 HA PHE 62 28.762 50.350 23.992 1.00 0.00 H +ATOM 963 CB PHE 62 27.000 49.220 23.820 1.00 0.00 C +ATOM 964 HB1 PHE 62 27.368 48.266 24.258 1.00 0.00 H +ATOM 965 HB2 PHE 62 26.532 49.718 24.696 1.00 0.00 H +ATOM 966 CG PHE 62 25.830 48.900 22.830 1.00 0.00 C +ATOM 967 CD1 PHE 62 25.730 47.670 22.140 1.00 0.00 C +ATOM 968 HD1 PHE 62 26.594 47.036 22.270 1.00 0.00 H +ATOM 969 CE1 PHE 62 24.630 47.410 21.340 1.00 0.00 C +ATOM 970 HE1 PHE 62 24.460 46.434 20.912 1.00 0.00 H +ATOM 971 CZ PHE 62 23.580 48.330 21.210 1.00 0.00 C +ATOM 972 HZ PHE 62 22.768 48.020 20.568 1.00 0.00 H +ATOM 973 CD2 PHE 62 24.830 49.800 22.740 1.00 0.00 C +ATOM 974 HD2 PHE 62 24.850 50.740 23.270 1.00 0.00 H +ATOM 975 CE2 PHE 62 23.770 49.580 21.840 1.00 0.00 C +ATOM 976 HE2 PHE 62 23.098 50.422 21.750 1.00 0.00 H +ATOM 977 C PHE 62 28.720 49.290 22.090 1.00 0.00 C +ATOM 978 O PHE 62 28.650 49.540 20.900 1.00 0.00 O +ATOM 979 N GLY 63 29.420 48.140 22.460 1.00 0.00 N +ATOM 980 HN GLY 63 29.220 47.712 23.338 1.00 0.00 H +ATOM 981 CA GLY 63 29.940 47.330 21.460 1.00 0.00 C +ATOM 982 HA1 GLY 63 29.592 47.560 20.464 1.00 0.00 H +ATOM 983 HA2 GLY 63 31.004 47.518 21.460 1.00 0.00 H +ATOM 984 C GLY 63 29.790 45.920 21.850 1.00 0.00 C +ATOM 985 O GLY 63 29.000 45.670 22.760 1.00 0.00 O +ATOM 986 N PHE 64 30.430 45.040 21.140 1.00 0.00 N +ATOM 987 HN PHE 64 31.026 45.378 20.414 1.00 0.00 H +ATOM 988 CA PHE 64 30.350 43.640 21.440 1.00 0.00 C +ATOM 989 HA PHE 64 30.110 43.430 22.472 1.00 0.00 H +ATOM 990 CB PHE 64 29.410 42.850 20.440 1.00 0.00 C +ATOM 991 HB1 PHE 64 29.760 43.190 19.442 1.00 0.00 H +ATOM 992 HB2 PHE 64 29.560 41.750 20.390 1.00 0.00 H +ATOM 993 CG PHE 64 27.940 43.040 20.700 1.00 0.00 C +ATOM 994 CD1 PHE 64 27.270 42.540 21.820 1.00 0.00 C +ATOM 995 HD1 PHE 64 27.758 41.932 22.568 1.00 0.00 H +ATOM 996 CE1 PHE 64 25.870 42.720 21.940 1.00 0.00 C +ATOM 997 HE1 PHE 64 25.422 42.252 22.806 1.00 0.00 H +ATOM 998 CZ PHE 64 25.150 43.350 20.940 1.00 0.00 C +ATOM 999 HZ PHE 64 24.112 43.630 21.050 1.00 0.00 H +ATOM 1000 CD2 PHE 64 27.250 43.770 19.760 1.00 0.00 C +ATOM 1001 HD2 PHE 64 27.668 44.338 18.942 1.00 0.00 H +ATOM 1002 CE2 PHE 64 25.860 43.910 19.820 1.00 0.00 C +ATOM 1003 HE2 PHE 64 25.430 44.510 19.030 1.00 0.00 H +ATOM 1004 C PHE 64 31.830 43.120 21.300 1.00 0.00 C +ATOM 1005 O PHE 64 32.490 43.650 20.370 1.00 0.00 O +ATOM 1006 N LEU 65 32.240 42.180 22.150 1.00 0.00 N +ATOM 1007 HN LEU 65 31.650 41.990 22.930 1.00 0.00 H +ATOM 1008 CA LEU 65 33.500 41.430 21.920 1.00 0.00 C +ATOM 1009 HA LEU 65 34.242 42.072 21.468 1.00 0.00 H +ATOM 1010 CB LEU 65 34.070 40.870 23.310 1.00 0.00 C +ATOM 1011 HB1 LEU 65 33.440 40.010 23.620 1.00 0.00 H +ATOM 1012 HB2 LEU 65 35.082 40.518 23.020 1.00 0.00 H +ATOM 1013 CG LEU 65 34.070 41.810 24.570 1.00 0.00 C +ATOM 1014 HG LEU 65 33.014 41.970 24.878 1.00 0.00 H +ATOM 1015 CD1 LEU 65 34.770 41.070 25.750 1.00 0.00 C +ATOM 1016 1HD1 LEU 65 34.254 40.096 25.898 1.00 0.00 H +ATOM 1017 2HD1 LEU 65 35.800 40.760 25.470 1.00 0.00 H +ATOM 1018 3HD1 LEU 65 34.640 41.754 26.614 1.00 0.00 H +ATOM 1019 CD2 LEU 65 34.560 43.220 24.180 1.00 0.00 C +ATOM 1020 1HD2 LEU 65 35.604 43.220 23.798 1.00 0.00 H +ATOM 1021 2HD2 LEU 65 33.992 43.728 23.372 1.00 0.00 H +ATOM 1022 3HD2 LEU 65 34.510 43.932 25.032 1.00 0.00 H +ATOM 1023 C LEU 65 33.140 40.260 20.970 1.00 0.00 C +ATOM 1024 O LEU 65 32.200 39.500 21.220 1.00 0.00 O +ATOM 1025 N ARG 66 33.950 40.070 19.910 1.00 0.00 N +ATOM 1026 HN ARG 66 34.728 40.658 19.700 1.00 0.00 H +ATOM 1027 CA ARG 66 33.560 39.080 18.950 1.00 0.00 C +ATOM 1028 HA ARG 66 32.676 38.548 19.272 1.00 0.00 H +ATOM 1029 CB ARG 66 33.270 39.730 17.570 1.00 0.00 C +ATOM 1030 HB1 ARG 66 34.158 40.378 17.410 1.00 0.00 H +ATOM 1031 HB2 ARG 66 33.110 39.042 16.712 1.00 0.00 H +ATOM 1032 CG ARG 66 31.890 40.490 17.610 1.00 0.00 C +ATOM 1033 HG1 ARG 66 31.270 39.900 18.320 1.00 0.00 H +ATOM 1034 HG2 ARG 66 32.160 41.444 18.112 1.00 0.00 H +ATOM 1035 CD ARG 66 31.210 40.810 16.290 1.00 0.00 C +ATOM 1036 HD1 ARG 66 31.700 41.690 15.820 1.00 0.00 H +ATOM 1037 HD2 ARG 66 31.080 39.910 15.650 1.00 0.00 H +ATOM 1038 NE ARG 66 29.840 41.310 16.610 1.00 0.00 N +ATOM 1039 HE ARG 66 29.308 40.768 17.262 1.00 0.00 H +ATOM 1040 CZ ARG 66 29.170 42.330 16.060 1.00 0.00 C +ATOM 1041 NH1 ARG 66 29.650 43.270 15.350 1.00 0.00 N +ATOM 1042 1HH1 ARG 66 30.634 43.320 15.180 1.00 0.00 H +ATOM 1043 2HH1 ARG 66 29.056 43.954 14.928 1.00 0.00 H +ATOM 1044 NH2 ARG 66 27.880 42.410 16.510 1.00 0.00 N +ATOM 1045 1HH2 ARG 66 27.470 41.750 17.140 1.00 0.00 H +ATOM 1046 2HH2 ARG 66 27.208 43.002 16.068 1.00 0.00 H +ATOM 1047 C ARG 66 34.770 38.110 18.750 1.00 0.00 C +ATOM 1048 O ARG 66 35.930 38.570 18.670 1.00 0.00 O +ATOM 1049 N SER 67 34.610 36.720 18.630 1.00 0.00 N +ATOM 1050 HN SER 67 33.658 36.450 18.750 1.00 0.00 H +ATOM 1051 CA SER 67 35.700 35.760 18.390 1.00 0.00 C +ATOM 1052 HA SER 67 36.302 35.840 19.282 1.00 0.00 H +ATOM 1053 CB SER 67 35.380 34.250 18.220 1.00 0.00 C +ATOM 1054 HB1 SER 67 34.710 34.000 17.370 1.00 0.00 H +ATOM 1055 HB2 SER 67 36.342 33.740 18.000 1.00 0.00 H +ATOM 1056 OG SER 67 35.000 33.620 19.450 1.00 0.00 O +ATOM 1057 HG1 SER 67 35.782 33.460 19.982 1.00 0.00 H +ATOM 1058 C SER 67 36.540 36.210 17.270 1.00 0.00 C +ATOM 1059 O SER 67 36.110 36.700 16.240 1.00 0.00 O +ATOM 1060 N ALA 68 37.890 36.010 17.290 1.00 0.00 N +ATOM 1061 HN ALA 68 38.348 35.670 18.108 1.00 0.00 H +ATOM 1062 CA ALA 68 38.680 36.470 16.240 1.00 0.00 C +ATOM 1063 HA ALA 68 38.512 37.524 16.070 1.00 0.00 H +ATOM 1064 CB ALA 68 40.180 36.430 16.670 1.00 0.00 C +ATOM 1065 HB1 ALA 68 40.340 37.100 17.540 1.00 0.00 H +ATOM 1066 HB2 ALA 68 40.410 35.414 17.058 1.00 0.00 H +ATOM 1067 HB3 ALA 68 40.832 36.852 15.876 1.00 0.00 H +ATOM 1068 C ALA 68 38.360 35.880 14.860 1.00 0.00 C +ATOM 1069 O ALA 68 38.350 36.570 13.900 1.00 0.00 O +ATOM 1070 N ASP 69 38.150 34.540 14.740 1.00 0.00 N +ATOM 1071 HN ASP 69 38.240 34.040 15.598 1.00 0.00 H +ATOM 1072 CA ASP 69 37.670 33.880 13.560 1.00 0.00 C +ATOM 1073 HA ASP 69 38.496 33.830 12.866 1.00 0.00 H +ATOM 1074 CB ASP 69 37.440 32.350 13.740 1.00 0.00 C +ATOM 1075 HB1 ASP 69 37.242 31.892 12.746 1.00 0.00 H +ATOM 1076 HB2 ASP 69 38.354 31.858 14.132 1.00 0.00 H +ATOM 1077 CG ASP 69 36.300 31.970 14.630 1.00 0.00 C +ATOM 1078 OD1 ASP 69 36.040 32.790 15.610 1.00 0.00 O +ATOM 1079 OD2 ASP 69 35.680 30.870 14.470 1.00 0.00 O +ATOM 1080 C ASP 69 36.440 34.480 12.820 1.00 0.00 C +ATOM 1081 O ASP 69 36.290 34.390 11.610 1.00 0.00 O +ATOM 1082 N SER 70 35.560 35.200 13.510 1.00 0.00 N +ATOM 1083 HN SER 70 35.810 35.330 14.466 1.00 0.00 H +ATOM 1084 CA SER 70 34.350 35.810 13.020 1.00 0.00 C +ATOM 1085 HA SER 70 33.738 35.038 12.578 1.00 0.00 H +ATOM 1086 CB SER 70 33.450 36.400 14.070 1.00 0.00 C +ATOM 1087 HB1 SER 70 32.478 36.640 13.590 1.00 0.00 H +ATOM 1088 HB2 SER 70 33.152 35.654 14.836 1.00 0.00 H +ATOM 1089 OG SER 70 34.040 37.520 14.670 1.00 0.00 O +ATOM 1090 HG1 SER 70 34.688 37.310 15.348 1.00 0.00 H +ATOM 1091 C SER 70 34.540 36.830 11.880 1.00 0.00 C +ATOM 1092 O SER 70 33.760 36.920 10.970 1.00 0.00 O +ATOM 1093 N SER 71 35.550 37.660 12.090 1.00 0.00 N +ATOM 1094 HN SER 71 36.192 37.450 12.822 1.00 0.00 H +ATOM 1095 CA SER 71 35.830 38.770 11.210 1.00 0.00 C +ATOM 1096 HA SER 71 36.730 39.210 11.610 1.00 0.00 H +ATOM 1097 CB SER 71 36.020 38.380 9.730 1.00 0.00 C +ATOM 1098 HB1 SER 71 35.112 38.150 9.132 1.00 0.00 H +ATOM 1099 HB2 SER 71 36.390 39.282 9.198 1.00 0.00 H +ATOM 1100 OG SER 71 36.950 37.240 9.590 1.00 0.00 O +ATOM 1101 HG1 SER 71 37.768 37.450 10.048 1.00 0.00 H +ATOM 1102 C SER 71 34.800 39.840 11.320 1.00 0.00 C +ATOM 1103 O SER 71 34.430 40.660 10.470 1.00 0.00 O +ATOM 1104 N TYR 72 34.350 39.990 12.520 1.00 0.00 N +ATOM 1105 HN TYR 72 34.702 39.416 13.254 1.00 0.00 H +ATOM 1106 CA TYR 72 33.260 40.910 13.020 1.00 0.00 C +ATOM 1107 HA TYR 72 33.200 40.810 14.094 1.00 0.00 H +ATOM 1108 CB TYR 72 33.450 42.440 12.810 1.00 0.00 C +ATOM 1109 HB1 TYR 72 33.320 42.650 11.728 1.00 0.00 H +ATOM 1110 HB2 TYR 72 32.700 43.040 13.370 1.00 0.00 H +ATOM 1111 CG TYR 72 34.780 42.820 13.280 1.00 0.00 C +ATOM 1112 CD1 TYR 72 34.780 43.440 14.560 1.00 0.00 C +ATOM 1113 HD1 TYR 72 33.870 43.480 15.140 1.00 0.00 H +ATOM 1114 CE1 TYR 72 36.000 43.800 15.150 1.00 0.00 C +ATOM 1115 HE1 TYR 72 36.080 44.040 16.200 1.00 0.00 H +ATOM 1116 CZ TYR 72 37.170 43.720 14.420 1.00 0.00 C +ATOM 1117 OH TYR 72 38.370 44.260 15.050 1.00 0.00 O +ATOM 1118 HH TYR 72 39.198 44.070 14.602 1.00 0.00 H +ATOM 1119 CD2 TYR 72 35.960 42.770 12.540 1.00 0.00 C +ATOM 1120 HD2 TYR 72 35.900 42.388 11.532 1.00 0.00 H +ATOM 1121 CE2 TYR 72 37.190 43.100 13.160 1.00 0.00 C +ATOM 1122 HE2 TYR 72 38.022 43.190 12.478 1.00 0.00 H +ATOM 1123 C TYR 72 31.860 40.590 12.610 1.00 0.00 C +ATOM 1124 O TYR 72 30.910 41.370 12.620 1.00 0.00 O +ATOM 1125 N LEU 73 31.600 39.250 12.330 1.00 0.00 N +ATOM 1126 HN LEU 73 32.358 38.602 12.340 1.00 0.00 H +ATOM 1127 CA LEU 73 30.230 38.800 12.090 1.00 0.00 C +ATOM 1128 HA LEU 73 29.748 39.432 11.358 1.00 0.00 H +ATOM 1129 CB LEU 73 30.200 37.400 11.430 1.00 0.00 C +ATOM 1130 HB1 LEU 73 30.980 37.410 10.640 1.00 0.00 H +ATOM 1131 HB2 LEU 73 30.422 36.646 12.214 1.00 0.00 H +ATOM 1132 CG LEU 73 28.830 36.900 10.850 1.00 0.00 C +ATOM 1133 HG LEU 73 28.018 36.810 11.602 1.00 0.00 H +ATOM 1134 CD1 LEU 73 28.390 37.730 9.600 1.00 0.00 C +ATOM 1135 1HD1 LEU 73 29.310 38.100 9.100 1.00 0.00 H +ATOM 1136 2HD1 LEU 73 27.768 37.088 8.938 1.00 0.00 H +ATOM 1137 3HD1 LEU 73 27.742 38.558 9.960 1.00 0.00 H +ATOM 1138 CD2 LEU 73 29.130 35.420 10.380 1.00 0.00 C +ATOM 1139 1HD2 LEU 73 29.752 35.520 9.466 1.00 0.00 H +ATOM 1140 2HD2 LEU 73 29.622 34.736 11.104 1.00 0.00 H +ATOM 1141 3HD2 LEU 73 28.268 34.818 10.020 1.00 0.00 H +ATOM 1142 C LEU 73 29.480 38.690 13.460 1.00 0.00 C +ATOM 1143 O LEU 73 29.880 38.020 14.410 1.00 0.00 O +ATOM 1144 N ALA 74 28.340 39.450 13.620 1.00 0.00 N +ATOM 1145 HN ALA 74 28.062 40.128 12.942 1.00 0.00 H +ATOM 1146 CA ALA 74 27.460 39.270 14.750 1.00 0.00 C +ATOM 1147 HA ALA 74 28.100 39.310 15.620 1.00 0.00 H +ATOM 1148 CB ALA 74 26.390 40.360 14.720 1.00 0.00 C +ATOM 1149 HB1 ALA 74 26.818 41.306 14.322 1.00 0.00 H +ATOM 1150 HB2 ALA 74 25.520 40.060 14.100 1.00 0.00 H +ATOM 1151 HB3 ALA 74 25.898 40.420 15.714 1.00 0.00 H +ATOM 1152 C ALA 74 26.840 37.880 14.870 1.00 0.00 C +ATOM 1153 O ALA 74 26.440 37.310 13.850 1.00 0.00 O +ATOM 1154 N GLY 75 26.590 37.460 16.140 1.00 0.00 N +ATOM 1155 HN GLY 75 26.830 37.978 16.958 1.00 0.00 H +ATOM 1156 CA GLY 75 25.940 36.250 16.410 1.00 0.00 C +ATOM 1157 HA1 GLY 75 25.120 36.170 15.710 1.00 0.00 H +ATOM 1158 HA2 GLY 75 26.630 35.420 16.460 1.00 0.00 H +ATOM 1159 C GLY 75 25.370 36.330 17.720 1.00 0.00 C +ATOM 1160 O GLY 75 25.670 37.300 18.390 1.00 0.00 O +ATOM 1161 N PRO 76 24.660 35.320 18.200 1.00 0.00 N +ATOM 1162 CD PRO 76 24.470 34.060 17.490 1.00 0.00 C +ATOM 1163 HD1 PRO 76 25.392 33.658 17.018 1.00 0.00 H +ATOM 1164 HD2 PRO 76 23.694 34.180 16.704 1.00 0.00 H +ATOM 1165 CA PRO 76 24.210 35.390 19.560 1.00 0.00 C +ATOM 1166 HA PRO 76 23.588 36.264 19.680 1.00 0.00 H +ATOM 1167 CB PRO 76 23.410 34.060 19.600 1.00 0.00 C +ATOM 1168 HB1 PRO 76 23.200 33.640 20.608 1.00 0.00 H +ATOM 1169 HB2 PRO 76 22.452 34.410 19.160 1.00 0.00 H +ATOM 1170 CG PRO 76 23.960 33.120 18.600 1.00 0.00 C +ATOM 1171 HG1 PRO 76 24.886 32.672 19.018 1.00 0.00 H +ATOM 1172 HG2 PRO 76 23.240 32.350 18.250 1.00 0.00 H +ATOM 1173 C PRO 76 25.170 35.280 20.710 1.00 0.00 C +ATOM 1174 O PRO 76 24.780 35.770 21.800 1.00 0.00 O +ATOM 1175 N ASP 77 26.410 34.710 20.640 1.00 0.00 N +ATOM 1176 HN ASP 77 26.802 34.338 19.804 1.00 0.00 H +ATOM 1177 CA ASP 77 27.320 34.400 21.720 1.00 0.00 C +ATOM 1178 HA ASP 77 26.752 34.400 22.638 1.00 0.00 H +ATOM 1179 CB ASP 77 28.000 32.980 21.350 1.00 0.00 C +ATOM 1180 HB1 ASP 77 28.652 32.690 22.202 1.00 0.00 H +ATOM 1181 HB2 ASP 77 27.300 32.160 21.080 1.00 0.00 H +ATOM 1182 CG ASP 77 28.900 32.960 20.150 1.00 0.00 C +ATOM 1183 OD1 ASP 77 28.580 33.630 19.100 1.00 0.00 O +ATOM 1184 OD2 ASP 77 29.990 32.290 20.180 1.00 0.00 O +ATOM 1185 C ASP 77 28.270 35.520 21.910 1.00 0.00 C +ATOM 1186 O ASP 77 29.230 35.420 22.670 1.00 0.00 O +ATOM 1187 N ASP 78 28.110 36.610 21.170 1.00 0.00 N +ATOM 1188 HN ASP 78 27.436 36.570 20.436 1.00 0.00 H +ATOM 1189 CA ASP 78 28.860 37.850 21.290 1.00 0.00 C +ATOM 1190 HA ASP 78 29.868 37.640 20.960 1.00 0.00 H +ATOM 1191 CB ASP 78 28.170 38.800 20.240 1.00 0.00 C +ATOM 1192 HB1 ASP 78 27.086 38.580 20.340 1.00 0.00 H +ATOM 1193 HB2 ASP 78 28.330 39.870 20.490 1.00 0.00 H +ATOM 1194 CG ASP 78 28.590 38.700 18.800 1.00 0.00 C +ATOM 1195 OD1 ASP 78 29.350 37.720 18.450 1.00 0.00 O +ATOM 1196 OD2 ASP 78 28.310 39.610 18.000 1.00 0.00 O +ATOM 1197 C ASP 78 28.720 38.430 22.730 1.00 0.00 C +ATOM 1198 O ASP 78 27.660 38.220 23.380 1.00 0.00 O +ATOM 1199 N ILE 79 29.770 39.100 23.220 1.00 0.00 N +ATOM 1200 HN ILE 79 30.628 39.070 22.712 1.00 0.00 H +ATOM 1201 CA ILE 79 29.780 39.620 24.590 1.00 0.00 C +ATOM 1202 HA ILE 79 28.992 39.250 25.228 1.00 0.00 H +ATOM 1203 CB ILE 79 30.980 39.180 25.260 1.00 0.00 C +ATOM 1204 HB ILE 79 31.902 39.592 24.798 1.00 0.00 H +ATOM 1205 CG2 ILE 79 30.950 39.690 26.770 1.00 0.00 C +ATOM 1206 1HG2 ILE 79 31.794 39.292 27.376 1.00 0.00 H +ATOM 1207 2HG2 ILE 79 30.950 40.794 26.880 1.00 0.00 H +ATOM 1208 3HG2 ILE 79 30.008 39.370 27.262 1.00 0.00 H +ATOM 1209 CG1 ILE 79 31.080 37.620 25.260 1.00 0.00 C +ATOM 1210 1HG1 ILE 79 30.528 37.188 26.122 1.00 0.00 H +ATOM 1211 2HG1 ILE 79 30.718 37.126 24.334 1.00 0.00 H +ATOM 1212 CD ILE 79 32.550 37.220 25.300 1.00 0.00 C +ATOM 1213 HD1 ILE 79 32.710 36.130 25.150 1.00 0.00 H +ATOM 1214 HD2 ILE 79 33.090 37.710 24.460 1.00 0.00 H +ATOM 1215 HD3 ILE 79 33.032 37.632 26.212 1.00 0.00 H +ATOM 1216 C ILE 79 29.480 41.110 24.640 1.00 0.00 C +ATOM 1217 O ILE 79 30.280 41.890 24.150 1.00 0.00 O +ATOM 1218 N TYR 80 28.320 41.550 25.240 1.00 0.00 N +ATOM 1219 HN TYR 80 27.780 40.892 25.760 1.00 0.00 H +ATOM 1220 CA TYR 80 28.040 42.940 25.450 1.00 0.00 C +ATOM 1221 HA TYR 80 28.220 43.498 24.542 1.00 0.00 H +ATOM 1222 CB TYR 80 26.540 43.120 25.890 1.00 0.00 C +ATOM 1223 HB1 TYR 80 25.928 42.808 25.018 1.00 0.00 H +ATOM 1224 HB2 TYR 80 26.470 42.452 26.776 1.00 0.00 H +ATOM 1225 CG TYR 80 26.040 44.560 26.320 1.00 0.00 C +ATOM 1226 CD1 TYR 80 25.940 45.640 25.460 1.00 0.00 C +ATOM 1227 HD1 TYR 80 26.080 45.440 24.408 1.00 0.00 H +ATOM 1228 CE1 TYR 80 25.400 46.870 25.950 1.00 0.00 C +ATOM 1229 HE1 TYR 80 25.270 47.694 25.266 1.00 0.00 H +ATOM 1230 CZ TYR 80 25.230 47.110 27.270 1.00 0.00 C +ATOM 1231 OH TYR 80 24.820 48.300 27.800 1.00 0.00 O +ATOM 1232 HH TYR 80 24.690 48.888 27.052 1.00 0.00 H +ATOM 1233 CD2 TYR 80 25.660 44.710 27.710 1.00 0.00 C +ATOM 1234 HD2 TYR 80 25.590 43.890 28.410 1.00 0.00 H +ATOM 1235 CE2 TYR 80 25.350 46.020 28.190 1.00 0.00 C +ATOM 1236 HE2 TYR 80 25.002 46.210 29.196 1.00 0.00 H +ATOM 1237 C TYR 80 29.050 43.720 26.310 1.00 0.00 C +ATOM 1238 O TYR 80 29.340 43.320 27.470 1.00 0.00 O +ATOM 1239 N VAL 81 29.520 44.820 25.880 1.00 0.00 N +ATOM 1240 HN VAL 81 29.240 45.050 24.950 1.00 0.00 H +ATOM 1241 CA VAL 81 30.330 45.800 26.700 1.00 0.00 C +ATOM 1242 HA VAL 81 30.470 45.480 27.722 1.00 0.00 H +ATOM 1243 CB VAL 81 31.790 45.900 26.260 1.00 0.00 C +ATOM 1244 HB VAL 81 32.150 44.850 26.310 1.00 0.00 H +ATOM 1245 CG1 VAL 81 31.910 46.410 24.800 1.00 0.00 C +ATOM 1246 1HG1 VAL 81 31.132 47.138 24.482 1.00 0.00 H +ATOM 1247 2HG1 VAL 81 32.956 46.672 24.538 1.00 0.00 H +ATOM 1248 3HG1 VAL 81 31.648 45.502 24.216 1.00 0.00 H +ATOM 1249 CG2 VAL 81 32.690 46.690 27.220 1.00 0.00 C +ATOM 1250 1HG2 VAL 81 33.750 46.430 27.010 1.00 0.00 H +ATOM 1251 2HG2 VAL 81 32.570 47.782 27.050 1.00 0.00 H +ATOM 1252 3HG2 VAL 81 32.370 46.360 28.232 1.00 0.00 H +ATOM 1253 C VAL 81 29.590 47.120 26.740 1.00 0.00 C +ATOM 1254 O VAL 81 29.140 47.680 25.740 1.00 0.00 O +ATOM 1255 N SER 82 29.420 47.700 27.940 1.00 0.00 N +ATOM 1256 HN SER 82 29.748 47.322 28.804 1.00 0.00 H +ATOM 1257 CA SER 82 28.630 48.890 28.090 1.00 0.00 C +ATOM 1258 HA SER 82 27.790 48.870 27.410 1.00 0.00 H +ATOM 1259 CB SER 82 28.010 48.990 29.500 1.00 0.00 C +ATOM 1260 HB1 SER 82 27.196 49.744 29.530 1.00 0.00 H +ATOM 1261 HB2 SER 82 27.540 47.990 29.620 1.00 0.00 H +ATOM 1262 OG SER 82 29.120 49.160 30.420 1.00 0.00 O +ATOM 1263 HG1 SER 82 28.770 49.060 31.308 1.00 0.00 H +ATOM 1264 C SER 82 29.450 50.160 27.730 1.00 0.00 C +ATOM 1265 O SER 82 30.670 50.090 27.620 1.00 0.00 O +ATOM 1266 N PRO 83 28.720 51.320 27.640 1.00 0.00 N +ATOM 1267 CD PRO 83 27.320 51.280 27.130 1.00 0.00 C +ATOM 1268 HD1 PRO 83 26.628 51.180 27.992 1.00 0.00 H +ATOM 1269 HD2 PRO 83 27.090 50.640 26.250 1.00 0.00 H +ATOM 1270 CA PRO 83 29.340 52.600 27.200 1.00 0.00 C +ATOM 1271 HA PRO 83 29.942 52.350 26.338 1.00 0.00 H +ATOM 1272 CB PRO 83 28.190 53.560 27.010 1.00 0.00 C +ATOM 1273 HB1 PRO 83 27.778 54.022 27.932 1.00 0.00 H +ATOM 1274 HB2 PRO 83 28.410 54.436 26.362 1.00 0.00 H +ATOM 1275 CG PRO 83 27.120 52.660 26.420 1.00 0.00 C +ATOM 1276 HG1 PRO 83 26.064 52.922 26.642 1.00 0.00 H +ATOM 1277 HG2 PRO 83 27.318 52.510 25.336 1.00 0.00 H +ATOM 1278 C PRO 83 30.290 53.100 28.240 1.00 0.00 C +ATOM 1279 O PRO 83 31.300 53.670 27.800 1.00 0.00 O +ATOM 1280 N SER 84 29.920 52.920 29.560 1.00 0.00 N +ATOM 1281 HN SER 84 29.058 52.520 29.860 1.00 0.00 H +ATOM 1282 CA SER 84 30.630 53.280 30.730 1.00 0.00 C +ATOM 1283 HA SER 84 30.870 54.330 30.650 1.00 0.00 H +ATOM 1284 CB SER 84 29.850 53.080 31.960 1.00 0.00 C +ATOM 1285 HB1 SER 84 30.480 53.440 32.800 1.00 0.00 H +ATOM 1286 HB2 SER 84 28.944 53.718 31.870 1.00 0.00 H +ATOM 1287 OG SER 84 29.360 51.770 32.080 1.00 0.00 O +ATOM 1288 HG1 SER 84 29.638 51.522 32.964 1.00 0.00 H +ATOM 1289 C SER 84 31.940 52.600 30.690 1.00 0.00 C +ATOM 1290 O SER 84 32.960 53.260 30.970 1.00 0.00 O +ATOM 1291 N GLN 85 31.980 51.300 30.280 1.00 0.00 N +ATOM 1292 HN GLN 85 31.192 50.692 30.320 1.00 0.00 H +ATOM 1293 CA GLN 85 33.190 50.550 30.230 1.00 0.00 C +ATOM 1294 HA GLN 85 33.778 50.670 31.128 1.00 0.00 H +ATOM 1295 CB GLN 85 32.990 48.990 30.040 1.00 0.00 C +ATOM 1296 HB1 GLN 85 32.350 48.760 29.160 1.00 0.00 H +ATOM 1297 HB2 GLN 85 33.980 48.510 29.880 1.00 0.00 H +ATOM 1298 CG GLN 85 32.270 48.380 31.350 1.00 0.00 C +ATOM 1299 HG1 GLN 85 32.934 48.470 32.236 1.00 0.00 H +ATOM 1300 HG2 GLN 85 31.468 49.132 31.510 1.00 0.00 H +ATOM 1301 CD GLN 85 31.880 46.960 31.230 1.00 0.00 C +ATOM 1302 OE1 GLN 85 32.750 46.080 31.230 1.00 0.00 O +ATOM 1303 NE2 GLN 85 30.560 46.640 31.250 1.00 0.00 N +ATOM 1304 1HE2 GLN 85 29.810 47.300 31.280 1.00 0.00 H +ATOM 1305 2HE2 GLN 85 30.370 45.658 31.230 1.00 0.00 H +ATOM 1306 C GLN 85 34.130 51.090 29.050 1.00 0.00 C +ATOM 1307 O GLN 85 35.340 51.240 29.280 1.00 0.00 O +ATOM 1308 N ILE 86 33.570 51.340 27.810 1.00 0.00 N +ATOM 1309 HN ILE 86 32.600 51.180 27.640 1.00 0.00 H +ATOM 1310 CA ILE 86 34.220 51.980 26.570 1.00 0.00 C +ATOM 1311 HA ILE 86 34.990 51.310 26.220 1.00 0.00 H +ATOM 1312 CB ILE 86 33.270 52.300 25.370 1.00 0.00 C +ATOM 1313 HB ILE 86 32.428 52.902 25.772 1.00 0.00 H +ATOM 1314 CG2 ILE 86 33.930 53.120 24.150 1.00 0.00 C +ATOM 1315 1HG2 ILE 86 34.790 52.590 23.690 1.00 0.00 H +ATOM 1316 2HG2 ILE 86 33.136 53.310 23.396 1.00 0.00 H +ATOM 1317 3HG2 ILE 86 34.428 54.074 24.428 1.00 0.00 H +ATOM 1318 CG1 ILE 86 32.550 51.030 24.750 1.00 0.00 C +ATOM 1319 1HG1 ILE 86 31.492 50.960 25.080 1.00 0.00 H +ATOM 1320 2HG1 ILE 86 32.480 51.230 23.660 1.00 0.00 H +ATOM 1321 CD ILE 86 33.280 49.610 24.780 1.00 0.00 C +ATOM 1322 HD1 ILE 86 33.390 49.330 25.850 1.00 0.00 H +ATOM 1323 HD2 ILE 86 32.662 48.942 24.142 1.00 0.00 H +ATOM 1324 HD3 ILE 86 34.220 49.830 24.230 1.00 0.00 H +ATOM 1325 C ILE 86 34.910 53.260 26.930 1.00 0.00 C +ATOM 1326 O ILE 86 36.050 53.500 26.530 1.00 0.00 O +ATOM 1327 N ARG 87 34.220 54.130 27.680 1.00 0.00 N +ATOM 1328 HN ARG 87 33.224 54.110 27.730 1.00 0.00 H +ATOM 1329 CA ARG 87 34.870 55.340 28.180 1.00 0.00 C +ATOM 1330 HA ARG 87 35.478 55.758 27.392 1.00 0.00 H +ATOM 1331 CB ARG 87 33.820 56.400 28.480 1.00 0.00 C +ATOM 1332 HB1 ARG 87 34.360 57.338 28.730 1.00 0.00 H +ATOM 1333 HB2 ARG 87 33.150 56.510 27.600 1.00 0.00 H +ATOM 1334 CG ARG 87 32.690 56.080 29.540 1.00 0.00 C +ATOM 1335 HG1 ARG 87 32.302 55.076 29.262 1.00 0.00 H +ATOM 1336 HG2 ARG 87 33.170 56.140 30.540 1.00 0.00 H +ATOM 1337 CD ARG 87 31.380 56.960 29.410 1.00 0.00 C +ATOM 1338 HD1 ARG 87 30.810 56.810 30.352 1.00 0.00 H +ATOM 1339 HD2 ARG 87 31.620 58.038 29.280 1.00 0.00 H +ATOM 1340 NE ARG 87 30.530 56.510 28.240 1.00 0.00 N +ATOM 1341 HE ARG 87 30.740 55.790 27.580 1.00 0.00 H +ATOM 1342 CZ ARG 87 29.480 57.160 27.720 1.00 0.00 C +ATOM 1343 NH1 ARG 87 28.900 58.070 28.370 1.00 0.00 N +ATOM 1344 1HH1 ARG 87 29.010 58.100 29.364 1.00 0.00 H +ATOM 1345 2HH1 ARG 87 28.026 58.342 27.968 1.00 0.00 H +ATOM 1346 NH2 ARG 87 29.060 57.030 26.480 1.00 0.00 N +ATOM 1347 1HH2 ARG 87 29.618 56.592 25.774 1.00 0.00 H +ATOM 1348 2HH2 ARG 87 28.378 57.612 26.038 1.00 0.00 H +ATOM 1349 C ARG 87 35.900 55.280 29.280 1.00 0.00 C +ATOM 1350 O ARG 87 36.960 55.850 29.250 1.00 0.00 O +ATOM 1351 N ARG 88 35.630 54.390 30.310 1.00 0.00 N +ATOM 1352 HN ARG 88 34.762 53.922 30.160 1.00 0.00 H +ATOM 1353 CA ARG 88 36.460 54.160 31.470 1.00 0.00 C +ATOM 1354 HA ARG 88 36.400 55.032 32.104 1.00 0.00 H +ATOM 1355 CB ARG 88 35.820 53.050 32.300 1.00 0.00 C +ATOM 1356 HB1 ARG 88 34.800 53.330 32.640 1.00 0.00 H +ATOM 1357 HB2 ARG 88 35.820 52.098 31.728 1.00 0.00 H +ATOM 1358 CG ARG 88 36.590 52.630 33.610 1.00 0.00 C +ATOM 1359 HG1 ARG 88 36.120 51.682 33.950 1.00 0.00 H +ATOM 1360 HG2 ARG 88 37.634 52.460 33.268 1.00 0.00 H +ATOM 1361 CD ARG 88 36.490 53.600 34.740 1.00 0.00 C +ATOM 1362 HD1 ARG 88 35.466 53.962 34.970 1.00 0.00 H +ATOM 1363 HD2 ARG 88 37.000 53.240 35.660 1.00 0.00 H +ATOM 1364 NE ARG 88 37.300 54.810 34.310 1.00 0.00 N +ATOM 1365 HE ARG 88 36.732 55.606 34.100 1.00 0.00 H +ATOM 1366 CZ ARG 88 38.580 55.120 34.590 1.00 0.00 C +ATOM 1367 NH1 ARG 88 39.450 54.320 35.060 1.00 0.00 N +ATOM 1368 1HH1 ARG 88 39.280 53.346 35.210 1.00 0.00 H +ATOM 1369 2HH1 ARG 88 40.394 54.642 34.980 1.00 0.00 H +ATOM 1370 NH2 ARG 88 38.930 56.260 34.110 1.00 0.00 N +ATOM 1371 1HH2 ARG 88 38.188 56.930 34.090 1.00 0.00 H +ATOM 1372 2HH2 ARG 88 39.828 56.630 34.350 1.00 0.00 H +ATOM 1373 C ARG 88 37.890 53.740 31.060 1.00 0.00 C +ATOM 1374 O ARG 88 38.900 54.250 31.510 1.00 0.00 O +ATOM 1375 N PHE 89 37.980 52.810 30.090 1.00 0.00 N +ATOM 1376 HN PHE 89 37.140 52.400 29.740 1.00 0.00 H +ATOM 1377 CA PHE 89 39.250 52.110 29.730 1.00 0.00 C +ATOM 1378 HA PHE 89 40.060 52.290 30.420 1.00 0.00 H +ATOM 1379 CB PHE 89 38.890 50.540 29.730 1.00 0.00 C +ATOM 1380 HB1 PHE 89 38.084 50.520 28.964 1.00 0.00 H +ATOM 1381 HB2 PHE 89 39.718 49.852 29.450 1.00 0.00 H +ATOM 1382 CG PHE 89 38.550 50.160 31.160 1.00 0.00 C +ATOM 1383 CD1 PHE 89 39.570 50.120 32.170 1.00 0.00 C +ATOM 1384 HD1 PHE 89 40.576 50.428 31.922 1.00 0.00 H +ATOM 1385 CE1 PHE 89 39.260 49.670 33.470 1.00 0.00 C +ATOM 1386 HE1 PHE 89 39.998 49.480 34.236 1.00 0.00 H +ATOM 1387 CZ PHE 89 37.930 49.200 33.790 1.00 0.00 C +ATOM 1388 HZ PHE 89 37.678 48.970 34.814 1.00 0.00 H +ATOM 1389 CD2 PHE 89 37.310 49.640 31.460 1.00 0.00 C +ATOM 1390 HD2 PHE 89 36.594 49.710 30.654 1.00 0.00 H +ATOM 1391 CE2 PHE 89 36.990 49.290 32.760 1.00 0.00 C +ATOM 1392 HE2 PHE 89 35.926 49.200 32.920 1.00 0.00 H +ATOM 1393 C PHE 89 39.790 52.560 28.420 1.00 0.00 C +ATOM 1394 O PHE 89 40.870 52.150 27.960 1.00 0.00 O +ATOM 1395 N ASN 90 39.070 53.530 27.840 1.00 0.00 N +ATOM 1396 HN ASN 90 38.222 53.690 28.340 1.00 0.00 H +ATOM 1397 CA ASN 90 39.330 54.310 26.600 1.00 0.00 C +ATOM 1398 HA ASN 90 38.480 54.920 26.330 1.00 0.00 H +ATOM 1399 CB ASN 90 40.680 55.160 26.740 1.00 0.00 C +ATOM 1400 HB1 ASN 90 40.730 55.420 27.820 1.00 0.00 H +ATOM 1401 HB2 ASN 90 41.596 54.562 26.540 1.00 0.00 H +ATOM 1402 CG ASN 90 40.560 56.360 25.860 1.00 0.00 C +ATOM 1403 OD1 ASN 90 39.560 56.500 25.150 1.00 0.00 O +ATOM 1404 ND2 ASN 90 41.520 57.340 25.920 1.00 0.00 N +ATOM 1405 1HD2 ASN 90 42.378 57.060 26.350 1.00 0.00 H +ATOM 1406 2HD2 ASN 90 41.410 58.090 25.270 1.00 0.00 H +ATOM 1407 C ASN 90 39.450 53.370 25.350 1.00 0.00 C +ATOM 1408 O ASN 90 40.450 53.340 24.620 1.00 0.00 O +ATOM 1409 N LEU 91 38.460 52.470 25.150 1.00 0.00 N +ATOM 1410 HN LEU 91 37.622 52.480 25.690 1.00 0.00 H +ATOM 1411 CA LEU 91 38.580 51.340 24.270 1.00 0.00 C +ATOM 1412 HA LEU 91 39.614 51.028 24.250 1.00 0.00 H +ATOM 1413 CB LEU 91 37.600 50.210 24.610 1.00 0.00 C +ATOM 1414 HB1 LEU 91 36.534 50.518 24.560 1.00 0.00 H +ATOM 1415 HB2 LEU 91 37.760 49.408 23.858 1.00 0.00 H +ATOM 1416 CG LEU 91 37.880 49.680 25.940 1.00 0.00 C +ATOM 1417 HG LEU 91 37.890 50.518 26.668 1.00 0.00 H +ATOM 1418 CD1 LEU 91 36.700 48.770 26.410 1.00 0.00 C +ATOM 1419 1HD1 LEU 91 36.882 48.338 27.416 1.00 0.00 H +ATOM 1420 2HD1 LEU 91 35.792 49.398 26.540 1.00 0.00 H +ATOM 1421 3HD1 LEU 91 36.570 48.030 25.590 1.00 0.00 H +ATOM 1422 CD2 LEU 91 39.260 48.960 25.930 1.00 0.00 C +ATOM 1423 1HD2 LEU 91 40.130 49.650 25.900 1.00 0.00 H +ATOM 1424 2HD2 LEU 91 39.380 48.478 26.924 1.00 0.00 H +ATOM 1425 3HD2 LEU 91 39.350 48.322 25.024 1.00 0.00 H +ATOM 1426 C LEU 91 38.200 51.720 22.790 1.00 0.00 C +ATOM 1427 O LEU 91 37.130 52.340 22.540 1.00 0.00 O +ATOM 1428 N ARG 92 39.020 51.260 21.810 1.00 0.00 N +ATOM 1429 HN ARG 92 39.900 50.900 22.110 1.00 0.00 H +ATOM 1430 CA ARG 92 38.850 51.600 20.390 1.00 0.00 C +ATOM 1431 HA ARG 92 38.220 52.450 20.170 1.00 0.00 H +ATOM 1432 CB ARG 92 40.260 51.900 19.820 1.00 0.00 C +ATOM 1433 HB1 ARG 92 40.772 50.936 20.030 1.00 0.00 H +ATOM 1434 HB2 ARG 92 40.290 51.960 18.710 1.00 0.00 H +ATOM 1435 CG ARG 92 41.140 53.010 20.570 1.00 0.00 C +ATOM 1436 HG1 ARG 92 40.978 53.060 21.668 1.00 0.00 H +ATOM 1437 HG2 ARG 92 42.222 52.842 20.382 1.00 0.00 H +ATOM 1438 CD ARG 92 40.940 54.460 20.070 1.00 0.00 C +ATOM 1439 HD1 ARG 92 41.648 55.108 20.628 1.00 0.00 H +ATOM 1440 HD2 ARG 92 41.228 54.500 18.998 1.00 0.00 H +ATOM 1441 NE ARG 92 39.470 54.880 20.310 1.00 0.00 N +ATOM 1442 HE ARG 92 38.812 54.730 19.572 1.00 0.00 H +ATOM 1443 CZ ARG 92 38.900 55.280 21.440 1.00 0.00 C +ATOM 1444 NH1 ARG 92 39.580 55.480 22.510 1.00 0.00 N +ATOM 1445 1HH1 ARG 92 40.578 55.410 22.510 1.00 0.00 H +ATOM 1446 2HH1 ARG 92 39.072 55.680 23.348 1.00 0.00 H +ATOM 1447 NH2 ARG 92 37.640 55.350 21.390 1.00 0.00 N +ATOM 1448 1HH2 ARG 92 37.110 55.040 20.600 1.00 0.00 H +ATOM 1449 2HH2 ARG 92 37.150 55.310 22.260 1.00 0.00 H +ATOM 1450 C ARG 92 38.340 50.270 19.760 1.00 0.00 C +ATOM 1451 O ARG 92 38.270 49.230 20.330 1.00 0.00 O +ATOM 1452 N THR 93 37.910 50.430 18.540 1.00 0.00 N +ATOM 1453 HN THR 93 37.830 51.364 18.202 1.00 0.00 H +ATOM 1454 CA THR 93 37.590 49.330 17.540 1.00 0.00 C +ATOM 1455 HA THR 93 36.872 48.672 18.008 1.00 0.00 H +ATOM 1456 CB THR 93 36.950 49.810 16.260 1.00 0.00 C +ATOM 1457 HB THR 93 36.760 48.974 15.554 1.00 0.00 H +ATOM 1458 OG1 THR 93 37.580 50.840 15.650 1.00 0.00 O +ATOM 1459 HG1 THR 93 38.302 50.444 15.156 1.00 0.00 H +ATOM 1460 CG2 THR 93 35.530 50.370 16.650 1.00 0.00 C +ATOM 1461 1HG2 THR 93 34.822 50.390 15.794 1.00 0.00 H +ATOM 1462 2HG2 THR 93 35.122 49.762 17.486 1.00 0.00 H +ATOM 1463 3HG2 THR 93 35.670 51.400 17.040 1.00 0.00 H +ATOM 1464 C THR 93 38.880 48.540 17.240 1.00 0.00 C +ATOM 1465 O THR 93 39.970 49.150 16.970 1.00 0.00 O +ATOM 1466 N GLY 94 38.790 47.190 17.360 1.00 0.00 N +ATOM 1467 HN GLY 94 37.928 46.708 17.490 1.00 0.00 H +ATOM 1468 CA GLY 94 39.980 46.260 17.200 1.00 0.00 C +ATOM 1469 HA1 GLY 94 39.680 45.230 17.080 1.00 0.00 H +ATOM 1470 HA2 GLY 94 40.750 46.630 16.540 1.00 0.00 H +ATOM 1471 C GLY 94 40.780 46.080 18.520 1.00 0.00 C +ATOM 1472 O GLY 94 41.900 45.540 18.420 1.00 0.00 O +ATOM 1473 N ASP 95 40.270 46.380 19.730 1.00 0.00 N +ATOM 1474 HN ASP 95 39.454 46.948 19.810 1.00 0.00 H +ATOM 1475 CA ASP 95 40.890 46.100 20.970 1.00 0.00 C +ATOM 1476 HA ASP 95 41.956 46.130 20.800 1.00 0.00 H +ATOM 1477 CB ASP 95 40.560 47.010 22.130 1.00 0.00 C +ATOM 1478 HB1 ASP 95 39.474 47.160 22.302 1.00 0.00 H +ATOM 1479 HB2 ASP 95 41.190 46.750 23.008 1.00 0.00 H +ATOM 1480 CG ASP 95 41.230 48.320 21.850 1.00 0.00 C +ATOM 1481 OD1 ASP 95 42.130 48.330 20.990 1.00 0.00 O +ATOM 1482 OD2 ASP 95 40.900 49.320 22.520 1.00 0.00 O +ATOM 1483 C ASP 95 40.630 44.630 21.390 1.00 0.00 C +ATOM 1484 O ASP 95 39.480 44.140 21.340 1.00 0.00 O +ATOM 1485 N THR 96 41.640 43.880 21.770 1.00 0.00 N +ATOM 1486 HN THR 96 42.598 44.160 21.760 1.00 0.00 H +ATOM 1487 CA THR 96 41.330 42.550 22.360 1.00 0.00 C +ATOM 1488 HA THR 96 40.360 42.310 21.950 1.00 0.00 H +ATOM 1489 CB THR 96 42.240 41.400 22.110 1.00 0.00 C +ATOM 1490 HB THR 96 41.902 40.494 22.658 1.00 0.00 H +ATOM 1491 OG1 THR 96 43.580 41.780 22.450 1.00 0.00 O +ATOM 1492 HG1 THR 96 43.550 41.650 23.400 1.00 0.00 H +ATOM 1493 CG2 THR 96 42.230 41.098 20.600 1.00 0.00 C +ATOM 1494 1HG2 THR 96 42.502 42.028 20.056 1.00 0.00 H +ATOM 1495 2HG2 THR 96 42.958 40.312 20.310 1.00 0.00 H +ATOM 1496 3HG2 THR 96 41.226 40.752 20.272 1.00 0.00 H +ATOM 1497 C THR 96 41.220 42.570 23.870 1.00 0.00 C +ATOM 1498 O THR 96 41.960 43.150 24.660 1.00 0.00 O +ATOM 1499 N ILE 97 40.100 42.000 24.410 1.00 0.00 N +ATOM 1500 HN ILE 97 39.590 41.410 23.790 1.00 0.00 H +ATOM 1501 CA ILE 97 39.490 42.190 25.770 1.00 0.00 C +ATOM 1502 HA ILE 97 40.100 42.780 26.440 1.00 0.00 H +ATOM 1503 CB ILE 97 38.210 43.020 25.650 1.00 0.00 C +ATOM 1504 HB ILE 97 37.418 42.490 25.080 1.00 0.00 H +ATOM 1505 CG2 ILE 97 37.680 43.340 27.060 1.00 0.00 C +ATOM 1506 1HG2 ILE 97 36.698 43.860 27.040 1.00 0.00 H +ATOM 1507 2HG2 ILE 97 37.540 42.480 27.750 1.00 0.00 H +ATOM 1508 3HG2 ILE 97 38.370 44.060 27.550 1.00 0.00 H +ATOM 1509 CG1 ILE 97 38.470 44.410 24.850 1.00 0.00 C +ATOM 1510 1HG1 ILE 97 39.498 44.580 25.238 1.00 0.00 H +ATOM 1511 2HG1 ILE 97 38.600 44.210 23.764 1.00 0.00 H +ATOM 1512 CD ILE 97 37.570 45.560 25.080 1.00 0.00 C +ATOM 1513 HD1 ILE 97 36.540 45.190 25.270 1.00 0.00 H +ATOM 1514 HD2 ILE 97 37.892 46.204 25.926 1.00 0.00 H +ATOM 1515 HD3 ILE 97 37.460 46.230 24.200 1.00 0.00 H +ATOM 1516 C ILE 97 39.260 40.800 26.470 1.00 0.00 C +ATOM 1517 O ILE 97 38.590 40.000 25.950 1.00 0.00 O +ATOM 1518 N SER 98 39.850 40.540 27.690 1.00 0.00 N +ATOM 1519 HN SER 98 40.660 41.050 27.970 1.00 0.00 H +ATOM 1520 CA SER 98 39.670 39.270 28.380 1.00 0.00 C +ATOM 1521 HA SER 98 38.830 38.800 27.890 1.00 0.00 H +ATOM 1522 CB SER 98 40.900 38.390 28.530 1.00 0.00 C +ATOM 1523 HB1 SER 98 41.700 39.080 28.870 1.00 0.00 H +ATOM 1524 HB2 SER 98 40.730 37.428 29.060 1.00 0.00 H +ATOM 1525 OG SER 98 41.360 38.070 27.210 1.00 0.00 O +ATOM 1526 HG1 SER 98 40.920 37.250 26.970 1.00 0.00 H +ATOM 1527 C SER 98 39.130 39.650 29.760 1.00 0.00 C +ATOM 1528 O SER 98 39.870 40.220 30.560 1.00 0.00 O +ATOM 1529 N GLY 99 37.830 39.320 30.060 1.00 0.00 N +ATOM 1530 HN GLY 99 37.262 38.762 29.462 1.00 0.00 H +ATOM 1531 CA GLY 99 37.250 39.720 31.410 1.00 0.00 C +ATOM 1532 HA1 GLY 99 38.048 39.880 32.120 1.00 0.00 H +ATOM 1533 HA2 GLY 99 36.590 40.560 31.250 1.00 0.00 H +ATOM 1534 C GLY 99 36.310 38.710 31.910 1.00 0.00 C +ATOM 1535 O GLY 99 35.860 37.780 31.330 1.00 0.00 O +ATOM 1536 N LYS 100 35.920 38.880 33.170 1.00 0.00 N +ATOM 1537 HN LYS 100 36.258 39.686 33.648 1.00 0.00 H +ATOM 1538 CA LYS 100 34.750 38.230 33.680 1.00 0.00 C +ATOM 1539 HA LYS 100 35.022 37.186 33.700 1.00 0.00 H +ATOM 1540 CB LYS 100 34.550 38.530 35.240 1.00 0.00 C +ATOM 1541 HB1 LYS 100 34.300 39.612 35.250 1.00 0.00 H +ATOM 1542 HB2 LYS 100 33.664 38.046 35.704 1.00 0.00 H +ATOM 1543 CG LYS 100 35.860 38.210 36.150 1.00 0.00 C +ATOM 1544 HG1 LYS 100 36.090 37.162 35.860 1.00 0.00 H +ATOM 1545 HG2 LYS 100 36.730 38.750 35.720 1.00 0.00 H +ATOM 1546 CD LYS 100 35.670 38.200 37.700 1.00 0.00 C +ATOM 1547 HD1 LYS 100 35.170 39.142 38.010 1.00 0.00 H +ATOM 1548 HD2 LYS 100 35.000 37.330 37.860 1.00 0.00 H +ATOM 1549 CE LYS 100 37.050 37.950 38.430 1.00 0.00 C +ATOM 1550 HE1 LYS 100 37.512 37.074 37.928 1.00 0.00 H +ATOM 1551 HE2 LYS 100 37.660 38.868 38.290 1.00 0.00 H +ATOM 1552 NZ LYS 100 36.830 37.630 39.830 1.00 0.00 N +ATOM 1553 HZ1 LYS 100 36.214 38.246 40.398 1.00 0.00 H +ATOM 1554 HZ2 LYS 100 36.350 36.710 39.890 1.00 0.00 H +ATOM 1555 HZ3 LYS 100 37.734 37.570 40.342 1.00 0.00 H +ATOM 1556 C LYS 100 33.420 38.670 32.990 1.00 0.00 C +ATOM 1557 O LYS 100 33.250 39.840 32.700 1.00 0.00 O +ATOM 1558 N ILE 101 32.550 37.720 32.770 1.00 0.00 N +ATOM 1559 HN ILE 101 32.720 36.784 33.068 1.00 0.00 H +ATOM 1560 CA ILE 101 31.220 38.070 32.280 1.00 0.00 C +ATOM 1561 HA ILE 101 31.110 39.124 32.070 1.00 0.00 H +ATOM 1562 CB ILE 101 31.000 37.440 30.980 1.00 0.00 C +ATOM 1563 HB ILE 101 29.942 37.440 30.640 1.00 0.00 H +ATOM 1564 CG2 ILE 101 31.750 38.220 29.930 1.00 0.00 C +ATOM 1565 1HG2 ILE 101 32.840 38.320 30.120 1.00 0.00 H +ATOM 1566 2HG2 ILE 101 31.620 37.672 28.972 1.00 0.00 H +ATOM 1567 3HG2 ILE 101 31.382 39.262 29.810 1.00 0.00 H +ATOM 1568 CG1 ILE 101 31.370 35.940 30.890 1.00 0.00 C +ATOM 1569 1HG1 ILE 101 32.418 35.670 31.140 1.00 0.00 H +ATOM 1570 2HG1 ILE 101 30.662 35.522 31.638 1.00 0.00 H +ATOM 1571 CD ILE 101 30.950 35.190 29.610 1.00 0.00 C +ATOM 1572 HD1 ILE 101 29.920 35.590 29.490 1.00 0.00 H +ATOM 1573 HD2 ILE 101 31.592 35.492 28.756 1.00 0.00 H +ATOM 1574 HD3 ILE 101 31.030 34.090 29.740 1.00 0.00 H +ATOM 1575 C ILE 101 30.250 37.540 33.330 1.00 0.00 C +ATOM 1576 O ILE 101 30.660 36.840 34.280 1.00 0.00 O +ATOM 1577 N ARG 102 29.010 37.960 33.240 1.00 0.00 N +ATOM 1578 HN ARG 102 28.800 38.660 32.560 1.00 0.00 H +ATOM 1579 CA ARG 102 27.860 37.490 34.020 1.00 0.00 C +ATOM 1580 HA ARG 102 28.108 36.654 34.658 1.00 0.00 H +ATOM 1581 CB ARG 102 27.270 38.560 34.990 1.00 0.00 C +ATOM 1582 HB1 ARG 102 26.660 37.960 35.700 1.00 0.00 H +ATOM 1583 HB2 ARG 102 28.192 38.910 35.502 1.00 0.00 H +ATOM 1584 CG ARG 102 26.510 39.690 34.430 1.00 0.00 C +ATOM 1585 HG1 ARG 102 27.338 40.380 34.160 1.00 0.00 H +ATOM 1586 HG2 ARG 102 25.830 39.330 33.630 1.00 0.00 H +ATOM 1587 CD ARG 102 25.580 40.380 35.400 1.00 0.00 C +ATOM 1588 HD1 ARG 102 24.694 39.896 35.864 1.00 0.00 H +ATOM 1589 HD2 ARG 102 26.142 40.792 36.264 1.00 0.00 H +ATOM 1590 NE ARG 102 25.020 41.530 34.740 1.00 0.00 N +ATOM 1591 HE ARG 102 25.220 42.484 34.960 1.00 0.00 H +ATOM 1592 CZ ARG 102 24.090 41.450 33.820 1.00 0.00 C +ATOM 1593 NH1 ARG 102 23.530 40.340 33.340 1.00 0.00 N +ATOM 1594 1HH1 ARG 102 23.930 39.440 33.510 1.00 0.00 H +ATOM 1595 2HH1 ARG 102 22.880 40.580 32.620 1.00 0.00 H +ATOM 1596 NH2 ARG 102 23.480 42.570 33.410 1.00 0.00 N +ATOM 1597 1HH2 ARG 102 23.984 43.388 33.682 1.00 0.00 H +ATOM 1598 2HH2 ARG 102 22.754 42.600 32.722 1.00 0.00 H +ATOM 1599 C ARG 102 26.900 37.080 32.940 1.00 0.00 C +ATOM 1600 O ARG 102 26.980 37.540 31.790 1.00 0.00 O +ATOM 1601 N PRO 103 25.930 36.170 33.280 1.00 0.00 N +ATOM 1602 CD PRO 103 25.680 35.610 34.620 1.00 0.00 C +ATOM 1603 HD1 PRO 103 25.432 36.386 35.376 1.00 0.00 H +ATOM 1604 HD2 PRO 103 26.566 35.076 35.022 1.00 0.00 H +ATOM 1605 CA PRO 103 25.120 35.670 32.250 1.00 0.00 C +ATOM 1606 HA PRO 103 25.666 35.670 31.318 1.00 0.00 H +ATOM 1607 CB PRO 103 24.570 34.400 32.940 1.00 0.00 C +ATOM 1608 HB1 PRO 103 23.656 34.078 32.398 1.00 0.00 H +ATOM 1609 HB2 PRO 103 25.220 33.530 32.710 1.00 0.00 H +ATOM 1610 CG PRO 103 24.440 34.720 34.420 1.00 0.00 C +ATOM 1611 HG1 PRO 103 23.578 35.402 34.580 1.00 0.00 H +ATOM 1612 HG2 PRO 103 24.510 33.852 35.110 1.00 0.00 H +ATOM 1613 C PRO 103 24.030 36.650 32.040 1.00 0.00 C +ATOM 1614 O PRO 103 23.890 37.580 32.810 1.00 0.00 O +ATOM 1615 N PRO 104 23.300 36.610 30.930 1.00 0.00 N +ATOM 1616 CD PRO 104 23.370 35.580 29.850 1.00 0.00 C +ATOM 1617 HD1 PRO 104 23.688 34.614 30.298 1.00 0.00 H +ATOM 1618 HD2 PRO 104 24.162 35.870 29.128 1.00 0.00 H +ATOM 1619 CA PRO 104 22.070 37.420 30.840 1.00 0.00 C +ATOM 1620 HA PRO 104 22.180 38.492 30.790 1.00 0.00 H +ATOM 1621 CB PRO 104 21.460 36.920 29.500 1.00 0.00 C +ATOM 1622 HB1 PRO 104 20.354 36.990 29.430 1.00 0.00 H +ATOM 1623 HB2 PRO 104 21.810 37.570 28.670 1.00 0.00 H +ATOM 1624 CG PRO 104 21.960 35.550 29.290 1.00 0.00 C +ATOM 1625 HG1 PRO 104 21.282 34.852 29.828 1.00 0.00 H +ATOM 1626 HG2 PRO 104 21.900 35.290 28.212 1.00 0.00 H +ATOM 1627 C PRO 104 21.020 37.180 31.850 1.00 0.00 C +ATOM 1628 O PRO 104 20.860 36.050 32.410 1.00 0.00 O +ATOM 1629 N LYS 105 20.310 38.220 32.230 1.00 0.00 N +ATOM 1630 HN LYS 105 20.510 39.142 31.910 1.00 0.00 H +ATOM 1631 CA LYS 105 19.050 38.090 32.930 1.00 0.00 C +ATOM 1632 HA LYS 105 19.220 37.420 33.760 1.00 0.00 H +ATOM 1633 CB LYS 105 18.660 39.470 33.570 1.00 0.00 C +ATOM 1634 HB1 LYS 105 18.420 40.238 32.802 1.00 0.00 H +ATOM 1635 HB2 LYS 105 17.742 39.290 34.168 1.00 0.00 H +ATOM 1636 CG LYS 105 19.760 40.060 34.500 1.00 0.00 C +ATOM 1637 HG1 LYS 105 19.780 39.310 35.320 1.00 0.00 H +ATOM 1638 HG2 LYS 105 20.780 40.050 34.060 1.00 0.00 H +ATOM 1639 CD LYS 105 19.410 41.490 34.980 1.00 0.00 C +ATOM 1640 HD1 LYS 105 19.350 42.168 34.102 1.00 0.00 H +ATOM 1641 HD2 LYS 105 18.382 41.440 35.400 1.00 0.00 H +ATOM 1642 CE LYS 105 20.540 42.010 35.920 1.00 0.00 C +ATOM 1643 HE1 LYS 105 20.370 41.708 36.976 1.00 0.00 H +ATOM 1644 HE2 LYS 105 21.564 41.830 35.528 1.00 0.00 H +ATOM 1645 NZ LYS 105 20.340 43.490 35.970 1.00 0.00 N +ATOM 1646 HZ1 LYS 105 20.270 43.770 34.970 1.00 0.00 H +ATOM 1647 HZ2 LYS 105 19.534 43.788 36.556 1.00 0.00 H +ATOM 1648 HZ3 LYS 105 21.130 43.920 36.490 1.00 0.00 H +ATOM 1649 C LYS 105 17.840 37.560 32.040 1.00 0.00 C +ATOM 1650 O LYS 105 18.010 37.320 30.840 1.00 0.00 O +ATOM 1651 N GLU 106 16.690 37.340 32.610 1.00 0.00 N +ATOM 1652 HN GLU 106 16.550 37.540 33.578 1.00 0.00 H +ATOM 1653 CA GLU 106 15.620 36.770 31.800 1.00 0.00 C +ATOM 1654 HA GLU 106 15.910 35.788 31.460 1.00 0.00 H +ATOM 1655 CB GLU 106 14.450 36.370 32.770 1.00 0.00 C +ATOM 1656 HB1 GLU 106 14.870 35.700 33.550 1.00 0.00 H +ATOM 1657 HB2 GLU 106 14.170 37.342 33.230 1.00 0.00 H +ATOM 1658 CG GLU 106 13.140 35.760 32.140 1.00 0.00 C +ATOM 1659 HG1 GLU 106 12.322 35.670 32.888 1.00 0.00 H +ATOM 1660 HG2 GLU 106 12.742 36.426 31.344 1.00 0.00 H +ATOM 1661 CD GLU 106 13.390 34.440 31.550 1.00 0.00 C +ATOM 1662 OE1 GLU 106 14.300 33.750 32.040 1.00 0.00 O +ATOM 1663 OE2 GLU 106 12.590 33.970 30.710 1.00 0.00 O +ATOM 1664 C GLU 106 15.130 37.520 30.540 1.00 0.00 C +ATOM 1665 O GLU 106 14.850 36.910 29.530 1.00 0.00 O +ATOM 1666 N GLY 107 15.040 38.860 30.560 1.00 0.00 N +ATOM 1667 HN GLY 107 15.040 39.354 31.426 1.00 0.00 H +ATOM 1668 CA GLY 107 14.910 39.710 29.330 1.00 0.00 C +ATOM 1669 HA1 GLY 107 14.158 39.198 28.748 1.00 0.00 H +ATOM 1670 HA2 GLY 107 14.610 40.724 29.550 1.00 0.00 H +ATOM 1671 C GLY 107 16.050 39.800 28.380 1.00 0.00 C +ATOM 1672 O GLY 107 15.870 39.940 27.200 1.00 0.00 O +ATOM 1673 N GLU 108 17.270 39.710 28.840 1.00 0.00 N +ATOM 1674 HN GLU 108 17.320 39.342 29.766 1.00 0.00 H +ATOM 1675 CA GLU 108 18.550 40.070 28.290 1.00 0.00 C +ATOM 1676 HA GLU 108 18.380 40.918 27.642 1.00 0.00 H +ATOM 1677 CB GLU 108 19.680 40.250 29.380 1.00 0.00 C +ATOM 1678 HB1 GLU 108 19.650 39.372 30.060 1.00 0.00 H +ATOM 1679 HB2 GLU 108 20.668 40.150 28.882 1.00 0.00 H +ATOM 1680 CG GLU 108 19.630 41.480 30.400 1.00 0.00 C +ATOM 1681 HG1 GLU 108 19.580 42.408 29.792 1.00 0.00 H +ATOM 1682 HG2 GLU 108 18.722 41.510 31.038 1.00 0.00 H +ATOM 1683 CD GLU 108 20.870 41.560 31.230 1.00 0.00 C +ATOM 1684 OE1 GLU 108 21.660 40.600 31.430 1.00 0.00 O +ATOM 1685 OE2 GLU 108 21.210 42.680 31.740 1.00 0.00 O +ATOM 1686 C GLU 108 18.990 39.090 27.230 1.00 0.00 C +ATOM 1687 O GLU 108 18.740 37.910 27.400 1.00 0.00 O +ATOM 1688 N ARG 109 19.530 39.700 26.180 1.00 0.00 N +ATOM 1689 HN ARG 109 19.560 40.696 26.120 1.00 0.00 H +ATOM 1690 CA ARG 109 19.790 38.880 25.040 1.00 0.00 C +ATOM 1691 HA ARG 109 19.112 38.042 25.100 1.00 0.00 H +ATOM 1692 CB ARG 109 19.430 39.700 23.770 1.00 0.00 C +ATOM 1693 HB1 ARG 109 19.820 40.740 23.790 1.00 0.00 H +ATOM 1694 HB2 ARG 109 20.068 39.302 22.952 1.00 0.00 H +ATOM 1695 CG ARG 109 17.980 39.680 23.450 1.00 0.00 C +ATOM 1696 HG1 ARG 109 17.398 39.840 24.382 1.00 0.00 H +ATOM 1697 HG2 ARG 109 17.770 40.518 22.752 1.00 0.00 H +ATOM 1698 CD ARG 109 17.420 38.350 22.850 1.00 0.00 C +ATOM 1699 HD1 ARG 109 17.660 37.490 23.510 1.00 0.00 H +ATOM 1700 HD2 ARG 109 16.316 38.420 22.750 1.00 0.00 H +ATOM 1701 NE ARG 109 18.120 38.230 21.560 1.00 0.00 N +ATOM 1702 HE ARG 109 19.114 38.330 21.520 1.00 0.00 H +ATOM 1703 CZ ARG 109 17.570 38.080 20.390 1.00 0.00 C +ATOM 1704 NH1 ARG 109 16.280 37.880 20.230 1.00 0.00 N +ATOM 1705 1HH1 ARG 109 15.570 37.690 20.910 1.00 0.00 H +ATOM 1706 2HH1 ARG 109 16.110 37.770 19.250 1.00 0.00 H +ATOM 1707 NH2 ARG 109 18.380 38.160 19.360 1.00 0.00 N +ATOM 1708 1HH2 ARG 109 19.368 38.100 19.500 1.00 0.00 H +ATOM 1709 2HH2 ARG 109 18.018 38.070 18.434 1.00 0.00 H +ATOM 1710 C ARG 109 21.200 38.130 25.120 1.00 0.00 C +ATOM 1711 O ARG 109 21.320 37.020 24.600 1.00 0.00 O +ATOM 1712 N TYR 110 22.230 38.850 25.650 1.00 0.00 N +ATOM 1713 HN TYR 110 22.030 39.520 26.360 1.00 0.00 H +ATOM 1714 CA TYR 110 23.630 38.450 25.490 1.00 0.00 C +ATOM 1715 HA TYR 110 23.710 37.498 24.988 1.00 0.00 H +ATOM 1716 CB TYR 110 24.430 39.460 24.640 1.00 0.00 C +ATOM 1717 HB1 TYR 110 24.510 40.446 25.144 1.00 0.00 H +ATOM 1718 HB2 TYR 110 25.458 39.110 24.400 1.00 0.00 H +ATOM 1719 CG TYR 110 23.820 39.640 23.270 1.00 0.00 C +ATOM 1720 CD1 TYR 110 24.360 38.930 22.180 1.00 0.00 C +ATOM 1721 HD1 TYR 110 25.044 38.106 22.310 1.00 0.00 H +ATOM 1722 CE1 TYR 110 24.090 39.350 20.890 1.00 0.00 C +ATOM 1723 HE1 TYR 110 24.598 38.782 20.124 1.00 0.00 H +ATOM 1724 CZ TYR 110 23.120 40.340 20.590 1.00 0.00 C +ATOM 1725 OH TYR 110 22.870 40.520 19.250 1.00 0.00 O +ATOM 1726 HH TYR 110 22.030 40.980 19.180 1.00 0.00 H +ATOM 1727 CD2 TYR 110 22.860 40.650 23.000 1.00 0.00 C +ATOM 1728 HD2 TYR 110 22.428 41.242 23.792 1.00 0.00 H +ATOM 1729 CE2 TYR 110 22.510 40.980 21.620 1.00 0.00 C +ATOM 1730 HE2 TYR 110 21.824 41.806 21.500 1.00 0.00 H +ATOM 1731 C TYR 110 24.260 38.190 26.830 1.00 0.00 C +ATOM 1732 O TYR 110 23.750 38.690 27.840 1.00 0.00 O +ATOM 1733 N PHE 111 25.380 37.490 26.880 1.00 0.00 N +ATOM 1734 HN PHE 111 25.600 36.818 26.178 1.00 0.00 H +ATOM 1735 CA PHE 111 26.420 37.770 27.840 1.00 0.00 C +ATOM 1736 HA PHE 111 26.000 37.590 28.818 1.00 0.00 H +ATOM 1737 CB PHE 111 27.630 36.870 27.670 1.00 0.00 C +ATOM 1738 HB1 PHE 111 28.130 37.020 26.690 1.00 0.00 H +ATOM 1739 HB2 PHE 111 28.394 37.182 28.414 1.00 0.00 H +ATOM 1740 CG PHE 111 27.330 35.430 28.070 1.00 0.00 C +ATOM 1741 CD1 PHE 111 27.270 34.450 27.120 1.00 0.00 C +ATOM 1742 HD1 PHE 111 27.360 34.710 26.076 1.00 0.00 H +ATOM 1743 CE1 PHE 111 27.120 33.110 27.490 1.00 0.00 C +ATOM 1744 HE1 PHE 111 27.030 32.340 26.740 1.00 0.00 H +ATOM 1745 CZ PHE 111 26.810 32.810 28.820 1.00 0.00 C +ATOM 1746 HZ PHE 111 26.558 31.786 29.050 1.00 0.00 H +ATOM 1747 CD2 PHE 111 27.270 35.080 29.440 1.00 0.00 C +ATOM 1748 HD2 PHE 111 27.420 35.870 30.160 1.00 0.00 H +ATOM 1749 CE2 PHE 111 26.950 33.760 29.780 1.00 0.00 C +ATOM 1750 HE2 PHE 111 26.820 33.500 30.820 1.00 0.00 H +ATOM 1751 C PHE 111 27.010 39.150 27.940 1.00 0.00 C +ATOM 1752 O PHE 111 27.360 39.750 26.960 1.00 0.00 O +ATOM 1753 N ALA 112 27.190 39.640 29.210 1.00 0.00 N +ATOM 1754 HN ALA 112 26.822 39.242 30.046 1.00 0.00 H +ATOM 1755 CA ALA 112 27.660 40.970 29.400 1.00 0.00 C +ATOM 1756 HA ALA 112 27.800 41.412 28.426 1.00 0.00 H +ATOM 1757 CB ALA 112 26.650 41.760 30.280 1.00 0.00 C +ATOM 1758 HB1 ALA 112 26.580 41.208 31.242 1.00 0.00 H +ATOM 1759 HB2 ALA 112 26.990 42.798 30.480 1.00 0.00 H +ATOM 1760 HB3 ALA 112 25.600 41.770 29.920 1.00 0.00 H +ATOM 1761 C ALA 112 28.950 40.940 30.120 1.00 0.00 C +ATOM 1762 O ALA 112 29.190 40.060 31.020 1.00 0.00 O +ATOM 1763 N LEU 113 29.880 41.900 29.790 1.00 0.00 N +ATOM 1764 HN LEU 113 29.740 42.472 28.986 1.00 0.00 H +ATOM 1765 CA LEU 113 31.120 42.040 30.490 1.00 0.00 C +ATOM 1766 HA LEU 113 31.570 41.060 30.530 1.00 0.00 H +ATOM 1767 CB LEU 113 31.980 42.820 29.510 1.00 0.00 C +ATOM 1768 HB1 LEU 113 31.900 42.308 28.528 1.00 0.00 H +ATOM 1769 HB2 LEU 113 31.638 43.876 29.460 1.00 0.00 H +ATOM 1770 CG LEU 113 33.490 42.810 29.800 1.00 0.00 C +ATOM 1771 HG LEU 113 33.590 43.190 30.840 1.00 0.00 H +ATOM 1772 CD1 LEU 113 34.180 41.410 29.680 1.00 0.00 C +ATOM 1773 1HD1 LEU 113 33.822 40.862 28.782 1.00 0.00 H +ATOM 1774 2HD1 LEU 113 35.278 41.500 29.530 1.00 0.00 H +ATOM 1775 3HD1 LEU 113 33.990 40.770 30.568 1.00 0.00 H +ATOM 1776 CD2 LEU 113 34.230 43.750 28.800 1.00 0.00 C +ATOM 1777 1HD2 LEU 113 33.872 44.796 28.920 1.00 0.00 H +ATOM 1778 2HD2 LEU 113 35.320 43.750 29.010 1.00 0.00 H +ATOM 1779 3HD2 LEU 113 33.990 43.380 27.780 1.00 0.00 H +ATOM 1780 C LEU 113 31.010 42.650 31.870 1.00 0.00 C +ATOM 1781 O LEU 113 30.670 43.840 32.190 1.00 0.00 O +ATOM 1782 N LEU 114 31.330 41.900 32.880 1.00 0.00 N +ATOM 1783 HN LEU 114 31.842 41.058 32.730 1.00 0.00 H +ATOM 1784 CA LEU 114 31.160 42.180 34.190 1.00 0.00 C +ATOM 1785 HA LEU 114 30.318 42.792 34.480 1.00 0.00 H +ATOM 1786 CB LEU 114 30.930 40.860 35.030 1.00 0.00 C +ATOM 1787 HB1 LEU 114 30.320 40.142 34.440 1.00 0.00 H +ATOM 1788 HB2 LEU 114 31.860 40.310 35.290 1.00 0.00 H +ATOM 1789 CG LEU 114 30.420 41.100 36.490 1.00 0.00 C +ATOM 1790 HG LEU 114 31.118 41.858 36.908 1.00 0.00 H +ATOM 1791 CD1 LEU 114 28.890 41.560 36.700 1.00 0.00 C +ATOM 1792 1HD1 LEU 114 28.210 40.682 36.730 1.00 0.00 H +ATOM 1793 2HD1 LEU 114 28.820 41.970 37.730 1.00 0.00 H +ATOM 1794 3HD1 LEU 114 28.690 42.260 35.860 1.00 0.00 H +ATOM 1795 CD2 LEU 114 30.850 39.860 37.350 1.00 0.00 C +ATOM 1796 1HD2 LEU 114 31.926 39.648 37.170 1.00 0.00 H +ATOM 1797 2HD2 LEU 114 30.600 40.040 38.418 1.00 0.00 H +ATOM 1798 3HD2 LEU 114 30.130 39.080 37.020 1.00 0.00 H +ATOM 1799 C LEU 114 32.380 42.910 34.840 1.00 0.00 C +ATOM 1800 O LEU 114 32.250 43.830 35.600 1.00 0.00 O +ATOM 1801 N LYS 115 33.570 42.460 34.530 1.00 0.00 N +ATOM 1802 HN LYS 115 33.690 41.702 33.892 1.00 0.00 H +ATOM 1803 CA LYS 115 34.750 43.160 34.840 1.00 0.00 C +ATOM 1804 HA LYS 115 34.550 44.216 34.940 1.00 0.00 H +ATOM 1805 CB LYS 115 35.350 42.610 36.190 1.00 0.00 C +ATOM 1806 HB1 LYS 115 34.662 42.810 37.038 1.00 0.00 H +ATOM 1807 HB2 LYS 115 35.310 41.510 36.040 1.00 0.00 H +ATOM 1808 CG LYS 115 36.750 43.110 36.570 1.00 0.00 C +ATOM 1809 HG1 LYS 115 37.404 43.030 35.676 1.00 0.00 H +ATOM 1810 HG2 LYS 115 36.720 44.208 36.740 1.00 0.00 H +ATOM 1811 CD LYS 115 37.490 42.360 37.770 1.00 0.00 C +ATOM 1812 HD1 LYS 115 36.792 42.470 38.628 1.00 0.00 H +ATOM 1813 HD2 LYS 115 37.460 41.268 37.570 1.00 0.00 H +ATOM 1814 CE LYS 115 38.820 42.870 38.260 1.00 0.00 C +ATOM 1815 HE1 LYS 115 38.800 43.978 38.340 1.00 0.00 H +ATOM 1816 HE2 LYS 115 38.980 42.370 39.240 1.00 0.00 H +ATOM 1817 NZ LYS 115 39.840 42.290 37.330 1.00 0.00 N +ATOM 1818 HZ1 LYS 115 39.438 42.390 36.376 1.00 0.00 H +ATOM 1819 HZ2 LYS 115 40.742 42.802 37.410 1.00 0.00 H +ATOM 1820 HZ3 LYS 115 40.070 41.282 37.440 1.00 0.00 H +ATOM 1821 C LYS 115 35.770 43.020 33.680 1.00 0.00 C +ATOM 1822 O LYS 115 35.840 41.940 33.130 1.00 0.00 O +ATOM 1823 N VAL 116 36.470 44.040 33.310 1.00 0.00 N +ATOM 1824 HN VAL 116 36.370 44.938 33.730 1.00 0.00 H +ATOM 1825 CA VAL 116 37.640 44.090 32.400 1.00 0.00 C +ATOM 1826 HA VAL 116 37.550 43.408 31.568 1.00 0.00 H +ATOM 1827 CB VAL 116 37.860 45.540 31.980 1.00 0.00 C +ATOM 1828 HB VAL 116 37.610 46.290 32.760 1.00 0.00 H +ATOM 1829 CG1 VAL 116 39.280 45.850 31.640 1.00 0.00 C +ATOM 1830 1HG1 VAL 116 39.960 45.970 32.510 1.00 0.00 H +ATOM 1831 2HG1 VAL 116 39.700 45.060 30.980 1.00 0.00 H +ATOM 1832 3HG1 VAL 116 39.290 46.854 31.162 1.00 0.00 H +ATOM 1833 CG2 VAL 116 36.790 45.830 30.850 1.00 0.00 C +ATOM 1834 1HG2 VAL 116 36.890 46.902 30.580 1.00 0.00 H +ATOM 1835 2HG2 VAL 116 36.970 45.292 29.894 1.00 0.00 H +ATOM 1836 3HG2 VAL 116 35.758 45.520 31.120 1.00 0.00 H +ATOM 1837 C VAL 116 38.810 43.450 33.230 1.00 0.00 C +ATOM 1838 O VAL 116 39.110 43.990 34.280 1.00 0.00 O +ATOM 1839 N ASN 117 39.530 42.420 32.730 1.00 0.00 N +ATOM 1840 HN ASN 117 39.280 42.200 31.790 1.00 0.00 H +ATOM 1841 CA ASN 117 40.770 41.900 33.400 1.00 0.00 C +ATOM 1842 HA ASN 117 40.850 42.440 34.332 1.00 0.00 H +ATOM 1843 CB ASN 117 40.820 40.410 33.690 1.00 0.00 C +ATOM 1844 HB1 ASN 117 40.770 39.846 32.734 1.00 0.00 H +ATOM 1845 HB2 ASN 117 41.758 40.070 34.180 1.00 0.00 H +ATOM 1846 CG ASN 117 39.680 39.960 34.570 1.00 0.00 C +ATOM 1847 OD1 ASN 117 38.970 40.670 35.280 1.00 0.00 O +ATOM 1848 ND2 ASN 117 39.430 38.640 34.600 1.00 0.00 N +ATOM 1849 1HD2 ASN 117 39.902 38.108 33.898 1.00 0.00 H +ATOM 1850 2HD2 ASN 117 38.526 38.490 35.002 1.00 0.00 H +ATOM 1851 C ASN 117 41.950 42.330 32.500 1.00 0.00 C +ATOM 1852 O ASN 117 42.930 42.790 33.060 1.00 0.00 O +ATOM 1853 N GLU 118 41.890 42.170 31.180 1.00 0.00 N +ATOM 1854 HN GLU 118 41.052 41.880 30.722 1.00 0.00 H +ATOM 1855 CA GLU 118 42.910 42.430 30.230 1.00 0.00 C +ATOM 1856 HA GLU 118 43.586 43.086 30.758 1.00 0.00 H +ATOM 1857 CB GLU 118 43.840 41.260 29.840 1.00 0.00 C +ATOM 1858 HB1 GLU 118 43.160 40.470 29.460 1.00 0.00 H +ATOM 1859 HB2 GLU 118 44.488 41.640 29.022 1.00 0.00 H +ATOM 1860 CG GLU 118 44.620 40.700 31.040 1.00 0.00 C +ATOM 1861 HG1 GLU 118 45.182 41.452 31.632 1.00 0.00 H +ATOM 1862 HG2 GLU 118 43.822 40.292 31.698 1.00 0.00 H +ATOM 1863 CD GLU 118 45.520 39.550 30.500 1.00 0.00 C +ATOM 1864 OE1 GLU 118 44.920 38.530 30.050 1.00 0.00 O +ATOM 1865 OE2 GLU 118 46.760 39.610 30.610 1.00 0.00 O +ATOM 1866 C GLU 118 42.590 43.170 28.900 1.00 0.00 C +ATOM 1867 O GLU 118 41.610 42.860 28.280 1.00 0.00 O +ATOM 1868 N VAL 119 43.370 44.120 28.400 1.00 0.00 N +ATOM 1869 HN VAL 119 44.296 44.378 28.668 1.00 0.00 H +ATOM 1870 CA VAL 119 43.030 44.750 27.120 1.00 0.00 C +ATOM 1871 HA VAL 119 42.422 44.032 26.592 1.00 0.00 H +ATOM 1872 CB VAL 119 42.350 46.200 27.250 1.00 0.00 C +ATOM 1873 HB VAL 119 42.948 46.738 28.018 1.00 0.00 H +ATOM 1874 CG1 VAL 119 42.540 47.030 25.950 1.00 0.00 C +ATOM 1875 1HG1 VAL 119 42.092 46.592 25.032 1.00 0.00 H +ATOM 1876 2HG1 VAL 119 42.020 48.012 25.980 1.00 0.00 H +ATOM 1877 3HG1 VAL 119 43.606 47.200 25.688 1.00 0.00 H +ATOM 1878 CG2 VAL 119 40.890 46.040 27.720 1.00 0.00 C +ATOM 1879 1HG2 VAL 119 40.202 45.372 27.160 1.00 0.00 H +ATOM 1880 2HG2 VAL 119 40.880 45.608 28.744 1.00 0.00 H +ATOM 1881 3HG2 VAL 119 40.454 47.052 27.868 1.00 0.00 H +ATOM 1882 C VAL 119 44.360 44.830 26.310 1.00 0.00 C +ATOM 1883 O VAL 119 45.380 45.210 26.780 1.00 0.00 O +ATOM 1884 N ASN 120 44.310 44.270 25.080 1.00 0.00 N +ATOM 1885 HN ASN 120 43.412 43.980 24.760 1.00 0.00 H +ATOM 1886 CA ASN 120 45.430 44.030 24.110 1.00 0.00 C +ATOM 1887 HA ASN 120 45.042 43.384 23.336 1.00 0.00 H +ATOM 1888 CB ASN 120 45.930 45.350 23.590 1.00 0.00 C +ATOM 1889 HB1 ASN 120 46.320 46.040 24.370 1.00 0.00 H +ATOM 1890 HB2 ASN 120 46.832 45.200 22.958 1.00 0.00 H +ATOM 1891 CG ASN 120 44.810 45.870 22.750 1.00 0.00 C +ATOM 1892 OD1 ASN 120 44.250 45.180 21.890 1.00 0.00 O +ATOM 1893 ND2 ASN 120 44.450 47.160 22.940 1.00 0.00 N +ATOM 1894 1HD2 ASN 120 44.910 47.720 23.630 1.00 0.00 H +ATOM 1895 2HD2 ASN 120 43.722 47.570 22.390 1.00 0.00 H +ATOM 1896 C ASN 120 46.520 43.120 24.730 1.00 0.00 C +ATOM 1897 O ASN 120 47.730 43.200 24.500 1.00 0.00 O +ATOM 1898 N PHE 121 46.000 42.250 25.640 1.00 0.00 N +ATOM 1899 HN PHE 121 45.012 42.190 25.760 1.00 0.00 H +ATOM 1900 CA PHE 121 46.850 41.070 26.190 1.00 0.00 C +ATOM 1901 HA PHE 121 46.128 40.368 26.580 1.00 0.00 H +ATOM 1902 CB PHE 121 47.660 40.280 25.130 1.00 0.00 C +ATOM 1903 HB1 PHE 121 48.514 40.782 24.628 1.00 0.00 H +ATOM 1904 HB2 PHE 121 48.108 39.344 25.528 1.00 0.00 H +ATOM 1905 CG PHE 121 46.780 39.840 24.030 1.00 0.00 C +ATOM 1906 CD1 PHE 121 45.970 38.690 24.180 1.00 0.00 C +ATOM 1907 HD1 PHE 121 46.118 38.044 25.034 1.00 0.00 H +ATOM 1908 CE1 PHE 121 45.260 38.250 23.040 1.00 0.00 C +ATOM 1909 HE1 PHE 121 44.610 37.390 23.120 1.00 0.00 H +ATOM 1910 CZ PHE 121 45.250 38.980 21.890 1.00 0.00 C +ATOM 1911 HZ PHE 121 44.628 38.638 21.076 1.00 0.00 H +ATOM 1912 CD2 PHE 121 46.830 40.480 22.810 1.00 0.00 C +ATOM 1913 HD2 PHE 121 47.548 41.278 22.680 1.00 0.00 H +ATOM 1914 CE2 PHE 121 46.090 40.080 21.760 1.00 0.00 C +ATOM 1915 HE2 PHE 121 45.980 40.638 20.842 1.00 0.00 H +ATOM 1916 C PHE 121 47.760 41.650 27.280 1.00 0.00 C +ATOM 1917 O PHE 121 48.830 41.090 27.610 1.00 0.00 O +ATOM 1918 N ASP 122 47.380 42.830 27.860 1.00 0.00 N +ATOM 1919 HN ASP 122 46.516 43.152 27.478 1.00 0.00 H +ATOM 1920 CA ASP 122 48.090 43.530 28.980 1.00 0.00 C +ATOM 1921 HA ASP 122 48.684 42.784 29.484 1.00 0.00 H +ATOM 1922 CB ASP 122 48.940 44.650 28.260 1.00 0.00 C +ATOM 1923 HB1 ASP 122 49.520 44.250 27.400 1.00 0.00 H +ATOM 1924 HB2 ASP 122 48.260 45.410 27.820 1.00 0.00 H +ATOM 1925 CG ASP 122 49.900 45.210 29.250 1.00 0.00 C +ATOM 1926 OD1 ASP 122 50.220 44.590 30.280 1.00 0.00 O +ATOM 1927 OD2 ASP 122 50.420 46.280 28.910 1.00 0.00 O +ATOM 1928 C ASP 122 47.130 44.120 29.970 1.00 0.00 C +ATOM 1929 O ASP 122 45.940 44.170 29.660 1.00 0.00 O +ATOM 1930 N LYS 123 47.590 44.670 31.100 1.00 0.00 N +ATOM 1931 HN LYS 123 48.576 44.770 31.210 1.00 0.00 H +ATOM 1932 CA LYS 123 46.670 45.250 32.030 1.00 0.00 C +ATOM 1933 HA LYS 123 45.908 44.508 32.220 1.00 0.00 H +ATOM 1934 CB LYS 123 47.420 45.540 33.330 1.00 0.00 C +ATOM 1935 HB1 LYS 123 46.760 46.030 34.078 1.00 0.00 H +ATOM 1936 HB2 LYS 123 47.690 44.552 33.760 1.00 0.00 H +ATOM 1937 CG LYS 123 48.740 46.360 33.210 1.00 0.00 C +ATOM 1938 HG1 LYS 123 49.572 45.860 32.670 1.00 0.00 H +ATOM 1939 HG2 LYS 123 48.450 47.228 32.580 1.00 0.00 H +ATOM 1940 CD LYS 123 49.330 46.970 34.550 1.00 0.00 C +ATOM 1941 HD1 LYS 123 50.190 47.620 34.280 1.00 0.00 H +ATOM 1942 HD2 LYS 123 48.662 47.798 34.870 1.00 0.00 H +ATOM 1943 CE LYS 123 49.570 45.920 35.630 1.00 0.00 C +ATOM 1944 HE1 LYS 123 48.666 45.318 35.862 1.00 0.00 H +ATOM 1945 HE2 LYS 123 50.382 45.248 35.280 1.00 0.00 H +ATOM 1946 NZ LYS 123 50.030 46.460 36.960 1.00 0.00 N +ATOM 1947 HZ1 LYS 123 49.790 45.770 37.700 1.00 0.00 H +ATOM 1948 HZ2 LYS 123 51.004 46.822 36.990 1.00 0.00 H +ATOM 1949 HZ3 LYS 123 49.392 47.266 37.120 1.00 0.00 H +ATOM 1950 C LYS 123 45.940 46.550 31.500 1.00 0.00 C +ATOM 1951 O LYS 123 46.590 47.400 30.810 1.00 0.00 O +ATOM 1952 N PRO 124 44.730 46.850 31.870 1.00 0.00 N +ATOM 1953 CD PRO 124 44.080 46.340 33.080 1.00 0.00 C +ATOM 1954 HD1 PRO 124 44.642 46.630 33.994 1.00 0.00 H +ATOM 1955 HD2 PRO 124 44.020 45.236 32.980 1.00 0.00 H +ATOM 1956 CA PRO 124 43.950 47.920 31.220 1.00 0.00 C +ATOM 1957 HA PRO 124 44.180 48.090 30.178 1.00 0.00 H +ATOM 1958 CB PRO 124 42.500 47.380 31.490 1.00 0.00 C +ATOM 1959 HB1 PRO 124 41.774 48.206 31.330 1.00 0.00 H +ATOM 1960 HB2 PRO 124 42.290 46.506 30.838 1.00 0.00 H +ATOM 1961 CG PRO 124 42.680 46.890 32.970 1.00 0.00 C +ATOM 1962 HG1 PRO 124 42.460 47.704 33.694 1.00 0.00 H +ATOM 1963 HG2 PRO 124 41.928 46.228 33.452 1.00 0.00 H +ATOM 1964 C PRO 124 44.110 49.310 31.800 1.00 0.00 C +ATOM 1965 O PRO 124 43.180 50.050 31.990 1.00 0.00 O +ATOM 1966 N GLU 125 45.410 49.580 32.250 1.00 0.00 N +ATOM 1967 HN GLU 125 46.194 48.998 32.050 1.00 0.00 H +ATOM 1968 CA GLU 125 45.720 50.850 32.860 1.00 0.00 C +ATOM 1969 HA GLU 125 45.008 51.030 33.652 1.00 0.00 H +ATOM 1970 CB GLU 125 47.040 50.830 33.610 1.00 0.00 C +ATOM 1971 HB1 GLU 125 47.342 51.866 33.872 1.00 0.00 H +ATOM 1972 HB2 GLU 125 47.000 50.232 34.546 1.00 0.00 H +ATOM 1973 CG GLU 125 48.290 50.260 32.870 1.00 0.00 C +ATOM 1974 HG1 GLU 125 48.170 49.196 32.572 1.00 0.00 H +ATOM 1975 HG2 GLU 125 48.460 50.840 31.938 1.00 0.00 H +ATOM 1976 CD GLU 125 49.520 50.370 33.750 1.00 0.00 C +ATOM 1977 OE1 GLU 125 49.430 50.640 35.010 1.00 0.00 O +ATOM 1978 OE2 GLU 125 50.640 50.020 33.300 1.00 0.00 O +ATOM 1979 C GLU 125 45.560 51.930 31.890 1.00 0.00 C +ATOM 1980 O GLU 125 46.070 51.910 30.780 1.00 0.00 O +ATOM 1981 N ASN 126 44.660 52.890 32.250 1.00 0.00 N +ATOM 1982 HN ASN 126 44.074 52.810 33.054 1.00 0.00 H +ATOM 1983 CA ASN 126 44.320 54.000 31.380 1.00 0.00 C +ATOM 1984 HA ASN 126 44.530 53.680 30.370 1.00 0.00 H +ATOM 1985 CB ASN 126 42.840 54.360 31.430 1.00 0.00 C +ATOM 1986 HB1 ASN 126 42.480 55.200 30.800 1.00 0.00 H +ATOM 1987 HB2 ASN 126 42.288 53.478 31.040 1.00 0.00 H +ATOM 1988 CG ASN 126 42.400 54.760 32.860 1.00 0.00 C +ATOM 1989 OD1 ASN 126 42.250 53.970 33.800 1.00 0.00 O +ATOM 1990 ND2 ASN 126 42.280 56.110 33.060 1.00 0.00 N +ATOM 1991 1HD2 ASN 126 42.480 56.730 32.300 1.00 0.00 H +ATOM 1992 2HD2 ASN 126 41.878 56.532 33.872 1.00 0.00 H +ATOM 1993 C ASN 126 45.350 55.220 31.600 1.00 0.00 C +ATOM 1994 O ASN 126 45.520 56.110 30.790 1.00 0.00 O +ATOM 1995 N ALA 127 46.130 55.100 32.740 1.00 0.00 N +ATOM 1996 HN ALA 127 45.700 54.510 33.420 1.00 0.00 H +ATOM 1997 CA ALA 127 47.260 55.870 33.160 1.00 0.00 C +ATOM 1998 HA ALA 127 46.910 56.888 33.070 1.00 0.00 H +ATOM 1999 CB ALA 127 47.640 55.680 34.650 1.00 0.00 C +ATOM 2000 HB1 ALA 127 46.806 55.992 35.314 1.00 0.00 H +ATOM 2001 HB2 ALA 127 47.900 54.628 34.890 1.00 0.00 H +ATOM 2002 HB3 ALA 127 48.470 56.360 34.940 1.00 0.00 H +ATOM 2003 C ALA 127 48.540 55.940 32.270 1.00 0.00 C +ATOM 2004 O ALA 127 48.970 54.890 31.700 1.00 0.00 O +ATOM 2005 N ARG 128 49.050 57.160 32.000 1.00 0.00 N +ATOM 2006 HN ARG 128 48.700 57.982 32.442 1.00 0.00 H +ATOM 2007 CA ARG 128 50.240 57.320 31.170 1.00 0.00 C +ATOM 2008 HA ARG 128 50.980 56.630 31.550 1.00 0.00 H +ATOM 2009 CB ARG 128 49.780 57.190 29.670 1.00 0.00 C +ATOM 2010 HB1 ARG 128 49.130 56.290 29.670 1.00 0.00 H +ATOM 2011 HB2 ARG 128 49.138 58.094 29.600 1.00 0.00 H +ATOM 2012 CG ARG 128 50.860 57.160 28.620 1.00 0.00 C +ATOM 2013 HG1 ARG 128 51.540 58.040 28.600 1.00 0.00 H +ATOM 2014 HG2 ARG 128 51.590 56.370 28.900 1.00 0.00 H +ATOM 2015 CD ARG 128 50.330 56.900 27.170 1.00 0.00 C +ATOM 2016 HD1 ARG 128 51.228 56.690 26.550 1.00 0.00 H +ATOM 2017 HD2 ARG 128 49.680 56.010 27.300 1.00 0.00 H +ATOM 2018 NE ARG 128 49.500 58.040 26.720 1.00 0.00 N +ATOM 2019 HE ARG 128 49.182 58.676 27.424 1.00 0.00 H +ATOM 2020 CZ ARG 128 49.050 58.240 25.510 1.00 0.00 C +ATOM 2021 NH1 ARG 128 49.130 57.380 24.500 1.00 0.00 N +ATOM 2022 1HH1 ARG 128 49.440 56.438 24.630 1.00 0.00 H +ATOM 2023 2HH1 ARG 128 48.800 57.670 23.602 1.00 0.00 H +ATOM 2024 NH2 ARG 128 48.240 59.270 25.270 1.00 0.00 N +ATOM 2025 1HH2 ARG 128 48.050 59.850 26.062 1.00 0.00 H +ATOM 2026 2HH2 ARG 128 47.558 59.270 24.538 1.00 0.00 H +ATOM 2027 C ARG 128 50.710 58.740 31.500 1.00 0.00 C +ATOM 2028 O ARG 128 50.050 59.380 32.260 1.00 0.00 O +ATOM 2029 N ASN 129 51.840 59.200 31.040 1.00 0.00 N +ATOM 2030 HN ASN 129 52.440 58.700 30.420 1.00 0.00 H +ATOM 2031 CA ASN 129 52.340 60.520 31.140 1.00 0.00 C +ATOM 2032 HA ASN 129 52.350 60.868 32.164 1.00 0.00 H +ATOM 2033 CB ASN 129 53.860 60.660 30.690 1.00 0.00 C +ATOM 2034 HB1 ASN 129 53.940 60.520 29.590 1.00 0.00 H +ATOM 2035 HB2 ASN 129 54.180 61.690 30.960 1.00 0.00 H +ATOM 2036 CG ASN 129 54.840 59.700 31.440 1.00 0.00 C +ATOM 2037 OD1 ASN 129 54.450 58.930 32.350 1.00 0.00 O +ATOM 2038 ND2 ASN 129 56.110 59.600 30.920 1.00 0.00 N +ATOM 2039 1HD2 ASN 129 56.312 59.964 30.012 1.00 0.00 H +ATOM 2040 2HD2 ASN 129 56.828 59.370 31.578 1.00 0.00 H +ATOM 2041 C ASN 129 51.460 61.550 30.470 1.00 0.00 C +ATOM 2042 O ASN 129 51.010 61.280 29.330 1.00 0.00 O +ATOM 2043 N LYS 130 51.270 62.710 31.130 1.00 0.00 N +ATOM 2044 HN LYS 130 51.644 62.882 32.038 1.00 0.00 H +ATOM 2045 CA LYS 130 50.450 63.760 30.580 1.00 0.00 C +ATOM 2046 HA LYS 130 50.052 63.400 29.642 1.00 0.00 H +ATOM 2047 CB LYS 130 49.410 64.240 31.530 1.00 0.00 C +ATOM 2048 HB1 LYS 130 48.800 65.058 31.090 1.00 0.00 H +ATOM 2049 HB2 LYS 130 48.710 63.380 31.610 1.00 0.00 H +ATOM 2050 CG LYS 130 49.890 64.750 32.980 1.00 0.00 C +ATOM 2051 HG1 LYS 130 50.360 63.940 33.580 1.00 0.00 H +ATOM 2052 HG2 LYS 130 50.560 65.630 32.890 1.00 0.00 H +ATOM 2053 CD LYS 130 48.750 65.220 33.820 1.00 0.00 C +ATOM 2054 HD1 LYS 130 48.112 64.362 34.120 1.00 0.00 H +ATOM 2055 HD2 LYS 130 49.230 65.640 34.730 1.00 0.00 H +ATOM 2056 CE LYS 130 47.930 66.390 33.310 1.00 0.00 C +ATOM 2057 HE1 LYS 130 48.520 67.260 32.950 1.00 0.00 H +ATOM 2058 HE2 LYS 130 47.318 65.960 32.488 1.00 0.00 H +ATOM 2059 NZ LYS 130 47.020 66.830 34.430 1.00 0.00 N +ATOM 2060 HZ1 LYS 130 46.848 65.974 34.994 1.00 0.00 H +ATOM 2061 HZ2 LYS 130 47.594 67.454 35.034 1.00 0.00 H +ATOM 2062 HZ3 LYS 130 46.124 67.318 34.222 1.00 0.00 H +ATOM 2063 C LYS 130 51.370 64.950 30.340 1.00 0.00 C +ATOM 2064 OT1 LYS 130 51.150 65.620 29.310 1.00 0.00 O +ATOM 2065 OT2 LYS 130 52.370 65.180 31.110 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1ab1_A.pdb b/data/PDBs/1ab1_A.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b038122e1a12d1a32c31908bff96c0861f8e7560 --- /dev/null +++ b/data/PDBs/1ab1_A.pdb @@ -0,0 +1,646 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 48.261 42.618 47.340 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N THR 1 31.980 25.550 20.310 1.00 0.00 N +ATOM 2 H1 THR 1 31.094 25.692 19.786 1.00 0.00 H +ATOM 3 H2 THR 1 32.060 26.376 20.938 1.00 0.00 H +ATOM 4 H3 THR 1 32.838 25.700 19.742 1.00 0.00 H +ATOM 5 CA THR 1 31.950 24.240 21.150 1.00 0.00 C +ATOM 6 HA THR 1 31.820 23.458 20.418 1.00 0.00 H +ATOM 7 CB THR 1 33.260 23.860 21.830 1.00 0.00 C +ATOM 8 HB THR 1 33.780 24.788 22.150 1.00 0.00 H +ATOM 9 OG1 THR 1 34.050 23.100 20.900 1.00 0.00 O +ATOM 10 HG1 THR 1 34.960 23.050 21.200 1.00 0.00 H +ATOM 11 CG2 THR 1 33.110 23.020 23.080 1.00 0.00 C +ATOM 12 1HG2 THR 1 32.490 22.122 22.870 1.00 0.00 H +ATOM 13 2HG2 THR 1 34.144 22.700 23.330 1.00 0.00 H +ATOM 14 3HG2 THR 1 32.612 23.588 23.896 1.00 0.00 H +ATOM 15 C THR 1 30.670 24.250 22.030 1.00 0.00 C +ATOM 16 O THR 1 30.250 25.240 22.640 1.00 0.00 O +ATOM 17 N THR 2 29.980 23.110 22.100 1.00 0.00 N +ATOM 18 HN THR 2 30.268 22.356 21.514 1.00 0.00 H +ATOM 19 CA THR 2 28.650 22.990 22.740 1.00 0.00 C +ATOM 20 HA THR 2 28.132 23.928 22.880 1.00 0.00 H +ATOM 21 CB THR 2 27.650 22.170 21.870 1.00 0.00 C +ATOM 22 HB THR 2 26.632 22.040 22.298 1.00 0.00 H +ATOM 23 OG1 THR 2 27.990 20.830 21.580 1.00 0.00 O +ATOM 24 HG1 THR 2 28.804 20.920 21.078 1.00 0.00 H +ATOM 25 CG2 THR 2 27.490 22.970 20.570 1.00 0.00 C +ATOM 26 1HG2 THR 2 26.768 22.448 19.908 1.00 0.00 H +ATOM 27 2HG2 THR 2 27.220 24.016 20.830 1.00 0.00 H +ATOM 28 3HG2 THR 2 28.448 22.920 20.010 1.00 0.00 H +ATOM 29 C THR 2 28.800 22.410 24.090 1.00 0.00 C +ATOM 30 O THR 2 29.460 21.400 24.280 1.00 0.00 O +ATOM 31 N CYS 3 28.190 23.020 25.140 1.00 0.00 N +ATOM 32 HN CYS 3 27.820 23.942 25.060 1.00 0.00 H +ATOM 33 CA CYS 3 28.360 22.490 26.490 1.00 0.00 C +ATOM 34 HA CYS 3 28.740 21.480 26.500 1.00 0.00 H +ATOM 35 CB CYS 3 29.190 23.360 27.440 1.00 0.00 C +ATOM 36 HB1 CYS 3 28.720 24.310 27.770 1.00 0.00 H +ATOM 37 HB2 CYS 3 29.482 22.818 28.364 1.00 0.00 H +ATOM 38 SG CYS 3 30.800 23.950 26.650 1.00 0.00 S +ATOM 39 C CYS 3 26.930 22.240 27.090 1.00 0.00 C +ATOM 40 O CYS 3 26.170 23.190 27.120 1.00 0.00 O +ATOM 41 N CYS 4 26.670 21.060 27.620 1.00 0.00 N +ATOM 42 HN CYS 4 27.420 20.440 27.840 1.00 0.00 H +ATOM 43 CA CYS 4 25.390 20.650 28.090 1.00 0.00 C +ATOM 44 HA CYS 4 24.718 21.494 28.040 1.00 0.00 H +ATOM 45 CB CYS 4 24.800 19.360 27.330 1.00 0.00 C +ATOM 46 HB1 CYS 4 25.534 18.536 27.460 1.00 0.00 H +ATOM 47 HB2 CYS 4 23.940 18.920 27.880 1.00 0.00 H +ATOM 48 SG CYS 4 24.270 19.740 25.580 1.00 0.00 S +ATOM 49 C CYS 4 25.480 20.280 29.560 1.00 0.00 C +ATOM 50 O CYS 4 26.560 19.910 29.970 1.00 0.00 O +ATOM 51 N PRO 5 24.400 20.580 30.300 1.00 0.00 N +ATOM 52 CD PRO 5 23.160 21.280 29.860 1.00 0.00 C +ATOM 53 HD1 PRO 5 22.700 20.730 29.010 1.00 0.00 H +ATOM 54 HD2 PRO 5 23.458 22.286 29.492 1.00 0.00 H +ATOM 55 CA PRO 5 24.430 20.590 31.790 1.00 0.00 C +ATOM 56 HA PRO 5 25.332 21.070 32.140 1.00 0.00 H +ATOM 57 CB PRO 5 23.320 21.580 32.170 1.00 0.00 C +ATOM 58 HB1 PRO 5 22.882 21.360 33.168 1.00 0.00 H +ATOM 59 HB2 PRO 5 23.680 22.630 32.210 1.00 0.00 H +ATOM 60 CG PRO 5 22.320 21.460 31.100 1.00 0.00 C +ATOM 61 HG1 PRO 5 21.564 20.664 31.270 1.00 0.00 H +ATOM 62 HG2 PRO 5 21.722 22.396 31.060 1.00 0.00 H +ATOM 63 C PRO 5 24.210 19.210 32.340 1.00 0.00 C +ATOM 64 O PRO 5 24.370 19.060 33.610 1.00 0.00 O +ATOM 65 N SER 6 23.780 18.280 31.530 1.00 0.00 N +ATOM 66 HN SER 6 23.460 18.340 30.588 1.00 0.00 H +ATOM 67 CA SER 6 23.440 16.900 31.910 1.00 0.00 C +ATOM 68 HA SER 6 24.132 16.490 32.632 1.00 0.00 H +ATOM 69 CB SER 6 21.980 16.740 32.450 1.00 0.00 C +ATOM 70 HB1 SER 6 21.770 15.760 32.930 1.00 0.00 H +ATOM 71 HB2 SER 6 21.820 17.602 33.132 1.00 0.00 H +ATOM 72 OG SER 6 20.940 16.960 31.450 1.00 0.00 O +ATOM 73 HG1 SER 6 20.516 17.746 31.802 1.00 0.00 H +ATOM 74 C SER 6 23.500 15.980 30.720 1.00 0.00 C +ATOM 75 O SER 6 23.460 16.440 29.550 1.00 0.00 O +ATOM 76 N ILE 7 23.710 14.670 30.990 1.00 0.00 N +ATOM 77 HN ILE 7 23.840 14.248 31.884 1.00 0.00 H +ATOM 78 CA ILE 7 23.770 13.560 29.980 1.00 0.00 C +ATOM 79 HA ILE 7 24.452 13.830 29.188 1.00 0.00 H +ATOM 80 CB ILE 7 24.040 12.220 30.640 1.00 0.00 C +ATOM 81 HB ILE 7 23.358 12.020 31.494 1.00 0.00 H +ATOM 82 CG2 ILE 7 23.880 11.030 29.650 1.00 0.00 C +ATOM 83 1HG2 ILE 7 24.342 10.086 30.012 1.00 0.00 H +ATOM 84 2HG2 ILE 7 22.788 10.870 29.520 1.00 0.00 H +ATOM 85 3HG2 ILE 7 24.210 11.270 28.618 1.00 0.00 H +ATOM 86 CG1 ILE 7 25.490 12.210 31.220 1.00 0.00 C +ATOM 87 1HG1 ILE 7 25.400 12.930 32.060 1.00 0.00 H +ATOM 88 2HG1 ILE 7 25.680 11.252 31.750 1.00 0.00 H +ATOM 89 CD ILE 7 26.680 12.430 30.220 1.00 0.00 C +ATOM 90 HD1 ILE 7 27.592 12.820 30.720 1.00 0.00 H +ATOM 91 HD2 ILE 7 26.932 11.452 29.756 1.00 0.00 H +ATOM 92 HD3 ILE 7 26.322 13.118 29.424 1.00 0.00 H +ATOM 93 C ILE 7 22.450 13.420 29.230 1.00 0.00 C +ATOM 94 O ILE 7 22.510 13.280 28.020 1.00 0.00 O +ATOM 95 N VAL 8 21.290 13.650 29.810 1.00 0.00 N +ATOM 96 HN VAL 8 21.340 13.958 30.756 1.00 0.00 H +ATOM 97 CA VAL 8 20.060 13.570 29.040 1.00 0.00 C +ATOM 98 HA VAL 8 20.220 12.672 28.462 1.00 0.00 H +ATOM 99 CB VAL 8 18.750 13.460 29.800 1.00 0.00 C +ATOM 100 HB VAL 8 18.920 12.678 30.572 1.00 0.00 H +ATOM 101 CG1 VAL 8 18.280 14.670 30.510 1.00 0.00 C +ATOM 102 1HG1 VAL 8 19.116 15.032 31.144 1.00 0.00 H +ATOM 103 2HG1 VAL 8 17.950 15.560 29.930 1.00 0.00 H +ATOM 104 3HG1 VAL 8 17.432 14.380 31.168 1.00 0.00 H +ATOM 105 CG2 VAL 8 17.640 12.850 28.970 1.00 0.00 C +ATOM 106 1HG2 VAL 8 17.440 13.500 28.090 1.00 0.00 H +ATOM 107 2HG2 VAL 8 17.780 11.784 28.688 1.00 0.00 H +ATOM 108 3HG2 VAL 8 16.700 12.910 29.560 1.00 0.00 H +ATOM 109 C VAL 8 19.940 14.840 28.160 1.00 0.00 C +ATOM 110 O VAL 8 19.450 14.730 26.990 1.00 0.00 O +ATOM 111 N ALA 9 20.460 16.070 28.570 1.00 0.00 N +ATOM 112 HN ALA 9 20.858 16.180 29.478 1.00 0.00 H +ATOM 113 CA ALA 9 20.490 17.290 27.760 1.00 0.00 C +ATOM 114 HA ALA 9 19.510 17.410 27.320 1.00 0.00 H +ATOM 115 CB ALA 9 20.870 18.600 28.490 1.00 0.00 C +ATOM 116 HB1 ALA 9 20.940 19.498 27.840 1.00 0.00 H +ATOM 117 HB2 ALA 9 20.160 18.670 29.340 1.00 0.00 H +ATOM 118 HB3 ALA 9 21.858 18.460 28.978 1.00 0.00 H +ATOM 119 C ALA 9 21.330 17.150 26.560 1.00 0.00 C +ATOM 120 O ALA 9 20.980 17.480 25.390 1.00 0.00 O +ATOM 121 N ARG 10 22.530 16.510 26.750 1.00 0.00 N +ATOM 122 HN ARG 10 22.790 16.310 27.692 1.00 0.00 H +ATOM 123 CA ARG 10 23.430 16.100 25.680 1.00 0.00 C +ATOM 124 HA ARG 10 23.670 16.984 25.108 1.00 0.00 H +ATOM 125 CB ARG 10 24.740 15.480 26.230 1.00 0.00 C +ATOM 126 HB1 ARG 10 25.290 16.292 26.750 1.00 0.00 H +ATOM 127 HB2 ARG 10 24.452 14.594 26.836 1.00 0.00 H +ATOM 128 CG ARG 10 25.780 15.030 25.210 1.00 0.00 C +ATOM 129 HG1 ARG 10 26.692 14.670 25.732 1.00 0.00 H +ATOM 130 HG2 ARG 10 25.370 14.170 24.640 1.00 0.00 H +ATOM 131 CD ARG 10 26.160 16.070 24.090 1.00 0.00 C +ATOM 132 HD1 ARG 10 26.860 15.580 23.380 1.00 0.00 H +ATOM 133 HD2 ARG 10 25.194 16.388 23.642 1.00 0.00 H +ATOM 134 NE ARG 10 26.880 17.230 24.820 1.00 0.00 N +ATOM 135 HE ARG 10 27.060 17.180 25.802 1.00 0.00 H +ATOM 136 CZ ARG 10 27.430 18.270 24.240 1.00 0.00 C +ATOM 137 NH1 ARG 10 27.400 18.440 22.930 1.00 0.00 N +ATOM 138 1HH1 ARG 10 26.898 17.728 22.438 1.00 0.00 H +ATOM 139 2HH1 ARG 10 27.630 19.340 22.560 1.00 0.00 H +ATOM 140 NH2 ARG 10 28.120 19.100 25.030 1.00 0.00 N +ATOM 141 1HH2 ARG 10 28.050 18.990 26.022 1.00 0.00 H +ATOM 142 2HH2 ARG 10 28.804 19.774 24.748 1.00 0.00 H +ATOM 143 C ARG 10 22.860 15.010 24.800 1.00 0.00 C +ATOM 144 O ARG 10 23.010 15.030 23.620 1.00 0.00 O +ATOM 145 N SER 11 22.090 14.070 25.310 1.00 0.00 N +ATOM 146 HN SER 11 21.980 14.070 26.300 1.00 0.00 H +ATOM 147 CA SER 11 21.310 13.200 24.420 1.00 0.00 C +ATOM 148 HA SER 11 22.034 12.798 23.726 1.00 0.00 H +ATOM 149 CB SER 11 20.610 11.990 25.120 1.00 0.00 C +ATOM 150 HB1 SER 11 19.874 12.448 25.816 1.00 0.00 H +ATOM 151 HB2 SER 11 20.258 11.308 24.318 1.00 0.00 H +ATOM 152 OG SER 11 21.580 11.240 25.810 1.00 0.00 O +ATOM 153 HG1 SER 11 21.460 11.180 26.760 1.00 0.00 H +ATOM 154 C SER 11 20.290 13.830 23.570 1.00 0.00 C +ATOM 155 O SER 11 20.210 13.620 22.380 1.00 0.00 O +ATOM 156 N ASN 12 19.440 14.690 24.220 1.00 0.00 N +ATOM 157 HN ASN 12 19.520 14.850 25.200 1.00 0.00 H +ATOM 158 CA ASN 12 18.350 15.420 23.580 1.00 0.00 C +ATOM 159 HA ASN 12 17.770 14.680 23.050 1.00 0.00 H +ATOM 160 CB ASN 12 17.490 16.200 24.660 1.00 0.00 C +ATOM 161 HB1 ASN 12 18.192 16.722 25.342 1.00 0.00 H +ATOM 162 HB2 ASN 12 16.924 16.916 24.024 1.00 0.00 H +ATOM 163 CG ASN 12 16.580 15.290 25.340 1.00 0.00 C +ATOM 164 OD1 ASN 12 16.320 14.150 24.940 1.00 0.00 O +ATOM 165 ND2 ASN 12 15.930 15.770 26.410 1.00 0.00 N +ATOM 166 1HD2 ASN 12 16.312 16.614 26.782 1.00 0.00 H +ATOM 167 2HD2 ASN 12 15.344 15.094 26.858 1.00 0.00 H +ATOM 168 C ASN 12 18.980 16.340 22.500 1.00 0.00 C +ATOM 169 O ASN 12 18.410 16.480 21.400 1.00 0.00 O +ATOM 170 N PHE 13 20.140 16.970 22.760 1.00 0.00 N +ATOM 171 HN PHE 13 20.500 16.940 23.690 1.00 0.00 H +ATOM 172 CA PHE 13 20.700 17.920 21.880 1.00 0.00 C +ATOM 173 HA PHE 13 19.906 18.566 21.532 1.00 0.00 H +ATOM 174 CB PHE 13 21.790 18.640 22.730 1.00 0.00 C +ATOM 175 HB1 PHE 13 21.182 19.118 23.528 1.00 0.00 H +ATOM 176 HB2 PHE 13 22.500 17.850 23.060 1.00 0.00 H +ATOM 177 CG PHE 13 22.580 19.700 21.940 1.00 0.00 C +ATOM 178 CD1 PHE 13 22.240 21.060 22.080 1.00 0.00 C +ATOM 179 HD1 PHE 13 21.386 21.392 22.652 1.00 0.00 H +ATOM 180 CE1 PHE 13 23.030 22.030 21.460 1.00 0.00 C +ATOM 181 HE1 PHE 13 22.792 23.074 21.600 1.00 0.00 H +ATOM 182 CZ PHE 13 24.060 21.660 20.620 1.00 0.00 C +ATOM 183 HZ PHE 13 24.578 22.418 20.052 1.00 0.00 H +ATOM 184 CD2 PHE 13 23.650 19.340 21.090 1.00 0.00 C +ATOM 185 HD2 PHE 13 23.840 18.280 21.000 1.00 0.00 H +ATOM 186 CE2 PHE 13 24.330 20.290 20.370 1.00 0.00 C +ATOM 187 HE2 PHE 13 25.120 20.090 19.660 1.00 0.00 H +ATOM 188 C PHE 13 21.190 17.180 20.610 1.00 0.00 C +ATOM 189 O PHE 13 21.020 17.620 19.510 1.00 0.00 O +ATOM 190 N ASN 14 21.660 15.900 20.860 1.00 0.00 N +ATOM 191 HN ASN 14 21.900 15.610 21.782 1.00 0.00 H +ATOM 192 CA ASN 14 22.060 15.050 19.770 1.00 0.00 C +ATOM 193 HA ASN 14 22.700 15.620 19.110 1.00 0.00 H +ATOM 194 CB ASN 14 22.820 13.730 20.230 1.00 0.00 C +ATOM 195 HB1 ASN 14 22.252 13.292 21.078 1.00 0.00 H +ATOM 196 HB2 ASN 14 23.060 12.948 19.478 1.00 0.00 H +ATOM 197 CG ASN 14 24.250 14.090 20.730 1.00 0.00 C +ATOM 198 OD1 ASN 14 24.660 15.220 20.550 1.00 0.00 O +ATOM 199 ND2 ASN 14 24.940 13.130 21.330 1.00 0.00 N +ATOM 200 1HD2 ASN 14 24.478 12.246 21.390 1.00 0.00 H +ATOM 201 2HD2 ASN 14 25.816 13.290 21.788 1.00 0.00 H +ATOM 202 C ASN 14 20.860 14.670 18.920 1.00 0.00 C +ATOM 203 O ASN 14 20.950 14.720 17.710 1.00 0.00 O +ATOM 204 N VAL 15 19.690 14.310 19.470 1.00 0.00 N +ATOM 205 HN VAL 15 19.600 14.330 20.462 1.00 0.00 H +ATOM 206 CA VAL 15 18.460 13.940 18.860 1.00 0.00 C +ATOM 207 HA VAL 15 18.810 13.198 18.158 1.00 0.00 H +ATOM 208 CB VAL 15 17.500 13.360 19.850 1.00 0.00 C +ATOM 209 HB VAL 15 17.570 14.066 20.706 1.00 0.00 H +ATOM 210 CG1 VAL 15 16.020 13.310 19.310 1.00 0.00 C +ATOM 211 1HG1 VAL 15 15.602 14.276 19.668 1.00 0.00 H +ATOM 212 2HG1 VAL 15 15.900 13.300 18.206 1.00 0.00 H +ATOM 213 3HG1 VAL 15 15.542 12.404 19.738 1.00 0.00 H +ATOM 214 CG2 VAL 15 17.950 12.000 20.420 1.00 0.00 C +ATOM 215 1HG2 VAL 15 17.262 11.650 21.218 1.00 0.00 H +ATOM 216 2HG2 VAL 15 17.900 11.220 19.630 1.00 0.00 H +ATOM 217 3HG2 VAL 15 18.956 12.200 20.848 1.00 0.00 H +ATOM 218 C VAL 15 17.860 15.190 18.060 1.00 0.00 C +ATOM 219 O VAL 15 17.250 15.120 16.980 1.00 0.00 O +ATOM 220 N CYS 16 18.020 16.410 18.590 1.00 0.00 N +ATOM 221 HN CYS 16 18.606 16.532 19.388 1.00 0.00 H +ATOM 222 CA CYS 16 17.750 17.660 17.950 1.00 0.00 C +ATOM 223 HA CYS 16 16.694 17.650 17.728 1.00 0.00 H +ATOM 224 CB CYS 16 17.950 18.890 18.930 1.00 0.00 C +ATOM 225 HB1 CYS 16 17.332 18.600 19.808 1.00 0.00 H +ATOM 226 HB2 CYS 16 18.982 18.900 19.340 1.00 0.00 H +ATOM 227 SG CYS 16 17.600 20.610 18.360 1.00 0.00 S +ATOM 228 C CYS 16 18.510 17.910 16.740 1.00 0.00 C +ATOM 229 O CYS 16 17.860 18.520 15.840 1.00 0.00 O +ATOM 230 N ARG 17 19.820 17.550 16.630 1.00 0.00 N +ATOM 231 HN ARG 17 20.188 17.112 17.446 1.00 0.00 H +ATOM 232 CA ARG 17 20.750 17.880 15.570 1.00 0.00 C +ATOM 233 HA ARG 17 20.538 18.826 15.096 1.00 0.00 H +ATOM 234 CB ARG 17 22.200 18.010 16.130 1.00 0.00 C +ATOM 235 HB1 ARG 17 22.472 17.224 16.866 1.00 0.00 H +ATOM 236 HB2 ARG 17 22.868 17.860 15.254 1.00 0.00 H +ATOM 237 CG ARG 17 22.520 19.350 16.820 1.00 0.00 C +ATOM 238 HG1 ARG 17 21.686 19.592 17.514 1.00 0.00 H +ATOM 239 HG2 ARG 17 23.418 19.140 17.440 1.00 0.00 H +ATOM 240 CD ARG 17 22.680 20.580 15.930 1.00 0.00 C +ATOM 241 HD1 ARG 17 21.806 20.778 15.274 1.00 0.00 H +ATOM 242 HD2 ARG 17 22.780 21.522 16.510 1.00 0.00 H +ATOM 243 NE ARG 17 23.970 20.450 15.180 1.00 0.00 N +ATOM 244 HE ARG 17 24.588 19.792 15.610 1.00 0.00 H +ATOM 245 CZ ARG 17 24.400 20.860 13.980 1.00 0.00 C +ATOM 246 NH1 ARG 17 23.600 21.550 13.200 1.00 0.00 N +ATOM 247 1HH1 ARG 17 22.650 21.770 13.420 1.00 0.00 H +ATOM 248 2HH1 ARG 17 24.032 21.862 12.354 1.00 0.00 H +ATOM 249 NH2 ARG 17 25.620 20.650 13.610 1.00 0.00 N +ATOM 250 1HH2 ARG 17 26.244 20.352 14.334 1.00 0.00 H +ATOM 251 2HH2 ARG 17 25.902 20.972 12.706 1.00 0.00 H +ATOM 252 C ARG 17 20.670 16.950 14.400 1.00 0.00 C +ATOM 253 O ARG 17 21.170 17.380 13.320 1.00 0.00 O +ATOM 254 N LEU 18 20.110 15.750 14.520 1.00 0.00 N +ATOM 255 HN LEU 18 19.838 15.318 15.376 1.00 0.00 H +ATOM 256 CA LEU 18 19.970 14.800 13.370 1.00 0.00 C +ATOM 257 HA LEU 18 20.980 14.480 13.160 1.00 0.00 H +ATOM 258 CB LEU 18 19.250 13.500 13.850 1.00 0.00 C +ATOM 259 HB1 LEU 18 18.322 13.820 14.370 1.00 0.00 H +ATOM 260 HB2 LEU 18 18.982 12.962 12.914 1.00 0.00 H +ATOM 261 CG LEU 18 20.030 12.720 14.970 1.00 0.00 C +ATOM 262 HG LEU 18 20.340 13.508 15.688 1.00 0.00 H +ATOM 263 CD1 LEU 18 19.120 11.730 15.650 1.00 0.00 C +ATOM 264 1HD1 LEU 18 19.668 11.032 16.318 1.00 0.00 H +ATOM 265 2HD1 LEU 18 18.246 12.162 16.182 1.00 0.00 H +ATOM 266 3HD1 LEU 18 18.790 10.990 14.890 1.00 0.00 H +ATOM 267 CD2 LEU 18 21.240 11.940 14.400 1.00 0.00 C +ATOM 268 1HD2 LEU 18 20.880 11.192 13.662 1.00 0.00 H +ATOM 269 2HD2 LEU 18 22.046 12.568 13.962 1.00 0.00 H +ATOM 270 3HD2 LEU 18 21.740 11.270 15.130 1.00 0.00 H +ATOM 271 C LEU 18 19.410 15.350 12.090 1.00 0.00 C +ATOM 272 O LEU 18 19.960 15.010 11.060 1.00 0.00 O +ATOM 273 N PRO 19 18.340 16.150 12.040 1.00 0.00 N +ATOM 274 CD PRO 19 17.420 16.410 13.150 1.00 0.00 C +ATOM 275 HD1 PRO 19 17.900 16.850 14.050 1.00 0.00 H +ATOM 276 HD2 PRO 19 16.882 15.492 13.470 1.00 0.00 H +ATOM 277 CA PRO 19 17.710 16.610 10.790 1.00 0.00 C +ATOM 278 HA PRO 19 17.850 15.832 10.052 1.00 0.00 H +ATOM 279 CB PRO 19 16.290 16.940 11.120 1.00 0.00 C +ATOM 280 HB1 PRO 19 15.810 17.638 10.402 1.00 0.00 H +ATOM 281 HB2 PRO 19 15.810 15.940 11.070 1.00 0.00 H +ATOM 282 CG PRO 19 16.430 17.380 12.570 1.00 0.00 C +ATOM 283 HG1 PRO 19 16.840 18.412 12.550 1.00 0.00 H +ATOM 284 HG2 PRO 19 15.412 17.490 13.000 1.00 0.00 H +ATOM 285 C PRO 19 18.450 17.900 10.280 1.00 0.00 C +ATOM 286 O PRO 19 17.940 18.430 9.290 1.00 0.00 O +ATOM 287 N GLY 20 19.590 18.210 10.870 1.00 0.00 N +ATOM 288 HN GLY 20 19.870 17.700 11.680 1.00 0.00 H +ATOM 289 CA GLY 20 20.310 19.380 10.450 1.00 0.00 C +ATOM 290 HA1 GLY 20 21.354 19.140 10.590 1.00 0.00 H +ATOM 291 HA2 GLY 20 19.980 19.620 9.450 1.00 0.00 H +ATOM 292 C GLY 20 19.950 20.700 11.210 1.00 0.00 C +ATOM 293 O GLY 20 20.380 21.790 10.790 1.00 0.00 O +ATOM 294 N THR 21 19.260 20.660 12.410 1.00 0.00 N +ATOM 295 HN THR 21 19.038 19.784 12.832 1.00 0.00 H +ATOM 296 CA THR 21 18.850 21.820 13.160 1.00 0.00 C +ATOM 297 HA THR 21 18.274 22.456 12.504 1.00 0.00 H +ATOM 298 CB THR 21 18.020 21.360 14.390 1.00 0.00 C +ATOM 299 HB THR 21 18.760 20.890 15.070 1.00 0.00 H +ATOM 300 OG1 THR 21 17.110 20.370 14.090 1.00 0.00 O +ATOM 301 HG1 THR 21 17.310 19.626 14.662 1.00 0.00 H +ATOM 302 CG2 THR 21 17.280 22.490 15.140 1.00 0.00 C +ATOM 303 1HG2 THR 21 17.960 23.210 15.640 1.00 0.00 H +ATOM 304 2HG2 THR 21 16.766 23.134 14.396 1.00 0.00 H +ATOM 305 3HG2 THR 21 16.582 22.010 15.858 1.00 0.00 H +ATOM 306 C THR 21 19.990 22.790 13.620 1.00 0.00 C +ATOM 307 O THR 21 21.130 22.440 13.670 1.00 0.00 O +ATOM 308 N SER 22 19.630 24.060 13.830 1.00 0.00 N +ATOM 309 HN SER 22 18.742 24.400 13.530 1.00 0.00 H +ATOM 310 CA SER 22 20.510 25.090 14.320 1.00 0.00 C +ATOM 311 HA SER 22 21.314 25.180 13.606 1.00 0.00 H +ATOM 312 CB SER 22 19.790 26.460 14.290 1.00 0.00 C +ATOM 313 HB1 SER 22 19.460 26.630 13.242 1.00 0.00 H +ATOM 314 HB2 SER 22 18.912 26.400 14.968 1.00 0.00 H +ATOM 315 OG SER 22 20.720 27.420 14.850 1.00 0.00 O +ATOM 316 HG1 SER 22 21.272 27.650 14.098 1.00 0.00 H +ATOM 317 C SER 22 20.960 24.770 15.780 1.00 0.00 C +ATOM 318 O SER 22 20.170 24.320 16.590 1.00 0.00 O +ATOM 319 N GLU 23 22.230 25.020 16.080 1.00 0.00 N +ATOM 320 HN GLU 23 22.758 25.300 15.282 1.00 0.00 H +ATOM 321 CA GLU 23 22.900 24.770 17.340 1.00 0.00 C +ATOM 322 HA GLU 23 22.650 23.734 17.520 1.00 0.00 H +ATOM 323 CB GLU 23 24.480 25.000 17.290 1.00 0.00 C +ATOM 324 HB1 GLU 23 24.800 25.998 16.920 1.00 0.00 H +ATOM 325 HB2 GLU 23 24.938 24.860 18.294 1.00 0.00 H +ATOM 326 CG GLU 23 25.220 23.870 16.520 1.00 0.00 C +ATOM 327 HG1 GLU 23 24.752 22.882 16.720 1.00 0.00 H +ATOM 328 HG2 GLU 23 25.190 24.070 15.428 1.00 0.00 H +ATOM 329 CD GLU 23 26.740 23.850 16.780 1.00 0.00 C +ATOM 330 OE1 GLU 23 27.370 24.950 16.930 1.00 0.00 O +ATOM 331 OE2 GLU 23 27.300 22.730 16.890 1.00 0.00 O +ATOM 332 C GLU 23 22.280 25.620 18.390 1.00 0.00 C +ATOM 333 O GLU 23 21.920 25.060 19.410 1.00 0.00 O +ATOM 334 N ALA 24 22.070 27.010 18.160 1.00 0.00 N +ATOM 335 HN ALA 24 22.240 27.488 17.302 1.00 0.00 H +ATOM 336 CA ALA 24 21.370 27.870 19.020 1.00 0.00 C +ATOM 337 HA ALA 24 21.870 28.040 19.962 1.00 0.00 H +ATOM 338 CB ALA 24 21.230 29.210 18.370 1.00 0.00 C +ATOM 339 HB1 ALA 24 20.690 29.150 17.400 1.00 0.00 H +ATOM 340 HB2 ALA 24 20.648 29.912 19.002 1.00 0.00 H +ATOM 341 HB3 ALA 24 22.196 29.708 18.140 1.00 0.00 H +ATOM 342 C ALA 24 19.920 27.390 19.330 1.00 0.00 C +ATOM 343 O ALA 24 19.570 27.430 20.520 1.00 0.00 O +ATOM 344 N ILE 25 19.140 26.920 18.350 1.00 0.00 N +ATOM 345 HN ILE 25 19.388 27.060 17.394 1.00 0.00 H +ATOM 346 CA ILE 25 17.810 26.360 18.500 1.00 0.00 C +ATOM 347 HA ILE 25 17.268 27.092 19.082 1.00 0.00 H +ATOM 348 CB ILE 25 17.110 26.210 17.060 1.00 0.00 C +ATOM 349 HB ILE 25 17.736 25.486 16.494 1.00 0.00 H +ATOM 350 CG2 ILE 25 15.740 25.550 17.140 1.00 0.00 C +ATOM 351 1HG2 ILE 25 15.840 24.464 17.360 1.00 0.00 H +ATOM 352 2HG2 ILE 25 15.138 26.012 17.952 1.00 0.00 H +ATOM 353 3HG2 ILE 25 15.268 25.610 16.136 1.00 0.00 H +ATOM 354 CG1 ILE 25 17.020 27.620 16.380 1.00 0.00 C +ATOM 355 1HG1 ILE 25 16.620 28.290 17.170 1.00 0.00 H +ATOM 356 2HG1 ILE 25 18.054 28.018 16.280 1.00 0.00 H +ATOM 357 CD ILE 25 16.170 27.730 15.140 1.00 0.00 C +ATOM 358 HD1 ILE 25 16.290 26.798 14.548 1.00 0.00 H +ATOM 359 HD2 ILE 25 15.098 27.740 15.430 1.00 0.00 H +ATOM 360 HD3 ILE 25 16.552 28.594 14.556 1.00 0.00 H +ATOM 361 C ILE 25 17.840 25.100 19.330 1.00 0.00 C +ATOM 362 O ILE 25 17.150 24.910 20.320 1.00 0.00 O +ATOM 363 N CYS 26 18.830 24.230 19.160 1.00 0.00 N +ATOM 364 HN CYS 26 19.480 24.490 18.450 1.00 0.00 H +ATOM 365 CA CYS 26 19.050 23.040 19.980 1.00 0.00 C +ATOM 366 HA CYS 26 18.104 22.522 20.050 1.00 0.00 H +ATOM 367 CB CYS 26 20.170 22.070 19.400 1.00 0.00 C +ATOM 368 HB1 CYS 26 21.078 22.630 19.090 1.00 0.00 H +ATOM 369 HB2 CYS 26 20.320 21.282 20.168 1.00 0.00 H +ATOM 370 SG CYS 26 19.570 21.350 17.890 1.00 0.00 S +ATOM 371 C CYS 26 19.410 23.340 21.410 1.00 0.00 C +ATOM 372 O CYS 26 18.890 22.700 22.330 1.00 0.00 O +ATOM 373 N ALA 27 20.220 24.350 21.660 1.00 0.00 N +ATOM 374 HN ALA 27 20.722 24.822 20.938 1.00 0.00 H +ATOM 375 CA ALA 27 20.720 24.740 22.900 1.00 0.00 C +ATOM 376 HA ALA 27 21.112 23.886 23.432 1.00 0.00 H +ATOM 377 CB ALA 27 21.850 25.760 22.790 1.00 0.00 C +ATOM 378 HB1 ALA 27 22.300 26.020 23.772 1.00 0.00 H +ATOM 379 HB2 ALA 27 22.696 25.580 22.092 1.00 0.00 H +ATOM 380 HB3 ALA 27 21.450 26.740 22.450 1.00 0.00 H +ATOM 381 C ALA 27 19.610 25.190 23.820 1.00 0.00 C +ATOM 382 O ALA 27 19.370 24.730 24.920 1.00 0.00 O +ATOM 383 N THR 28 18.770 26.110 23.320 1.00 0.00 N +ATOM 384 HN THR 28 19.060 26.390 22.408 1.00 0.00 H +ATOM 385 CA THR 28 17.590 26.630 23.940 1.00 0.00 C +ATOM 386 HA THR 28 17.938 27.158 24.816 1.00 0.00 H +ATOM 387 CB THR 28 16.940 27.820 23.200 1.00 0.00 C +ATOM 388 HB THR 28 15.954 28.128 23.608 1.00 0.00 H +ATOM 389 OG1 THR 28 16.770 27.450 21.840 1.00 0.00 O +ATOM 390 HG1 THR 28 17.680 27.520 21.540 1.00 0.00 H +ATOM 391 CG2 THR 28 17.820 29.080 23.240 1.00 0.00 C +ATOM 392 1HG2 THR 28 17.820 29.470 24.280 1.00 0.00 H +ATOM 393 2HG2 THR 28 18.886 28.920 22.970 1.00 0.00 H +ATOM 394 3HG2 THR 28 17.528 29.852 22.498 1.00 0.00 H +ATOM 395 C THR 28 16.450 25.710 24.420 1.00 0.00 C +ATOM 396 O THR 28 15.940 25.690 25.550 1.00 0.00 O +ATOM 397 N TYR 29 16.170 24.810 23.470 1.00 0.00 N +ATOM 398 HN TYR 29 16.540 24.900 22.548 1.00 0.00 H +ATOM 399 CA TYR 29 15.320 23.640 23.610 1.00 0.00 C +ATOM 400 HA TYR 29 14.386 24.022 23.992 1.00 0.00 H +ATOM 401 CB TYR 29 15.080 23.040 22.210 1.00 0.00 C +ATOM 402 HB1 TYR 29 14.620 23.880 21.650 1.00 0.00 H +ATOM 403 HB2 TYR 29 16.046 22.692 21.782 1.00 0.00 H +ATOM 404 CG TYR 29 14.020 21.920 22.240 1.00 0.00 C +ATOM 405 CD1 TYR 29 12.740 22.170 22.710 1.00 0.00 C +ATOM 406 HD1 TYR 29 12.480 23.162 23.050 1.00 0.00 H +ATOM 407 CE1 TYR 29 11.750 21.230 22.590 1.00 0.00 C +ATOM 408 HE1 TYR 29 10.794 21.390 23.068 1.00 0.00 H +ATOM 409 CZ TYR 29 12.000 19.980 22.200 1.00 0.00 C +ATOM 410 OH TYR 29 11.050 18.930 22.470 1.00 0.00 O +ATOM 411 HH TYR 29 11.540 18.112 22.360 1.00 0.00 H +ATOM 412 CD2 TYR 29 14.340 20.680 21.750 1.00 0.00 C +ATOM 413 HD2 TYR 29 15.322 20.350 21.450 1.00 0.00 H +ATOM 414 CE2 TYR 29 13.320 19.660 21.710 1.00 0.00 C +ATOM 415 HE2 TYR 29 13.540 18.678 21.320 1.00 0.00 H +ATOM 416 C TYR 29 15.710 22.730 24.700 1.00 0.00 C +ATOM 417 O TYR 29 14.930 22.280 25.530 1.00 0.00 O +ATOM 418 N THR 30 17.050 22.460 24.760 1.00 0.00 N +ATOM 419 HN THR 30 17.690 22.860 24.110 1.00 0.00 H +ATOM 420 CA THR 30 17.520 21.380 25.640 1.00 0.00 C +ATOM 421 HA THR 30 16.748 20.888 26.212 1.00 0.00 H +ATOM 422 CB THR 30 18.330 20.310 24.870 1.00 0.00 C +ATOM 423 HB THR 30 18.790 19.528 25.512 1.00 0.00 H +ATOM 424 OG1 THR 30 19.430 20.960 24.320 1.00 0.00 O +ATOM 425 HG1 THR 30 19.152 21.368 23.496 1.00 0.00 H +ATOM 426 CG2 THR 30 17.510 19.580 23.750 1.00 0.00 C +ATOM 427 1HG2 THR 30 17.140 20.320 23.010 1.00 0.00 H +ATOM 428 2HG2 THR 30 18.178 18.892 23.190 1.00 0.00 H +ATOM 429 3HG2 THR 30 16.628 18.970 24.040 1.00 0.00 H +ATOM 430 C THR 30 18.320 21.840 26.860 1.00 0.00 C +ATOM 431 O THR 30 18.520 21.020 27.800 1.00 0.00 O +ATOM 432 N GLY 31 18.730 23.130 26.920 1.00 0.00 N +ATOM 433 HN GLY 31 18.700 23.760 26.148 1.00 0.00 H +ATOM 434 CA GLY 31 19.400 23.580 28.130 1.00 0.00 C +ATOM 435 HA1 GLY 31 19.062 24.586 28.330 1.00 0.00 H +ATOM 436 HA2 GLY 31 19.270 22.958 29.002 1.00 0.00 H +ATOM 437 C GLY 31 20.870 23.710 28.060 1.00 0.00 C +ATOM 438 O GLY 31 21.550 23.890 29.040 1.00 0.00 O +ATOM 439 N CYS 32 21.410 23.520 26.900 1.00 0.00 N +ATOM 440 HN CYS 32 20.910 23.490 26.038 1.00 0.00 H +ATOM 441 CA CYS 32 22.840 23.580 26.710 1.00 0.00 C +ATOM 442 HA CYS 32 23.454 23.248 27.534 1.00 0.00 H +ATOM 443 CB CYS 32 23.310 22.740 25.590 1.00 0.00 C +ATOM 444 HB1 CYS 32 23.020 23.232 24.638 1.00 0.00 H +ATOM 445 HB2 CYS 32 24.418 22.680 25.630 1.00 0.00 H +ATOM 446 SG CYS 32 22.600 21.000 25.670 1.00 0.00 S +ATOM 447 C CYS 32 23.250 25.060 26.570 1.00 0.00 C +ATOM 448 O CYS 32 22.390 25.970 26.440 1.00 0.00 O +ATOM 449 N ILE 33 24.530 25.300 26.460 1.00 0.00 N +ATOM 450 HN ILE 33 25.164 24.574 26.712 1.00 0.00 H +ATOM 451 CA ILE 33 25.140 26.570 26.120 1.00 0.00 C +ATOM 452 HA ILE 33 24.410 27.250 25.710 1.00 0.00 H +ATOM 453 CB ILE 33 25.780 27.200 27.310 1.00 0.00 C +ATOM 454 HB ILE 33 26.148 28.156 26.882 1.00 0.00 H +ATOM 455 CG2 ILE 33 24.610 27.700 28.160 1.00 0.00 C +ATOM 456 1HG2 ILE 33 23.782 28.150 27.572 1.00 0.00 H +ATOM 457 2HG2 ILE 33 24.154 26.806 28.636 1.00 0.00 H +ATOM 458 3HG2 ILE 33 25.000 28.300 29.010 1.00 0.00 H +ATOM 459 CG1 ILE 33 26.830 26.500 28.150 1.00 0.00 C +ATOM 460 1HG1 ILE 33 26.428 25.858 28.962 1.00 0.00 H +ATOM 461 2HG1 ILE 33 27.402 25.858 27.448 1.00 0.00 H +ATOM 462 CD ILE 33 27.800 27.440 28.830 1.00 0.00 C +ATOM 463 HD1 ILE 33 28.412 26.838 29.534 1.00 0.00 H +ATOM 464 HD2 ILE 33 28.402 27.992 28.078 1.00 0.00 H +ATOM 465 HD3 ILE 33 27.280 28.200 29.450 1.00 0.00 H +ATOM 466 C ILE 33 26.150 26.270 24.950 1.00 0.00 C +ATOM 467 O ILE 33 26.600 25.180 24.650 1.00 0.00 O +ATOM 468 N ILE 34 26.600 27.410 24.200 1.00 0.00 N +ATOM 469 HN ILE 34 26.210 28.328 24.220 1.00 0.00 H +ATOM 470 CA ILE 34 27.540 27.340 23.100 1.00 0.00 C +ATOM 471 HA ILE 34 27.850 26.332 22.870 1.00 0.00 H +ATOM 472 CB ILE 34 27.050 27.870 21.780 1.00 0.00 C +ATOM 473 HB ILE 34 26.742 28.934 21.870 1.00 0.00 H +ATOM 474 CG2 ILE 34 28.230 27.900 20.800 1.00 0.00 C +ATOM 475 1HG2 ILE 34 28.692 26.894 20.720 1.00 0.00 H +ATOM 476 2HG2 ILE 34 27.752 28.208 19.844 1.00 0.00 H +ATOM 477 3HG2 ILE 34 29.104 28.574 20.920 1.00 0.00 H +ATOM 478 CG1 ILE 34 25.850 27.130 21.240 1.00 0.00 C +ATOM 479 1HG1 ILE 34 26.138 26.086 20.992 1.00 0.00 H +ATOM 480 2HG1 ILE 34 25.122 27.140 22.078 1.00 0.00 H +ATOM 481 CD ILE 34 25.250 27.830 19.990 1.00 0.00 C +ATOM 482 HD1 ILE 34 24.354 27.222 19.740 1.00 0.00 H +ATOM 483 HD2 ILE 34 25.060 28.914 20.140 1.00 0.00 H +ATOM 484 HD3 ILE 34 25.910 27.900 19.100 1.00 0.00 H +ATOM 485 C ILE 34 28.650 28.230 23.480 1.00 0.00 C +ATOM 486 O ILE 34 28.430 29.390 23.800 1.00 0.00 O +ATOM 487 N ILE 35 29.830 27.700 23.480 1.00 0.00 N +ATOM 488 HN ILE 35 29.940 26.710 23.540 1.00 0.00 H +ATOM 489 CA ILE 35 31.040 28.470 23.840 1.00 0.00 C +ATOM 490 HA ILE 35 30.750 29.450 24.190 1.00 0.00 H +ATOM 491 CB ILE 35 31.930 27.840 24.930 1.00 0.00 C +ATOM 492 HB ILE 35 32.830 28.470 25.090 1.00 0.00 H +ATOM 493 CG2 ILE 35 31.280 28.000 26.350 1.00 0.00 C +ATOM 494 1HG2 ILE 35 31.998 27.602 27.098 1.00 0.00 H +ATOM 495 2HG2 ILE 35 31.160 29.090 26.530 1.00 0.00 H +ATOM 496 3HG2 ILE 35 30.312 27.472 26.490 1.00 0.00 H +ATOM 497 CG1 ILE 35 32.490 26.420 24.570 1.00 0.00 C +ATOM 498 1HG1 ILE 35 31.602 25.762 24.690 1.00 0.00 H +ATOM 499 2HG1 ILE 35 32.832 26.460 23.514 1.00 0.00 H +ATOM 500 CD ILE 35 33.610 25.960 25.500 1.00 0.00 C +ATOM 501 HD1 ILE 35 34.240 26.840 25.750 1.00 0.00 H +ATOM 502 HD2 ILE 35 33.260 25.660 26.510 1.00 0.00 H +ATOM 503 HD3 ILE 35 34.180 25.120 25.050 1.00 0.00 H +ATOM 504 C ILE 35 31.900 28.710 22.620 1.00 0.00 C +ATOM 505 O ILE 35 32.140 27.790 21.820 1.00 0.00 O +ATOM 506 N PRO 36 32.450 29.910 22.320 1.00 0.00 N +ATOM 507 CD PRO 36 32.220 31.120 23.120 1.00 0.00 C +ATOM 508 HD1 PRO 36 32.450 30.860 24.176 1.00 0.00 H +ATOM 509 HD2 PRO 36 31.158 31.440 23.080 1.00 0.00 H +ATOM 510 CA PRO 36 33.310 30.170 21.170 1.00 0.00 C +ATOM 511 HA PRO 36 32.850 29.640 20.350 1.00 0.00 H +ATOM 512 CB PRO 36 33.290 31.760 21.100 1.00 0.00 C +ATOM 513 HB1 PRO 36 34.228 32.210 20.710 1.00 0.00 H +ATOM 514 HB2 PRO 36 32.374 32.012 20.526 1.00 0.00 H +ATOM 515 CG PRO 36 32.990 32.240 22.510 1.00 0.00 C +ATOM 516 HG1 PRO 36 33.934 32.350 23.082 1.00 0.00 H +ATOM 517 HG2 PRO 36 32.384 33.166 22.400 1.00 0.00 H +ATOM 518 C PRO 36 34.650 29.560 21.430 1.00 0.00 C +ATOM 519 O PRO 36 35.330 29.270 20.440 1.00 0.00 O +ATOM 520 N GLY 37 35.050 29.290 22.710 1.00 0.00 N +ATOM 521 HN GLY 37 34.522 29.470 23.536 1.00 0.00 H +ATOM 522 CA GLY 37 36.260 28.700 23.170 1.00 0.00 C +ATOM 523 HA1 GLY 37 37.148 29.060 22.672 1.00 0.00 H +ATOM 524 HA2 GLY 37 36.190 28.950 24.218 1.00 0.00 H +ATOM 525 C GLY 37 36.170 27.220 23.120 1.00 0.00 C +ATOM 526 O GLY 37 35.240 26.650 22.580 1.00 0.00 O +ATOM 527 N ALA 38 37.190 26.470 23.700 1.00 0.00 N +ATOM 528 HN ALA 38 37.932 26.830 24.260 1.00 0.00 H +ATOM 529 CA ALA 38 37.230 25.040 23.610 1.00 0.00 C +ATOM 530 HA ALA 38 36.554 24.612 22.884 1.00 0.00 H +ATOM 531 CB ALA 38 38.630 24.550 23.140 1.00 0.00 C +ATOM 532 HB1 ALA 38 38.730 23.444 23.150 1.00 0.00 H +ATOM 533 HB2 ALA 38 38.620 24.872 22.076 1.00 0.00 H +ATOM 534 HB3 ALA 38 39.504 24.952 23.694 1.00 0.00 H +ATOM 535 C ALA 38 36.860 24.420 24.980 1.00 0.00 C +ATOM 536 O ALA 38 36.600 23.160 25.110 1.00 0.00 O +ATOM 537 N THR 39 36.930 25.200 26.020 1.00 0.00 N +ATOM 538 HN THR 39 37.178 26.162 25.930 1.00 0.00 H +ATOM 539 CA THR 39 36.830 24.710 27.360 1.00 0.00 C +ATOM 540 HA THR 39 36.992 23.644 27.390 1.00 0.00 H +ATOM 541 CB THR 39 37.770 25.370 28.290 1.00 0.00 C +ATOM 542 HB THR 39 37.410 26.342 28.690 1.00 0.00 H +ATOM 543 OG1 THR 39 39.050 25.580 27.660 1.00 0.00 O +ATOM 544 HG1 THR 39 39.698 25.780 28.338 1.00 0.00 H +ATOM 545 CG2 THR 39 38.000 24.570 29.610 1.00 0.00 C +ATOM 546 1HG2 THR 39 38.686 25.158 30.258 1.00 0.00 H +ATOM 547 2HG2 THR 39 37.102 24.480 30.258 1.00 0.00 H +ATOM 548 3HG2 THR 39 38.484 23.624 29.288 1.00 0.00 H +ATOM 549 C THR 39 35.450 24.910 27.920 1.00 0.00 C +ATOM 550 O THR 39 34.990 26.010 28.200 1.00 0.00 O +ATOM 551 N CYS 40 34.650 23.820 28.040 1.00 0.00 N +ATOM 552 HN CYS 40 34.982 22.936 27.718 1.00 0.00 H +ATOM 553 CA CYS 40 33.350 23.770 28.790 1.00 0.00 C +ATOM 554 HA CYS 40 32.752 24.548 28.340 1.00 0.00 H +ATOM 555 CB CYS 40 32.550 22.430 28.540 1.00 0.00 C +ATOM 556 HB1 CYS 40 33.208 21.592 28.858 1.00 0.00 H +ATOM 557 HB2 CYS 40 31.614 22.400 29.138 1.00 0.00 H +ATOM 558 SG CYS 40 32.060 22.290 26.800 1.00 0.00 S +ATOM 559 C CYS 40 33.450 24.020 30.270 1.00 0.00 C +ATOM 560 O CYS 40 34.410 23.570 30.880 1.00 0.00 O +ATOM 561 N PRO 41 32.490 24.740 30.930 1.00 0.00 N +ATOM 562 CD PRO 41 31.490 25.600 30.240 1.00 0.00 C +ATOM 563 HD1 PRO 41 30.824 25.102 29.504 1.00 0.00 H +ATOM 564 HD2 PRO 41 32.030 26.310 29.580 1.00 0.00 H +ATOM 565 CA PRO 41 32.810 25.160 32.290 1.00 0.00 C +ATOM 566 HA PRO 41 33.858 25.250 32.540 1.00 0.00 H +ATOM 567 CB PRO 41 31.820 26.370 32.480 1.00 0.00 C +ATOM 568 HB1 PRO 41 31.500 26.490 33.538 1.00 0.00 H +ATOM 569 HB2 PRO 41 32.300 27.340 32.230 1.00 0.00 H +ATOM 570 CG PRO 41 30.740 26.190 31.430 1.00 0.00 C +ATOM 571 HG1 PRO 41 30.000 25.460 31.820 1.00 0.00 H +ATOM 572 HG2 PRO 41 30.260 27.172 31.230 1.00 0.00 H +ATOM 573 C PRO 41 32.320 24.000 33.300 1.00 0.00 C +ATOM 574 O PRO 41 31.760 23.020 32.850 1.00 0.00 O +ATOM 575 N GLY 42 32.360 24.160 34.660 1.00 0.00 N +ATOM 576 HN GLY 42 32.762 24.994 35.032 1.00 0.00 H +ATOM 577 CA GLY 42 32.130 23.050 35.640 1.00 0.00 C +ATOM 578 HA1 GLY 42 32.616 22.166 35.252 1.00 0.00 H +ATOM 579 HA2 GLY 42 32.330 23.300 36.670 1.00 0.00 H +ATOM 580 C GLY 42 30.630 22.770 35.690 1.00 0.00 C +ATOM 581 O GLY 42 30.230 21.650 35.930 1.00 0.00 O +ATOM 582 N ASP 43 29.750 23.730 35.460 1.00 0.00 N +ATOM 583 HN ASP 43 30.070 24.670 35.360 1.00 0.00 H +ATOM 584 CA ASP 43 28.300 23.570 35.550 1.00 0.00 C +ATOM 585 HA ASP 43 28.160 22.690 36.160 1.00 0.00 H +ATOM 586 CB ASP 43 27.670 24.870 36.260 1.00 0.00 C +ATOM 587 HB1 ASP 43 26.588 24.710 36.060 1.00 0.00 H +ATOM 588 HB2 ASP 43 27.952 24.678 37.316 1.00 0.00 H +ATOM 589 CG ASP 43 28.100 26.160 35.720 1.00 0.00 C +ATOM 590 OD1 ASP 43 29.230 26.340 35.160 1.00 0.00 O +ATOM 591 OD2 ASP 43 27.350 27.100 36.040 1.00 0.00 O +ATOM 592 C ASP 43 27.770 23.080 34.160 1.00 0.00 C +ATOM 593 O ASP 43 26.560 23.000 33.910 1.00 0.00 O +ATOM 594 N TYR 44 28.680 22.850 33.200 1.00 0.00 N +ATOM 595 HN TYR 44 29.658 23.010 33.320 1.00 0.00 H +ATOM 596 CA TYR 44 28.280 22.280 31.910 1.00 0.00 C +ATOM 597 HA TYR 44 27.336 21.778 32.050 1.00 0.00 H +ATOM 598 CB TYR 44 28.140 23.440 30.840 1.00 0.00 C +ATOM 599 HB1 TYR 44 29.114 23.972 30.850 1.00 0.00 H +ATOM 600 HB2 TYR 44 27.980 23.110 29.790 1.00 0.00 H +ATOM 601 CG TYR 44 26.980 24.330 31.110 1.00 0.00 C +ATOM 602 CD1 TYR 44 27.130 25.420 31.990 1.00 0.00 C +ATOM 603 HD1 TYR 44 28.096 25.678 32.398 1.00 0.00 H +ATOM 604 CE1 TYR 44 26.050 26.240 32.250 1.00 0.00 C +ATOM 605 HE1 TYR 44 26.210 27.080 32.910 1.00 0.00 H +ATOM 606 CZ TYR 44 24.840 26.100 31.580 1.00 0.00 C +ATOM 607 OH TYR 44 23.790 27.020 31.770 1.00 0.00 O +ATOM 608 HH TYR 44 24.108 27.726 32.338 1.00 0.00 H +ATOM 609 CD2 TYR 44 25.770 24.140 30.450 1.00 0.00 C +ATOM 610 HD2 TYR 44 25.770 23.382 29.682 1.00 0.00 H +ATOM 611 CE2 TYR 44 24.730 25.050 30.680 1.00 0.00 C +ATOM 612 HE2 TYR 44 23.820 24.940 30.110 1.00 0.00 H +ATOM 613 C TYR 44 29.380 21.230 31.590 1.00 0.00 C +ATOM 614 O TYR 44 30.010 21.370 30.530 1.00 0.00 O +ATOM 615 N ALA 45 29.480 20.180 32.440 1.00 0.00 N +ATOM 616 HN ALA 45 28.946 20.080 33.276 1.00 0.00 H +ATOM 617 CA ALA 45 30.470 19.110 32.280 1.00 0.00 C +ATOM 618 HA ALA 45 31.426 19.488 31.952 1.00 0.00 H +ATOM 619 CB ALA 45 30.720 18.460 33.630 1.00 0.00 C +ATOM 620 HB1 ALA 45 29.686 18.168 33.912 1.00 0.00 H +ATOM 621 HB2 ALA 45 31.490 17.660 33.600 1.00 0.00 H +ATOM 622 HB3 ALA 45 31.200 19.240 34.260 1.00 0.00 H +ATOM 623 C ALA 45 30.100 18.090 31.180 1.00 0.00 C +ATOM 624 O ALA 45 30.900 17.200 30.920 1.00 0.00 O +ATOM 625 N ASN 46 28.940 18.240 30.510 1.00 0.00 N +ATOM 626 HN ASN 46 28.266 18.964 30.630 1.00 0.00 H +ATOM 627 CA ASN 46 28.430 17.170 29.640 1.00 0.00 C +ATOM 628 HA ASN 46 29.100 16.330 29.540 1.00 0.00 H +ATOM 629 CB ASN 46 27.230 16.480 30.370 1.00 0.00 C +ATOM 630 HB1 ASN 46 26.374 17.174 30.230 1.00 0.00 H +ATOM 631 HB2 ASN 46 26.980 15.490 29.930 1.00 0.00 H +ATOM 632 CG ASN 46 27.430 16.400 31.920 1.00 0.00 C +ATOM 633 OD1 ASN 46 26.810 17.030 32.790 1.00 0.00 O +ATOM 634 ND2 ASN 46 28.420 15.520 32.310 1.00 0.00 N +ATOM 635 1HD2 ASN 46 28.796 14.994 31.546 1.00 0.00 H +ATOM 636 2HD2 ASN 46 28.600 15.260 33.258 1.00 0.00 H +ATOM 637 C ASN 46 28.050 17.640 28.210 1.00 0.00 C +ATOM 638 OT1 ASN 46 28.240 18.890 27.890 1.00 0.00 O +ATOM 639 OT2 ASN 46 27.640 16.820 27.430 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1ah7_A.pdb b/data/PDBs/1ah7_A.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9643910bd4261ec9b368ec0768be63b88afcc54e --- /dev/null +++ b/data/PDBs/1ah7_A.pdb @@ -0,0 +1,3903 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 63.467 66.973 76.658 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N TRP 1 32.040 34.050 32.090 1.00 0.00 N +ATOM 2 H1 TRP 1 31.440 33.310 31.670 1.00 0.00 H +ATOM 3 H2 TRP 1 31.608 34.260 33.012 1.00 0.00 H +ATOM 4 H3 TRP 1 31.970 34.864 31.446 1.00 0.00 H +ATOM 5 CA TRP 1 33.360 33.420 32.180 1.00 0.00 C +ATOM 6 HA TRP 1 34.038 34.098 31.682 1.00 0.00 H +ATOM 7 CB TRP 1 33.880 33.230 33.670 1.00 0.00 C +ATOM 8 HB1 TRP 1 33.236 32.506 34.212 1.00 0.00 H +ATOM 9 HB2 TRP 1 34.898 32.790 33.590 1.00 0.00 H +ATOM 10 CG TRP 1 34.040 34.400 34.550 1.00 0.00 C +ATOM 11 CD1 TRP 1 33.250 34.680 35.610 1.00 0.00 C +ATOM 12 HD1 TRP 1 32.540 33.930 35.930 1.00 0.00 H +ATOM 13 NE1 TRP 1 33.670 35.730 36.320 1.00 0.00 N +ATOM 14 HE1 TRP 1 33.200 36.080 37.100 1.00 0.00 H +ATOM 15 CE2 TRP 1 34.760 36.270 35.660 1.00 0.00 C +ATOM 16 CD2 TRP 1 35.090 35.410 34.560 1.00 0.00 C +ATOM 17 CE3 TRP 1 36.310 35.670 33.900 1.00 0.00 C +ATOM 18 HE3 TRP 1 36.730 35.068 33.108 1.00 0.00 H +ATOM 19 CZ3 TRP 1 37.040 36.780 34.300 1.00 0.00 C +ATOM 20 HZ3 TRP 1 37.922 37.030 33.728 1.00 0.00 H +ATOM 21 CZ2 TRP 1 35.540 37.310 36.090 1.00 0.00 C +ATOM 22 HZ2 TRP 1 35.190 37.930 36.902 1.00 0.00 H +ATOM 23 CH2 TRP 1 36.730 37.530 35.430 1.00 0.00 C +ATOM 24 HH2 TRP 1 37.252 38.454 35.622 1.00 0.00 H +ATOM 25 C TRP 1 33.490 32.110 31.480 1.00 0.00 C +ATOM 26 O TRP 1 32.540 31.400 31.180 1.00 0.00 O +ATOM 27 N SER 2 34.740 31.820 31.020 1.00 0.00 N +ATOM 28 HN SER 2 35.506 32.438 30.860 1.00 0.00 H +ATOM 29 CA SER 2 34.880 30.520 30.350 1.00 0.00 C +ATOM 30 HA SER 2 34.180 30.450 29.530 1.00 0.00 H +ATOM 31 CB SER 2 36.290 30.260 29.620 1.00 0.00 C +ATOM 32 HB1 SER 2 36.460 29.232 29.232 1.00 0.00 H +ATOM 33 HB2 SER 2 36.450 31.002 28.808 1.00 0.00 H +ATOM 34 OG SER 2 37.320 30.530 30.530 1.00 0.00 O +ATOM 35 HG1 SER 2 38.192 30.500 30.130 1.00 0.00 H +ATOM 36 C SER 2 34.610 29.280 31.180 1.00 0.00 C +ATOM 37 O SER 2 34.750 29.260 32.440 1.00 0.00 O +ATOM 38 N ALA 3 34.190 28.210 30.560 1.00 0.00 N +ATOM 39 HN ALA 3 34.080 28.200 29.570 1.00 0.00 H +ATOM 40 CA ALA 3 33.700 26.950 31.160 1.00 0.00 C +ATOM 41 HA ALA 3 34.210 26.890 32.110 1.00 0.00 H +ATOM 42 CB ALA 3 32.210 27.050 31.560 1.00 0.00 C +ATOM 43 HB1 ALA 3 31.990 27.910 32.230 1.00 0.00 H +ATOM 44 HB2 ALA 3 31.498 27.070 30.708 1.00 0.00 H +ATOM 45 HB3 ALA 3 31.920 26.140 32.130 1.00 0.00 H +ATOM 46 C ALA 3 33.950 25.720 30.340 1.00 0.00 C +ATOM 47 O ALA 3 33.300 24.670 30.520 1.00 0.00 O +ATOM 48 N GLU 4 34.930 25.790 29.390 1.00 0.00 N +ATOM 49 HN GLU 4 35.518 26.596 29.410 1.00 0.00 H +ATOM 50 CA GLU 4 34.910 24.910 28.200 1.00 0.00 C +ATOM 51 HA GLU 4 33.882 24.920 27.870 1.00 0.00 H +ATOM 52 CB GLU 4 35.770 25.360 27.080 1.00 0.00 C +ATOM 53 HB1 GLU 4 36.822 25.430 27.430 1.00 0.00 H +ATOM 54 HB2 GLU 4 35.690 24.688 26.198 1.00 0.00 H +ATOM 55 CG GLU 4 35.240 26.730 26.640 1.00 0.00 C +ATOM 56 HG1 GLU 4 34.138 26.620 26.550 1.00 0.00 H +ATOM 57 HG2 GLU 4 35.520 27.500 27.390 1.00 0.00 H +ATOM 58 CD GLU 4 35.720 27.180 25.300 1.00 0.00 C +ATOM 59 OE1 GLU 4 35.210 28.270 24.810 1.00 0.00 O +ATOM 60 OE2 GLU 4 36.600 26.530 24.690 1.00 0.00 O +ATOM 61 C GLU 4 35.260 23.460 28.460 1.00 0.00 C +ATOM 62 O GLU 4 34.840 22.550 27.740 1.00 0.00 O +ATOM 63 N ASP 5 36.060 23.230 29.550 1.00 0.00 N +ATOM 64 HN ASP 5 36.428 24.036 30.008 1.00 0.00 H +ATOM 65 CA ASP 5 36.370 21.840 29.990 1.00 0.00 C +ATOM 66 HA ASP 5 35.780 21.200 29.350 1.00 0.00 H +ATOM 67 CB ASP 5 37.800 21.300 29.760 1.00 0.00 C +ATOM 68 HB1 ASP 5 38.158 21.280 28.708 1.00 0.00 H +ATOM 69 HB2 ASP 5 38.596 21.886 30.268 1.00 0.00 H +ATOM 70 CG ASP 5 37.950 19.790 30.150 1.00 0.00 C +ATOM 71 OD1 ASP 5 37.490 19.300 31.230 1.00 0.00 O +ATOM 72 OD2 ASP 5 38.590 19.060 29.340 1.00 0.00 O +ATOM 73 C ASP 5 35.750 21.640 31.350 1.00 0.00 C +ATOM 74 O ASP 5 35.850 22.440 32.260 1.00 0.00 O +ATOM 75 N LYS 6 35.000 20.530 31.550 1.00 0.00 N +ATOM 76 HN LYS 6 34.930 19.904 30.776 1.00 0.00 H +ATOM 77 CA LYS 6 34.320 20.200 32.740 1.00 0.00 C +ATOM 78 HA LYS 6 33.710 21.050 33.010 1.00 0.00 H +ATOM 79 CB LYS 6 33.410 18.980 32.360 1.00 0.00 C +ATOM 80 HB1 LYS 6 32.728 19.220 31.518 1.00 0.00 H +ATOM 81 HB2 LYS 6 34.016 18.116 32.012 1.00 0.00 H +ATOM 82 CG LYS 6 32.460 18.560 33.560 1.00 0.00 C +ATOM 83 HG1 LYS 6 33.098 18.122 34.358 1.00 0.00 H +ATOM 84 HG2 LYS 6 31.992 19.494 33.938 1.00 0.00 H +ATOM 85 CD LYS 6 31.340 17.650 33.050 1.00 0.00 C +ATOM 86 HD1 LYS 6 30.582 17.560 33.858 1.00 0.00 H +ATOM 87 HD2 LYS 6 30.836 18.236 32.252 1.00 0.00 H +ATOM 88 CE LYS 6 31.720 16.250 32.530 1.00 0.00 C +ATOM 89 HE1 LYS 6 32.630 16.340 31.900 1.00 0.00 H +ATOM 90 HE2 LYS 6 32.032 15.598 33.374 1.00 0.00 H +ATOM 91 NZ LYS 6 30.660 15.540 31.770 1.00 0.00 N +ATOM 92 HZ1 LYS 6 29.722 15.900 32.040 1.00 0.00 H +ATOM 93 HZ2 LYS 6 30.800 15.802 30.774 1.00 0.00 H +ATOM 94 HZ3 LYS 6 30.750 14.510 31.890 1.00 0.00 H +ATOM 95 C LYS 6 35.350 19.910 33.900 1.00 0.00 C +ATOM 96 O LYS 6 35.040 20.330 35.010 1.00 0.00 O +ATOM 97 N HIS 7 36.490 19.230 33.750 1.00 0.00 N +ATOM 98 HN HIS 7 36.660 18.840 32.848 1.00 0.00 H +ATOM 99 CA HIS 7 37.450 18.910 34.820 1.00 0.00 C +ATOM 100 HA HIS 7 37.000 19.280 35.730 1.00 0.00 H +ATOM 101 CB HIS 7 37.550 17.370 34.830 1.00 0.00 C +ATOM 102 HB1 HIS 7 37.770 17.010 33.802 1.00 0.00 H +ATOM 103 HB2 HIS 7 38.250 17.070 35.640 1.00 0.00 H +ATOM 104 ND1 HIS 7 35.630 16.770 36.220 1.00 0.00 N +ATOM 105 HD1 HIS 7 36.000 17.070 37.100 1.00 0.00 H +ATOM 106 CG HIS 7 36.200 16.730 35.050 1.00 0.00 C +ATOM 107 CE1 HIS 7 34.570 15.940 36.180 1.00 0.00 C +ATOM 108 HE1 HIS 7 33.990 15.780 37.090 1.00 0.00 H +ATOM 109 NE2 HIS 7 34.360 15.360 35.030 1.00 0.00 N +ATOM 110 CD2 HIS 7 35.450 15.890 34.270 1.00 0.00 C +ATOM 111 HD2 HIS 7 35.590 15.610 33.232 1.00 0.00 H +ATOM 112 C HIS 7 38.810 19.640 34.740 1.00 0.00 C +ATOM 113 O HIS 7 39.540 19.540 35.720 1.00 0.00 O +ATOM 114 N LYS 8 39.100 20.440 33.690 1.00 0.00 N +ATOM 115 HN LYS 8 38.486 20.490 32.906 1.00 0.00 H +ATOM 116 CA LYS 8 40.370 21.180 33.510 1.00 0.00 C +ATOM 117 HA LYS 8 41.058 20.812 34.258 1.00 0.00 H +ATOM 118 CB LYS 8 41.050 20.930 32.150 1.00 0.00 C +ATOM 119 HB1 LYS 8 40.298 21.222 31.388 1.00 0.00 H +ATOM 120 HB2 LYS 8 41.940 21.580 32.000 1.00 0.00 H +ATOM 121 CG LYS 8 41.530 19.480 31.940 1.00 0.00 C +ATOM 122 HG1 LYS 8 42.274 19.198 32.714 1.00 0.00 H +ATOM 123 HG2 LYS 8 40.612 18.860 32.030 1.00 0.00 H +ATOM 124 CD LYS 8 42.200 19.020 30.640 1.00 0.00 C +ATOM 125 HD1 LYS 8 41.610 19.270 29.732 1.00 0.00 H +ATOM 126 HD2 LYS 8 43.174 19.552 30.600 1.00 0.00 H +ATOM 127 CE LYS 8 42.300 17.510 30.750 1.00 0.00 C +ATOM 128 HE1 LYS 8 42.788 17.310 31.728 1.00 0.00 H +ATOM 129 HE2 LYS 8 41.284 17.072 30.850 1.00 0.00 H +ATOM 130 NZ LYS 8 43.000 16.990 29.590 1.00 0.00 N +ATOM 131 HZ1 LYS 8 44.018 17.200 29.650 1.00 0.00 H +ATOM 132 HZ2 LYS 8 42.960 15.954 29.650 1.00 0.00 H +ATOM 133 HZ3 LYS 8 42.600 17.300 28.680 1.00 0.00 H +ATOM 134 C LYS 8 40.330 22.700 33.670 1.00 0.00 C +ATOM 135 O LYS 8 39.660 23.430 32.980 1.00 0.00 O +ATOM 136 N GLU 9 41.170 23.330 34.570 1.00 0.00 N +ATOM 137 HN GLU 9 41.802 22.838 35.162 1.00 0.00 H +ATOM 138 CA GLU 9 41.300 24.750 34.810 1.00 0.00 C +ATOM 139 HA GLU 9 40.278 25.070 34.950 1.00 0.00 H +ATOM 140 CB GLU 9 42.140 25.170 36.100 1.00 0.00 C +ATOM 141 HB1 GLU 9 43.128 24.680 35.960 1.00 0.00 H +ATOM 142 HB2 GLU 9 42.270 26.274 36.100 1.00 0.00 H +ATOM 143 CG GLU 9 41.660 24.760 37.520 1.00 0.00 C +ATOM 144 HG1 GLU 9 40.668 25.202 37.750 1.00 0.00 H +ATOM 145 HG2 GLU 9 41.342 23.696 37.530 1.00 0.00 H +ATOM 146 CD GLU 9 42.640 25.010 38.650 1.00 0.00 C +ATOM 147 OE1 GLU 9 43.710 25.600 38.350 1.00 0.00 O +ATOM 148 OE2 GLU 9 42.370 24.560 39.830 1.00 0.00 O +ATOM 149 C GLU 9 41.810 25.610 33.620 1.00 0.00 C +ATOM 150 O GLU 9 41.220 26.670 33.300 1.00 0.00 O +ATOM 151 N GLY 10 42.790 25.050 32.850 1.00 0.00 N +ATOM 152 HN GLY 10 43.230 24.190 33.100 1.00 0.00 H +ATOM 153 CA GLY 10 43.250 25.670 31.570 1.00 0.00 C +ATOM 154 HA1 GLY 10 44.024 26.334 31.922 1.00 0.00 H +ATOM 155 HA2 GLY 10 43.750 24.910 30.990 1.00 0.00 H +ATOM 156 C GLY 10 42.250 26.390 30.640 1.00 0.00 C +ATOM 157 O GLY 10 42.520 27.500 30.230 1.00 0.00 O +ATOM 158 N VAL 11 41.040 25.820 30.340 1.00 0.00 N +ATOM 159 HN VAL 11 40.850 24.910 30.700 1.00 0.00 H +ATOM 160 CA VAL 11 40.000 26.450 29.580 1.00 0.00 C +ATOM 161 HA VAL 11 40.290 27.452 29.300 1.00 0.00 H +ATOM 162 CB VAL 11 39.840 25.840 28.210 1.00 0.00 C +ATOM 163 HB VAL 11 39.050 26.350 27.620 1.00 0.00 H +ATOM 164 CG1 VAL 11 41.120 25.960 27.420 1.00 0.00 C +ATOM 165 1HG1 VAL 11 41.892 25.308 27.882 1.00 0.00 H +ATOM 166 2HG1 VAL 11 40.940 25.540 26.408 1.00 0.00 H +ATOM 167 3HG1 VAL 11 41.522 26.996 27.410 1.00 0.00 H +ATOM 168 CG2 VAL 11 39.390 24.320 28.280 1.00 0.00 C +ATOM 169 1HG2 VAL 11 40.084 23.706 28.894 1.00 0.00 H +ATOM 170 2HG2 VAL 11 38.314 24.280 28.558 1.00 0.00 H +ATOM 171 3HG2 VAL 11 39.320 23.890 27.258 1.00 0.00 H +ATOM 172 C VAL 11 38.660 26.670 30.320 1.00 0.00 C +ATOM 173 O VAL 11 37.640 27.110 29.730 1.00 0.00 O +ATOM 174 N ASN 12 38.640 26.520 31.630 1.00 0.00 N +ATOM 175 HN ASN 12 39.378 26.150 32.188 1.00 0.00 H +ATOM 176 CA ASN 12 37.520 26.930 32.410 1.00 0.00 C +ATOM 177 HA ASN 12 36.764 27.348 31.762 1.00 0.00 H +ATOM 178 CB ASN 12 36.900 25.550 32.860 1.00 0.00 C +ATOM 179 HB1 ASN 12 36.752 24.934 31.946 1.00 0.00 H +ATOM 180 HB2 ASN 12 37.680 25.060 33.480 1.00 0.00 H +ATOM 181 CG ASN 12 35.660 25.660 33.730 1.00 0.00 C +ATOM 182 OD1 ASN 12 35.430 26.700 34.410 1.00 0.00 O +ATOM 183 ND2 ASN 12 34.880 24.650 33.770 1.00 0.00 N +ATOM 184 1HD2 ASN 12 35.010 23.874 33.152 1.00 0.00 H +ATOM 185 2HD2 ASN 12 34.218 24.550 34.512 1.00 0.00 H +ATOM 186 C ASN 12 37.910 27.890 33.480 1.00 0.00 C +ATOM 187 O ASN 12 38.540 27.590 34.480 1.00 0.00 O +ATOM 188 N SER 13 37.740 29.180 33.230 1.00 0.00 N +ATOM 189 HN SER 13 37.340 29.480 32.368 1.00 0.00 H +ATOM 190 CA SER 13 37.870 30.240 34.210 1.00 0.00 C +ATOM 191 HA SER 13 38.850 30.340 34.650 1.00 0.00 H +ATOM 192 CB SER 13 37.570 31.630 33.580 1.00 0.00 C +ATOM 193 HB1 SER 13 36.678 31.460 32.940 1.00 0.00 H +ATOM 194 HB2 SER 13 37.310 32.352 34.382 1.00 0.00 H +ATOM 195 OG SER 13 38.620 32.090 32.710 1.00 0.00 O +ATOM 196 HG1 SER 13 38.690 31.408 32.038 1.00 0.00 H +ATOM 197 C SER 13 36.960 30.050 35.430 1.00 0.00 C +ATOM 198 O SER 13 37.430 30.290 36.500 1.00 0.00 O +ATOM 199 N HIS 14 35.680 29.710 35.340 1.00 0.00 N +ATOM 200 HN HIS 14 35.230 29.450 34.490 1.00 0.00 H +ATOM 201 CA HIS 14 34.870 29.510 36.510 1.00 0.00 C +ATOM 202 HA HIS 14 34.880 30.400 37.120 1.00 0.00 H +ATOM 203 CB HIS 14 33.360 29.090 36.250 1.00 0.00 C +ATOM 204 HB1 HIS 14 33.340 28.210 35.570 1.00 0.00 H +ATOM 205 HB2 HIS 14 32.848 28.808 37.194 1.00 0.00 H +ATOM 206 ND1 HIS 14 32.050 31.230 36.480 1.00 0.00 N +ATOM 207 CG HIS 14 32.480 30.180 35.670 1.00 0.00 C +ATOM 208 CE1 HIS 14 31.000 31.800 35.820 1.00 0.00 C +ATOM 209 HE1 HIS 14 30.394 32.666 36.088 1.00 0.00 H +ATOM 210 NE2 HIS 14 30.720 31.190 34.640 1.00 0.00 N +ATOM 211 HE2 HIS 14 29.870 31.270 34.120 1.00 0.00 H +ATOM 212 CD2 HIS 14 31.710 30.220 34.490 1.00 0.00 C +ATOM 213 HD2 HIS 14 31.650 29.440 33.740 1.00 0.00 H +ATOM 214 C HIS 14 35.360 28.460 37.520 1.00 0.00 C +ATOM 215 O HIS 14 35.380 28.710 38.740 1.00 0.00 O +ATOM 216 N LEU 15 35.760 27.240 37.060 1.00 0.00 N +ATOM 217 HN LEU 15 35.730 27.040 36.084 1.00 0.00 H +ATOM 218 CA LEU 15 36.410 26.170 37.880 1.00 0.00 C +ATOM 219 HA LEU 15 35.740 25.920 38.690 1.00 0.00 H +ATOM 220 CB LEU 15 36.750 24.910 36.990 1.00 0.00 C +ATOM 221 HB1 LEU 15 35.794 24.648 36.488 1.00 0.00 H +ATOM 222 HB2 LEU 15 37.298 25.150 36.054 1.00 0.00 H +ATOM 223 CG LEU 15 37.340 23.700 37.720 1.00 0.00 C +ATOM 224 HG LEU 15 38.364 23.810 38.138 1.00 0.00 H +ATOM 225 CD1 LEU 15 36.480 23.108 38.880 1.00 0.00 C +ATOM 226 1HD1 LEU 15 36.818 22.124 39.268 1.00 0.00 H +ATOM 227 2HD1 LEU 15 36.328 23.888 39.658 1.00 0.00 H +ATOM 228 3HD1 LEU 15 35.454 22.880 38.522 1.00 0.00 H +ATOM 229 CD2 LEU 15 37.520 22.560 36.640 1.00 0.00 C +ATOM 230 1HD2 LEU 15 36.558 22.270 36.168 1.00 0.00 H +ATOM 231 2HD2 LEU 15 38.210 22.820 35.810 1.00 0.00 H +ATOM 232 3HD2 LEU 15 38.000 21.650 37.060 1.00 0.00 H +ATOM 233 C LEU 15 37.680 26.630 38.530 1.00 0.00 C +ATOM 234 O LEU 15 37.940 26.330 39.700 1.00 0.00 O +ATOM 235 N TRP 16 38.390 27.440 37.790 1.00 0.00 N +ATOM 236 HN TRP 16 37.940 27.830 36.990 1.00 0.00 H +ATOM 237 CA TRP 16 39.590 28.130 38.290 1.00 0.00 C +ATOM 238 HA TRP 16 40.322 27.398 38.600 1.00 0.00 H +ATOM 239 CB TRP 16 40.460 28.880 37.230 1.00 0.00 C +ATOM 240 HB1 TRP 16 40.720 28.062 36.522 1.00 0.00 H +ATOM 241 HB2 TRP 16 39.840 29.640 36.710 1.00 0.00 H +ATOM 242 CG TRP 16 41.740 29.530 37.690 1.00 0.00 C +ATOM 243 CD1 TRP 16 43.040 29.110 37.660 1.00 0.00 C +ATOM 244 HD1 TRP 16 43.398 28.152 37.312 1.00 0.00 H +ATOM 245 NE1 TRP 16 43.970 30.070 38.020 1.00 0.00 N +ATOM 246 HE1 TRP 16 44.804 30.230 37.538 1.00 0.00 H +ATOM 247 CE2 TRP 16 43.190 31.210 38.440 1.00 0.00 C +ATOM 248 CD2 TRP 16 41.850 30.890 38.190 1.00 0.00 C +ATOM 249 CE3 TRP 16 40.900 31.930 38.440 1.00 0.00 C +ATOM 250 HE3 TRP 16 39.858 31.680 38.310 1.00 0.00 H +ATOM 251 CZ3 TRP 16 41.310 33.080 39.100 1.00 0.00 C +ATOM 252 HZ3 TRP 16 40.592 33.788 39.488 1.00 0.00 H +ATOM 253 CZ2 TRP 16 43.600 32.430 38.970 1.00 0.00 C +ATOM 254 HZ2 TRP 16 44.642 32.680 39.110 1.00 0.00 H +ATOM 255 CH2 TRP 16 42.670 33.390 39.230 1.00 0.00 C +ATOM 256 HH2 TRP 16 42.960 34.342 39.650 1.00 0.00 H +ATOM 257 C TRP 16 39.260 28.980 39.450 1.00 0.00 C +ATOM 258 O TRP 16 39.920 28.830 40.460 1.00 0.00 O +ATOM 259 N ILE 17 38.220 29.900 39.390 1.00 0.00 N +ATOM 260 HN ILE 17 37.662 30.120 38.592 1.00 0.00 H +ATOM 261 CA ILE 17 37.880 30.730 40.520 1.00 0.00 C +ATOM 262 HA ILE 17 38.812 31.192 40.810 1.00 0.00 H +ATOM 263 CB ILE 17 36.800 31.760 40.250 1.00 0.00 C +ATOM 264 HB ILE 17 35.944 31.206 39.808 1.00 0.00 H +ATOM 265 CG2 ILE 17 36.370 32.650 41.460 1.00 0.00 C +ATOM 266 1HG2 ILE 17 35.740 32.050 42.150 1.00 0.00 H +ATOM 267 2HG2 ILE 17 37.246 33.098 41.978 1.00 0.00 H +ATOM 268 3HG2 ILE 17 35.656 33.434 41.128 1.00 0.00 H +ATOM 269 CG1 ILE 17 37.200 32.640 39.080 1.00 0.00 C +ATOM 270 1HG1 ILE 17 38.040 33.360 39.190 1.00 0.00 H +ATOM 271 2HG1 ILE 17 37.540 31.938 38.288 1.00 0.00 H +ATOM 272 CD ILE 17 36.010 33.270 38.430 1.00 0.00 C +ATOM 273 HD1 ILE 17 35.180 32.570 38.190 1.00 0.00 H +ATOM 274 HD2 ILE 17 35.540 34.048 39.068 1.00 0.00 H +ATOM 275 HD3 ILE 17 36.248 33.708 37.436 1.00 0.00 H +ATOM 276 C ILE 17 37.430 29.960 41.710 1.00 0.00 C +ATOM 277 O ILE 17 37.860 30.270 42.810 1.00 0.00 O +ATOM 278 N VAL 18 36.590 28.990 41.540 1.00 0.00 N +ATOM 279 HN VAL 18 36.410 28.720 40.598 1.00 0.00 H +ATOM 280 CA VAL 18 36.220 28.120 42.650 1.00 0.00 C +ATOM 281 HA VAL 18 35.780 28.680 43.462 1.00 0.00 H +ATOM 282 CB VAL 18 35.110 27.140 42.350 1.00 0.00 C +ATOM 283 HB VAL 18 35.390 26.458 41.518 1.00 0.00 H +ATOM 284 CG1 VAL 18 34.740 26.290 43.610 1.00 0.00 C +ATOM 285 1HG1 VAL 18 33.700 25.900 43.570 1.00 0.00 H +ATOM 286 2HG1 VAL 18 35.428 25.422 43.690 1.00 0.00 H +ATOM 287 3HG1 VAL 18 34.800 26.910 44.530 1.00 0.00 H +ATOM 288 CG2 VAL 18 33.880 27.920 41.870 1.00 0.00 C +ATOM 289 1HG2 VAL 18 33.580 28.570 42.720 1.00 0.00 H +ATOM 290 2HG2 VAL 18 34.100 28.538 40.972 1.00 0.00 H +ATOM 291 3HG2 VAL 18 33.006 27.264 41.672 1.00 0.00 H +ATOM 292 C VAL 18 37.360 27.330 43.330 1.00 0.00 C +ATOM 293 O VAL 18 37.390 27.070 44.550 1.00 0.00 O +ATOM 294 N ASN 19 38.320 26.860 42.580 1.00 0.00 N +ATOM 295 HN ASN 19 38.360 27.020 41.598 1.00 0.00 H +ATOM 296 CA ASN 19 39.490 26.080 43.050 1.00 0.00 C +ATOM 297 HA ASN 19 39.078 25.406 43.784 1.00 0.00 H +ATOM 298 CB ASN 19 40.210 25.350 41.930 1.00 0.00 C +ATOM 299 HB1 ASN 19 40.310 25.968 41.012 1.00 0.00 H +ATOM 300 HB2 ASN 19 41.280 25.200 42.190 1.00 0.00 H +ATOM 301 CG ASN 19 39.580 23.950 41.530 1.00 0.00 C +ATOM 302 OD1 ASN 19 40.250 22.950 41.560 1.00 0.00 O +ATOM 303 ND2 ASN 19 38.250 23.980 41.200 1.00 0.00 N +ATOM 304 1HD2 ASN 19 37.928 24.904 40.998 1.00 0.00 H +ATOM 305 2HD2 ASN 19 37.812 23.184 40.782 1.00 0.00 H +ATOM 306 C ASN 19 40.480 27.040 43.820 1.00 0.00 C +ATOM 307 O ASN 19 40.840 26.710 44.920 1.00 0.00 O +ATOM 308 N ARG 20 40.750 28.290 43.330 1.00 0.00 N +ATOM 309 HN ARG 20 40.458 28.400 42.384 1.00 0.00 H +ATOM 310 CA ARG 20 41.300 29.450 43.900 1.00 0.00 C +ATOM 311 HA ARG 20 42.320 29.210 44.160 1.00 0.00 H +ATOM 312 CB ARG 20 41.520 30.560 42.880 1.00 0.00 C +ATOM 313 HB1 ARG 20 40.562 30.860 42.402 1.00 0.00 H +ATOM 314 HB2 ARG 20 41.930 31.462 43.382 1.00 0.00 H +ATOM 315 CG ARG 20 42.600 30.330 41.860 1.00 0.00 C +ATOM 316 HG1 ARG 20 42.220 29.682 41.042 1.00 0.00 H +ATOM 317 HG2 ARG 20 42.780 31.338 41.430 1.00 0.00 H +ATOM 318 CD ARG 20 43.930 29.690 42.310 1.00 0.00 C +ATOM 319 HD1 ARG 20 44.618 29.930 41.472 1.00 0.00 H +ATOM 320 HD2 ARG 20 44.478 30.158 43.156 1.00 0.00 H +ATOM 321 NE ARG 20 43.870 28.200 42.460 1.00 0.00 N +ATOM 322 HE ARG 20 43.820 27.750 43.352 1.00 0.00 H +ATOM 323 CZ ARG 20 43.800 27.330 41.480 1.00 0.00 C +ATOM 324 NH1 ARG 20 43.920 27.610 40.250 1.00 0.00 N +ATOM 325 1HH1 ARG 20 44.190 28.522 39.940 1.00 0.00 H +ATOM 326 2HH1 ARG 20 44.030 26.850 39.610 1.00 0.00 H +ATOM 327 NH2 ARG 20 43.670 26.070 41.780 1.00 0.00 N +ATOM 328 1HH2 ARG 20 43.620 25.752 42.726 1.00 0.00 H +ATOM 329 2HH2 ARG 20 43.500 25.510 40.970 1.00 0.00 H +ATOM 330 C ARG 20 40.630 29.910 45.170 1.00 0.00 C +ATOM 331 O ARG 20 41.320 30.050 46.180 1.00 0.00 O +ATOM 332 N ALA 21 39.280 30.130 45.240 1.00 0.00 N +ATOM 333 HN ALA 21 38.748 30.080 44.398 1.00 0.00 H +ATOM 334 CA ALA 21 38.580 30.310 46.490 1.00 0.00 C +ATOM 335 HA ALA 21 38.930 31.222 46.950 1.00 0.00 H +ATOM 336 CB ALA 21 37.160 30.700 46.140 1.00 0.00 C +ATOM 337 HB1 ALA 21 36.608 29.816 45.758 1.00 0.00 H +ATOM 338 HB2 ALA 21 36.610 31.050 47.040 1.00 0.00 H +ATOM 339 HB3 ALA 21 37.110 31.450 45.320 1.00 0.00 H +ATOM 340 C ALA 21 38.670 29.140 47.520 1.00 0.00 C +ATOM 341 O ALA 21 38.870 29.320 48.760 1.00 0.00 O +ATOM 342 N ILE 22 38.560 27.800 47.080 1.00 0.00 N +ATOM 343 HN ILE 22 38.322 27.582 46.136 1.00 0.00 H +ATOM 344 CA ILE 22 39.070 26.630 47.830 1.00 0.00 C +ATOM 345 HA ILE 22 38.472 26.540 48.726 1.00 0.00 H +ATOM 346 CB ILE 22 38.690 25.380 47.010 1.00 0.00 C +ATOM 347 HB ILE 22 39.038 25.410 45.954 1.00 0.00 H +ATOM 348 CG2 ILE 22 39.360 24.140 47.630 1.00 0.00 C +ATOM 349 1HG2 ILE 22 39.160 23.232 47.022 1.00 0.00 H +ATOM 350 2HG2 ILE 22 40.464 24.130 47.510 1.00 0.00 H +ATOM 351 3HG2 ILE 22 39.072 23.900 48.676 1.00 0.00 H +ATOM 352 CG1 ILE 22 37.120 25.210 47.110 1.00 0.00 C +ATOM 353 1HG1 ILE 22 36.798 25.010 48.154 1.00 0.00 H +ATOM 354 2HG1 ILE 22 36.630 26.100 46.660 1.00 0.00 H +ATOM 355 CD ILE 22 36.660 24.070 46.220 1.00 0.00 C +ATOM 356 HD1 ILE 22 35.574 23.840 46.270 1.00 0.00 H +ATOM 357 HD2 ILE 22 36.960 24.210 45.160 1.00 0.00 H +ATOM 358 HD3 ILE 22 37.068 23.174 46.738 1.00 0.00 H +ATOM 359 C ILE 22 40.590 26.650 48.300 1.00 0.00 C +ATOM 360 O ILE 22 40.850 26.220 49.420 1.00 0.00 O +ATOM 361 N ASP 23 41.600 27.200 47.590 1.00 0.00 N +ATOM 362 HN ASP 23 41.600 27.480 46.632 1.00 0.00 H +ATOM 363 CA ASP 23 42.880 27.500 48.260 1.00 0.00 C +ATOM 364 HA ASP 23 43.380 26.620 48.640 1.00 0.00 H +ATOM 365 CB ASP 23 43.880 27.970 47.120 1.00 0.00 C +ATOM 366 HB1 ASP 23 43.520 28.900 46.630 1.00 0.00 H +ATOM 367 HB2 ASP 23 44.814 28.198 47.676 1.00 0.00 H +ATOM 368 CG ASP 23 44.040 26.860 46.140 1.00 0.00 C +ATOM 369 OD1 ASP 23 44.130 25.660 46.480 1.00 0.00 O +ATOM 370 OD2 ASP 23 44.220 27.120 44.950 1.00 0.00 O +ATOM 371 C ASP 23 42.800 28.580 49.430 1.00 0.00 C +ATOM 372 O ASP 23 43.530 28.460 50.390 1.00 0.00 O +ATOM 373 N ILE 24 41.880 29.590 49.330 1.00 0.00 N +ATOM 374 HN ILE 24 41.402 29.720 48.464 1.00 0.00 H +ATOM 375 CA ILE 24 41.690 30.640 50.320 1.00 0.00 C +ATOM 376 HA ILE 24 42.548 31.258 50.540 1.00 0.00 H +ATOM 377 CB ILE 24 40.720 31.790 49.780 1.00 0.00 C +ATOM 378 HB ILE 24 39.770 31.260 49.550 1.00 0.00 H +ATOM 379 CG2 ILE 24 40.680 32.880 50.870 1.00 0.00 C +ATOM 380 1HG2 ILE 24 41.696 33.282 51.072 1.00 0.00 H +ATOM 381 2HG2 ILE 24 40.070 33.750 50.550 1.00 0.00 H +ATOM 382 3HG2 ILE 24 40.232 32.592 51.846 1.00 0.00 H +ATOM 383 CG1 ILE 24 41.310 32.480 48.530 1.00 0.00 C +ATOM 384 1HG1 ILE 24 42.358 32.800 48.710 1.00 0.00 H +ATOM 385 2HG1 ILE 24 41.400 31.738 47.708 1.00 0.00 H +ATOM 386 CD ILE 24 40.520 33.640 48.010 1.00 0.00 C +ATOM 387 HD1 ILE 24 40.540 34.564 48.626 1.00 0.00 H +ATOM 388 HD2 ILE 24 40.888 33.938 47.004 1.00 0.00 H +ATOM 389 HD3 ILE 24 39.478 33.270 47.920 1.00 0.00 H +ATOM 390 C ILE 24 41.190 30.070 51.650 1.00 0.00 C +ATOM 391 O ILE 24 41.610 30.370 52.780 1.00 0.00 O +ATOM 392 N MET 25 40.270 29.120 51.530 1.00 0.00 N +ATOM 393 HN MET 25 39.910 28.800 50.658 1.00 0.00 H +ATOM 394 CA MET 25 39.900 28.250 52.620 1.00 0.00 C +ATOM 395 HA MET 25 39.610 28.740 53.538 1.00 0.00 H +ATOM 396 CB MET 25 38.860 27.270 52.160 1.00 0.00 C +ATOM 397 HB1 MET 25 39.132 26.736 51.224 1.00 0.00 H +ATOM 398 HB2 MET 25 38.800 26.480 52.940 1.00 0.00 H +ATOM 399 CG MET 25 37.450 27.780 52.050 1.00 0.00 C +ATOM 400 HG1 MET 25 37.042 28.098 53.034 1.00 0.00 H +ATOM 401 HG2 MET 25 37.510 28.700 51.430 1.00 0.00 H +ATOM 402 SD MET 25 36.380 26.480 51.190 1.00 0.00 S +ATOM 403 CE MET 25 35.820 25.810 52.740 1.00 0.00 C +ATOM 404 HE1 MET 25 35.046 26.492 53.152 1.00 0.00 H +ATOM 405 HE2 MET 25 35.390 24.798 52.580 1.00 0.00 H +ATOM 406 HE3 MET 25 36.760 25.790 53.330 1.00 0.00 H +ATOM 407 C MET 25 41.080 27.390 53.230 1.00 0.00 C +ATOM 408 O MET 25 41.290 27.270 54.400 1.00 0.00 O +ATOM 409 N SER 26 41.850 26.640 52.360 1.00 0.00 N +ATOM 410 HN SER 26 41.622 26.452 51.408 1.00 0.00 H +ATOM 411 CA SER 26 43.060 25.930 52.810 1.00 0.00 C +ATOM 412 HA SER 26 42.738 25.176 53.514 1.00 0.00 H +ATOM 413 CB SER 26 43.870 25.180 51.660 1.00 0.00 C +ATOM 414 HB1 SER 26 44.272 25.854 50.874 1.00 0.00 H +ATOM 415 HB2 SER 26 44.772 24.780 52.170 1.00 0.00 H +ATOM 416 OG SER 26 43.050 24.140 51.190 1.00 0.00 O +ATOM 417 HG1 SER 26 43.050 24.060 50.234 1.00 0.00 H +ATOM 418 C SER 26 44.040 26.810 53.450 1.00 0.00 C +ATOM 419 O SER 26 44.580 26.550 54.530 1.00 0.00 O +ATOM 420 N ARG 27 44.300 28.060 52.900 1.00 0.00 N +ATOM 421 HN ARG 27 43.910 28.350 52.030 1.00 0.00 H +ATOM 422 CA ARG 27 45.280 29.050 53.510 1.00 0.00 C +ATOM 423 HA ARG 27 46.158 28.472 53.760 1.00 0.00 H +ATOM 424 CB ARG 27 45.740 30.190 52.570 1.00 0.00 C +ATOM 425 HB1 ARG 27 44.812 30.530 52.062 1.00 0.00 H +ATOM 426 HB2 ARG 27 46.292 31.002 53.092 1.00 0.00 H +ATOM 427 CG ARG 27 46.730 29.700 51.580 1.00 0.00 C +ATOM 428 HG1 ARG 27 47.624 29.388 52.162 1.00 0.00 H +ATOM 429 HG2 ARG 27 46.280 28.920 50.930 1.00 0.00 H +ATOM 430 CD ARG 27 47.290 30.850 50.690 1.00 0.00 C +ATOM 431 HD1 ARG 27 46.538 31.422 50.108 1.00 0.00 H +ATOM 432 HD2 ARG 27 47.780 31.510 51.438 1.00 0.00 H +ATOM 433 NE ARG 27 48.360 30.360 49.690 1.00 0.00 N +ATOM 434 HE ARG 27 49.244 30.132 50.098 1.00 0.00 H +ATOM 435 CZ ARG 27 48.080 29.810 48.530 1.00 0.00 C +ATOM 436 NH1 ARG 27 46.880 29.890 48.040 1.00 0.00 N +ATOM 437 1HH1 ARG 27 46.158 30.250 48.632 1.00 0.00 H +ATOM 438 2HH1 ARG 27 46.780 29.770 47.052 1.00 0.00 H +ATOM 439 NH2 ARG 27 49.040 29.240 47.780 1.00 0.00 N +ATOM 440 1HH2 ARG 27 49.958 29.590 47.970 1.00 0.00 H +ATOM 441 2HH2 ARG 27 48.850 28.660 46.988 1.00 0.00 H +ATOM 442 C ARG 27 44.870 29.600 54.850 1.00 0.00 C +ATOM 443 O ARG 27 45.700 30.080 55.610 1.00 0.00 O +ATOM 444 N ASN 28 43.520 29.670 55.180 1.00 0.00 N +ATOM 445 HN ASN 28 42.822 29.332 54.552 1.00 0.00 H +ATOM 446 CA ASN 28 43.120 30.330 56.410 1.00 0.00 C +ATOM 447 HA ASN 28 43.602 31.294 56.470 1.00 0.00 H +ATOM 448 CB ASN 28 41.630 30.660 56.180 1.00 0.00 C +ATOM 449 HB1 ASN 28 41.258 31.112 55.236 1.00 0.00 H +ATOM 450 HB2 ASN 28 41.072 29.702 56.260 1.00 0.00 H +ATOM 451 CG ASN 28 41.040 31.610 57.220 1.00 0.00 C +ATOM 452 OD1 ASN 28 40.570 31.030 58.210 1.00 0.00 O +ATOM 453 ND2 ASN 28 40.960 32.930 57.020 1.00 0.00 N +ATOM 454 1HD2 ASN 28 41.516 33.338 56.294 1.00 0.00 H +ATOM 455 2HD2 ASN 28 40.540 33.470 57.750 1.00 0.00 H +ATOM 456 C ASN 28 43.400 29.500 57.680 1.00 0.00 C +ATOM 457 O ASN 28 42.980 28.370 57.700 1.00 0.00 O +ATOM 458 N THR 29 43.980 29.990 58.810 1.00 0.00 N +ATOM 459 HN THR 29 44.390 30.898 58.780 1.00 0.00 H +ATOM 460 CA THR 29 44.090 29.300 60.070 1.00 0.00 C +ATOM 461 HA THR 29 43.680 28.302 60.120 1.00 0.00 H +ATOM 462 CB THR 29 45.500 29.140 60.520 1.00 0.00 C +ATOM 463 HB THR 29 45.530 28.718 61.546 1.00 0.00 H +ATOM 464 OG1 THR 29 46.230 30.330 60.440 1.00 0.00 O +ATOM 465 HG1 THR 29 47.004 30.048 60.932 1.00 0.00 H +ATOM 466 CG2 THR 29 46.230 27.980 59.850 1.00 0.00 C +ATOM 467 1HG2 THR 29 45.818 26.976 60.090 1.00 0.00 H +ATOM 468 2HG2 THR 29 46.180 28.160 58.754 1.00 0.00 H +ATOM 469 3HG2 THR 29 47.312 27.870 60.070 1.00 0.00 H +ATOM 470 C THR 29 43.260 30.010 61.220 1.00 0.00 C +ATOM 471 O THR 29 43.250 29.530 62.380 1.00 0.00 O +ATOM 472 N THR 30 42.490 31.120 60.990 1.00 0.00 N +ATOM 473 HN THR 30 42.520 31.582 60.108 1.00 0.00 H +ATOM 474 CA THR 30 41.880 31.900 62.040 1.00 0.00 C +ATOM 475 HA THR 30 42.130 31.438 62.984 1.00 0.00 H +ATOM 476 CB THR 30 42.390 33.300 62.000 1.00 0.00 C +ATOM 477 HB THR 30 41.842 33.928 62.736 1.00 0.00 H +ATOM 478 OG1 THR 30 42.350 33.870 60.710 1.00 0.00 O +ATOM 479 HG1 THR 30 42.500 34.810 60.840 1.00 0.00 H +ATOM 480 CG2 THR 30 43.830 33.300 62.420 1.00 0.00 C +ATOM 481 1HG2 THR 30 43.970 33.040 63.490 1.00 0.00 H +ATOM 482 2HG2 THR 30 44.480 32.570 61.890 1.00 0.00 H +ATOM 483 3HG2 THR 30 44.300 34.300 62.300 1.00 0.00 H +ATOM 484 C THR 30 40.330 31.860 61.990 1.00 0.00 C +ATOM 485 O THR 30 39.710 32.320 62.950 1.00 0.00 O +ATOM 486 N LEU 31 39.740 31.370 60.920 1.00 0.00 N +ATOM 487 HN LEU 31 40.228 31.162 60.076 1.00 0.00 H +ATOM 488 CA LEU 31 38.310 31.060 60.880 1.00 0.00 C +ATOM 489 HA LEU 31 37.898 31.140 61.874 1.00 0.00 H +ATOM 490 CB LEU 31 37.630 32.040 59.950 1.00 0.00 C +ATOM 491 HB1 LEU 31 37.650 33.090 60.310 1.00 0.00 H +ATOM 492 HB2 LEU 31 38.244 32.060 59.024 1.00 0.00 H +ATOM 493 CG LEU 31 36.170 31.780 59.500 1.00 0.00 C +ATOM 494 HG LEU 31 36.110 30.824 58.936 1.00 0.00 H +ATOM 495 CD1 LEU 31 35.300 31.770 60.760 1.00 0.00 C +ATOM 496 1HD1 LEU 31 35.370 30.740 61.170 1.00 0.00 H +ATOM 497 2HD1 LEU 31 35.712 32.452 61.534 1.00 0.00 H +ATOM 498 3HD1 LEU 31 34.238 32.028 60.562 1.00 0.00 H +ATOM 499 CD2 LEU 31 35.860 32.910 58.540 1.00 0.00 C +ATOM 500 1HD2 LEU 31 36.058 33.894 59.018 1.00 0.00 H +ATOM 501 2HD2 LEU 31 36.588 32.780 57.712 1.00 0.00 H +ATOM 502 3HD2 LEU 31 34.830 32.770 58.150 1.00 0.00 H +ATOM 503 C LEU 31 37.940 29.650 60.550 1.00 0.00 C +ATOM 504 O LEU 31 37.070 29.060 61.180 1.00 0.00 O +ATOM 505 N VAL 32 38.470 29.140 59.450 1.00 0.00 N +ATOM 506 HN VAL 32 39.206 29.668 59.032 1.00 0.00 H +ATOM 507 CA VAL 32 37.920 28.100 58.670 1.00 0.00 C +ATOM 508 HA VAL 32 36.886 28.402 58.610 1.00 0.00 H +ATOM 509 CB VAL 32 38.360 28.210 57.260 1.00 0.00 C +ATOM 510 HB VAL 32 39.456 28.020 57.270 1.00 0.00 H +ATOM 511 CG1 VAL 32 37.930 27.040 56.300 1.00 0.00 C +ATOM 512 1HG1 VAL 32 36.882 27.040 55.930 1.00 0.00 H +ATOM 513 2HG1 VAL 32 38.498 27.160 55.352 1.00 0.00 H +ATOM 514 3HG1 VAL 32 38.180 26.038 56.710 1.00 0.00 H +ATOM 515 CG2 VAL 32 38.090 29.620 56.670 1.00 0.00 C +ATOM 516 1HG2 VAL 32 38.650 29.900 55.752 1.00 0.00 H +ATOM 517 2HG2 VAL 32 36.998 29.670 56.480 1.00 0.00 H +ATOM 518 3HG2 VAL 32 38.278 30.504 57.316 1.00 0.00 H +ATOM 519 C VAL 32 38.010 26.720 59.270 1.00 0.00 C +ATOM 520 O VAL 32 39.040 26.280 59.800 1.00 0.00 O +ATOM 521 N LYS 33 36.970 25.910 59.170 1.00 0.00 N +ATOM 522 HN LYS 33 36.102 26.200 58.772 1.00 0.00 H +ATOM 523 CA LYS 33 36.950 24.520 59.580 1.00 0.00 C +ATOM 524 HA LYS 33 37.654 24.328 60.376 1.00 0.00 H +ATOM 525 CB LYS 33 35.550 24.070 60.130 1.00 0.00 C +ATOM 526 HB1 LYS 33 34.760 24.120 59.350 1.00 0.00 H +ATOM 527 HB2 LYS 33 35.540 22.996 60.418 1.00 0.00 H +ATOM 528 CG LYS 33 35.100 24.810 61.420 1.00 0.00 C +ATOM 529 HG1 LYS 33 34.860 25.874 61.210 1.00 0.00 H +ATOM 530 HG2 LYS 33 34.138 24.370 61.760 1.00 0.00 H +ATOM 531 CD LYS 33 36.090 24.540 62.600 1.00 0.00 C +ATOM 532 HD1 LYS 33 36.270 23.468 62.830 1.00 0.00 H +ATOM 533 HD2 LYS 33 37.082 24.850 62.210 1.00 0.00 H +ATOM 534 CE LYS 33 35.770 25.250 63.980 1.00 0.00 C +ATOM 535 HE1 LYS 33 35.170 26.170 63.820 1.00 0.00 H +ATOM 536 HE2 LYS 33 35.082 24.622 64.588 1.00 0.00 H +ATOM 537 NZ LYS 33 36.980 25.630 64.810 1.00 0.00 N +ATOM 538 HZ1 LYS 33 37.668 24.862 64.670 1.00 0.00 H +ATOM 539 HZ2 LYS 33 37.250 26.568 64.450 1.00 0.00 H +ATOM 540 HZ3 LYS 33 36.680 25.800 65.790 1.00 0.00 H +ATOM 541 C LYS 33 37.310 23.710 58.320 1.00 0.00 C +ATOM 542 O LYS 33 36.620 23.810 57.290 1.00 0.00 O +ATOM 543 N GLN 34 38.410 22.920 58.310 1.00 0.00 N +ATOM 544 HN GLN 34 38.808 22.660 59.186 1.00 0.00 H +ATOM 545 CA GLN 34 39.000 22.390 57.050 1.00 0.00 C +ATOM 546 HA GLN 34 38.850 23.194 56.346 1.00 0.00 H +ATOM 547 CB GLN 34 40.540 22.070 57.240 1.00 0.00 C +ATOM 548 HB1 GLN 34 40.610 21.328 58.064 1.00 0.00 H +ATOM 549 HB2 GLN 34 40.852 21.598 56.284 1.00 0.00 H +ATOM 550 CG GLN 34 41.510 23.220 57.670 1.00 0.00 C +ATOM 551 HG1 GLN 34 41.410 23.370 58.766 1.00 0.00 H +ATOM 552 HG2 GLN 34 42.536 22.978 57.318 1.00 0.00 H +ATOM 553 CD GLN 34 41.140 24.530 57.010 1.00 0.00 C +ATOM 554 OE1 GLN 34 40.800 25.580 57.620 1.00 0.00 O +ATOM 555 NE2 GLN 34 41.130 24.560 55.690 1.00 0.00 N +ATOM 556 1HE2 GLN 34 41.502 23.786 55.178 1.00 0.00 H +ATOM 557 2HE2 GLN 34 40.940 25.438 55.250 1.00 0.00 H +ATOM 558 C GLN 34 38.270 21.160 56.610 1.00 0.00 C +ATOM 559 O GLN 34 38.450 20.580 55.520 1.00 0.00 O +ATOM 560 N ASP 35 37.360 20.600 57.430 1.00 0.00 N +ATOM 561 HN ASP 35 37.050 20.790 58.358 1.00 0.00 H +ATOM 562 CA ASP 35 36.530 19.460 57.050 1.00 0.00 C +ATOM 563 HA ASP 35 37.178 18.662 56.720 1.00 0.00 H +ATOM 564 CB ASP 35 35.700 19.040 58.280 1.00 0.00 C +ATOM 565 HB1 ASP 35 36.452 18.720 59.032 1.00 0.00 H +ATOM 566 HB2 ASP 35 35.050 19.870 58.630 1.00 0.00 H +ATOM 567 CG ASP 35 34.820 17.840 58.120 1.00 0.00 C +ATOM 568 OD1 ASP 35 35.200 16.870 57.390 1.00 0.00 O +ATOM 569 OD2 ASP 35 33.740 17.750 58.850 1.00 0.00 O +ATOM 570 C ASP 35 35.670 19.830 55.880 1.00 0.00 C +ATOM 571 O ASP 35 35.530 18.950 55.010 1.00 0.00 O +ATOM 572 N ARG 36 35.240 21.080 55.800 1.00 0.00 N +ATOM 573 HN ARG 36 35.528 21.648 56.568 1.00 0.00 H +ATOM 574 CA ARG 36 34.510 21.730 54.700 1.00 0.00 C +ATOM 575 HA ARG 36 33.558 21.240 54.560 1.00 0.00 H +ATOM 576 CB ARG 36 34.260 23.230 55.030 1.00 0.00 C +ATOM 577 HB1 ARG 36 35.248 23.718 55.170 1.00 0.00 H +ATOM 578 HB2 ARG 36 33.860 23.670 54.092 1.00 0.00 H +ATOM 579 CG ARG 36 33.330 23.380 56.230 1.00 0.00 C +ATOM 580 HG1 ARG 36 32.296 23.222 55.852 1.00 0.00 H +ATOM 581 HG2 ARG 36 33.400 22.582 56.998 1.00 0.00 H +ATOM 582 CD ARG 36 33.390 24.810 56.920 1.00 0.00 C +ATOM 583 HD1 ARG 36 34.396 24.890 57.382 1.00 0.00 H +ATOM 584 HD2 ARG 36 33.370 25.620 56.160 1.00 0.00 H +ATOM 585 NE ARG 36 32.280 24.910 57.980 1.00 0.00 N +ATOM 586 HE ARG 36 32.020 24.102 58.508 1.00 0.00 H +ATOM 587 CZ ARG 36 31.660 26.010 58.370 1.00 0.00 C +ATOM 588 NH1 ARG 36 32.010 27.170 57.980 1.00 0.00 N +ATOM 589 1HH1 ARG 36 32.994 27.348 57.990 1.00 0.00 H +ATOM 590 2HH1 ARG 36 31.490 27.980 58.250 1.00 0.00 H +ATOM 591 NH2 ARG 36 30.550 25.900 59.060 1.00 0.00 N +ATOM 592 1HH2 ARG 36 30.110 25.010 59.170 1.00 0.00 H +ATOM 593 2HH2 ARG 36 30.110 26.750 59.350 1.00 0.00 H +ATOM 594 C ARG 36 35.210 21.680 53.330 1.00 0.00 C +ATOM 595 O ARG 36 34.560 21.340 52.280 1.00 0.00 O +ATOM 596 N VAL 37 36.540 21.960 53.320 1.00 0.00 N +ATOM 597 HN VAL 37 37.000 22.240 54.160 1.00 0.00 H +ATOM 598 CA VAL 37 37.340 21.740 52.170 1.00 0.00 C +ATOM 599 HA VAL 37 36.940 22.348 51.372 1.00 0.00 H +ATOM 600 CB VAL 37 38.820 22.110 52.440 1.00 0.00 C +ATOM 601 HB VAL 37 39.210 21.610 53.352 1.00 0.00 H +ATOM 602 CG1 VAL 37 39.720 21.910 51.140 1.00 0.00 C +ATOM 603 1HG1 VAL 37 40.804 22.080 51.310 1.00 0.00 H +ATOM 604 2HG1 VAL 37 39.720 20.914 50.648 1.00 0.00 H +ATOM 605 3HG1 VAL 37 39.530 22.760 50.450 1.00 0.00 H +ATOM 606 CG2 VAL 37 38.940 23.620 52.840 1.00 0.00 C +ATOM 607 1HG2 VAL 37 38.408 23.700 53.812 1.00 0.00 H +ATOM 608 2HG2 VAL 37 39.942 24.080 52.970 1.00 0.00 H +ATOM 609 3HG2 VAL 37 38.362 24.138 52.044 1.00 0.00 H +ATOM 610 C VAL 37 37.340 20.400 51.670 1.00 0.00 C +ATOM 611 O VAL 37 37.140 20.110 50.520 1.00 0.00 O +ATOM 612 N ALA 38 37.480 19.440 52.630 1.00 0.00 N +ATOM 613 HN ALA 38 37.610 19.762 53.564 1.00 0.00 H +ATOM 614 CA ALA 38 37.500 17.980 52.390 1.00 0.00 C +ATOM 615 HA ALA 38 38.304 17.822 51.686 1.00 0.00 H +ATOM 616 CB ALA 38 37.920 17.180 53.640 1.00 0.00 C +ATOM 617 HB1 ALA 38 37.098 16.980 54.360 1.00 0.00 H +ATOM 618 HB2 ALA 38 38.350 16.232 53.250 1.00 0.00 H +ATOM 619 HB3 ALA 38 38.740 17.740 54.140 1.00 0.00 H +ATOM 620 C ALA 38 36.270 17.390 51.770 1.00 0.00 C +ATOM 621 O ALA 38 36.320 16.570 50.880 1.00 0.00 O +ATOM 622 N GLN 39 35.100 17.810 52.250 1.00 0.00 N +ATOM 623 HN GLN 39 35.170 18.322 53.102 1.00 0.00 H +ATOM 624 CA GLN 39 33.860 17.540 51.590 1.00 0.00 C +ATOM 625 HA GLN 39 33.610 16.490 51.530 1.00 0.00 H +ATOM 626 CB GLN 39 32.680 18.150 52.410 1.00 0.00 C +ATOM 627 HB1 GLN 39 32.900 19.226 52.580 1.00 0.00 H +ATOM 628 HB2 GLN 39 31.822 18.050 51.712 1.00 0.00 H +ATOM 629 CG GLN 39 32.510 17.490 53.760 1.00 0.00 C +ATOM 630 HG1 GLN 39 32.500 16.380 53.820 1.00 0.00 H +ATOM 631 HG2 GLN 39 33.342 17.830 54.412 1.00 0.00 H +ATOM 632 CD GLN 39 31.290 18.030 54.490 1.00 0.00 C +ATOM 633 OE1 GLN 39 31.410 18.930 55.300 1.00 0.00 O +ATOM 634 NE2 GLN 39 30.080 17.670 53.940 1.00 0.00 N +ATOM 635 1HE2 GLN 39 30.100 16.902 53.300 1.00 0.00 H +ATOM 636 2HE2 GLN 39 29.372 18.348 54.140 1.00 0.00 H +ATOM 637 C GLN 39 33.810 18.060 50.160 1.00 0.00 C +ATOM 638 O GLN 39 33.220 17.500 49.260 1.00 0.00 O +ATOM 639 N LEU 40 34.300 19.250 49.770 1.00 0.00 N +ATOM 640 HN LEU 40 34.640 19.942 50.402 1.00 0.00 H +ATOM 641 CA LEU 40 34.320 19.880 48.420 1.00 0.00 C +ATOM 642 HA LEU 40 33.354 19.680 47.982 1.00 0.00 H +ATOM 643 CB LEU 40 34.840 21.410 48.410 1.00 0.00 C +ATOM 644 HB1 LEU 40 35.722 21.370 49.084 1.00 0.00 H +ATOM 645 HB2 LEU 40 35.252 21.712 47.424 1.00 0.00 H +ATOM 646 CG LEU 40 33.830 22.320 49.030 1.00 0.00 C +ATOM 647 HG LEU 40 33.460 21.800 49.940 1.00 0.00 H +ATOM 648 CD1 LEU 40 34.570 23.690 49.250 1.00 0.00 C +ATOM 649 1HD1 LEU 40 35.548 23.550 49.758 1.00 0.00 H +ATOM 650 2HD1 LEU 40 34.550 24.280 48.310 1.00 0.00 H +ATOM 651 3HD1 LEU 40 34.000 24.328 49.958 1.00 0.00 H +ATOM 652 CD2 LEU 40 32.540 22.600 48.240 1.00 0.00 C +ATOM 653 1HD2 LEU 40 32.058 21.766 47.688 1.00 0.00 H +ATOM 654 2HD2 LEU 40 31.838 23.070 48.962 1.00 0.00 H +ATOM 655 3HD2 LEU 40 32.730 23.390 47.480 1.00 0.00 H +ATOM 656 C LEU 40 35.230 19.010 47.530 1.00 0.00 C +ATOM 657 O LEU 40 35.160 18.730 46.340 1.00 0.00 O +ATOM 658 N ASN 41 36.370 18.580 48.170 1.00 0.00 N +ATOM 659 HN ASN 41 36.620 18.910 49.078 1.00 0.00 H +ATOM 660 CA ASN 41 37.280 17.540 47.670 1.00 0.00 C +ATOM 661 HA ASN 41 37.470 17.880 46.662 1.00 0.00 H +ATOM 662 CB ASN 41 38.590 17.470 48.480 1.00 0.00 C +ATOM 663 HB1 ASN 41 38.340 17.370 49.558 1.00 0.00 H +ATOM 664 HB2 ASN 41 39.212 16.598 48.190 1.00 0.00 H +ATOM 665 CG ASN 41 39.430 18.790 48.460 1.00 0.00 C +ATOM 666 OD1 ASN 41 40.440 18.940 49.170 1.00 0.00 O +ATOM 667 ND2 ASN 41 39.030 19.830 47.660 1.00 0.00 N +ATOM 668 1HD2 ASN 41 38.186 19.790 47.128 1.00 0.00 H +ATOM 669 2HD2 ASN 41 39.548 20.676 47.800 1.00 0.00 H +ATOM 670 C ASN 41 36.650 16.190 47.400 1.00 0.00 C +ATOM 671 O ASN 41 36.800 15.600 46.360 1.00 0.00 O +ATOM 672 N GLU 42 35.890 15.610 48.330 1.00 0.00 N +ATOM 673 HN GLU 42 35.820 16.010 49.240 1.00 0.00 H +ATOM 674 CA GLU 42 35.100 14.440 48.220 1.00 0.00 C +ATOM 675 HA GLU 42 35.928 13.752 48.140 1.00 0.00 H +ATOM 676 CB GLU 42 34.470 14.030 49.510 1.00 0.00 C +ATOM 677 HB1 GLU 42 35.160 13.980 50.380 1.00 0.00 H +ATOM 678 HB2 GLU 42 33.796 14.866 49.792 1.00 0.00 H +ATOM 679 CG GLU 42 33.760 12.700 49.450 1.00 0.00 C +ATOM 680 HG1 GLU 42 32.726 12.840 49.068 1.00 0.00 H +ATOM 681 HG2 GLU 42 34.322 11.988 48.808 1.00 0.00 H +ATOM 682 CD GLU 42 33.520 12.130 50.840 1.00 0.00 C +ATOM 683 OE1 GLU 42 34.140 12.570 51.810 1.00 0.00 O +ATOM 684 OE2 GLU 42 32.690 11.160 50.900 1.00 0.00 O +ATOM 685 C GLU 42 34.010 14.370 47.140 1.00 0.00 C +ATOM 686 O GLU 42 33.760 13.370 46.420 1.00 0.00 O +ATOM 687 N TRP 43 33.280 15.480 46.940 1.00 0.00 N +ATOM 688 HN TRP 43 33.500 16.272 47.502 1.00 0.00 H +ATOM 689 CA TRP 43 32.250 15.660 45.990 1.00 0.00 C +ATOM 690 HA TRP 43 32.100 14.706 45.508 1.00 0.00 H +ATOM 691 CB TRP 43 30.840 15.930 46.640 1.00 0.00 C +ATOM 692 HB1 TRP 43 30.720 16.958 47.042 1.00 0.00 H +ATOM 693 HB2 TRP 43 30.072 15.632 45.892 1.00 0.00 H +ATOM 694 CG TRP 43 30.680 15.030 47.830 1.00 0.00 C +ATOM 695 CD1 TRP 43 30.830 15.320 49.180 1.00 0.00 C +ATOM 696 HD1 TRP 43 31.140 16.318 49.450 1.00 0.00 H +ATOM 697 NE1 TRP 43 30.470 14.270 49.980 1.00 0.00 N +ATOM 698 HE1 TRP 43 30.702 14.128 50.916 1.00 0.00 H +ATOM 699 CE2 TRP 43 30.070 13.230 49.140 1.00 0.00 C +ATOM 700 CD2 TRP 43 30.060 13.720 47.810 1.00 0.00 C +ATOM 701 CE3 TRP 43 29.620 12.940 46.760 1.00 0.00 C +ATOM 702 HE3 TRP 43 29.700 13.260 45.732 1.00 0.00 H +ATOM 703 CZ3 TRP 43 28.960 11.780 47.100 1.00 0.00 C +ATOM 704 HZ3 TRP 43 28.500 11.140 46.360 1.00 0.00 H +ATOM 705 CZ2 TRP 43 29.580 11.900 49.370 1.00 0.00 C +ATOM 706 HZ2 TRP 43 29.580 11.370 50.310 1.00 0.00 H +ATOM 707 CH2 TRP 43 28.950 11.220 48.350 1.00 0.00 C +ATOM 708 HH2 TRP 43 28.572 10.222 48.520 1.00 0.00 H +ATOM 709 C TRP 43 32.630 16.570 44.880 1.00 0.00 C +ATOM 710 O TRP 43 31.820 17.230 44.240 1.00 0.00 O +ATOM 711 N ARG 44 33.970 16.710 44.680 1.00 0.00 N +ATOM 712 HN ARG 44 34.700 16.240 45.170 1.00 0.00 H +ATOM 713 CA ARG 44 34.560 17.440 43.550 1.00 0.00 C +ATOM 714 HA ARG 44 34.350 18.484 43.730 1.00 0.00 H +ATOM 715 CB ARG 44 36.090 17.220 43.540 1.00 0.00 C +ATOM 716 HB1 ARG 44 36.408 17.796 44.436 1.00 0.00 H +ATOM 717 HB2 ARG 44 36.450 16.192 43.760 1.00 0.00 H +ATOM 718 CG ARG 44 36.750 17.770 42.230 1.00 0.00 C +ATOM 719 HG1 ARG 44 36.468 17.146 41.356 1.00 0.00 H +ATOM 720 HG2 ARG 44 36.450 18.818 42.010 1.00 0.00 H +ATOM 721 CD ARG 44 38.290 17.710 42.150 1.00 0.00 C +ATOM 722 HD1 ARG 44 38.570 16.664 42.400 1.00 0.00 H +ATOM 723 HD2 ARG 44 38.598 17.928 41.106 1.00 0.00 H +ATOM 724 NE ARG 44 38.880 18.730 43.040 1.00 0.00 N +ATOM 725 HE ARG 44 39.168 18.530 43.976 1.00 0.00 H +ATOM 726 CZ ARG 44 39.150 19.990 42.750 1.00 0.00 C +ATOM 727 NH1 ARG 44 39.030 20.520 41.540 1.00 0.00 N +ATOM 728 1HH1 ARG 44 38.802 19.972 40.734 1.00 0.00 H +ATOM 729 2HH1 ARG 44 39.500 21.398 41.450 1.00 0.00 H +ATOM 730 NH2 ARG 44 39.710 20.730 43.640 1.00 0.00 N +ATOM 731 1HH2 ARG 44 40.140 20.280 44.422 1.00 0.00 H +ATOM 732 2HH2 ARG 44 40.042 21.584 43.238 1.00 0.00 H +ATOM 733 C ARG 44 33.940 17.040 42.200 1.00 0.00 C +ATOM 734 O ARG 44 33.730 17.950 41.430 1.00 0.00 O +ATOM 735 N THR 45 33.650 15.740 41.800 1.00 0.00 N +ATOM 736 HN THR 45 33.870 14.930 42.340 1.00 0.00 H +ATOM 737 CA THR 45 33.000 15.410 40.560 1.00 0.00 C +ATOM 738 HA THR 45 33.620 15.940 39.850 1.00 0.00 H +ATOM 739 CB THR 45 32.920 13.930 40.230 1.00 0.00 C +ATOM 740 HB THR 45 32.216 13.498 40.974 1.00 0.00 H +ATOM 741 OG1 THR 45 34.250 13.350 40.240 1.00 0.00 O +ATOM 742 HG1 THR 45 34.834 14.084 40.032 1.00 0.00 H +ATOM 743 CG2 THR 45 32.360 13.620 38.830 1.00 0.00 C +ATOM 744 1HG2 THR 45 32.798 14.328 38.092 1.00 0.00 H +ATOM 745 2HG2 THR 45 32.600 12.580 38.520 1.00 0.00 H +ATOM 746 3HG2 THR 45 31.252 13.680 38.820 1.00 0.00 H +ATOM 747 C THR 45 31.630 15.960 40.390 1.00 0.00 C +ATOM 748 O THR 45 31.330 16.530 39.330 1.00 0.00 O +ATOM 749 N GLU 46 30.730 15.860 41.450 1.00 0.00 N +ATOM 750 HN GLU 46 30.930 15.322 42.266 1.00 0.00 H +ATOM 751 CA GLU 46 29.480 16.530 41.500 1.00 0.00 C +ATOM 752 HA GLU 46 28.902 16.192 40.652 1.00 0.00 H +ATOM 753 CB GLU 46 28.700 16.160 42.780 1.00 0.00 C +ATOM 754 HB1 GLU 46 29.382 16.260 43.652 1.00 0.00 H +ATOM 755 HB2 GLU 46 27.814 16.766 43.068 1.00 0.00 H +ATOM 756 CG GLU 46 28.150 14.670 42.590 1.00 0.00 C +ATOM 757 HG1 GLU 46 27.478 14.480 43.454 1.00 0.00 H +ATOM 758 HG2 GLU 46 27.460 14.600 41.722 1.00 0.00 H +ATOM 759 CD GLU 46 29.110 13.550 42.750 1.00 0.00 C +ATOM 760 OE1 GLU 46 30.200 13.740 43.380 1.00 0.00 O +ATOM 761 OE2 GLU 46 28.810 12.500 42.210 1.00 0.00 O +ATOM 762 C GLU 46 29.570 18.030 41.380 1.00 0.00 C +ATOM 763 O GLU 46 28.920 18.610 40.560 1.00 0.00 O +ATOM 764 N LEU 47 30.520 18.690 42.080 1.00 0.00 N +ATOM 765 HN LEU 47 31.022 18.178 42.772 1.00 0.00 H +ATOM 766 CA LEU 47 30.850 20.090 41.990 1.00 0.00 C +ATOM 767 HA LEU 47 29.956 20.662 42.190 1.00 0.00 H +ATOM 768 CB LEU 47 31.890 20.310 43.060 1.00 0.00 C +ATOM 769 HB1 LEU 47 31.542 19.912 44.036 1.00 0.00 H +ATOM 770 HB2 LEU 47 32.810 19.710 42.890 1.00 0.00 H +ATOM 771 CG LEU 47 32.110 21.770 43.280 1.00 0.00 C +ATOM 772 HG LEU 47 32.330 22.312 42.336 1.00 0.00 H +ATOM 773 CD1 LEU 47 30.930 22.580 43.750 1.00 0.00 C +ATOM 774 1HD1 LEU 47 31.280 23.632 43.820 1.00 0.00 H +ATOM 775 2HD1 LEU 47 30.140 22.610 42.970 1.00 0.00 H +ATOM 776 3HD1 LEU 47 30.468 22.190 44.682 1.00 0.00 H +ATOM 777 CD2 LEU 47 33.330 22.090 44.150 1.00 0.00 C +ATOM 778 1HD2 LEU 47 33.150 21.880 45.226 1.00 0.00 H +ATOM 779 2HD2 LEU 47 34.196 21.446 43.888 1.00 0.00 H +ATOM 780 3HD2 LEU 47 33.630 23.160 44.140 1.00 0.00 H +ATOM 781 C LEU 47 31.350 20.520 40.680 1.00 0.00 C +ATOM 782 O LEU 47 31.010 21.600 40.140 1.00 0.00 O +ATOM 783 N GLU 48 32.240 19.740 40.060 1.00 0.00 N +ATOM 784 HN GLU 48 32.778 19.072 40.568 1.00 0.00 H +ATOM 785 CA GLU 48 32.700 20.070 38.720 1.00 0.00 C +ATOM 786 HA GLU 48 33.062 21.086 38.750 1.00 0.00 H +ATOM 787 CB GLU 48 34.000 19.250 38.400 1.00 0.00 C +ATOM 788 HB1 GLU 48 33.920 18.160 38.600 1.00 0.00 H +ATOM 789 HB2 GLU 48 34.260 19.330 37.322 1.00 0.00 H +ATOM 790 CG GLU 48 35.300 19.700 39.170 1.00 0.00 C +ATOM 791 HG1 GLU 48 35.430 20.782 38.960 1.00 0.00 H +ATOM 792 HG2 GLU 48 35.170 19.610 40.270 1.00 0.00 H +ATOM 793 CD GLU 48 36.600 18.910 38.850 1.00 0.00 C +ATOM 794 OE1 GLU 48 36.500 17.750 38.390 1.00 0.00 O +ATOM 795 OE2 GLU 48 37.660 19.370 39.320 1.00 0.00 O +ATOM 796 C GLU 48 31.590 19.960 37.620 1.00 0.00 C +ATOM 797 O GLU 48 31.450 20.820 36.730 1.00 0.00 O +ATOM 798 N ASN 49 30.720 18.960 37.810 1.00 0.00 N +ATOM 799 HN ASN 49 30.780 18.452 38.666 1.00 0.00 H +ATOM 800 CA ASN 49 29.460 18.790 37.110 1.00 0.00 C +ATOM 801 HA ASN 49 29.790 18.810 36.082 1.00 0.00 H +ATOM 802 CB ASN 49 28.780 17.480 37.460 1.00 0.00 C +ATOM 803 HB1 ASN 49 28.730 17.210 38.536 1.00 0.00 H +ATOM 804 HB2 ASN 49 27.804 17.440 36.932 1.00 0.00 H +ATOM 805 CG ASN 49 29.520 16.270 36.850 1.00 0.00 C +ATOM 806 OD1 ASN 49 28.930 15.160 36.760 1.00 0.00 O +ATOM 807 ND2 ASN 49 30.760 16.370 36.420 1.00 0.00 N +ATOM 808 1HD2 ASN 49 31.060 17.320 36.330 1.00 0.00 H +ATOM 809 2HD2 ASN 49 31.260 15.530 36.210 1.00 0.00 H +ATOM 810 C ASN 49 28.470 19.970 37.230 1.00 0.00 C +ATOM 811 O ASN 49 27.940 20.440 36.200 1.00 0.00 O +ATOM 812 N GLY 50 28.310 20.530 38.430 1.00 0.00 N +ATOM 813 HN GLY 50 28.778 20.132 39.216 1.00 0.00 H +ATOM 814 CA GLY 50 27.510 21.740 38.650 1.00 0.00 C +ATOM 815 HA1 GLY 50 26.504 21.458 38.378 1.00 0.00 H +ATOM 816 HA2 GLY 50 27.730 21.990 39.678 1.00 0.00 H +ATOM 817 C GLY 50 27.940 22.940 37.800 1.00 0.00 C +ATOM 818 O GLY 50 27.200 23.550 37.050 1.00 0.00 O +ATOM 819 N ILE 51 29.290 23.260 37.950 1.00 0.00 N +ATOM 820 HN ILE 51 29.760 22.740 38.660 1.00 0.00 H +ATOM 821 CA ILE 51 29.890 24.440 37.280 1.00 0.00 C +ATOM 822 HA ILE 51 29.480 25.390 37.590 1.00 0.00 H +ATOM 823 CB ILE 51 31.410 24.590 37.530 1.00 0.00 C +ATOM 824 HB ILE 51 31.902 23.638 37.240 1.00 0.00 H +ATOM 825 CG2 ILE 51 32.030 25.720 36.690 1.00 0.00 C +ATOM 826 1HG2 ILE 51 32.100 25.482 35.606 1.00 0.00 H +ATOM 827 2HG2 ILE 51 31.358 26.604 36.710 1.00 0.00 H +ATOM 828 3HG2 ILE 51 32.982 26.120 37.100 1.00 0.00 H +ATOM 829 CG1 ILE 51 31.620 24.900 39.040 1.00 0.00 C +ATOM 830 1HG1 ILE 51 31.550 26.006 39.110 1.00 0.00 H +ATOM 831 2HG1 ILE 51 30.868 24.358 39.652 1.00 0.00 H +ATOM 832 CD ILE 51 33.000 24.460 39.600 1.00 0.00 C +ATOM 833 HD1 ILE 51 33.770 24.980 38.990 1.00 0.00 H +ATOM 834 HD2 ILE 51 33.170 24.780 40.650 1.00 0.00 H +ATOM 835 HD3 ILE 51 33.290 23.390 39.540 1.00 0.00 H +ATOM 836 C ILE 51 29.780 24.380 35.720 1.00 0.00 C +ATOM 837 O ILE 51 29.320 25.270 35.010 1.00 0.00 O +ATOM 838 N TYR 52 30.050 23.180 35.200 1.00 0.00 N +ATOM 839 HN TYR 52 30.402 22.428 35.752 1.00 0.00 H +ATOM 840 CA TYR 52 29.900 23.030 33.770 1.00 0.00 C +ATOM 841 HA TYR 52 30.488 23.848 33.380 1.00 0.00 H +ATOM 842 CB TYR 52 30.710 21.810 33.390 1.00 0.00 C +ATOM 843 HB1 TYR 52 31.760 22.080 33.630 1.00 0.00 H +ATOM 844 HB2 TYR 52 30.482 20.948 34.054 1.00 0.00 H +ATOM 845 CG TYR 52 30.570 21.440 31.930 1.00 0.00 C +ATOM 846 CD1 TYR 52 31.570 21.900 31.040 1.00 0.00 C +ATOM 847 HD1 TYR 52 32.474 22.392 31.362 1.00 0.00 H +ATOM 848 CE1 TYR 52 31.470 21.570 29.640 1.00 0.00 C +ATOM 849 HE1 TYR 52 32.184 22.006 28.956 1.00 0.00 H +ATOM 850 CZ TYR 52 30.440 20.810 29.150 1.00 0.00 C +ATOM 851 OH TYR 52 30.280 20.570 27.740 1.00 0.00 O +ATOM 852 HH TYR 52 30.898 21.128 27.262 1.00 0.00 H +ATOM 853 CD2 TYR 52 29.490 20.670 31.410 1.00 0.00 C +ATOM 854 HD2 TYR 52 28.660 20.350 32.020 1.00 0.00 H +ATOM 855 CE2 TYR 52 29.550 20.250 30.010 1.00 0.00 C +ATOM 856 HE2 TYR 52 28.736 19.628 29.668 1.00 0.00 H +ATOM 857 C TYR 52 28.520 23.160 33.180 1.00 0.00 C +ATOM 858 O TYR 52 28.350 23.890 32.220 1.00 0.00 O +ATOM 859 N ALA 53 27.550 22.480 33.830 1.00 0.00 N +ATOM 860 HN ALA 53 27.850 22.140 34.718 1.00 0.00 H +ATOM 861 CA ALA 53 26.180 22.180 33.380 1.00 0.00 C +ATOM 862 HA ALA 53 26.240 21.620 32.458 1.00 0.00 H +ATOM 863 CB ALA 53 25.460 21.370 34.450 1.00 0.00 C +ATOM 864 HB1 ALA 53 25.822 21.802 35.406 1.00 0.00 H +ATOM 865 HB2 ALA 53 24.350 21.420 34.470 1.00 0.00 H +ATOM 866 HB3 ALA 53 25.830 20.322 34.480 1.00 0.00 H +ATOM 867 C ALA 53 25.410 23.510 33.170 1.00 0.00 C +ATOM 868 O ALA 53 24.600 23.610 32.230 1.00 0.00 O +ATOM 869 N ALA 54 25.660 24.570 33.970 1.00 0.00 N +ATOM 870 HN ALA 54 26.416 24.490 34.616 1.00 0.00 H +ATOM 871 CA ALA 54 25.090 25.930 33.920 1.00 0.00 C +ATOM 872 HA ALA 54 24.058 25.760 34.190 1.00 0.00 H +ATOM 873 CB ALA 54 25.790 26.860 34.940 1.00 0.00 C +ATOM 874 HB1 ALA 54 25.820 26.432 35.966 1.00 0.00 H +ATOM 875 HB2 ALA 54 26.826 27.030 34.578 1.00 0.00 H +ATOM 876 HB3 ALA 54 25.210 27.800 35.060 1.00 0.00 H +ATOM 877 C ALA 54 25.060 26.560 32.500 1.00 0.00 C +ATOM 878 O ALA 54 24.080 27.220 32.170 1.00 0.00 O +ATOM 879 N ASP 55 26.180 26.420 31.780 1.00 0.00 N +ATOM 880 HN ASP 55 26.932 25.988 32.272 1.00 0.00 H +ATOM 881 CA ASP 55 26.500 27.000 30.470 1.00 0.00 C +ATOM 882 HA ASP 55 25.734 27.756 30.390 1.00 0.00 H +ATOM 883 CB ASP 55 28.050 27.370 30.480 1.00 0.00 C +ATOM 884 HB1 ASP 55 28.140 27.908 31.448 1.00 0.00 H +ATOM 885 HB2 ASP 55 28.712 26.478 30.460 1.00 0.00 H +ATOM 886 CG ASP 55 28.510 28.320 29.340 1.00 0.00 C +ATOM 887 OD1 ASP 55 27.940 29.360 29.110 1.00 0.00 O +ATOM 888 OD2 ASP 55 29.560 28.090 28.730 1.00 0.00 O +ATOM 889 C ASP 55 26.240 26.040 29.270 1.00 0.00 C +ATOM 890 O ASP 55 26.270 26.330 28.100 1.00 0.00 O +ATOM 891 N TYR 56 25.910 24.770 29.580 1.00 0.00 N +ATOM 892 HN TYR 56 25.780 24.460 30.518 1.00 0.00 H +ATOM 893 CA TYR 56 25.800 23.790 28.530 1.00 0.00 C +ATOM 894 HA TYR 56 25.760 24.260 27.558 1.00 0.00 H +ATOM 895 CB TYR 56 26.990 22.800 28.640 1.00 0.00 C +ATOM 896 HB1 TYR 56 27.210 22.550 29.700 1.00 0.00 H +ATOM 897 HB2 TYR 56 26.860 21.846 28.088 1.00 0.00 H +ATOM 898 CG TYR 56 28.280 23.320 28.020 1.00 0.00 C +ATOM 899 CD1 TYR 56 28.430 23.260 26.600 1.00 0.00 C +ATOM 900 HD1 TYR 56 27.798 22.698 25.928 1.00 0.00 H +ATOM 901 CE1 TYR 56 29.560 23.750 26.060 1.00 0.00 C +ATOM 902 HE1 TYR 56 29.660 23.780 24.984 1.00 0.00 H +ATOM 903 CZ TYR 56 30.590 24.350 26.860 1.00 0.00 C +ATOM 904 OH TYR 56 31.650 24.870 26.180 1.00 0.00 O +ATOM 905 HH TYR 56 31.880 25.680 26.640 1.00 0.00 H +ATOM 906 CD2 TYR 56 29.180 23.980 28.820 1.00 0.00 C +ATOM 907 HD2 TYR 56 29.060 24.212 29.868 1.00 0.00 H +ATOM 908 CE2 TYR 56 30.400 24.470 28.250 1.00 0.00 C +ATOM 909 HE2 TYR 56 31.078 25.008 28.898 1.00 0.00 H +ATOM 910 C TYR 56 24.550 22.980 28.490 1.00 0.00 C +ATOM 911 O TYR 56 24.510 22.130 27.580 1.00 0.00 O +ATOM 912 N GLU 57 23.490 23.260 29.380 1.00 0.00 N +ATOM 913 HN GLU 57 23.520 23.960 30.090 1.00 0.00 H +ATOM 914 CA GLU 57 22.410 22.370 29.480 1.00 0.00 C +ATOM 915 HA GLU 57 22.170 21.960 28.510 1.00 0.00 H +ATOM 916 CB GLU 57 22.750 21.260 30.490 1.00 0.00 C +ATOM 917 HB1 GLU 57 23.620 20.710 30.070 1.00 0.00 H +ATOM 918 HB2 GLU 57 23.248 21.688 31.386 1.00 0.00 H +ATOM 919 CG GLU 57 21.620 20.210 30.790 1.00 0.00 C +ATOM 920 HG1 GLU 57 20.770 20.720 31.290 1.00 0.00 H +ATOM 921 HG2 GLU 57 21.280 19.702 29.862 1.00 0.00 H +ATOM 922 CD GLU 57 22.110 19.160 31.750 1.00 0.00 C +ATOM 923 OE1 GLU 57 23.350 18.870 31.770 1.00 0.00 O +ATOM 924 OE2 GLU 57 21.270 18.510 32.420 1.00 0.00 O +ATOM 925 C GLU 57 21.160 23.200 29.900 1.00 0.00 C +ATOM 926 O GLU 57 21.220 24.300 30.520 1.00 0.00 O +ATOM 927 N ASN 58 19.950 22.670 29.590 1.00 0.00 N +ATOM 928 HN ASN 58 20.000 21.836 29.044 1.00 0.00 H +ATOM 929 CA ASN 58 18.690 23.180 30.090 1.00 0.00 C +ATOM 930 HA ASN 58 18.660 24.232 29.850 1.00 0.00 H +ATOM 931 CB ASN 58 17.600 22.620 29.160 1.00 0.00 C +ATOM 932 HB1 ASN 58 17.540 21.510 29.130 1.00 0.00 H +ATOM 933 HB2 ASN 58 16.626 23.092 29.410 1.00 0.00 H +ATOM 934 CG ASN 58 17.780 23.070 27.680 1.00 0.00 C +ATOM 935 OD1 ASN 58 18.040 22.330 26.740 1.00 0.00 O +ATOM 936 ND2 ASN 58 17.490 24.330 27.390 1.00 0.00 N +ATOM 937 1HD2 ASN 58 17.058 24.932 28.062 1.00 0.00 H +ATOM 938 2HD2 ASN 58 17.168 24.410 26.446 1.00 0.00 H +ATOM 939 C ASN 58 18.310 22.760 31.560 1.00 0.00 C +ATOM 940 O ASN 58 18.680 21.680 31.970 1.00 0.00 O +ATOM 941 N PRO 59 17.590 23.540 32.320 1.00 0.00 N +ATOM 942 CD PRO 59 16.920 23.010 33.530 1.00 0.00 C +ATOM 943 HD1 PRO 59 17.580 22.470 34.240 1.00 0.00 H +ATOM 944 HD2 PRO 59 15.912 22.582 33.340 1.00 0.00 H +ATOM 945 CA PRO 59 17.030 24.930 32.050 1.00 0.00 C +ATOM 946 HA PRO 59 16.520 24.950 31.098 1.00 0.00 H +ATOM 947 CB PRO 59 16.080 25.180 33.140 1.00 0.00 C +ATOM 948 HB1 PRO 59 15.980 26.222 33.510 1.00 0.00 H +ATOM 949 HB2 PRO 59 15.048 24.890 32.850 1.00 0.00 H +ATOM 950 CG PRO 59 16.590 24.270 34.260 1.00 0.00 C +ATOM 951 HG1 PRO 59 17.420 24.750 34.820 1.00 0.00 H +ATOM 952 HG2 PRO 59 15.814 24.052 35.026 1.00 0.00 H +ATOM 953 C PRO 59 18.110 25.980 32.010 1.00 0.00 C +ATOM 954 O PRO 59 17.960 27.050 31.400 1.00 0.00 O +ATOM 955 N TYR 60 19.260 25.740 32.650 1.00 0.00 N +ATOM 956 HN TYR 60 19.390 24.776 32.870 1.00 0.00 H +ATOM 957 CA TYR 60 20.340 26.560 33.080 1.00 0.00 C +ATOM 958 HA TYR 60 19.988 27.084 33.956 1.00 0.00 H +ATOM 959 CB TYR 60 21.550 25.720 33.660 1.00 0.00 C +ATOM 960 HB1 TYR 60 22.254 25.560 32.816 1.00 0.00 H +ATOM 961 HB2 TYR 60 22.020 26.358 34.438 1.00 0.00 H +ATOM 962 CG TYR 60 21.140 24.540 34.330 1.00 0.00 C +ATOM 963 CD1 TYR 60 20.390 24.490 35.510 1.00 0.00 C +ATOM 964 HD1 TYR 60 20.092 25.396 36.018 1.00 0.00 H +ATOM 965 CE1 TYR 60 19.960 23.300 36.050 1.00 0.00 C +ATOM 966 HE1 TYR 60 19.422 23.310 36.986 1.00 0.00 H +ATOM 967 CZ TYR 60 20.390 22.080 35.560 1.00 0.00 C +ATOM 968 OH TYR 60 20.050 20.890 36.140 1.00 0.00 O +ATOM 969 HH TYR 60 20.492 20.128 35.758 1.00 0.00 H +ATOM 970 CD2 TYR 60 21.470 23.270 33.760 1.00 0.00 C +ATOM 971 HD2 TYR 60 22.110 23.250 32.890 1.00 0.00 H +ATOM 972 CE2 TYR 60 21.110 22.090 34.390 1.00 0.00 C +ATOM 973 HE2 TYR 60 21.380 21.192 33.852 1.00 0.00 H +ATOM 974 C TYR 60 20.800 27.610 32.030 1.00 0.00 C +ATOM 975 O TYR 60 20.880 28.770 32.430 1.00 0.00 O +ATOM 976 N TYR 61 21.100 27.280 30.810 1.00 0.00 N +ATOM 977 HN TYR 61 21.080 26.322 30.530 1.00 0.00 H +ATOM 978 CA TYR 61 21.540 28.210 29.750 1.00 0.00 C +ATOM 979 HA TYR 61 22.050 28.958 30.340 1.00 0.00 H +ATOM 980 CB TYR 61 22.610 27.490 28.900 1.00 0.00 C +ATOM 981 HB1 TYR 61 23.170 28.248 28.312 1.00 0.00 H +ATOM 982 HB2 TYR 61 23.324 27.046 29.624 1.00 0.00 H +ATOM 983 CG TYR 61 22.260 26.580 27.790 1.00 0.00 C +ATOM 984 CD1 TYR 61 21.040 25.890 27.670 1.00 0.00 C +ATOM 985 HD1 TYR 61 20.340 26.020 28.482 1.00 0.00 H +ATOM 986 CE1 TYR 61 20.780 24.960 26.670 1.00 0.00 C +ATOM 987 HE1 TYR 61 19.870 24.380 26.630 1.00 0.00 H +ATOM 988 CZ TYR 61 21.770 24.760 25.660 1.00 0.00 C +ATOM 989 OH TYR 61 21.680 23.760 24.640 1.00 0.00 O +ATOM 990 HH TYR 61 20.884 23.234 24.750 1.00 0.00 H +ATOM 991 CD2 TYR 61 23.100 26.400 26.720 1.00 0.00 C +ATOM 992 HD2 TYR 61 24.098 26.808 26.790 1.00 0.00 H +ATOM 993 CE2 TYR 61 22.970 25.480 25.660 1.00 0.00 C +ATOM 994 HE2 TYR 61 23.824 25.380 25.004 1.00 0.00 H +ATOM 995 C TYR 61 20.460 28.900 28.930 1.00 0.00 C +ATOM 996 O TYR 61 20.800 29.520 27.920 1.00 0.00 O +ATOM 997 N ASP 62 19.180 28.740 29.350 1.00 0.00 N +ATOM 998 HN ASP 62 19.120 28.390 30.282 1.00 0.00 H +ATOM 999 CA ASP 62 18.010 29.270 28.720 1.00 0.00 C +ATOM 1000 HA ASP 62 17.214 28.702 29.178 1.00 0.00 H +ATOM 1001 CB ASP 62 17.990 30.820 29.100 1.00 0.00 C +ATOM 1002 HB1 ASP 62 18.956 31.318 28.870 1.00 0.00 H +ATOM 1003 HB2 ASP 62 17.158 31.340 28.580 1.00 0.00 H +ATOM 1004 CG ASP 62 17.870 30.980 30.590 1.00 0.00 C +ATOM 1005 OD1 ASP 62 16.970 30.260 31.170 1.00 0.00 O +ATOM 1006 OD2 ASP 62 18.530 31.910 31.150 1.00 0.00 O +ATOM 1007 C ASP 62 17.850 29.010 27.240 1.00 0.00 C +ATOM 1008 O ASP 62 17.820 29.950 26.430 1.00 0.00 O +ATOM 1009 N ASN 63 17.840 27.700 26.890 1.00 0.00 N +ATOM 1010 HN ASN 63 17.750 27.066 27.654 1.00 0.00 H +ATOM 1011 CA ASN 63 17.920 27.210 25.500 1.00 0.00 C +ATOM 1012 HA ASN 63 18.270 26.188 25.520 1.00 0.00 H +ATOM 1013 CB ASN 63 16.580 27.220 24.730 1.00 0.00 C +ATOM 1014 HB1 ASN 63 16.200 28.262 24.690 1.00 0.00 H +ATOM 1015 HB2 ASN 63 16.690 26.812 23.702 1.00 0.00 H +ATOM 1016 CG ASN 63 15.440 26.490 25.380 1.00 0.00 C +ATOM 1017 OD1 ASN 63 14.530 27.130 25.940 1.00 0.00 O +ATOM 1018 ND2 ASN 63 15.410 25.120 25.370 1.00 0.00 N +ATOM 1019 1HD2 ASN 63 16.062 24.700 24.738 1.00 0.00 H +ATOM 1020 2HD2 ASN 63 14.650 24.680 25.850 1.00 0.00 H +ATOM 1021 C ASN 63 18.910 27.950 24.610 1.00 0.00 C +ATOM 1022 O ASN 63 18.500 28.430 23.530 1.00 0.00 O +ATOM 1023 N SER 64 20.240 28.080 24.940 1.00 0.00 N +ATOM 1024 HN SER 64 20.570 27.740 25.818 1.00 0.00 H +ATOM 1025 CA SER 64 21.300 28.800 24.270 1.00 0.00 C +ATOM 1026 HA SER 64 22.168 28.540 24.858 1.00 0.00 H +ATOM 1027 CB SER 64 21.490 28.370 22.800 1.00 0.00 C +ATOM 1028 HB1 SER 64 20.488 28.560 22.360 1.00 0.00 H +ATOM 1029 HB2 SER 64 22.252 28.932 22.218 1.00 0.00 H +ATOM 1030 OG SER 64 21.800 27.000 22.900 1.00 0.00 O +ATOM 1031 HG1 SER 64 22.708 26.930 23.202 1.00 0.00 H +ATOM 1032 C SER 64 21.280 30.320 24.310 1.00 0.00 C +ATOM 1033 O SER 64 22.160 31.050 23.730 1.00 0.00 O +ATOM 1034 N THR 65 20.340 30.960 25.080 1.00 0.00 N +ATOM 1035 HN THR 65 19.704 30.542 25.726 1.00 0.00 H +ATOM 1036 CA THR 65 20.260 32.430 25.120 1.00 0.00 C +ATOM 1037 HA THR 65 20.720 32.840 24.232 1.00 0.00 H +ATOM 1038 CB THR 65 18.850 33.040 25.150 1.00 0.00 C +ATOM 1039 HB THR 65 19.000 34.120 24.940 1.00 0.00 H +ATOM 1040 OG1 THR 65 18.110 32.740 26.420 1.00 0.00 O +ATOM 1041 HG1 THR 65 18.130 31.786 26.530 1.00 0.00 H +ATOM 1042 CG2 THR 65 17.940 32.450 24.010 1.00 0.00 C +ATOM 1043 1HG2 THR 65 16.932 32.910 23.920 1.00 0.00 H +ATOM 1044 2HG2 THR 65 18.408 32.530 23.004 1.00 0.00 H +ATOM 1045 3HG2 THR 65 17.790 31.376 24.250 1.00 0.00 H +ATOM 1046 C THR 65 21.010 33.150 26.240 1.00 0.00 C +ATOM 1047 O THR 65 21.280 34.380 26.210 1.00 0.00 O +ATOM 1048 N PHE 66 21.360 32.340 27.260 1.00 0.00 N +ATOM 1049 HN PHE 66 21.020 31.412 27.120 1.00 0.00 H +ATOM 1050 CA PHE 66 22.210 32.570 28.430 1.00 0.00 C +ATOM 1051 HA PHE 66 22.110 31.666 29.012 1.00 0.00 H +ATOM 1052 CB PHE 66 23.670 33.000 28.080 1.00 0.00 C +ATOM 1053 HB1 PHE 66 23.690 33.908 27.440 1.00 0.00 H +ATOM 1054 HB2 PHE 66 24.288 33.170 28.988 1.00 0.00 H +ATOM 1055 CG PHE 66 24.370 31.980 27.320 1.00 0.00 C +ATOM 1056 CD1 PHE 66 24.470 32.110 25.910 1.00 0.00 C +ATOM 1057 HD1 PHE 66 24.060 32.992 25.440 1.00 0.00 H +ATOM 1058 CE1 PHE 66 24.990 31.040 25.160 1.00 0.00 C +ATOM 1059 HE1 PHE 66 25.000 31.100 24.082 1.00 0.00 H +ATOM 1060 CZ PHE 66 25.410 29.870 25.780 1.00 0.00 C +ATOM 1061 HZ PHE 66 25.702 28.992 25.224 1.00 0.00 H +ATOM 1062 CD2 PHE 66 24.810 30.810 27.950 1.00 0.00 C +ATOM 1063 HD2 PHE 66 24.770 30.710 29.024 1.00 0.00 H +ATOM 1064 CE2 PHE 66 25.300 29.760 27.190 1.00 0.00 C +ATOM 1065 HE2 PHE 66 25.650 28.892 27.730 1.00 0.00 H +ATOM 1066 C PHE 66 21.700 33.640 29.320 1.00 0.00 C +ATOM 1067 O PHE 66 22.450 34.290 30.010 1.00 0.00 O +ATOM 1068 N ALA 67 20.370 33.850 29.280 1.00 0.00 N +ATOM 1069 HN ALA 67 19.822 33.242 28.712 1.00 0.00 H +ATOM 1070 CA ALA 67 19.710 35.030 29.890 1.00 0.00 C +ATOM 1071 HA ALA 67 20.020 35.930 29.380 1.00 0.00 H +ATOM 1072 CB ALA 67 18.200 34.950 29.710 1.00 0.00 C +ATOM 1073 HB1 ALA 67 18.100 35.020 28.606 1.00 0.00 H +ATOM 1074 HB2 ALA 67 17.730 34.000 30.040 1.00 0.00 H +ATOM 1075 HB3 ALA 67 17.580 35.750 30.170 1.00 0.00 H +ATOM 1076 C ALA 67 19.980 35.180 31.340 1.00 0.00 C +ATOM 1077 O ALA 67 20.360 36.210 31.820 1.00 0.00 O +ATOM 1078 N SER 68 19.870 34.120 32.100 1.00 0.00 N +ATOM 1079 HN SER 68 19.540 33.342 31.572 1.00 0.00 H +ATOM 1080 CA SER 68 20.100 33.930 33.510 1.00 0.00 C +ATOM 1081 HA SER 68 19.672 34.816 33.958 1.00 0.00 H +ATOM 1082 CB SER 68 19.570 32.490 33.950 1.00 0.00 C +ATOM 1083 HB1 SER 68 19.710 32.400 35.048 1.00 0.00 H +ATOM 1084 HB2 SER 68 18.496 32.610 33.692 1.00 0.00 H +ATOM 1085 OG SER 68 20.200 31.400 33.220 1.00 0.00 O +ATOM 1086 HG1 SER 68 19.788 31.480 32.356 1.00 0.00 H +ATOM 1087 C SER 68 21.510 34.090 33.940 1.00 0.00 C +ATOM 1088 O SER 68 21.830 34.200 35.140 1.00 0.00 O +ATOM 1089 N HIS 69 22.470 34.170 33.000 1.00 0.00 N +ATOM 1090 HN HIS 69 22.350 34.090 32.014 1.00 0.00 H +ATOM 1091 CA HIS 69 23.840 34.420 33.270 1.00 0.00 C +ATOM 1092 HA HIS 69 23.970 34.022 34.266 1.00 0.00 H +ATOM 1093 CB HIS 69 24.730 33.650 32.320 1.00 0.00 C +ATOM 1094 HB1 HIS 69 24.520 33.940 31.268 1.00 0.00 H +ATOM 1095 HB2 HIS 69 25.816 33.880 32.360 1.00 0.00 H +ATOM 1096 ND1 HIS 69 25.410 31.430 33.050 1.00 0.00 N +ATOM 1097 CG HIS 69 24.420 32.160 32.460 1.00 0.00 C +ATOM 1098 CE1 HIS 69 25.050 30.180 32.870 1.00 0.00 C +ATOM 1099 HE1 HIS 69 25.540 29.322 33.330 1.00 0.00 H +ATOM 1100 NE2 HIS 69 23.910 30.080 32.200 1.00 0.00 N +ATOM 1101 HE2 HIS 69 23.438 29.206 32.100 1.00 0.00 H +ATOM 1102 CD2 HIS 69 23.480 31.350 31.890 1.00 0.00 C +ATOM 1103 HD2 HIS 69 22.562 31.580 31.362 1.00 0.00 H +ATOM 1104 C HIS 69 24.220 35.850 33.250 1.00 0.00 C +ATOM 1105 O HIS 69 25.370 36.200 33.190 1.00 0.00 O +ATOM 1106 N PHE 70 23.290 36.770 33.330 1.00 0.00 N +ATOM 1107 HN PHE 70 22.414 36.292 33.360 1.00 0.00 H +ATOM 1108 CA PHE 70 23.450 38.180 33.390 1.00 0.00 C +ATOM 1109 HA PHE 70 24.506 38.280 33.600 1.00 0.00 H +ATOM 1110 CB PHE 70 23.080 38.790 32.060 1.00 0.00 C +ATOM 1111 HB1 PHE 70 22.038 38.510 31.800 1.00 0.00 H +ATOM 1112 HB2 PHE 70 23.190 39.884 32.220 1.00 0.00 H +ATOM 1113 CG PHE 70 24.040 38.360 30.910 1.00 0.00 C +ATOM 1114 CD1 PHE 70 23.870 37.170 30.250 1.00 0.00 C +ATOM 1115 HD1 PHE 70 23.034 36.582 30.598 1.00 0.00 H +ATOM 1116 CE1 PHE 70 24.620 36.840 29.110 1.00 0.00 C +ATOM 1117 HE1 PHE 70 24.570 35.860 28.660 1.00 0.00 H +ATOM 1118 CZ PHE 70 25.630 37.680 28.710 1.00 0.00 C +ATOM 1119 HZ PHE 70 26.290 37.410 27.900 1.00 0.00 H +ATOM 1120 CD2 PHE 70 24.930 39.260 30.380 1.00 0.00 C +ATOM 1121 HD2 PHE 70 24.900 40.256 30.798 1.00 0.00 H +ATOM 1122 CE2 PHE 70 25.850 38.920 29.340 1.00 0.00 C +ATOM 1123 HE2 PHE 70 26.608 39.628 29.040 1.00 0.00 H +ATOM 1124 C PHE 70 22.640 38.710 34.520 1.00 0.00 C +ATOM 1125 O PHE 70 21.580 38.140 34.850 1.00 0.00 O +ATOM 1126 N TYR 71 23.020 39.800 35.150 1.00 0.00 N +ATOM 1127 HN TYR 71 23.940 40.160 35.020 1.00 0.00 H +ATOM 1128 CA TYR 71 22.250 40.520 36.180 1.00 0.00 C +ATOM 1129 HA TYR 71 21.198 40.530 35.940 1.00 0.00 H +ATOM 1130 CB TYR 71 22.410 39.820 37.540 1.00 0.00 C +ATOM 1131 HB1 TYR 71 21.902 38.832 37.540 1.00 0.00 H +ATOM 1132 HB2 TYR 71 23.490 39.690 37.770 1.00 0.00 H +ATOM 1133 CG TYR 71 21.780 40.590 38.710 1.00 0.00 C +ATOM 1134 CD1 TYR 71 20.510 40.350 39.130 1.00 0.00 C +ATOM 1135 HD1 TYR 71 19.972 39.512 38.712 1.00 0.00 H +ATOM 1136 CE1 TYR 71 19.900 41.070 40.150 1.00 0.00 C +ATOM 1137 HE1 TYR 71 18.900 40.790 40.450 1.00 0.00 H +ATOM 1138 CZ TYR 71 20.620 42.050 40.860 1.00 0.00 C +ATOM 1139 OH TYR 71 19.960 42.720 41.910 1.00 0.00 O +ATOM 1140 HH TYR 71 19.092 42.810 41.510 1.00 0.00 H +ATOM 1141 CD2 TYR 71 22.550 41.520 39.360 1.00 0.00 C +ATOM 1142 HD2 TYR 71 23.538 41.700 38.960 1.00 0.00 H +ATOM 1143 CE2 TYR 71 21.980 42.290 40.420 1.00 0.00 C +ATOM 1144 HE2 TYR 71 22.592 42.972 40.992 1.00 0.00 H +ATOM 1145 C TYR 71 22.760 42.010 36.120 1.00 0.00 C +ATOM 1146 O TYR 71 23.900 42.230 36.560 1.00 0.00 O +ATOM 1147 N ASP 72 21.910 42.940 35.570 1.00 0.00 N +ATOM 1148 HN ASP 72 20.964 42.738 35.328 1.00 0.00 H +ATOM 1149 CA ASP 72 22.270 44.350 35.680 1.00 0.00 C +ATOM 1150 HA ASP 72 23.338 44.500 35.640 1.00 0.00 H +ATOM 1151 CB ASP 72 21.710 45.200 34.530 1.00 0.00 C +ATOM 1152 HB1 ASP 72 22.230 45.000 33.570 1.00 0.00 H +ATOM 1153 HB2 ASP 72 20.614 45.020 34.560 1.00 0.00 H +ATOM 1154 CG ASP 72 21.920 46.720 34.710 1.00 0.00 C +ATOM 1155 OD1 ASP 72 22.020 47.260 35.840 1.00 0.00 O +ATOM 1156 OD2 ASP 72 21.880 47.470 33.730 1.00 0.00 O +ATOM 1157 C ASP 72 21.790 44.830 37.100 1.00 0.00 C +ATOM 1158 O ASP 72 20.600 44.730 37.390 1.00 0.00 O +ATOM 1159 N PRO 73 22.690 45.400 37.950 1.00 0.00 N +ATOM 1160 CD PRO 73 24.100 45.650 37.720 1.00 0.00 C +ATOM 1161 HD1 PRO 73 24.100 46.352 36.858 1.00 0.00 H +ATOM 1162 HD2 PRO 73 24.508 44.644 37.482 1.00 0.00 H +ATOM 1163 CA PRO 73 22.390 45.670 39.350 1.00 0.00 C +ATOM 1164 HA PRO 73 21.774 44.854 39.698 1.00 0.00 H +ATOM 1165 CB PRO 73 23.660 45.770 40.070 1.00 0.00 C +ATOM 1166 HB1 PRO 73 23.730 46.578 40.828 1.00 0.00 H +ATOM 1167 HB2 PRO 73 24.000 44.768 40.410 1.00 0.00 H +ATOM 1168 CG PRO 73 24.660 46.210 38.970 1.00 0.00 C +ATOM 1169 HG1 PRO 73 24.710 47.320 39.010 1.00 0.00 H +ATOM 1170 HG2 PRO 73 25.712 45.900 39.140 1.00 0.00 H +ATOM 1171 C PRO 73 21.500 46.900 39.520 1.00 0.00 C +ATOM 1172 O PRO 73 20.780 46.950 40.520 1.00 0.00 O +ATOM 1173 N ASP 74 21.510 47.850 38.560 1.00 0.00 N +ATOM 1174 HN ASP 74 22.000 47.730 37.700 1.00 0.00 H +ATOM 1175 CA ASP 74 20.710 49.080 38.600 1.00 0.00 C +ATOM 1176 HA ASP 74 20.710 49.430 39.622 1.00 0.00 H +ATOM 1177 CB ASP 74 21.320 50.090 37.560 1.00 0.00 C +ATOM 1178 HB1 ASP 74 21.380 49.622 36.554 1.00 0.00 H +ATOM 1179 HB2 ASP 74 20.706 51.016 37.570 1.00 0.00 H +ATOM 1180 CG ASP 74 22.710 50.480 38.020 1.00 0.00 C +ATOM 1181 OD1 ASP 74 22.960 50.800 39.180 1.00 0.00 O +ATOM 1182 OD2 ASP 74 23.580 50.510 37.110 1.00 0.00 O +ATOM 1183 C ASP 74 19.210 48.840 38.340 1.00 0.00 C +ATOM 1184 O ASP 74 18.360 49.290 39.090 1.00 0.00 O +ATOM 1185 N ASN 75 18.880 48.130 37.320 1.00 0.00 N +ATOM 1186 HN ASN 75 19.530 47.740 36.670 1.00 0.00 H +ATOM 1187 CA ASN 75 17.460 47.960 36.940 1.00 0.00 C +ATOM 1188 HA ASN 75 16.900 48.710 37.480 1.00 0.00 H +ATOM 1189 CB ASN 75 17.240 48.230 35.410 1.00 0.00 C +ATOM 1190 HB1 ASN 75 16.170 48.000 35.220 1.00 0.00 H +ATOM 1191 HB2 ASN 75 17.520 49.288 35.220 1.00 0.00 H +ATOM 1192 CG ASN 75 17.980 47.340 34.400 1.00 0.00 C +ATOM 1193 OD1 ASN 75 18.150 46.150 34.610 1.00 0.00 O +ATOM 1194 ND2 ASN 75 18.250 47.940 33.210 1.00 0.00 N +ATOM 1195 1HD2 ASN 75 18.250 48.936 33.110 1.00 0.00 H +ATOM 1196 2HD2 ASN 75 18.820 47.390 32.600 1.00 0.00 H +ATOM 1197 C ASN 75 16.900 46.610 37.280 1.00 0.00 C +ATOM 1198 O ASN 75 15.690 46.410 37.160 1.00 0.00 O +ATOM 1199 N GLY 76 17.720 45.620 37.680 1.00 0.00 N +ATOM 1200 HN GLY 76 18.670 45.790 37.430 1.00 0.00 H +ATOM 1201 CA GLY 76 17.250 44.230 38.080 1.00 0.00 C +ATOM 1202 HA1 GLY 76 18.110 43.670 38.420 1.00 0.00 H +ATOM 1203 HA2 GLY 76 16.458 44.370 38.802 1.00 0.00 H +ATOM 1204 C GLY 76 16.730 43.400 36.940 1.00 0.00 C +ATOM 1205 O GLY 76 15.850 42.570 37.080 1.00 0.00 O +ATOM 1206 N LYS 77 17.270 43.640 35.710 1.00 0.00 N +ATOM 1207 HN LYS 77 17.930 44.380 35.610 1.00 0.00 H +ATOM 1208 CA LYS 77 16.830 42.880 34.540 1.00 0.00 C +ATOM 1209 HA LYS 77 16.352 41.932 34.740 1.00 0.00 H +ATOM 1210 CB LYS 77 16.110 43.760 33.460 1.00 0.00 C +ATOM 1211 HB1 LYS 77 16.730 44.540 32.970 1.00 0.00 H +ATOM 1212 HB2 LYS 77 16.000 43.090 32.580 1.00 0.00 H +ATOM 1213 CG LYS 77 14.830 44.450 33.940 1.00 0.00 C +ATOM 1214 HG1 LYS 77 14.040 43.740 34.270 1.00 0.00 H +ATOM 1215 HG2 LYS 77 14.970 45.052 34.862 1.00 0.00 H +ATOM 1216 CD LYS 77 14.220 45.320 32.860 1.00 0.00 C +ATOM 1217 HD1 LYS 77 15.018 45.948 32.410 1.00 0.00 H +ATOM 1218 HD2 LYS 77 13.850 44.670 32.040 1.00 0.00 H +ATOM 1219 CE LYS 77 12.980 45.970 33.420 1.00 0.00 C +ATOM 1220 HE1 LYS 77 12.126 45.266 33.510 1.00 0.00 H +ATOM 1221 HE2 LYS 77 13.130 46.402 34.432 1.00 0.00 H +ATOM 1222 NZ LYS 77 12.570 47.120 32.610 1.00 0.00 N +ATOM 1223 HZ1 LYS 77 12.450 46.870 31.608 1.00 0.00 H +ATOM 1224 HZ2 LYS 77 11.642 47.370 33.010 1.00 0.00 H +ATOM 1225 HZ3 LYS 77 13.194 47.944 32.720 1.00 0.00 H +ATOM 1226 C LYS 77 18.110 42.320 33.930 1.00 0.00 C +ATOM 1227 O LYS 77 19.270 42.760 34.160 1.00 0.00 O +ATOM 1228 N THR 78 17.980 41.300 33.100 1.00 0.00 N +ATOM 1229 HN THR 78 17.016 41.050 33.060 1.00 0.00 H +ATOM 1230 CA THR 78 18.860 40.780 32.050 1.00 0.00 C +ATOM 1231 HA THR 78 19.820 41.200 32.310 1.00 0.00 H +ATOM 1232 CB THR 78 19.060 39.230 32.050 1.00 0.00 C +ATOM 1233 HB THR 78 19.480 39.020 33.058 1.00 0.00 H +ATOM 1234 OG1 THR 78 19.870 38.740 31.020 1.00 0.00 O +ATOM 1235 HG1 THR 78 20.098 37.856 31.318 1.00 0.00 H +ATOM 1236 CG2 THR 78 17.700 38.470 31.970 1.00 0.00 C +ATOM 1237 1HG2 THR 78 17.860 37.372 31.900 1.00 0.00 H +ATOM 1238 2HG2 THR 78 17.038 38.840 32.782 1.00 0.00 H +ATOM 1239 3HG2 THR 78 17.188 38.790 31.038 1.00 0.00 H +ATOM 1240 C THR 78 18.490 41.400 30.730 1.00 0.00 C +ATOM 1241 O THR 78 17.480 42.110 30.660 1.00 0.00 O +ATOM 1242 N TYR 79 19.340 41.170 29.730 1.00 0.00 N +ATOM 1243 HN TYR 79 19.982 40.416 29.840 1.00 0.00 H +ATOM 1244 CA TYR 79 19.320 41.780 28.470 1.00 0.00 C +ATOM 1245 HA TYR 79 19.220 42.820 28.740 1.00 0.00 H +ATOM 1246 CB TYR 79 20.620 41.580 27.750 1.00 0.00 C +ATOM 1247 HB1 TYR 79 20.610 42.220 26.842 1.00 0.00 H +ATOM 1248 HB2 TYR 79 21.488 41.730 28.428 1.00 0.00 H +ATOM 1249 CG TYR 79 20.720 40.190 27.020 1.00 0.00 C +ATOM 1250 CD1 TYR 79 21.400 39.030 27.550 1.00 0.00 C +ATOM 1251 HD1 TYR 79 21.868 39.030 28.524 1.00 0.00 H +ATOM 1252 CE1 TYR 79 21.480 37.820 26.830 1.00 0.00 C +ATOM 1253 HE1 TYR 79 22.018 36.964 27.208 1.00 0.00 H +ATOM 1254 CZ TYR 79 20.990 37.800 25.490 1.00 0.00 C +ATOM 1255 OH TYR 79 21.040 36.590 24.750 1.00 0.00 O +ATOM 1256 HH TYR 79 21.030 35.892 25.408 1.00 0.00 H +ATOM 1257 CD2 TYR 79 20.100 39.980 25.790 1.00 0.00 C +ATOM 1258 HD2 TYR 79 19.548 40.792 25.340 1.00 0.00 H +ATOM 1259 CE2 TYR 79 20.240 38.810 25.030 1.00 0.00 C +ATOM 1260 HE2 TYR 79 19.750 38.660 24.080 1.00 0.00 H +ATOM 1261 C TYR 79 17.990 41.590 27.610 1.00 0.00 C +ATOM 1262 O TYR 79 17.450 42.420 26.910 1.00 0.00 O +ATOM 1263 N ILE 80 17.360 40.390 27.830 1.00 0.00 N +ATOM 1264 HN ILE 80 17.770 39.620 28.310 1.00 0.00 H +ATOM 1265 CA ILE 80 15.970 40.030 27.360 1.00 0.00 C +ATOM 1266 HA ILE 80 15.780 40.610 26.470 1.00 0.00 H +ATOM 1267 CB ILE 80 15.770 38.530 27.000 1.00 0.00 C +ATOM 1268 HB ILE 80 15.860 37.948 27.942 1.00 0.00 H +ATOM 1269 CG2 ILE 80 14.330 38.230 26.600 1.00 0.00 C +ATOM 1270 1HG2 ILE 80 14.062 38.946 25.794 1.00 0.00 H +ATOM 1271 2HG2 ILE 80 14.320 37.232 26.112 1.00 0.00 H +ATOM 1272 3HG2 ILE 80 13.592 38.370 27.418 1.00 0.00 H +ATOM 1273 CG1 ILE 80 16.760 38.030 25.970 1.00 0.00 C +ATOM 1274 1HG1 ILE 80 16.542 38.518 24.996 1.00 0.00 H +ATOM 1275 2HG1 ILE 80 17.746 38.382 26.342 1.00 0.00 H +ATOM 1276 CD ILE 80 16.840 36.550 25.700 1.00 0.00 C +ATOM 1277 HD1 ILE 80 17.682 36.330 25.008 1.00 0.00 H +ATOM 1278 HD2 ILE 80 16.970 36.020 26.668 1.00 0.00 H +ATOM 1279 HD3 ILE 80 15.882 36.200 25.260 1.00 0.00 H +ATOM 1280 C ILE 80 14.970 40.430 28.500 1.00 0.00 C +ATOM 1281 O ILE 80 15.080 39.980 29.630 1.00 0.00 O +ATOM 1282 N PRO 81 14.020 41.410 28.300 1.00 0.00 N +ATOM 1283 CD PRO 81 14.180 42.370 27.210 1.00 0.00 C +ATOM 1284 HD1 PRO 81 14.280 41.902 26.206 1.00 0.00 H +ATOM 1285 HD2 PRO 81 15.128 42.940 27.310 1.00 0.00 H +ATOM 1286 CA PRO 81 12.830 41.700 29.140 1.00 0.00 C +ATOM 1287 HA PRO 81 13.210 42.280 29.968 1.00 0.00 H +ATOM 1288 CB PRO 81 12.000 42.540 28.250 1.00 0.00 C +ATOM 1289 HB1 PRO 81 11.322 41.980 27.572 1.00 0.00 H +ATOM 1290 HB2 PRO 81 11.340 43.280 28.750 1.00 0.00 H +ATOM 1291 CG PRO 81 13.020 43.340 27.430 1.00 0.00 C +ATOM 1292 HG1 PRO 81 12.618 43.582 26.424 1.00 0.00 H +ATOM 1293 HG2 PRO 81 13.420 44.170 28.050 1.00 0.00 H +ATOM 1294 C PRO 81 12.140 40.520 29.630 1.00 0.00 C +ATOM 1295 O PRO 81 11.840 39.690 28.800 1.00 0.00 O +ATOM 1296 N PHE 82 11.990 40.390 30.910 1.00 0.00 N +ATOM 1297 HN PHE 82 12.362 41.114 31.484 1.00 0.00 H +ATOM 1298 CA PHE 82 11.130 39.500 31.630 1.00 0.00 C +ATOM 1299 HA PHE 82 10.980 39.888 32.626 1.00 0.00 H +ATOM 1300 CB PHE 82 9.790 39.370 30.980 1.00 0.00 C +ATOM 1301 HB1 PHE 82 9.940 38.990 29.948 1.00 0.00 H +ATOM 1302 HB2 PHE 82 8.974 38.862 31.538 1.00 0.00 H +ATOM 1303 CG PHE 82 9.120 40.700 30.750 1.00 0.00 C +ATOM 1304 CD1 PHE 82 8.810 41.530 31.870 1.00 0.00 C +ATOM 1305 HD1 PHE 82 9.000 41.140 32.860 1.00 0.00 H +ATOM 1306 CE1 PHE 82 8.140 42.780 31.520 1.00 0.00 C +ATOM 1307 HE1 PHE 82 8.120 43.544 32.284 1.00 0.00 H +ATOM 1308 CZ PHE 82 7.910 43.240 30.230 1.00 0.00 C +ATOM 1309 HZ PHE 82 7.640 44.280 30.120 1.00 0.00 H +ATOM 1310 CD2 PHE 82 8.780 41.110 29.460 1.00 0.00 C +ATOM 1311 HD2 PHE 82 9.042 40.426 28.666 1.00 0.00 H +ATOM 1312 CE2 PHE 82 8.110 42.330 29.200 1.00 0.00 C +ATOM 1313 HE2 PHE 82 7.830 42.550 28.180 1.00 0.00 H +ATOM 1314 C PHE 82 11.670 38.100 31.810 1.00 0.00 C +ATOM 1315 O PHE 82 11.170 37.290 32.570 1.00 0.00 O +ATOM 1316 N ALA 83 12.780 37.780 31.190 1.00 0.00 N +ATOM 1317 HN ALA 83 13.202 38.434 30.566 1.00 0.00 H +ATOM 1318 CA ALA 83 13.580 36.580 31.380 1.00 0.00 C +ATOM 1319 HA ALA 83 12.920 35.732 31.490 1.00 0.00 H +ATOM 1320 CB ALA 83 14.470 36.410 30.160 1.00 0.00 C +ATOM 1321 HB1 ALA 83 13.776 36.108 29.346 1.00 0.00 H +ATOM 1322 HB2 ALA 83 14.970 37.368 29.900 1.00 0.00 H +ATOM 1323 HB3 ALA 83 15.308 35.712 30.370 1.00 0.00 H +ATOM 1324 C ALA 83 14.290 36.580 32.660 1.00 0.00 C +ATOM 1325 O ALA 83 14.590 37.700 33.140 1.00 0.00 O +ATOM 1326 N LYS 84 14.540 35.440 33.280 1.00 0.00 N +ATOM 1327 HN LYS 84 14.140 34.600 32.920 1.00 0.00 H +ATOM 1328 CA LYS 84 15.180 35.420 34.660 1.00 0.00 C +ATOM 1329 HA LYS 84 14.516 35.974 35.304 1.00 0.00 H +ATOM 1330 CB LYS 84 15.120 33.940 35.190 1.00 0.00 C +ATOM 1331 HB1 LYS 84 15.850 33.310 34.640 1.00 0.00 H +ATOM 1332 HB2 LYS 84 15.488 34.000 36.236 1.00 0.00 H +ATOM 1333 CG LYS 84 13.710 33.300 35.120 1.00 0.00 C +ATOM 1334 HG1 LYS 84 13.370 33.200 34.068 1.00 0.00 H +ATOM 1335 HG2 LYS 84 13.820 32.344 35.678 1.00 0.00 H +ATOM 1336 CD LYS 84 12.610 34.110 35.820 1.00 0.00 C +ATOM 1337 HD1 LYS 84 12.900 34.500 36.820 1.00 0.00 H +ATOM 1338 HD2 LYS 84 12.620 35.040 35.210 1.00 0.00 H +ATOM 1339 CE LYS 84 11.240 33.440 35.950 1.00 0.00 C +ATOM 1340 HE1 LYS 84 10.466 34.122 36.362 1.00 0.00 H +ATOM 1341 HE2 LYS 84 10.820 32.980 35.030 1.00 0.00 H +ATOM 1342 NZ LYS 84 11.330 32.300 36.970 1.00 0.00 N +ATOM 1343 HZ1 LYS 84 10.380 32.130 37.360 1.00 0.00 H +ATOM 1344 HZ2 LYS 84 11.688 31.414 36.562 1.00 0.00 H +ATOM 1345 HZ3 LYS 84 11.972 32.620 37.722 1.00 0.00 H +ATOM 1346 C LYS 84 16.640 35.960 34.670 1.00 0.00 C +ATOM 1347 O LYS 84 17.380 35.770 33.700 1.00 0.00 O +ATOM 1348 N GLN 85 17.110 36.550 35.790 1.00 0.00 N +ATOM 1349 HN GLN 85 16.452 36.800 36.498 1.00 0.00 H +ATOM 1350 CA GLN 85 18.480 36.990 36.060 1.00 0.00 C +ATOM 1351 HA GLN 85 19.074 36.778 35.184 1.00 0.00 H +ATOM 1352 CB GLN 85 18.610 38.490 36.310 1.00 0.00 C +ATOM 1353 HB1 GLN 85 19.586 38.732 36.782 1.00 0.00 H +ATOM 1354 HB2 GLN 85 18.630 39.054 35.354 1.00 0.00 H +ATOM 1355 CG GLN 85 17.460 39.200 37.170 1.00 0.00 C +ATOM 1356 HG1 GLN 85 17.590 40.302 37.230 1.00 0.00 H +ATOM 1357 HG2 GLN 85 16.486 38.998 36.678 1.00 0.00 H +ATOM 1358 CD GLN 85 17.360 38.710 38.630 1.00 0.00 C +ATOM 1359 OE1 GLN 85 18.110 37.890 39.160 1.00 0.00 O +ATOM 1360 NE2 GLN 85 16.590 39.430 39.470 1.00 0.00 N +ATOM 1361 1HE2 GLN 85 15.684 39.712 39.158 1.00 0.00 H +ATOM 1362 2HE2 GLN 85 16.640 39.142 40.426 1.00 0.00 H +ATOM 1363 C GLN 85 19.250 36.150 37.050 1.00 0.00 C +ATOM 1364 O GLN 85 18.650 35.320 37.830 1.00 0.00 O +ATOM 1365 N ALA 86 20.610 36.350 37.030 1.00 0.00 N +ATOM 1366 HN ALA 86 20.958 37.136 36.524 1.00 0.00 H +ATOM 1367 CA ALA 86 21.510 35.500 37.820 1.00 0.00 C +ATOM 1368 HA ALA 86 21.400 34.462 37.540 1.00 0.00 H +ATOM 1369 CB ALA 86 23.050 35.900 37.620 1.00 0.00 C +ATOM 1370 HB1 ALA 86 23.708 35.072 37.960 1.00 0.00 H +ATOM 1371 HB2 ALA 86 23.230 36.130 36.548 1.00 0.00 H +ATOM 1372 HB3 ALA 86 23.240 36.840 38.180 1.00 0.00 H +ATOM 1373 C ALA 86 21.180 35.530 39.350 1.00 0.00 C +ATOM 1374 O ALA 86 21.240 34.520 40.010 1.00 0.00 O +ATOM 1375 N LYS 87 20.780 36.760 39.840 1.00 0.00 N +ATOM 1376 HN LYS 87 20.630 37.496 39.184 1.00 0.00 H +ATOM 1377 CA LYS 87 20.500 36.870 41.280 1.00 0.00 C +ATOM 1378 HA LYS 87 21.380 36.510 41.790 1.00 0.00 H +ATOM 1379 CB LYS 87 20.160 38.280 41.820 1.00 0.00 C +ATOM 1380 HB1 LYS 87 21.022 38.902 41.500 1.00 0.00 H +ATOM 1381 HB2 LYS 87 19.204 38.598 41.352 1.00 0.00 H +ATOM 1382 CG LYS 87 19.930 38.500 43.360 1.00 0.00 C +ATOM 1383 HG1 LYS 87 19.160 37.810 43.770 1.00 0.00 H +ATOM 1384 HG2 LYS 87 20.868 38.130 43.828 1.00 0.00 H +ATOM 1385 CD LYS 87 19.740 39.960 43.760 1.00 0.00 C +ATOM 1386 HD1 LYS 87 19.912 40.172 44.836 1.00 0.00 H +ATOM 1387 HD2 LYS 87 20.512 40.592 43.270 1.00 0.00 H +ATOM 1388 CE LYS 87 18.370 40.500 43.450 1.00 0.00 C +ATOM 1389 HE1 LYS 87 18.158 40.680 42.374 1.00 0.00 H +ATOM 1390 HE2 LYS 87 17.644 39.714 43.748 1.00 0.00 H +ATOM 1391 NZ LYS 87 18.080 41.750 44.210 1.00 0.00 N +ATOM 1392 HZ1 LYS 87 17.044 41.840 44.210 1.00 0.00 H +ATOM 1393 HZ2 LYS 87 18.350 41.760 45.214 1.00 0.00 H +ATOM 1394 HZ3 LYS 87 18.400 42.620 43.740 1.00 0.00 H +ATOM 1395 C LYS 87 19.360 36.020 41.810 1.00 0.00 C +ATOM 1396 O LYS 87 19.560 35.340 42.810 1.00 0.00 O +ATOM 1397 N GLU 88 18.220 35.890 41.080 1.00 0.00 N +ATOM 1398 HN GLU 88 18.070 36.468 40.282 1.00 0.00 H +ATOM 1399 CA GLU 88 17.170 34.970 41.410 1.00 0.00 C +ATOM 1400 HA GLU 88 17.150 35.060 42.486 1.00 0.00 H +ATOM 1401 CB GLU 88 15.820 35.460 40.660 1.00 0.00 C +ATOM 1402 HB1 GLU 88 14.970 34.780 40.880 1.00 0.00 H +ATOM 1403 HB2 GLU 88 15.530 36.460 41.050 1.00 0.00 H +ATOM 1404 CG GLU 88 15.770 35.460 39.100 1.00 0.00 C +ATOM 1405 HG1 GLU 88 16.650 36.000 38.690 1.00 0.00 H +ATOM 1406 HG2 GLU 88 15.760 34.402 38.760 1.00 0.00 H +ATOM 1407 CD GLU 88 14.600 36.180 38.490 1.00 0.00 C +ATOM 1408 OE1 GLU 88 13.440 35.960 38.900 1.00 0.00 O +ATOM 1409 OE2 GLU 88 14.820 36.970 37.530 1.00 0.00 O +ATOM 1410 C GLU 88 17.470 33.560 41.090 1.00 0.00 C +ATOM 1411 O GLU 88 17.110 32.650 41.840 1.00 0.00 O +ATOM 1412 N THR 89 18.190 33.280 40.010 1.00 0.00 N +ATOM 1413 HN THR 89 18.480 34.060 39.460 1.00 0.00 H +ATOM 1414 CA THR 89 18.450 32.000 39.540 1.00 0.00 C +ATOM 1415 HA THR 89 17.576 31.378 39.660 1.00 0.00 H +ATOM 1416 CB THR 89 18.920 31.970 38.140 1.00 0.00 C +ATOM 1417 HB THR 89 19.838 32.588 38.050 1.00 0.00 H +ATOM 1418 OG1 THR 89 18.010 32.610 37.250 1.00 0.00 O +ATOM 1419 HG1 THR 89 18.150 33.560 37.240 1.00 0.00 H +ATOM 1420 CG2 THR 89 19.110 30.490 37.660 1.00 0.00 C +ATOM 1421 1HG2 THR 89 20.014 30.062 38.146 1.00 0.00 H +ATOM 1422 2HG2 THR 89 18.182 29.970 37.980 1.00 0.00 H +ATOM 1423 3HG2 THR 89 19.220 30.410 36.558 1.00 0.00 H +ATOM 1424 C THR 89 19.490 31.360 40.410 1.00 0.00 C +ATOM 1425 O THR 89 19.390 30.180 40.820 1.00 0.00 O +ATOM 1426 N GLY 90 20.530 32.050 40.910 1.00 0.00 N +ATOM 1427 HN GLY 90 20.470 33.000 40.610 1.00 0.00 H +ATOM 1428 CA GLY 90 21.670 31.520 41.710 1.00 0.00 C +ATOM 1429 HA1 GLY 90 21.990 30.602 41.240 1.00 0.00 H +ATOM 1430 HA2 GLY 90 22.322 32.374 41.810 1.00 0.00 H +ATOM 1431 C GLY 90 21.330 31.290 43.100 1.00 0.00 C +ATOM 1432 O GLY 90 21.870 30.400 43.690 1.00 0.00 O +ATOM 1433 N ALA 91 20.390 32.110 43.610 1.00 0.00 N +ATOM 1434 HN ALA 91 19.960 32.820 43.060 1.00 0.00 H +ATOM 1435 CA ALA 91 19.830 31.970 44.920 1.00 0.00 C +ATOM 1436 HA ALA 91 20.672 31.900 45.592 1.00 0.00 H +ATOM 1437 CB ALA 91 19.190 33.260 45.210 1.00 0.00 C +ATOM 1438 HB1 ALA 91 18.902 33.190 46.282 1.00 0.00 H +ATOM 1439 HB2 ALA 91 19.952 34.062 45.130 1.00 0.00 H +ATOM 1440 HB3 ALA 91 18.430 33.590 44.470 1.00 0.00 H +ATOM 1441 C ALA 91 18.860 30.790 44.980 1.00 0.00 C +ATOM 1442 O ALA 91 18.690 30.230 46.030 1.00 0.00 O +ATOM 1443 N LYS 92 18.250 30.440 43.800 1.00 0.00 N +ATOM 1444 HN LYS 92 18.330 30.920 42.930 1.00 0.00 H +ATOM 1445 CA LYS 92 17.430 29.240 43.810 1.00 0.00 C +ATOM 1446 HA LYS 92 16.762 29.310 44.656 1.00 0.00 H +ATOM 1447 CB LYS 92 16.630 29.110 42.470 1.00 0.00 C +ATOM 1448 HB1 LYS 92 15.830 29.880 42.460 1.00 0.00 H +ATOM 1449 HB2 LYS 92 17.328 29.420 41.662 1.00 0.00 H +ATOM 1450 CG LYS 92 16.080 27.780 42.020 1.00 0.00 C +ATOM 1451 HG1 LYS 92 16.840 27.030 41.710 1.00 0.00 H +ATOM 1452 HG2 LYS 92 15.510 27.280 42.830 1.00 0.00 H +ATOM 1453 CD LYS 92 15.180 27.930 40.810 1.00 0.00 C +ATOM 1454 HD1 LYS 92 14.390 28.660 41.090 1.00 0.00 H +ATOM 1455 HD2 LYS 92 15.820 28.510 40.110 1.00 0.00 H +ATOM 1456 CE LYS 92 14.800 26.560 40.170 1.00 0.00 C +ATOM 1457 HE1 LYS 92 15.656 25.906 39.898 1.00 0.00 H +ATOM 1458 HE2 LYS 92 14.192 25.982 40.898 1.00 0.00 H +ATOM 1459 NZ LYS 92 13.990 26.850 38.940 1.00 0.00 N +ATOM 1460 HZ1 LYS 92 13.512 26.016 38.542 1.00 0.00 H +ATOM 1461 HZ2 LYS 92 13.318 27.612 39.160 1.00 0.00 H +ATOM 1462 HZ3 LYS 92 14.588 27.238 38.182 1.00 0.00 H +ATOM 1463 C LYS 92 18.210 27.930 44.030 1.00 0.00 C +ATOM 1464 O LYS 92 17.820 27.000 44.690 1.00 0.00 O +ATOM 1465 N TYR 93 19.340 27.810 43.360 1.00 0.00 N +ATOM 1466 HN TYR 93 19.702 28.542 42.788 1.00 0.00 H +ATOM 1467 CA TYR 93 20.330 26.750 43.500 1.00 0.00 C +ATOM 1468 HA TYR 93 19.840 25.788 43.510 1.00 0.00 H +ATOM 1469 CB TYR 93 21.290 26.820 42.310 1.00 0.00 C +ATOM 1470 HB1 TYR 93 21.762 27.824 42.240 1.00 0.00 H +ATOM 1471 HB2 TYR 93 22.124 26.086 42.330 1.00 0.00 H +ATOM 1472 CG TYR 93 20.540 26.530 40.990 1.00 0.00 C +ATOM 1473 CD1 TYR 93 19.700 25.400 40.940 1.00 0.00 C +ATOM 1474 HD1 TYR 93 19.600 24.724 41.776 1.00 0.00 H +ATOM 1475 CE1 TYR 93 18.760 25.200 39.840 1.00 0.00 C +ATOM 1476 HE1 TYR 93 18.088 24.358 39.910 1.00 0.00 H +ATOM 1477 CZ TYR 93 18.760 26.080 38.800 1.00 0.00 C +ATOM 1478 OH TYR 93 17.700 25.980 37.850 1.00 0.00 O +ATOM 1479 HH TYR 93 17.790 26.740 37.270 1.00 0.00 H +ATOM 1480 CD2 TYR 93 20.540 27.370 39.880 1.00 0.00 C +ATOM 1481 HD2 TYR 93 21.180 28.238 39.820 1.00 0.00 H +ATOM 1482 CE2 TYR 93 19.640 27.170 38.750 1.00 0.00 C +ATOM 1483 HE2 TYR 93 19.690 27.848 37.912 1.00 0.00 H +ATOM 1484 C TYR 93 21.060 26.740 44.810 1.00 0.00 C +ATOM 1485 O TYR 93 21.440 25.700 45.360 1.00 0.00 O +ATOM 1486 N PHE 94 21.250 27.910 45.470 1.00 0.00 N +ATOM 1487 HN PHE 94 20.958 28.784 45.088 1.00 0.00 H +ATOM 1488 CA PHE 94 21.910 27.960 46.750 1.00 0.00 C +ATOM 1489 HA PHE 94 22.904 27.538 46.770 1.00 0.00 H +ATOM 1490 CB PHE 94 22.050 29.420 47.100 1.00 0.00 C +ATOM 1491 HB1 PHE 94 22.468 30.058 46.292 1.00 0.00 H +ATOM 1492 HB2 PHE 94 21.072 29.920 47.270 1.00 0.00 H +ATOM 1493 CG PHE 94 22.880 29.750 48.340 1.00 0.00 C +ATOM 1494 CD1 PHE 94 22.170 29.950 49.480 1.00 0.00 C +ATOM 1495 HD1 PHE 94 21.096 29.990 49.590 1.00 0.00 H +ATOM 1496 CE1 PHE 94 22.940 30.290 50.640 1.00 0.00 C +ATOM 1497 HE1 PHE 94 22.408 30.400 51.574 1.00 0.00 H +ATOM 1498 CZ PHE 94 24.310 30.410 50.580 1.00 0.00 C +ATOM 1499 HZ PHE 94 24.882 30.712 51.444 1.00 0.00 H +ATOM 1500 CD2 PHE 94 24.250 29.870 48.270 1.00 0.00 C +ATOM 1501 HD2 PHE 94 24.768 29.730 47.332 1.00 0.00 H +ATOM 1502 CE2 PHE 94 24.970 30.250 49.370 1.00 0.00 C +ATOM 1503 HE2 PHE 94 26.046 30.320 49.420 1.00 0.00 H +ATOM 1504 C PHE 94 20.980 27.280 47.770 1.00 0.00 C +ATOM 1505 O PHE 94 21.440 26.560 48.660 1.00 0.00 O +ATOM 1506 N LYS 95 19.640 27.620 47.660 1.00 0.00 N +ATOM 1507 HN LYS 95 19.368 28.294 46.976 1.00 0.00 H +ATOM 1508 CA LYS 95 18.610 27.050 48.530 1.00 0.00 C +ATOM 1509 HA LYS 95 18.760 27.070 49.600 1.00 0.00 H +ATOM 1510 CB LYS 95 17.460 27.990 48.250 1.00 0.00 C +ATOM 1511 HB1 LYS 95 17.248 28.070 47.162 1.00 0.00 H +ATOM 1512 HB2 LYS 95 16.514 27.638 48.712 1.00 0.00 H +ATOM 1513 CG LYS 95 17.610 29.460 48.800 1.00 0.00 C +ATOM 1514 HG1 LYS 95 17.772 29.500 49.898 1.00 0.00 H +ATOM 1515 HG2 LYS 95 18.604 29.832 48.468 1.00 0.00 H +ATOM 1516 CD LYS 95 16.410 30.370 48.380 1.00 0.00 C +ATOM 1517 HD1 LYS 95 16.430 30.290 47.272 1.00 0.00 H +ATOM 1518 HD2 LYS 95 15.494 29.962 48.858 1.00 0.00 H +ATOM 1519 CE LYS 95 16.620 31.810 48.780 1.00 0.00 C +ATOM 1520 HE1 LYS 95 17.572 32.100 48.288 1.00 0.00 H +ATOM 1521 HE2 LYS 95 15.804 32.468 48.412 1.00 0.00 H +ATOM 1522 NZ LYS 95 16.710 31.880 50.270 1.00 0.00 N +ATOM 1523 HZ1 LYS 95 16.420 32.828 50.590 1.00 0.00 H +ATOM 1524 HZ2 LYS 95 16.158 31.248 50.882 1.00 0.00 H +ATOM 1525 HZ3 LYS 95 17.714 31.760 50.512 1.00 0.00 H +ATOM 1526 C LYS 95 18.320 25.540 48.210 1.00 0.00 C +ATOM 1527 O LYS 95 18.310 24.740 49.080 1.00 0.00 O +ATOM 1528 N LEU 96 18.240 25.150 46.960 1.00 0.00 N +ATOM 1529 HN LEU 96 18.460 25.828 46.262 1.00 0.00 H +ATOM 1530 CA LEU 96 18.130 23.750 46.640 1.00 0.00 C +ATOM 1531 HA LEU 96 17.210 23.360 47.050 1.00 0.00 H +ATOM 1532 CB LEU 96 18.120 23.610 45.160 1.00 0.00 C +ATOM 1533 HB1 LEU 96 18.942 24.252 44.778 1.00 0.00 H +ATOM 1534 HB2 LEU 96 18.210 22.542 44.870 1.00 0.00 H +ATOM 1535 CG LEU 96 16.810 23.930 44.440 1.00 0.00 C +ATOM 1536 HG LEU 96 16.382 24.848 44.898 1.00 0.00 H +ATOM 1537 CD1 LEU 96 17.120 24.160 42.980 1.00 0.00 C +ATOM 1538 1HD1 LEU 96 17.618 23.274 42.532 1.00 0.00 H +ATOM 1539 2HD1 LEU 96 16.148 24.250 42.450 1.00 0.00 H +ATOM 1540 3HD1 LEU 96 17.768 25.058 42.890 1.00 0.00 H +ATOM 1541 CD2 LEU 96 15.720 22.800 44.540 1.00 0.00 C +ATOM 1542 1HD2 LEU 96 16.170 21.808 44.320 1.00 0.00 H +ATOM 1543 2HD2 LEU 96 15.502 22.602 45.612 1.00 0.00 H +ATOM 1544 3HD2 LEU 96 14.728 23.070 44.120 1.00 0.00 H +ATOM 1545 C LEU 96 19.310 22.930 47.130 1.00 0.00 C +ATOM 1546 O LEU 96 19.100 21.860 47.680 1.00 0.00 O +ATOM 1547 N ALA 97 20.560 23.440 46.980 1.00 0.00 N +ATOM 1548 HN ALA 97 20.650 24.368 46.628 1.00 0.00 H +ATOM 1549 CA ALA 97 21.780 22.750 47.450 1.00 0.00 C +ATOM 1550 HA ALA 97 21.900 21.790 46.970 1.00 0.00 H +ATOM 1551 CB ALA 97 22.990 23.580 47.020 1.00 0.00 C +ATOM 1552 HB1 ALA 97 23.934 23.218 47.482 1.00 0.00 H +ATOM 1553 HB2 ALA 97 23.160 23.520 45.924 1.00 0.00 H +ATOM 1554 HB3 ALA 97 22.840 24.604 47.428 1.00 0.00 H +ATOM 1555 C ALA 97 21.770 22.630 48.970 1.00 0.00 C +ATOM 1556 O ALA 97 22.070 21.580 49.530 1.00 0.00 O +ATOM 1557 N GLY 98 21.440 23.680 49.770 1.00 0.00 N +ATOM 1558 HN GLY 98 21.230 24.586 49.412 1.00 0.00 H +ATOM 1559 CA GLY 98 21.150 23.630 51.230 1.00 0.00 C +ATOM 1560 HA1 GLY 98 22.012 23.320 51.802 1.00 0.00 H +ATOM 1561 HA2 GLY 98 20.850 24.618 51.550 1.00 0.00 H +ATOM 1562 C GLY 98 20.090 22.750 51.660 1.00 0.00 C +ATOM 1563 O GLY 98 20.250 22.130 52.710 1.00 0.00 O +ATOM 1564 N GLU 99 18.960 22.690 50.970 1.00 0.00 N +ATOM 1565 HN GLU 99 18.790 23.410 50.300 1.00 0.00 H +ATOM 1566 CA GLU 99 17.980 21.710 51.160 1.00 0.00 C +ATOM 1567 HA GLU 99 17.662 21.760 52.192 1.00 0.00 H +ATOM 1568 CB GLU 99 16.760 21.980 50.230 1.00 0.00 C +ATOM 1569 HB1 GLU 99 17.198 22.208 49.234 1.00 0.00 H +ATOM 1570 HB2 GLU 99 16.122 21.072 50.200 1.00 0.00 H +ATOM 1571 CG GLU 99 15.880 23.110 50.680 1.00 0.00 C +ATOM 1572 HG1 GLU 99 15.140 22.760 51.430 1.00 0.00 H +ATOM 1573 HG2 GLU 99 16.462 23.952 51.112 1.00 0.00 H +ATOM 1574 CD GLU 99 15.040 23.670 49.540 1.00 0.00 C +ATOM 1575 OE1 GLU 99 15.050 23.040 48.450 1.00 0.00 O +ATOM 1576 OE2 GLU 99 14.320 24.700 49.860 1.00 0.00 O +ATOM 1577 C GLU 99 18.360 20.280 50.990 1.00 0.00 C +ATOM 1578 O GLU 99 18.080 19.450 51.890 1.00 0.00 O +ATOM 1579 N SER 100 19.030 19.960 49.830 1.00 0.00 N +ATOM 1580 HN SER 100 19.010 20.518 49.004 1.00 0.00 H +ATOM 1581 CA SER 100 19.600 18.640 49.650 1.00 0.00 C +ATOM 1582 HA SER 100 18.780 17.960 49.830 1.00 0.00 H +ATOM 1583 CB SER 100 20.130 18.510 48.250 1.00 0.00 C +ATOM 1584 HB1 SER 100 20.742 19.384 47.938 1.00 0.00 H +ATOM 1585 HB2 SER 100 20.820 17.640 48.190 1.00 0.00 H +ATOM 1586 OG SER 100 19.080 18.310 47.300 1.00 0.00 O +ATOM 1587 HG1 SER 100 18.690 17.438 47.390 1.00 0.00 H +ATOM 1588 C SER 100 20.670 18.230 50.620 1.00 0.00 C +ATOM 1589 O SER 100 20.650 17.100 51.130 1.00 0.00 O +ATOM 1590 N TYR 101 21.560 19.190 51.100 1.00 0.00 N +ATOM 1591 HN TYR 101 21.420 20.136 50.818 1.00 0.00 H +ATOM 1592 CA TYR 101 22.580 18.960 52.140 1.00 0.00 C +ATOM 1593 HA TYR 101 23.092 18.038 51.910 1.00 0.00 H +ATOM 1594 CB TYR 101 23.470 20.210 52.210 1.00 0.00 C +ATOM 1595 HB1 TYR 101 23.790 20.380 51.160 1.00 0.00 H +ATOM 1596 HB2 TYR 101 22.878 21.122 52.440 1.00 0.00 H +ATOM 1597 CG TYR 101 24.700 19.900 53.030 1.00 0.00 C +ATOM 1598 CD1 TYR 101 25.910 19.300 52.500 1.00 0.00 C +ATOM 1599 HD1 TYR 101 25.870 19.000 51.462 1.00 0.00 H +ATOM 1600 CE1 TYR 101 27.120 19.190 53.260 1.00 0.00 C +ATOM 1601 HE1 TYR 101 28.030 18.790 52.840 1.00 0.00 H +ATOM 1602 CZ TYR 101 27.110 19.690 54.550 1.00 0.00 C +ATOM 1603 OH TYR 101 28.290 19.440 55.290 1.00 0.00 O +ATOM 1604 HH TYR 101 28.130 19.752 56.184 1.00 0.00 H +ATOM 1605 CD2 TYR 101 24.840 20.430 54.360 1.00 0.00 C +ATOM 1606 HD2 TYR 101 23.972 20.798 54.888 1.00 0.00 H +ATOM 1607 CE2 TYR 101 26.010 20.420 55.070 1.00 0.00 C +ATOM 1608 HE2 TYR 101 26.040 20.740 56.100 1.00 0.00 H +ATOM 1609 C TYR 101 21.980 18.540 53.480 1.00 0.00 C +ATOM 1610 O TYR 101 22.420 17.610 54.240 1.00 0.00 O +ATOM 1611 N LYS 102 20.860 19.210 53.860 1.00 0.00 N +ATOM 1612 HN LYS 102 20.520 19.952 53.288 1.00 0.00 H +ATOM 1613 CA LYS 102 20.160 18.900 55.060 1.00 0.00 C +ATOM 1614 HA LYS 102 20.872 19.010 55.864 1.00 0.00 H +ATOM 1615 CB LYS 102 18.970 19.900 55.240 1.00 0.00 C +ATOM 1616 HB1 LYS 102 18.248 19.890 54.396 1.00 0.00 H +ATOM 1617 HB2 LYS 102 18.398 19.438 56.072 1.00 0.00 H +ATOM 1618 CG LYS 102 19.370 21.270 55.840 1.00 0.00 C +ATOM 1619 HG1 LYS 102 19.762 21.160 56.874 1.00 0.00 H +ATOM 1620 HG2 LYS 102 20.100 21.810 55.200 1.00 0.00 H +ATOM 1621 CD LYS 102 18.160 22.250 55.890 1.00 0.00 C +ATOM 1622 HD1 LYS 102 17.890 22.520 54.848 1.00 0.00 H +ATOM 1623 HD2 LYS 102 17.280 21.690 56.270 1.00 0.00 H +ATOM 1624 CE LYS 102 18.450 23.570 56.670 1.00 0.00 C +ATOM 1625 HE1 LYS 102 18.830 23.390 57.698 1.00 0.00 H +ATOM 1626 HE2 LYS 102 19.232 24.122 56.108 1.00 0.00 H +ATOM 1627 NZ LYS 102 17.200 24.280 56.960 1.00 0.00 N +ATOM 1628 HZ1 LYS 102 16.770 24.570 56.058 1.00 0.00 H +ATOM 1629 HZ2 LYS 102 16.458 23.718 57.422 1.00 0.00 H +ATOM 1630 HZ3 LYS 102 17.410 25.118 57.538 1.00 0.00 H +ATOM 1631 C LYS 102 19.650 17.380 55.070 1.00 0.00 C +ATOM 1632 O LYS 102 19.670 16.770 56.120 1.00 0.00 O +ATOM 1633 N ASN 103 19.200 16.860 53.880 1.00 0.00 N +ATOM 1634 HN ASN 103 19.220 17.404 53.044 1.00 0.00 H +ATOM 1635 CA ASN 103 18.600 15.510 53.730 1.00 0.00 C +ATOM 1636 HA ASN 103 18.150 15.200 54.662 1.00 0.00 H +ATOM 1637 CB ASN 103 17.520 15.470 52.640 1.00 0.00 C +ATOM 1638 HB1 ASN 103 17.940 15.750 51.650 1.00 0.00 H +ATOM 1639 HB2 ASN 103 17.118 14.436 52.580 1.00 0.00 H +ATOM 1640 CG ASN 103 16.330 16.360 52.950 1.00 0.00 C +ATOM 1641 OD1 ASN 103 16.180 17.130 53.940 1.00 0.00 O +ATOM 1642 ND2 ASN 103 15.320 16.340 51.990 1.00 0.00 N +ATOM 1643 1HD2 ASN 103 15.260 15.440 51.560 1.00 0.00 H +ATOM 1644 2HD2 ASN 103 14.610 17.040 51.910 1.00 0.00 H +ATOM 1645 C ASN 103 19.580 14.420 53.560 1.00 0.00 C +ATOM 1646 O ASN 103 19.270 13.320 53.120 1.00 0.00 O +ATOM 1647 N LYS 104 20.950 14.720 53.750 1.00 0.00 N +ATOM 1648 HN LYS 104 21.070 15.692 53.930 1.00 0.00 H +ATOM 1649 CA LYS 104 22.040 13.880 53.570 1.00 0.00 C +ATOM 1650 HA LYS 104 22.862 14.522 53.850 1.00 0.00 H +ATOM 1651 CB LYS 104 21.960 12.670 54.620 1.00 0.00 C +ATOM 1652 HB1 LYS 104 20.978 12.170 54.480 1.00 0.00 H +ATOM 1653 HB2 LYS 104 22.792 12.018 54.280 1.00 0.00 H +ATOM 1654 CG LYS 104 22.230 13.080 56.110 1.00 0.00 C +ATOM 1655 HG1 LYS 104 22.050 12.138 56.670 1.00 0.00 H +ATOM 1656 HG2 LYS 104 23.298 13.390 56.090 1.00 0.00 H +ATOM 1657 CD LYS 104 21.400 14.260 56.680 1.00 0.00 C +ATOM 1658 HD1 LYS 104 21.790 15.188 56.210 1.00 0.00 H +ATOM 1659 HD2 LYS 104 20.386 14.080 56.262 1.00 0.00 H +ATOM 1660 CE LYS 104 21.350 14.300 58.190 1.00 0.00 C +ATOM 1661 HE1 LYS 104 20.918 13.408 58.692 1.00 0.00 H +ATOM 1662 HE2 LYS 104 22.364 14.430 58.622 1.00 0.00 H +ATOM 1663 NZ LYS 104 20.410 15.420 58.620 1.00 0.00 N +ATOM 1664 HZ1 LYS 104 20.540 16.328 58.130 1.00 0.00 H +ATOM 1665 HZ2 LYS 104 19.432 15.068 58.630 1.00 0.00 H +ATOM 1666 HZ3 LYS 104 20.620 15.640 59.614 1.00 0.00 H +ATOM 1667 C LYS 104 22.210 13.490 52.140 1.00 0.00 C +ATOM 1668 O LYS 104 22.810 12.480 51.820 1.00 0.00 O +ATOM 1669 N ASP 105 21.840 14.370 51.140 1.00 0.00 N +ATOM 1670 HN ASP 105 21.502 15.276 51.380 1.00 0.00 H +ATOM 1671 CA ASP 105 21.930 14.110 49.760 1.00 0.00 C +ATOM 1672 HA ASP 105 22.300 13.112 49.570 1.00 0.00 H +ATOM 1673 CB ASP 105 20.560 14.220 49.040 1.00 0.00 C +ATOM 1674 HB1 ASP 105 19.862 13.474 49.478 1.00 0.00 H +ATOM 1675 HB2 ASP 105 20.220 15.274 49.130 1.00 0.00 H +ATOM 1676 CG ASP 105 20.530 13.980 47.550 1.00 0.00 C +ATOM 1677 OD1 ASP 105 21.510 13.650 46.870 1.00 0.00 O +ATOM 1678 OD2 ASP 105 19.350 14.010 47.060 1.00 0.00 O +ATOM 1679 C ASP 105 23.030 14.930 49.190 1.00 0.00 C +ATOM 1680 O ASP 105 22.890 16.050 48.690 1.00 0.00 O +ATOM 1681 N MET 106 24.230 14.500 49.480 1.00 0.00 N +ATOM 1682 HN MET 106 24.470 13.660 49.960 1.00 0.00 H +ATOM 1683 CA MET 106 25.430 15.200 49.000 1.00 0.00 C +ATOM 1684 HA MET 106 25.430 16.190 49.430 1.00 0.00 H +ATOM 1685 CB MET 106 26.720 14.480 49.470 1.00 0.00 C +ATOM 1686 HB1 MET 106 26.750 13.408 49.180 1.00 0.00 H +ATOM 1687 HB2 MET 106 27.644 14.932 49.048 1.00 0.00 H +ATOM 1688 CG MET 106 26.770 14.400 51.040 1.00 0.00 C +ATOM 1689 HG1 MET 106 25.868 13.830 51.350 1.00 0.00 H +ATOM 1690 HG2 MET 106 27.674 13.798 51.270 1.00 0.00 H +ATOM 1691 SD MET 106 26.690 16.030 51.740 1.00 0.00 S +ATOM 1692 CE MET 106 25.190 15.820 52.770 1.00 0.00 C +ATOM 1693 HE1 MET 106 24.858 16.716 53.334 1.00 0.00 H +ATOM 1694 HE2 MET 106 24.306 15.572 52.144 1.00 0.00 H +ATOM 1695 HE3 MET 106 25.360 15.064 53.566 1.00 0.00 H +ATOM 1696 C MET 106 25.560 15.430 47.480 1.00 0.00 C +ATOM 1697 O MET 106 25.750 16.580 47.080 1.00 0.00 O +ATOM 1698 N LYS 107 25.270 14.370 46.650 1.00 0.00 N +ATOM 1699 HN LYS 107 25.120 13.430 46.950 1.00 0.00 H +ATOM 1700 CA LYS 107 25.290 14.430 45.180 1.00 0.00 C +ATOM 1701 HA LYS 107 26.328 14.640 44.970 1.00 0.00 H +ATOM 1702 CB LYS 107 24.900 13.020 44.590 1.00 0.00 C +ATOM 1703 HB1 LYS 107 23.940 12.640 45.000 1.00 0.00 H +ATOM 1704 HB2 LYS 107 24.840 13.200 43.496 1.00 0.00 H +ATOM 1705 CG LYS 107 26.040 11.990 44.650 1.00 0.00 C +ATOM 1706 HG1 LYS 107 26.962 12.370 44.160 1.00 0.00 H +ATOM 1707 HG2 LYS 107 26.278 11.960 45.736 1.00 0.00 H +ATOM 1708 CD LYS 107 25.700 10.580 44.040 1.00 0.00 C +ATOM 1709 HD1 LYS 107 25.092 10.012 44.778 1.00 0.00 H +ATOM 1710 HD2 LYS 107 25.308 10.690 43.006 1.00 0.00 H +ATOM 1711 CE LYS 107 26.920 9.680 43.850 1.00 0.00 C +ATOM 1712 HE1 LYS 107 27.598 9.740 44.728 1.00 0.00 H +ATOM 1713 HE2 LYS 107 26.610 8.622 43.710 1.00 0.00 H +ATOM 1714 NZ LYS 107 27.720 10.060 42.630 1.00 0.00 N +ATOM 1715 HZ1 LYS 107 28.616 9.536 42.680 1.00 0.00 H +ATOM 1716 HZ2 LYS 107 27.222 9.960 41.722 1.00 0.00 H +ATOM 1717 HZ3 LYS 107 28.020 11.052 42.700 1.00 0.00 H +ATOM 1718 C LYS 107 24.580 15.650 44.560 1.00 0.00 C +ATOM 1719 O LYS 107 25.160 16.350 43.740 1.00 0.00 O +ATOM 1720 N GLN 108 23.280 15.810 44.950 1.00 0.00 N +ATOM 1721 HN GLN 108 22.814 15.134 45.516 1.00 0.00 H +ATOM 1722 CA GLN 108 22.400 16.880 44.640 1.00 0.00 C +ATOM 1723 HA GLN 108 22.450 16.930 43.562 1.00 0.00 H +ATOM 1724 CB GLN 108 20.960 16.560 45.110 1.00 0.00 C +ATOM 1725 HB1 GLN 108 20.900 15.450 45.110 1.00 0.00 H +ATOM 1726 HB2 GLN 108 20.900 16.740 46.204 1.00 0.00 H +ATOM 1727 CG GLN 108 19.770 16.980 44.190 1.00 0.00 C +ATOM 1728 HG1 GLN 108 18.832 16.490 44.530 1.00 0.00 H +ATOM 1729 HG2 GLN 108 19.630 18.082 44.230 1.00 0.00 H +ATOM 1730 CD GLN 108 20.000 16.530 42.800 1.00 0.00 C +ATOM 1731 OE1 GLN 108 19.760 17.250 41.870 1.00 0.00 O +ATOM 1732 NE2 GLN 108 20.290 15.210 42.670 1.00 0.00 N +ATOM 1733 1HE2 GLN 108 19.958 14.618 43.404 1.00 0.00 H +ATOM 1734 2HE2 GLN 108 20.610 14.830 41.802 1.00 0.00 H +ATOM 1735 C GLN 108 22.940 18.140 45.260 1.00 0.00 C +ATOM 1736 O GLN 108 22.990 19.220 44.620 1.00 0.00 O +ATOM 1737 N ALA 109 23.330 18.100 46.500 1.00 0.00 N +ATOM 1738 HN ALA 109 23.230 17.294 47.078 1.00 0.00 H +ATOM 1739 CA ALA 109 23.850 19.340 47.150 1.00 0.00 C +ATOM 1740 HA ALA 109 22.972 19.968 47.110 1.00 0.00 H +ATOM 1741 CB ALA 109 24.150 19.060 48.600 1.00 0.00 C +ATOM 1742 HB1 ALA 109 23.224 18.612 49.018 1.00 0.00 H +ATOM 1743 HB2 ALA 109 25.114 18.524 48.730 1.00 0.00 H +ATOM 1744 HB3 ALA 109 24.310 20.052 49.072 1.00 0.00 H +ATOM 1745 C ALA 109 25.050 20.060 46.470 1.00 0.00 C +ATOM 1746 O ALA 109 25.000 21.240 46.080 1.00 0.00 O +ATOM 1747 N PHE 110 26.190 19.400 46.270 1.00 0.00 N +ATOM 1748 HN PHE 110 26.200 18.434 46.512 1.00 0.00 H +ATOM 1749 CA PHE 110 27.390 19.860 45.580 1.00 0.00 C +ATOM 1750 HA PHE 110 27.620 20.814 46.032 1.00 0.00 H +ATOM 1751 CB PHE 110 28.670 19.050 45.860 1.00 0.00 C +ATOM 1752 HB1 PHE 110 28.390 18.002 45.620 1.00 0.00 H +ATOM 1753 HB2 PHE 110 29.596 19.372 45.338 1.00 0.00 H +ATOM 1754 CG PHE 110 28.950 19.210 47.350 1.00 0.00 C +ATOM 1755 CD1 PHE 110 29.530 20.390 47.870 1.00 0.00 C +ATOM 1756 HD1 PHE 110 29.972 20.972 47.076 1.00 0.00 H +ATOM 1757 CE1 PHE 110 29.780 20.600 49.190 1.00 0.00 C +ATOM 1758 HE1 PHE 110 30.212 21.524 49.542 1.00 0.00 H +ATOM 1759 CZ PHE 110 29.380 19.640 50.190 1.00 0.00 C +ATOM 1760 HZ PHE 110 29.640 19.870 51.212 1.00 0.00 H +ATOM 1761 CD2 PHE 110 28.570 18.290 48.370 1.00 0.00 C +ATOM 1762 HD2 PHE 110 28.098 17.388 48.010 1.00 0.00 H +ATOM 1763 CE2 PHE 110 28.720 18.520 49.790 1.00 0.00 C +ATOM 1764 HE2 PHE 110 28.552 17.766 50.544 1.00 0.00 H +ATOM 1765 C PHE 110 27.250 20.180 44.060 1.00 0.00 C +ATOM 1766 O PHE 110 27.880 21.110 43.590 1.00 0.00 O +ATOM 1767 N PHE 111 26.370 19.440 43.330 1.00 0.00 N +ATOM 1768 HN PHE 111 25.952 18.642 43.758 1.00 0.00 H +ATOM 1769 CA PHE 111 25.930 19.770 41.920 1.00 0.00 C +ATOM 1770 HA PHE 111 26.738 19.930 41.222 1.00 0.00 H +ATOM 1771 CB PHE 111 25.140 18.620 41.380 1.00 0.00 C +ATOM 1772 HB1 PHE 111 25.808 17.732 41.370 1.00 0.00 H +ATOM 1773 HB2 PHE 111 24.298 18.300 42.030 1.00 0.00 H +ATOM 1774 CG PHE 111 24.530 18.890 39.990 1.00 0.00 C +ATOM 1775 CD1 PHE 111 25.350 18.820 38.850 1.00 0.00 C +ATOM 1776 HD1 PHE 111 26.378 18.510 38.970 1.00 0.00 H +ATOM 1777 CE1 PHE 111 24.820 19.190 37.630 1.00 0.00 C +ATOM 1778 HE1 PHE 111 25.516 19.320 36.814 1.00 0.00 H +ATOM 1779 CZ PHE 111 23.510 19.630 37.480 1.00 0.00 C +ATOM 1780 HZ PHE 111 23.018 19.860 36.546 1.00 0.00 H +ATOM 1781 CD2 PHE 111 23.230 19.390 39.860 1.00 0.00 C +ATOM 1782 HD2 PHE 111 22.580 19.580 40.700 1.00 0.00 H +ATOM 1783 CE2 PHE 111 22.700 19.660 38.640 1.00 0.00 C +ATOM 1784 HE2 PHE 111 21.672 19.990 38.690 1.00 0.00 H +ATOM 1785 C PHE 111 25.200 21.070 41.890 1.00 0.00 C +ATOM 1786 O PHE 111 25.600 21.970 41.180 1.00 0.00 O +ATOM 1787 N TYR 112 24.200 21.300 42.800 1.00 0.00 N +ATOM 1788 HN TYR 112 24.012 20.564 43.446 1.00 0.00 H +ATOM 1789 CA TYR 112 23.450 22.530 42.750 1.00 0.00 C +ATOM 1790 HA TYR 112 23.200 22.720 41.718 1.00 0.00 H +ATOM 1791 CB TYR 112 22.140 22.360 43.610 1.00 0.00 C +ATOM 1792 HB1 TYR 112 22.538 21.732 44.436 1.00 0.00 H +ATOM 1793 HB2 TYR 112 21.800 23.292 44.110 1.00 0.00 H +ATOM 1794 CG TYR 112 21.060 21.650 42.740 1.00 0.00 C +ATOM 1795 CD1 TYR 112 20.790 22.210 41.480 1.00 0.00 C +ATOM 1796 HD1 TYR 112 21.372 23.032 41.090 1.00 0.00 H +ATOM 1797 CE1 TYR 112 19.610 21.790 40.780 1.00 0.00 C +ATOM 1798 HE1 TYR 112 19.402 22.068 39.756 1.00 0.00 H +ATOM 1799 CZ TYR 112 18.780 20.800 41.220 1.00 0.00 C +ATOM 1800 OH TYR 112 17.570 20.500 40.500 1.00 0.00 O +ATOM 1801 HH TYR 112 17.800 20.928 39.672 1.00 0.00 H +ATOM 1802 CD2 TYR 112 20.240 20.600 43.230 1.00 0.00 C +ATOM 1803 HD2 TYR 112 20.420 20.168 44.204 1.00 0.00 H +ATOM 1804 CE2 TYR 112 19.030 20.250 42.490 1.00 0.00 C +ATOM 1805 HE2 TYR 112 18.298 19.508 42.770 1.00 0.00 H +ATOM 1806 C TYR 112 24.280 23.690 43.350 1.00 0.00 C +ATOM 1807 O TYR 112 23.990 24.860 42.910 1.00 0.00 O +ATOM 1808 N LEU 113 25.290 23.400 44.220 1.00 0.00 N +ATOM 1809 HN LEU 113 25.422 22.482 44.584 1.00 0.00 H +ATOM 1810 CA LEU 113 26.190 24.390 44.710 1.00 0.00 C +ATOM 1811 HA LEU 113 25.638 25.232 45.100 1.00 0.00 H +ATOM 1812 CB LEU 113 27.110 23.790 45.820 1.00 0.00 C +ATOM 1813 HB1 LEU 113 26.450 23.550 46.680 1.00 0.00 H +ATOM 1814 HB2 LEU 113 27.480 22.850 45.360 1.00 0.00 H +ATOM 1815 CG LEU 113 28.320 24.660 46.170 1.00 0.00 C +ATOM 1816 HG LEU 113 28.872 24.892 45.236 1.00 0.00 H +ATOM 1817 CD1 LEU 113 27.990 26.090 46.720 1.00 0.00 C +ATOM 1818 1HD1 LEU 113 27.078 26.480 46.220 1.00 0.00 H +ATOM 1819 2HD1 LEU 113 27.732 25.980 47.796 1.00 0.00 H +ATOM 1820 3HD1 LEU 113 28.856 26.778 46.610 1.00 0.00 H +ATOM 1821 CD2 LEU 113 29.200 23.950 47.130 1.00 0.00 C +ATOM 1822 1HD2 LEU 113 30.046 24.538 47.548 1.00 0.00 H +ATOM 1823 2HD2 LEU 113 28.660 23.450 47.962 1.00 0.00 H +ATOM 1824 3HD2 LEU 113 29.738 23.182 46.532 1.00 0.00 H +ATOM 1825 C LEU 113 27.060 24.870 43.620 1.00 0.00 C +ATOM 1826 O LEU 113 27.370 26.050 43.490 1.00 0.00 O +ATOM 1827 N GLY 114 27.420 23.930 42.730 1.00 0.00 N +ATOM 1828 HN GLY 114 27.220 22.962 42.860 1.00 0.00 H +ATOM 1829 CA GLY 114 28.300 24.180 41.560 1.00 0.00 C +ATOM 1830 HA1 GLY 114 29.148 24.730 41.940 1.00 0.00 H +ATOM 1831 HA2 GLY 114 28.650 23.220 41.210 1.00 0.00 H +ATOM 1832 C GLY 114 27.730 25.120 40.560 1.00 0.00 C +ATOM 1833 O GLY 114 28.410 26.080 40.160 1.00 0.00 O +ATOM 1834 N LEU 115 26.470 24.850 40.220 1.00 0.00 N +ATOM 1835 HN LEU 115 26.112 23.976 40.538 1.00 0.00 H +ATOM 1836 CA LEU 115 25.540 25.710 39.460 1.00 0.00 C +ATOM 1837 HA LEU 115 25.992 25.900 38.498 1.00 0.00 H +ATOM 1838 CB LEU 115 24.140 25.000 39.370 1.00 0.00 C +ATOM 1839 HB1 LEU 115 23.930 24.480 40.330 1.00 0.00 H +ATOM 1840 HB2 LEU 115 23.310 25.710 39.160 1.00 0.00 H +ATOM 1841 CG LEU 115 23.990 23.890 38.340 1.00 0.00 C +ATOM 1842 HG LEU 115 24.704 23.074 38.582 1.00 0.00 H +ATOM 1843 CD1 LEU 115 22.650 23.150 38.400 1.00 0.00 C +ATOM 1844 1HD1 LEU 115 22.530 22.488 39.284 1.00 0.00 H +ATOM 1845 2HD1 LEU 115 21.830 23.900 38.420 1.00 0.00 H +ATOM 1846 3HD1 LEU 115 22.510 22.500 37.510 1.00 0.00 H +ATOM 1847 CD2 LEU 115 24.260 24.400 36.990 1.00 0.00 C +ATOM 1848 1HD2 LEU 115 24.250 23.512 36.322 1.00 0.00 H +ATOM 1849 2HD2 LEU 115 23.438 25.060 36.640 1.00 0.00 H +ATOM 1850 3HD2 LEU 115 25.312 24.720 36.830 1.00 0.00 H +ATOM 1851 C LEU 115 25.380 27.100 40.150 1.00 0.00 C +ATOM 1852 O LEU 115 25.610 28.090 39.490 1.00 0.00 O +ATOM 1853 N SER 116 25.240 27.130 41.450 1.00 0.00 N +ATOM 1854 HN SER 116 25.210 26.308 42.014 1.00 0.00 H +ATOM 1855 CA SER 116 25.080 28.420 42.100 1.00 0.00 C +ATOM 1856 HA SER 116 24.284 29.046 41.722 1.00 0.00 H +ATOM 1857 CB SER 116 24.710 28.240 43.640 1.00 0.00 C +ATOM 1858 HB1 SER 116 23.790 27.620 43.710 1.00 0.00 H +ATOM 1859 HB2 SER 116 25.598 27.890 44.208 1.00 0.00 H +ATOM 1860 OG SER 116 24.330 29.440 44.340 1.00 0.00 O +ATOM 1861 HG1 SER 116 23.534 29.782 43.928 1.00 0.00 H +ATOM 1862 C SER 116 26.340 29.210 42.100 1.00 0.00 C +ATOM 1863 O SER 116 26.340 30.390 41.800 1.00 0.00 O +ATOM 1864 N LEU 117 27.530 28.500 42.230 1.00 0.00 N +ATOM 1865 HN LEU 117 27.570 27.520 42.410 1.00 0.00 H +ATOM 1866 CA LEU 117 28.880 29.100 42.140 1.00 0.00 C +ATOM 1867 HA LEU 117 28.960 30.024 42.692 1.00 0.00 H +ATOM 1868 CB LEU 117 30.110 28.200 42.620 1.00 0.00 C +ATOM 1869 HB1 LEU 117 30.180 27.268 42.018 1.00 0.00 H +ATOM 1870 HB2 LEU 117 31.032 28.810 42.510 1.00 0.00 H +ATOM 1871 CG LEU 117 29.930 27.920 44.170 1.00 0.00 C +ATOM 1872 HG LEU 117 28.932 27.520 44.450 1.00 0.00 H +ATOM 1873 CD1 LEU 117 30.890 26.820 44.620 1.00 0.00 C +ATOM 1874 1HD1 LEU 117 31.896 27.168 44.302 1.00 0.00 H +ATOM 1875 2HD1 LEU 117 30.810 26.770 45.726 1.00 0.00 H +ATOM 1876 3HD1 LEU 117 30.630 25.832 44.182 1.00 0.00 H +ATOM 1877 CD2 LEU 117 30.100 29.190 44.980 1.00 0.00 C +ATOM 1878 1HD2 LEU 117 31.196 29.330 45.080 1.00 0.00 H +ATOM 1879 2HD2 LEU 117 29.590 30.130 44.680 1.00 0.00 H +ATOM 1880 3HD2 LEU 117 29.610 28.910 45.938 1.00 0.00 H +ATOM 1881 C LEU 117 29.160 29.690 40.750 1.00 0.00 C +ATOM 1882 O LEU 117 29.790 30.730 40.710 1.00 0.00 O +ATOM 1883 N HIS 118 28.680 29.080 39.670 1.00 0.00 N +ATOM 1884 HN HIS 118 28.148 28.238 39.710 1.00 0.00 H +ATOM 1885 CA HIS 118 28.720 29.560 38.310 1.00 0.00 C +ATOM 1886 HA HIS 118 29.766 29.730 38.100 1.00 0.00 H +ATOM 1887 CB HIS 118 28.090 28.570 37.310 1.00 0.00 C +ATOM 1888 HB1 HIS 118 28.684 27.664 37.552 1.00 0.00 H +ATOM 1889 HB2 HIS 118 27.004 28.480 37.530 1.00 0.00 H +ATOM 1890 ND1 HIS 118 29.170 28.040 35.030 1.00 0.00 N +ATOM 1891 HD1 HIS 118 29.618 27.212 35.368 1.00 0.00 H +ATOM 1892 CG HIS 118 28.360 28.820 35.860 1.00 0.00 C +ATOM 1893 CE1 HIS 118 29.050 28.410 33.740 1.00 0.00 C +ATOM 1894 HE1 HIS 118 29.828 28.180 33.012 1.00 0.00 H +ATOM 1895 NE2 HIS 118 28.130 29.370 33.670 1.00 0.00 N +ATOM 1896 CD2 HIS 118 27.760 29.650 34.950 1.00 0.00 C +ATOM 1897 HD2 HIS 118 26.998 30.392 35.150 1.00 0.00 H +ATOM 1898 C HIS 118 27.990 30.900 38.140 1.00 0.00 C +ATOM 1899 O HIS 118 28.440 31.850 37.470 1.00 0.00 O +ATOM 1900 N TYR 119 26.750 31.020 38.780 1.00 0.00 N +ATOM 1901 HN TYR 119 26.270 30.260 39.210 1.00 0.00 H +ATOM 1902 CA TYR 119 25.950 32.270 38.730 1.00 0.00 C +ATOM 1903 HA TYR 119 26.030 32.628 37.714 1.00 0.00 H +ATOM 1904 CB TYR 119 24.510 31.960 39.190 1.00 0.00 C +ATOM 1905 HB1 TYR 119 24.600 31.342 40.108 1.00 0.00 H +ATOM 1906 HB2 TYR 119 23.830 32.810 39.410 1.00 0.00 H +ATOM 1907 CG TYR 119 23.740 31.100 38.130 1.00 0.00 C +ATOM 1908 CD1 TYR 119 23.430 31.690 36.920 1.00 0.00 C +ATOM 1909 HD1 TYR 119 23.800 32.668 36.650 1.00 0.00 H +ATOM 1910 CE1 TYR 119 22.680 31.020 35.980 1.00 0.00 C +ATOM 1911 HE1 TYR 119 22.340 31.550 35.102 1.00 0.00 H +ATOM 1912 CZ TYR 119 22.150 29.740 36.270 1.00 0.00 C +ATOM 1913 OH TYR 119 21.320 29.070 35.310 1.00 0.00 O +ATOM 1914 HH TYR 119 21.320 29.582 34.498 1.00 0.00 H +ATOM 1915 CD2 TYR 119 23.300 29.820 38.400 1.00 0.00 C +ATOM 1916 HD2 TYR 119 23.350 29.420 39.402 1.00 0.00 H +ATOM 1917 CE2 TYR 119 22.550 29.090 37.440 1.00 0.00 C +ATOM 1918 HE2 TYR 119 22.192 28.112 37.730 1.00 0.00 H +ATOM 1919 C TYR 119 26.400 33.450 39.520 1.00 0.00 C +ATOM 1920 O TYR 119 26.260 34.590 39.040 1.00 0.00 O +ATOM 1921 N LEU 120 27.010 33.250 40.680 1.00 0.00 N +ATOM 1922 HN LEU 120 26.940 32.362 41.128 1.00 0.00 H +ATOM 1923 CA LEU 120 27.790 34.240 41.350 1.00 0.00 C +ATOM 1924 HA LEU 120 27.328 35.194 41.560 1.00 0.00 H +ATOM 1925 CB LEU 120 28.140 33.610 42.700 1.00 0.00 C +ATOM 1926 HB1 LEU 120 27.268 33.068 43.122 1.00 0.00 H +ATOM 1927 HB2 LEU 120 28.926 32.874 42.422 1.00 0.00 H +ATOM 1928 CG LEU 120 28.890 34.450 43.770 1.00 0.00 C +ATOM 1929 HG LEU 120 29.672 34.982 43.188 1.00 0.00 H +ATOM 1930 CD1 LEU 120 28.010 35.470 44.470 1.00 0.00 C +ATOM 1931 1HD1 LEU 120 27.120 35.070 45.000 1.00 0.00 H +ATOM 1932 2HD1 LEU 120 28.562 36.122 45.182 1.00 0.00 H +ATOM 1933 3HD1 LEU 120 27.600 36.248 43.792 1.00 0.00 H +ATOM 1934 CD2 LEU 120 29.570 33.450 44.750 1.00 0.00 C +ATOM 1935 1HD2 LEU 120 28.746 33.108 45.412 1.00 0.00 H +ATOM 1936 2HD2 LEU 120 29.930 32.510 44.280 1.00 0.00 H +ATOM 1937 3HD2 LEU 120 30.308 33.958 45.408 1.00 0.00 H +ATOM 1938 C LEU 120 29.020 34.630 40.600 1.00 0.00 C +ATOM 1939 O LEU 120 29.390 35.790 40.430 1.00 0.00 O +ATOM 1940 N GLY 121 29.800 33.620 40.170 1.00 0.00 N +ATOM 1941 HN GLY 121 29.428 32.696 40.200 1.00 0.00 H +ATOM 1942 CA GLY 121 31.010 33.890 39.500 1.00 0.00 C +ATOM 1943 HA1 GLY 121 31.780 34.260 40.160 1.00 0.00 H +ATOM 1944 HA2 GLY 121 31.322 32.946 39.078 1.00 0.00 H +ATOM 1945 C GLY 121 30.860 34.910 38.370 1.00 0.00 C +ATOM 1946 O GLY 121 31.660 35.860 38.310 1.00 0.00 O +ATOM 1947 N ASP 122 29.920 34.780 37.430 1.00 0.00 N +ATOM 1948 HN ASP 122 29.278 34.018 37.400 1.00 0.00 H +ATOM 1949 CA ASP 122 29.710 35.660 36.240 1.00 0.00 C +ATOM 1950 HA ASP 122 30.716 35.840 35.892 1.00 0.00 H +ATOM 1951 CB ASP 122 28.550 34.990 35.340 1.00 0.00 C +ATOM 1952 HB1 ASP 122 27.678 34.608 35.912 1.00 0.00 H +ATOM 1953 HB2 ASP 122 28.242 35.784 34.626 1.00 0.00 H +ATOM 1954 CG ASP 122 29.260 33.990 34.440 1.00 0.00 C +ATOM 1955 OD1 ASP 122 30.470 34.050 34.270 1.00 0.00 O +ATOM 1956 OD2 ASP 122 28.530 33.180 33.830 1.00 0.00 O +ATOM 1957 C ASP 122 29.240 37.150 36.560 1.00 0.00 C +ATOM 1958 O ASP 122 29.520 38.080 35.810 1.00 0.00 O +ATOM 1959 N VAL 123 28.810 37.350 37.800 1.00 0.00 N +ATOM 1960 HN VAL 123 28.840 36.562 38.410 1.00 0.00 H +ATOM 1961 CA VAL 123 28.390 38.670 38.230 1.00 0.00 C +ATOM 1962 HA VAL 123 28.092 39.228 37.354 1.00 0.00 H +ATOM 1963 CB VAL 123 27.140 38.840 39.090 1.00 0.00 C +ATOM 1964 HB VAL 123 27.030 39.944 39.150 1.00 0.00 H +ATOM 1965 CG1 VAL 123 25.910 38.390 38.280 1.00 0.00 C +ATOM 1966 1HG1 VAL 123 25.046 38.640 38.932 1.00 0.00 H +ATOM 1967 2HG1 VAL 123 25.950 38.922 37.306 1.00 0.00 H +ATOM 1968 3HG1 VAL 123 25.810 37.290 38.150 1.00 0.00 H +ATOM 1969 CG2 VAL 123 27.260 38.200 40.490 1.00 0.00 C +ATOM 1970 1HG2 VAL 123 26.488 38.520 41.222 1.00 0.00 H +ATOM 1971 2HG2 VAL 123 27.220 37.096 40.370 1.00 0.00 H +ATOM 1972 3HG2 VAL 123 28.270 38.400 40.910 1.00 0.00 H +ATOM 1973 C VAL 123 29.570 39.440 38.670 1.00 0.00 C +ATOM 1974 O VAL 123 29.530 40.600 38.830 1.00 0.00 O +ATOM 1975 N ASN 124 30.770 38.760 38.770 1.00 0.00 N +ATOM 1976 HN ASN 124 30.760 37.766 38.690 1.00 0.00 H +ATOM 1977 CA ASN 124 32.040 39.370 38.870 1.00 0.00 C +ATOM 1978 HA ASN 124 31.890 40.362 39.270 1.00 0.00 H +ATOM 1979 CB ASN 124 33.080 38.580 39.740 1.00 0.00 C +ATOM 1980 HB1 ASN 124 33.390 37.628 39.260 1.00 0.00 H +ATOM 1981 HB2 ASN 124 34.066 39.088 39.800 1.00 0.00 H +ATOM 1982 CG ASN 124 32.480 38.190 41.110 1.00 0.00 C +ATOM 1983 OD1 ASN 124 32.150 36.990 41.330 1.00 0.00 O +ATOM 1984 ND2 ASN 124 32.580 38.990 42.110 1.00 0.00 N +ATOM 1985 1HD2 ASN 124 33.080 39.850 42.010 1.00 0.00 H +ATOM 1986 2HD2 ASN 124 32.500 38.580 43.018 1.00 0.00 H +ATOM 1987 C ASN 124 32.630 39.680 37.380 1.00 0.00 C +ATOM 1988 O ASN 124 33.720 40.260 37.280 1.00 0.00 O +ATOM 1989 N GLN 125 31.940 39.330 36.310 1.00 0.00 N +ATOM 1990 HN GLN 125 31.084 38.832 36.440 1.00 0.00 H +ATOM 1991 CA GLN 125 32.400 39.610 34.970 1.00 0.00 C +ATOM 1992 HA GLN 125 33.466 39.760 35.050 1.00 0.00 H +ATOM 1993 CB GLN 125 32.010 38.360 34.090 1.00 0.00 C +ATOM 1994 HB1 GLN 125 32.060 37.518 34.812 1.00 0.00 H +ATOM 1995 HB2 GLN 125 30.942 38.200 33.830 1.00 0.00 H +ATOM 1996 CG GLN 125 33.030 38.000 32.950 1.00 0.00 C +ATOM 1997 HG1 GLN 125 34.078 37.850 33.290 1.00 0.00 H +ATOM 1998 HG2 GLN 125 32.810 37.022 32.470 1.00 0.00 H +ATOM 1999 CD GLN 125 33.130 39.080 31.880 1.00 0.00 C +ATOM 2000 OE1 GLN 125 32.420 40.090 31.810 1.00 0.00 O +ATOM 2001 NE2 GLN 125 34.000 38.810 30.910 1.00 0.00 N +ATOM 2002 1HE2 GLN 125 34.596 38.014 31.020 1.00 0.00 H +ATOM 2003 2HE2 GLN 125 33.550 38.880 30.020 1.00 0.00 H +ATOM 2004 C GLN 125 31.600 40.810 34.550 1.00 0.00 C +ATOM 2005 O GLN 125 30.340 40.740 34.530 1.00 0.00 O +ATOM 2006 N PRO 126 32.190 41.960 34.190 1.00 0.00 N +ATOM 2007 CD PRO 126 33.600 42.190 34.360 1.00 0.00 C +ATOM 2008 HD1 PRO 126 34.084 41.898 33.404 1.00 0.00 H +ATOM 2009 HD2 PRO 126 34.038 41.622 35.208 1.00 0.00 H +ATOM 2010 CA PRO 126 31.410 43.220 34.040 1.00 0.00 C +ATOM 2011 HA PRO 126 30.678 43.280 34.832 1.00 0.00 H +ATOM 2012 CB PRO 126 32.490 44.310 33.910 1.00 0.00 C +ATOM 2013 HB1 PRO 126 32.828 44.380 32.854 1.00 0.00 H +ATOM 2014 HB2 PRO 126 32.130 45.250 34.380 1.00 0.00 H +ATOM 2015 CG PRO 126 33.600 43.710 34.720 1.00 0.00 C +ATOM 2016 HG1 PRO 126 34.570 44.190 34.470 1.00 0.00 H +ATOM 2017 HG2 PRO 126 33.440 43.890 35.804 1.00 0.00 H +ATOM 2018 C PRO 126 30.570 43.200 32.770 1.00 0.00 C +ATOM 2019 O PRO 126 29.490 43.880 32.810 1.00 0.00 O +ATOM 2020 N MET 127 30.930 42.520 31.680 1.00 0.00 N +ATOM 2021 HN MET 127 31.722 41.918 31.740 1.00 0.00 H +ATOM 2022 CA MET 127 30.100 42.420 30.510 1.00 0.00 C +ATOM 2023 HA MET 127 29.980 43.458 30.240 1.00 0.00 H +ATOM 2024 CB MET 127 30.750 41.600 29.420 1.00 0.00 C +ATOM 2025 HB1 MET 127 30.960 40.572 29.788 1.00 0.00 H +ATOM 2026 HB2 MET 127 30.042 41.430 28.582 1.00 0.00 H +ATOM 2027 CG MET 127 32.040 42.150 28.880 1.00 0.00 C +ATOM 2028 HG1 MET 127 31.762 43.064 28.314 1.00 0.00 H +ATOM 2029 HG2 MET 127 32.742 42.370 29.712 1.00 0.00 H +ATOM 2030 SD MET 127 32.800 40.910 27.820 1.00 0.00 S +ATOM 2031 CE MET 127 34.040 42.030 27.050 1.00 0.00 C +ATOM 2032 HE1 MET 127 34.180 41.750 25.984 1.00 0.00 H +ATOM 2033 HE2 MET 127 33.668 43.076 27.080 1.00 0.00 H +ATOM 2034 HE3 MET 127 35.068 41.980 27.470 1.00 0.00 H +ATOM 2035 C MET 127 28.750 41.740 30.820 1.00 0.00 C +ATOM 2036 O MET 127 27.740 42.230 30.410 1.00 0.00 O +ATOM 2037 N HIS 128 28.850 40.650 31.630 1.00 0.00 N +ATOM 2038 HN HIS 128 29.698 40.246 31.964 1.00 0.00 H +ATOM 2039 CA HIS 128 27.690 40.070 32.250 1.00 0.00 C +ATOM 2040 HA HIS 128 27.062 39.772 31.424 1.00 0.00 H +ATOM 2041 CB HIS 128 28.030 38.780 33.040 1.00 0.00 C +ATOM 2042 HB1 HIS 128 28.840 39.020 33.760 1.00 0.00 H +ATOM 2043 HB2 HIS 128 27.176 38.482 33.686 1.00 0.00 H +ATOM 2044 ND1 HIS 128 27.930 36.460 32.000 1.00 0.00 N +ATOM 2045 HD1 HIS 128 27.008 36.280 32.340 1.00 0.00 H +ATOM 2046 CG HIS 128 28.610 37.650 32.150 1.00 0.00 C +ATOM 2047 CE1 HIS 128 28.740 35.620 31.400 1.00 0.00 C +ATOM 2048 HE1 HIS 128 28.520 34.560 31.270 1.00 0.00 H +ATOM 2049 NE2 HIS 128 29.910 36.170 31.080 1.00 0.00 N +ATOM 2050 CD2 HIS 128 29.810 37.480 31.480 1.00 0.00 C +ATOM 2051 HD2 HIS 128 30.610 38.200 31.350 1.00 0.00 H +ATOM 2052 C HIS 128 26.860 41.060 33.120 1.00 0.00 C +ATOM 2053 O HIS 128 25.650 41.170 33.080 1.00 0.00 O +ATOM 2054 N ALA 129 27.550 41.830 33.980 1.00 0.00 N +ATOM 2055 HN ALA 129 28.548 41.840 33.970 1.00 0.00 H +ATOM 2056 CA ALA 129 26.940 42.700 34.970 1.00 0.00 C +ATOM 2057 HA ALA 129 26.090 42.240 35.450 1.00 0.00 H +ATOM 2058 CB ALA 129 28.030 43.110 36.020 1.00 0.00 C +ATOM 2059 HB1 ALA 129 27.600 43.740 36.828 1.00 0.00 H +ATOM 2060 HB2 ALA 129 28.558 42.282 36.538 1.00 0.00 H +ATOM 2061 HB3 ALA 129 28.838 43.728 35.572 1.00 0.00 H +ATOM 2062 C ALA 129 26.330 43.960 34.420 1.00 0.00 C +ATOM 2063 O ALA 129 25.450 44.560 35.040 1.00 0.00 O +ATOM 2064 N ALA 130 26.750 44.330 33.160 1.00 0.00 N +ATOM 2065 HN ALA 130 27.536 43.852 32.772 1.00 0.00 H +ATOM 2066 CA ALA 130 26.210 45.430 32.430 1.00 0.00 C +ATOM 2067 HA ALA 130 25.500 45.830 33.140 1.00 0.00 H +ATOM 2068 CB ALA 130 27.200 46.550 32.080 1.00 0.00 C +ATOM 2069 HB1 ALA 130 26.692 47.538 32.080 1.00 0.00 H +ATOM 2070 HB2 ALA 130 28.000 46.680 32.840 1.00 0.00 H +ATOM 2071 HB3 ALA 130 27.630 46.390 31.068 1.00 0.00 H +ATOM 2072 C ALA 130 25.360 45.010 31.230 1.00 0.00 C +ATOM 2073 O ALA 130 24.840 45.890 30.530 1.00 0.00 O +ATOM 2074 N ASN 131 25.200 43.620 31.070 1.00 0.00 N +ATOM 2075 HN ASN 131 25.842 42.998 31.512 1.00 0.00 H +ATOM 2076 CA ASN 131 24.360 43.090 29.990 1.00 0.00 C +ATOM 2077 HA ASN 131 24.220 42.028 30.120 1.00 0.00 H +ATOM 2078 CB ASN 131 22.900 43.570 30.090 1.00 0.00 C +ATOM 2079 HB1 ASN 131 22.860 44.680 30.080 1.00 0.00 H +ATOM 2080 HB2 ASN 131 22.146 43.282 29.326 1.00 0.00 H +ATOM 2081 CG ASN 131 22.160 43.220 31.400 1.00 0.00 C +ATOM 2082 OD1 ASN 131 21.030 43.620 31.580 1.00 0.00 O +ATOM 2083 ND2 ASN 131 22.800 42.520 32.360 1.00 0.00 N +ATOM 2084 1HD2 ASN 131 23.702 42.118 32.210 1.00 0.00 H +ATOM 2085 2HD2 ASN 131 22.384 42.410 33.264 1.00 0.00 H +ATOM 2086 C ASN 131 24.890 43.200 28.540 1.00 0.00 C +ATOM 2087 O ASN 131 24.120 43.070 27.610 1.00 0.00 O +ATOM 2088 N PHE 132 26.260 43.300 28.370 1.00 0.00 N +ATOM 2089 HN PHE 132 26.838 43.508 29.156 1.00 0.00 H +ATOM 2090 CA PHE 132 27.040 43.320 27.180 1.00 0.00 C +ATOM 2091 HA PHE 132 26.530 43.920 26.440 1.00 0.00 H +ATOM 2092 CB PHE 132 28.400 44.060 27.370 1.00 0.00 C +ATOM 2093 HB1 PHE 132 28.220 45.094 27.732 1.00 0.00 H +ATOM 2094 HB2 PHE 132 28.960 43.600 28.212 1.00 0.00 H +ATOM 2095 CG PHE 132 29.250 44.080 26.130 1.00 0.00 C +ATOM 2096 CD1 PHE 132 30.070 43.080 25.780 1.00 0.00 C +ATOM 2097 HD1 PHE 132 30.090 42.122 26.278 1.00 0.00 H +ATOM 2098 CE1 PHE 132 30.980 43.280 24.700 1.00 0.00 C +ATOM 2099 HE1 PHE 132 31.642 42.468 24.440 1.00 0.00 H +ATOM 2100 CZ PHE 132 30.930 44.440 23.950 1.00 0.00 C +ATOM 2101 HZ PHE 132 31.694 44.682 23.226 1.00 0.00 H +ATOM 2102 CD2 PHE 132 29.160 45.250 25.360 1.00 0.00 C +ATOM 2103 HD2 PHE 132 28.506 46.054 25.662 1.00 0.00 H +ATOM 2104 CE2 PHE 132 29.950 45.440 24.270 1.00 0.00 C +ATOM 2105 HE2 PHE 132 29.890 46.394 23.768 1.00 0.00 H +ATOM 2106 C PHE 132 27.200 41.870 26.670 1.00 0.00 C +ATOM 2107 O PHE 132 27.860 41.080 27.360 1.00 0.00 O +ATOM 2108 N THR 133 26.650 41.570 25.470 1.00 0.00 N +ATOM 2109 HN THR 133 26.118 42.222 24.938 1.00 0.00 H +ATOM 2110 CA THR 133 26.720 40.140 24.960 1.00 0.00 C +ATOM 2111 HA THR 133 27.228 39.522 25.686 1.00 0.00 H +ATOM 2112 CB THR 133 25.310 39.600 24.640 1.00 0.00 C +ATOM 2113 HB THR 133 25.360 38.490 24.630 1.00 0.00 H +ATOM 2114 OG1 THR 133 24.770 40.080 23.410 1.00 0.00 O +ATOM 2115 HG1 THR 133 24.142 39.372 23.240 1.00 0.00 H +ATOM 2116 CG2 THR 133 24.330 40.040 25.780 1.00 0.00 C +ATOM 2117 1HG2 THR 133 24.240 41.134 25.610 1.00 0.00 H +ATOM 2118 2HG2 THR 133 23.362 39.502 25.690 1.00 0.00 H +ATOM 2119 3HG2 THR 133 24.802 39.758 26.744 1.00 0.00 H +ATOM 2120 C THR 133 27.680 40.010 23.820 1.00 0.00 C +ATOM 2121 O THR 133 28.360 40.870 23.320 1.00 0.00 O +ATOM 2122 N ASN 134 27.850 38.770 23.320 1.00 0.00 N +ATOM 2123 HN ASN 134 27.358 38.036 23.782 1.00 0.00 H +ATOM 2124 CA ASN 134 28.490 38.410 22.110 1.00 0.00 C +ATOM 2125 HA ASN 134 29.526 38.718 22.110 1.00 0.00 H +ATOM 2126 CB ASN 134 28.550 36.860 22.060 1.00 0.00 C +ATOM 2127 HB1 ASN 134 28.760 36.368 23.034 1.00 0.00 H +ATOM 2128 HB2 ASN 134 27.494 36.592 21.840 1.00 0.00 H +ATOM 2129 CG ASN 134 29.470 36.280 21.030 1.00 0.00 C +ATOM 2130 OD1 ASN 134 29.420 36.560 19.820 1.00 0.00 O +ATOM 2131 ND2 ASN 134 30.440 35.480 21.500 1.00 0.00 N +ATOM 2132 1HD2 ASN 134 30.370 35.070 22.410 1.00 0.00 H +ATOM 2133 2HD2 ASN 134 31.070 35.090 20.830 1.00 0.00 H +ATOM 2134 C ASN 134 27.860 39.120 20.860 1.00 0.00 C +ATOM 2135 O ASN 134 28.510 39.650 19.970 1.00 0.00 O +ATOM 2136 N LEU 135 26.580 39.380 20.920 1.00 0.00 N +ATOM 2137 HN LEU 135 26.100 39.220 21.780 1.00 0.00 H +ATOM 2138 CA LEU 135 25.780 40.050 19.950 1.00 0.00 C +ATOM 2139 HA LEU 135 26.390 39.990 19.060 1.00 0.00 H +ATOM 2140 CB LEU 135 24.350 39.470 19.750 1.00 0.00 C +ATOM 2141 HB1 LEU 135 23.770 39.570 20.692 1.00 0.00 H +ATOM 2142 HB2 LEU 135 23.790 40.220 19.150 1.00 0.00 H +ATOM 2143 CG LEU 135 24.340 38.060 19.230 1.00 0.00 C +ATOM 2144 HG LEU 135 25.030 37.430 19.830 1.00 0.00 H +ATOM 2145 CD1 LEU 135 22.950 37.590 19.310 1.00 0.00 C +ATOM 2146 1HD1 LEU 135 22.830 36.546 18.948 1.00 0.00 H +ATOM 2147 2HD1 LEU 135 22.638 37.630 20.376 1.00 0.00 H +ATOM 2148 3HD1 LEU 135 22.184 38.198 18.782 1.00 0.00 H +ATOM 2149 CD2 LEU 135 24.880 38.050 17.800 1.00 0.00 C +ATOM 2150 1HD2 LEU 135 25.130 37.010 17.500 1.00 0.00 H +ATOM 2151 2HD2 LEU 135 24.120 38.380 17.060 1.00 0.00 H +ATOM 2152 3HD2 LEU 135 25.710 38.760 17.600 1.00 0.00 H +ATOM 2153 C LEU 135 25.790 41.630 20.110 1.00 0.00 C +ATOM 2154 O LEU 135 25.520 42.280 19.080 1.00 0.00 O +ATOM 2155 N SER 136 26.150 42.210 21.270 1.00 0.00 N +ATOM 2156 HN SER 136 26.310 41.662 22.088 1.00 0.00 H +ATOM 2157 CA SER 136 26.510 43.570 21.480 1.00 0.00 C +ATOM 2158 HA SER 136 25.698 44.152 21.070 1.00 0.00 H +ATOM 2159 CB SER 136 26.750 43.930 22.940 1.00 0.00 C +ATOM 2160 HB1 SER 136 27.606 43.342 23.338 1.00 0.00 H +ATOM 2161 HB2 SER 136 27.010 45.010 22.960 1.00 0.00 H +ATOM 2162 OG SER 136 25.600 43.720 23.760 1.00 0.00 O +ATOM 2163 HG1 SER 136 24.860 44.240 23.440 1.00 0.00 H +ATOM 2164 C SER 136 27.730 44.110 20.670 1.00 0.00 C +ATOM 2165 O SER 136 28.670 43.390 20.370 1.00 0.00 O +ATOM 2166 N TYR 137 27.800 45.370 20.290 1.00 0.00 N +ATOM 2167 HN TYR 137 27.202 45.948 20.838 1.00 0.00 H +ATOM 2168 CA TYR 137 28.850 45.910 19.520 1.00 0.00 C +ATOM 2169 HA TYR 137 29.120 45.170 18.780 1.00 0.00 H +ATOM 2170 CB TYR 137 28.370 47.280 18.840 1.00 0.00 C +ATOM 2171 HB1 TYR 137 27.512 47.000 18.192 1.00 0.00 H +ATOM 2172 HB2 TYR 137 27.980 47.892 19.682 1.00 0.00 H +ATOM 2173 CG TYR 137 29.410 48.100 18.060 1.00 0.00 C +ATOM 2174 CD1 TYR 137 29.340 47.990 16.680 1.00 0.00 C +ATOM 2175 HD1 TYR 137 28.572 47.342 16.282 1.00 0.00 H +ATOM 2176 CE1 TYR 137 30.360 48.490 15.880 1.00 0.00 C +ATOM 2177 HE1 TYR 137 30.350 48.370 14.808 1.00 0.00 H +ATOM 2178 CZ TYR 137 31.310 49.320 16.440 1.00 0.00 C +ATOM 2179 OH TYR 137 32.330 49.830 15.600 1.00 0.00 O +ATOM 2180 HH TYR 137 32.958 50.358 16.098 1.00 0.00 H +ATOM 2181 CD2 TYR 137 30.360 49.020 18.630 1.00 0.00 C +ATOM 2182 HD2 TYR 137 30.350 49.160 19.700 1.00 0.00 H +ATOM 2183 CE2 TYR 137 31.320 49.610 17.840 1.00 0.00 C +ATOM 2184 HE2 TYR 137 31.958 50.358 18.288 1.00 0.00 H +ATOM 2185 C TYR 137 30.110 46.170 20.240 1.00 0.00 C +ATOM 2186 O TYR 137 30.100 46.690 21.350 1.00 0.00 O +ATOM 2187 N PRO 138 31.340 45.950 19.690 1.00 0.00 N +ATOM 2188 CD PRO 138 32.510 46.430 20.400 1.00 0.00 C +ATOM 2189 HD1 PRO 138 32.480 46.022 21.434 1.00 0.00 H +ATOM 2190 HD2 PRO 138 32.490 47.540 20.400 1.00 0.00 H +ATOM 2191 CA PRO 138 31.700 45.120 18.470 1.00 0.00 C +ATOM 2192 HA PRO 138 31.110 45.460 17.630 1.00 0.00 H +ATOM 2193 CB PRO 138 33.110 45.620 18.240 1.00 0.00 C +ATOM 2194 HB1 PRO 138 33.720 44.940 17.610 1.00 0.00 H +ATOM 2195 HB2 PRO 138 33.100 46.560 17.650 1.00 0.00 H +ATOM 2196 CG PRO 138 33.770 45.890 19.580 1.00 0.00 C +ATOM 2197 HG1 PRO 138 34.162 44.906 19.912 1.00 0.00 H +ATOM 2198 HG2 PRO 138 34.568 46.658 19.480 1.00 0.00 H +ATOM 2199 C PRO 138 31.500 43.640 18.720 1.00 0.00 C +ATOM 2200 O PRO 138 31.990 43.090 19.720 1.00 0.00 O +ATOM 2201 N GLN 139 30.590 43.000 17.960 1.00 0.00 N +ATOM 2202 HN GLN 139 29.984 43.566 17.404 1.00 0.00 H +ATOM 2203 CA GLN 139 30.240 41.640 18.120 1.00 0.00 C +ATOM 2204 HA GLN 139 29.742 41.620 19.078 1.00 0.00 H +ATOM 2205 CB GLN 139 29.090 41.110 17.080 1.00 0.00 C +ATOM 2206 HB1 GLN 139 28.542 40.254 17.528 1.00 0.00 H +ATOM 2207 HB2 GLN 139 28.378 41.952 17.220 1.00 0.00 H +ATOM 2208 CG GLN 139 29.510 41.050 15.540 1.00 0.00 C +ATOM 2209 HG1 GLN 139 28.630 41.370 14.940 1.00 0.00 H +ATOM 2210 HG2 GLN 139 30.434 41.652 15.410 1.00 0.00 H +ATOM 2211 CD GLN 139 29.820 39.550 15.320 1.00 0.00 C +ATOM 2212 OE1 GLN 139 28.980 38.630 15.470 1.00 0.00 O +ATOM 2213 NE2 GLN 139 31.000 39.240 14.750 1.00 0.00 N +ATOM 2214 1HE2 GLN 139 31.620 39.960 14.440 1.00 0.00 H +ATOM 2215 2HE2 GLN 139 31.280 38.280 14.750 1.00 0.00 H +ATOM 2216 C GLN 139 31.390 40.590 18.160 1.00 0.00 C +ATOM 2217 O GLN 139 32.360 40.620 17.410 1.00 0.00 O +ATOM 2218 N GLY 140 31.360 39.660 19.120 1.00 0.00 N +ATOM 2219 HN GLY 140 30.550 39.680 19.700 1.00 0.00 H +ATOM 2220 CA GLY 140 32.310 38.640 19.270 1.00 0.00 C +ATOM 2221 HA1 GLY 140 31.888 37.918 19.952 1.00 0.00 H +ATOM 2222 HA2 GLY 140 32.480 38.270 18.270 1.00 0.00 H +ATOM 2223 C GLY 140 33.560 39.090 20.030 1.00 0.00 C +ATOM 2224 O GLY 140 34.530 38.440 20.260 1.00 0.00 O +ATOM 2225 N PHE 141 33.580 40.340 20.640 1.00 0.00 N +ATOM 2226 HN PHE 141 32.930 41.010 20.290 1.00 0.00 H +ATOM 2227 CA PHE 141 34.550 40.830 21.590 1.00 0.00 C +ATOM 2228 HA PHE 141 35.536 40.690 21.172 1.00 0.00 H +ATOM 2229 CB PHE 141 34.350 42.410 21.970 1.00 0.00 C +ATOM 2230 HB1 PHE 141 34.490 42.978 21.024 1.00 0.00 H +ATOM 2231 HB2 PHE 141 33.346 42.560 22.422 1.00 0.00 H +ATOM 2232 CG PHE 141 35.350 42.910 23.000 1.00 0.00 C +ATOM 2233 CD1 PHE 141 36.740 42.630 23.010 1.00 0.00 C +ATOM 2234 HD1 PHE 141 37.140 41.850 22.380 1.00 0.00 H +ATOM 2235 CE1 PHE 141 37.580 43.140 23.960 1.00 0.00 C +ATOM 2236 HE1 PHE 141 38.548 42.692 24.130 1.00 0.00 H +ATOM 2237 CZ PHE 141 37.120 44.130 24.900 1.00 0.00 C +ATOM 2238 HZ PHE 141 37.792 44.582 25.614 1.00 0.00 H +ATOM 2239 CD2 PHE 141 34.890 43.920 23.920 1.00 0.00 C +ATOM 2240 HD2 PHE 141 33.842 44.180 23.940 1.00 0.00 H +ATOM 2241 CE2 PHE 141 35.760 44.440 24.830 1.00 0.00 C +ATOM 2242 HE2 PHE 141 35.400 45.208 25.498 1.00 0.00 H +ATOM 2243 C PHE 141 34.490 40.010 22.860 1.00 0.00 C +ATOM 2244 O PHE 141 35.570 39.620 23.340 1.00 0.00 O +ATOM 2245 N HIS 142 33.220 39.750 23.340 1.00 0.00 N +ATOM 2246 HN HIS 142 32.508 40.150 22.768 1.00 0.00 H +ATOM 2247 CA HIS 142 32.830 39.100 24.520 1.00 0.00 C +ATOM 2248 HA HIS 142 33.286 39.686 25.304 1.00 0.00 H +ATOM 2249 CB HIS 142 31.340 39.090 24.680 1.00 0.00 C +ATOM 2250 HB1 HIS 142 30.980 40.140 24.630 1.00 0.00 H +ATOM 2251 HB2 HIS 142 30.862 38.564 23.826 1.00 0.00 H +ATOM 2252 ND1 HIS 142 29.890 38.930 26.820 1.00 0.00 N +ATOM 2253 HD1 HIS 142 29.840 39.920 26.950 1.00 0.00 H +ATOM 2254 CG HIS 142 30.560 38.320 25.820 1.00 0.00 C +ATOM 2255 CE1 HIS 142 29.280 37.990 27.530 1.00 0.00 C +ATOM 2256 HE1 HIS 142 28.614 38.178 28.374 1.00 0.00 H +ATOM 2257 NE2 HIS 142 29.470 36.730 27.040 1.00 0.00 N +ATOM 2258 CD2 HIS 142 30.260 36.960 25.910 1.00 0.00 C +ATOM 2259 HD2 HIS 142 30.562 36.196 25.206 1.00 0.00 H +ATOM 2260 C HIS 142 33.480 37.710 24.620 1.00 0.00 C +ATOM 2261 O HIS 142 34.040 37.440 25.680 1.00 0.00 O +ATOM 2262 N SER 143 33.570 36.820 23.570 1.00 0.00 N +ATOM 2263 HN SER 143 33.142 37.038 22.696 1.00 0.00 H +ATOM 2264 CA SER 143 34.230 35.550 23.670 1.00 0.00 C +ATOM 2265 HA SER 143 33.980 35.190 24.658 1.00 0.00 H +ATOM 2266 CB SER 143 33.670 34.500 22.690 1.00 0.00 C +ATOM 2267 HB1 SER 143 34.328 33.604 22.660 1.00 0.00 H +ATOM 2268 HB2 SER 143 32.662 34.248 23.082 1.00 0.00 H +ATOM 2269 OG SER 143 33.470 35.050 21.420 1.00 0.00 O +ATOM 2270 HG1 SER 143 33.108 34.324 20.906 1.00 0.00 H +ATOM 2271 C SER 143 35.680 35.600 23.460 1.00 0.00 C +ATOM 2272 O SER 143 36.430 34.850 24.020 1.00 0.00 O +ATOM 2273 N LYS 144 36.180 36.500 22.580 1.00 0.00 N +ATOM 2274 HN LYS 144 35.548 37.162 22.188 1.00 0.00 H +ATOM 2275 CA LYS 144 37.600 36.660 22.440 1.00 0.00 C +ATOM 2276 HA LYS 144 37.970 35.662 22.260 1.00 0.00 H +ATOM 2277 CB LYS 144 38.040 37.490 21.190 1.00 0.00 C +ATOM 2278 HB1 LYS 144 37.642 38.526 21.260 1.00 0.00 H +ATOM 2279 HB2 LYS 144 39.150 37.520 21.210 1.00 0.00 H +ATOM 2280 CG LYS 144 37.550 36.810 19.940 1.00 0.00 C +ATOM 2281 HG1 LYS 144 37.762 35.722 20.010 1.00 0.00 H +ATOM 2282 HG2 LYS 144 36.442 36.850 19.870 1.00 0.00 H +ATOM 2283 CD LYS 144 38.130 37.380 18.660 1.00 0.00 C +ATOM 2284 HD1 LYS 144 37.980 38.458 18.440 1.00 0.00 H +ATOM 2285 HD2 LYS 144 39.234 37.270 18.680 1.00 0.00 H +ATOM 2286 CE LYS 144 37.670 36.670 17.300 1.00 0.00 C +ATOM 2287 HE1 LYS 144 37.980 37.222 16.388 1.00 0.00 H +ATOM 2288 HE2 LYS 144 38.170 35.678 17.280 1.00 0.00 H +ATOM 2289 NZ LYS 144 36.230 36.450 17.050 1.00 0.00 N +ATOM 2290 HZ1 LYS 144 35.640 37.300 16.950 1.00 0.00 H +ATOM 2291 HZ2 LYS 144 36.072 35.834 16.226 1.00 0.00 H +ATOM 2292 HZ3 LYS 144 35.808 36.018 17.896 1.00 0.00 H +ATOM 2293 C LYS 144 38.310 37.100 23.700 1.00 0.00 C +ATOM 2294 O LYS 144 39.420 36.590 23.980 1.00 0.00 O +ATOM 2295 N TYR 145 37.560 37.970 24.520 1.00 0.00 N +ATOM 2296 HN TYR 145 36.666 38.252 24.178 1.00 0.00 H +ATOM 2297 CA TYR 145 37.950 38.310 25.840 1.00 0.00 C +ATOM 2298 HA TYR 145 38.970 38.660 25.780 1.00 0.00 H +ATOM 2299 CB TYR 145 37.140 39.550 26.230 1.00 0.00 C +ATOM 2300 HB1 TYR 145 37.360 40.392 25.538 1.00 0.00 H +ATOM 2301 HB2 TYR 145 36.058 39.440 26.000 1.00 0.00 H +ATOM 2302 CG TYR 145 37.340 40.040 27.610 1.00 0.00 C +ATOM 2303 CD1 TYR 145 38.280 40.970 27.980 1.00 0.00 C +ATOM 2304 HD1 TYR 145 38.850 41.360 27.150 1.00 0.00 H +ATOM 2305 CE1 TYR 145 38.530 41.350 29.360 1.00 0.00 C +ATOM 2306 HE1 TYR 145 39.120 42.230 29.570 1.00 0.00 H +ATOM 2307 CZ TYR 145 37.830 40.680 30.380 1.00 0.00 C +ATOM 2308 OH TYR 145 37.940 40.960 31.730 1.00 0.00 O +ATOM 2309 HH TYR 145 38.824 41.298 31.890 1.00 0.00 H +ATOM 2310 CD2 TYR 145 36.680 39.410 28.750 1.00 0.00 C +ATOM 2311 HD2 TYR 145 35.956 38.646 28.508 1.00 0.00 H +ATOM 2312 CE2 TYR 145 36.930 39.680 30.060 1.00 0.00 C +ATOM 2313 HE2 TYR 145 36.410 39.130 30.830 1.00 0.00 H +ATOM 2314 C TYR 145 37.980 37.140 26.840 1.00 0.00 C +ATOM 2315 O TYR 145 38.980 36.970 27.600 1.00 0.00 O +ATOM 2316 N GLU 146 36.980 36.250 26.870 1.00 0.00 N +ATOM 2317 HN GLU 146 36.216 36.400 26.248 1.00 0.00 H +ATOM 2318 CA GLU 146 36.970 35.120 27.840 1.00 0.00 C +ATOM 2319 HA GLU 146 37.170 35.570 28.800 1.00 0.00 H +ATOM 2320 CB GLU 146 35.590 34.380 27.730 1.00 0.00 C +ATOM 2321 HB1 GLU 146 35.500 33.926 26.720 1.00 0.00 H +ATOM 2322 HB2 GLU 146 35.570 33.600 28.520 1.00 0.00 H +ATOM 2323 CG GLU 146 34.390 35.370 28.030 1.00 0.00 C +ATOM 2324 HG1 GLU 146 34.820 36.380 28.200 1.00 0.00 H +ATOM 2325 HG2 GLU 146 33.780 35.590 27.128 1.00 0.00 H +ATOM 2326 CD GLU 146 33.430 34.820 28.990 1.00 0.00 C +ATOM 2327 OE1 GLU 146 32.890 33.700 28.790 1.00 0.00 O +ATOM 2328 OE2 GLU 146 33.280 35.440 30.110 1.00 0.00 O +ATOM 2329 C GLU 146 38.060 34.110 27.530 1.00 0.00 C +ATOM 2330 O GLU 146 38.820 33.680 28.420 1.00 0.00 O +ATOM 2331 N ASN 147 38.260 33.820 26.210 1.00 0.00 N +ATOM 2332 HN ASN 147 37.566 34.032 25.526 1.00 0.00 H +ATOM 2333 CA ASN 147 39.360 32.950 25.760 1.00 0.00 C +ATOM 2334 HA ASN 147 39.290 32.056 26.362 1.00 0.00 H +ATOM 2335 CB ASN 147 39.370 32.720 24.230 1.00 0.00 C +ATOM 2336 HB1 ASN 147 39.700 33.670 23.760 1.00 0.00 H +ATOM 2337 HB2 ASN 147 40.126 31.944 23.988 1.00 0.00 H +ATOM 2338 CG ASN 147 38.040 32.240 23.730 1.00 0.00 C +ATOM 2339 OD1 ASN 147 37.600 32.640 22.660 1.00 0.00 O +ATOM 2340 ND2 ASN 147 37.280 31.440 24.550 1.00 0.00 N +ATOM 2341 1HD2 ASN 147 37.682 31.058 25.382 1.00 0.00 H +ATOM 2342 2HD2 ASN 147 36.344 31.222 24.272 1.00 0.00 H +ATOM 2343 C ASN 147 40.710 33.540 26.230 1.00 0.00 C +ATOM 2344 O ASN 147 41.660 32.820 26.560 1.00 0.00 O +ATOM 2345 N PHE 148 40.910 34.890 26.080 1.00 0.00 N +ATOM 2346 HN PHE 148 40.168 35.462 25.740 1.00 0.00 H +ATOM 2347 CA PHE 148 42.080 35.660 26.500 1.00 0.00 C +ATOM 2348 HA PHE 148 42.960 35.180 26.100 1.00 0.00 H +ATOM 2349 CB PHE 148 42.030 37.090 25.950 1.00 0.00 C +ATOM 2350 HB1 PHE 148 42.120 37.040 24.844 1.00 0.00 H +ATOM 2351 HB2 PHE 148 41.056 37.562 26.200 1.00 0.00 H +ATOM 2352 CG PHE 148 43.070 38.000 26.480 1.00 0.00 C +ATOM 2353 CD1 PHE 148 44.500 37.750 26.350 1.00 0.00 C +ATOM 2354 HD1 PHE 148 44.768 36.774 25.972 1.00 0.00 H +ATOM 2355 CE1 PHE 148 45.420 38.580 26.890 1.00 0.00 C +ATOM 2356 HE1 PHE 148 46.456 38.278 26.870 1.00 0.00 H +ATOM 2357 CZ PHE 148 44.950 39.730 27.510 1.00 0.00 C +ATOM 2358 HZ PHE 148 45.688 40.378 27.958 1.00 0.00 H +ATOM 2359 CD2 PHE 148 42.670 39.160 27.120 1.00 0.00 C +ATOM 2360 HD2 PHE 148 41.604 39.310 27.220 1.00 0.00 H +ATOM 2361 CE2 PHE 148 43.620 40.080 27.490 1.00 0.00 C +ATOM 2362 HE2 PHE 148 43.330 41.048 27.870 1.00 0.00 H +ATOM 2363 C PHE 148 42.310 35.620 28.070 1.00 0.00 C +ATOM 2364 O PHE 148 43.470 35.360 28.430 1.00 0.00 O +ATOM 2365 N VAL 149 41.250 35.780 28.910 1.00 0.00 N +ATOM 2366 HN VAL 149 40.304 35.800 28.592 1.00 0.00 H +ATOM 2367 CA VAL 149 41.390 35.600 30.370 1.00 0.00 C +ATOM 2368 HA VAL 149 41.980 36.360 30.860 1.00 0.00 H +ATOM 2369 CB VAL 149 39.970 35.580 31.140 1.00 0.00 C +ATOM 2370 HB VAL 149 39.410 34.760 30.640 1.00 0.00 H +ATOM 2371 CG1 VAL 149 40.120 35.170 32.600 1.00 0.00 C +ATOM 2372 1HG1 VAL 149 39.178 35.250 33.182 1.00 0.00 H +ATOM 2373 2HG1 VAL 149 40.500 34.130 32.690 1.00 0.00 H +ATOM 2374 3HG1 VAL 149 40.852 35.782 33.170 1.00 0.00 H +ATOM 2375 CG2 VAL 149 39.330 36.960 31.030 1.00 0.00 C +ATOM 2376 1HG2 VAL 149 38.294 36.920 31.428 1.00 0.00 H +ATOM 2377 2HG2 VAL 149 39.778 37.886 31.448 1.00 0.00 H +ATOM 2378 3HG2 VAL 149 39.102 37.180 29.964 1.00 0.00 H +ATOM 2379 C VAL 149 42.100 34.300 30.720 1.00 0.00 C +ATOM 2380 O VAL 149 42.950 34.270 31.580 1.00 0.00 O +ATOM 2381 N ASP 150 41.690 33.120 30.160 1.00 0.00 N +ATOM 2382 HN ASP 150 40.914 33.160 29.534 1.00 0.00 H +ATOM 2383 CA ASP 150 42.370 31.790 30.290 1.00 0.00 C +ATOM 2384 HA ASP 150 42.238 31.568 31.338 1.00 0.00 H +ATOM 2385 CB ASP 150 41.720 30.760 29.460 1.00 0.00 C +ATOM 2386 HB1 ASP 150 41.640 31.090 28.402 1.00 0.00 H +ATOM 2387 HB2 ASP 150 42.250 29.800 29.630 1.00 0.00 H +ATOM 2388 CG ASP 150 40.250 30.530 29.840 1.00 0.00 C +ATOM 2389 OD1 ASP 150 40.050 30.550 31.070 1.00 0.00 O +ATOM 2390 OD2 ASP 150 39.510 30.090 28.940 1.00 0.00 O +ATOM 2391 C ASP 150 43.900 31.820 30.110 1.00 0.00 C +ATOM 2392 O ASP 150 44.670 31.150 30.820 1.00 0.00 O +ATOM 2393 N THR 151 44.380 32.700 29.130 1.00 0.00 N +ATOM 2394 HN THR 151 43.842 33.318 28.562 1.00 0.00 H +ATOM 2395 CA THR 151 45.800 32.590 28.900 1.00 0.00 C +ATOM 2396 HA THR 151 46.130 31.582 29.110 1.00 0.00 H +ATOM 2397 CB THR 151 46.230 33.060 27.470 1.00 0.00 C +ATOM 2398 HB THR 151 47.320 32.940 27.290 1.00 0.00 H +ATOM 2399 OG1 THR 151 45.920 34.490 27.270 1.00 0.00 O +ATOM 2400 HG1 THR 151 45.078 34.590 27.720 1.00 0.00 H +ATOM 2401 CG2 THR 151 45.350 32.280 26.510 1.00 0.00 C +ATOM 2402 1HG2 THR 151 44.278 32.570 26.480 1.00 0.00 H +ATOM 2403 2HG2 THR 151 45.812 32.380 25.506 1.00 0.00 H +ATOM 2404 3HG2 THR 151 45.320 31.180 26.670 1.00 0.00 H +ATOM 2405 C THR 151 46.620 33.460 29.920 1.00 0.00 C +ATOM 2406 O THR 151 47.820 33.350 30.090 1.00 0.00 O +ATOM 2407 N ILE 152 46.000 34.420 30.620 1.00 0.00 N +ATOM 2408 HN ILE 152 45.058 34.740 30.580 1.00 0.00 H +ATOM 2409 CA ILE 152 46.640 35.200 31.610 1.00 0.00 C +ATOM 2410 HA ILE 152 47.718 35.130 31.630 1.00 0.00 H +ATOM 2411 CB ILE 152 46.370 36.690 31.350 1.00 0.00 C +ATOM 2412 HB ILE 152 46.700 37.350 32.180 1.00 0.00 H +ATOM 2413 CG2 ILE 152 47.260 36.960 30.080 1.00 0.00 C +ATOM 2414 1HG2 ILE 152 47.290 38.060 29.920 1.00 0.00 H +ATOM 2415 2HG2 ILE 152 48.314 36.608 30.100 1.00 0.00 H +ATOM 2416 3HG2 ILE 152 46.710 36.420 29.280 1.00 0.00 H +ATOM 2417 CG1 ILE 152 44.890 37.090 31.130 1.00 0.00 C +ATOM 2418 1HG1 ILE 152 44.518 36.598 30.206 1.00 0.00 H +ATOM 2419 2HG1 ILE 152 44.252 36.692 31.948 1.00 0.00 H +ATOM 2420 CD ILE 152 44.760 38.610 30.950 1.00 0.00 C +ATOM 2421 HD1 ILE 152 43.710 38.970 30.910 1.00 0.00 H +ATOM 2422 HD2 ILE 152 45.270 39.130 31.790 1.00 0.00 H +ATOM 2423 HD3 ILE 152 45.322 38.870 30.028 1.00 0.00 H +ATOM 2424 C ILE 152 46.220 34.830 33.050 1.00 0.00 C +ATOM 2425 O ILE 152 47.000 35.190 33.930 1.00 0.00 O +ATOM 2426 N LYS 153 45.130 34.150 33.330 1.00 0.00 N +ATOM 2427 HN LYS 153 44.488 33.970 32.588 1.00 0.00 H +ATOM 2428 CA LYS 153 44.610 33.870 34.650 1.00 0.00 C +ATOM 2429 HA LYS 153 44.212 34.836 34.928 1.00 0.00 H +ATOM 2430 CB LYS 153 43.220 33.120 34.710 1.00 0.00 C +ATOM 2431 HB1 LYS 153 42.688 33.120 35.684 1.00 0.00 H +ATOM 2432 HB2 LYS 153 42.620 33.760 34.030 1.00 0.00 H +ATOM 2433 CG LYS 153 43.140 31.700 34.140 1.00 0.00 C +ATOM 2434 HG1 LYS 153 43.550 31.610 33.112 1.00 0.00 H +ATOM 2435 HG2 LYS 153 43.638 30.922 34.758 1.00 0.00 H +ATOM 2436 CD LYS 153 41.670 31.240 34.120 1.00 0.00 C +ATOM 2437 HD1 LYS 153 41.228 31.462 35.114 1.00 0.00 H +ATOM 2438 HD2 LYS 153 40.982 31.720 33.392 1.00 0.00 H +ATOM 2439 CE LYS 153 41.390 29.700 34.010 1.00 0.00 C +ATOM 2440 HE1 LYS 153 42.038 29.182 34.748 1.00 0.00 H +ATOM 2441 HE2 LYS 153 40.362 29.340 34.230 1.00 0.00 H +ATOM 2442 NZ LYS 153 41.590 29.210 32.710 1.00 0.00 N +ATOM 2443 HZ1 LYS 153 41.022 29.718 32.002 1.00 0.00 H +ATOM 2444 HZ2 LYS 153 42.610 29.300 32.530 1.00 0.00 H +ATOM 2445 HZ3 LYS 153 41.340 28.200 32.700 1.00 0.00 H +ATOM 2446 C LYS 153 45.500 33.520 35.830 1.00 0.00 C +ATOM 2447 O LYS 153 45.390 34.130 36.880 1.00 0.00 O +ATOM 2448 N ASP 154 46.440 32.530 35.640 1.00 0.00 N +ATOM 2449 HN ASP 154 46.490 32.088 34.748 1.00 0.00 H +ATOM 2450 CA ASP 154 47.340 31.960 36.670 1.00 0.00 C +ATOM 2451 HA ASP 154 46.684 31.618 37.456 1.00 0.00 H +ATOM 2452 CB ASP 154 48.150 30.820 36.020 1.00 0.00 C +ATOM 2453 HB1 ASP 154 48.620 31.230 35.100 1.00 0.00 H +ATOM 2454 HB2 ASP 154 48.970 30.450 36.670 1.00 0.00 H +ATOM 2455 CG ASP 154 47.230 29.670 35.720 1.00 0.00 C +ATOM 2456 OD1 ASP 154 46.350 29.370 36.550 1.00 0.00 O +ATOM 2457 OD2 ASP 154 47.520 29.010 34.680 1.00 0.00 O +ATOM 2458 C ASP 154 48.370 32.970 37.260 1.00 0.00 C +ATOM 2459 O ASP 154 48.940 32.700 38.330 1.00 0.00 O +ATOM 2460 N ASN 155 48.520 34.200 36.710 1.00 0.00 N +ATOM 2461 HN ASN 155 48.190 34.330 35.778 1.00 0.00 H +ATOM 2462 CA ASN 155 49.180 35.310 37.300 1.00 0.00 C +ATOM 2463 HA ASN 155 50.110 34.980 37.740 1.00 0.00 H +ATOM 2464 CB ASN 155 49.390 36.570 36.390 1.00 0.00 C +ATOM 2465 HB1 ASN 155 48.390 36.970 36.120 1.00 0.00 H +ATOM 2466 HB2 ASN 155 49.984 37.244 37.044 1.00 0.00 H +ATOM 2467 CG ASN 155 50.050 36.290 35.060 1.00 0.00 C +ATOM 2468 OD1 ASN 155 50.650 35.200 34.770 1.00 0.00 O +ATOM 2469 ND2 ASN 155 49.820 37.180 34.120 1.00 0.00 N +ATOM 2470 1HD2 ASN 155 49.164 37.916 34.290 1.00 0.00 H +ATOM 2471 2HD2 ASN 155 50.190 36.960 33.218 1.00 0.00 H +ATOM 2472 C ASN 155 48.380 35.780 38.470 1.00 0.00 C +ATOM 2473 O ASN 155 48.990 36.270 39.430 1.00 0.00 O +ATOM 2474 N TYR 156 46.990 35.720 38.520 1.00 0.00 N +ATOM 2475 HN TYR 156 46.552 35.112 37.862 1.00 0.00 H +ATOM 2476 CA TYR 156 46.240 36.500 39.540 1.00 0.00 C +ATOM 2477 HA TYR 156 46.888 37.158 40.098 1.00 0.00 H +ATOM 2478 CB TYR 156 45.030 37.210 38.780 1.00 0.00 C +ATOM 2479 HB1 TYR 156 44.342 36.412 38.430 1.00 0.00 H +ATOM 2480 HB2 TYR 156 44.468 37.922 39.422 1.00 0.00 H +ATOM 2481 CG TYR 156 45.400 38.000 37.620 1.00 0.00 C +ATOM 2482 CD1 TYR 156 46.430 38.930 37.690 1.00 0.00 C +ATOM 2483 HD1 TYR 156 46.880 39.270 38.610 1.00 0.00 H +ATOM 2484 CE1 TYR 156 46.910 39.600 36.530 1.00 0.00 C +ATOM 2485 HE1 TYR 156 47.668 40.358 36.670 1.00 0.00 H +ATOM 2486 CZ TYR 156 46.370 39.180 35.270 1.00 0.00 C +ATOM 2487 OH TYR 156 46.840 39.520 34.060 1.00 0.00 O +ATOM 2488 HH TYR 156 47.598 40.090 34.210 1.00 0.00 H +ATOM 2489 CD2 TYR 156 44.810 37.730 36.360 1.00 0.00 C +ATOM 2490 HD2 TYR 156 44.130 36.900 36.230 1.00 0.00 H +ATOM 2491 CE2 TYR 156 45.280 38.290 35.180 1.00 0.00 C +ATOM 2492 HE2 TYR 156 44.898 37.968 34.224 1.00 0.00 H +ATOM 2493 C TYR 156 45.720 35.570 40.660 1.00 0.00 C +ATOM 2494 O TYR 156 44.590 35.660 41.200 1.00 0.00 O +ATOM 2495 N LYS 157 46.560 34.610 41.100 1.00 0.00 N +ATOM 2496 HN LYS 157 47.470 34.690 40.700 1.00 0.00 H +ATOM 2497 CA LYS 157 46.330 33.800 42.300 1.00 0.00 C +ATOM 2498 HA LYS 157 45.324 33.412 42.230 1.00 0.00 H +ATOM 2499 CB LYS 157 47.260 32.620 42.250 1.00 0.00 C +ATOM 2500 HB1 LYS 157 48.302 32.960 42.070 1.00 0.00 H +ATOM 2501 HB2 LYS 157 47.230 32.010 43.178 1.00 0.00 H +ATOM 2502 CG LYS 157 46.820 31.780 41.070 1.00 0.00 C +ATOM 2503 HG1 LYS 157 45.714 31.730 41.160 1.00 0.00 H +ATOM 2504 HG2 LYS 157 47.150 32.310 40.150 1.00 0.00 H +ATOM 2505 CD LYS 157 47.440 30.350 41.180 1.00 0.00 C +ATOM 2506 HD1 LYS 157 47.580 30.150 42.264 1.00 0.00 H +ATOM 2507 HD2 LYS 157 46.708 29.648 40.728 1.00 0.00 H +ATOM 2508 CE LYS 157 48.710 30.240 40.410 1.00 0.00 C +ATOM 2509 HE1 LYS 157 48.390 30.070 39.360 1.00 0.00 H +ATOM 2510 HE2 LYS 157 49.212 31.226 40.510 1.00 0.00 H +ATOM 2511 NZ LYS 157 49.620 29.190 40.850 1.00 0.00 N +ATOM 2512 HZ1 LYS 157 49.134 28.276 40.740 1.00 0.00 H +ATOM 2513 HZ2 LYS 157 50.508 29.140 40.312 1.00 0.00 H +ATOM 2514 HZ3 LYS 157 49.860 29.130 41.860 1.00 0.00 H +ATOM 2515 C LYS 157 46.380 34.510 43.630 1.00 0.00 C +ATOM 2516 O LYS 157 47.380 35.120 43.910 1.00 0.00 O +ATOM 2517 N VAL 158 45.230 34.630 44.340 1.00 0.00 N +ATOM 2518 HN VAL 158 44.364 34.302 43.972 1.00 0.00 H +ATOM 2519 CA VAL 158 45.210 35.220 45.700 1.00 0.00 C +ATOM 2520 HA VAL 158 45.700 36.182 45.720 1.00 0.00 H +ATOM 2521 CB VAL 158 43.810 35.500 46.130 1.00 0.00 C +ATOM 2522 HB VAL 158 43.094 34.666 45.962 1.00 0.00 H +ATOM 2523 CG1 VAL 158 43.660 35.860 47.620 1.00 0.00 C +ATOM 2524 1HG1 VAL 158 42.576 36.068 47.750 1.00 0.00 H +ATOM 2525 2HG1 VAL 158 43.880 35.060 48.360 1.00 0.00 H +ATOM 2526 3HG1 VAL 158 44.238 36.776 47.868 1.00 0.00 H +ATOM 2527 CG2 VAL 158 43.250 36.590 45.300 1.00 0.00 C +ATOM 2528 1HG2 VAL 158 43.662 37.594 45.540 1.00 0.00 H +ATOM 2529 2HG2 VAL 158 43.310 36.400 44.208 1.00 0.00 H +ATOM 2530 3HG2 VAL 158 42.200 36.740 45.630 1.00 0.00 H +ATOM 2531 C VAL 158 46.010 34.310 46.590 1.00 0.00 C +ATOM 2532 O VAL 158 45.540 33.230 46.850 1.00 0.00 O +ATOM 2533 N THR 159 47.160 34.710 47.110 1.00 0.00 N +ATOM 2534 HN THR 159 47.402 35.676 47.160 1.00 0.00 H +ATOM 2535 CA THR 159 48.040 33.820 47.860 1.00 0.00 C +ATOM 2536 HA THR 159 47.810 32.798 47.600 1.00 0.00 H +ATOM 2537 CB THR 159 49.500 34.180 47.590 1.00 0.00 C +ATOM 2538 HB THR 159 50.178 33.554 48.206 1.00 0.00 H +ATOM 2539 OG1 THR 159 49.870 35.550 47.900 1.00 0.00 O +ATOM 2540 HG1 THR 159 50.638 35.800 47.382 1.00 0.00 H +ATOM 2541 CG2 THR 159 49.830 33.900 46.140 1.00 0.00 C +ATOM 2542 1HG2 THR 159 49.790 32.852 45.770 1.00 0.00 H +ATOM 2543 2HG2 THR 159 49.440 34.550 45.328 1.00 0.00 H +ATOM 2544 3HG2 THR 159 50.898 34.202 46.100 1.00 0.00 H +ATOM 2545 C THR 159 47.900 33.980 49.350 1.00 0.00 C +ATOM 2546 O THR 159 48.770 33.580 50.160 1.00 0.00 O +ATOM 2547 N ASP 160 46.720 34.540 49.720 1.00 0.00 N +ATOM 2548 HN ASP 160 46.006 34.590 49.026 1.00 0.00 H +ATOM 2549 CA ASP 160 46.400 34.730 51.120 1.00 0.00 C +ATOM 2550 HA ASP 160 47.152 34.240 51.720 1.00 0.00 H +ATOM 2551 CB ASP 160 46.460 36.270 51.270 1.00 0.00 C +ATOM 2552 HB1 ASP 160 46.360 36.520 52.348 1.00 0.00 H +ATOM 2553 HB2 ASP 160 47.412 36.620 50.818 1.00 0.00 H +ATOM 2554 CG ASP 160 45.350 37.070 50.590 1.00 0.00 C +ATOM 2555 OD1 ASP 160 44.200 36.830 50.880 1.00 0.00 O +ATOM 2556 OD2 ASP 160 45.710 38.060 49.880 1.00 0.00 O +ATOM 2557 C ASP 160 45.090 34.070 51.560 1.00 0.00 C +ATOM 2558 O ASP 160 44.360 33.530 50.780 1.00 0.00 O +ATOM 2559 N GLY 161 44.970 33.950 52.890 1.00 0.00 N +ATOM 2560 HN GLY 161 45.696 34.298 53.478 1.00 0.00 H +ATOM 2561 CA GLY 161 43.740 33.510 53.490 1.00 0.00 C +ATOM 2562 HA1 GLY 161 43.318 32.788 52.808 1.00 0.00 H +ATOM 2563 HA2 GLY 161 44.088 33.102 54.428 1.00 0.00 H +ATOM 2564 C GLY 161 42.720 34.490 53.720 1.00 0.00 C +ATOM 2565 O GLY 161 41.810 34.250 54.460 1.00 0.00 O +ATOM 2566 N ASN 162 42.740 35.670 53.090 1.00 0.00 N +ATOM 2567 HN ASN 162 43.328 35.840 52.302 1.00 0.00 H +ATOM 2568 CA ASN 162 41.640 36.620 53.260 1.00 0.00 C +ATOM 2569 HA ASN 162 41.140 36.500 54.210 1.00 0.00 H +ATOM 2570 CB ASN 162 42.210 38.010 53.270 1.00 0.00 C +ATOM 2571 HB1 ASN 162 42.786 38.298 52.364 1.00 0.00 H +ATOM 2572 HB2 ASN 162 41.420 38.790 53.330 1.00 0.00 H +ATOM 2573 CG ASN 162 43.330 38.290 54.300 1.00 0.00 C +ATOM 2574 OD1 ASN 162 44.410 38.820 54.010 1.00 0.00 O +ATOM 2575 ND2 ASN 162 43.140 37.780 55.580 1.00 0.00 N +ATOM 2576 1HD2 ASN 162 42.258 37.370 55.810 1.00 0.00 H +ATOM 2577 2HD2 ASN 162 43.786 38.118 56.266 1.00 0.00 H +ATOM 2578 C ASN 162 40.470 36.590 52.250 1.00 0.00 C +ATOM 2579 O ASN 162 40.540 37.320 51.280 1.00 0.00 O +ATOM 2580 N GLY 163 39.450 35.700 52.450 1.00 0.00 N +ATOM 2581 HN GLY 163 39.530 34.940 53.090 1.00 0.00 H +ATOM 2582 CA GLY 163 38.200 35.820 51.820 1.00 0.00 C +ATOM 2583 HA1 GLY 163 38.370 35.980 50.764 1.00 0.00 H +ATOM 2584 HA2 GLY 163 37.616 34.944 52.062 1.00 0.00 H +ATOM 2585 C GLY 163 37.480 37.080 52.340 1.00 0.00 C +ATOM 2586 O GLY 163 37.630 37.500 53.450 1.00 0.00 O +ATOM 2587 N TYR 164 36.380 37.450 51.530 1.00 0.00 N +ATOM 2588 HN TYR 164 36.052 37.032 50.686 1.00 0.00 H +ATOM 2589 CA TYR 164 35.390 38.370 52.170 1.00 0.00 C +ATOM 2590 HA TYR 164 35.790 39.000 52.950 1.00 0.00 H +ATOM 2591 CB TYR 164 34.740 39.400 51.160 1.00 0.00 C +ATOM 2592 HB1 TYR 164 34.082 38.732 50.562 1.00 0.00 H +ATOM 2593 HB2 TYR 164 34.130 40.160 51.690 1.00 0.00 H +ATOM 2594 CG TYR 164 35.740 40.240 50.350 1.00 0.00 C +ATOM 2595 CD1 TYR 164 36.860 40.850 50.830 1.00 0.00 C +ATOM 2596 HD1 TYR 164 37.160 40.880 51.868 1.00 0.00 H +ATOM 2597 CE1 TYR 164 37.660 41.580 50.030 1.00 0.00 C +ATOM 2598 HE1 TYR 164 38.488 42.190 50.360 1.00 0.00 H +ATOM 2599 CZ TYR 164 37.410 41.720 48.640 1.00 0.00 C +ATOM 2600 OH TYR 164 38.260 42.490 47.840 1.00 0.00 O +ATOM 2601 HH TYR 164 37.940 42.560 46.938 1.00 0.00 H +ATOM 2602 CD2 TYR 164 35.420 40.360 48.980 1.00 0.00 C +ATOM 2603 HD2 TYR 164 34.480 39.930 48.670 1.00 0.00 H +ATOM 2604 CE2 TYR 164 36.280 41.140 48.160 1.00 0.00 C +ATOM 2605 HE2 TYR 164 36.090 41.160 47.098 1.00 0.00 H +ATOM 2606 C TYR 164 34.380 37.530 52.990 1.00 0.00 C +ATOM 2607 O TYR 164 33.240 37.330 52.630 1.00 0.00 O +ATOM 2608 N TRP 165 34.810 37.000 54.100 1.00 0.00 N +ATOM 2609 HN TRP 165 35.798 36.950 54.220 1.00 0.00 H +ATOM 2610 CA TRP 165 33.950 36.320 55.050 1.00 0.00 C +ATOM 2611 HA TRP 165 33.498 35.496 54.518 1.00 0.00 H +ATOM 2612 CB TRP 165 34.750 35.680 56.240 1.00 0.00 C +ATOM 2613 HB1 TRP 165 34.928 36.544 56.916 1.00 0.00 H +ATOM 2614 HB2 TRP 165 34.128 34.888 56.710 1.00 0.00 H +ATOM 2615 CG TRP 165 36.060 35.170 55.860 1.00 0.00 C +ATOM 2616 CD1 TRP 165 37.270 35.620 56.400 1.00 0.00 C +ATOM 2617 HD1 TRP 165 37.280 36.238 57.286 1.00 0.00 H +ATOM 2618 NE1 TRP 165 38.310 34.860 55.900 1.00 0.00 N +ATOM 2619 HE1 TRP 165 39.242 34.880 56.188 1.00 0.00 H +ATOM 2620 CE2 TRP 165 37.830 33.910 55.000 1.00 0.00 C +ATOM 2621 CD2 TRP 165 36.410 34.120 54.980 1.00 0.00 C +ATOM 2622 CE3 TRP 165 35.710 33.290 54.100 1.00 0.00 C +ATOM 2623 HE3 TRP 165 34.632 33.230 54.090 1.00 0.00 H +ATOM 2624 CZ3 TRP 165 36.350 32.200 53.410 1.00 0.00 C +ATOM 2625 HZ3 TRP 165 35.768 31.518 52.808 1.00 0.00 H +ATOM 2626 CZ2 TRP 165 38.460 32.850 54.410 1.00 0.00 C +ATOM 2627 HZ2 TRP 165 39.504 32.610 54.550 1.00 0.00 H +ATOM 2628 CH2 TRP 165 37.740 32.010 53.610 1.00 0.00 C +ATOM 2629 HH2 TRP 165 38.300 31.200 53.170 1.00 0.00 H +ATOM 2630 C TRP 165 32.900 37.300 55.660 1.00 0.00 C +ATOM 2631 O TRP 165 33.240 38.410 56.040 1.00 0.00 O +ATOM 2632 N ASN 166 31.580 36.920 55.780 1.00 0.00 N +ATOM 2633 HN ASN 166 31.350 35.980 55.540 1.00 0.00 H +ATOM 2634 CA ASN 166 30.360 37.730 56.050 1.00 0.00 C +ATOM 2635 HA ASN 166 29.528 37.280 55.530 1.00 0.00 H +ATOM 2636 CB ASN 166 30.030 37.930 57.580 1.00 0.00 C +ATOM 2637 HB1 ASN 166 30.822 38.422 58.182 1.00 0.00 H +ATOM 2638 HB2 ASN 166 29.082 38.510 57.570 1.00 0.00 H +ATOM 2639 CG ASN 166 29.760 36.610 58.180 1.00 0.00 C +ATOM 2640 OD1 ASN 166 30.390 36.210 59.120 1.00 0.00 O +ATOM 2641 ND2 ASN 166 28.740 35.970 57.620 1.00 0.00 N +ATOM 2642 1HD2 ASN 166 28.160 36.420 56.940 1.00 0.00 H +ATOM 2643 2HD2 ASN 166 28.690 34.972 57.660 1.00 0.00 H +ATOM 2644 C ASN 166 30.370 39.100 55.400 1.00 0.00 C +ATOM 2645 O ASN 166 30.240 40.110 56.060 1.00 0.00 O +ATOM 2646 N TRP 167 30.640 39.160 54.110 1.00 0.00 N +ATOM 2647 HN TRP 167 30.848 38.374 53.532 1.00 0.00 H +ATOM 2648 CA TRP 167 30.660 40.430 53.350 1.00 0.00 C +ATOM 2649 HA TRP 167 31.470 41.000 53.780 1.00 0.00 H +ATOM 2650 CB TRP 167 31.200 40.070 51.900 1.00 0.00 C +ATOM 2651 HB1 TRP 167 32.096 39.436 52.072 1.00 0.00 H +ATOM 2652 HB2 TRP 167 30.428 39.398 51.468 1.00 0.00 H +ATOM 2653 CG TRP 167 31.590 41.180 50.960 1.00 0.00 C +ATOM 2654 CD1 TRP 167 32.500 42.200 51.240 1.00 0.00 C +ATOM 2655 HD1 TRP 167 32.770 42.560 52.222 1.00 0.00 H +ATOM 2656 NE1 TRP 167 32.680 42.910 50.110 1.00 0.00 N +ATOM 2657 HE1 TRP 167 33.304 43.654 50.010 1.00 0.00 H +ATOM 2658 CE2 TRP 167 31.870 42.440 49.080 1.00 0.00 C +ATOM 2659 CD2 TRP 167 31.180 41.280 49.590 1.00 0.00 C +ATOM 2660 CE3 TRP 167 30.290 40.530 48.730 1.00 0.00 C +ATOM 2661 HE3 TRP 167 29.768 39.608 48.940 1.00 0.00 H +ATOM 2662 CZ3 TRP 167 30.140 41.000 47.420 1.00 0.00 C +ATOM 2663 HZ3 TRP 167 29.496 40.508 46.706 1.00 0.00 H +ATOM 2664 CZ2 TRP 167 31.770 42.820 47.730 1.00 0.00 C +ATOM 2665 HZ2 TRP 167 32.158 43.776 47.412 1.00 0.00 H +ATOM 2666 CH2 TRP 167 30.940 42.070 46.950 1.00 0.00 C +ATOM 2667 HH2 TRP 167 30.860 42.380 45.918 1.00 0.00 H +ATOM 2668 C TRP 167 29.360 41.150 53.250 1.00 0.00 C +ATOM 2669 O TRP 167 29.220 42.390 53.370 1.00 0.00 O +ATOM 2670 N LYS 168 28.290 40.370 53.130 1.00 0.00 N +ATOM 2671 HN LYS 168 28.492 39.414 52.928 1.00 0.00 H +ATOM 2672 CA LYS 168 26.940 40.940 53.060 1.00 0.00 C +ATOM 2673 HA LYS 168 26.940 41.954 53.432 1.00 0.00 H +ATOM 2674 CB LYS 168 26.310 40.860 51.660 1.00 0.00 C +ATOM 2675 HB1 LYS 168 26.072 39.784 51.510 1.00 0.00 H +ATOM 2676 HB2 LYS 168 25.440 41.550 51.670 1.00 0.00 H +ATOM 2677 CG LYS 168 27.130 41.360 50.530 1.00 0.00 C +ATOM 2678 HG1 LYS 168 28.174 40.982 50.510 1.00 0.00 H +ATOM 2679 HG2 LYS 168 26.620 41.260 49.548 1.00 0.00 H +ATOM 2680 CD LYS 168 27.290 42.920 50.690 1.00 0.00 C +ATOM 2681 HD1 LYS 168 26.256 43.308 50.560 1.00 0.00 H +ATOM 2682 HD2 LYS 168 27.490 43.120 51.766 1.00 0.00 H +ATOM 2683 CE LYS 168 28.370 43.630 49.840 1.00 0.00 C +ATOM 2684 HE1 LYS 168 29.368 43.520 50.318 1.00 0.00 H +ATOM 2685 HE2 LYS 168 28.540 43.128 48.864 1.00 0.00 H +ATOM 2686 NZ LYS 168 27.950 45.000 49.610 1.00 0.00 N +ATOM 2687 HZ1 LYS 168 26.968 44.980 49.270 1.00 0.00 H +ATOM 2688 HZ2 LYS 168 28.040 45.632 50.432 1.00 0.00 H +ATOM 2689 HZ3 LYS 168 28.480 45.490 48.860 1.00 0.00 H +ATOM 2690 C LYS 168 26.030 40.210 54.100 1.00 0.00 C +ATOM 2691 O LYS 168 26.640 39.630 54.950 1.00 0.00 O +ATOM 2692 N GLY 169 24.750 40.320 54.070 1.00 0.00 N +ATOM 2693 HN GLY 169 24.312 40.858 53.354 1.00 0.00 H +ATOM 2694 CA GLY 169 23.770 39.560 54.850 1.00 0.00 C +ATOM 2695 HA1 GLY 169 24.000 39.790 55.880 1.00 0.00 H +ATOM 2696 HA2 GLY 169 22.806 39.952 54.560 1.00 0.00 H +ATOM 2697 C GLY 169 23.740 38.100 54.820 1.00 0.00 C +ATOM 2698 O GLY 169 24.640 37.420 54.330 1.00 0.00 O +ATOM 2699 N THR 170 22.690 37.500 55.360 1.00 0.00 N +ATOM 2700 HN THR 170 22.040 38.190 55.670 1.00 0.00 H +ATOM 2701 CA THR 170 22.360 36.000 55.240 1.00 0.00 C +ATOM 2702 HA THR 170 23.352 35.578 55.190 1.00 0.00 H +ATOM 2703 CB THR 170 21.370 35.580 56.360 1.00 0.00 C +ATOM 2704 HB THR 170 21.200 34.488 56.240 1.00 0.00 H +ATOM 2705 OG1 THR 170 20.160 36.280 56.260 1.00 0.00 O +ATOM 2706 HG1 THR 170 19.790 36.120 57.130 1.00 0.00 H +ATOM 2707 CG2 THR 170 21.960 35.950 57.710 1.00 0.00 C +ATOM 2708 1HG2 THR 170 22.210 37.032 57.740 1.00 0.00 H +ATOM 2709 2HG2 THR 170 21.210 35.820 58.520 1.00 0.00 H +ATOM 2710 3HG2 THR 170 22.690 35.190 58.060 1.00 0.00 H +ATOM 2711 C THR 170 21.730 35.650 53.930 1.00 0.00 C +ATOM 2712 O THR 170 21.680 34.500 53.480 1.00 0.00 O +ATOM 2713 N ASN 171 21.110 36.720 53.330 1.00 0.00 N +ATOM 2714 HN ASN 171 21.070 37.570 53.850 1.00 0.00 H +ATOM 2715 CA ASN 171 20.300 36.640 52.140 1.00 0.00 C +ATOM 2716 HA ASN 171 19.752 35.714 52.250 1.00 0.00 H +ATOM 2717 CB ASN 171 19.260 37.840 51.940 1.00 0.00 C +ATOM 2718 HB1 ASN 171 18.398 37.810 52.642 1.00 0.00 H +ATOM 2719 HB2 ASN 171 19.880 38.760 51.910 1.00 0.00 H +ATOM 2720 CG ASN 171 18.640 37.920 50.510 1.00 0.00 C +ATOM 2721 OD1 ASN 171 19.100 38.820 49.790 1.00 0.00 O +ATOM 2722 ND2 ASN 171 17.750 36.930 50.150 1.00 0.00 N +ATOM 2723 1HD2 ASN 171 17.452 36.274 50.846 1.00 0.00 H +ATOM 2724 2HD2 ASN 171 17.238 37.040 49.298 1.00 0.00 H +ATOM 2725 C ASN 171 21.330 36.510 50.950 1.00 0.00 C +ATOM 2726 O ASN 171 22.140 37.380 50.760 1.00 0.00 O +ATOM 2727 N PRO 172 21.460 35.370 50.290 1.00 0.00 N +ATOM 2728 CD PRO 172 20.590 34.220 50.400 1.00 0.00 C +ATOM 2729 HD1 PRO 172 19.498 34.420 50.350 1.00 0.00 H +ATOM 2730 HD2 PRO 172 20.750 33.688 51.362 1.00 0.00 H +ATOM 2731 CA PRO 172 22.540 35.140 49.380 1.00 0.00 C +ATOM 2732 HA PRO 172 23.438 35.560 49.810 1.00 0.00 H +ATOM 2733 CB PRO 172 22.520 33.610 49.240 1.00 0.00 C +ATOM 2734 HB1 PRO 172 23.050 33.340 48.302 1.00 0.00 H +ATOM 2735 HB2 PRO 172 23.060 33.060 50.040 1.00 0.00 H +ATOM 2736 CG PRO 172 21.050 33.350 49.220 1.00 0.00 C +ATOM 2737 HG1 PRO 172 20.560 33.780 48.320 1.00 0.00 H +ATOM 2738 HG2 PRO 172 20.810 32.272 49.350 1.00 0.00 H +ATOM 2739 C PRO 172 22.380 35.890 48.110 1.00 0.00 C +ATOM 2740 O PRO 172 23.340 36.090 47.350 1.00 0.00 O +ATOM 2741 N GLU 173 21.170 36.430 47.830 1.00 0.00 N +ATOM 2742 HN GLU 173 20.392 36.150 48.388 1.00 0.00 H +ATOM 2743 CA GLU 173 20.880 37.380 46.770 1.00 0.00 C +ATOM 2744 HA GLU 173 21.100 36.852 45.854 1.00 0.00 H +ATOM 2745 CB GLU 173 19.370 37.780 46.670 1.00 0.00 C +ATOM 2746 HB1 GLU 173 19.150 38.180 47.682 1.00 0.00 H +ATOM 2747 HB2 GLU 173 19.192 38.694 46.064 1.00 0.00 H +ATOM 2748 CG GLU 173 18.420 36.600 46.340 1.00 0.00 C +ATOM 2749 HG1 GLU 173 18.440 36.270 45.280 1.00 0.00 H +ATOM 2750 HG2 GLU 173 18.640 35.778 47.052 1.00 0.00 H +ATOM 2751 CD GLU 173 17.020 37.100 46.590 1.00 0.00 C +ATOM 2752 OE1 GLU 173 16.400 36.300 47.360 1.00 0.00 O +ATOM 2753 OE2 GLU 173 16.540 38.120 46.100 1.00 0.00 O +ATOM 2754 C GLU 173 21.770 38.630 46.870 1.00 0.00 C +ATOM 2755 O GLU 173 22.070 39.200 45.860 1.00 0.00 O +ATOM 2756 N GLU 174 22.060 39.200 48.120 1.00 0.00 N +ATOM 2757 HN GLU 174 21.710 38.810 48.968 1.00 0.00 H +ATOM 2758 CA GLU 174 22.810 40.420 48.460 1.00 0.00 C +ATOM 2759 HA GLU 174 22.420 41.300 47.970 1.00 0.00 H +ATOM 2760 CB GLU 174 22.860 40.650 50.010 1.00 0.00 C +ATOM 2761 HB1 GLU 174 23.208 39.664 50.388 1.00 0.00 H +ATOM 2762 HB2 GLU 174 23.640 41.430 50.140 1.00 0.00 H +ATOM 2763 CG GLU 174 21.580 41.120 50.860 1.00 0.00 C +ATOM 2764 HG1 GLU 174 21.160 42.040 50.400 1.00 0.00 H +ATOM 2765 HG2 GLU 174 20.832 40.302 50.770 1.00 0.00 H +ATOM 2766 CD GLU 174 21.780 41.480 52.360 1.00 0.00 C +ATOM 2767 OE1 GLU 174 20.800 41.350 53.130 1.00 0.00 O +ATOM 2768 OE2 GLU 174 22.970 41.830 52.670 1.00 0.00 O +ATOM 2769 C GLU 174 24.210 40.100 47.900 1.00 0.00 C +ATOM 2770 O GLU 174 24.910 40.940 47.290 1.00 0.00 O +ATOM 2771 N TRP 175 24.720 38.920 48.090 1.00 0.00 N +ATOM 2772 HN TRP 175 24.148 38.198 48.472 1.00 0.00 H +ATOM 2773 CA TRP 175 26.020 38.540 47.640 1.00 0.00 C +ATOM 2774 HA TRP 175 26.712 39.292 47.990 1.00 0.00 H +ATOM 2775 CB TRP 175 26.550 37.140 48.200 1.00 0.00 C +ATOM 2776 HB1 TRP 175 25.850 36.340 47.880 1.00 0.00 H +ATOM 2777 HB2 TRP 175 27.486 36.842 47.682 1.00 0.00 H +ATOM 2778 CG TRP 175 26.890 37.090 49.660 1.00 0.00 C +ATOM 2779 CD1 TRP 175 25.950 37.030 50.730 1.00 0.00 C +ATOM 2780 HD1 TRP 175 24.884 37.110 50.580 1.00 0.00 H +ATOM 2781 NE1 TRP 175 26.680 37.010 51.950 1.00 0.00 N +ATOM 2782 HE1 TRP 175 26.280 36.880 52.830 1.00 0.00 H +ATOM 2783 CE2 TRP 175 28.000 36.890 51.690 1.00 0.00 C +ATOM 2784 CD2 TRP 175 28.110 36.930 50.260 1.00 0.00 C +ATOM 2785 CE3 TRP 175 29.390 36.750 49.750 1.00 0.00 C +ATOM 2786 HE3 TRP 175 29.620 36.850 48.700 1.00 0.00 H +ATOM 2787 CZ3 TRP 175 30.480 36.500 50.630 1.00 0.00 C +ATOM 2788 HZ3 TRP 175 31.476 36.340 50.242 1.00 0.00 H +ATOM 2789 CZ2 TRP 175 29.040 36.620 52.560 1.00 0.00 C +ATOM 2790 HZ2 TRP 175 28.880 36.440 53.612 1.00 0.00 H +ATOM 2791 CH2 TRP 175 30.330 36.450 52.060 1.00 0.00 C +ATOM 2792 HH2 TRP 175 31.242 36.280 52.612 1.00 0.00 H +ATOM 2793 C TRP 175 26.220 38.580 46.100 1.00 0.00 C +ATOM 2794 O TRP 175 27.210 39.180 45.620 1.00 0.00 O +ATOM 2795 N ILE 176 25.260 38.090 45.250 1.00 0.00 N +ATOM 2796 HN ILE 176 24.530 37.610 45.730 1.00 0.00 H +ATOM 2797 CA ILE 176 25.230 38.290 43.820 1.00 0.00 C +ATOM 2798 HA ILE 176 26.124 37.968 43.308 1.00 0.00 H +ATOM 2799 CB ILE 176 24.110 37.430 43.260 1.00 0.00 C +ATOM 2800 HB ILE 176 23.126 37.852 43.552 1.00 0.00 H +ATOM 2801 CG2 ILE 176 24.230 37.520 41.690 1.00 0.00 C +ATOM 2802 1HG2 ILE 176 24.100 38.552 41.300 1.00 0.00 H +ATOM 2803 2HG2 ILE 176 25.154 36.998 41.358 1.00 0.00 H +ATOM 2804 3HG2 ILE 176 23.368 36.968 41.258 1.00 0.00 H +ATOM 2805 CG1 ILE 176 24.190 35.960 43.690 1.00 0.00 C +ATOM 2806 1HG1 ILE 176 25.110 35.480 43.290 1.00 0.00 H +ATOM 2807 2HG1 ILE 176 24.090 35.910 44.794 1.00 0.00 H +ATOM 2808 CD ILE 176 23.150 34.960 43.010 1.00 0.00 C +ATOM 2809 HD1 ILE 176 23.170 33.876 43.250 1.00 0.00 H +ATOM 2810 HD2 ILE 176 22.196 35.522 43.110 1.00 0.00 H +ATOM 2811 HD3 ILE 176 23.390 34.800 41.938 1.00 0.00 H +ATOM 2812 C ILE 176 25.010 39.790 43.520 1.00 0.00 C +ATOM 2813 O ILE 176 25.850 40.290 42.740 1.00 0.00 O +ATOM 2814 N HIS 177 24.090 40.490 44.230 1.00 0.00 N +ATOM 2815 HN HIS 177 23.340 40.010 44.680 1.00 0.00 H +ATOM 2816 CA HIS 177 23.950 41.970 43.950 1.00 0.00 C +ATOM 2817 HA HIS 177 23.770 42.090 42.892 1.00 0.00 H +ATOM 2818 CB HIS 177 22.700 42.550 44.700 1.00 0.00 C +ATOM 2819 HB1 HIS 177 21.790 41.950 44.480 1.00 0.00 H +ATOM 2820 HB2 HIS 177 22.800 42.440 45.800 1.00 0.00 H +ATOM 2821 ND1 HIS 177 21.650 44.400 43.410 1.00 0.00 N +ATOM 2822 HD1 HIS 177 21.218 43.748 42.788 1.00 0.00 H +ATOM 2823 CG HIS 177 22.420 43.960 44.430 1.00 0.00 C +ATOM 2824 CE1 HIS 177 21.440 45.720 43.560 1.00 0.00 C +ATOM 2825 HE1 HIS 177 20.756 46.236 42.886 1.00 0.00 H +ATOM 2826 NE2 HIS 177 22.100 46.200 44.610 1.00 0.00 N +ATOM 2827 CD2 HIS 177 22.720 45.070 45.140 1.00 0.00 C +ATOM 2828 HD2 HIS 177 23.324 45.160 46.034 1.00 0.00 H +ATOM 2829 C HIS 177 25.200 42.810 44.200 1.00 0.00 C +ATOM 2830 O HIS 177 25.460 43.810 43.450 1.00 0.00 O +ATOM 2831 N GLY 178 25.940 42.420 45.260 1.00 0.00 N +ATOM 2832 HN GLY 178 25.658 41.714 45.904 1.00 0.00 H +ATOM 2833 CA GLY 178 27.170 43.120 45.660 1.00 0.00 C +ATOM 2834 HA1 GLY 178 26.872 44.144 45.830 1.00 0.00 H +ATOM 2835 HA2 GLY 178 27.460 42.700 46.612 1.00 0.00 H +ATOM 2836 C GLY 178 28.310 42.960 44.690 1.00 0.00 C +ATOM 2837 O GLY 178 29.000 43.950 44.340 1.00 0.00 O +ATOM 2838 N ALA 179 28.510 41.740 44.250 1.00 0.00 N +ATOM 2839 HN ALA 179 27.910 41.070 44.680 1.00 0.00 H +ATOM 2840 CA ALA 179 29.470 41.330 43.200 1.00 0.00 C +ATOM 2841 HA ALA 179 30.460 41.640 43.500 1.00 0.00 H +ATOM 2842 CB ALA 179 29.450 39.840 42.840 1.00 0.00 C +ATOM 2843 HB1 ALA 179 29.936 39.662 41.856 1.00 0.00 H +ATOM 2844 HB2 ALA 179 29.980 39.360 43.690 1.00 0.00 H +ATOM 2845 HB3 ALA 179 28.446 39.368 42.900 1.00 0.00 H +ATOM 2846 C ALA 179 29.250 42.140 41.940 1.00 0.00 C +ATOM 2847 O ALA 179 30.130 42.800 41.520 1.00 0.00 O +ATOM 2848 N ALA 180 28.020 42.110 41.380 1.00 0.00 N +ATOM 2849 HN ALA 180 27.288 41.690 41.910 1.00 0.00 H +ATOM 2850 CA ALA 180 27.560 42.750 40.230 1.00 0.00 C +ATOM 2851 HA ALA 180 28.064 42.288 39.394 1.00 0.00 H +ATOM 2852 CB ALA 180 26.060 42.510 40.160 1.00 0.00 C +ATOM 2853 HB1 ALA 180 25.690 42.750 39.140 1.00 0.00 H +ATOM 2854 HB2 ALA 180 25.782 41.474 40.448 1.00 0.00 H +ATOM 2855 HB3 ALA 180 25.488 43.232 40.782 1.00 0.00 H +ATOM 2856 C ALA 180 27.770 44.260 40.270 1.00 0.00 C +ATOM 2857 O ALA 180 28.260 44.840 39.370 1.00 0.00 O +ATOM 2858 N VAL 181 27.380 44.840 41.390 1.00 0.00 N +ATOM 2859 HN VAL 181 26.908 44.388 42.142 1.00 0.00 H +ATOM 2860 CA VAL 181 27.640 46.270 41.600 1.00 0.00 C +ATOM 2861 HA VAL 181 27.072 46.778 40.834 1.00 0.00 H +ATOM 2862 CB VAL 181 27.150 46.750 42.980 1.00 0.00 C +ATOM 2863 HB VAL 181 27.510 46.032 43.748 1.00 0.00 H +ATOM 2864 CG1 VAL 181 27.790 48.150 43.330 1.00 0.00 C +ATOM 2865 1HG1 VAL 181 28.822 48.060 43.730 1.00 0.00 H +ATOM 2866 2HG1 VAL 181 27.700 48.728 42.384 1.00 0.00 H +ATOM 2867 3HG1 VAL 181 27.148 48.732 44.024 1.00 0.00 H +ATOM 2868 CG2 VAL 181 25.670 46.970 42.900 1.00 0.00 C +ATOM 2869 1HG2 VAL 181 25.330 47.698 42.132 1.00 0.00 H +ATOM 2870 2HG2 VAL 181 25.170 46.058 42.510 1.00 0.00 H +ATOM 2871 3HG2 VAL 181 25.270 47.340 43.868 1.00 0.00 H +ATOM 2872 C VAL 181 29.070 46.670 41.440 1.00 0.00 C +ATOM 2873 O VAL 181 29.390 47.510 40.600 1.00 0.00 O +ATOM 2874 N VAL 182 30.060 45.990 42.130 1.00 0.00 N +ATOM 2875 HN VAL 182 29.702 45.332 42.788 1.00 0.00 H +ATOM 2876 CA VAL 182 31.490 46.120 42.010 1.00 0.00 C +ATOM 2877 HA VAL 182 31.610 47.176 42.200 1.00 0.00 H +ATOM 2878 CB VAL 182 32.290 45.420 43.200 1.00 0.00 C +ATOM 2879 HB VAL 182 32.270 44.318 43.070 1.00 0.00 H +ATOM 2880 CG1 VAL 182 33.720 46.000 43.150 1.00 0.00 C +ATOM 2881 1HG1 VAL 182 34.220 46.030 42.158 1.00 0.00 H +ATOM 2882 2HG1 VAL 182 33.490 47.074 43.310 1.00 0.00 H +ATOM 2883 3HG1 VAL 182 34.358 45.582 43.958 1.00 0.00 H +ATOM 2884 CG2 VAL 182 31.670 45.800 44.520 1.00 0.00 C +ATOM 2885 1HG2 VAL 182 32.442 45.530 45.272 1.00 0.00 H +ATOM 2886 2HG2 VAL 182 31.400 46.878 44.480 1.00 0.00 H +ATOM 2887 3HG2 VAL 182 30.754 45.242 44.808 1.00 0.00 H +ATOM 2888 C VAL 182 31.990 45.790 40.640 1.00 0.00 C +ATOM 2889 O VAL 182 32.830 46.450 40.070 1.00 0.00 O +ATOM 2890 N ALA 183 31.540 44.750 39.960 1.00 0.00 N +ATOM 2891 HN ALA 183 30.892 44.082 40.318 1.00 0.00 H +ATOM 2892 CA ALA 183 31.810 44.540 38.570 1.00 0.00 C +ATOM 2893 HA ALA 183 32.884 44.570 38.450 1.00 0.00 H +ATOM 2894 CB ALA 183 31.200 43.230 38.270 1.00 0.00 C +ATOM 2895 HB1 ALA 183 30.098 43.270 38.130 1.00 0.00 H +ATOM 2896 HB2 ALA 183 31.666 42.844 37.338 1.00 0.00 H +ATOM 2897 HB3 ALA 183 31.410 42.448 39.032 1.00 0.00 H +ATOM 2898 C ALA 183 31.320 45.600 37.590 1.00 0.00 C +ATOM 2899 O ALA 183 32.070 46.070 36.740 1.00 0.00 O +ATOM 2900 N LYS 184 30.110 46.060 37.750 1.00 0.00 N +ATOM 2901 HN LYS 184 29.568 45.790 38.542 1.00 0.00 H +ATOM 2902 CA LYS 184 29.560 47.120 36.940 1.00 0.00 C +ATOM 2903 HA LYS 184 29.680 46.648 35.976 1.00 0.00 H +ATOM 2904 CB LYS 184 28.080 47.390 37.060 1.00 0.00 C +ATOM 2905 HB1 LYS 184 27.610 46.390 36.950 1.00 0.00 H +ATOM 2906 HB2 LYS 184 27.780 47.750 38.068 1.00 0.00 H +ATOM 2907 CG LYS 184 27.460 48.370 36.010 1.00 0.00 C +ATOM 2908 HG1 LYS 184 27.610 49.410 36.370 1.00 0.00 H +ATOM 2909 HG2 LYS 184 27.912 48.300 34.998 1.00 0.00 H +ATOM 2910 CD LYS 184 25.910 48.110 35.760 1.00 0.00 C +ATOM 2911 HD1 LYS 184 25.840 47.028 35.520 1.00 0.00 H +ATOM 2912 HD2 LYS 184 25.430 48.250 36.752 1.00 0.00 H +ATOM 2913 CE LYS 184 25.290 48.990 34.640 1.00 0.00 C +ATOM 2914 HE1 LYS 184 25.700 50.018 34.730 1.00 0.00 H +ATOM 2915 HE2 LYS 184 25.520 48.692 33.594 1.00 0.00 H +ATOM 2916 NZ LYS 184 23.850 49.190 34.850 1.00 0.00 N +ATOM 2917 HZ1 LYS 184 23.522 49.858 34.122 1.00 0.00 H +ATOM 2918 HZ2 LYS 184 23.258 48.336 34.800 1.00 0.00 H +ATOM 2919 HZ3 LYS 184 23.690 49.588 35.798 1.00 0.00 H +ATOM 2920 C LYS 184 30.350 48.450 36.970 1.00 0.00 C +ATOM 2921 O LYS 184 30.660 49.090 35.990 1.00 0.00 O +ATOM 2922 N GLN 185 30.850 48.780 38.120 1.00 0.00 N +ATOM 2923 HN GLN 185 30.580 48.198 38.882 1.00 0.00 H +ATOM 2924 CA GLN 185 31.740 49.890 38.300 1.00 0.00 C +ATOM 2925 HA GLN 185 31.198 50.702 37.838 1.00 0.00 H +ATOM 2926 CB GLN 185 31.910 50.030 39.840 1.00 0.00 C +ATOM 2927 HB1 GLN 185 32.220 49.100 40.360 1.00 0.00 H +ATOM 2928 HB2 GLN 185 32.728 50.748 40.070 1.00 0.00 H +ATOM 2929 CG GLN 185 30.710 50.640 40.540 1.00 0.00 C +ATOM 2930 HG1 GLN 185 30.610 51.682 40.170 1.00 0.00 H +ATOM 2931 HG2 GLN 185 29.680 50.240 40.420 1.00 0.00 H +ATOM 2932 CD GLN 185 30.870 50.570 42.100 1.00 0.00 C +ATOM 2933 OE1 GLN 185 31.950 50.130 42.680 1.00 0.00 O +ATOM 2934 NE2 GLN 185 29.840 51.030 42.870 1.00 0.00 N +ATOM 2935 1HE2 GLN 185 28.986 51.218 42.384 1.00 0.00 H +ATOM 2936 2HE2 GLN 185 29.970 51.240 43.838 1.00 0.00 H +ATOM 2937 C GLN 185 33.110 49.870 37.560 1.00 0.00 C +ATOM 2938 O GLN 185 33.620 50.870 37.000 1.00 0.00 O +ATOM 2939 N ASP 186 33.600 48.660 37.460 1.00 0.00 N +ATOM 2940 HN ASP 186 33.132 47.902 37.908 1.00 0.00 H +ATOM 2941 CA ASP 186 34.810 48.300 36.750 1.00 0.00 C +ATOM 2942 HA ASP 186 35.538 49.098 36.760 1.00 0.00 H +ATOM 2943 CB ASP 186 35.370 47.010 37.470 1.00 0.00 C +ATOM 2944 HB1 ASP 186 34.584 46.234 37.590 1.00 0.00 H +ATOM 2945 HB2 ASP 186 36.118 46.492 36.832 1.00 0.00 H +ATOM 2946 CG ASP 186 35.930 47.230 38.810 1.00 0.00 C +ATOM 2947 OD1 ASP 186 36.280 48.360 39.170 1.00 0.00 O +ATOM 2948 OD2 ASP 186 36.090 46.230 39.610 1.00 0.00 O +ATOM 2949 C ASP 186 34.570 48.000 35.260 1.00 0.00 C +ATOM 2950 O ASP 186 35.440 47.750 34.490 1.00 0.00 O +ATOM 2951 N TYR 187 33.330 48.070 34.720 1.00 0.00 N +ATOM 2952 HN TYR 187 32.604 48.528 35.228 1.00 0.00 H +ATOM 2953 CA TYR 187 32.920 47.760 33.340 1.00 0.00 C +ATOM 2954 HA TYR 187 33.220 46.730 33.210 1.00 0.00 H +ATOM 2955 CB TYR 187 31.380 47.920 33.070 1.00 0.00 C +ATOM 2956 HB1 TYR 187 30.786 47.104 33.534 1.00 0.00 H +ATOM 2957 HB2 TYR 187 31.120 48.902 33.520 1.00 0.00 H +ATOM 2958 CG TYR 187 30.930 47.920 31.620 1.00 0.00 C +ATOM 2959 CD1 TYR 187 30.620 46.680 31.040 1.00 0.00 C +ATOM 2960 HD1 TYR 187 31.000 45.752 31.440 1.00 0.00 H +ATOM 2961 CE1 TYR 187 30.010 46.580 29.800 1.00 0.00 C +ATOM 2962 HE1 TYR 187 29.890 45.626 29.308 1.00 0.00 H +ATOM 2963 CZ TYR 187 29.670 47.780 29.150 1.00 0.00 C +ATOM 2964 OH TYR 187 28.910 47.670 27.950 1.00 0.00 O +ATOM 2965 HH TYR 187 29.058 48.502 27.494 1.00 0.00 H +ATOM 2966 CD2 TYR 187 30.540 49.050 30.970 1.00 0.00 C +ATOM 2967 HD2 TYR 187 30.580 50.022 31.440 1.00 0.00 H +ATOM 2968 CE2 TYR 187 29.920 49.030 29.760 1.00 0.00 C +ATOM 2969 HE2 TYR 187 29.692 49.946 29.232 1.00 0.00 H +ATOM 2970 C TYR 187 33.730 48.500 32.310 1.00 0.00 C +ATOM 2971 O TYR 187 34.220 47.890 31.350 1.00 0.00 O +ATOM 2972 N SER 188 33.920 49.780 32.530 1.00 0.00 N +ATOM 2973 HN SER 188 33.382 50.040 33.328 1.00 0.00 H +ATOM 2974 CA SER 188 34.630 50.670 31.670 1.00 0.00 C +ATOM 2975 HA SER 188 34.290 50.580 30.650 1.00 0.00 H +ATOM 2976 CB SER 188 34.570 52.200 32.110 1.00 0.00 C +ATOM 2977 HB1 SER 188 35.416 52.766 31.662 1.00 0.00 H +ATOM 2978 HB2 SER 188 33.588 52.650 31.850 1.00 0.00 H +ATOM 2979 OG SER 188 34.680 52.310 33.560 1.00 0.00 O +ATOM 2980 HG1 SER 188 33.832 52.040 33.920 1.00 0.00 H +ATOM 2981 C SER 188 36.140 50.440 31.540 1.00 0.00 C +ATOM 2982 O SER 188 36.780 50.820 30.560 1.00 0.00 O +ATOM 2983 N GLY 189 36.720 49.710 32.540 1.00 0.00 N +ATOM 2984 HN GLY 189 36.108 49.358 33.244 1.00 0.00 H +ATOM 2985 CA GLY 189 38.030 49.150 32.460 1.00 0.00 C +ATOM 2986 HA1 GLY 189 38.672 49.992 32.250 1.00 0.00 H +ATOM 2987 HA2 GLY 189 38.210 48.698 33.424 1.00 0.00 H +ATOM 2988 C GLY 189 38.250 48.050 31.460 1.00 0.00 C +ATOM 2989 O GLY 189 39.400 47.700 31.240 1.00 0.00 O +ATOM 2990 N ILE 190 37.230 47.510 30.820 1.00 0.00 N +ATOM 2991 HN ILE 190 36.332 47.840 31.100 1.00 0.00 H +ATOM 2992 CA ILE 190 37.210 46.490 29.810 1.00 0.00 C +ATOM 2993 HA ILE 190 38.236 46.228 29.598 1.00 0.00 H +ATOM 2994 CB ILE 190 36.390 45.310 30.160 1.00 0.00 C +ATOM 2995 HB ILE 190 35.324 45.590 30.300 1.00 0.00 H +ATOM 2996 CG2 ILE 190 36.410 44.260 29.070 1.00 0.00 C +ATOM 2997 1HG2 ILE 190 36.230 44.702 28.066 1.00 0.00 H +ATOM 2998 2HG2 ILE 190 37.418 43.792 29.050 1.00 0.00 H +ATOM 2999 3HG2 ILE 190 35.610 43.490 29.090 1.00 0.00 H +ATOM 3000 CG1 ILE 190 36.900 44.700 31.530 1.00 0.00 C +ATOM 3001 1HG1 ILE 190 37.910 44.280 31.330 1.00 0.00 H +ATOM 3002 2HG1 ILE 190 37.040 45.464 32.324 1.00 0.00 H +ATOM 3003 CD ILE 190 36.110 43.570 32.050 1.00 0.00 C +ATOM 3004 HD1 ILE 190 36.150 42.710 31.350 1.00 0.00 H +ATOM 3005 HD2 ILE 190 36.660 43.220 32.950 1.00 0.00 H +ATOM 3006 HD3 ILE 190 35.092 43.960 32.270 1.00 0.00 H +ATOM 3007 C ILE 190 36.700 47.120 28.560 1.00 0.00 C +ATOM 3008 O ILE 190 37.430 47.230 27.530 1.00 0.00 O +ATOM 3009 N VAL 191 35.430 47.550 28.590 1.00 0.00 N +ATOM 3010 HN VAL 191 35.000 47.540 29.490 1.00 0.00 H +ATOM 3011 CA VAL 191 34.710 48.090 27.460 1.00 0.00 C +ATOM 3012 HA VAL 191 35.022 47.778 26.474 1.00 0.00 H +ATOM 3013 CB VAL 191 33.210 47.700 27.430 1.00 0.00 C +ATOM 3014 HB VAL 191 32.710 47.960 28.388 1.00 0.00 H +ATOM 3015 CG1 VAL 191 32.390 48.350 26.310 1.00 0.00 C +ATOM 3016 1HG1 VAL 191 32.270 49.454 26.370 1.00 0.00 H +ATOM 3017 2HG1 VAL 191 32.800 48.150 25.298 1.00 0.00 H +ATOM 3018 3HG1 VAL 191 31.348 47.970 26.360 1.00 0.00 H +ATOM 3019 CG2 VAL 191 33.090 46.160 27.260 1.00 0.00 C +ATOM 3020 1HG2 VAL 191 33.290 45.820 26.222 1.00 0.00 H +ATOM 3021 2HG2 VAL 191 33.706 45.574 27.976 1.00 0.00 H +ATOM 3022 3HG2 VAL 191 32.028 45.890 27.440 1.00 0.00 H +ATOM 3023 C VAL 191 34.710 49.630 27.430 1.00 0.00 C +ATOM 3024 O VAL 191 34.240 50.280 28.360 1.00 0.00 O +ATOM 3025 N ASN 192 35.320 50.210 26.390 1.00 0.00 N +ATOM 3026 HN ASN 192 35.892 49.718 25.738 1.00 0.00 H +ATOM 3027 CA ASN 192 35.400 51.620 26.210 1.00 0.00 C +ATOM 3028 HA ASN 192 34.402 52.028 26.280 1.00 0.00 H +ATOM 3029 CB ASN 192 36.210 52.260 27.260 1.00 0.00 C +ATOM 3030 HB1 ASN 192 36.090 53.364 27.270 1.00 0.00 H +ATOM 3031 HB2 ASN 192 35.880 52.000 28.288 1.00 0.00 H +ATOM 3032 CG ASN 192 37.760 52.000 27.250 1.00 0.00 C +ATOM 3033 OD1 ASN 192 38.570 52.870 26.890 1.00 0.00 O +ATOM 3034 ND2 ASN 192 38.080 50.750 27.680 1.00 0.00 N +ATOM 3035 1HD2 ASN 192 37.340 50.310 28.190 1.00 0.00 H +ATOM 3036 2HD2 ASN 192 39.038 50.490 27.550 1.00 0.00 H +ATOM 3037 C ASN 192 35.910 51.910 24.770 1.00 0.00 C +ATOM 3038 O ASN 192 36.350 50.950 24.040 1.00 0.00 O +ATOM 3039 N ASP 193 35.810 53.180 24.260 1.00 0.00 N +ATOM 3040 HN ASP 193 35.342 53.846 24.836 1.00 0.00 H +ATOM 3041 CA ASP 193 35.920 53.450 22.790 1.00 0.00 C +ATOM 3042 HA ASP 193 35.238 52.838 22.218 1.00 0.00 H +ATOM 3043 CB ASP 193 35.810 55.010 22.480 1.00 0.00 C +ATOM 3044 HB1 ASP 193 36.470 55.580 23.170 1.00 0.00 H +ATOM 3045 HB2 ASP 193 35.850 55.150 21.378 1.00 0.00 H +ATOM 3046 CG ASP 193 34.300 55.460 22.710 1.00 0.00 C +ATOM 3047 OD1 ASP 193 33.330 54.690 22.480 1.00 0.00 O +ATOM 3048 OD2 ASP 193 34.160 56.670 22.850 1.00 0.00 O +ATOM 3049 C ASP 193 37.250 53.020 22.230 1.00 0.00 C +ATOM 3050 O ASP 193 37.320 52.540 21.090 1.00 0.00 O +ATOM 3051 N ASN 194 38.370 53.240 22.970 1.00 0.00 N +ATOM 3052 HN ASN 194 38.470 53.856 23.746 1.00 0.00 H +ATOM 3053 CA ASN 194 39.620 52.590 22.560 1.00 0.00 C +ATOM 3054 HA ASN 194 39.680 52.910 21.530 1.00 0.00 H +ATOM 3055 CB ASN 194 40.790 53.000 23.440 1.00 0.00 C +ATOM 3056 HB1 ASN 194 40.512 52.782 24.494 1.00 0.00 H +ATOM 3057 HB2 ASN 194 41.722 52.470 23.150 1.00 0.00 H +ATOM 3058 CG ASN 194 41.130 54.440 23.410 1.00 0.00 C +ATOM 3059 OD1 ASN 194 41.420 55.030 24.480 1.00 0.00 O +ATOM 3060 ND2 ASN 194 41.100 55.130 22.250 1.00 0.00 N +ATOM 3061 1HD2 ASN 194 40.950 54.750 21.338 1.00 0.00 H +ATOM 3062 2HD2 ASN 194 41.312 56.096 22.400 1.00 0.00 H +ATOM 3063 C ASN 194 39.660 51.010 22.480 1.00 0.00 C +ATOM 3064 O ASN 194 40.100 50.470 21.470 1.00 0.00 O +ATOM 3065 N THR 195 39.240 50.330 23.510 1.00 0.00 N +ATOM 3066 HN THR 195 38.788 50.802 24.262 1.00 0.00 H +ATOM 3067 CA THR 195 39.150 48.870 23.380 1.00 0.00 C +ATOM 3068 HA THR 195 40.154 48.508 23.220 1.00 0.00 H +ATOM 3069 CB THR 195 38.850 48.100 24.630 1.00 0.00 C +ATOM 3070 HB THR 195 38.760 47.008 24.450 1.00 0.00 H +ATOM 3071 OG1 THR 195 37.660 48.520 25.190 1.00 0.00 O +ATOM 3072 HG1 THR 195 37.580 48.080 26.040 1.00 0.00 H +ATOM 3073 CG2 THR 195 39.870 48.460 25.720 1.00 0.00 C +ATOM 3074 1HG2 THR 195 39.760 49.518 26.040 1.00 0.00 H +ATOM 3075 2HG2 THR 195 39.572 47.884 26.624 1.00 0.00 H +ATOM 3076 3HG2 THR 195 40.922 48.290 25.410 1.00 0.00 H +ATOM 3077 C THR 195 38.280 48.330 22.250 1.00 0.00 C +ATOM 3078 O THR 195 38.600 47.390 21.570 1.00 0.00 O +ATOM 3079 N LYS 196 37.080 49.030 22.000 1.00 0.00 N +ATOM 3080 HN LYS 196 36.910 49.862 22.522 1.00 0.00 H +ATOM 3081 CA LYS 196 36.130 48.780 20.910 1.00 0.00 C +ATOM 3082 HA LYS 196 35.712 47.784 20.960 1.00 0.00 H +ATOM 3083 CB LYS 196 34.850 49.620 20.940 1.00 0.00 C +ATOM 3084 HB1 LYS 196 35.132 50.694 20.900 1.00 0.00 H +ATOM 3085 HB2 LYS 196 34.268 49.420 20.016 1.00 0.00 H +ATOM 3086 CG LYS 196 33.980 49.370 22.090 1.00 0.00 C +ATOM 3087 HG1 LYS 196 33.840 48.270 22.150 1.00 0.00 H +ATOM 3088 HG2 LYS 196 34.500 49.610 23.042 1.00 0.00 H +ATOM 3089 CD LYS 196 32.700 50.210 22.110 1.00 0.00 C +ATOM 3090 HD1 LYS 196 33.032 51.234 21.838 1.00 0.00 H +ATOM 3091 HD2 LYS 196 32.018 49.938 21.276 1.00 0.00 H +ATOM 3092 CE LYS 196 31.990 50.120 23.430 1.00 0.00 C +ATOM 3093 HE1 LYS 196 31.728 49.052 23.592 1.00 0.00 H +ATOM 3094 HE2 LYS 196 32.530 50.620 24.262 1.00 0.00 H +ATOM 3095 NZ LYS 196 30.780 50.940 23.270 1.00 0.00 N +ATOM 3096 HZ1 LYS 196 30.540 51.360 22.350 1.00 0.00 H +ATOM 3097 HZ2 LYS 196 30.058 50.218 23.460 1.00 0.00 H +ATOM 3098 HZ3 LYS 196 30.790 51.710 23.970 1.00 0.00 H +ATOM 3099 C LYS 196 36.790 48.940 19.510 1.00 0.00 C +ATOM 3100 O LYS 196 36.610 48.130 18.670 1.00 0.00 O +ATOM 3101 N ASP 197 37.520 50.040 19.300 1.00 0.00 N +ATOM 3102 HN ASP 197 37.610 50.686 20.054 1.00 0.00 H +ATOM 3103 CA ASP 197 38.200 50.280 18.000 1.00 0.00 C +ATOM 3104 HA ASP 197 37.472 50.110 17.222 1.00 0.00 H +ATOM 3105 CB ASP 197 38.600 51.780 18.220 1.00 0.00 C +ATOM 3106 HB1 ASP 197 37.640 52.300 18.420 1.00 0.00 H +ATOM 3107 HB2 ASP 197 39.334 51.960 19.034 1.00 0.00 H +ATOM 3108 CG ASP 197 39.210 52.380 16.990 1.00 0.00 C +ATOM 3109 OD1 ASP 197 38.780 52.080 15.820 1.00 0.00 O +ATOM 3110 OD2 ASP 197 40.140 53.280 17.080 1.00 0.00 O +ATOM 3111 C ASP 197 39.400 49.430 17.820 1.00 0.00 C +ATOM 3112 O ASP 197 39.570 48.890 16.700 1.00 0.00 O +ATOM 3113 N TRP 198 40.190 49.190 18.910 1.00 0.00 N +ATOM 3114 HN TRP 198 39.960 49.490 19.832 1.00 0.00 H +ATOM 3115 CA TRP 198 41.410 48.290 18.840 1.00 0.00 C +ATOM 3116 HA TRP 198 41.960 48.490 17.932 1.00 0.00 H +ATOM 3117 CB TRP 198 42.420 48.540 20.010 1.00 0.00 C +ATOM 3118 HB1 TRP 198 42.002 48.182 20.976 1.00 0.00 H +ATOM 3119 HB2 TRP 198 43.348 47.950 19.850 1.00 0.00 H +ATOM 3120 CG TRP 198 42.850 49.970 20.210 1.00 0.00 C +ATOM 3121 CD1 TRP 198 42.970 51.010 19.330 1.00 0.00 C +ATOM 3122 HD1 TRP 198 42.460 50.980 18.378 1.00 0.00 H +ATOM 3123 NE1 TRP 198 43.610 52.110 20.030 1.00 0.00 N +ATOM 3124 HE1 TRP 198 44.052 52.854 19.578 1.00 0.00 H +ATOM 3125 CE2 TRP 198 43.920 51.720 21.350 1.00 0.00 C +ATOM 3126 CD2 TRP 198 43.440 50.400 21.460 1.00 0.00 C +ATOM 3127 CE3 TRP 198 43.550 49.790 22.720 1.00 0.00 C +ATOM 3128 HE3 TRP 198 43.210 48.770 22.810 1.00 0.00 H +ATOM 3129 CZ3 TRP 198 44.180 50.460 23.780 1.00 0.00 C +ATOM 3130 HZ3 TRP 198 44.390 50.030 24.748 1.00 0.00 H +ATOM 3131 CZ2 TRP 198 44.470 52.410 22.410 1.00 0.00 C +ATOM 3132 HZ2 TRP 198 44.850 53.418 22.340 1.00 0.00 H +ATOM 3133 CH2 TRP 198 44.620 51.760 23.600 1.00 0.00 C +ATOM 3134 HH2 TRP 198 44.958 52.238 24.508 1.00 0.00 H +ATOM 3135 C TRP 198 41.060 46.870 18.550 1.00 0.00 C +ATOM 3136 O TRP 198 41.740 46.150 17.760 1.00 0.00 O +ATOM 3137 N PHE 199 39.920 46.390 19.120 1.00 0.00 N +ATOM 3138 HN PHE 199 39.392 46.948 19.756 1.00 0.00 H +ATOM 3139 CA PHE 199 39.330 45.130 18.770 1.00 0.00 C +ATOM 3140 HA PHE 199 40.018 44.342 19.040 1.00 0.00 H +ATOM 3141 CB PHE 199 38.090 44.770 19.610 1.00 0.00 C +ATOM 3142 HB1 PHE 199 38.390 44.820 20.678 1.00 0.00 H +ATOM 3143 HB2 PHE 199 37.340 45.570 19.440 1.00 0.00 H +ATOM 3144 CG PHE 199 37.510 43.400 19.320 1.00 0.00 C +ATOM 3145 CD1 PHE 199 38.200 42.340 19.920 1.00 0.00 C +ATOM 3146 HD1 PHE 199 39.132 42.400 20.462 1.00 0.00 H +ATOM 3147 CE1 PHE 199 37.660 40.980 19.710 1.00 0.00 C +ATOM 3148 HE1 PHE 199 38.020 40.118 20.252 1.00 0.00 H +ATOM 3149 CZ PHE 199 36.550 40.750 18.860 1.00 0.00 C +ATOM 3150 HZ PHE 199 36.348 39.712 18.638 1.00 0.00 H +ATOM 3151 CD2 PHE 199 36.340 43.150 18.570 1.00 0.00 C +ATOM 3152 HD2 PHE 199 35.918 44.002 18.058 1.00 0.00 H +ATOM 3153 CE2 PHE 199 35.920 41.830 18.310 1.00 0.00 C +ATOM 3154 HE2 PHE 199 35.146 41.810 17.556 1.00 0.00 H +ATOM 3155 C PHE 199 38.900 44.990 17.320 1.00 0.00 C +ATOM 3156 O PHE 199 39.230 44.020 16.630 1.00 0.00 O +ATOM 3157 N VAL 200 38.260 46.040 16.730 1.00 0.00 N +ATOM 3158 HN VAL 200 37.812 46.786 17.218 1.00 0.00 H +ATOM 3159 CA VAL 200 37.940 45.990 15.300 1.00 0.00 C +ATOM 3160 HA VAL 200 37.410 45.078 15.070 1.00 0.00 H +ATOM 3161 CB VAL 200 36.920 47.100 14.980 1.00 0.00 C +ATOM 3162 HB VAL 200 37.258 48.034 15.478 1.00 0.00 H +ATOM 3163 CG1 VAL 200 36.920 47.420 13.530 1.00 0.00 C +ATOM 3164 1HG1 VAL 200 37.926 47.712 13.158 1.00 0.00 H +ATOM 3165 2HG1 VAL 200 36.620 46.562 12.892 1.00 0.00 H +ATOM 3166 3HG1 VAL 200 36.310 48.310 13.270 1.00 0.00 H +ATOM 3167 CG2 VAL 200 35.540 46.740 15.600 1.00 0.00 C +ATOM 3168 1HG2 VAL 200 34.712 47.438 15.350 1.00 0.00 H +ATOM 3169 2HG2 VAL 200 35.240 45.732 15.240 1.00 0.00 H +ATOM 3170 3HG2 VAL 200 35.520 46.630 16.704 1.00 0.00 H +ATOM 3171 C VAL 200 39.230 45.960 14.370 1.00 0.00 C +ATOM 3172 O VAL 200 39.350 45.170 13.430 1.00 0.00 O +ATOM 3173 N LYS 201 40.310 46.710 14.730 1.00 0.00 N +ATOM 3174 HN LYS 201 40.260 47.324 15.514 1.00 0.00 H +ATOM 3175 CA LYS 201 41.600 46.810 13.970 1.00 0.00 C +ATOM 3176 HA LYS 201 41.410 46.860 12.908 1.00 0.00 H +ATOM 3177 CB LYS 201 42.260 48.190 14.320 1.00 0.00 C +ATOM 3178 HB1 LYS 201 42.450 48.330 15.406 1.00 0.00 H +ATOM 3179 HB2 LYS 201 43.262 48.180 13.840 1.00 0.00 H +ATOM 3180 CG LYS 201 41.500 49.390 13.690 1.00 0.00 C +ATOM 3181 HG1 LYS 201 41.998 49.570 12.714 1.00 0.00 H +ATOM 3182 HG2 LYS 201 40.422 49.130 13.620 1.00 0.00 H +ATOM 3183 CD LYS 201 41.640 50.720 14.540 1.00 0.00 C +ATOM 3184 HD1 LYS 201 41.110 50.490 15.490 1.00 0.00 H +ATOM 3185 HD2 LYS 201 42.722 50.910 14.710 1.00 0.00 H +ATOM 3186 CE LYS 201 41.090 51.990 13.770 1.00 0.00 C +ATOM 3187 HE1 LYS 201 41.560 52.080 12.768 1.00 0.00 H +ATOM 3188 HE2 LYS 201 40.060 51.740 13.440 1.00 0.00 H +ATOM 3189 NZ LYS 201 41.140 53.170 14.530 1.00 0.00 N +ATOM 3190 HZ1 LYS 201 40.436 53.160 15.294 1.00 0.00 H +ATOM 3191 HZ2 LYS 201 42.118 53.400 14.800 1.00 0.00 H +ATOM 3192 HZ3 LYS 201 40.890 54.018 13.982 1.00 0.00 H +ATOM 3193 C LYS 201 42.530 45.550 14.220 1.00 0.00 C +ATOM 3194 O LYS 201 43.400 45.230 13.400 1.00 0.00 O +ATOM 3195 N ALA 202 42.220 44.800 15.290 1.00 0.00 N +ATOM 3196 HN ALA 202 41.560 45.060 15.990 1.00 0.00 H +ATOM 3197 CA ALA 202 42.940 43.640 15.600 1.00 0.00 C +ATOM 3198 HA ALA 202 43.998 43.860 15.630 1.00 0.00 H +ATOM 3199 CB ALA 202 42.600 43.280 17.030 1.00 0.00 C +ATOM 3200 HB1 ALA 202 42.970 42.242 17.170 1.00 0.00 H +ATOM 3201 HB2 ALA 202 43.040 44.020 17.730 1.00 0.00 H +ATOM 3202 HB3 ALA 202 41.510 43.480 17.120 1.00 0.00 H +ATOM 3203 C ALA 202 42.780 42.540 14.570 1.00 0.00 C +ATOM 3204 O ALA 202 43.680 41.750 14.290 1.00 0.00 O +ATOM 3205 N ALA 203 41.630 42.530 13.850 1.00 0.00 N +ATOM 3206 HN ALA 203 40.880 43.130 14.120 1.00 0.00 H +ATOM 3207 CA ALA 203 41.320 41.670 12.730 1.00 0.00 C +ATOM 3208 HA ALA 203 41.220 40.652 13.080 1.00 0.00 H +ATOM 3209 CB ALA 203 39.980 42.210 12.150 1.00 0.00 C +ATOM 3210 HB1 ALA 203 39.450 42.470 13.090 1.00 0.00 H +ATOM 3211 HB2 ALA 203 40.170 43.124 11.548 1.00 0.00 H +ATOM 3212 HB3 ALA 203 39.380 41.460 11.590 1.00 0.00 H +ATOM 3213 C ALA 203 42.340 41.650 11.610 1.00 0.00 C +ATOM 3214 O ALA 203 42.680 40.580 11.110 1.00 0.00 O +ATOM 3215 N VAL 204 42.830 42.810 11.200 1.00 0.00 N +ATOM 3216 HN VAL 204 42.498 43.686 11.542 1.00 0.00 H +ATOM 3217 CA VAL 204 43.770 42.980 10.070 1.00 0.00 C +ATOM 3218 HA VAL 204 43.830 42.026 9.568 1.00 0.00 H +ATOM 3219 CB VAL 204 43.450 44.080 9.090 1.00 0.00 C +ATOM 3220 HB VAL 204 44.202 44.230 8.288 1.00 0.00 H +ATOM 3221 CG1 VAL 204 42.140 43.660 8.440 1.00 0.00 C +ATOM 3222 1HG1 VAL 204 42.030 44.362 7.588 1.00 0.00 H +ATOM 3223 2HG1 VAL 204 42.220 42.604 8.102 1.00 0.00 H +ATOM 3224 3HG1 VAL 204 41.340 43.720 9.210 1.00 0.00 H +ATOM 3225 CG2 VAL 204 43.290 45.370 9.810 1.00 0.00 C +ATOM 3226 1HG2 VAL 204 44.226 45.728 10.288 1.00 0.00 H +ATOM 3227 2HG2 VAL 204 43.060 46.210 9.120 1.00 0.00 H +ATOM 3228 3HG2 VAL 204 42.548 45.280 10.632 1.00 0.00 H +ATOM 3229 C VAL 204 45.140 43.320 10.590 1.00 0.00 C +ATOM 3230 O VAL 204 46.060 43.330 9.870 1.00 0.00 O +ATOM 3231 N SER 205 45.300 43.500 11.920 1.00 0.00 N +ATOM 3232 HN SER 205 44.572 43.430 12.598 1.00 0.00 H +ATOM 3233 CA SER 205 46.540 43.950 12.580 1.00 0.00 C +ATOM 3234 HA SER 205 47.394 43.810 11.936 1.00 0.00 H +ATOM 3235 CB SER 205 46.610 45.470 12.840 1.00 0.00 C +ATOM 3236 HB1 SER 205 46.750 46.038 11.894 1.00 0.00 H +ATOM 3237 HB2 SER 205 45.672 45.854 13.294 1.00 0.00 H +ATOM 3238 OG SER 205 47.750 45.970 13.550 1.00 0.00 O +ATOM 3239 HG1 SER 205 47.970 46.820 13.160 1.00 0.00 H +ATOM 3240 C SER 205 46.910 43.240 13.810 1.00 0.00 C +ATOM 3241 O SER 205 46.140 43.220 14.800 1.00 0.00 O +ATOM 3242 N GLN 206 48.060 42.550 13.840 1.00 0.00 N +ATOM 3243 HN GLN 206 48.538 42.590 12.966 1.00 0.00 H +ATOM 3244 CA GLN 206 48.610 41.970 15.010 1.00 0.00 C +ATOM 3245 HA GLN 206 47.924 41.314 15.524 1.00 0.00 H +ATOM 3246 CB GLN 206 49.840 41.070 14.640 1.00 0.00 C +ATOM 3247 HB1 GLN 206 50.400 40.740 15.540 1.00 0.00 H +ATOM 3248 HB2 GLN 206 49.408 40.146 14.198 1.00 0.00 H +ATOM 3249 CG GLN 206 50.970 41.660 13.750 1.00 0.00 C +ATOM 3250 HG1 GLN 206 51.142 42.748 13.892 1.00 0.00 H +ATOM 3251 HG2 GLN 206 51.910 41.130 14.010 1.00 0.00 H +ATOM 3252 CD GLN 206 50.910 41.350 12.210 1.00 0.00 C +ATOM 3253 OE1 GLN 206 50.940 40.180 11.740 1.00 0.00 O +ATOM 3254 NE2 GLN 206 50.870 42.430 11.430 1.00 0.00 N +ATOM 3255 1HE2 GLN 206 50.750 43.320 11.870 1.00 0.00 H +ATOM 3256 2HE2 GLN 206 51.238 42.320 10.506 1.00 0.00 H +ATOM 3257 C GLN 206 48.940 42.950 16.150 1.00 0.00 C +ATOM 3258 O GLN 206 48.840 42.640 17.330 1.00 0.00 O +ATOM 3259 N GLU 207 49.380 44.160 15.830 1.00 0.00 N +ATOM 3260 HN GLU 207 49.510 44.448 14.884 1.00 0.00 H +ATOM 3261 CA GLU 207 49.760 45.180 16.830 1.00 0.00 C +ATOM 3262 HA GLU 207 50.440 44.820 17.590 1.00 0.00 H +ATOM 3263 CB GLU 207 50.360 46.450 16.120 1.00 0.00 C +ATOM 3264 HB1 GLU 207 51.426 46.540 16.420 1.00 0.00 H +ATOM 3265 HB2 GLU 207 50.320 46.340 15.014 1.00 0.00 H +ATOM 3266 CG GLU 207 49.810 47.880 16.430 1.00 0.00 C +ATOM 3267 HG1 GLU 207 48.746 47.960 16.120 1.00 0.00 H +ATOM 3268 HG2 GLU 207 49.730 48.120 17.512 1.00 0.00 H +ATOM 3269 CD GLU 207 50.560 48.930 15.670 1.00 0.00 C +ATOM 3270 OE1 GLU 207 50.030 49.280 14.540 1.00 0.00 O +ATOM 3271 OE2 GLU 207 51.550 49.440 16.180 1.00 0.00 O +ATOM 3272 C GLU 207 48.540 45.600 17.680 1.00 0.00 C +ATOM 3273 O GLU 207 48.560 45.700 18.880 1.00 0.00 O +ATOM 3274 N TYR 208 47.360 45.790 17.030 1.00 0.00 N +ATOM 3275 HN TYR 208 47.280 45.740 16.038 1.00 0.00 H +ATOM 3276 CA TYR 208 46.070 46.010 17.620 1.00 0.00 C +ATOM 3277 HA TYR 208 46.330 46.690 18.418 1.00 0.00 H +ATOM 3278 CB TYR 208 45.010 46.740 16.680 1.00 0.00 C +ATOM 3279 HB1 TYR 208 44.810 46.150 15.760 1.00 0.00 H +ATOM 3280 HB2 TYR 208 44.036 46.790 17.212 1.00 0.00 H +ATOM 3281 CG TYR 208 45.410 48.110 16.380 1.00 0.00 C +ATOM 3282 CD1 TYR 208 45.230 49.130 17.300 1.00 0.00 C +ATOM 3283 HD1 TYR 208 44.868 48.910 18.294 1.00 0.00 H +ATOM 3284 CE1 TYR 208 45.570 50.450 16.980 1.00 0.00 C +ATOM 3285 HE1 TYR 208 45.370 51.230 17.700 1.00 0.00 H +ATOM 3286 CZ TYR 208 46.090 50.730 15.700 1.00 0.00 C +ATOM 3287 OH TYR 208 46.570 51.960 15.380 1.00 0.00 O +ATOM 3288 HH TYR 208 47.212 51.840 14.678 1.00 0.00 H +ATOM 3289 CD2 TYR 208 45.880 48.450 15.110 1.00 0.00 C +ATOM 3290 HD2 TYR 208 45.850 47.672 14.362 1.00 0.00 H +ATOM 3291 CE2 TYR 208 46.280 49.750 14.750 1.00 0.00 C +ATOM 3292 HE2 TYR 208 46.740 49.930 13.790 1.00 0.00 H +ATOM 3293 C TYR 208 45.490 44.840 18.370 1.00 0.00 C +ATOM 3294 O TYR 208 44.840 44.990 19.430 1.00 0.00 O +ATOM 3295 N ALA 209 45.670 43.610 17.900 1.00 0.00 N +ATOM 3296 HN ALA 209 46.276 43.442 17.126 1.00 0.00 H +ATOM 3297 CA ALA 209 45.340 42.440 18.630 1.00 0.00 C +ATOM 3298 HA ALA 209 44.282 42.440 18.850 1.00 0.00 H +ATOM 3299 CB ALA 209 45.790 41.260 17.730 1.00 0.00 C +ATOM 3300 HB1 ALA 209 45.340 40.318 18.110 1.00 0.00 H +ATOM 3301 HB2 ALA 209 45.430 41.400 16.688 1.00 0.00 H +ATOM 3302 HB3 ALA 209 46.894 41.160 17.660 1.00 0.00 H +ATOM 3303 C ALA 209 46.060 42.240 19.990 1.00 0.00 C +ATOM 3304 O ALA 209 45.450 41.880 20.990 1.00 0.00 O +ATOM 3305 N ASP 210 47.320 42.660 20.040 1.00 0.00 N +ATOM 3306 HN ASP 210 47.776 42.740 19.156 1.00 0.00 H +ATOM 3307 CA ASP 210 48.000 42.940 21.300 1.00 0.00 C +ATOM 3308 HA ASP 210 47.730 42.070 21.880 1.00 0.00 H +ATOM 3309 CB ASP 210 49.550 42.950 21.190 1.00 0.00 C +ATOM 3310 HB1 ASP 210 49.878 43.628 20.372 1.00 0.00 H +ATOM 3311 HB2 ASP 210 50.082 43.320 22.092 1.00 0.00 H +ATOM 3312 CG ASP 210 50.130 41.600 20.990 1.00 0.00 C +ATOM 3313 OD1 ASP 210 49.520 40.580 21.390 1.00 0.00 O +ATOM 3314 OD2 ASP 210 51.280 41.560 20.460 1.00 0.00 O +ATOM 3315 C ASP 210 47.570 44.140 22.150 1.00 0.00 C +ATOM 3316 O ASP 210 47.460 44.170 23.430 1.00 0.00 O +ATOM 3317 N LYS 211 47.210 45.220 21.430 1.00 0.00 N +ATOM 3318 HN LYS 211 47.220 45.250 20.434 1.00 0.00 H +ATOM 3319 CA LYS 211 46.920 46.480 21.990 1.00 0.00 C +ATOM 3320 HA LYS 211 47.690 46.710 22.710 1.00 0.00 H +ATOM 3321 CB LYS 211 46.640 47.580 20.930 1.00 0.00 C +ATOM 3322 HB1 LYS 211 47.238 47.450 20.002 1.00 0.00 H +ATOM 3323 HB2 LYS 211 45.594 47.600 20.558 1.00 0.00 H +ATOM 3324 CG LYS 211 47.090 49.050 21.310 1.00 0.00 C +ATOM 3325 HG1 LYS 211 46.274 49.220 22.046 1.00 0.00 H +ATOM 3326 HG2 LYS 211 48.068 48.960 21.830 1.00 0.00 H +ATOM 3327 CD LYS 211 47.140 50.090 20.210 1.00 0.00 C +ATOM 3328 HD1 LYS 211 47.680 49.720 19.312 1.00 0.00 H +ATOM 3329 HD2 LYS 211 46.086 50.290 19.920 1.00 0.00 H +ATOM 3330 CE LYS 211 47.780 51.350 20.790 1.00 0.00 C +ATOM 3331 HE1 LYS 211 47.196 51.772 21.636 1.00 0.00 H +ATOM 3332 HE2 LYS 211 48.780 51.150 21.230 1.00 0.00 H +ATOM 3333 NZ LYS 211 47.880 52.290 19.640 1.00 0.00 N +ATOM 3334 HZ1 LYS 211 48.272 51.758 18.838 1.00 0.00 H +ATOM 3335 HZ2 LYS 211 47.020 52.830 19.410 1.00 0.00 H +ATOM 3336 HZ3 LYS 211 48.620 52.960 19.930 1.00 0.00 H +ATOM 3337 C LYS 211 45.690 46.410 22.890 1.00 0.00 C +ATOM 3338 O LYS 211 45.670 46.960 23.980 1.00 0.00 O +ATOM 3339 N TRP 212 44.530 45.800 22.470 1.00 0.00 N +ATOM 3340 HN TRP 212 44.420 45.510 21.522 1.00 0.00 H +ATOM 3341 CA TRP 212 43.360 45.650 23.310 1.00 0.00 C +ATOM 3342 HA TRP 212 43.170 46.608 23.770 1.00 0.00 H +ATOM 3343 CB TRP 212 42.040 45.160 22.590 1.00 0.00 C +ATOM 3344 HB1 TRP 212 41.242 45.320 23.348 1.00 0.00 H +ATOM 3345 HB2 TRP 212 41.762 45.826 21.744 1.00 0.00 H +ATOM 3346 CG TRP 212 41.920 43.830 22.000 1.00 0.00 C +ATOM 3347 CD1 TRP 212 42.070 43.450 20.690 1.00 0.00 C +ATOM 3348 HD1 TRP 212 42.310 44.142 19.898 1.00 0.00 H +ATOM 3349 NE1 TRP 212 41.720 42.120 20.550 1.00 0.00 N +ATOM 3350 HE1 TRP 212 41.810 41.490 19.810 1.00 0.00 H +ATOM 3351 CE2 TRP 212 41.490 41.600 21.780 1.00 0.00 C +ATOM 3352 CD2 TRP 212 41.660 42.660 22.720 1.00 0.00 C +ATOM 3353 CE3 TRP 212 41.310 42.380 24.070 1.00 0.00 C +ATOM 3354 HE3 TRP 212 41.340 43.210 24.760 1.00 0.00 H +ATOM 3355 CZ3 TRP 212 41.070 41.060 24.470 1.00 0.00 C +ATOM 3356 HZ3 TRP 212 40.940 40.810 25.512 1.00 0.00 H +ATOM 3357 CZ2 TRP 212 41.250 40.290 22.150 1.00 0.00 C +ATOM 3358 HZ2 TRP 212 41.110 39.436 21.506 1.00 0.00 H +ATOM 3359 CH2 TRP 212 41.010 40.040 23.520 1.00 0.00 C +ATOM 3360 HH2 TRP 212 40.700 39.058 23.840 1.00 0.00 H +ATOM 3361 C TRP 212 43.650 44.680 24.490 1.00 0.00 C +ATOM 3362 O TRP 212 43.270 44.930 25.620 1.00 0.00 O +ATOM 3363 N ARG 213 44.400 43.560 24.220 1.00 0.00 N +ATOM 3364 HN ARG 213 44.852 43.390 23.348 1.00 0.00 H +ATOM 3365 CA ARG 213 44.780 42.680 25.230 1.00 0.00 C +ATOM 3366 HA ARG 213 43.864 42.258 25.612 1.00 0.00 H +ATOM 3367 CB ARG 213 45.640 41.520 24.570 1.00 0.00 C +ATOM 3368 HB1 ARG 213 46.410 41.890 23.860 1.00 0.00 H +ATOM 3369 HB2 ARG 213 46.042 40.936 25.424 1.00 0.00 H +ATOM 3370 CG ARG 213 44.790 40.530 23.740 1.00 0.00 C +ATOM 3371 HG1 ARG 213 44.130 39.930 24.400 1.00 0.00 H +ATOM 3372 HG2 ARG 213 44.072 41.130 23.140 1.00 0.00 H +ATOM 3373 CD ARG 213 45.690 39.520 23.050 1.00 0.00 C +ATOM 3374 HD1 ARG 213 46.290 40.000 22.248 1.00 0.00 H +ATOM 3375 HD2 ARG 213 46.426 39.218 23.826 1.00 0.00 H +ATOM 3376 NE ARG 213 44.870 38.420 22.490 1.00 0.00 N +ATOM 3377 HE ARG 213 44.830 37.532 22.948 1.00 0.00 H +ATOM 3378 CZ ARG 213 44.070 38.490 21.390 1.00 0.00 C +ATOM 3379 NH1 ARG 213 44.080 39.470 20.600 1.00 0.00 N +ATOM 3380 1HH1 ARG 213 44.470 40.300 21.000 1.00 0.00 H +ATOM 3381 2HH1 ARG 213 43.344 39.430 19.924 1.00 0.00 H +ATOM 3382 NH2 ARG 213 43.350 37.410 21.090 1.00 0.00 N +ATOM 3383 1HH2 ARG 213 43.310 36.642 21.728 1.00 0.00 H +ATOM 3384 2HH2 ARG 213 43.190 37.140 20.140 1.00 0.00 H +ATOM 3385 C ARG 213 45.550 43.260 26.410 1.00 0.00 C +ATOM 3386 O ARG 213 45.200 43.020 27.540 1.00 0.00 O +ATOM 3387 N ALA 214 46.570 44.120 26.210 1.00 0.00 N +ATOM 3388 HN ALA 214 46.870 44.240 25.268 1.00 0.00 H +ATOM 3389 CA ALA 214 47.340 44.760 27.240 1.00 0.00 C +ATOM 3390 HA ALA 214 47.668 44.084 28.016 1.00 0.00 H +ATOM 3391 CB ALA 214 48.560 45.350 26.540 1.00 0.00 C +ATOM 3392 HB1 ALA 214 48.280 46.254 25.958 1.00 0.00 H +ATOM 3393 HB2 ALA 214 49.342 45.620 27.282 1.00 0.00 H +ATOM 3394 HB3 ALA 214 48.958 44.642 25.782 1.00 0.00 H +ATOM 3395 C ALA 214 46.540 45.840 28.000 1.00 0.00 C +ATOM 3396 O ALA 214 46.720 45.980 29.220 1.00 0.00 O +ATOM 3397 N GLU 215 45.670 46.560 27.280 1.00 0.00 N +ATOM 3398 HN GLU 215 45.800 46.430 26.300 1.00 0.00 H +ATOM 3399 CA GLU 215 44.730 47.440 27.850 1.00 0.00 C +ATOM 3400 HA GLU 215 45.170 48.200 28.480 1.00 0.00 H +ATOM 3401 CB GLU 215 44.000 48.170 26.720 1.00 0.00 C +ATOM 3402 HB1 GLU 215 44.758 48.600 26.032 1.00 0.00 H +ATOM 3403 HB2 GLU 215 43.490 47.410 26.090 1.00 0.00 H +ATOM 3404 CG GLU 215 43.050 49.290 27.200 1.00 0.00 C +ATOM 3405 HG1 GLU 215 42.558 49.882 26.398 1.00 0.00 H +ATOM 3406 HG2 GLU 215 42.236 48.908 27.852 1.00 0.00 H +ATOM 3407 CD GLU 215 43.730 50.410 27.940 1.00 0.00 C +ATOM 3408 OE1 GLU 215 44.770 50.910 27.460 1.00 0.00 O +ATOM 3409 OE2 GLU 215 43.220 50.780 29.000 1.00 0.00 O +ATOM 3410 C GLU 215 43.690 46.870 28.820 1.00 0.00 C +ATOM 3411 O GLU 215 43.360 47.520 29.820 1.00 0.00 O +ATOM 3412 N VAL 216 43.180 45.640 28.550 1.00 0.00 N +ATOM 3413 HN VAL 216 43.420 45.160 27.710 1.00 0.00 H +ATOM 3414 CA VAL 216 42.180 45.000 29.440 1.00 0.00 C +ATOM 3415 HA VAL 216 41.690 45.782 30.000 1.00 0.00 H +ATOM 3416 CB VAL 216 41.130 44.240 28.700 1.00 0.00 C +ATOM 3417 HB VAL 216 40.378 43.970 29.472 1.00 0.00 H +ATOM 3418 CG1 VAL 216 40.540 45.250 27.670 1.00 0.00 C +ATOM 3419 1HG1 VAL 216 39.620 44.800 27.240 1.00 0.00 H +ATOM 3420 2HG1 VAL 216 40.260 46.172 28.222 1.00 0.00 H +ATOM 3421 3HG1 VAL 216 41.220 45.540 26.840 1.00 0.00 H +ATOM 3422 CG2 VAL 216 41.520 42.950 28.000 1.00 0.00 C +ATOM 3423 1HG2 VAL 216 40.716 42.608 27.316 1.00 0.00 H +ATOM 3424 2HG2 VAL 216 42.402 43.130 27.348 1.00 0.00 H +ATOM 3425 3HG2 VAL 216 41.790 42.250 28.820 1.00 0.00 H +ATOM 3426 C VAL 216 42.820 44.180 30.540 1.00 0.00 C +ATOM 3427 O VAL 216 42.220 43.800 31.530 1.00 0.00 O +ATOM 3428 N THR 217 44.080 43.790 30.370 1.00 0.00 N +ATOM 3429 HN THR 217 44.658 43.998 29.584 1.00 0.00 H +ATOM 3430 CA THR 217 44.860 43.040 31.360 1.00 0.00 C +ATOM 3431 HA THR 217 44.470 42.038 31.460 1.00 0.00 H +ATOM 3432 CB THR 217 46.350 42.890 30.810 1.00 0.00 C +ATOM 3433 HB THR 217 46.590 43.852 30.310 1.00 0.00 H +ATOM 3434 OG1 THR 217 46.270 41.900 29.790 1.00 0.00 O +ATOM 3435 HG1 THR 217 45.848 42.302 29.028 1.00 0.00 H +ATOM 3436 CG2 THR 217 47.350 42.450 31.880 1.00 0.00 C +ATOM 3437 1HG2 THR 217 48.322 42.380 31.348 1.00 0.00 H +ATOM 3438 2HG2 THR 217 47.652 43.164 32.674 1.00 0.00 H +ATOM 3439 3HG2 THR 217 47.010 41.502 32.350 1.00 0.00 H +ATOM 3440 C THR 217 44.920 43.570 32.880 1.00 0.00 C +ATOM 3441 O THR 217 44.810 42.770 33.790 1.00 0.00 O +ATOM 3442 N PRO 218 45.090 44.890 33.280 1.00 0.00 N +ATOM 3443 CD PRO 218 45.700 45.960 32.510 1.00 0.00 C +ATOM 3444 HD1 PRO 218 44.920 46.400 31.850 1.00 0.00 H +ATOM 3445 HD2 PRO 218 46.472 45.470 31.878 1.00 0.00 H +ATOM 3446 CA PRO 218 44.980 45.270 34.680 1.00 0.00 C +ATOM 3447 HA PRO 218 45.678 44.722 35.298 1.00 0.00 H +ATOM 3448 CB PRO 218 45.440 46.730 34.680 1.00 0.00 C +ATOM 3449 HB1 PRO 218 44.580 47.420 34.550 1.00 0.00 H +ATOM 3450 HB2 PRO 218 45.918 47.030 35.638 1.00 0.00 H +ATOM 3451 CG PRO 218 46.380 46.920 33.480 1.00 0.00 C +ATOM 3452 HG1 PRO 218 46.440 47.970 33.120 1.00 0.00 H +ATOM 3453 HG2 PRO 218 47.408 46.578 33.722 1.00 0.00 H +ATOM 3454 C PRO 218 43.630 45.000 35.270 1.00 0.00 C +ATOM 3455 O PRO 218 43.620 44.400 36.350 1.00 0.00 O +ATOM 3456 N MET 219 42.480 45.310 34.570 1.00 0.00 N +ATOM 3457 HN MET 219 42.460 45.772 33.686 1.00 0.00 H +ATOM 3458 CA MET 219 41.150 45.160 35.080 1.00 0.00 C +ATOM 3459 HA MET 219 41.120 45.590 36.070 1.00 0.00 H +ATOM 3460 CB MET 219 40.040 45.860 34.260 1.00 0.00 C +ATOM 3461 HB1 MET 219 40.372 46.916 34.160 1.00 0.00 H +ATOM 3462 HB2 MET 219 39.828 45.548 33.216 1.00 0.00 H +ATOM 3463 CG MET 219 38.710 45.810 35.080 1.00 0.00 C +ATOM 3464 HG1 MET 219 38.030 46.410 34.440 1.00 0.00 H +ATOM 3465 HG2 MET 219 38.270 44.790 35.030 1.00 0.00 H +ATOM 3466 SD MET 219 38.770 46.410 36.840 1.00 0.00 S +ATOM 3467 CE MET 219 38.800 48.200 36.430 1.00 0.00 C +ATOM 3468 HE1 MET 219 37.850 48.490 35.930 1.00 0.00 H +ATOM 3469 HE2 MET 219 38.800 48.802 37.364 1.00 0.00 H +ATOM 3470 HE3 MET 219 39.606 48.542 35.746 1.00 0.00 H +ATOM 3471 C MET 219 40.810 43.680 35.250 1.00 0.00 C +ATOM 3472 O MET 219 40.210 43.380 36.270 1.00 0.00 O +ATOM 3473 N THR 220 41.100 42.840 34.230 1.00 0.00 N +ATOM 3474 HN THR 220 41.520 43.180 33.392 1.00 0.00 H +ATOM 3475 CA THR 220 40.850 41.400 34.340 1.00 0.00 C +ATOM 3476 HA THR 220 39.788 41.230 34.430 1.00 0.00 H +ATOM 3477 CB THR 220 41.490 40.670 33.180 1.00 0.00 C +ATOM 3478 HB THR 220 42.508 41.098 33.050 1.00 0.00 H +ATOM 3479 OG1 THR 220 40.770 40.980 32.040 1.00 0.00 O +ATOM 3480 HG1 THR 220 41.112 40.426 31.336 1.00 0.00 H +ATOM 3481 CG2 THR 220 41.540 39.120 33.290 1.00 0.00 C +ATOM 3482 1HG2 THR 220 42.240 38.730 34.060 1.00 0.00 H +ATOM 3483 2HG2 THR 220 40.540 38.830 33.680 1.00 0.00 H +ATOM 3484 3HG2 THR 220 41.810 38.580 32.358 1.00 0.00 H +ATOM 3485 C THR 220 41.410 40.770 35.620 1.00 0.00 C +ATOM 3486 O THR 220 40.840 39.910 36.270 1.00 0.00 O +ATOM 3487 N GLY 221 42.610 41.140 35.980 1.00 0.00 N +ATOM 3488 HN GLY 221 42.990 41.908 35.470 1.00 0.00 H +ATOM 3489 CA GLY 221 43.350 40.710 37.120 1.00 0.00 C +ATOM 3490 HA1 GLY 221 43.280 39.634 37.180 1.00 0.00 H +ATOM 3491 HA2 GLY 221 44.410 40.920 37.100 1.00 0.00 H +ATOM 3492 C GLY 221 42.730 41.100 38.370 1.00 0.00 C +ATOM 3493 O GLY 221 42.500 40.230 39.210 1.00 0.00 O +ATOM 3494 N LYS 222 42.370 42.400 38.540 1.00 0.00 N +ATOM 3495 HN LYS 222 42.600 43.050 37.820 1.00 0.00 H +ATOM 3496 CA LYS 222 41.660 43.010 39.640 1.00 0.00 C +ATOM 3497 HA LYS 222 42.168 42.820 40.576 1.00 0.00 H +ATOM 3498 CB LYS 222 41.500 44.530 39.380 1.00 0.00 C +ATOM 3499 HB1 LYS 222 42.534 44.902 39.220 1.00 0.00 H +ATOM 3500 HB2 LYS 222 40.890 44.650 38.460 1.00 0.00 H +ATOM 3501 CG LYS 222 40.960 45.430 40.530 1.00 0.00 C +ATOM 3502 HG1 LYS 222 41.500 45.000 41.400 1.00 0.00 H +ATOM 3503 HG2 LYS 222 41.250 46.490 40.360 1.00 0.00 H +ATOM 3504 CD LYS 222 39.480 45.280 40.710 1.00 0.00 C +ATOM 3505 HD1 LYS 222 38.946 45.410 39.744 1.00 0.00 H +ATOM 3506 HD2 LYS 222 39.250 44.266 41.102 1.00 0.00 H +ATOM 3507 CE LYS 222 39.010 46.400 41.700 1.00 0.00 C +ATOM 3508 HE1 LYS 222 39.560 46.320 42.662 1.00 0.00 H +ATOM 3509 HE2 LYS 222 38.990 47.392 41.200 1.00 0.00 H +ATOM 3510 NZ LYS 222 37.700 46.080 41.890 1.00 0.00 N +ATOM 3511 HZ1 LYS 222 37.334 46.874 42.456 1.00 0.00 H +ATOM 3512 HZ2 LYS 222 37.280 45.940 40.950 1.00 0.00 H +ATOM 3513 HZ3 LYS 222 37.540 45.200 42.420 1.00 0.00 H +ATOM 3514 C LYS 222 40.340 42.280 39.790 1.00 0.00 C +ATOM 3515 O LYS 222 40.010 41.860 40.870 1.00 0.00 O +ATOM 3516 N ARG 223 39.430 42.120 38.820 1.00 0.00 N +ATOM 3517 HN ARG 223 39.710 42.350 37.890 1.00 0.00 H +ATOM 3518 CA ARG 223 38.170 41.480 38.860 1.00 0.00 C +ATOM 3519 HA ARG 223 37.574 42.026 39.576 1.00 0.00 H +ATOM 3520 CB ARG 223 37.360 41.450 37.500 1.00 0.00 C +ATOM 3521 HB1 ARG 223 37.910 40.840 36.750 1.00 0.00 H +ATOM 3522 HB2 ARG 223 36.402 40.892 37.570 1.00 0.00 H +ATOM 3523 CG ARG 223 37.180 42.910 36.990 1.00 0.00 C +ATOM 3524 HG1 ARG 223 37.932 43.662 37.310 1.00 0.00 H +ATOM 3525 HG2 ARG 223 37.200 42.820 35.884 1.00 0.00 H +ATOM 3526 CD ARG 223 35.780 43.460 37.270 1.00 0.00 C +ATOM 3527 HD1 ARG 223 35.680 44.374 36.648 1.00 0.00 H +ATOM 3528 HD2 ARG 223 35.000 42.690 37.080 1.00 0.00 H +ATOM 3529 NE ARG 223 35.740 43.750 38.770 1.00 0.00 N +ATOM 3530 HE ARG 223 35.988 44.692 38.998 1.00 0.00 H +ATOM 3531 CZ ARG 223 35.100 43.070 39.630 1.00 0.00 C +ATOM 3532 NH1 ARG 223 34.670 41.850 39.430 1.00 0.00 N +ATOM 3533 1HH1 ARG 223 34.780 41.430 38.530 1.00 0.00 H +ATOM 3534 2HH1 ARG 223 34.118 41.510 40.192 1.00 0.00 H +ATOM 3535 NH2 ARG 223 34.720 43.750 40.740 1.00 0.00 N +ATOM 3536 1HH2 ARG 223 34.780 44.730 40.550 1.00 0.00 H +ATOM 3537 2HH2 ARG 223 34.050 43.340 41.360 1.00 0.00 H +ATOM 3538 C ARG 223 38.280 39.960 39.310 1.00 0.00 C +ATOM 3539 O ARG 223 37.470 39.610 40.120 1.00 0.00 O +ATOM 3540 N LEU 224 39.200 39.150 38.780 1.00 0.00 N +ATOM 3541 HN LEU 224 39.778 39.708 38.192 1.00 0.00 H +ATOM 3542 CA LEU 224 39.500 37.850 39.340 1.00 0.00 C +ATOM 3543 HA LEU 224 38.556 37.344 39.192 1.00 0.00 H +ATOM 3544 CB LEU 224 40.520 37.090 38.500 1.00 0.00 C +ATOM 3545 HB1 LEU 224 41.358 37.818 38.430 1.00 0.00 H +ATOM 3546 HB2 LEU 224 40.972 36.176 38.942 1.00 0.00 H +ATOM 3547 CG LEU 224 40.010 36.660 37.120 1.00 0.00 C +ATOM 3548 HG LEU 224 39.588 37.574 36.648 1.00 0.00 H +ATOM 3549 CD1 LEU 224 41.130 36.140 36.310 1.00 0.00 C +ATOM 3550 1HD1 LEU 224 40.770 35.710 35.350 1.00 0.00 H +ATOM 3551 2HD1 LEU 224 41.922 36.902 36.150 1.00 0.00 H +ATOM 3552 3HD1 LEU 224 41.632 35.268 36.782 1.00 0.00 H +ATOM 3553 CD2 LEU 224 39.010 35.550 37.220 1.00 0.00 C +ATOM 3554 1HD2 LEU 224 38.710 35.170 36.220 1.00 0.00 H +ATOM 3555 2HD2 LEU 224 39.542 34.768 37.802 1.00 0.00 H +ATOM 3556 3HD2 LEU 224 38.088 35.930 37.710 1.00 0.00 H +ATOM 3557 C LEU 224 39.840 37.700 40.830 1.00 0.00 C +ATOM 3558 O LEU 224 39.390 36.810 41.530 1.00 0.00 O +ATOM 3559 N MET 225 40.660 38.560 41.370 1.00 0.00 N +ATOM 3560 HN MET 225 40.990 39.210 40.690 1.00 0.00 H +ATOM 3561 CA MET 225 41.020 38.660 42.840 1.00 0.00 C +ATOM 3562 HA MET 225 41.352 37.674 43.132 1.00 0.00 H +ATOM 3563 CB MET 225 42.310 39.490 43.030 1.00 0.00 C +ATOM 3564 HB1 MET 225 42.070 40.538 42.750 1.00 0.00 H +ATOM 3565 HB2 MET 225 42.678 39.550 44.076 1.00 0.00 H +ATOM 3566 CG MET 225 43.510 38.900 42.240 1.00 0.00 C +ATOM 3567 HG1 MET 225 43.690 37.840 42.520 1.00 0.00 H +ATOM 3568 HG2 MET 225 43.210 38.860 41.170 1.00 0.00 H +ATOM 3569 SD MET 225 45.080 39.820 42.180 1.00 0.00 S +ATOM 3570 CE MET 225 45.640 39.370 43.860 1.00 0.00 C +ATOM 3571 HE1 MET 225 46.012 38.324 43.850 1.00 0.00 H +ATOM 3572 HE2 MET 225 46.474 40.034 44.178 1.00 0.00 H +ATOM 3573 HE3 MET 225 44.842 39.520 44.618 1.00 0.00 H +ATOM 3574 C MET 225 39.860 39.050 43.710 1.00 0.00 C +ATOM 3575 O MET 225 39.630 38.330 44.740 1.00 0.00 O +ATOM 3576 N ASP 226 39.040 40.020 43.290 1.00 0.00 N +ATOM 3577 HN ASP 226 39.320 40.660 42.580 1.00 0.00 H +ATOM 3578 CA ASP 226 37.790 40.170 43.900 1.00 0.00 C +ATOM 3579 HA ASP 226 37.830 40.390 44.956 1.00 0.00 H +ATOM 3580 CB ASP 226 37.010 41.430 43.270 1.00 0.00 C +ATOM 3581 HB1 ASP 226 37.030 41.370 42.160 1.00 0.00 H +ATOM 3582 HB2 ASP 226 35.956 41.380 43.618 1.00 0.00 H +ATOM 3583 CG ASP 226 37.730 42.670 43.680 1.00 0.00 C +ATOM 3584 OD1 ASP 226 38.640 42.600 44.590 1.00 0.00 O +ATOM 3585 OD2 ASP 226 37.390 43.760 43.200 1.00 0.00 O +ATOM 3586 C ASP 226 36.870 38.970 43.830 1.00 0.00 C +ATOM 3587 O ASP 226 36.220 38.530 44.790 1.00 0.00 O +ATOM 3588 N ALA 227 36.740 38.370 42.630 1.00 0.00 N +ATOM 3589 HN ALA 227 37.210 38.860 41.900 1.00 0.00 H +ATOM 3590 CA ALA 227 35.870 37.220 42.360 1.00 0.00 C +ATOM 3591 HA ALA 227 34.852 37.540 42.530 1.00 0.00 H +ATOM 3592 CB ALA 227 35.900 36.740 40.920 1.00 0.00 C +ATOM 3593 HB1 ALA 227 36.936 36.492 40.602 1.00 0.00 H +ATOM 3594 HB2 ALA 227 35.268 35.846 40.730 1.00 0.00 H +ATOM 3595 HB3 ALA 227 35.560 37.532 40.218 1.00 0.00 H +ATOM 3596 C ALA 227 36.200 36.040 43.300 1.00 0.00 C +ATOM 3597 O ALA 227 35.370 35.540 44.040 1.00 0.00 O +ATOM 3598 N GLN 228 37.490 35.710 43.400 1.00 0.00 N +ATOM 3599 HN GLN 228 38.138 36.088 42.742 1.00 0.00 H +ATOM 3600 CA GLN 228 38.000 34.730 44.280 1.00 0.00 C +ATOM 3601 HA GLN 228 37.628 33.796 43.888 1.00 0.00 H +ATOM 3602 CB GLN 228 39.530 34.730 44.240 1.00 0.00 C +ATOM 3603 HB1 GLN 228 39.710 35.826 44.220 1.00 0.00 H +ATOM 3604 HB2 GLN 228 39.912 34.288 45.184 1.00 0.00 H +ATOM 3605 CG GLN 228 40.070 34.170 42.920 1.00 0.00 C +ATOM 3606 HG1 GLN 228 40.030 33.078 42.720 1.00 0.00 H +ATOM 3607 HG2 GLN 228 39.578 34.592 42.018 1.00 0.00 H +ATOM 3608 CD GLN 228 41.580 34.460 42.730 1.00 0.00 C +ATOM 3609 OE1 GLN 228 42.410 33.750 43.240 1.00 0.00 O +ATOM 3610 NE2 GLN 228 41.950 35.490 41.960 1.00 0.00 N +ATOM 3611 1HE2 GLN 228 41.330 36.240 41.730 1.00 0.00 H +ATOM 3612 2HE2 GLN 228 42.896 35.682 41.698 1.00 0.00 H +ATOM 3613 C GLN 228 37.600 34.930 45.820 1.00 0.00 C +ATOM 3614 O GLN 228 37.190 33.940 46.460 1.00 0.00 O +ATOM 3615 N ARG 229 37.870 36.150 46.360 1.00 0.00 N +ATOM 3616 HN ARG 229 38.332 36.884 45.868 1.00 0.00 H +ATOM 3617 CA ARG 229 37.480 36.500 47.710 1.00 0.00 C +ATOM 3618 HA ARG 229 37.918 35.792 48.398 1.00 0.00 H +ATOM 3619 CB ARG 229 38.120 37.910 48.010 1.00 0.00 C +ATOM 3620 HB1 ARG 229 37.740 38.668 47.292 1.00 0.00 H +ATOM 3621 HB2 ARG 229 37.890 38.200 49.058 1.00 0.00 H +ATOM 3622 CG ARG 229 39.630 38.000 47.980 1.00 0.00 C +ATOM 3623 HG1 ARG 229 40.100 37.362 48.758 1.00 0.00 H +ATOM 3624 HG2 ARG 229 40.040 37.600 47.028 1.00 0.00 H +ATOM 3625 CD ARG 229 39.970 39.410 48.240 1.00 0.00 C +ATOM 3626 HD1 ARG 229 39.468 40.002 47.446 1.00 0.00 H +ATOM 3627 HD2 ARG 229 39.780 39.830 49.250 1.00 0.00 H +ATOM 3628 NE ARG 229 41.470 39.550 47.910 1.00 0.00 N +ATOM 3629 HE ARG 229 41.710 40.152 47.148 1.00 0.00 H +ATOM 3630 CZ ARG 229 42.510 39.150 48.570 1.00 0.00 C +ATOM 3631 NH1 ARG 229 42.520 38.450 49.670 1.00 0.00 N +ATOM 3632 1HH1 ARG 229 41.632 38.320 50.110 1.00 0.00 H +ATOM 3633 2HH1 ARG 229 43.348 37.982 49.980 1.00 0.00 H +ATOM 3634 NH2 ARG 229 43.680 39.350 48.040 1.00 0.00 N +ATOM 3635 1HH2 ARG 229 43.760 39.970 47.260 1.00 0.00 H +ATOM 3636 2HH2 ARG 229 44.448 39.070 48.618 1.00 0.00 H +ATOM 3637 C ARG 229 35.920 36.510 48.040 1.00 0.00 C +ATOM 3638 O ARG 229 35.560 35.990 49.090 1.00 0.00 O +ATOM 3639 N VAL 230 35.030 37.020 47.150 1.00 0.00 N +ATOM 3640 HN VAL 230 35.392 37.452 46.328 1.00 0.00 H +ATOM 3641 CA VAL 230 33.550 36.980 47.240 1.00 0.00 C +ATOM 3642 HA VAL 230 33.232 37.348 48.204 1.00 0.00 H +ATOM 3643 CB VAL 230 32.900 37.720 46.100 1.00 0.00 C +ATOM 3644 HB VAL 230 33.428 37.510 45.144 1.00 0.00 H +ATOM 3645 CG1 VAL 230 31.360 37.460 45.940 1.00 0.00 C +ATOM 3646 1HG1 VAL 230 31.000 38.108 45.112 1.00 0.00 H +ATOM 3647 2HG1 VAL 230 31.120 36.400 45.710 1.00 0.00 H +ATOM 3648 3HG1 VAL 230 30.928 37.832 46.894 1.00 0.00 H +ATOM 3649 CG2 VAL 230 33.090 39.250 46.260 1.00 0.00 C +ATOM 3650 1HG2 VAL 230 32.632 39.688 45.346 1.00 0.00 H +ATOM 3651 2HG2 VAL 230 32.560 39.690 47.130 1.00 0.00 H +ATOM 3652 3HG2 VAL 230 34.142 39.600 46.220 1.00 0.00 H +ATOM 3653 C VAL 230 33.170 35.550 47.200 1.00 0.00 C +ATOM 3654 O VAL 230 32.420 35.010 48.000 1.00 0.00 O +ATOM 3655 N THR 231 33.740 34.740 46.260 1.00 0.00 N +ATOM 3656 HN THR 231 34.260 35.140 45.510 1.00 0.00 H +ATOM 3657 CA THR 231 33.340 33.330 46.150 1.00 0.00 C +ATOM 3658 HA THR 231 32.290 33.170 45.960 1.00 0.00 H +ATOM 3659 CB THR 231 34.030 32.620 44.960 1.00 0.00 C +ATOM 3660 HB THR 231 35.122 32.490 45.120 1.00 0.00 H +ATOM 3661 OG1 THR 231 33.760 33.220 43.730 1.00 0.00 O +ATOM 3662 HG1 THR 231 34.220 34.062 43.770 1.00 0.00 H +ATOM 3663 CG2 THR 231 33.470 31.210 44.770 1.00 0.00 C +ATOM 3664 1HG2 THR 231 33.896 30.446 45.454 1.00 0.00 H +ATOM 3665 2HG2 THR 231 32.362 31.300 44.790 1.00 0.00 H +ATOM 3666 3HG2 THR 231 33.680 30.870 43.732 1.00 0.00 H +ATOM 3667 C THR 231 33.630 32.540 47.440 1.00 0.00 C +ATOM 3668 O THR 231 32.860 31.590 47.800 1.00 0.00 O +ATOM 3669 N ALA 232 34.730 32.880 48.160 1.00 0.00 N +ATOM 3670 HN ALA 232 35.382 33.532 47.780 1.00 0.00 H +ATOM 3671 CA ALA 232 35.190 32.140 49.320 1.00 0.00 C +ATOM 3672 HA ALA 232 35.210 31.092 49.060 1.00 0.00 H +ATOM 3673 CB ALA 232 36.580 32.680 49.730 1.00 0.00 C +ATOM 3674 HB1 ALA 232 36.900 32.370 50.748 1.00 0.00 H +ATOM 3675 HB2 ALA 232 37.230 32.200 48.968 1.00 0.00 H +ATOM 3676 HB3 ALA 232 36.740 33.752 49.490 1.00 0.00 H +ATOM 3677 C ALA 232 34.190 32.390 50.490 1.00 0.00 C +ATOM 3678 O ALA 232 33.730 31.450 51.110 1.00 0.00 O +ATOM 3679 N GLY 233 33.870 33.630 50.740 1.00 0.00 N +ATOM 3680 HN GLY 233 34.320 34.390 50.280 1.00 0.00 H +ATOM 3681 CA GLY 233 32.930 34.080 51.770 1.00 0.00 C +ATOM 3682 HA1 GLY 233 33.270 33.810 52.760 1.00 0.00 H +ATOM 3683 HA2 GLY 233 32.940 35.148 51.610 1.00 0.00 H +ATOM 3684 C GLY 233 31.520 33.530 51.500 1.00 0.00 C +ATOM 3685 O GLY 233 30.890 33.160 52.450 1.00 0.00 O +ATOM 3686 N TYR 234 31.110 33.360 50.250 1.00 0.00 N +ATOM 3687 HN TYR 234 31.620 33.730 49.478 1.00 0.00 H +ATOM 3688 CA TYR 234 29.830 32.770 49.850 1.00 0.00 C +ATOM 3689 HA TYR 234 29.020 33.140 50.460 1.00 0.00 H +ATOM 3690 CB TYR 234 29.510 33.270 48.430 1.00 0.00 C +ATOM 3691 HB1 TYR 234 29.410 34.358 48.632 1.00 0.00 H +ATOM 3692 HB2 TYR 234 30.320 33.150 47.680 1.00 0.00 H +ATOM 3693 CG TYR 234 28.220 32.800 47.810 1.00 0.00 C +ATOM 3694 CD1 TYR 234 27.080 33.560 47.880 1.00 0.00 C +ATOM 3695 HD1 TYR 234 27.150 34.476 48.448 1.00 0.00 H +ATOM 3696 CE1 TYR 234 25.910 33.230 47.250 1.00 0.00 C +ATOM 3697 HE1 TYR 234 25.052 33.880 47.340 1.00 0.00 H +ATOM 3698 CZ TYR 234 25.880 32.130 46.380 1.00 0.00 C +ATOM 3699 OH TYR 234 24.820 32.010 45.540 1.00 0.00 O +ATOM 3700 HH TYR 234 24.920 31.286 44.918 1.00 0.00 H +ATOM 3701 CD2 TYR 234 28.180 31.620 47.080 1.00 0.00 C +ATOM 3702 HD2 TYR 234 29.182 31.270 46.880 1.00 0.00 H +ATOM 3703 CE2 TYR 234 27.020 31.290 46.340 1.00 0.00 C +ATOM 3704 HE2 TYR 234 27.030 30.478 45.628 1.00 0.00 H +ATOM 3705 C TYR 234 29.650 31.270 50.040 1.00 0.00 C +ATOM 3706 O TYR 234 28.570 30.800 50.450 1.00 0.00 O +ATOM 3707 N ILE 235 30.780 30.540 49.800 1.00 0.00 N +ATOM 3708 HN ILE 235 31.566 30.968 49.362 1.00 0.00 H +ATOM 3709 CA ILE 235 31.070 29.160 50.200 1.00 0.00 C +ATOM 3710 HA ILE 235 30.298 28.528 49.788 1.00 0.00 H +ATOM 3711 CB ILE 235 32.360 28.600 49.610 1.00 0.00 C +ATOM 3712 HB ILE 235 33.140 29.390 49.610 1.00 0.00 H +ATOM 3713 CG2 ILE 235 32.840 27.380 50.400 1.00 0.00 C +ATOM 3714 1HG2 ILE 235 33.680 26.890 49.860 1.00 0.00 H +ATOM 3715 2HG2 ILE 235 33.150 27.600 51.444 1.00 0.00 H +ATOM 3716 3HG2 ILE 235 32.050 26.600 50.360 1.00 0.00 H +ATOM 3717 CG1 ILE 235 32.160 28.250 48.150 1.00 0.00 C +ATOM 3718 1HG1 ILE 235 31.318 27.528 48.220 1.00 0.00 H +ATOM 3719 2HG1 ILE 235 31.730 29.018 47.472 1.00 0.00 H +ATOM 3720 CD ILE 235 33.370 27.640 47.380 1.00 0.00 C +ATOM 3721 HD1 ILE 235 34.200 27.810 48.100 1.00 0.00 H +ATOM 3722 HD2 ILE 235 33.160 26.560 47.220 1.00 0.00 H +ATOM 3723 HD3 ILE 235 33.430 28.152 46.396 1.00 0.00 H +ATOM 3724 C ILE 235 30.990 29.070 51.730 1.00 0.00 C +ATOM 3725 O ILE 235 30.420 28.130 52.260 1.00 0.00 O +ATOM 3726 N GLN 236 31.520 30.050 52.500 1.00 0.00 N +ATOM 3727 HN GLN 236 32.050 30.790 52.090 1.00 0.00 H +ATOM 3728 CA GLN 236 31.550 29.940 53.960 1.00 0.00 C +ATOM 3729 HA GLN 236 31.912 28.946 54.180 1.00 0.00 H +ATOM 3730 CB GLN 236 32.460 31.020 54.510 1.00 0.00 C +ATOM 3731 HB1 GLN 236 33.382 31.110 53.898 1.00 0.00 H +ATOM 3732 HB2 GLN 236 32.050 32.050 54.450 1.00 0.00 H +ATOM 3733 CG GLN 236 32.870 30.860 55.990 1.00 0.00 C +ATOM 3734 HG1 GLN 236 33.440 31.772 56.270 1.00 0.00 H +ATOM 3735 HG2 GLN 236 31.978 30.910 56.652 1.00 0.00 H +ATOM 3736 CD GLN 236 33.770 29.730 56.490 1.00 0.00 C +ATOM 3737 OE1 GLN 236 33.910 29.650 57.700 1.00 0.00 O +ATOM 3738 NE2 GLN 236 34.320 28.910 55.560 1.00 0.00 N +ATOM 3739 1HE2 GLN 236 34.110 29.070 54.596 1.00 0.00 H +ATOM 3740 2HE2 GLN 236 35.104 28.306 55.700 1.00 0.00 H +ATOM 3741 C GLN 236 30.160 30.220 54.460 1.00 0.00 C +ATOM 3742 O GLN 236 29.730 29.690 55.460 1.00 0.00 O +ATOM 3743 N LEU 237 29.410 31.210 53.860 1.00 0.00 N +ATOM 3744 HN LEU 237 29.800 31.780 53.140 1.00 0.00 H +ATOM 3745 CA LEU 237 28.030 31.450 54.190 1.00 0.00 C +ATOM 3746 HA LEU 237 27.990 31.710 55.238 1.00 0.00 H +ATOM 3747 CB LEU 237 27.470 32.640 53.280 1.00 0.00 C +ATOM 3748 HB1 LEU 237 28.020 33.558 53.580 1.00 0.00 H +ATOM 3749 HB2 LEU 237 27.680 32.430 52.210 1.00 0.00 H +ATOM 3750 CG LEU 237 25.970 32.760 53.410 1.00 0.00 C +ATOM 3751 HG LEU 237 25.380 31.820 53.370 1.00 0.00 H +ATOM 3752 CD1 LEU 237 25.670 33.330 54.820 1.00 0.00 C +ATOM 3753 1HD1 LEU 237 25.700 32.530 55.590 1.00 0.00 H +ATOM 3754 2HD1 LEU 237 26.364 34.162 55.068 1.00 0.00 H +ATOM 3755 3HD1 LEU 237 24.618 33.650 54.980 1.00 0.00 H +ATOM 3756 CD2 LEU 237 25.350 33.780 52.450 1.00 0.00 C +ATOM 3757 1HD2 LEU 237 24.250 33.920 52.520 1.00 0.00 H +ATOM 3758 2HD2 LEU 237 25.808 34.786 52.560 1.00 0.00 H +ATOM 3759 3HD2 LEU 237 25.670 33.410 51.452 1.00 0.00 H +ATOM 3760 C LEU 237 27.140 30.230 53.940 1.00 0.00 C +ATOM 3761 O LEU 237 26.370 29.890 54.830 1.00 0.00 O +ATOM 3762 N TRP 238 27.350 29.470 52.870 1.00 0.00 N +ATOM 3763 HN TRP 238 27.986 29.798 52.174 1.00 0.00 H +ATOM 3764 CA TRP 238 26.580 28.250 52.590 1.00 0.00 C +ATOM 3765 HA TRP 238 25.534 28.512 52.570 1.00 0.00 H +ATOM 3766 CB TRP 238 26.900 27.680 51.190 1.00 0.00 C +ATOM 3767 HB1 TRP 238 26.680 28.530 50.510 1.00 0.00 H +ATOM 3768 HB2 TRP 238 28.000 27.570 51.080 1.00 0.00 H +ATOM 3769 CG TRP 238 26.200 26.500 50.680 1.00 0.00 C +ATOM 3770 CD1 TRP 238 25.040 26.700 50.010 1.00 0.00 C +ATOM 3771 HD1 TRP 238 24.638 27.664 49.738 1.00 0.00 H +ATOM 3772 NE1 TRP 238 24.610 25.490 49.560 1.00 0.00 N +ATOM 3773 HE1 TRP 238 23.724 25.260 49.222 1.00 0.00 H +ATOM 3774 CE2 TRP 238 25.510 24.490 49.910 1.00 0.00 C +ATOM 3775 CD2 TRP 238 26.450 25.070 50.790 1.00 0.00 C +ATOM 3776 CE3 TRP 238 27.310 24.270 51.510 1.00 0.00 C +ATOM 3777 HE3 TRP 238 27.858 24.768 52.296 1.00 0.00 H +ATOM 3778 CZ3 TRP 238 27.300 22.920 51.310 1.00 0.00 C +ATOM 3779 HZ3 TRP 238 28.038 22.252 51.728 1.00 0.00 H +ATOM 3780 CZ2 TRP 238 25.430 23.150 49.850 1.00 0.00 C +ATOM 3781 HZ2 TRP 238 24.602 22.702 49.322 1.00 0.00 H +ATOM 3782 CH2 TRP 238 26.360 22.380 50.490 1.00 0.00 C +ATOM 3783 HH2 TRP 238 26.420 21.334 50.228 1.00 0.00 H +ATOM 3784 C TRP 238 26.820 27.230 53.710 1.00 0.00 C +ATOM 3785 O TRP 238 25.910 26.760 54.440 1.00 0.00 O +ATOM 3786 N PHE 239 28.110 26.950 54.050 1.00 0.00 N +ATOM 3787 HN PHE 239 28.848 27.388 53.542 1.00 0.00 H +ATOM 3788 CA PHE 239 28.470 26.010 55.120 1.00 0.00 C +ATOM 3789 HA PHE 239 27.938 25.076 55.010 1.00 0.00 H +ATOM 3790 CB PHE 239 30.000 25.550 54.970 1.00 0.00 C +ATOM 3791 HB1 PHE 239 30.560 26.498 54.820 1.00 0.00 H +ATOM 3792 HB2 PHE 239 30.260 25.050 55.928 1.00 0.00 H +ATOM 3793 CG PHE 239 30.330 24.520 53.970 1.00 0.00 C +ATOM 3794 CD1 PHE 239 29.770 23.240 54.120 1.00 0.00 C +ATOM 3795 HD1 PHE 239 29.130 23.010 54.960 1.00 0.00 H +ATOM 3796 CE1 PHE 239 30.190 22.200 53.320 1.00 0.00 C +ATOM 3797 HE1 PHE 239 29.580 21.310 53.320 1.00 0.00 H +ATOM 3798 CZ PHE 239 31.170 22.380 52.310 1.00 0.00 C +ATOM 3799 HZ PHE 239 31.538 21.484 51.832 1.00 0.00 H +ATOM 3800 CD2 PHE 239 31.230 24.690 52.920 1.00 0.00 C +ATOM 3801 HD2 PHE 239 31.660 25.668 52.760 1.00 0.00 H +ATOM 3802 CE2 PHE 239 31.680 23.670 52.100 1.00 0.00 C +ATOM 3803 HE2 PHE 239 32.418 23.800 51.322 1.00 0.00 H +ATOM 3804 C PHE 239 27.940 26.400 56.490 1.00 0.00 C +ATOM 3805 O PHE 239 27.400 25.600 57.240 1.00 0.00 O +ATOM 3806 N ASP 240 27.960 27.700 56.830 1.00 0.00 N +ATOM 3807 HN ASP 240 28.478 28.368 56.302 1.00 0.00 H +ATOM 3808 CA ASP 240 27.310 28.250 58.070 1.00 0.00 C +ATOM 3809 HA ASP 240 27.568 27.702 58.966 1.00 0.00 H +ATOM 3810 CB ASP 240 27.790 29.700 58.340 1.00 0.00 C +ATOM 3811 HB1 ASP 240 27.760 30.196 57.346 1.00 0.00 H +ATOM 3812 HB2 ASP 240 27.278 30.454 58.974 1.00 0.00 H +ATOM 3813 CG ASP 240 29.210 29.840 58.820 1.00 0.00 C +ATOM 3814 OD1 ASP 240 29.670 28.760 59.310 1.00 0.00 O +ATOM 3815 OD2 ASP 240 29.840 30.930 58.900 1.00 0.00 O +ATOM 3816 C ASP 240 25.820 28.130 58.130 1.00 0.00 C +ATOM 3817 O ASP 240 25.230 27.630 59.090 1.00 0.00 O +ATOM 3818 N THR 241 25.150 28.440 56.980 1.00 0.00 N +ATOM 3819 HN THR 241 25.628 28.848 56.204 1.00 0.00 H +ATOM 3820 CA THR 241 23.670 28.380 56.810 1.00 0.00 C +ATOM 3821 HA THR 241 23.258 28.894 57.666 1.00 0.00 H +ATOM 3822 CB THR 241 23.210 29.120 55.520 1.00 0.00 C +ATOM 3823 HB THR 241 23.560 28.528 54.648 1.00 0.00 H +ATOM 3824 OG1 THR 241 23.620 30.460 55.380 1.00 0.00 O +ATOM 3825 HG1 THR 241 24.550 30.350 55.170 1.00 0.00 H +ATOM 3826 CG2 THR 241 21.650 29.210 55.340 1.00 0.00 C +ATOM 3827 1HG2 THR 241 21.390 29.570 54.320 1.00 0.00 H +ATOM 3828 2HG2 THR 241 21.328 28.164 55.532 1.00 0.00 H +ATOM 3829 3HG2 THR 241 21.198 29.792 56.172 1.00 0.00 H +ATOM 3830 C THR 241 23.230 26.940 56.750 1.00 0.00 C +ATOM 3831 O THR 241 22.170 26.510 57.230 1.00 0.00 O +ATOM 3832 N TYR 242 24.020 26.070 56.160 1.00 0.00 N +ATOM 3833 HN TYR 242 24.760 26.450 55.610 1.00 0.00 H +ATOM 3834 CA TYR 242 23.460 24.710 55.930 1.00 0.00 C +ATOM 3835 HA TYR 242 22.432 24.570 56.230 1.00 0.00 H +ATOM 3836 CB TYR 242 23.350 24.430 54.440 1.00 0.00 C +ATOM 3837 HB1 TYR 242 24.262 24.470 53.808 1.00 0.00 H +ATOM 3838 HB2 TYR 242 22.862 23.452 54.240 1.00 0.00 H +ATOM 3839 CG TYR 242 22.360 25.400 53.800 1.00 0.00 C +ATOM 3840 CD1 TYR 242 21.050 25.650 54.290 1.00 0.00 C +ATOM 3841 HD1 TYR 242 20.730 25.168 55.202 1.00 0.00 H +ATOM 3842 CE1 TYR 242 20.270 26.600 53.560 1.00 0.00 C +ATOM 3843 HE1 TYR 242 19.316 26.882 53.982 1.00 0.00 H +ATOM 3844 CZ TYR 242 20.780 27.200 52.400 1.00 0.00 C +ATOM 3845 OH TYR 242 19.960 28.090 51.740 1.00 0.00 O +ATOM 3846 HH TYR 242 19.080 27.950 52.100 1.00 0.00 H +ATOM 3847 CD2 TYR 242 22.810 26.000 52.620 1.00 0.00 C +ATOM 3848 HD2 TYR 242 23.840 25.840 52.340 1.00 0.00 H +ATOM 3849 CE2 TYR 242 22.020 26.800 51.840 1.00 0.00 C +ATOM 3850 HE2 TYR 242 22.452 27.282 50.976 1.00 0.00 H +ATOM 3851 C TYR 242 24.060 23.550 56.750 1.00 0.00 C +ATOM 3852 O TYR 242 23.500 22.440 56.850 1.00 0.00 O +ATOM 3853 N GLY 243 25.260 23.760 57.380 1.00 0.00 N +ATOM 3854 HN GLY 243 25.842 24.542 57.170 1.00 0.00 H +ATOM 3855 CA GLY 243 25.910 22.780 58.160 1.00 0.00 C +ATOM 3856 HA1 GLY 243 25.572 21.776 57.952 1.00 0.00 H +ATOM 3857 HA2 GLY 243 26.956 22.992 58.000 1.00 0.00 H +ATOM 3858 C GLY 243 25.650 23.010 59.630 1.00 0.00 C +ATOM 3859 O GLY 243 26.640 23.430 60.320 1.00 0.00 O +ATOM 3860 N ASP 244 24.440 22.670 60.130 1.00 0.00 N +ATOM 3861 HN ASP 244 23.678 22.440 59.530 1.00 0.00 H +ATOM 3862 CA ASP 244 24.170 22.410 61.470 1.00 0.00 C +ATOM 3863 HA ASP 244 23.166 22.028 61.370 1.00 0.00 H +ATOM 3864 CB ASP 244 24.910 21.070 61.900 1.00 0.00 C +ATOM 3865 HB1 ASP 244 26.000 21.220 62.050 1.00 0.00 H +ATOM 3866 HB2 ASP 244 24.480 20.720 62.862 1.00 0.00 H +ATOM 3867 CG ASP 244 24.690 19.950 60.950 1.00 0.00 C +ATOM 3868 OD1 ASP 244 23.650 19.950 60.270 1.00 0.00 O +ATOM 3869 OD2 ASP 244 25.370 18.910 61.080 1.00 0.00 O +ATOM 3870 C ASP 244 24.100 23.450 62.590 1.00 0.00 C +ATOM 3871 O ASP 244 24.110 23.110 63.800 1.00 0.00 O +ATOM 3872 N ARG 245 23.990 24.800 62.220 1.00 0.00 N +ATOM 3873 HN ARG 245 23.900 25.062 61.262 1.00 0.00 H +ATOM 3874 CA ARG 245 23.870 25.900 63.100 1.00 0.00 C +ATOM 3875 HA ARG 245 23.220 25.580 63.900 1.00 0.00 H +ATOM 3876 CB ARG 245 25.200 26.530 63.630 1.00 0.00 C +ATOM 3877 HB1 ARG 245 24.930 27.282 64.402 1.00 0.00 H +ATOM 3878 HB2 ARG 245 25.752 25.658 64.042 1.00 0.00 H +ATOM 3879 CG ARG 245 25.980 27.170 62.490 1.00 0.00 C +ATOM 3880 HG1 ARG 245 25.558 26.768 61.544 1.00 0.00 H +ATOM 3881 HG2 ARG 245 25.760 28.238 62.280 1.00 0.00 H +ATOM 3882 CD ARG 245 27.470 26.760 62.610 1.00 0.00 C +ATOM 3883 HD1 ARG 245 27.810 26.660 63.662 1.00 0.00 H +ATOM 3884 HD2 ARG 245 27.640 25.840 62.010 1.00 0.00 H +ATOM 3885 NE ARG 245 28.200 27.880 61.910 1.00 0.00 N +ATOM 3886 HE ARG 245 28.520 27.770 60.970 1.00 0.00 H +ATOM 3887 CZ ARG 245 28.530 29.110 62.530 1.00 0.00 C +ATOM 3888 NH1 ARG 245 28.150 29.410 63.740 1.00 0.00 N +ATOM 3889 1HH1 ARG 245 27.624 28.734 64.256 1.00 0.00 H +ATOM 3890 2HH1 ARG 245 28.150 30.376 63.992 1.00 0.00 H +ATOM 3891 NH2 ARG 245 29.210 29.960 61.830 1.00 0.00 N +ATOM 3892 1HH2 ARG 245 29.604 29.768 60.932 1.00 0.00 H +ATOM 3893 2HH2 ARG 245 29.040 30.908 62.100 1.00 0.00 H +ATOM 3894 C ARG 245 23.160 27.080 62.370 1.00 0.00 C +ATOM 3895 OT1 ARG 245 22.670 26.940 61.250 1.00 0.00 O +ATOM 3896 OT2 ARG 245 23.120 28.170 62.960 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1ail_A.pdb b/data/PDBs/1ail_A.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6f27a9c8c5c9c18243635161681d49348f0e4a66 --- /dev/null +++ b/data/PDBs/1ail_A.pdb @@ -0,0 +1,1179 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 52.146 62.820 52.660 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N MET 1 12.320 37.480 12.740 1.00 0.00 N +ATOM 2 H1 MET 1 11.808 38.382 12.680 1.00 0.00 H +ATOM 3 H2 MET 1 13.276 37.660 12.372 1.00 0.00 H +ATOM 4 H3 MET 1 11.890 36.830 12.050 1.00 0.00 H +ATOM 5 CA MET 1 12.210 37.050 14.180 1.00 0.00 C +ATOM 6 HA MET 1 11.176 36.748 14.250 1.00 0.00 H +ATOM 7 CB MET 1 13.210 35.890 14.490 1.00 0.00 C +ATOM 8 HB1 MET 1 14.226 36.252 14.752 1.00 0.00 H +ATOM 9 HB2 MET 1 12.782 35.372 15.376 1.00 0.00 H +ATOM 10 CG MET 1 13.370 34.840 13.360 1.00 0.00 C +ATOM 11 HG1 MET 1 12.380 34.680 12.880 1.00 0.00 H +ATOM 12 HG2 MET 1 14.136 35.228 12.654 1.00 0.00 H +ATOM 13 SD MET 1 13.810 33.250 14.010 1.00 0.00 S +ATOM 14 CE MET 1 12.260 32.330 14.250 1.00 0.00 C +ATOM 15 HE1 MET 1 12.480 31.272 14.510 1.00 0.00 H +ATOM 16 HE2 MET 1 11.638 32.762 15.062 1.00 0.00 H +ATOM 17 HE3 MET 1 11.594 32.240 13.364 1.00 0.00 H +ATOM 18 C MET 1 12.450 38.200 15.090 1.00 0.00 C +ATOM 19 O MET 1 13.190 39.140 14.740 1.00 0.00 O +ATOM 20 N ASP 2 11.800 38.080 16.260 1.00 0.00 N +ATOM 21 HN ASP 2 11.166 37.344 16.482 1.00 0.00 H +ATOM 22 CA ASP 2 12.040 39.030 17.290 1.00 0.00 C +ATOM 23 HA ASP 2 11.550 39.938 16.970 1.00 0.00 H +ATOM 24 CB ASP 2 11.200 38.770 18.610 1.00 0.00 C +ATOM 25 HB1 ASP 2 11.652 37.946 19.202 1.00 0.00 H +ATOM 26 HB2 ASP 2 11.300 39.704 19.202 1.00 0.00 H +ATOM 27 CG ASP 2 9.760 38.530 18.320 1.00 0.00 C +ATOM 28 OD1 ASP 2 9.150 39.290 17.510 1.00 0.00 O +ATOM 29 OD2 ASP 2 9.130 37.810 19.180 1.00 0.00 O +ATOM 30 C ASP 2 13.440 39.380 17.660 1.00 0.00 C +ATOM 31 O ASP 2 14.310 38.640 18.110 1.00 0.00 O +ATOM 32 N SER 3 13.740 40.630 17.670 1.00 0.00 N +ATOM 33 HN SER 3 13.054 41.298 17.392 1.00 0.00 H +ATOM 34 CA SER 3 15.070 41.180 18.020 1.00 0.00 C +ATOM 35 HA SER 3 15.866 40.838 17.376 1.00 0.00 H +ATOM 36 CB SER 3 15.140 42.730 17.880 1.00 0.00 C +ATOM 37 HB1 SER 3 16.190 43.090 17.910 1.00 0.00 H +ATOM 38 HB2 SER 3 14.750 42.890 16.852 1.00 0.00 H +ATOM 39 OG SER 3 14.280 43.420 18.790 1.00 0.00 O +ATOM 40 HG1 SER 3 14.482 44.306 18.478 1.00 0.00 H +ATOM 41 C SER 3 15.540 40.910 19.400 1.00 0.00 C +ATOM 42 O SER 3 16.750 40.670 19.570 1.00 0.00 O +ATOM 43 N ASN 4 14.690 40.930 20.430 1.00 0.00 N +ATOM 44 HN ASN 4 13.808 41.320 20.180 1.00 0.00 H +ATOM 45 CA ASN 4 15.030 40.490 21.760 1.00 0.00 C +ATOM 46 HA ASN 4 15.954 40.952 22.072 1.00 0.00 H +ATOM 47 CB ASN 4 13.940 40.980 22.770 1.00 0.00 C +ATOM 48 HB1 ASN 4 13.720 42.070 22.760 1.00 0.00 H +ATOM 49 HB2 ASN 4 13.032 40.390 22.520 1.00 0.00 H +ATOM 50 CG ASN 4 14.310 40.720 24.240 1.00 0.00 C +ATOM 51 OD1 ASN 4 15.260 41.390 24.690 1.00 0.00 O +ATOM 52 ND2 ASN 4 13.640 39.810 24.990 1.00 0.00 N +ATOM 53 1HD2 ASN 4 12.950 39.220 24.570 1.00 0.00 H +ATOM 54 2HD2 ASN 4 13.870 39.670 25.952 1.00 0.00 H +ATOM 55 C ASN 4 15.330 39.020 21.910 1.00 0.00 C +ATOM 56 O ASN 4 16.250 38.620 22.580 1.00 0.00 O +ATOM 57 N THR 5 14.570 38.180 21.160 1.00 0.00 N +ATOM 58 HN THR 5 13.972 38.548 20.452 1.00 0.00 H +ATOM 59 CA THR 5 14.820 36.710 21.200 1.00 0.00 C +ATOM 60 HA THR 5 14.770 36.390 22.230 1.00 0.00 H +ATOM 61 CB THR 5 13.800 35.920 20.290 1.00 0.00 C +ATOM 62 HB THR 5 13.700 36.370 19.280 1.00 0.00 H +ATOM 63 OG1 THR 5 12.540 36.040 21.020 1.00 0.00 O +ATOM 64 HG1 THR 5 12.620 35.330 21.660 1.00 0.00 H +ATOM 65 CG2 THR 5 14.040 34.410 20.080 1.00 0.00 C +ATOM 66 1HG2 THR 5 14.290 33.930 21.050 1.00 0.00 H +ATOM 67 2HG2 THR 5 13.172 33.882 19.630 1.00 0.00 H +ATOM 68 3HG2 THR 5 14.852 34.220 19.348 1.00 0.00 H +ATOM 69 C THR 5 16.120 36.320 20.700 1.00 0.00 C +ATOM 70 O THR 5 16.840 35.440 21.280 1.00 0.00 O +ATOM 71 N VAL 6 16.540 36.930 19.530 1.00 0.00 N +ATOM 72 HN VAL 6 16.008 37.542 18.948 1.00 0.00 H +ATOM 73 CA VAL 6 17.940 36.920 19.080 1.00 0.00 C +ATOM 74 HA VAL 6 18.120 35.914 18.732 1.00 0.00 H +ATOM 75 CB VAL 6 18.030 37.770 17.760 1.00 0.00 C +ATOM 76 HB VAL 6 17.618 38.796 17.870 1.00 0.00 H +ATOM 77 CG1 VAL 6 19.450 37.770 17.190 1.00 0.00 C +ATOM 78 1HG1 VAL 6 19.450 38.148 16.144 1.00 0.00 H +ATOM 79 2HG1 VAL 6 20.120 38.430 17.780 1.00 0.00 H +ATOM 80 3HG1 VAL 6 19.880 36.752 17.070 1.00 0.00 H +ATOM 81 CG2 VAL 6 17.100 37.100 16.730 1.00 0.00 C +ATOM 82 1HG2 VAL 6 17.260 37.682 15.798 1.00 0.00 H +ATOM 83 2HG2 VAL 6 17.400 36.048 16.540 1.00 0.00 H +ATOM 84 3HG2 VAL 6 16.074 37.190 17.148 1.00 0.00 H +ATOM 85 C VAL 6 18.930 37.290 20.080 1.00 0.00 C +ATOM 86 O VAL 6 19.750 36.500 20.480 1.00 0.00 O +ATOM 87 N SER 7 18.970 38.510 20.620 1.00 0.00 N +ATOM 88 HN SER 7 18.238 39.150 20.400 1.00 0.00 H +ATOM 89 CA SER 7 19.760 39.080 21.750 1.00 0.00 C +ATOM 90 HA SER 7 20.752 39.270 21.370 1.00 0.00 H +ATOM 91 CB SER 7 19.120 40.470 22.200 1.00 0.00 C +ATOM 92 HB1 SER 7 18.146 40.220 22.672 1.00 0.00 H +ATOM 93 HB2 SER 7 19.754 40.982 22.954 1.00 0.00 H +ATOM 94 OG SER 7 18.800 41.410 21.120 1.00 0.00 O +ATOM 95 HG1 SER 7 17.968 41.220 20.680 1.00 0.00 H +ATOM 96 C SER 7 19.870 38.150 22.990 1.00 0.00 C +ATOM 97 O SER 7 20.930 37.960 23.560 1.00 0.00 O +ATOM 98 N SER 8 18.720 37.560 23.380 1.00 0.00 N +ATOM 99 HN SER 8 17.814 37.818 23.052 1.00 0.00 H +ATOM 100 CA SER 8 18.700 36.560 24.350 1.00 0.00 C +ATOM 101 HA SER 8 19.070 37.050 25.240 1.00 0.00 H +ATOM 102 CB SER 8 17.190 36.300 24.730 1.00 0.00 C +ATOM 103 HB1 SER 8 16.650 35.750 23.930 1.00 0.00 H +ATOM 104 HB2 SER 8 17.220 35.662 25.638 1.00 0.00 H +ATOM 105 OG SER 8 16.470 37.500 24.970 1.00 0.00 O +ATOM 106 HG1 SER 8 16.060 37.830 24.168 1.00 0.00 H +ATOM 107 C SER 8 19.340 35.290 24.070 1.00 0.00 C +ATOM 108 O SER 8 20.100 34.830 24.920 1.00 0.00 O +ATOM 109 N PHE 9 19.140 34.720 22.880 1.00 0.00 N +ATOM 110 HN PHE 9 18.440 35.050 22.250 1.00 0.00 H +ATOM 111 CA PHE 9 19.930 33.590 22.490 1.00 0.00 C +ATOM 112 HA PHE 9 19.620 32.820 23.180 1.00 0.00 H +ATOM 113 CB PHE 9 19.520 33.180 21.030 1.00 0.00 C +ATOM 114 HB1 PHE 9 18.446 32.900 20.980 1.00 0.00 H +ATOM 115 HB2 PHE 9 19.830 34.028 20.382 1.00 0.00 H +ATOM 116 CG PHE 9 20.140 31.930 20.510 1.00 0.00 C +ATOM 117 CD1 PHE 9 20.300 30.800 21.270 1.00 0.00 C +ATOM 118 HD1 PHE 9 19.958 30.850 22.294 1.00 0.00 H +ATOM 119 CE1 PHE 9 20.790 29.590 20.810 1.00 0.00 C +ATOM 120 HE1 PHE 9 20.880 28.702 21.418 1.00 0.00 H +ATOM 121 CZ PHE 9 21.310 29.570 19.540 1.00 0.00 C +ATOM 122 HZ PHE 9 21.826 28.656 19.282 1.00 0.00 H +ATOM 123 CD2 PHE 9 20.680 31.870 19.210 1.00 0.00 C +ATOM 124 HD2 PHE 9 20.690 32.824 18.704 1.00 0.00 H +ATOM 125 CE2 PHE 9 21.280 30.710 18.690 1.00 0.00 C +ATOM 126 HE2 PHE 9 21.580 30.610 17.658 1.00 0.00 H +ATOM 127 C PHE 9 21.420 33.880 22.500 1.00 0.00 C +ATOM 128 O PHE 9 22.230 33.010 22.870 1.00 0.00 O +ATOM 129 N GLN 10 21.800 35.060 22.020 1.00 0.00 N +ATOM 130 HN GLN 10 21.130 35.700 21.650 1.00 0.00 H +ATOM 131 CA GLN 10 23.200 35.490 21.840 1.00 0.00 C +ATOM 132 HA GLN 10 23.568 34.662 21.252 1.00 0.00 H +ATOM 133 CB GLN 10 23.450 36.780 21.070 1.00 0.00 C +ATOM 134 HB1 GLN 10 23.040 37.628 21.660 1.00 0.00 H +ATOM 135 HB2 GLN 10 24.510 37.110 21.120 1.00 0.00 H +ATOM 136 CG GLN 10 23.050 36.690 19.540 1.00 0.00 C +ATOM 137 HG1 GLN 10 23.860 36.200 18.960 1.00 0.00 H +ATOM 138 HG2 GLN 10 22.042 36.250 19.380 1.00 0.00 H +ATOM 139 CD GLN 10 22.920 38.180 19.100 1.00 0.00 C +ATOM 140 OE1 GLN 10 23.120 39.140 19.870 1.00 0.00 O +ATOM 141 NE2 GLN 10 22.680 38.420 17.790 1.00 0.00 N +ATOM 142 1HE2 GLN 10 22.640 37.588 17.238 1.00 0.00 H +ATOM 143 2HE2 GLN 10 22.320 39.322 17.550 1.00 0.00 H +ATOM 144 C GLN 10 24.020 35.540 23.150 1.00 0.00 C +ATOM 145 O GLN 10 25.110 35.000 23.310 1.00 0.00 O +ATOM 146 N VAL 11 23.430 36.220 24.170 1.00 0.00 N +ATOM 147 HN VAL 11 22.546 36.668 24.060 1.00 0.00 H +ATOM 148 CA VAL 11 23.970 36.310 25.540 1.00 0.00 C +ATOM 149 HA VAL 11 25.024 36.510 25.420 1.00 0.00 H +ATOM 150 CB VAL 11 23.310 37.340 26.450 1.00 0.00 C +ATOM 151 HB VAL 11 22.206 37.250 26.370 1.00 0.00 H +ATOM 152 CG1 VAL 11 23.770 37.180 27.880 1.00 0.00 C +ATOM 153 1HG1 VAL 11 23.370 36.240 28.320 1.00 0.00 H +ATOM 154 2HG1 VAL 11 24.874 37.220 27.990 1.00 0.00 H +ATOM 155 3HG1 VAL 11 23.390 38.040 28.470 1.00 0.00 H +ATOM 156 CG2 VAL 11 23.700 38.720 25.930 1.00 0.00 C +ATOM 157 1HG2 VAL 11 23.452 39.506 26.676 1.00 0.00 H +ATOM 158 2HG2 VAL 11 24.786 38.810 25.710 1.00 0.00 H +ATOM 159 3HG2 VAL 11 23.218 38.990 24.966 1.00 0.00 H +ATOM 160 C VAL 11 24.000 34.910 26.250 1.00 0.00 C +ATOM 161 O VAL 11 25.050 34.610 26.900 1.00 0.00 O +ATOM 162 N ASP 12 22.960 34.040 26.150 1.00 0.00 N +ATOM 163 HN ASP 12 22.094 34.408 25.822 1.00 0.00 H +ATOM 164 CA ASP 12 23.030 32.640 26.500 1.00 0.00 C +ATOM 165 HA ASP 12 23.350 32.610 27.530 1.00 0.00 H +ATOM 166 CB ASP 12 21.620 32.010 26.480 1.00 0.00 C +ATOM 167 HB1 ASP 12 21.192 32.508 25.584 1.00 0.00 H +ATOM 168 HB2 ASP 12 21.650 30.938 26.190 1.00 0.00 H +ATOM 169 CG ASP 12 20.640 32.350 27.560 1.00 0.00 C +ATOM 170 OD1 ASP 12 21.040 33.120 28.470 1.00 0.00 O +ATOM 171 OD2 ASP 12 19.480 31.850 27.520 1.00 0.00 O +ATOM 172 C ASP 12 24.050 31.830 25.690 1.00 0.00 C +ATOM 173 O ASP 12 24.690 30.980 26.330 1.00 0.00 O +ATOM 174 N CYS 13 24.350 32.060 24.370 1.00 0.00 N +ATOM 175 HN CYS 13 23.748 32.652 23.838 1.00 0.00 H +ATOM 176 CA CYS 13 25.520 31.420 23.740 1.00 0.00 C +ATOM 177 HA CYS 13 25.450 30.346 23.830 1.00 0.00 H +ATOM 178 CB CYS 13 25.490 31.700 22.210 1.00 0.00 C +ATOM 179 HB1 CYS 13 25.320 32.790 22.080 1.00 0.00 H +ATOM 180 HB2 CYS 13 26.462 31.480 21.720 1.00 0.00 H +ATOM 181 SG CYS 13 24.140 30.770 21.330 1.00 0.00 S +ATOM 182 HG1 CYS 13 23.056 31.292 21.882 1.00 0.00 H +ATOM 183 C CYS 13 26.910 31.870 24.270 1.00 0.00 C +ATOM 184 O CYS 13 27.920 31.180 24.290 1.00 0.00 O +ATOM 185 N PHE 14 27.070 33.140 24.630 1.00 0.00 N +ATOM 186 HN PHE 14 26.358 33.812 24.450 1.00 0.00 H +ATOM 187 CA PHE 14 28.160 33.710 25.390 1.00 0.00 C +ATOM 188 HA PHE 14 29.086 33.442 24.902 1.00 0.00 H +ATOM 189 CB PHE 14 28.190 35.260 25.390 1.00 0.00 C +ATOM 190 HB1 PHE 14 28.200 35.548 24.316 1.00 0.00 H +ATOM 191 HB2 PHE 14 27.370 35.820 25.890 1.00 0.00 H +ATOM 192 CG PHE 14 29.540 35.710 25.910 1.00 0.00 C +ATOM 193 CD1 PHE 14 30.720 35.430 25.240 1.00 0.00 C +ATOM 194 HD1 PHE 14 30.620 35.070 24.228 1.00 0.00 H +ATOM 195 CE1 PHE 14 31.990 35.630 25.830 1.00 0.00 C +ATOM 196 HE1 PHE 14 32.884 35.610 25.226 1.00 0.00 H +ATOM 197 CZ PHE 14 32.110 36.060 27.140 1.00 0.00 C +ATOM 198 HZ PHE 14 33.074 36.110 27.622 1.00 0.00 H +ATOM 199 CD2 PHE 14 29.640 36.110 27.230 1.00 0.00 C +ATOM 200 HD2 PHE 14 28.780 36.160 27.880 1.00 0.00 H +ATOM 201 CE2 PHE 14 30.920 36.240 27.880 1.00 0.00 C +ATOM 202 HE2 PHE 14 30.910 36.548 28.916 1.00 0.00 H +ATOM 203 C PHE 14 28.330 33.200 26.800 1.00 0.00 C +ATOM 204 O PHE 14 29.340 32.580 27.100 1.00 0.00 O +ATOM 205 N LEU 15 27.270 33.250 27.680 1.00 0.00 N +ATOM 206 HN LEU 15 26.466 33.812 27.500 1.00 0.00 H +ATOM 207 CA LEU 15 27.370 32.630 28.970 1.00 0.00 C +ATOM 208 HA LEU 15 28.290 33.000 29.400 1.00 0.00 H +ATOM 209 CB LEU 15 26.200 33.190 29.890 1.00 0.00 C +ATOM 210 HB1 LEU 15 25.532 33.650 29.132 1.00 0.00 H +ATOM 211 HB2 LEU 15 25.634 32.406 30.436 1.00 0.00 H +ATOM 212 CG LEU 15 26.620 34.350 30.840 1.00 0.00 C +ATOM 213 HG LEU 15 25.710 34.730 31.350 1.00 0.00 H +ATOM 214 CD1 LEU 15 27.560 33.910 31.920 1.00 0.00 C +ATOM 215 1HD1 LEU 15 28.552 33.660 31.488 1.00 0.00 H +ATOM 216 2HD1 LEU 15 27.768 34.854 32.468 1.00 0.00 H +ATOM 217 3HD1 LEU 15 27.060 33.180 32.590 1.00 0.00 H +ATOM 218 CD2 LEU 15 27.280 35.400 30.010 1.00 0.00 C +ATOM 219 1HD2 LEU 15 27.350 36.350 30.580 1.00 0.00 H +ATOM 220 2HD2 LEU 15 28.318 35.060 29.810 1.00 0.00 H +ATOM 221 3HD2 LEU 15 26.740 35.610 29.062 1.00 0.00 H +ATOM 222 C LEU 15 27.430 31.090 28.990 1.00 0.00 C +ATOM 223 O LEU 15 27.980 30.470 29.890 1.00 0.00 O +ATOM 224 N TRP 16 26.910 30.370 27.990 1.00 0.00 N +ATOM 225 HN TRP 16 26.382 30.878 27.312 1.00 0.00 H +ATOM 226 CA TRP 16 27.290 28.960 27.870 1.00 0.00 C +ATOM 227 HA TRP 16 26.960 28.520 28.800 1.00 0.00 H +ATOM 228 CB TRP 16 26.490 28.240 26.780 1.00 0.00 C +ATOM 229 HB1 TRP 16 25.450 28.600 26.930 1.00 0.00 H +ATOM 230 HB2 TRP 16 26.868 28.688 25.836 1.00 0.00 H +ATOM 231 CG TRP 16 26.590 26.690 26.820 1.00 0.00 C +ATOM 232 CD1 TRP 16 25.720 25.830 27.560 1.00 0.00 C +ATOM 233 HD1 TRP 16 24.894 26.308 28.068 1.00 0.00 H +ATOM 234 NE1 TRP 16 26.180 24.600 27.500 1.00 0.00 N +ATOM 235 HE1 TRP 16 25.840 23.832 27.998 1.00 0.00 H +ATOM 236 CE2 TRP 16 27.270 24.520 26.640 1.00 0.00 C +ATOM 237 CD2 TRP 16 27.560 25.900 26.250 1.00 0.00 C +ATOM 238 CE3 TRP 16 28.680 26.140 25.430 1.00 0.00 C +ATOM 239 HE3 TRP 16 28.960 27.150 25.170 1.00 0.00 H +ATOM 240 CZ3 TRP 16 29.520 25.090 25.120 1.00 0.00 C +ATOM 241 HZ3 TRP 16 30.336 25.150 24.414 1.00 0.00 H +ATOM 242 CZ2 TRP 16 28.130 23.470 26.360 1.00 0.00 C +ATOM 243 HZ2 TRP 16 28.100 22.446 26.702 1.00 0.00 H +ATOM 244 CH2 TRP 16 29.250 23.790 25.540 1.00 0.00 C +ATOM 245 HH2 TRP 16 29.890 22.950 25.310 1.00 0.00 H +ATOM 246 C TRP 16 28.800 28.740 27.680 1.00 0.00 C +ATOM 247 O TRP 16 29.480 27.940 28.370 1.00 0.00 O +ATOM 248 N HIS 17 29.450 29.590 26.820 1.00 0.00 N +ATOM 249 HN HIS 17 28.948 30.214 26.226 1.00 0.00 H +ATOM 250 CA HIS 17 30.900 29.600 26.620 1.00 0.00 C +ATOM 251 HA HIS 17 31.232 28.606 26.358 1.00 0.00 H +ATOM 252 CB HIS 17 31.300 30.590 25.510 1.00 0.00 C +ATOM 253 HB1 HIS 17 30.798 30.320 24.556 1.00 0.00 H +ATOM 254 HB2 HIS 17 30.880 31.612 25.630 1.00 0.00 H +ATOM 255 ND1 HIS 17 33.470 29.600 24.660 1.00 0.00 N +ATOM 256 CG HIS 17 32.800 30.660 25.300 1.00 0.00 C +ATOM 257 CE1 HIS 17 34.700 30.050 24.480 1.00 0.00 C +ATOM 258 HE1 HIS 17 35.548 29.592 23.972 1.00 0.00 H +ATOM 259 NE2 HIS 17 34.870 31.280 24.980 1.00 0.00 N +ATOM 260 HE2 HIS 17 35.682 31.862 25.010 1.00 0.00 H +ATOM 261 CD2 HIS 17 33.700 31.670 25.520 1.00 0.00 C +ATOM 262 HD2 HIS 17 33.650 32.574 26.112 1.00 0.00 H +ATOM 263 C HIS 17 31.730 29.950 27.860 1.00 0.00 C +ATOM 264 O HIS 17 32.720 29.360 28.080 1.00 0.00 O +ATOM 265 N VAL 18 31.310 30.990 28.700 1.00 0.00 N +ATOM 266 HN VAL 18 30.542 31.540 28.380 1.00 0.00 H +ATOM 267 CA VAL 18 31.900 31.270 30.010 1.00 0.00 C +ATOM 268 HA VAL 18 32.940 31.530 29.870 1.00 0.00 H +ATOM 269 CB VAL 18 31.300 32.500 30.650 1.00 0.00 C +ATOM 270 HB VAL 18 30.204 32.420 30.810 1.00 0.00 H +ATOM 271 CG1 VAL 18 32.030 32.790 32.060 1.00 0.00 C +ATOM 272 1HG1 VAL 18 33.132 32.890 31.960 1.00 0.00 H +ATOM 273 2HG1 VAL 18 31.610 33.738 32.460 1.00 0.00 H +ATOM 274 3HG1 VAL 18 31.720 32.072 32.848 1.00 0.00 H +ATOM 275 CG2 VAL 18 31.500 33.750 29.760 1.00 0.00 C +ATOM 276 1HG2 VAL 18 30.876 33.670 28.844 1.00 0.00 H +ATOM 277 2HG2 VAL 18 31.170 34.708 30.218 1.00 0.00 H +ATOM 278 3HG2 VAL 18 32.540 33.880 29.390 1.00 0.00 H +ATOM 279 C VAL 18 31.760 30.090 31.000 1.00 0.00 C +ATOM 280 O VAL 18 32.710 29.690 31.700 1.00 0.00 O +ATOM 281 N ARG 19 30.610 29.410 31.100 1.00 0.00 N +ATOM 282 HN ARG 19 29.828 29.690 30.548 1.00 0.00 H +ATOM 283 CA ARG 19 30.380 28.160 31.930 1.00 0.00 C +ATOM 284 HA ARG 19 30.710 28.350 32.940 1.00 0.00 H +ATOM 285 CB ARG 19 28.830 28.000 32.060 1.00 0.00 C +ATOM 286 HB1 ARG 19 28.430 27.880 31.030 1.00 0.00 H +ATOM 287 HB2 ARG 19 28.710 27.068 32.652 1.00 0.00 H +ATOM 288 CG ARG 19 28.060 29.040 32.860 1.00 0.00 C +ATOM 289 HG1 ARG 19 28.540 29.130 33.858 1.00 0.00 H +ATOM 290 HG2 ARG 19 28.318 30.012 32.384 1.00 0.00 H +ATOM 291 CD ARG 19 26.550 28.820 32.970 1.00 0.00 C +ATOM 292 HD1 ARG 19 26.470 27.952 33.658 1.00 0.00 H +ATOM 293 HD2 ARG 19 25.932 29.666 33.338 1.00 0.00 H +ATOM 294 NE ARG 19 26.050 28.540 31.550 1.00 0.00 N +ATOM 295 HE ARG 19 25.920 29.346 30.972 1.00 0.00 H +ATOM 296 CZ ARG 19 25.190 27.540 31.270 1.00 0.00 C +ATOM 297 NH1 ARG 19 25.080 26.460 31.920 1.00 0.00 N +ATOM 298 1HH1 ARG 19 25.740 26.050 32.550 1.00 0.00 H +ATOM 299 2HH1 ARG 19 24.202 26.002 31.780 1.00 0.00 H +ATOM 300 NH2 ARG 19 24.330 27.770 30.300 1.00 0.00 N +ATOM 301 1HH2 ARG 19 24.210 28.714 29.992 1.00 0.00 H +ATOM 302 2HH2 ARG 19 23.510 27.200 30.330 1.00 0.00 H +ATOM 303 C ARG 19 31.100 26.940 31.500 1.00 0.00 C +ATOM 304 O ARG 19 31.600 26.280 32.370 1.00 0.00 O +ATOM 305 N LYS 20 31.250 26.660 30.170 1.00 0.00 N +ATOM 306 HN LYS 20 30.780 27.330 29.600 1.00 0.00 H +ATOM 307 CA LYS 20 32.280 25.780 29.550 1.00 0.00 C +ATOM 308 HA LYS 20 32.040 24.748 29.760 1.00 0.00 H +ATOM 309 CB LYS 20 32.270 25.780 28.020 1.00 0.00 C +ATOM 310 HB1 LYS 20 31.376 25.388 27.488 1.00 0.00 H +ATOM 311 HB2 LYS 20 32.460 26.800 27.620 1.00 0.00 H +ATOM 312 CG LYS 20 33.330 24.730 27.450 1.00 0.00 C +ATOM 313 HG1 LYS 20 34.322 25.000 27.870 1.00 0.00 H +ATOM 314 HG2 LYS 20 32.952 23.734 27.768 1.00 0.00 H +ATOM 315 CD LYS 20 33.510 24.720 25.950 1.00 0.00 C +ATOM 316 HD1 LYS 20 32.520 24.560 25.470 1.00 0.00 H +ATOM 317 HD2 LYS 20 33.818 25.722 25.582 1.00 0.00 H +ATOM 318 CE LYS 20 34.520 23.730 25.350 1.00 0.00 C +ATOM 319 HE1 LYS 20 34.370 22.720 25.790 1.00 0.00 H +ATOM 320 HE2 LYS 20 34.510 23.590 24.248 1.00 0.00 H +ATOM 321 NZ LYS 20 35.900 24.230 25.620 1.00 0.00 N +ATOM 322 HZ1 LYS 20 36.640 23.630 25.200 1.00 0.00 H +ATOM 323 HZ2 LYS 20 35.980 25.208 25.278 1.00 0.00 H +ATOM 324 HZ3 LYS 20 36.070 24.250 26.646 1.00 0.00 H +ATOM 325 C LYS 20 33.720 26.060 30.150 1.00 0.00 C +ATOM 326 O LYS 20 34.440 25.130 30.580 1.00 0.00 O +ATOM 327 N GLN 21 34.130 27.330 30.180 1.00 0.00 N +ATOM 328 HN GLN 21 33.542 28.036 29.792 1.00 0.00 H +ATOM 329 CA GLN 21 35.500 27.710 30.640 1.00 0.00 C +ATOM 330 HA GLN 21 36.202 27.018 30.198 1.00 0.00 H +ATOM 331 CB GLN 21 35.890 29.220 30.380 1.00 0.00 C +ATOM 332 HB1 GLN 21 35.252 29.888 30.998 1.00 0.00 H +ATOM 333 HB2 GLN 21 36.928 29.300 30.764 1.00 0.00 H +ATOM 334 CG GLN 21 36.000 29.770 28.940 1.00 0.00 C +ATOM 335 HG1 GLN 21 34.940 29.880 28.630 1.00 0.00 H +ATOM 336 HG2 GLN 21 36.418 30.784 28.760 1.00 0.00 H +ATOM 337 CD GLN 21 36.590 28.770 27.880 1.00 0.00 C +ATOM 338 OE1 GLN 21 37.800 28.500 27.790 1.00 0.00 O +ATOM 339 NE2 GLN 21 35.700 28.100 27.120 1.00 0.00 N +ATOM 340 1HE2 GLN 21 34.762 28.448 27.120 1.00 0.00 H +ATOM 341 2HE2 GLN 21 35.920 27.672 26.244 1.00 0.00 H +ATOM 342 C GLN 21 35.750 27.460 32.150 1.00 0.00 C +ATOM 343 O GLN 21 36.670 26.780 32.530 1.00 0.00 O +ATOM 344 N VAL 22 34.720 27.700 33.020 1.00 0.00 N +ATOM 345 HN VAL 22 33.916 28.102 32.588 1.00 0.00 H +ATOM 346 CA VAL 22 34.770 27.340 34.420 1.00 0.00 C +ATOM 347 HA VAL 22 35.540 27.910 34.920 1.00 0.00 H +ATOM 348 CB VAL 22 33.370 27.630 35.080 1.00 0.00 C +ATOM 349 HB VAL 22 32.582 27.032 34.572 1.00 0.00 H +ATOM 350 CG1 VAL 22 33.370 27.270 36.640 1.00 0.00 C +ATOM 351 1HG1 VAL 22 33.450 26.174 36.800 1.00 0.00 H +ATOM 352 2HG1 VAL 22 34.302 27.722 37.042 1.00 0.00 H +ATOM 353 3HG1 VAL 22 32.570 27.610 37.330 1.00 0.00 H +ATOM 354 CG2 VAL 22 33.040 29.150 34.970 1.00 0.00 C +ATOM 355 1HG2 VAL 22 32.200 29.450 35.630 1.00 0.00 H +ATOM 356 2HG2 VAL 22 33.954 29.656 35.348 1.00 0.00 H +ATOM 357 3HG2 VAL 22 32.960 29.410 33.892 1.00 0.00 H +ATOM 358 C VAL 22 34.970 25.870 34.610 1.00 0.00 C +ATOM 359 O VAL 22 35.700 25.450 35.520 1.00 0.00 O +ATOM 360 N VAL 23 34.340 25.020 33.840 1.00 0.00 N +ATOM 361 HN VAL 23 33.712 25.398 33.164 1.00 0.00 H +ATOM 362 CA VAL 23 34.530 23.590 33.750 1.00 0.00 C +ATOM 363 HA VAL 23 34.480 23.322 34.796 1.00 0.00 H +ATOM 364 CB VAL 23 33.420 23.000 32.910 1.00 0.00 C +ATOM 365 HB VAL 23 33.250 23.522 31.946 1.00 0.00 H +ATOM 366 CG1 VAL 23 33.790 21.490 32.570 1.00 0.00 C +ATOM 367 1HG1 VAL 23 32.860 21.050 32.150 1.00 0.00 H +ATOM 368 2HG1 VAL 23 34.618 21.540 31.832 1.00 0.00 H +ATOM 369 3HG1 VAL 23 34.100 20.970 33.500 1.00 0.00 H +ATOM 370 CG2 VAL 23 32.120 22.958 33.830 1.00 0.00 C +ATOM 371 1HG2 VAL 23 31.354 22.204 33.552 1.00 0.00 H +ATOM 372 2HG2 VAL 23 32.430 22.590 34.830 1.00 0.00 H +ATOM 373 3HG2 VAL 23 31.686 23.968 33.992 1.00 0.00 H +ATOM 374 C VAL 23 35.870 23.070 33.360 1.00 0.00 C +ATOM 375 O VAL 23 36.420 22.230 34.060 1.00 0.00 O +ATOM 376 N ASP 24 36.380 23.590 32.310 1.00 0.00 N +ATOM 377 HN ASP 24 35.880 24.210 31.710 1.00 0.00 H +ATOM 378 CA ASP 24 37.670 23.390 31.830 1.00 0.00 C +ATOM 379 HA ASP 24 37.760 22.314 31.780 1.00 0.00 H +ATOM 380 CB ASP 24 37.820 24.160 30.460 1.00 0.00 C +ATOM 381 HB1 ASP 24 37.432 25.188 30.630 1.00 0.00 H +ATOM 382 HB2 ASP 24 38.862 24.130 30.078 1.00 0.00 H +ATOM 383 CG ASP 24 37.080 23.450 29.370 1.00 0.00 C +ATOM 384 OD1 ASP 24 36.870 22.240 29.540 1.00 0.00 O +ATOM 385 OD2 ASP 24 36.870 24.050 28.270 1.00 0.00 O +ATOM 386 C ASP 24 38.750 23.790 32.880 1.00 0.00 C +ATOM 387 O ASP 24 39.840 23.240 32.950 1.00 0.00 O +ATOM 388 N GLN 25 38.430 24.830 33.700 1.00 0.00 N +ATOM 389 HN GLN 25 37.608 25.392 33.650 1.00 0.00 H +ATOM 390 CA GLN 25 39.320 25.170 34.870 1.00 0.00 C +ATOM 391 HA GLN 25 40.358 25.100 34.580 1.00 0.00 H +ATOM 392 CB GLN 25 39.040 26.660 35.340 1.00 0.00 C +ATOM 393 HB1 GLN 25 37.938 26.790 35.410 1.00 0.00 H +ATOM 394 HB2 GLN 25 39.500 26.970 36.302 1.00 0.00 H +ATOM 395 CG GLN 25 39.450 27.750 34.310 1.00 0.00 C +ATOM 396 HG1 GLN 25 38.812 27.820 33.402 1.00 0.00 H +ATOM 397 HG2 GLN 25 39.480 28.808 34.650 1.00 0.00 H +ATOM 398 CD GLN 25 40.880 27.490 33.900 1.00 0.00 C +ATOM 399 OE1 GLN 25 41.830 27.760 34.650 1.00 0.00 O +ATOM 400 NE2 GLN 25 41.060 27.010 32.680 1.00 0.00 N +ATOM 401 1HE2 GLN 25 40.278 26.960 32.058 1.00 0.00 H +ATOM 402 2HE2 GLN 25 42.014 27.030 32.382 1.00 0.00 H +ATOM 403 C GLN 25 39.120 24.290 36.070 1.00 0.00 C +ATOM 404 O GLN 25 39.940 24.320 36.970 1.00 0.00 O +ATOM 405 N GLU 26 38.020 23.540 36.180 1.00 0.00 N +ATOM 406 HN GLU 26 37.324 23.640 35.474 1.00 0.00 H +ATOM 407 CA GLU 26 37.680 22.700 37.310 1.00 0.00 C +ATOM 408 HA GLU 26 36.834 22.096 37.018 1.00 0.00 H +ATOM 409 CB GLU 26 38.750 21.650 37.650 1.00 0.00 C +ATOM 410 HB1 GLU 26 39.654 22.098 38.118 1.00 0.00 H +ATOM 411 HB2 GLU 26 38.270 21.000 38.410 1.00 0.00 H +ATOM 412 CG GLU 26 39.200 20.800 36.490 1.00 0.00 C +ATOM 413 HG1 GLU 26 38.370 20.470 35.830 1.00 0.00 H +ATOM 414 HG2 GLU 26 39.822 21.312 35.726 1.00 0.00 H +ATOM 415 CD GLU 26 39.920 19.590 36.970 1.00 0.00 C +ATOM 416 OE1 GLU 26 41.140 19.640 36.960 1.00 0.00 O +ATOM 417 OE2 GLU 26 39.290 18.640 37.470 1.00 0.00 O +ATOM 418 C GLU 26 37.150 23.440 38.520 1.00 0.00 C +ATOM 419 O GLU 26 37.390 23.070 39.640 1.00 0.00 O +ATOM 420 N LEU 27 36.380 24.520 38.320 1.00 0.00 N +ATOM 421 HN LEU 27 36.250 24.790 37.370 1.00 0.00 H +ATOM 422 CA LEU 27 35.810 25.390 39.340 1.00 0.00 C +ATOM 423 HA LEU 27 36.468 25.210 40.178 1.00 0.00 H +ATOM 424 CB LEU 27 36.080 26.910 39.040 1.00 0.00 C +ATOM 425 HB1 LEU 27 35.618 27.072 38.044 1.00 0.00 H +ATOM 426 HB2 LEU 27 35.568 27.642 39.702 1.00 0.00 H +ATOM 427 CG LEU 27 37.550 27.300 38.760 1.00 0.00 C +ATOM 428 HG LEU 27 37.900 26.590 37.980 1.00 0.00 H +ATOM 429 CD1 LEU 27 37.740 28.690 38.110 1.00 0.00 C +ATOM 430 1HD1 LEU 27 37.328 29.464 38.792 1.00 0.00 H +ATOM 431 2HD1 LEU 27 38.820 28.880 37.930 1.00 0.00 H +ATOM 432 3HD1 LEU 27 37.220 28.690 37.128 1.00 0.00 H +ATOM 433 CD2 LEU 27 38.450 27.230 39.970 1.00 0.00 C +ATOM 434 1HD2 LEU 27 38.120 27.880 40.810 1.00 0.00 H +ATOM 435 2HD2 LEU 27 38.470 26.172 40.310 1.00 0.00 H +ATOM 436 3HD2 LEU 27 39.478 27.580 39.730 1.00 0.00 H +ATOM 437 C LEU 27 34.380 25.150 39.720 1.00 0.00 C +ATOM 438 O LEU 27 33.900 25.490 40.800 1.00 0.00 O +ATOM 439 N GLY 28 33.610 24.450 38.830 1.00 0.00 N +ATOM 440 HN GLY 28 34.112 24.088 38.048 1.00 0.00 H +ATOM 441 CA GLY 28 32.180 24.250 39.010 1.00 0.00 C +ATOM 442 HA1 GLY 28 31.742 25.036 39.608 1.00 0.00 H +ATOM 443 HA2 GLY 28 31.770 24.240 38.010 1.00 0.00 H +ATOM 444 C GLY 28 31.820 22.950 39.690 1.00 0.00 C +ATOM 445 O GLY 28 32.480 21.980 39.410 1.00 0.00 O +ATOM 446 N ASP 29 30.770 22.950 40.490 1.00 0.00 N +ATOM 447 HN ASP 29 30.278 23.774 40.762 1.00 0.00 H +ATOM 448 CA ASP 29 30.380 21.780 41.240 1.00 0.00 C +ATOM 449 HA ASP 29 31.282 21.308 41.600 1.00 0.00 H +ATOM 450 CB ASP 29 29.460 22.170 42.440 1.00 0.00 C +ATOM 451 HB1 ASP 29 29.882 23.102 42.872 1.00 0.00 H +ATOM 452 HB2 ASP 29 28.394 22.310 42.160 1.00 0.00 H +ATOM 453 CG ASP 29 29.440 21.120 43.530 1.00 0.00 C +ATOM 454 OD1 ASP 29 30.090 20.050 43.390 1.00 0.00 O +ATOM 455 OD2 ASP 29 28.820 21.440 44.570 1.00 0.00 O +ATOM 456 C ASP 29 29.680 20.820 40.340 1.00 0.00 C +ATOM 457 O ASP 29 29.340 21.170 39.220 1.00 0.00 O +ATOM 458 N ALA 30 29.350 19.600 40.790 1.00 0.00 N +ATOM 459 HN ALA 30 29.710 19.420 41.702 1.00 0.00 H +ATOM 460 CA ALA 30 28.680 18.490 40.060 1.00 0.00 C +ATOM 461 HA ALA 30 29.304 18.138 39.254 1.00 0.00 H +ATOM 462 CB ALA 30 28.520 17.250 41.030 1.00 0.00 C +ATOM 463 HB1 ALA 30 29.554 16.992 41.348 1.00 0.00 H +ATOM 464 HB2 ALA 30 27.978 17.350 41.994 1.00 0.00 H +ATOM 465 HB3 ALA 30 28.170 16.438 40.358 1.00 0.00 H +ATOM 466 C ALA 30 27.300 18.790 39.470 1.00 0.00 C +ATOM 467 O ALA 30 27.000 18.230 38.430 1.00 0.00 O +ATOM 468 N PRO 31 26.400 19.590 40.110 1.00 0.00 N +ATOM 469 CD PRO 31 26.310 19.890 41.550 1.00 0.00 C +ATOM 470 HD1 PRO 31 26.928 20.806 41.660 1.00 0.00 H +ATOM 471 HD2 PRO 31 26.686 19.126 42.264 1.00 0.00 H +ATOM 472 CA PRO 31 25.190 20.120 39.370 1.00 0.00 C +ATOM 473 HA PRO 31 24.688 19.248 38.978 1.00 0.00 H +ATOM 474 CB PRO 31 24.350 20.780 40.510 1.00 0.00 C +ATOM 475 HB1 PRO 31 24.602 21.846 40.692 1.00 0.00 H +ATOM 476 HB2 PRO 31 23.264 20.660 40.310 1.00 0.00 H +ATOM 477 CG PRO 31 24.800 20.060 41.750 1.00 0.00 C +ATOM 478 HG1 PRO 31 24.570 20.682 42.642 1.00 0.00 H +ATOM 479 HG2 PRO 31 24.312 19.062 41.780 1.00 0.00 H +ATOM 480 C PRO 31 25.480 21.140 38.350 1.00 0.00 C +ATOM 481 O PRO 31 24.820 21.220 37.330 1.00 0.00 O +ATOM 482 N PHE 32 26.450 22.010 38.600 1.00 0.00 N +ATOM 483 HN PHE 32 26.810 22.080 39.528 1.00 0.00 H +ATOM 484 CA PHE 32 26.900 23.000 37.600 1.00 0.00 C +ATOM 485 HA PHE 32 26.092 23.678 37.370 1.00 0.00 H +ATOM 486 CB PHE 32 27.900 24.050 38.140 1.00 0.00 C +ATOM 487 HB1 PHE 32 27.408 24.532 39.012 1.00 0.00 H +ATOM 488 HB2 PHE 32 28.824 23.558 38.512 1.00 0.00 H +ATOM 489 CG PHE 32 28.420 25.120 37.240 1.00 0.00 C +ATOM 490 CD1 PHE 32 27.830 26.380 37.240 1.00 0.00 C +ATOM 491 HD1 PHE 32 26.880 26.490 37.740 1.00 0.00 H +ATOM 492 CE1 PHE 32 28.340 27.380 36.370 1.00 0.00 C +ATOM 493 HE1 PHE 32 27.842 28.326 36.220 1.00 0.00 H +ATOM 494 CZ PHE 32 29.530 27.190 35.630 1.00 0.00 C +ATOM 495 HZ PHE 32 30.052 27.992 35.128 1.00 0.00 H +ATOM 496 CD2 PHE 32 29.570 24.900 36.480 1.00 0.00 C +ATOM 497 HD2 PHE 32 30.020 23.918 36.500 1.00 0.00 H +ATOM 498 CE2 PHE 32 30.160 25.910 35.710 1.00 0.00 C +ATOM 499 HE2 PHE 32 31.020 25.830 35.060 1.00 0.00 H +ATOM 500 C PHE 32 27.270 22.390 36.290 1.00 0.00 C +ATOM 501 O PHE 32 26.780 22.790 35.240 1.00 0.00 O +ATOM 502 N LEU 33 28.050 21.330 36.230 1.00 0.00 N +ATOM 503 HN LEU 33 28.492 21.068 37.084 1.00 0.00 H +ATOM 504 CA LEU 33 28.350 20.580 35.000 1.00 0.00 C +ATOM 505 HA LEU 33 28.808 21.276 34.314 1.00 0.00 H +ATOM 506 CB LEU 33 29.400 19.500 35.560 1.00 0.00 C +ATOM 507 HB1 LEU 33 30.250 20.070 35.990 1.00 0.00 H +ATOM 508 HB2 LEU 33 28.898 18.908 36.354 1.00 0.00 H +ATOM 509 CG LEU 33 29.930 18.410 34.560 1.00 0.00 C +ATOM 510 HG LEU 33 29.048 17.858 34.170 1.00 0.00 H +ATOM 511 CD1 LEU 33 30.740 19.050 33.460 1.00 0.00 C +ATOM 512 1HD1 LEU 33 30.570 18.550 32.482 1.00 0.00 H +ATOM 513 2HD1 LEU 33 30.460 20.118 33.330 1.00 0.00 H +ATOM 514 3HD1 LEU 33 31.820 19.070 33.720 1.00 0.00 H +ATOM 515 CD2 LEU 33 30.820 17.390 35.270 1.00 0.00 C +ATOM 516 1HD2 LEU 33 30.440 17.000 36.238 1.00 0.00 H +ATOM 517 2HD2 LEU 33 31.060 16.520 34.620 1.00 0.00 H +ATOM 518 3HD2 LEU 33 31.810 17.840 35.500 1.00 0.00 H +ATOM 519 C LEU 33 27.090 19.960 34.380 1.00 0.00 C +ATOM 520 O LEU 33 26.890 19.830 33.150 1.00 0.00 O +ATOM 521 N ASP 34 26.100 19.490 35.210 1.00 0.00 N +ATOM 522 HN ASP 34 26.170 19.480 36.204 1.00 0.00 H +ATOM 523 CA ASP 34 24.860 18.910 34.720 1.00 0.00 C +ATOM 524 HA ASP 34 25.120 18.180 33.968 1.00 0.00 H +ATOM 525 CB ASP 34 24.110 18.170 35.930 1.00 0.00 C +ATOM 526 HB1 ASP 34 24.804 18.110 36.794 1.00 0.00 H +ATOM 527 HB2 ASP 34 23.260 18.770 36.320 1.00 0.00 H +ATOM 528 CG ASP 34 23.600 16.840 35.470 1.00 0.00 C +ATOM 529 OD1 ASP 34 24.120 16.180 34.520 1.00 0.00 O +ATOM 530 OD2 ASP 34 22.620 16.350 36.110 1.00 0.00 O +ATOM 531 C ASP 34 23.940 19.960 34.030 1.00 0.00 C +ATOM 532 O ASP 34 23.380 19.680 32.970 1.00 0.00 O +ATOM 533 N ARG 35 23.960 21.190 34.590 1.00 0.00 N +ATOM 534 HN ARG 35 24.258 21.488 35.494 1.00 0.00 H +ATOM 535 CA ARG 35 23.290 22.340 33.960 1.00 0.00 C +ATOM 536 HA ARG 35 22.276 22.040 33.740 1.00 0.00 H +ATOM 537 CB ARG 35 23.320 23.540 34.960 1.00 0.00 C +ATOM 538 HB1 ARG 35 24.386 23.610 35.268 1.00 0.00 H +ATOM 539 HB2 ARG 35 23.110 24.542 34.530 1.00 0.00 H +ATOM 540 CG ARG 35 22.490 23.490 36.290 1.00 0.00 C +ATOM 541 HG1 ARG 35 21.424 23.630 36.010 1.00 0.00 H +ATOM 542 HG2 ARG 35 22.682 22.444 36.612 1.00 0.00 H +ATOM 543 CD ARG 35 22.990 24.540 37.250 1.00 0.00 C +ATOM 544 HD1 ARG 35 24.094 24.620 37.170 1.00 0.00 H +ATOM 545 HD2 ARG 35 22.650 25.560 36.970 1.00 0.00 H +ATOM 546 NE ARG 35 22.550 24.130 38.620 1.00 0.00 N +ATOM 547 HE ARG 35 21.840 23.430 38.690 1.00 0.00 H +ATOM 548 CZ ARG 35 23.050 24.500 39.810 1.00 0.00 C +ATOM 549 NH1 ARG 35 23.980 25.440 39.880 1.00 0.00 N +ATOM 550 1HH1 ARG 35 24.290 25.870 39.032 1.00 0.00 H +ATOM 551 2HH1 ARG 35 23.970 25.970 40.728 1.00 0.00 H +ATOM 552 NH2 ARG 35 22.540 24.050 40.980 1.00 0.00 N +ATOM 553 1HH2 ARG 35 21.786 23.396 40.930 1.00 0.00 H +ATOM 554 2HH2 ARG 35 23.138 24.240 41.758 1.00 0.00 H +ATOM 555 C ARG 35 23.870 22.590 32.560 1.00 0.00 C +ATOM 556 O ARG 35 23.130 22.850 31.590 1.00 0.00 O +ATOM 557 N LEU 36 25.210 22.550 32.470 1.00 0.00 N +ATOM 558 HN LEU 36 25.688 22.240 33.288 1.00 0.00 H +ATOM 559 CA LEU 36 25.860 22.810 31.160 1.00 0.00 C +ATOM 560 HA LEU 36 25.498 23.754 30.778 1.00 0.00 H +ATOM 561 CB LEU 36 27.410 22.820 31.480 1.00 0.00 C +ATOM 562 HB1 LEU 36 27.690 23.450 32.350 1.00 0.00 H +ATOM 563 HB2 LEU 36 27.758 21.846 31.888 1.00 0.00 H +ATOM 564 CG LEU 36 28.340 23.310 30.290 1.00 0.00 C +ATOM 565 HG LEU 36 28.052 22.802 29.344 1.00 0.00 H +ATOM 566 CD1 LEU 36 28.180 24.850 30.080 1.00 0.00 C +ATOM 567 1HD1 LEU 36 28.852 25.200 29.268 1.00 0.00 H +ATOM 568 2HD1 LEU 36 27.118 25.150 29.960 1.00 0.00 H +ATOM 569 3HD1 LEU 36 28.618 25.408 30.936 1.00 0.00 H +ATOM 570 CD2 LEU 36 29.850 22.980 30.430 1.00 0.00 C +ATOM 571 1HD2 LEU 36 30.328 23.428 29.532 1.00 0.00 H +ATOM 572 2HD2 LEU 36 30.370 23.320 31.350 1.00 0.00 H +ATOM 573 3HD2 LEU 36 30.020 21.882 30.460 1.00 0.00 H +ATOM 574 C LEU 36 25.460 21.760 30.120 1.00 0.00 C +ATOM 575 O LEU 36 25.160 22.150 28.970 1.00 0.00 O +ATOM 576 N ARG 37 25.420 20.520 30.530 1.00 0.00 N +ATOM 577 HN ARG 37 25.810 20.400 31.440 1.00 0.00 H +ATOM 578 CA ARG 37 24.980 19.310 29.770 1.00 0.00 C +ATOM 579 HA ARG 37 25.642 19.120 28.938 1.00 0.00 H +ATOM 580 CB ARG 37 25.180 17.910 30.490 1.00 0.00 C +ATOM 581 HB1 ARG 37 24.570 17.870 31.418 1.00 0.00 H +ATOM 582 HB2 ARG 37 24.840 17.060 29.860 1.00 0.00 H +ATOM 583 CG ARG 37 26.670 17.740 30.740 1.00 0.00 C +ATOM 584 HG1 ARG 37 27.138 17.362 29.806 1.00 0.00 H +ATOM 585 HG2 ARG 37 27.210 18.672 31.010 1.00 0.00 H +ATOM 586 CD ARG 37 27.050 16.940 31.910 1.00 0.00 C +ATOM 587 HD1 ARG 37 28.100 17.060 32.250 1.00 0.00 H +ATOM 588 HD2 ARG 37 26.452 17.170 32.818 1.00 0.00 H +ATOM 589 NE ARG 37 26.790 15.530 31.510 1.00 0.00 N +ATOM 590 HE ARG 37 26.660 15.370 30.532 1.00 0.00 H +ATOM 591 CZ ARG 37 26.840 14.530 32.410 1.00 0.00 C +ATOM 592 NH1 ARG 37 26.720 14.740 33.730 1.00 0.00 N +ATOM 593 1HH1 ARG 37 26.166 15.516 34.032 1.00 0.00 H +ATOM 594 2HH1 ARG 37 26.442 13.848 34.088 1.00 0.00 H +ATOM 595 NH2 ARG 37 26.840 13.310 32.030 1.00 0.00 N +ATOM 596 1HH2 ARG 37 26.960 13.060 31.070 1.00 0.00 H +ATOM 597 2HH2 ARG 37 26.880 12.510 32.630 1.00 0.00 H +ATOM 598 C ARG 37 23.550 19.450 29.260 1.00 0.00 C +ATOM 599 O ARG 37 23.190 19.020 28.140 1.00 0.00 O +ATOM 600 N ARG 38 22.640 20.010 30.090 1.00 0.00 N +ATOM 601 HN ARG 38 22.860 20.210 31.042 1.00 0.00 H +ATOM 602 CA ARG 38 21.250 20.180 29.660 1.00 0.00 C +ATOM 603 HA ARG 38 20.958 19.326 29.068 1.00 0.00 H +ATOM 604 CB ARG 38 20.270 20.460 30.830 1.00 0.00 C +ATOM 605 HB1 ARG 38 20.500 21.330 31.480 1.00 0.00 H +ATOM 606 HB2 ARG 38 19.198 20.470 30.540 1.00 0.00 H +ATOM 607 CG ARG 38 20.230 19.240 31.810 1.00 0.00 C +ATOM 608 HG1 ARG 38 21.214 18.928 32.222 1.00 0.00 H +ATOM 609 HG2 ARG 38 19.616 19.572 32.674 1.00 0.00 H +ATOM 610 CD ARG 38 19.660 17.910 31.160 1.00 0.00 C +ATOM 611 HD1 ARG 38 18.598 17.880 30.832 1.00 0.00 H +ATOM 612 HD2 ARG 38 20.276 17.512 30.326 1.00 0.00 H +ATOM 613 NE ARG 38 19.710 16.860 32.220 1.00 0.00 N +ATOM 614 HE ARG 38 19.900 17.180 33.148 1.00 0.00 H +ATOM 615 CZ ARG 38 19.560 15.600 31.980 1.00 0.00 C +ATOM 616 NH1 ARG 38 19.320 14.960 30.840 1.00 0.00 N +ATOM 617 1HH1 ARG 38 19.250 15.500 30.000 1.00 0.00 H +ATOM 618 2HH1 ARG 38 19.020 14.008 30.800 1.00 0.00 H +ATOM 619 NH2 ARG 38 19.420 14.820 33.050 1.00 0.00 N +ATOM 620 1HH2 ARG 38 19.470 15.250 33.952 1.00 0.00 H +ATOM 621 2HH2 ARG 38 19.580 13.840 32.940 1.00 0.00 H +ATOM 622 C ARG 38 21.160 21.400 28.670 1.00 0.00 C +ATOM 623 O ARG 38 20.470 21.320 27.630 1.00 0.00 O +ATOM 624 N ASP 39 21.840 22.540 28.950 1.00 0.00 N +ATOM 625 HN ASP 39 22.470 22.590 29.720 1.00 0.00 H +ATOM 626 CA ASP 39 21.630 23.740 28.250 1.00 0.00 C +ATOM 627 HA ASP 39 20.594 24.040 28.200 1.00 0.00 H +ATOM 628 CB ASP 39 22.420 24.900 28.880 1.00 0.00 C +ATOM 629 HB1 ASP 39 23.408 24.510 29.210 1.00 0.00 H +ATOM 630 HB2 ASP 39 22.440 25.744 28.158 1.00 0.00 H +ATOM 631 CG ASP 39 21.680 25.360 30.100 1.00 0.00 C +ATOM 632 OD1 ASP 39 20.410 25.440 30.130 1.00 0.00 O +ATOM 633 OD2 ASP 39 22.390 25.790 31.070 1.00 0.00 O +ATOM 634 C ASP 39 22.100 23.690 26.840 1.00 0.00 C +ATOM 635 O ASP 39 21.470 24.340 26.010 1.00 0.00 O +ATOM 636 N GLN 40 23.180 22.900 26.510 1.00 0.00 N +ATOM 637 HN GLN 40 23.570 22.400 27.280 1.00 0.00 H +ATOM 638 CA GLN 40 23.650 22.740 25.130 1.00 0.00 C +ATOM 639 HA GLN 40 23.690 23.770 24.810 1.00 0.00 H +ATOM 640 CB GLN 40 25.070 21.980 25.030 1.00 0.00 C +ATOM 641 HB1 GLN 40 25.428 21.840 23.986 1.00 0.00 H +ATOM 642 HB2 GLN 40 25.876 22.564 25.524 1.00 0.00 H +ATOM 643 CG GLN 40 25.050 20.650 25.750 1.00 0.00 C +ATOM 644 HG1 GLN 40 24.680 20.680 26.798 1.00 0.00 H +ATOM 645 HG2 GLN 40 24.380 20.030 25.120 1.00 0.00 H +ATOM 646 CD GLN 40 26.390 19.910 25.750 1.00 0.00 C +ATOM 647 OE1 GLN 40 26.810 19.310 26.760 1.00 0.00 O +ATOM 648 NE2 GLN 40 27.090 19.960 24.620 1.00 0.00 N +ATOM 649 1HE2 GLN 40 26.710 20.562 23.918 1.00 0.00 H +ATOM 650 2HE2 GLN 40 28.046 19.702 24.760 1.00 0.00 H +ATOM 651 C GLN 40 22.670 22.050 24.200 1.00 0.00 C +ATOM 652 O GLN 40 22.520 22.490 23.020 1.00 0.00 O +ATOM 653 N LYS 41 21.930 21.010 24.720 1.00 0.00 N +ATOM 654 HN LYS 41 22.080 20.810 25.684 1.00 0.00 H +ATOM 655 CA LYS 41 20.820 20.440 23.920 1.00 0.00 C +ATOM 656 HA LYS 41 21.258 20.152 22.976 1.00 0.00 H +ATOM 657 CB LYS 41 20.040 19.410 24.810 1.00 0.00 C +ATOM 658 HB1 LYS 41 19.370 19.980 25.490 1.00 0.00 H +ATOM 659 HB2 LYS 41 19.422 18.882 24.052 1.00 0.00 H +ATOM 660 CG LYS 41 20.900 18.350 25.480 1.00 0.00 C +ATOM 661 HG1 LYS 41 21.490 18.810 26.300 1.00 0.00 H +ATOM 662 HG2 LYS 41 20.104 17.792 26.018 1.00 0.00 H +ATOM 663 CD LYS 41 21.870 17.540 24.570 1.00 0.00 C +ATOM 664 HD1 LYS 41 21.248 16.968 23.848 1.00 0.00 H +ATOM 665 HD2 LYS 41 22.510 18.210 23.960 1.00 0.00 H +ATOM 666 CE LYS 41 22.760 16.620 25.450 1.00 0.00 C +ATOM 667 HE1 LYS 41 23.300 17.280 26.160 1.00 0.00 H +ATOM 668 HE2 LYS 41 22.020 15.940 25.920 1.00 0.00 H +ATOM 669 NZ LYS 41 23.630 15.760 24.550 1.00 0.00 N +ATOM 670 HZ1 LYS 41 24.080 15.048 25.160 1.00 0.00 H +ATOM 671 HZ2 LYS 41 23.030 15.150 23.960 1.00 0.00 H +ATOM 672 HZ3 LYS 41 24.244 16.446 24.066 1.00 0.00 H +ATOM 673 C LYS 41 19.830 21.520 23.590 1.00 0.00 C +ATOM 674 O LYS 41 19.320 21.570 22.440 1.00 0.00 O +ATOM 675 N SER 42 19.440 22.280 24.580 1.00 0.00 N +ATOM 676 HN SER 42 19.910 22.270 25.460 1.00 0.00 H +ATOM 677 CA SER 42 18.460 23.350 24.460 1.00 0.00 C +ATOM 678 HA SER 42 17.542 23.000 24.010 1.00 0.00 H +ATOM 679 CB SER 42 18.060 23.820 25.920 1.00 0.00 C +ATOM 680 HB1 SER 42 17.770 22.972 26.578 1.00 0.00 H +ATOM 681 HB2 SER 42 18.966 24.264 26.384 1.00 0.00 H +ATOM 682 OG SER 42 17.060 24.820 25.850 1.00 0.00 O +ATOM 683 HG1 SER 42 16.246 24.328 25.720 1.00 0.00 H +ATOM 684 C SER 42 18.890 24.530 23.550 1.00 0.00 C +ATOM 685 O SER 42 18.090 25.100 22.810 1.00 0.00 O +ATOM 686 N LEU 43 20.170 24.910 23.550 1.00 0.00 N +ATOM 687 HN LEU 43 20.762 24.358 24.132 1.00 0.00 H +ATOM 688 CA LEU 43 20.860 25.810 22.650 1.00 0.00 C +ATOM 689 HA LEU 43 20.262 26.706 22.580 1.00 0.00 H +ATOM 690 CB LEU 43 22.260 26.050 23.140 1.00 0.00 C +ATOM 691 HB1 LEU 43 22.620 25.022 23.360 1.00 0.00 H +ATOM 692 HB2 LEU 43 22.890 26.630 22.430 1.00 0.00 H +ATOM 693 CG LEU 43 22.410 26.990 24.310 1.00 0.00 C +ATOM 694 HG LEU 43 21.812 26.640 25.178 1.00 0.00 H +ATOM 695 CD1 LEU 43 23.850 27.000 24.770 1.00 0.00 C +ATOM 696 1HD1 LEU 43 24.478 27.548 24.034 1.00 0.00 H +ATOM 697 2HD1 LEU 43 23.940 27.630 25.680 1.00 0.00 H +ATOM 698 3HD1 LEU 43 24.292 26.008 25.000 1.00 0.00 H +ATOM 699 CD2 LEU 43 21.920 28.420 24.200 1.00 0.00 C +ATOM 700 1HD2 LEU 43 22.370 28.940 23.328 1.00 0.00 H +ATOM 701 2HD2 LEU 43 20.830 28.288 24.028 1.00 0.00 H +ATOM 702 3HD2 LEU 43 22.030 29.008 25.136 1.00 0.00 H +ATOM 703 C LEU 43 20.910 25.360 21.220 1.00 0.00 C +ATOM 704 O LEU 43 20.780 26.100 20.240 1.00 0.00 O +ATOM 705 N ARG 44 21.180 24.040 20.950 1.00 0.00 N +ATOM 706 HN ARG 44 21.550 23.420 21.638 1.00 0.00 H +ATOM 707 CA ARG 44 21.170 23.490 19.610 1.00 0.00 C +ATOM 708 HA ARG 44 21.708 24.218 19.022 1.00 0.00 H +ATOM 709 CB ARG 44 22.050 22.150 19.540 1.00 0.00 C +ATOM 710 HB1 ARG 44 21.680 21.410 20.280 1.00 0.00 H +ATOM 711 HB2 ARG 44 21.990 21.732 18.512 1.00 0.00 H +ATOM 712 CG ARG 44 23.570 22.190 19.800 1.00 0.00 C +ATOM 713 HG1 ARG 44 23.830 22.490 20.838 1.00 0.00 H +ATOM 714 HG2 ARG 44 24.028 21.182 19.700 1.00 0.00 H +ATOM 715 CD ARG 44 24.430 23.120 18.810 1.00 0.00 C +ATOM 716 HD1 ARG 44 24.280 22.600 17.840 1.00 0.00 H +ATOM 717 HD2 ARG 44 24.078 24.174 18.780 1.00 0.00 H +ATOM 718 NE ARG 44 25.860 23.020 19.110 1.00 0.00 N +ATOM 719 HE ARG 44 26.432 22.328 18.668 1.00 0.00 H +ATOM 720 CZ ARG 44 26.530 23.880 19.870 1.00 0.00 C +ATOM 721 NH1 ARG 44 25.860 24.600 20.740 1.00 0.00 N +ATOM 722 1HH1 ARG 44 25.012 24.122 20.970 1.00 0.00 H +ATOM 723 2HH1 ARG 44 26.272 25.042 21.536 1.00 0.00 H +ATOM 724 NH2 ARG 44 27.840 23.920 19.880 1.00 0.00 N +ATOM 725 1HH2 ARG 44 28.348 23.492 19.132 1.00 0.00 H +ATOM 726 2HH2 ARG 44 28.310 24.640 20.390 1.00 0.00 H +ATOM 727 C ARG 44 19.740 23.410 19.090 1.00 0.00 C +ATOM 728 O ARG 44 19.540 23.540 17.860 1.00 0.00 O +ATOM 729 N GLY 45 18.740 23.170 19.970 1.00 0.00 N +ATOM 730 HN GLY 45 19.070 22.730 20.802 1.00 0.00 H +ATOM 731 CA GLY 45 17.250 23.230 19.600 1.00 0.00 C +ATOM 732 HA1 GLY 45 17.060 22.680 18.690 1.00 0.00 H +ATOM 733 HA2 GLY 45 16.750 22.960 20.518 1.00 0.00 H +ATOM 734 C GLY 45 16.950 24.590 19.240 1.00 0.00 C +ATOM 735 O GLY 45 16.430 24.850 18.160 1.00 0.00 O +ATOM 736 N ARG 46 17.300 25.620 20.060 1.00 0.00 N +ATOM 737 HN ARG 46 17.762 25.430 20.922 1.00 0.00 H +ATOM 738 CA ARG 46 17.070 26.960 19.640 1.00 0.00 C +ATOM 739 HA ARG 46 16.022 26.970 19.380 1.00 0.00 H +ATOM 740 CB ARG 46 17.490 27.970 20.790 1.00 0.00 C +ATOM 741 HB1 ARG 46 18.500 27.760 21.200 1.00 0.00 H +ATOM 742 HB2 ARG 46 17.390 28.990 20.360 1.00 0.00 H +ATOM 743 CG ARG 46 16.470 27.950 21.940 1.00 0.00 C +ATOM 744 HG1 ARG 46 15.476 28.060 21.458 1.00 0.00 H +ATOM 745 HG2 ARG 46 16.470 26.986 22.492 1.00 0.00 H +ATOM 746 CD ARG 46 16.460 29.200 22.810 1.00 0.00 C +ATOM 747 HD1 ARG 46 16.732 30.086 22.196 1.00 0.00 H +ATOM 748 HD2 ARG 46 15.456 29.340 23.262 1.00 0.00 H +ATOM 749 NE ARG 46 17.560 29.090 23.850 1.00 0.00 N +ATOM 750 HE ARG 46 17.992 28.206 24.020 1.00 0.00 H +ATOM 751 CZ ARG 46 17.960 30.070 24.630 1.00 0.00 C +ATOM 752 NH1 ARG 46 17.560 31.300 24.470 1.00 0.00 N +ATOM 753 1HH1 ARG 46 16.694 31.410 23.982 1.00 0.00 H +ATOM 754 2HH1 ARG 46 17.610 31.802 25.334 1.00 0.00 H +ATOM 755 NH2 ARG 46 18.780 29.780 25.640 1.00 0.00 N +ATOM 756 1HH2 ARG 46 19.050 28.842 25.860 1.00 0.00 H +ATOM 757 2HH2 ARG 46 18.970 30.532 26.272 1.00 0.00 H +ATOM 758 C ARG 46 17.770 27.430 18.340 1.00 0.00 C +ATOM 759 O ARG 46 17.200 28.030 17.440 1.00 0.00 O +ATOM 760 N GLY 47 19.030 26.990 18.160 1.00 0.00 N +ATOM 761 HN GLY 47 19.520 26.550 18.910 1.00 0.00 H +ATOM 762 CA GLY 47 19.840 27.450 17.020 1.00 0.00 C +ATOM 763 HA1 GLY 47 19.800 28.528 17.060 1.00 0.00 H +ATOM 764 HA2 GLY 47 20.834 27.058 17.180 1.00 0.00 H +ATOM 765 C GLY 47 19.290 26.890 15.730 1.00 0.00 C +ATOM 766 O GLY 47 19.210 27.630 14.770 1.00 0.00 O +ATOM 767 N SER 48 18.780 25.660 15.760 1.00 0.00 N +ATOM 768 HN SER 48 18.850 25.070 16.560 1.00 0.00 H +ATOM 769 CA SER 48 18.080 24.960 14.670 1.00 0.00 C +ATOM 770 HA SER 48 18.678 25.030 13.774 1.00 0.00 H +ATOM 771 CB SER 48 17.990 23.470 14.890 1.00 0.00 C +ATOM 772 HB1 SER 48 17.612 23.340 15.926 1.00 0.00 H +ATOM 773 HB2 SER 48 17.380 22.920 14.140 1.00 0.00 H +ATOM 774 OG SER 48 19.270 22.800 14.730 1.00 0.00 O +ATOM 775 HG1 SER 48 19.548 22.730 13.814 1.00 0.00 H +ATOM 776 C SER 48 16.720 25.500 14.370 1.00 0.00 C +ATOM 777 O SER 48 16.370 25.620 13.180 1.00 0.00 O +ATOM 778 N THR 49 15.870 25.900 15.340 1.00 0.00 N +ATOM 779 HN THR 49 16.060 25.770 16.310 1.00 0.00 H +ATOM 780 CA THR 49 14.540 26.500 15.060 1.00 0.00 C +ATOM 781 HA THR 49 14.098 25.928 14.258 1.00 0.00 H +ATOM 782 CB THR 49 13.590 26.330 16.180 1.00 0.00 C +ATOM 783 HB THR 49 13.350 25.268 16.400 1.00 0.00 H +ATOM 784 OG1 THR 49 12.370 26.900 15.880 1.00 0.00 O +ATOM 785 HG1 THR 49 11.958 26.288 15.268 1.00 0.00 H +ATOM 786 CG2 THR 49 13.920 26.920 17.500 1.00 0.00 C +ATOM 787 1HG2 THR 49 14.976 26.668 17.732 1.00 0.00 H +ATOM 788 2HG2 THR 49 13.790 28.022 17.530 1.00 0.00 H +ATOM 789 3HG2 THR 49 13.248 26.548 18.302 1.00 0.00 H +ATOM 790 C THR 49 14.640 27.940 14.500 1.00 0.00 C +ATOM 791 O THR 49 13.970 28.250 13.500 1.00 0.00 O +ATOM 792 N LEU 50 15.450 28.840 15.090 1.00 0.00 N +ATOM 793 HN LEU 50 15.890 28.600 15.952 1.00 0.00 H +ATOM 794 CA LEU 50 15.670 30.200 14.650 1.00 0.00 C +ATOM 795 HA LEU 50 14.674 30.588 14.500 1.00 0.00 H +ATOM 796 CB LEU 50 16.320 31.090 15.810 1.00 0.00 C +ATOM 797 HB1 LEU 50 17.340 30.660 15.920 1.00 0.00 H +ATOM 798 HB2 LEU 50 16.220 32.146 15.478 1.00 0.00 H +ATOM 799 CG LEU 50 15.710 31.110 17.250 1.00 0.00 C +ATOM 800 HG LEU 50 15.710 30.034 17.528 1.00 0.00 H +ATOM 801 CD1 LEU 50 16.590 32.060 18.070 1.00 0.00 C +ATOM 802 1HD1 LEU 50 17.672 31.850 17.930 1.00 0.00 H +ATOM 803 2HD1 LEU 50 16.340 33.090 17.740 1.00 0.00 H +ATOM 804 3HD1 LEU 50 16.392 32.020 19.164 1.00 0.00 H +ATOM 805 CD2 LEU 50 14.210 31.550 17.240 1.00 0.00 C +ATOM 806 1HD2 LEU 50 13.550 31.010 16.530 1.00 0.00 H +ATOM 807 2HD2 LEU 50 13.742 31.480 18.246 1.00 0.00 H +ATOM 808 3HD2 LEU 50 14.040 32.564 16.818 1.00 0.00 H +ATOM 809 C LEU 50 16.570 30.390 13.420 1.00 0.00 C +ATOM 810 O LEU 50 16.500 31.480 12.880 1.00 0.00 O +ATOM 811 N GLY 51 17.310 29.310 13.100 1.00 0.00 N +ATOM 812 HN GLY 51 17.260 28.534 13.724 1.00 0.00 H +ATOM 813 CA GLY 51 18.280 29.240 12.000 1.00 0.00 C +ATOM 814 HA1 GLY 51 18.520 28.202 11.820 1.00 0.00 H +ATOM 815 HA2 GLY 51 17.862 29.608 11.074 1.00 0.00 H +ATOM 816 C GLY 51 19.470 30.080 12.180 1.00 0.00 C +ATOM 817 O GLY 51 20.060 30.530 11.180 1.00 0.00 O +ATOM 818 N LEU 52 20.010 30.230 13.470 1.00 0.00 N +ATOM 819 HN LEU 52 19.462 29.720 14.128 1.00 0.00 H +ATOM 820 CA LEU 52 21.080 31.040 13.990 1.00 0.00 C +ATOM 821 HA LEU 52 21.340 31.820 13.290 1.00 0.00 H +ATOM 822 CB LEU 52 20.550 31.800 15.250 1.00 0.00 C +ATOM 823 HB1 LEU 52 20.030 31.080 15.920 1.00 0.00 H +ATOM 824 HB2 LEU 52 21.488 32.110 15.758 1.00 0.00 H +ATOM 825 CG LEU 52 19.620 32.970 14.990 1.00 0.00 C +ATOM 826 HG LEU 52 18.644 32.522 14.702 1.00 0.00 H +ATOM 827 CD1 LEU 52 19.450 33.870 16.180 1.00 0.00 C +ATOM 828 1HD1 LEU 52 20.342 34.502 16.380 1.00 0.00 H +ATOM 829 2HD1 LEU 52 18.594 34.548 15.970 1.00 0.00 H +ATOM 830 3HD1 LEU 52 19.170 33.250 17.060 1.00 0.00 H +ATOM 831 CD2 LEU 52 20.120 33.810 13.760 1.00 0.00 C +ATOM 832 1HD2 LEU 52 19.770 33.218 12.888 1.00 0.00 H +ATOM 833 2HD2 LEU 52 19.648 34.816 13.770 1.00 0.00 H +ATOM 834 3HD2 LEU 52 21.202 34.040 13.670 1.00 0.00 H +ATOM 835 C LEU 52 22.280 30.110 14.170 1.00 0.00 C +ATOM 836 O LEU 52 22.200 28.940 14.580 1.00 0.00 O +ATOM 837 N ASN 53 23.470 30.650 13.810 1.00 0.00 N +ATOM 838 HN ASN 53 23.410 31.592 13.490 1.00 0.00 H +ATOM 839 CA ASN 53 24.760 30.030 13.930 1.00 0.00 C +ATOM 840 HA ASN 53 24.610 28.962 13.880 1.00 0.00 H +ATOM 841 CB ASN 53 25.700 30.640 12.850 1.00 0.00 C +ATOM 842 HB1 ASN 53 25.290 30.500 11.828 1.00 0.00 H +ATOM 843 HB2 ASN 53 25.700 31.738 13.020 1.00 0.00 H +ATOM 844 CG ASN 53 27.140 30.180 12.900 1.00 0.00 C +ATOM 845 OD1 ASN 53 28.010 30.610 13.680 1.00 0.00 O +ATOM 846 ND2 ASN 53 27.520 29.160 12.050 1.00 0.00 N +ATOM 847 1HD2 ASN 53 26.906 28.868 11.316 1.00 0.00 H +ATOM 848 2HD2 ASN 53 28.476 28.878 11.970 1.00 0.00 H +ATOM 849 C ASN 53 25.360 30.310 15.380 1.00 0.00 C +ATOM 850 O ASN 53 25.650 31.500 15.780 1.00 0.00 O +ATOM 851 N ILE 54 25.520 29.220 16.130 1.00 0.00 N +ATOM 852 HN ILE 54 25.240 28.300 15.870 1.00 0.00 H +ATOM 853 CA ILE 54 26.010 29.300 17.520 1.00 0.00 C +ATOM 854 HA ILE 54 25.328 29.992 17.992 1.00 0.00 H +ATOM 855 CB ILE 54 25.970 27.970 18.260 1.00 0.00 C +ATOM 856 HB ILE 54 26.282 27.296 17.434 1.00 0.00 H +ATOM 857 CG2 ILE 54 26.960 27.790 19.500 1.00 0.00 C +ATOM 858 1HG2 ILE 54 26.840 26.728 19.800 1.00 0.00 H +ATOM 859 2HG2 ILE 54 28.020 28.050 19.290 1.00 0.00 H +ATOM 860 3HG2 ILE 54 26.570 28.458 20.298 1.00 0.00 H +ATOM 861 CG1 ILE 54 24.490 27.700 18.820 1.00 0.00 C +ATOM 862 1HG1 ILE 54 24.390 27.212 19.814 1.00 0.00 H +ATOM 863 2HG1 ILE 54 24.108 28.736 18.940 1.00 0.00 H +ATOM 864 CD ILE 54 23.740 26.950 17.710 1.00 0.00 C +ATOM 865 HD1 ILE 54 22.730 26.590 18.000 1.00 0.00 H +ATOM 866 HD2 ILE 54 23.650 27.508 16.754 1.00 0.00 H +ATOM 867 HD3 ILE 54 24.330 26.032 17.500 1.00 0.00 H +ATOM 868 C ILE 54 27.380 30.010 17.840 1.00 0.00 C +ATOM 869 O ILE 54 27.600 30.800 18.730 1.00 0.00 O +ATOM 870 N GLU 55 28.410 29.720 17.010 1.00 0.00 N +ATOM 871 HN GLU 55 28.390 28.982 16.340 1.00 0.00 H +ATOM 872 CA GLU 55 29.660 30.490 16.920 1.00 0.00 C +ATOM 873 HA GLU 55 30.262 30.330 17.802 1.00 0.00 H +ATOM 874 CB GLU 55 30.570 29.850 15.820 1.00 0.00 C +ATOM 875 HB1 GLU 55 29.908 29.670 14.946 1.00 0.00 H +ATOM 876 HB2 GLU 55 31.418 30.530 15.590 1.00 0.00 H +ATOM 877 CG GLU 55 31.290 28.510 16.330 1.00 0.00 C +ATOM 878 HG1 GLU 55 31.682 28.630 17.362 1.00 0.00 H +ATOM 879 HG2 GLU 55 30.476 27.756 16.370 1.00 0.00 H +ATOM 880 CD GLU 55 32.320 27.950 15.400 1.00 0.00 C +ATOM 881 OE1 GLU 55 33.300 28.630 15.050 1.00 0.00 O +ATOM 882 OE2 GLU 55 31.960 26.850 14.870 1.00 0.00 O +ATOM 883 C GLU 55 29.610 32.010 16.720 1.00 0.00 C +ATOM 884 O GLU 55 30.310 32.720 17.480 1.00 0.00 O +ATOM 885 N ALA 56 28.880 32.500 15.740 1.00 0.00 N +ATOM 886 HN ALA 56 28.428 31.908 15.078 1.00 0.00 H +ATOM 887 CA ALA 56 28.610 33.840 15.470 1.00 0.00 C +ATOM 888 HA ALA 56 29.550 34.370 15.420 1.00 0.00 H +ATOM 889 CB ALA 56 28.040 33.950 14.070 1.00 0.00 C +ATOM 890 HB1 ALA 56 28.060 35.006 13.728 1.00 0.00 H +ATOM 891 HB2 ALA 56 28.608 33.322 13.352 1.00 0.00 H +ATOM 892 HB3 ALA 56 27.000 33.560 14.090 1.00 0.00 H +ATOM 893 C ALA 56 27.750 34.500 16.550 1.00 0.00 C +ATOM 894 O ALA 56 28.130 35.590 17.090 1.00 0.00 O +ATOM 895 N ALA 57 26.750 33.720 17.080 1.00 0.00 N +ATOM 896 HN ALA 57 26.462 32.844 16.702 1.00 0.00 H +ATOM 897 CA ALA 57 25.950 34.000 18.270 1.00 0.00 C +ATOM 898 HA ALA 57 25.500 34.960 18.060 1.00 0.00 H +ATOM 899 CB ALA 57 24.820 32.970 18.430 1.00 0.00 C +ATOM 900 HB1 ALA 57 24.222 33.298 19.308 1.00 0.00 H +ATOM 901 HB2 ALA 57 24.120 33.030 17.570 1.00 0.00 H +ATOM 902 HB3 ALA 57 25.260 31.972 18.640 1.00 0.00 H +ATOM 903 C ALA 57 26.790 34.180 19.500 1.00 0.00 C +ATOM 904 O ALA 57 26.570 35.220 20.140 1.00 0.00 O +ATOM 905 N THR 58 27.740 33.340 19.760 1.00 0.00 N +ATOM 906 HN THR 58 27.690 32.506 19.218 1.00 0.00 H +ATOM 907 CA THR 58 28.680 33.480 20.880 1.00 0.00 C +ATOM 908 HA THR 58 28.008 33.410 21.722 1.00 0.00 H +ATOM 909 CB THR 58 29.660 32.350 20.970 1.00 0.00 C +ATOM 910 HB THR 58 30.258 32.330 20.034 1.00 0.00 H +ATOM 911 OG1 THR 58 29.010 31.070 21.090 1.00 0.00 O +ATOM 912 HG1 THR 58 28.352 31.020 20.392 1.00 0.00 H +ATOM 913 CG2 THR 58 30.600 32.440 22.170 1.00 0.00 C +ATOM 914 1HG2 THR 58 31.272 31.556 22.210 1.00 0.00 H +ATOM 915 2HG2 THR 58 31.240 33.348 22.160 1.00 0.00 H +ATOM 916 3HG2 THR 58 30.000 32.530 23.100 1.00 0.00 H +ATOM 917 C THR 58 29.490 34.820 20.780 1.00 0.00 C +ATOM 918 O THR 58 29.680 35.640 21.700 1.00 0.00 O +ATOM 919 N HIS 59 30.010 35.050 19.580 1.00 0.00 N +ATOM 920 HN HIS 59 29.880 34.430 18.810 1.00 0.00 H +ATOM 921 CA HIS 59 30.800 36.260 19.310 1.00 0.00 C +ATOM 922 HA HIS 59 31.460 36.350 20.160 1.00 0.00 H +ATOM 923 CB HIS 59 31.710 36.100 18.110 1.00 0.00 C +ATOM 924 HB1 HIS 59 31.240 35.388 17.398 1.00 0.00 H +ATOM 925 HB2 HIS 59 31.910 37.008 17.502 1.00 0.00 H +ATOM 926 ND1 HIS 59 33.290 34.600 19.380 1.00 0.00 N +ATOM 927 CG HIS 59 33.090 35.630 18.510 1.00 0.00 C +ATOM 928 CE1 HIS 59 34.570 34.460 19.550 1.00 0.00 C +ATOM 929 HE1 HIS 59 35.140 33.600 19.900 1.00 0.00 H +ATOM 930 NE2 HIS 59 35.220 35.400 18.790 1.00 0.00 N +ATOM 931 HE2 HIS 59 36.186 35.400 18.532 1.00 0.00 H +ATOM 932 CD2 HIS 59 34.260 36.130 18.170 1.00 0.00 C +ATOM 933 HD2 HIS 59 34.422 36.926 17.454 1.00 0.00 H +ATOM 934 C HIS 59 30.060 37.580 19.440 1.00 0.00 C +ATOM 935 O HIS 59 30.530 38.480 20.030 1.00 0.00 O +ATOM 936 N VAL 60 28.840 37.650 18.950 1.00 0.00 N +ATOM 937 HN VAL 60 28.452 36.892 18.432 1.00 0.00 H +ATOM 938 CA VAL 60 28.020 38.850 19.170 1.00 0.00 C +ATOM 939 HA VAL 60 28.576 39.776 19.210 1.00 0.00 H +ATOM 940 CB VAL 60 26.890 39.360 18.120 1.00 0.00 C +ATOM 941 HB VAL 60 27.476 39.658 17.224 1.00 0.00 H +ATOM 942 CG1 VAL 60 26.050 38.080 17.770 1.00 0.00 C +ATOM 943 1HG1 VAL 60 25.238 38.470 17.120 1.00 0.00 H +ATOM 944 2HG1 VAL 60 26.710 37.490 17.100 1.00 0.00 H +ATOM 945 3HG1 VAL 60 25.610 37.620 18.680 1.00 0.00 H +ATOM 946 CG2 VAL 60 26.030 40.560 18.560 1.00 0.00 C +ATOM 947 1HG2 VAL 60 25.400 40.200 19.400 1.00 0.00 H +ATOM 948 2HG2 VAL 60 26.626 41.464 18.808 1.00 0.00 H +ATOM 949 3HG2 VAL 60 25.312 40.740 17.732 1.00 0.00 H +ATOM 950 C VAL 60 27.430 38.860 20.590 1.00 0.00 C +ATOM 951 O VAL 60 27.230 39.960 21.100 1.00 0.00 O +ATOM 952 N GLY 61 27.180 37.720 21.240 1.00 0.00 N +ATOM 953 HN GLY 61 27.240 36.878 20.710 1.00 0.00 H +ATOM 954 CA GLY 61 26.850 37.610 22.600 1.00 0.00 C +ATOM 955 HA1 GLY 61 25.844 37.968 22.760 1.00 0.00 H +ATOM 956 HA2 GLY 61 27.020 36.560 22.780 1.00 0.00 H +ATOM 957 C GLY 61 27.860 38.220 23.550 1.00 0.00 C +ATOM 958 O GLY 61 27.510 38.770 24.550 1.00 0.00 O +ATOM 959 N LYS 62 29.190 38.060 23.210 1.00 0.00 N +ATOM 960 HN LYS 62 29.560 37.410 22.550 1.00 0.00 H +ATOM 961 CA LYS 62 30.360 38.710 23.810 1.00 0.00 C +ATOM 962 HA LYS 62 30.380 38.460 24.860 1.00 0.00 H +ATOM 963 CB LYS 62 31.630 38.110 23.230 1.00 0.00 C +ATOM 964 HB1 LYS 62 31.580 37.006 23.340 1.00 0.00 H +ATOM 965 HB2 LYS 62 31.610 38.310 22.138 1.00 0.00 H +ATOM 966 CG LYS 62 32.960 38.660 23.830 1.00 0.00 C +ATOM 967 HG1 LYS 62 32.950 39.770 23.800 1.00 0.00 H +ATOM 968 HG2 LYS 62 33.010 38.400 24.910 1.00 0.00 H +ATOM 969 CD LYS 62 34.220 38.330 23.010 1.00 0.00 C +ATOM 970 HD1 LYS 62 33.908 38.662 21.996 1.00 0.00 H +ATOM 971 HD2 LYS 62 35.048 38.918 23.460 1.00 0.00 H +ATOM 972 CE LYS 62 34.550 36.820 22.940 1.00 0.00 C +ATOM 973 HE1 LYS 62 34.610 36.360 23.950 1.00 0.00 H +ATOM 974 HE2 LYS 62 33.808 36.198 22.398 1.00 0.00 H +ATOM 975 NZ LYS 62 35.860 36.680 22.220 1.00 0.00 N +ATOM 976 HZ1 LYS 62 35.900 37.068 21.256 1.00 0.00 H +ATOM 977 HZ2 LYS 62 36.666 37.032 22.774 1.00 0.00 H +ATOM 978 HZ3 LYS 62 36.050 35.658 22.190 1.00 0.00 H +ATOM 979 C LYS 62 30.380 40.210 23.720 1.00 0.00 C +ATOM 980 O LYS 62 30.640 40.910 24.670 1.00 0.00 O +ATOM 981 N GLN 63 30.040 40.670 22.460 1.00 0.00 N +ATOM 982 HN GLN 63 29.970 40.102 21.644 1.00 0.00 H +ATOM 983 CA GLN 63 29.830 42.100 22.210 1.00 0.00 C +ATOM 984 HA GLN 63 30.628 42.658 22.678 1.00 0.00 H +ATOM 985 CB GLN 63 29.600 42.400 20.740 1.00 0.00 C +ATOM 986 HB1 GLN 63 28.818 41.698 20.380 1.00 0.00 H +ATOM 987 HB2 GLN 63 29.180 43.410 20.550 1.00 0.00 H +ATOM 988 CG GLN 63 30.930 42.260 19.960 1.00 0.00 C +ATOM 989 HG1 GLN 63 31.600 43.050 20.360 1.00 0.00 H +ATOM 990 HG2 GLN 63 31.400 41.280 20.190 1.00 0.00 H +ATOM 991 CD GLN 63 30.680 42.490 18.440 1.00 0.00 C +ATOM 992 OE1 GLN 63 30.130 43.460 17.950 1.00 0.00 O +ATOM 993 NE2 GLN 63 31.130 41.440 17.750 1.00 0.00 N +ATOM 994 1HE2 GLN 63 31.310 40.550 18.170 1.00 0.00 H +ATOM 995 2HE2 GLN 63 31.330 41.570 16.780 1.00 0.00 H +ATOM 996 C GLN 63 28.790 42.780 23.090 1.00 0.00 C +ATOM 997 O GLN 63 28.980 43.930 23.600 1.00 0.00 O +ATOM 998 N ILE 64 27.640 42.140 23.360 1.00 0.00 N +ATOM 999 HN ILE 64 27.450 41.322 22.822 1.00 0.00 H +ATOM 1000 CA ILE 64 26.770 42.590 24.340 1.00 0.00 C +ATOM 1001 HA ILE 64 26.562 43.634 24.152 1.00 0.00 H +ATOM 1002 CB ILE 64 25.410 41.840 24.310 1.00 0.00 C +ATOM 1003 HB ILE 64 25.650 40.796 24.602 1.00 0.00 H +ATOM 1004 CG2 ILE 64 24.420 42.560 25.250 1.00 0.00 C +ATOM 1005 1HG2 ILE 64 24.360 43.632 24.962 1.00 0.00 H +ATOM 1006 2HG2 ILE 64 23.428 42.060 25.250 1.00 0.00 H +ATOM 1007 3HG2 ILE 64 24.810 42.570 26.290 1.00 0.00 H +ATOM 1008 CG1 ILE 64 24.870 41.680 22.880 1.00 0.00 C +ATOM 1009 1HG1 ILE 64 25.572 41.340 22.088 1.00 0.00 H +ATOM 1010 2HG1 ILE 64 24.110 40.870 22.870 1.00 0.00 H +ATOM 1011 CD ILE 64 24.180 42.990 22.430 1.00 0.00 C +ATOM 1012 HD1 ILE 64 24.768 43.928 22.530 1.00 0.00 H +ATOM 1013 HD2 ILE 64 23.942 42.970 21.344 1.00 0.00 H +ATOM 1014 HD3 ILE 64 23.168 43.140 22.862 1.00 0.00 H +ATOM 1015 C ILE 64 27.400 42.620 25.690 1.00 0.00 C +ATOM 1016 O ILE 64 27.410 43.670 26.400 1.00 0.00 O +ATOM 1017 N VAL 65 28.020 41.540 26.110 1.00 0.00 N +ATOM 1018 HN VAL 65 27.902 40.748 25.516 1.00 0.00 H +ATOM 1019 CA VAL 65 28.660 41.380 27.440 1.00 0.00 C +ATOM 1020 HA VAL 65 27.754 41.530 28.008 1.00 0.00 H +ATOM 1021 CB VAL 65 29.110 39.930 27.800 1.00 0.00 C +ATOM 1022 HB VAL 65 28.740 39.190 27.060 1.00 0.00 H +ATOM 1023 CG1 VAL 65 30.740 39.790 27.820 1.00 0.00 C +ATOM 1024 1HG1 VAL 65 30.950 38.758 28.170 1.00 0.00 H +ATOM 1025 2HG1 VAL 65 31.190 40.020 26.830 1.00 0.00 H +ATOM 1026 3HG1 VAL 65 31.110 40.468 28.618 1.00 0.00 H +ATOM 1027 CG2 VAL 65 28.580 39.680 29.250 1.00 0.00 C +ATOM 1028 1HG2 VAL 65 27.498 39.460 29.140 1.00 0.00 H +ATOM 1029 2HG2 VAL 65 29.010 38.710 29.580 1.00 0.00 H +ATOM 1030 3HG2 VAL 65 28.690 40.520 29.970 1.00 0.00 H +ATOM 1031 C VAL 65 29.800 42.450 27.780 1.00 0.00 C +ATOM 1032 O VAL 65 29.820 42.980 28.840 1.00 0.00 O +ATOM 1033 N GLU 66 30.640 42.750 26.760 1.00 0.00 N +ATOM 1034 HN GLU 66 30.730 42.062 26.042 1.00 0.00 H +ATOM 1035 CA GLU 66 31.680 43.720 26.820 1.00 0.00 C +ATOM 1036 HA GLU 66 32.370 43.590 27.640 1.00 0.00 H +ATOM 1037 CB GLU 66 32.520 43.650 25.550 1.00 0.00 C +ATOM 1038 HB1 GLU 66 31.902 43.750 24.632 1.00 0.00 H +ATOM 1039 HB2 GLU 66 33.260 44.480 25.550 1.00 0.00 H +ATOM 1040 CG GLU 66 33.330 42.310 25.500 1.00 0.00 C +ATOM 1041 HG1 GLU 66 33.080 41.460 26.170 1.00 0.00 H +ATOM 1042 HG2 GLU 66 33.230 41.820 24.508 1.00 0.00 H +ATOM 1043 CD GLU 66 34.810 42.450 25.680 1.00 0.00 C +ATOM 1044 OE1 GLU 66 35.410 43.340 25.080 1.00 0.00 O +ATOM 1045 OE2 GLU 66 35.390 41.620 26.420 1.00 0.00 O +ATOM 1046 C GLU 66 31.090 45.180 27.070 1.00 0.00 C +ATOM 1047 O GLU 66 31.670 45.970 27.800 1.00 0.00 O +ATOM 1048 N LYS 67 29.900 45.430 26.570 1.00 0.00 N +ATOM 1049 HN LYS 67 29.398 44.768 26.018 1.00 0.00 H +ATOM 1050 CA LYS 67 29.180 46.590 27.000 1.00 0.00 C +ATOM 1051 HA LYS 67 29.958 47.338 26.990 1.00 0.00 H +ATOM 1052 CB LYS 67 28.190 47.010 25.920 1.00 0.00 C +ATOM 1053 HB1 LYS 67 27.500 46.190 25.630 1.00 0.00 H +ATOM 1054 HB2 LYS 67 27.600 47.888 26.260 1.00 0.00 H +ATOM 1055 CG LYS 67 28.900 47.190 24.530 1.00 0.00 C +ATOM 1056 HG1 LYS 67 29.620 48.030 24.630 1.00 0.00 H +ATOM 1057 HG2 LYS 67 29.528 46.312 24.270 1.00 0.00 H +ATOM 1058 CD LYS 67 27.950 47.300 23.390 1.00 0.00 C +ATOM 1059 HD1 LYS 67 27.372 46.392 23.110 1.00 0.00 H +ATOM 1060 HD2 LYS 67 27.208 48.092 23.630 1.00 0.00 H +ATOM 1061 CE LYS 67 28.550 47.770 22.090 1.00 0.00 C +ATOM 1062 HE1 LYS 67 27.690 48.040 21.440 1.00 0.00 H +ATOM 1063 HE2 LYS 67 29.288 48.588 22.230 1.00 0.00 H +ATOM 1064 NZ LYS 67 29.240 46.690 21.330 1.00 0.00 N +ATOM 1065 HZ1 LYS 67 30.132 46.338 21.732 1.00 0.00 H +ATOM 1066 HZ2 LYS 67 28.548 45.918 21.260 1.00 0.00 H +ATOM 1067 HZ3 LYS 67 29.510 47.010 20.378 1.00 0.00 H +ATOM 1068 C LYS 67 28.610 46.610 28.380 1.00 0.00 C +ATOM 1069 O LYS 67 28.450 47.670 29.000 1.00 0.00 O +ATOM 1070 N ILE 68 28.290 45.400 28.960 1.00 0.00 N +ATOM 1071 HN ILE 68 28.310 44.594 28.372 1.00 0.00 H +ATOM 1072 CA ILE 68 27.710 45.230 30.300 1.00 0.00 C +ATOM 1073 HA ILE 68 26.962 45.998 30.440 1.00 0.00 H +ATOM 1074 CB ILE 68 26.990 43.870 30.510 1.00 0.00 C +ATOM 1075 HB ILE 68 27.598 43.022 30.130 1.00 0.00 H +ATOM 1076 CG2 ILE 68 26.630 43.750 32.020 1.00 0.00 C +ATOM 1077 1HG2 ILE 68 27.438 43.490 32.738 1.00 0.00 H +ATOM 1078 2HG2 ILE 68 26.280 44.768 32.300 1.00 0.00 H +ATOM 1079 3HG2 ILE 68 25.656 43.228 32.130 1.00 0.00 H +ATOM 1080 CG1 ILE 68 25.680 43.790 29.580 1.00 0.00 C +ATOM 1081 1HG1 ILE 68 24.986 44.574 29.952 1.00 0.00 H +ATOM 1082 2HG1 ILE 68 25.970 44.242 28.608 1.00 0.00 H +ATOM 1083 CD ILE 68 25.150 42.390 29.470 1.00 0.00 C +ATOM 1084 HD1 ILE 68 24.850 41.800 30.362 1.00 0.00 H +ATOM 1085 HD2 ILE 68 24.174 42.450 28.942 1.00 0.00 H +ATOM 1086 HD3 ILE 68 25.860 41.870 28.790 1.00 0.00 H +ATOM 1087 C ILE 68 28.930 45.380 31.270 1.00 0.00 C +ATOM 1088 O ILE 68 28.740 45.820 32.440 1.00 0.00 O +ATOM 1089 N LEU 69 30.120 45.140 30.890 1.00 0.00 N +ATOM 1090 HN LEU 69 30.170 44.810 29.950 1.00 0.00 H +ATOM 1091 CA LEU 69 31.350 45.130 31.700 1.00 0.00 C +ATOM 1092 HA LEU 69 31.090 44.920 32.728 1.00 0.00 H +ATOM 1093 CB LEU 69 32.440 44.180 31.120 1.00 0.00 C +ATOM 1094 HB1 LEU 69 32.460 44.350 30.022 1.00 0.00 H +ATOM 1095 HB2 LEU 69 33.482 44.320 31.480 1.00 0.00 H +ATOM 1096 CG LEU 69 32.130 42.680 31.270 1.00 0.00 C +ATOM 1097 HG LEU 69 31.100 42.410 30.950 1.00 0.00 H +ATOM 1098 CD1 LEU 69 33.150 41.810 30.520 1.00 0.00 C +ATOM 1099 1HD1 LEU 69 34.176 42.030 30.888 1.00 0.00 H +ATOM 1100 2HD1 LEU 69 33.060 40.704 30.580 1.00 0.00 H +ATOM 1101 3HD1 LEU 69 33.210 42.200 29.482 1.00 0.00 H +ATOM 1102 CD2 LEU 69 32.130 42.300 32.780 1.00 0.00 C +ATOM 1103 1HD2 LEU 69 33.120 42.340 33.280 1.00 0.00 H +ATOM 1104 2HD2 LEU 69 31.390 42.800 33.440 1.00 0.00 H +ATOM 1105 3HD2 LEU 69 31.800 41.242 32.710 1.00 0.00 H +ATOM 1106 C LEU 69 31.890 46.550 31.760 1.00 0.00 C +ATOM 1107 O LEU 69 32.440 46.980 32.770 1.00 0.00 O +ATOM 1108 N LYS 70 31.640 47.370 30.740 1.00 0.00 N +ATOM 1109 HN LYS 70 31.160 46.960 29.970 1.00 0.00 H +ATOM 1110 CA LYS 70 32.070 48.780 30.680 1.00 0.00 C +ATOM 1111 HA LYS 70 32.816 49.018 31.426 1.00 0.00 H +ATOM 1112 CB LYS 70 32.560 49.300 29.250 1.00 0.00 C +ATOM 1113 HB1 LYS 70 33.252 48.528 28.850 1.00 0.00 H +ATOM 1114 HB2 LYS 70 31.648 49.420 28.628 1.00 0.00 H +ATOM 1115 CG LYS 70 33.440 50.520 29.440 1.00 0.00 C +ATOM 1116 HG1 LYS 70 32.960 51.322 30.040 1.00 0.00 H +ATOM 1117 HG2 LYS 70 34.404 50.212 29.898 1.00 0.00 H +ATOM 1118 CD LYS 70 33.690 51.260 28.070 1.00 0.00 C +ATOM 1119 HD1 LYS 70 34.398 50.572 27.562 1.00 0.00 H +ATOM 1120 HD2 LYS 70 32.790 51.310 27.420 1.00 0.00 H +ATOM 1121 CE LYS 70 34.490 52.610 28.230 1.00 0.00 C +ATOM 1122 HE1 LYS 70 35.220 52.500 29.060 1.00 0.00 H +ATOM 1123 HE2 LYS 70 35.110 52.800 27.328 1.00 0.00 H +ATOM 1124 NZ LYS 70 33.650 53.800 28.510 1.00 0.00 N +ATOM 1125 HZ1 LYS 70 34.024 54.496 29.186 1.00 0.00 H +ATOM 1126 HZ2 LYS 70 33.590 54.388 27.654 1.00 0.00 H +ATOM 1127 HZ3 LYS 70 32.702 53.460 28.770 1.00 0.00 H +ATOM 1128 C LYS 70 30.870 49.610 31.150 1.00 0.00 C +ATOM 1129 O LYS 70 30.270 50.400 30.370 1.00 0.00 O +ATOM 1130 N GLU 71 30.370 49.420 32.340 1.00 0.00 N +ATOM 1131 HN GLU 71 30.698 48.666 32.906 1.00 0.00 H +ATOM 1132 CA GLU 71 29.210 50.110 32.810 1.00 0.00 C +ATOM 1133 HA GLU 71 29.050 50.980 32.190 1.00 0.00 H +ATOM 1134 CB GLU 71 27.920 49.190 32.730 1.00 0.00 C +ATOM 1135 HB1 GLU 71 28.090 48.460 31.910 1.00 0.00 H +ATOM 1136 HB2 GLU 71 27.760 48.498 33.584 1.00 0.00 H +ATOM 1137 CG GLU 71 26.610 49.840 32.080 1.00 0.00 C +ATOM 1138 HG1 GLU 71 26.972 50.562 31.318 1.00 0.00 H +ATOM 1139 HG2 GLU 71 26.088 48.976 31.618 1.00 0.00 H +ATOM 1140 CD GLU 71 25.750 50.550 33.050 1.00 0.00 C +ATOM 1141 OE1 GLU 71 24.580 50.100 33.340 1.00 0.00 O +ATOM 1142 OE2 GLU 71 26.150 51.550 33.620 1.00 0.00 O +ATOM 1143 C GLU 71 29.470 50.430 34.270 1.00 0.00 C +ATOM 1144 O GLU 71 30.370 49.910 34.910 1.00 0.00 O +ATOM 1145 N GLU 72 28.720 51.340 34.940 1.00 0.00 N +ATOM 1146 HN GLU 72 27.892 51.620 34.460 1.00 0.00 H +ATOM 1147 CA GLU 72 29.010 51.630 36.310 1.00 0.00 C +ATOM 1148 HA GLU 72 30.066 51.560 36.530 1.00 0.00 H +ATOM 1149 CB GLU 72 28.780 53.060 36.750 1.00 0.00 C +ATOM 1150 HB1 GLU 72 27.706 53.320 36.640 1.00 0.00 H +ATOM 1151 HB2 GLU 72 29.080 53.120 37.818 1.00 0.00 H +ATOM 1152 CG GLU 72 29.620 54.160 35.970 1.00 0.00 C +ATOM 1153 HG1 GLU 72 30.720 54.070 36.090 1.00 0.00 H +ATOM 1154 HG2 GLU 72 29.340 54.040 34.902 1.00 0.00 H +ATOM 1155 CD GLU 72 29.280 55.500 36.460 1.00 0.00 C +ATOM 1156 OE1 GLU 72 29.430 55.740 37.710 1.00 0.00 O +ATOM 1157 OE2 GLU 72 28.850 56.350 35.630 1.00 0.00 O +ATOM 1158 C GLU 72 28.150 50.730 37.130 1.00 0.00 C +ATOM 1159 O GLU 72 26.940 50.760 37.020 1.00 0.00 O +ATOM 1160 N ASP 73 28.760 49.960 38.030 1.00 0.00 N +ATOM 1161 HN ASP 73 29.756 49.960 38.030 1.00 0.00 H +ATOM 1162 CA ASP 73 28.150 49.040 38.970 1.00 0.00 C +ATOM 1163 HA ASP 73 27.180 48.690 38.650 1.00 0.00 H +ATOM 1164 CB ASP 73 29.040 47.780 39.220 1.00 0.00 C +ATOM 1165 HB1 ASP 73 30.068 48.160 39.400 1.00 0.00 H +ATOM 1166 HB2 ASP 73 28.680 47.172 40.078 1.00 0.00 H +ATOM 1167 CG ASP 73 28.920 46.880 38.000 1.00 0.00 C +ATOM 1168 OD1 ASP 73 27.960 46.950 37.220 1.00 0.00 O +ATOM 1169 OD2 ASP 73 29.760 45.980 37.840 1.00 0.00 O +ATOM 1170 C ASP 73 27.980 49.700 40.350 1.00 0.00 C +ATOM 1171 OT1 ASP 73 26.870 49.740 40.890 1.00 0.00 O +ATOM 1172 OT2 ASP 73 29.040 50.080 40.920 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1aol_A.pdb b/data/PDBs/1aol_A.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a211729a330254037653f6c42d72f3d99e3c24ad --- /dev/null +++ b/data/PDBs/1aol_A.pdb @@ -0,0 +1,3463 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 83.935 58.415 69.917 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N GLN 1 14.510 19.170 23.350 1.00 0.00 N +ATOM 2 H1 GLN 1 13.630 18.700 23.060 1.00 0.00 H +ATOM 3 H2 GLN 1 15.230 18.420 23.290 1.00 0.00 H +ATOM 4 H3 GLN 1 14.380 19.410 24.354 1.00 0.00 H +ATOM 5 CA GLN 1 14.820 20.390 22.400 1.00 0.00 C +ATOM 6 HA GLN 1 14.498 20.218 21.384 1.00 0.00 H +ATOM 7 CB GLN 1 13.990 21.590 23.030 1.00 0.00 C +ATOM 8 HB1 GLN 1 13.060 21.260 23.540 1.00 0.00 H +ATOM 9 HB2 GLN 1 14.560 22.080 23.850 1.00 0.00 H +ATOM 10 CG GLN 1 13.610 22.730 22.100 1.00 0.00 C +ATOM 11 HG1 GLN 1 12.774 22.322 21.492 1.00 0.00 H +ATOM 12 HG2 GLN 1 13.220 23.682 22.520 1.00 0.00 H +ATOM 13 CD GLN 1 14.730 23.070 21.150 1.00 0.00 C +ATOM 14 OE1 GLN 1 14.810 22.670 20.000 1.00 0.00 O +ATOM 15 NE2 GLN 1 15.680 23.850 21.670 1.00 0.00 N +ATOM 16 1HE2 GLN 1 15.780 23.810 22.664 1.00 0.00 H +ATOM 17 2HE2 GLN 1 16.502 23.950 21.108 1.00 0.00 H +ATOM 18 C GLN 1 16.380 20.590 22.400 1.00 0.00 C +ATOM 19 O GLN 1 16.890 20.730 23.510 1.00 0.00 O +ATOM 20 N VAL 2 17.110 20.600 21.260 1.00 0.00 N +ATOM 21 HN VAL 2 16.720 20.190 20.440 1.00 0.00 H +ATOM 22 CA VAL 2 18.530 21.040 21.300 1.00 0.00 C +ATOM 23 HA VAL 2 18.980 20.670 22.210 1.00 0.00 H +ATOM 24 CB VAL 2 19.330 20.250 20.210 1.00 0.00 C +ATOM 25 HB VAL 2 18.972 20.618 19.224 1.00 0.00 H +ATOM 26 CG1 VAL 2 20.850 20.378 20.200 1.00 0.00 C +ATOM 27 1HG1 VAL 2 21.316 19.676 19.476 1.00 0.00 H +ATOM 28 2HG1 VAL 2 21.152 21.444 20.110 1.00 0.00 H +ATOM 29 3HG1 VAL 2 21.198 20.022 21.194 1.00 0.00 H +ATOM 30 CG2 VAL 2 19.050 18.690 20.300 1.00 0.00 C +ATOM 31 1HG2 VAL 2 17.970 18.430 20.250 1.00 0.00 H +ATOM 32 2HG2 VAL 2 19.562 18.270 19.408 1.00 0.00 H +ATOM 33 3HG2 VAL 2 19.450 18.270 21.248 1.00 0.00 H +ATOM 34 C VAL 2 18.760 22.580 21.110 1.00 0.00 C +ATOM 35 O VAL 2 18.050 23.370 20.400 1.00 0.00 O +ATOM 36 N TYR 3 19.790 23.050 21.800 1.00 0.00 N +ATOM 37 HN TYR 3 20.368 22.402 22.288 1.00 0.00 H +ATOM 38 CA TYR 3 20.170 24.460 21.920 1.00 0.00 C +ATOM 39 HA TYR 3 19.702 25.086 21.174 1.00 0.00 H +ATOM 40 CB TYR 3 19.900 24.970 23.350 1.00 0.00 C +ATOM 41 HB1 TYR 3 20.458 24.422 24.138 1.00 0.00 H +ATOM 42 HB2 TYR 3 20.320 25.998 23.370 1.00 0.00 H +ATOM 43 CG TYR 3 18.510 25.060 23.780 1.00 0.00 C +ATOM 44 CD1 TYR 3 17.750 26.220 23.660 1.00 0.00 C +ATOM 45 HD1 TYR 3 18.232 27.094 23.248 1.00 0.00 H +ATOM 46 CE1 TYR 3 16.470 26.350 24.110 1.00 0.00 C +ATOM 47 HE1 TYR 3 16.012 27.328 24.090 1.00 0.00 H +ATOM 48 CZ TYR 3 15.860 25.260 24.760 1.00 0.00 C +ATOM 49 OH TYR 3 14.650 25.350 25.330 1.00 0.00 O +ATOM 50 HH TYR 3 14.388 24.496 25.682 1.00 0.00 H +ATOM 51 CD2 TYR 3 17.930 23.970 24.470 1.00 0.00 C +ATOM 52 HD2 TYR 3 18.648 23.162 24.490 1.00 0.00 H +ATOM 53 CE2 TYR 3 16.610 24.050 24.850 1.00 0.00 C +ATOM 54 HE2 TYR 3 16.070 23.300 25.410 1.00 0.00 H +ATOM 55 C TYR 3 21.680 24.570 21.600 1.00 0.00 C +ATOM 56 O TYR 3 22.330 23.530 21.530 1.00 0.00 O +ATOM 57 N ASN 4 22.210 25.770 21.320 1.00 0.00 N +ATOM 58 HN ASN 4 21.700 26.620 21.420 1.00 0.00 H +ATOM 59 CA ASN 4 23.610 25.890 21.190 1.00 0.00 C +ATOM 60 HA ASN 4 24.058 24.932 20.970 1.00 0.00 H +ATOM 61 CB ASN 4 23.920 26.830 20.000 1.00 0.00 C +ATOM 62 HB1 ASN 4 23.492 26.512 19.024 1.00 0.00 H +ATOM 63 HB2 ASN 4 23.512 27.836 20.238 1.00 0.00 H +ATOM 64 CG ASN 4 25.470 26.890 19.790 1.00 0.00 C +ATOM 65 OD1 ASN 4 26.310 26.270 20.460 1.00 0.00 O +ATOM 66 ND2 ASN 4 25.820 27.770 18.790 1.00 0.00 N +ATOM 67 1HD2 ASN 4 25.028 28.240 18.400 1.00 0.00 H +ATOM 68 2HD2 ASN 4 26.768 28.070 18.690 1.00 0.00 H +ATOM 69 C ASN 4 24.110 26.410 22.490 1.00 0.00 C +ATOM 70 O ASN 4 23.720 27.510 22.830 1.00 0.00 O +ATOM 71 N ILE 5 24.740 25.600 23.290 1.00 0.00 N +ATOM 72 HN ILE 5 25.020 24.688 23.000 1.00 0.00 H +ATOM 73 CA ILE 5 25.140 25.810 24.640 1.00 0.00 C +ATOM 74 HA ILE 5 24.402 26.478 25.058 1.00 0.00 H +ATOM 75 CB ILE 5 25.190 24.530 25.490 1.00 0.00 C +ATOM 76 HB ILE 5 25.988 23.892 25.052 1.00 0.00 H +ATOM 77 CG2 ILE 5 25.580 24.890 26.950 1.00 0.00 C +ATOM 78 1HG2 ILE 5 24.938 25.712 27.332 1.00 0.00 H +ATOM 79 2HG2 ILE 5 25.410 24.020 27.620 1.00 0.00 H +ATOM 80 3HG2 ILE 5 26.648 25.180 26.850 1.00 0.00 H +ATOM 81 CG1 ILE 5 23.860 23.680 25.470 1.00 0.00 C +ATOM 82 1HG1 ILE 5 23.540 23.510 24.420 1.00 0.00 H +ATOM 83 2HG1 ILE 5 24.030 22.702 25.970 1.00 0.00 H +ATOM 84 CD ILE 5 22.630 24.320 26.080 1.00 0.00 C +ATOM 85 HD1 ILE 5 22.510 25.320 25.610 1.00 0.00 H +ATOM 86 HD2 ILE 5 21.744 23.686 25.868 1.00 0.00 H +ATOM 87 HD3 ILE 5 22.740 24.530 27.166 1.00 0.00 H +ATOM 88 C ILE 5 26.470 26.460 24.560 1.00 0.00 C +ATOM 89 O ILE 5 27.380 26.030 23.860 1.00 0.00 O +ATOM 90 N THR 6 26.730 27.550 25.360 1.00 0.00 N +ATOM 91 HN THR 6 26.048 27.892 26.002 1.00 0.00 H +ATOM 92 CA THR 6 28.040 28.190 25.440 1.00 0.00 C +ATOM 93 HA THR 6 28.826 27.552 25.062 1.00 0.00 H +ATOM 94 CB THR 6 28.210 29.520 24.690 1.00 0.00 C +ATOM 95 HB THR 6 27.546 30.254 25.192 1.00 0.00 H +ATOM 96 OG1 THR 6 27.840 29.250 23.330 1.00 0.00 O +ATOM 97 HG1 THR 6 26.882 29.230 23.390 1.00 0.00 H +ATOM 98 CG2 THR 6 29.670 30.030 24.640 1.00 0.00 C +ATOM 99 1HG2 THR 6 29.780 30.892 23.946 1.00 0.00 H +ATOM 100 2HG2 THR 6 30.002 30.342 25.654 1.00 0.00 H +ATOM 101 3HG2 THR 6 30.402 29.298 24.238 1.00 0.00 H +ATOM 102 C THR 6 28.520 28.340 26.850 1.00 0.00 C +ATOM 103 O THR 6 27.880 29.010 27.630 1.00 0.00 O +ATOM 104 N TRP 7 29.610 27.730 27.240 1.00 0.00 N +ATOM 105 HN TRP 7 30.042 27.046 26.658 1.00 0.00 H +ATOM 106 CA TRP 7 30.100 27.870 28.550 1.00 0.00 C +ATOM 107 HA TRP 7 29.350 28.250 29.230 1.00 0.00 H +ATOM 108 CB TRP 7 30.680 26.540 29.170 1.00 0.00 C +ATOM 109 HB1 TRP 7 31.270 26.030 28.380 1.00 0.00 H +ATOM 110 HB2 TRP 7 31.324 26.772 30.044 1.00 0.00 H +ATOM 111 CG TRP 7 29.550 25.660 29.570 1.00 0.00 C +ATOM 112 CD1 TRP 7 29.030 24.570 28.900 1.00 0.00 C +ATOM 113 HD1 TRP 7 29.422 24.248 27.946 1.00 0.00 H +ATOM 114 NE1 TRP 7 28.000 23.970 29.680 1.00 0.00 N +ATOM 115 HE1 TRP 7 27.670 23.058 29.580 1.00 0.00 H +ATOM 116 CE2 TRP 7 27.850 24.720 30.800 1.00 0.00 C +ATOM 117 CD2 TRP 7 28.850 25.750 30.770 1.00 0.00 C +ATOM 118 CE3 TRP 7 28.970 26.630 31.920 1.00 0.00 C +ATOM 119 HE3 TRP 7 29.634 27.472 32.048 1.00 0.00 H +ATOM 120 CZ3 TRP 7 28.010 26.470 32.890 1.00 0.00 C +ATOM 121 HZ3 TRP 7 27.980 27.088 33.776 1.00 0.00 H +ATOM 122 CZ2 TRP 7 27.020 24.520 31.880 1.00 0.00 C +ATOM 123 HZ2 TRP 7 26.402 23.642 32.000 1.00 0.00 H +ATOM 124 CH2 TRP 7 27.160 25.370 32.940 1.00 0.00 C +ATOM 125 HH2 TRP 7 26.650 25.090 33.850 1.00 0.00 H +ATOM 126 C TRP 7 31.240 28.920 28.440 1.00 0.00 C +ATOM 127 O TRP 7 32.100 28.880 27.600 1.00 0.00 O +ATOM 128 N GLU 8 31.110 30.040 29.270 1.00 0.00 N +ATOM 129 HN GLU 8 30.300 30.150 29.840 1.00 0.00 H +ATOM 130 CA GLU 8 31.920 31.210 29.150 1.00 0.00 C +ATOM 131 HA GLU 8 32.540 31.130 28.270 1.00 0.00 H +ATOM 132 CB GLU 8 31.060 32.480 29.010 1.00 0.00 C +ATOM 133 HB1 GLU 8 30.264 32.480 29.786 1.00 0.00 H +ATOM 134 HB2 GLU 8 31.700 33.360 29.230 1.00 0.00 H +ATOM 135 CG GLU 8 30.350 32.620 27.650 1.00 0.00 C +ATOM 136 HG1 GLU 8 31.078 32.490 26.822 1.00 0.00 H +ATOM 137 HG2 GLU 8 29.586 31.816 27.620 1.00 0.00 H +ATOM 138 CD GLU 8 29.810 34.040 27.500 1.00 0.00 C +ATOM 139 OE1 GLU 8 29.150 34.650 28.390 1.00 0.00 O +ATOM 140 OE2 GLU 8 30.110 34.640 26.430 1.00 0.00 O +ATOM 141 C GLU 8 32.800 31.290 30.370 1.00 0.00 C +ATOM 142 O GLU 8 32.260 31.170 31.440 1.00 0.00 O +ATOM 143 N VAL 9 34.060 31.530 30.190 1.00 0.00 N +ATOM 144 HN VAL 9 34.482 31.670 29.298 1.00 0.00 H +ATOM 145 CA VAL 9 35.000 31.670 31.310 1.00 0.00 C +ATOM 146 HA VAL 9 34.552 31.410 32.258 1.00 0.00 H +ATOM 147 CB VAL 9 36.260 30.870 31.170 1.00 0.00 C +ATOM 148 HB VAL 9 36.774 31.102 30.214 1.00 0.00 H +ATOM 149 CG1 VAL 9 37.180 31.190 32.390 1.00 0.00 C +ATOM 150 1HG1 VAL 9 37.760 32.130 32.260 1.00 0.00 H +ATOM 151 2HG1 VAL 9 36.578 31.250 33.322 1.00 0.00 H +ATOM 152 3HG1 VAL 9 37.962 30.408 32.480 1.00 0.00 H +ATOM 153 CG2 VAL 9 35.780 29.400 31.400 1.00 0.00 C +ATOM 154 1HG2 VAL 9 35.358 29.250 32.416 1.00 0.00 H +ATOM 155 2HG2 VAL 9 34.980 29.020 30.730 1.00 0.00 H +ATOM 156 3HG2 VAL 9 36.608 28.662 31.480 1.00 0.00 H +ATOM 157 C VAL 9 35.320 33.160 31.450 1.00 0.00 C +ATOM 158 O VAL 9 35.600 33.820 30.430 1.00 0.00 O +ATOM 159 N THR 10 35.280 33.770 32.620 1.00 0.00 N +ATOM 160 HN THR 10 35.050 33.288 33.462 1.00 0.00 H +ATOM 161 CA THR 10 35.480 35.190 32.730 1.00 0.00 C +ATOM 162 HA THR 10 35.748 35.598 31.766 1.00 0.00 H +ATOM 163 CB THR 10 34.350 35.960 33.420 1.00 0.00 C +ATOM 164 HB THR 10 34.440 37.012 33.072 1.00 0.00 H +ATOM 165 OG1 THR 10 34.280 35.950 34.830 1.00 0.00 O +ATOM 166 HG1 THR 10 35.180 36.110 35.120 1.00 0.00 H +ATOM 167 CG2 THR 10 32.960 35.480 32.890 1.00 0.00 C +ATOM 168 1HG2 THR 10 32.060 36.000 33.280 1.00 0.00 H +ATOM 169 2HG2 THR 10 32.960 35.738 31.808 1.00 0.00 H +ATOM 170 3HG2 THR 10 32.780 34.442 33.240 1.00 0.00 H +ATOM 171 C THR 10 36.810 35.360 33.430 1.00 0.00 C +ATOM 172 O THR 10 37.210 34.500 34.210 1.00 0.00 O +ATOM 173 N ASN 11 37.400 36.550 33.140 1.00 0.00 N +ATOM 174 HN ASN 11 36.850 37.080 32.500 1.00 0.00 H +ATOM 175 CA ASN 11 38.500 37.120 33.920 1.00 0.00 C +ATOM 176 HA ASN 11 39.200 36.320 34.110 1.00 0.00 H +ATOM 177 CB ASN 11 39.210 38.260 33.040 1.00 0.00 C +ATOM 178 HB1 ASN 11 40.064 38.682 33.612 1.00 0.00 H +ATOM 179 HB2 ASN 11 39.650 37.820 32.120 1.00 0.00 H +ATOM 180 CG ASN 11 38.220 39.350 32.690 1.00 0.00 C +ATOM 181 OD1 ASN 11 37.050 39.310 32.970 1.00 0.00 O +ATOM 182 ND2 ASN 11 38.710 40.460 32.140 1.00 0.00 N +ATOM 183 1HD2 ASN 11 39.652 40.510 31.810 1.00 0.00 H +ATOM 184 2HD2 ASN 11 38.036 41.174 31.958 1.00 0.00 H +ATOM 185 C ASN 11 37.990 37.550 35.280 1.00 0.00 C +ATOM 186 O ASN 11 36.980 37.070 35.870 1.00 0.00 O +ATOM 187 N GLY 12 38.600 38.670 35.860 1.00 0.00 N +ATOM 188 HN GLY 12 39.444 39.002 35.448 1.00 0.00 H +ATOM 189 CA GLY 12 38.180 39.210 37.140 1.00 0.00 C +ATOM 190 HA1 GLY 12 37.732 38.422 37.728 1.00 0.00 H +ATOM 191 HA2 GLY 12 38.998 39.640 37.698 1.00 0.00 H +ATOM 192 C GLY 12 37.070 40.240 36.960 1.00 0.00 C +ATOM 193 O GLY 12 36.340 40.590 37.880 1.00 0.00 O +ATOM 194 N ASP 13 37.030 40.890 35.830 1.00 0.00 N +ATOM 195 HN ASP 13 37.720 40.680 35.140 1.00 0.00 H +ATOM 196 CA ASP 13 36.080 41.920 35.500 1.00 0.00 C +ATOM 197 HA ASP 13 35.900 42.520 36.380 1.00 0.00 H +ATOM 198 CB ASP 13 36.700 42.740 34.350 1.00 0.00 C +ATOM 199 HB1 ASP 13 36.840 42.102 33.452 1.00 0.00 H +ATOM 200 HB2 ASP 13 35.984 43.566 34.150 1.00 0.00 H +ATOM 201 CG ASP 13 38.010 43.390 34.720 1.00 0.00 C +ATOM 202 OD1 ASP 13 38.110 43.940 35.840 1.00 0.00 O +ATOM 203 OD2 ASP 13 38.910 43.420 33.810 1.00 0.00 O +ATOM 204 C ASP 13 34.730 41.400 35.050 1.00 0.00 C +ATOM 205 O ASP 13 33.760 42.150 34.850 1.00 0.00 O +ATOM 206 N ARG 14 34.560 40.080 34.850 1.00 0.00 N +ATOM 207 HN ARG 14 35.362 39.490 34.900 1.00 0.00 H +ATOM 208 CA ARG 14 33.330 39.390 34.500 1.00 0.00 C +ATOM 209 HA ARG 14 33.490 38.362 34.790 1.00 0.00 H +ATOM 210 CB ARG 14 32.040 39.900 35.240 1.00 0.00 C +ATOM 211 HB1 ARG 14 31.770 40.854 34.738 1.00 0.00 H +ATOM 212 HB2 ARG 14 31.250 39.140 35.060 1.00 0.00 H +ATOM 213 CG ARG 14 32.050 39.990 36.780 1.00 0.00 C +ATOM 214 HG1 ARG 14 32.250 38.942 37.090 1.00 0.00 H +ATOM 215 HG2 ARG 14 32.948 40.578 37.070 1.00 0.00 H +ATOM 216 CD ARG 14 30.780 40.560 37.430 1.00 0.00 C +ATOM 217 HD1 ARG 14 30.580 41.630 37.210 1.00 0.00 H +ATOM 218 HD2 ARG 14 29.818 40.080 37.150 1.00 0.00 H +ATOM 219 NE ARG 14 31.060 40.360 38.880 1.00 0.00 N +ATOM 220 HE ARG 14 31.852 39.848 39.212 1.00 0.00 H +ATOM 221 CZ ARG 14 30.720 41.310 39.720 1.00 0.00 C +ATOM 222 NH1 ARG 14 29.580 41.950 39.550 1.00 0.00 N +ATOM 223 1HH1 ARG 14 28.936 41.588 38.876 1.00 0.00 H +ATOM 224 2HH1 ARG 14 29.260 42.410 40.380 1.00 0.00 H +ATOM 225 NH2 ARG 14 31.300 41.350 40.910 1.00 0.00 N +ATOM 226 1HH2 ARG 14 31.750 40.562 41.330 1.00 0.00 H +ATOM 227 2HH2 ARG 14 30.920 42.038 41.528 1.00 0.00 H +ATOM 228 C ARG 14 33.150 39.490 32.990 1.00 0.00 C +ATOM 229 O ARG 14 31.990 39.530 32.550 1.00 0.00 O +ATOM 230 N GLU 15 34.270 39.550 32.250 1.00 0.00 N +ATOM 231 HN GLU 15 35.184 39.360 32.602 1.00 0.00 H +ATOM 232 CA GLU 15 34.150 39.600 30.840 1.00 0.00 C +ATOM 233 HA GLU 15 33.110 39.650 30.550 1.00 0.00 H +ATOM 234 CB GLU 15 35.030 40.780 30.300 1.00 0.00 C +ATOM 235 HB1 GLU 15 36.028 40.560 30.738 1.00 0.00 H +ATOM 236 HB2 GLU 15 35.050 40.670 29.194 1.00 0.00 H +ATOM 237 CG GLU 15 34.570 42.140 30.830 1.00 0.00 C +ATOM 238 HG1 GLU 15 33.536 42.360 30.488 1.00 0.00 H +ATOM 239 HG2 GLU 15 34.720 42.290 31.920 1.00 0.00 H +ATOM 240 CD GLU 15 35.440 43.120 30.130 1.00 0.00 C +ATOM 241 OE1 GLU 15 35.240 43.180 28.870 1.00 0.00 O +ATOM 242 OE2 GLU 15 36.250 43.830 30.700 1.00 0.00 O +ATOM 243 C GLU 15 34.690 38.330 30.310 1.00 0.00 C +ATOM 244 O GLU 15 35.640 37.700 30.850 1.00 0.00 O +ATOM 245 N THR 16 34.030 37.790 29.220 1.00 0.00 N +ATOM 246 HN THR 16 33.304 38.288 28.752 1.00 0.00 H +ATOM 247 CA THR 16 34.320 36.530 28.670 1.00 0.00 C +ATOM 248 HA THR 16 34.260 35.798 29.462 1.00 0.00 H +ATOM 249 CB THR 16 33.320 36.080 27.580 1.00 0.00 C +ATOM 250 HB THR 16 33.580 36.698 26.694 1.00 0.00 H +ATOM 251 OG1 THR 16 31.970 36.250 27.990 1.00 0.00 O +ATOM 252 HG1 THR 16 31.440 35.690 27.420 1.00 0.00 H +ATOM 253 CG2 THR 16 33.530 34.600 27.300 1.00 0.00 C +ATOM 254 1HG2 THR 16 32.862 34.122 26.552 1.00 0.00 H +ATOM 255 2HG2 THR 16 34.526 34.530 26.812 1.00 0.00 H +ATOM 256 3HG2 THR 16 33.530 33.960 28.208 1.00 0.00 H +ATOM 257 C THR 16 35.760 36.460 28.140 1.00 0.00 C +ATOM 258 O THR 16 36.160 37.250 27.300 1.00 0.00 O +ATOM 259 N VAL 17 36.560 35.560 28.580 1.00 0.00 N +ATOM 260 HN VAL 17 36.198 34.966 29.294 1.00 0.00 H +ATOM 261 CA VAL 17 38.010 35.490 28.260 1.00 0.00 C +ATOM 262 HA VAL 17 38.200 36.130 27.410 1.00 0.00 H +ATOM 263 CB VAL 17 38.740 35.910 29.510 1.00 0.00 C +ATOM 264 HB VAL 17 38.148 36.692 30.032 1.00 0.00 H +ATOM 265 CG1 VAL 17 39.000 34.850 30.570 1.00 0.00 C +ATOM 266 1HG1 VAL 17 38.038 34.428 30.930 1.00 0.00 H +ATOM 267 2HG1 VAL 17 39.610 34.020 30.150 1.00 0.00 H +ATOM 268 3HG1 VAL 17 39.502 35.252 31.474 1.00 0.00 H +ATOM 269 CG2 VAL 17 40.030 36.530 28.960 1.00 0.00 C +ATOM 270 1HG2 VAL 17 40.668 35.682 28.630 1.00 0.00 H +ATOM 271 2HG2 VAL 17 39.920 37.210 28.090 1.00 0.00 H +ATOM 272 3HG2 VAL 17 40.522 36.930 29.872 1.00 0.00 H +ATOM 273 C VAL 17 38.420 34.130 27.790 1.00 0.00 C +ATOM 274 O VAL 17 39.420 33.980 27.130 1.00 0.00 O +ATOM 275 N TRP 18 37.590 33.120 27.970 1.00 0.00 N +ATOM 276 HN TRP 18 36.708 33.340 28.380 1.00 0.00 H +ATOM 277 CA TRP 18 37.680 31.920 27.110 1.00 0.00 C +ATOM 278 HA TRP 18 37.820 32.210 26.080 1.00 0.00 H +ATOM 279 CB TRP 18 38.790 30.910 27.730 1.00 0.00 C +ATOM 280 HB1 TRP 18 39.742 31.482 27.760 1.00 0.00 H +ATOM 281 HB2 TRP 18 38.430 30.690 28.758 1.00 0.00 H +ATOM 282 CG TRP 18 38.950 29.590 27.060 1.00 0.00 C +ATOM 283 CD1 TRP 18 39.800 29.240 26.030 1.00 0.00 C +ATOM 284 HD1 TRP 18 40.400 29.890 25.410 1.00 0.00 H +ATOM 285 NE1 TRP 18 39.630 27.890 25.820 1.00 0.00 N +ATOM 286 HE1 TRP 18 40.028 27.452 25.044 1.00 0.00 H +ATOM 287 CE2 TRP 18 38.620 27.410 26.600 1.00 0.00 C +ATOM 288 CD2 TRP 18 38.230 28.430 27.410 1.00 0.00 C +ATOM 289 CE3 TRP 18 37.260 28.230 28.370 1.00 0.00 C +ATOM 290 HE3 TRP 18 36.948 29.014 29.044 1.00 0.00 H +ATOM 291 CZ3 TRP 18 36.560 27.010 28.430 1.00 0.00 C +ATOM 292 HZ3 TRP 18 35.718 26.940 29.102 1.00 0.00 H +ATOM 293 CZ2 TRP 18 37.960 26.160 26.680 1.00 0.00 C +ATOM 294 HZ2 TRP 18 38.208 25.336 26.026 1.00 0.00 H +ATOM 295 CH2 TRP 18 36.930 26.000 27.520 1.00 0.00 C +ATOM 296 HH2 TRP 18 36.364 25.086 27.620 1.00 0.00 H +ATOM 297 C TRP 18 36.310 31.340 27.010 1.00 0.00 C +ATOM 298 O TRP 18 35.470 31.680 27.800 1.00 0.00 O +ATOM 299 N ALA 19 35.890 30.510 26.000 1.00 0.00 N +ATOM 300 HN ALA 19 36.390 30.080 25.252 1.00 0.00 H +ATOM 301 CA ALA 19 34.660 29.950 25.930 1.00 0.00 C +ATOM 302 HA ALA 19 34.312 29.680 26.916 1.00 0.00 H +ATOM 303 CB ALA 19 33.720 30.960 25.230 1.00 0.00 C +ATOM 304 HB1 ALA 19 33.830 31.964 25.692 1.00 0.00 H +ATOM 305 HB2 ALA 19 34.090 31.100 24.192 1.00 0.00 H +ATOM 306 HB3 ALA 19 32.696 30.562 25.400 1.00 0.00 H +ATOM 307 C ALA 19 34.650 28.700 25.120 1.00 0.00 C +ATOM 308 O ALA 19 35.540 28.460 24.290 1.00 0.00 O +ATOM 309 N ILE 20 33.670 27.790 25.290 1.00 0.00 N +ATOM 310 HN ILE 20 33.010 27.900 26.030 1.00 0.00 H +ATOM 311 CA ILE 20 33.480 26.600 24.460 1.00 0.00 C +ATOM 312 HA ILE 20 34.060 26.800 23.570 1.00 0.00 H +ATOM 313 CB ILE 20 34.250 25.290 25.030 1.00 0.00 C +ATOM 314 HB ILE 20 35.290 25.650 25.180 1.00 0.00 H +ATOM 315 CG2 ILE 20 33.620 25.050 26.470 1.00 0.00 C +ATOM 316 1HG2 ILE 20 32.550 24.830 26.270 1.00 0.00 H +ATOM 317 2HG2 ILE 20 34.138 24.152 26.870 1.00 0.00 H +ATOM 318 3HG2 ILE 20 33.650 25.938 27.138 1.00 0.00 H +ATOM 319 CG1 ILE 20 34.130 24.050 24.160 1.00 0.00 C +ATOM 320 1HG1 ILE 20 33.160 23.510 24.200 1.00 0.00 H +ATOM 321 2HG1 ILE 20 34.190 24.320 23.084 1.00 0.00 H +ATOM 322 CD ILE 20 35.230 23.030 24.500 1.00 0.00 C +ATOM 323 HD1 ILE 20 36.244 23.402 24.240 1.00 0.00 H +ATOM 324 HD2 ILE 20 35.300 22.890 25.600 1.00 0.00 H +ATOM 325 HD3 ILE 20 35.120 22.000 24.100 1.00 0.00 H +ATOM 326 C ILE 20 31.990 26.360 24.170 1.00 0.00 C +ATOM 327 O ILE 20 31.100 26.530 24.980 1.00 0.00 O +ATOM 328 N SER 21 31.600 25.950 22.950 1.00 0.00 N +ATOM 329 HN SER 21 32.148 25.650 22.172 1.00 0.00 H +ATOM 330 CA SER 21 30.250 26.010 22.480 1.00 0.00 C +ATOM 331 HA SER 21 29.592 26.240 23.306 1.00 0.00 H +ATOM 332 CB SER 21 29.830 26.950 21.310 1.00 0.00 C +ATOM 333 HB1 SER 21 30.480 26.800 20.420 1.00 0.00 H +ATOM 334 HB2 SER 21 28.740 26.960 21.090 1.00 0.00 H +ATOM 335 OG SER 21 30.120 28.250 21.820 1.00 0.00 O +ATOM 336 HG1 SER 21 29.454 28.390 22.496 1.00 0.00 H +ATOM 337 C SER 21 29.920 24.690 21.920 1.00 0.00 C +ATOM 338 O SER 21 30.810 24.030 21.470 1.00 0.00 O +ATOM 339 N GLY 22 28.610 24.290 21.920 1.00 0.00 N +ATOM 340 HN GLY 22 27.948 24.882 22.372 1.00 0.00 H +ATOM 341 CA GLY 22 28.210 23.020 21.300 1.00 0.00 C +ATOM 342 HA1 GLY 22 28.672 22.990 20.324 1.00 0.00 H +ATOM 343 HA2 GLY 22 28.610 22.200 21.880 1.00 0.00 H +ATOM 344 C GLY 22 26.750 22.910 21.310 1.00 0.00 C +ATOM 345 O GLY 22 26.020 23.330 22.200 1.00 0.00 O +ATOM 346 N ASN 23 26.220 22.140 20.300 1.00 0.00 N +ATOM 347 HN ASN 23 26.880 21.790 19.640 1.00 0.00 H +ATOM 348 CA ASN 23 24.770 21.880 20.150 1.00 0.00 C +ATOM 349 HA ASN 23 24.222 22.796 20.320 1.00 0.00 H +ATOM 350 CB ASN 23 24.440 21.620 18.660 1.00 0.00 C +ATOM 351 HB1 ASN 23 25.050 20.730 18.400 1.00 0.00 H +ATOM 352 HB2 ASN 23 23.386 21.348 18.440 1.00 0.00 H +ATOM 353 CG ASN 23 24.910 22.660 17.590 1.00 0.00 C +ATOM 354 OD1 ASN 23 24.890 22.310 16.400 1.00 0.00 O +ATOM 355 ND2 ASN 23 25.390 23.850 17.950 1.00 0.00 N +ATOM 356 1HD2 ASN 23 25.500 23.910 18.942 1.00 0.00 H +ATOM 357 2HD2 ASN 23 25.730 24.480 17.250 1.00 0.00 H +ATOM 358 C ASN 23 24.210 20.650 20.920 1.00 0.00 C +ATOM 359 O ASN 23 24.500 19.540 20.530 1.00 0.00 O +ATOM 360 N HIS 24 23.620 20.850 22.120 1.00 0.00 N +ATOM 361 HN HIS 24 23.610 21.784 22.468 1.00 0.00 H +ATOM 362 CA HIS 24 23.180 19.890 23.150 1.00 0.00 C +ATOM 363 HA HIS 24 23.170 18.874 22.782 1.00 0.00 H +ATOM 364 CB HIS 24 24.290 19.890 24.190 1.00 0.00 C +ATOM 365 HB1 HIS 24 24.520 20.942 24.460 1.00 0.00 H +ATOM 366 HB2 HIS 24 23.832 19.352 25.048 1.00 0.00 H +ATOM 367 ND1 HIS 24 25.520 17.830 23.450 1.00 0.00 N +ATOM 368 CG HIS 24 25.500 19.180 23.750 1.00 0.00 C +ATOM 369 CE1 HIS 24 26.730 17.570 22.950 1.00 0.00 C +ATOM 370 HE1 HIS 24 27.092 16.646 22.498 1.00 0.00 H +ATOM 371 NE2 HIS 24 27.430 18.710 22.910 1.00 0.00 N +ATOM 372 HE2 HIS 24 28.298 18.800 22.422 1.00 0.00 H +ATOM 373 CD2 HIS 24 26.670 19.710 23.420 1.00 0.00 C +ATOM 374 HD2 HIS 24 27.142 20.654 23.662 1.00 0.00 H +ATOM 375 C HIS 24 21.880 20.330 23.730 1.00 0.00 C +ATOM 376 O HIS 24 21.640 21.540 23.740 1.00 0.00 O +ATOM 377 N PRO 25 21.040 19.510 24.240 1.00 0.00 N +ATOM 378 CD PRO 25 20.890 18.150 23.710 1.00 0.00 C +ATOM 379 HD1 PRO 25 21.648 17.480 24.170 1.00 0.00 H +ATOM 380 HD2 PRO 25 20.930 18.200 22.600 1.00 0.00 H +ATOM 381 CA PRO 25 19.950 19.840 25.160 1.00 0.00 C +ATOM 382 HA PRO 25 19.280 20.530 24.670 1.00 0.00 H +ATOM 383 CB PRO 25 19.350 18.520 25.460 1.00 0.00 C +ATOM 384 HB1 PRO 25 20.062 18.118 26.212 1.00 0.00 H +ATOM 385 HB2 PRO 25 18.268 18.510 25.710 1.00 0.00 H +ATOM 386 CG PRO 25 19.510 17.700 24.120 1.00 0.00 C +ATOM 387 HG1 PRO 25 19.640 16.598 24.130 1.00 0.00 H +ATOM 388 HG2 PRO 25 18.656 17.928 23.446 1.00 0.00 H +ATOM 389 C PRO 25 20.540 20.600 26.430 1.00 0.00 C +ATOM 390 O PRO 25 21.700 20.490 26.810 1.00 0.00 O +ATOM 391 N LEU 26 19.710 21.490 27.060 1.00 0.00 N +ATOM 392 HN LEU 26 18.772 21.510 26.720 1.00 0.00 H +ATOM 393 CA LEU 26 19.960 22.150 28.260 1.00 0.00 C +ATOM 394 HA LEU 26 20.868 22.718 28.120 1.00 0.00 H +ATOM 395 CB LEU 26 18.840 23.110 28.810 1.00 0.00 C +ATOM 396 HB1 LEU 26 17.840 22.680 28.590 1.00 0.00 H +ATOM 397 HB2 LEU 26 18.770 23.060 29.918 1.00 0.00 H +ATOM 398 CG LEU 26 18.930 24.510 28.280 1.00 0.00 C +ATOM 399 HG LEU 26 18.850 24.420 27.176 1.00 0.00 H +ATOM 400 CD1 LEU 26 17.700 25.400 28.710 1.00 0.00 C +ATOM 401 1HD1 LEU 26 17.892 26.476 28.518 1.00 0.00 H +ATOM 402 2HD1 LEU 26 16.780 25.090 28.170 1.00 0.00 H +ATOM 403 3HD1 LEU 26 17.600 25.350 29.816 1.00 0.00 H +ATOM 404 CD2 LEU 26 20.160 25.240 28.840 1.00 0.00 C +ATOM 405 1HD2 LEU 26 20.110 25.260 29.948 1.00 0.00 H +ATOM 406 2HD2 LEU 26 21.168 24.812 28.650 1.00 0.00 H +ATOM 407 3HD2 LEU 26 20.130 26.280 28.450 1.00 0.00 H +ATOM 408 C LEU 26 20.200 21.140 29.390 1.00 0.00 C +ATOM 409 O LEU 26 19.530 20.100 29.580 1.00 0.00 O +ATOM 410 N TRP 27 21.280 21.420 30.150 1.00 0.00 N +ATOM 411 HN TRP 27 21.868 22.178 29.880 1.00 0.00 H +ATOM 412 CA TRP 27 21.720 20.830 31.370 1.00 0.00 C +ATOM 413 HA TRP 27 22.634 21.342 31.632 1.00 0.00 H +ATOM 414 CB TRP 27 20.690 20.880 32.600 1.00 0.00 C +ATOM 415 HB1 TRP 27 19.862 20.142 32.520 1.00 0.00 H +ATOM 416 HB2 TRP 27 21.330 20.590 33.460 1.00 0.00 H +ATOM 417 CG TRP 27 20.110 22.290 32.800 1.00 0.00 C +ATOM 418 CD1 TRP 27 18.820 22.640 32.560 1.00 0.00 C +ATOM 419 HD1 TRP 27 17.978 22.008 32.320 1.00 0.00 H +ATOM 420 NE1 TRP 27 18.700 24.020 32.810 1.00 0.00 N +ATOM 421 HE1 TRP 27 17.988 24.650 32.590 1.00 0.00 H +ATOM 422 CE2 TRP 27 19.910 24.490 33.120 1.00 0.00 C +ATOM 423 CD2 TRP 27 20.840 23.410 33.170 1.00 0.00 C +ATOM 424 CE3 TRP 27 22.130 23.620 33.560 1.00 0.00 C +ATOM 425 HE3 TRP 27 22.918 22.882 33.600 1.00 0.00 H +ATOM 426 CZ3 TRP 27 22.570 24.900 33.710 1.00 0.00 C +ATOM 427 HZ3 TRP 27 23.582 25.060 34.050 1.00 0.00 H +ATOM 428 CZ2 TRP 27 20.290 25.770 33.340 1.00 0.00 C +ATOM 429 HZ2 TRP 27 19.564 26.558 33.472 1.00 0.00 H +ATOM 430 CH2 TRP 27 21.660 25.960 33.680 1.00 0.00 C +ATOM 431 HH2 TRP 27 22.042 26.964 33.800 1.00 0.00 H +ATOM 432 C TRP 27 22.300 19.440 31.190 1.00 0.00 C +ATOM 433 O TRP 27 22.470 18.660 32.190 1.00 0.00 O +ATOM 434 N THR 28 22.770 19.050 29.950 1.00 0.00 N +ATOM 435 HN THR 28 22.750 19.714 29.206 1.00 0.00 H +ATOM 436 CA THR 28 23.370 17.760 29.640 1.00 0.00 C +ATOM 437 HA THR 28 23.160 17.010 30.390 1.00 0.00 H +ATOM 438 CB THR 28 22.790 17.200 28.340 1.00 0.00 C +ATOM 439 HB THR 28 23.212 16.218 28.040 1.00 0.00 H +ATOM 440 OG1 THR 28 23.090 18.050 27.230 1.00 0.00 O +ATOM 441 HG1 THR 28 22.660 18.902 27.330 1.00 0.00 H +ATOM 442 CG2 THR 28 21.240 17.080 28.500 1.00 0.00 C +ATOM 443 1HG2 THR 28 20.820 16.410 27.720 1.00 0.00 H +ATOM 444 2HG2 THR 28 20.788 16.768 29.466 1.00 0.00 H +ATOM 445 3HG2 THR 28 20.830 18.088 28.270 1.00 0.00 H +ATOM 446 C THR 28 24.850 17.720 29.410 1.00 0.00 C +ATOM 447 O THR 28 25.460 16.640 29.400 1.00 0.00 O +ATOM 448 N TRP 29 25.410 18.910 29.110 1.00 0.00 N +ATOM 449 HN TRP 29 24.880 19.750 29.190 1.00 0.00 H +ATOM 450 CA TRP 29 26.740 19.030 28.550 1.00 0.00 C +ATOM 451 HA TRP 29 27.178 18.052 28.410 1.00 0.00 H +ATOM 452 CB TRP 29 26.750 19.800 27.180 1.00 0.00 C +ATOM 453 HB1 TRP 29 25.936 19.438 26.516 1.00 0.00 H +ATOM 454 HB2 TRP 29 26.392 20.824 27.418 1.00 0.00 H +ATOM 455 CG TRP 29 28.100 19.750 26.440 1.00 0.00 C +ATOM 456 CD1 TRP 29 28.770 18.690 25.970 1.00 0.00 C +ATOM 457 HD1 TRP 29 28.460 17.668 26.130 1.00 0.00 H +ATOM 458 NE1 TRP 29 29.800 19.200 25.190 1.00 0.00 N +ATOM 459 HE1 TRP 29 30.440 18.720 24.630 1.00 0.00 H +ATOM 460 CE2 TRP 29 29.770 20.500 25.160 1.00 0.00 C +ATOM 461 CD2 TRP 29 28.710 20.970 25.930 1.00 0.00 C +ATOM 462 CE3 TRP 29 28.430 22.350 26.000 1.00 0.00 C +ATOM 463 HE3 TRP 29 27.642 22.640 26.678 1.00 0.00 H +ATOM 464 CZ3 TRP 29 29.290 23.170 25.250 1.00 0.00 C +ATOM 465 HZ3 TRP 29 29.022 24.216 25.200 1.00 0.00 H +ATOM 466 CZ2 TRP 29 30.650 21.320 24.510 1.00 0.00 C +ATOM 467 HZ2 TRP 29 31.476 21.042 23.872 1.00 0.00 H +ATOM 468 CH2 TRP 29 30.420 22.660 24.580 1.00 0.00 C +ATOM 469 HH2 TRP 29 31.090 23.320 24.050 1.00 0.00 H +ATOM 470 C TRP 29 27.580 19.770 29.550 1.00 0.00 C +ATOM 471 O TRP 29 27.270 21.000 29.830 1.00 0.00 O +ATOM 472 N TRP 30 28.610 19.130 30.010 1.00 0.00 N +ATOM 473 HN TRP 30 28.830 18.234 29.632 1.00 0.00 H +ATOM 474 CA TRP 30 29.430 19.440 31.150 1.00 0.00 C +ATOM 475 HA TRP 30 29.360 20.482 31.420 1.00 0.00 H +ATOM 476 CB TRP 30 28.850 18.590 32.360 1.00 0.00 C +ATOM 477 HB1 TRP 30 28.980 17.546 32.002 1.00 0.00 H +ATOM 478 HB2 TRP 30 29.476 18.740 33.266 1.00 0.00 H +ATOM 479 CG TRP 30 27.410 18.790 32.720 1.00 0.00 C +ATOM 480 CD1 TRP 30 26.290 18.050 32.400 1.00 0.00 C +ATOM 481 HD1 TRP 30 26.400 17.184 31.764 1.00 0.00 H +ATOM 482 NE1 TRP 30 25.150 18.590 32.990 1.00 0.00 N +ATOM 483 HE1 TRP 30 24.370 18.110 33.330 1.00 0.00 H +ATOM 484 CE2 TRP 30 25.460 19.790 33.520 1.00 0.00 C +ATOM 485 CD2 TRP 30 26.860 19.960 33.380 1.00 0.00 C +ATOM 486 CE3 TRP 30 27.430 21.120 33.930 1.00 0.00 C +ATOM 487 HE3 TRP 30 28.484 21.310 33.800 1.00 0.00 H +ATOM 488 CZ3 TRP 30 26.670 21.990 34.680 1.00 0.00 C +ATOM 489 HZ3 TRP 30 27.194 22.848 35.074 1.00 0.00 H +ATOM 490 CZ2 TRP 30 24.670 20.670 34.250 1.00 0.00 C +ATOM 491 HZ2 TRP 30 23.606 20.500 34.330 1.00 0.00 H +ATOM 492 CH2 TRP 30 25.300 21.780 34.840 1.00 0.00 C +ATOM 493 HH2 TRP 30 24.700 22.450 35.440 1.00 0.00 H +ATOM 494 C TRP 30 30.850 19.110 30.720 1.00 0.00 C +ATOM 495 O TRP 30 31.510 18.210 31.330 1.00 0.00 O +ATOM 496 N PRO 31 31.340 19.660 29.590 1.00 0.00 N +ATOM 497 CD PRO 31 30.850 20.850 28.820 1.00 0.00 C +ATOM 498 HD1 PRO 31 30.422 21.698 29.398 1.00 0.00 H +ATOM 499 HD2 PRO 31 30.098 20.468 28.098 1.00 0.00 H +ATOM 500 CA PRO 31 32.750 19.360 29.200 1.00 0.00 C +ATOM 501 HA PRO 31 32.830 18.286 29.120 1.00 0.00 H +ATOM 502 CB PRO 31 32.840 20.140 27.890 1.00 0.00 C +ATOM 503 HB1 PRO 31 33.830 20.534 27.576 1.00 0.00 H +ATOM 504 HB2 PRO 31 32.410 19.570 27.040 1.00 0.00 H +ATOM 505 CG PRO 31 32.020 21.410 28.140 1.00 0.00 C +ATOM 506 HG1 PRO 31 32.518 22.128 28.828 1.00 0.00 H +ATOM 507 HG2 PRO 31 31.600 21.960 27.270 1.00 0.00 H +ATOM 508 C PRO 31 33.810 19.710 30.230 1.00 0.00 C +ATOM 509 O PRO 31 33.630 20.510 31.180 1.00 0.00 O +ATOM 510 N VAL 32 35.020 19.250 29.890 1.00 0.00 N +ATOM 511 HN VAL 32 35.150 18.542 29.202 1.00 0.00 H +ATOM 512 CA VAL 32 36.210 19.880 30.490 1.00 0.00 C +ATOM 513 HA VAL 32 36.090 19.900 31.564 1.00 0.00 H +ATOM 514 CB VAL 32 37.500 19.080 30.220 1.00 0.00 C +ATOM 515 HB VAL 32 37.700 19.030 29.128 1.00 0.00 H +ATOM 516 CG1 VAL 32 38.640 19.680 31.070 1.00 0.00 C +ATOM 517 1HG1 VAL 32 38.860 20.718 30.740 1.00 0.00 H +ATOM 518 2HG1 VAL 32 38.370 19.660 32.148 1.00 0.00 H +ATOM 519 3HG1 VAL 32 39.584 19.108 30.950 1.00 0.00 H +ATOM 520 CG2 VAL 32 37.260 17.600 30.680 1.00 0.00 C +ATOM 521 1HG2 VAL 32 36.530 17.170 29.960 1.00 0.00 H +ATOM 522 2HG2 VAL 32 38.234 17.068 30.710 1.00 0.00 H +ATOM 523 3HG2 VAL 32 36.812 17.650 31.696 1.00 0.00 H +ATOM 524 C VAL 32 36.440 21.250 29.930 1.00 0.00 C +ATOM 525 O VAL 32 36.650 21.330 28.700 1.00 0.00 O +ATOM 526 N LEU 33 36.450 22.280 30.830 1.00 0.00 N +ATOM 527 HN LEU 33 36.190 22.200 31.790 1.00 0.00 H +ATOM 528 CA LEU 33 36.710 23.630 30.490 1.00 0.00 C +ATOM 529 HA LEU 33 36.400 23.730 29.460 1.00 0.00 H +ATOM 530 CB LEU 33 35.980 24.580 31.390 1.00 0.00 C +ATOM 531 HB1 LEU 33 36.332 24.338 32.416 1.00 0.00 H +ATOM 532 HB2 LEU 33 36.350 25.610 31.200 1.00 0.00 H +ATOM 533 CG LEU 33 34.410 24.530 31.340 1.00 0.00 C +ATOM 534 HG LEU 33 34.150 23.534 31.758 1.00 0.00 H +ATOM 535 CD1 LEU 33 33.870 25.480 32.450 1.00 0.00 C +ATOM 536 1HD1 LEU 33 34.140 25.280 33.508 1.00 0.00 H +ATOM 537 2HD1 LEU 33 34.228 26.484 32.132 1.00 0.00 H +ATOM 538 3HD1 LEU 33 32.760 25.530 32.430 1.00 0.00 H +ATOM 539 CD2 LEU 33 33.730 24.760 29.980 1.00 0.00 C +ATOM 540 1HD2 LEU 33 33.790 25.856 29.810 1.00 0.00 H +ATOM 541 2HD2 LEU 33 34.240 24.210 29.160 1.00 0.00 H +ATOM 542 3HD2 LEU 33 32.658 24.490 30.080 1.00 0.00 H +ATOM 543 C LEU 33 38.250 23.760 30.530 1.00 0.00 C +ATOM 544 O LEU 33 38.780 23.210 31.500 1.00 0.00 O +ATOM 545 N THR 34 38.860 24.440 29.540 1.00 0.00 N +ATOM 546 HN THR 34 38.312 24.788 28.784 1.00 0.00 H +ATOM 547 CA THR 34 40.310 24.580 29.480 1.00 0.00 C +ATOM 548 HA THR 34 40.640 24.450 30.500 1.00 0.00 H +ATOM 549 CB THR 34 41.090 23.540 28.610 1.00 0.00 C +ATOM 550 HB THR 34 42.190 23.700 28.640 1.00 0.00 H +ATOM 551 OG1 THR 34 40.580 23.640 27.230 1.00 0.00 O +ATOM 552 HG1 THR 34 41.030 24.440 26.950 1.00 0.00 H +ATOM 553 CG2 THR 34 40.740 22.160 29.220 1.00 0.00 C +ATOM 554 1HG2 THR 34 41.100 21.342 28.560 1.00 0.00 H +ATOM 555 2HG2 THR 34 41.050 22.010 30.276 1.00 0.00 H +ATOM 556 3HG2 THR 34 39.642 21.990 29.170 1.00 0.00 H +ATOM 557 C THR 34 40.720 25.950 29.070 1.00 0.00 C +ATOM 558 O THR 34 41.590 26.060 28.120 1.00 0.00 O +ATOM 559 N PRO 35 40.400 27.100 29.720 1.00 0.00 N +ATOM 560 CD PRO 35 39.670 27.110 30.980 1.00 0.00 C +ATOM 561 HD1 PRO 35 39.962 26.314 31.696 1.00 0.00 H +ATOM 562 HD2 PRO 35 38.566 27.150 30.870 1.00 0.00 H +ATOM 563 CA PRO 35 41.230 28.340 29.560 1.00 0.00 C +ATOM 564 HA PRO 35 41.190 28.682 28.536 1.00 0.00 H +ATOM 565 CB PRO 35 40.500 29.330 30.560 1.00 0.00 C +ATOM 566 HB1 PRO 35 41.292 30.072 30.790 1.00 0.00 H +ATOM 567 HB2 PRO 35 39.654 29.878 30.092 1.00 0.00 H +ATOM 568 CG PRO 35 40.020 28.460 31.650 1.00 0.00 C +ATOM 569 HG1 PRO 35 40.912 28.400 32.310 1.00 0.00 H +ATOM 570 HG2 PRO 35 39.238 28.750 32.382 1.00 0.00 H +ATOM 571 C PRO 35 42.690 28.300 30.100 1.00 0.00 C +ATOM 572 O PRO 35 42.950 27.490 31.020 1.00 0.00 O +ATOM 573 N ASP 36 43.670 29.020 29.600 1.00 0.00 N +ATOM 574 HN ASP 36 43.480 29.342 28.676 1.00 0.00 H +ATOM 575 CA ASP 36 44.890 29.240 30.300 1.00 0.00 C +ATOM 576 HA ASP 36 45.270 28.250 30.500 1.00 0.00 H +ATOM 577 CB ASP 36 45.920 30.050 29.460 1.00 0.00 C +ATOM 578 HB1 ASP 36 45.630 29.698 28.448 1.00 0.00 H +ATOM 579 HB2 ASP 36 45.810 31.152 29.560 1.00 0.00 H +ATOM 580 CG ASP 36 47.330 29.590 29.710 1.00 0.00 C +ATOM 581 OD1 ASP 36 47.680 28.650 28.930 1.00 0.00 O +ATOM 582 OD2 ASP 36 48.020 29.990 30.640 1.00 0.00 O +ATOM 583 C ASP 36 44.760 30.080 31.570 1.00 0.00 C +ATOM 584 O ASP 36 43.960 30.990 31.620 1.00 0.00 O +ATOM 585 N LEU 37 45.570 29.740 32.610 1.00 0.00 N +ATOM 586 HN LEU 37 45.958 28.824 32.550 1.00 0.00 H +ATOM 587 CA LEU 37 45.750 30.520 33.820 1.00 0.00 C +ATOM 588 HA LEU 37 44.736 30.520 34.192 1.00 0.00 H +ATOM 589 CB LEU 37 46.840 29.740 34.640 1.00 0.00 C +ATOM 590 HB1 LEU 37 46.590 28.660 34.710 1.00 0.00 H +ATOM 591 HB2 LEU 37 47.778 29.840 34.052 1.00 0.00 H +ATOM 592 CG LEU 37 47.140 30.330 36.030 1.00 0.00 C +ATOM 593 HG LEU 37 47.370 31.414 35.950 1.00 0.00 H +ATOM 594 CD1 LEU 37 45.960 30.110 36.950 1.00 0.00 C +ATOM 595 1HD1 LEU 37 45.082 30.528 36.412 1.00 0.00 H +ATOM 596 2HD1 LEU 37 45.880 29.010 37.080 1.00 0.00 H +ATOM 597 3HD1 LEU 37 46.020 30.598 37.946 1.00 0.00 H +ATOM 598 CD2 LEU 37 48.400 29.660 36.570 1.00 0.00 C +ATOM 599 1HD2 LEU 37 48.132 28.624 36.868 1.00 0.00 H +ATOM 600 2HD2 LEU 37 49.360 29.690 36.010 1.00 0.00 H +ATOM 601 3HD2 LEU 37 48.718 30.188 37.496 1.00 0.00 H +ATOM 602 C LEU 37 46.100 31.960 33.570 1.00 0.00 C +ATOM 603 O LEU 37 45.470 32.870 34.110 1.00 0.00 O +ATOM 604 N CYS 38 47.030 32.210 32.650 1.00 0.00 N +ATOM 605 HN CYS 38 47.514 31.506 32.136 1.00 0.00 H +ATOM 606 CA CYS 38 47.320 33.530 32.190 1.00 0.00 C +ATOM 607 HA CYS 38 47.692 34.042 33.064 1.00 0.00 H +ATOM 608 CB CYS 38 48.290 33.480 30.980 1.00 0.00 C +ATOM 609 HB1 CYS 38 47.800 32.940 30.140 1.00 0.00 H +ATOM 610 HB2 CYS 38 48.390 34.536 30.648 1.00 0.00 H +ATOM 611 SG CYS 38 50.010 32.870 31.320 1.00 0.00 S +ATOM 612 C CYS 38 46.060 34.400 31.660 1.00 0.00 C +ATOM 613 O CYS 38 45.990 35.550 32.030 1.00 0.00 O +ATOM 614 N MET 39 45.080 33.820 30.910 1.00 0.00 N +ATOM 615 HN MET 39 45.282 32.944 30.478 1.00 0.00 H +ATOM 616 CA MET 39 43.960 34.540 30.350 1.00 0.00 C +ATOM 617 HA MET 39 44.318 35.486 29.972 1.00 0.00 H +ATOM 618 CB MET 39 43.290 33.700 29.170 1.00 0.00 C +ATOM 619 HB1 MET 39 43.110 32.646 29.472 1.00 0.00 H +ATOM 620 HB2 MET 39 42.318 34.170 28.910 1.00 0.00 H +ATOM 621 CG MET 39 44.140 33.450 27.900 1.00 0.00 C +ATOM 622 HG1 MET 39 44.530 34.452 27.620 1.00 0.00 H +ATOM 623 HG2 MET 39 45.024 32.826 28.152 1.00 0.00 H +ATOM 624 SD MET 39 43.160 32.830 26.470 1.00 0.00 S +ATOM 625 CE MET 39 43.360 31.080 26.980 1.00 0.00 C +ATOM 626 HE1 MET 39 42.742 30.422 26.332 1.00 0.00 H +ATOM 627 HE2 MET 39 44.428 30.820 27.140 1.00 0.00 H +ATOM 628 HE3 MET 39 42.912 30.880 27.976 1.00 0.00 H +ATOM 629 C MET 39 42.900 34.930 31.370 1.00 0.00 C +ATOM 630 O MET 39 41.970 35.760 31.180 1.00 0.00 O +ATOM 631 N LEU 40 42.980 34.340 32.560 1.00 0.00 N +ATOM 632 HN LEU 40 43.672 33.658 32.780 1.00 0.00 H +ATOM 633 CA LEU 40 42.020 34.750 33.600 1.00 0.00 C +ATOM 634 HA LEU 40 41.028 34.870 33.190 1.00 0.00 H +ATOM 635 CB LEU 40 42.000 33.730 34.770 1.00 0.00 C +ATOM 636 HB1 LEU 40 43.046 33.780 35.142 1.00 0.00 H +ATOM 637 HB2 LEU 40 41.300 34.050 35.570 1.00 0.00 H +ATOM 638 CG LEU 40 41.770 32.310 34.360 1.00 0.00 C +ATOM 639 HG LEU 40 42.472 31.970 33.568 1.00 0.00 H +ATOM 640 CD1 LEU 40 42.030 31.430 35.600 1.00 0.00 C +ATOM 641 1HD1 LEU 40 43.134 31.420 35.730 1.00 0.00 H +ATOM 642 2HD1 LEU 40 41.480 31.850 36.470 1.00 0.00 H +ATOM 643 3HD1 LEU 40 41.720 30.368 35.510 1.00 0.00 H +ATOM 644 CD2 LEU 40 40.430 31.910 33.790 1.00 0.00 C +ATOM 645 1HD2 LEU 40 40.450 30.976 33.188 1.00 0.00 H +ATOM 646 2HD2 LEU 40 39.508 32.010 34.402 1.00 0.00 H +ATOM 647 3HD2 LEU 40 40.390 32.596 32.916 1.00 0.00 H +ATOM 648 C LEU 40 42.410 36.060 34.250 1.00 0.00 C +ATOM 649 O LEU 40 41.670 36.670 35.020 1.00 0.00 O +ATOM 650 N ALA 41 43.620 36.490 34.020 1.00 0.00 N +ATOM 651 HN ALA 41 44.250 35.900 33.520 1.00 0.00 H +ATOM 652 CA ALA 41 44.140 37.740 34.540 1.00 0.00 C +ATOM 653 HA ALA 41 43.448 38.252 35.192 1.00 0.00 H +ATOM 654 CB ALA 41 45.410 37.380 35.290 1.00 0.00 C +ATOM 655 HB1 ALA 41 45.160 36.940 36.280 1.00 0.00 H +ATOM 656 HB2 ALA 41 45.948 36.644 34.654 1.00 0.00 H +ATOM 657 HB3 ALA 41 46.086 38.226 35.538 1.00 0.00 H +ATOM 658 C ALA 41 44.420 38.630 33.420 1.00 0.00 C +ATOM 659 O ALA 41 45.240 39.560 33.580 1.00 0.00 O +ATOM 660 N LEU 42 43.710 38.560 32.280 1.00 0.00 N +ATOM 661 HN LEU 42 43.040 37.860 32.050 1.00 0.00 H +ATOM 662 CA LEU 42 43.650 39.600 31.260 1.00 0.00 C +ATOM 663 HA LEU 42 44.638 40.018 31.130 1.00 0.00 H +ATOM 664 CB LEU 42 43.050 39.020 29.910 1.00 0.00 C +ATOM 665 HB1 LEU 42 42.214 38.352 30.208 1.00 0.00 H +ATOM 666 HB2 LEU 42 42.690 39.830 29.240 1.00 0.00 H +ATOM 667 CG LEU 42 44.080 38.210 29.160 1.00 0.00 C +ATOM 668 HG LEU 42 44.512 37.518 29.914 1.00 0.00 H +ATOM 669 CD1 LEU 42 43.490 37.420 27.910 1.00 0.00 C +ATOM 670 1HD1 LEU 42 43.058 38.174 27.218 1.00 0.00 H +ATOM 671 2HD1 LEU 42 44.308 36.952 27.322 1.00 0.00 H +ATOM 672 3HD1 LEU 42 42.780 36.700 28.370 1.00 0.00 H +ATOM 673 CD2 LEU 42 45.180 39.150 28.640 1.00 0.00 C +ATOM 674 1HD2 LEU 42 46.034 38.566 28.238 1.00 0.00 H +ATOM 675 2HD2 LEU 42 44.724 39.804 27.866 1.00 0.00 H +ATOM 676 3HD2 LEU 42 45.712 39.782 29.382 1.00 0.00 H +ATOM 677 C LEU 42 42.830 40.800 31.830 1.00 0.00 C +ATOM 678 O LEU 42 41.640 40.740 32.020 1.00 0.00 O +ATOM 679 N SER 43 43.570 41.880 32.190 1.00 0.00 N +ATOM 680 HN SER 43 44.542 41.910 31.970 1.00 0.00 H +ATOM 681 CA SER 43 43.100 43.130 32.870 1.00 0.00 C +ATOM 682 HA SER 43 43.966 43.774 32.880 1.00 0.00 H +ATOM 683 CB SER 43 41.850 43.820 32.170 1.00 0.00 C +ATOM 684 HB1 SER 43 42.268 44.248 31.234 1.00 0.00 H +ATOM 685 HB2 SER 43 41.060 43.070 31.950 1.00 0.00 H +ATOM 686 OG SER 43 41.330 44.870 32.980 1.00 0.00 O +ATOM 687 HG1 SER 43 40.780 44.350 33.570 1.00 0.00 H +ATOM 688 C SER 43 42.950 42.810 34.360 1.00 0.00 C +ATOM 689 O SER 43 42.090 43.300 35.090 1.00 0.00 O +ATOM 690 N GLY 44 43.880 42.000 34.860 1.00 0.00 N +ATOM 691 HN GLY 44 44.570 41.620 34.250 1.00 0.00 H +ATOM 692 CA GLY 44 43.890 41.420 36.190 1.00 0.00 C +ATOM 693 HA1 GLY 44 43.018 41.700 36.762 1.00 0.00 H +ATOM 694 HA2 GLY 44 44.060 40.358 36.100 1.00 0.00 H +ATOM 695 C GLY 44 45.090 41.970 36.980 1.00 0.00 C +ATOM 696 O GLY 44 45.830 42.850 36.520 1.00 0.00 O +ATOM 697 N PRO 45 45.150 41.540 38.290 1.00 0.00 N +ATOM 698 CD PRO 45 44.150 40.570 38.960 1.00 0.00 C +ATOM 699 HD1 PRO 45 44.220 39.554 38.518 1.00 0.00 H +ATOM 700 HD2 PRO 45 43.140 41.030 38.910 1.00 0.00 H +ATOM 701 CA PRO 45 46.140 42.080 39.210 1.00 0.00 C +ATOM 702 HA PRO 45 45.868 43.036 39.632 1.00 0.00 H +ATOM 703 CB PRO 45 46.080 41.090 40.400 1.00 0.00 C +ATOM 704 HB1 PRO 45 46.728 40.212 40.190 1.00 0.00 H +ATOM 705 HB2 PRO 45 46.290 41.570 41.380 1.00 0.00 H +ATOM 706 CG PRO 45 44.640 40.610 40.470 1.00 0.00 C +ATOM 707 HG1 PRO 45 44.540 39.680 41.070 1.00 0.00 H +ATOM 708 HG2 PRO 45 43.930 41.310 40.960 1.00 0.00 H +ATOM 709 C PRO 45 47.640 42.250 38.790 1.00 0.00 C +ATOM 710 O PRO 45 48.140 41.420 38.010 1.00 0.00 O +ATOM 711 N PRO 46 48.390 43.180 39.310 1.00 0.00 N +ATOM 712 CD PRO 46 47.860 44.330 40.140 1.00 0.00 C +ATOM 713 HD1 PRO 46 47.350 44.000 41.070 1.00 0.00 H +ATOM 714 HD2 PRO 46 47.142 44.908 39.522 1.00 0.00 H +ATOM 715 CA PRO 46 49.760 43.480 38.790 1.00 0.00 C +ATOM 716 HA PRO 46 49.710 43.450 37.712 1.00 0.00 H +ATOM 717 CB PRO 46 50.110 44.880 39.310 1.00 0.00 C +ATOM 718 HB1 PRO 46 51.126 44.900 39.758 1.00 0.00 H +ATOM 719 HB2 PRO 46 50.060 45.586 38.454 1.00 0.00 H +ATOM 720 CG PRO 46 49.150 45.220 40.490 1.00 0.00 C +ATOM 721 HG1 PRO 46 49.630 44.720 41.360 1.00 0.00 H +ATOM 722 HG2 PRO 46 48.880 46.284 40.660 1.00 0.00 H +ATOM 723 C PRO 46 50.860 42.450 39.020 1.00 0.00 C +ATOM 724 O PRO 46 51.860 42.550 38.340 1.00 0.00 O +ATOM 725 N HIS 47 50.770 41.420 39.870 1.00 0.00 N +ATOM 726 HN HIS 47 50.008 41.260 40.492 1.00 0.00 H +ATOM 727 CA HIS 47 51.710 40.340 39.840 1.00 0.00 C +ATOM 728 HA HIS 47 52.720 40.610 40.110 1.00 0.00 H +ATOM 729 CB HIS 47 51.390 39.280 40.990 1.00 0.00 C +ATOM 730 HB1 HIS 47 51.640 39.768 41.956 1.00 0.00 H +ATOM 731 HB2 HIS 47 50.324 38.972 40.920 1.00 0.00 H +ATOM 732 ND1 HIS 47 53.430 37.800 41.270 1.00 0.00 N +ATOM 733 CG HIS 47 52.150 38.010 40.800 1.00 0.00 C +ATOM 734 CE1 HIS 47 53.620 36.560 40.940 1.00 0.00 C +ATOM 735 HE1 HIS 47 54.582 36.080 41.120 1.00 0.00 H +ATOM 736 NE2 HIS 47 52.620 36.020 40.210 1.00 0.00 N +ATOM 737 HE2 HIS 47 52.700 35.170 39.690 1.00 0.00 H +ATOM 738 CD2 HIS 47 51.610 36.930 40.130 1.00 0.00 C +ATOM 739 HD2 HIS 47 50.630 36.800 39.690 1.00 0.00 H +ATOM 740 C HIS 47 51.900 39.650 38.470 1.00 0.00 C +ATOM 741 O HIS 47 53.010 39.400 38.020 1.00 0.00 O +ATOM 742 N TRP 48 50.780 39.430 37.770 1.00 0.00 N +ATOM 743 HN TRP 48 49.880 39.630 38.150 1.00 0.00 H +ATOM 744 CA TRP 48 50.750 38.740 36.540 1.00 0.00 C +ATOM 745 HA TRP 48 51.332 37.846 36.700 1.00 0.00 H +ATOM 746 CB TRP 48 49.150 38.470 36.330 1.00 0.00 C +ATOM 747 HB1 TRP 48 48.570 39.398 36.140 1.00 0.00 H +ATOM 748 HB2 TRP 48 49.160 37.950 35.348 1.00 0.00 H +ATOM 749 CG TRP 48 48.420 37.690 37.390 1.00 0.00 C +ATOM 750 CD1 TRP 48 47.560 38.110 38.310 1.00 0.00 C +ATOM 751 HD1 TRP 48 46.912 38.968 38.210 1.00 0.00 H +ATOM 752 NE1 TRP 48 47.230 37.080 39.100 1.00 0.00 N +ATOM 753 HE1 TRP 48 46.522 36.910 39.750 1.00 0.00 H +ATOM 754 CE2 TRP 48 47.930 36.000 38.790 1.00 0.00 C +ATOM 755 CD2 TRP 48 48.770 36.370 37.740 1.00 0.00 C +ATOM 756 CE3 TRP 48 49.680 35.470 37.230 1.00 0.00 C +ATOM 757 HE3 TRP 48 50.304 35.752 36.396 1.00 0.00 H +ATOM 758 CZ3 TRP 48 49.820 34.190 37.760 1.00 0.00 C +ATOM 759 HZ3 TRP 48 50.630 33.540 37.460 1.00 0.00 H +ATOM 760 CZ2 TRP 48 47.980 34.680 39.320 1.00 0.00 C +ATOM 761 HZ2 TRP 48 47.480 34.350 40.220 1.00 0.00 H +ATOM 762 CH2 TRP 48 48.990 33.790 38.790 1.00 0.00 C +ATOM 763 HH2 TRP 48 49.220 32.872 39.310 1.00 0.00 H +ATOM 764 C TRP 48 51.240 39.530 35.330 1.00 0.00 C +ATOM 765 O TRP 48 51.720 38.930 34.360 1.00 0.00 O +ATOM 766 N GLY 49 51.150 40.870 35.340 1.00 0.00 N +ATOM 767 HN GLY 49 50.800 41.280 36.180 1.00 0.00 H +ATOM 768 CA GLY 49 51.670 41.760 34.300 1.00 0.00 C +ATOM 769 HA1 GLY 49 51.480 42.736 34.722 1.00 0.00 H +ATOM 770 HA2 GLY 49 52.710 41.500 34.160 1.00 0.00 H +ATOM 771 C GLY 49 50.970 41.730 32.980 1.00 0.00 C +ATOM 772 O GLY 49 51.480 42.040 31.950 1.00 0.00 O +ATOM 773 N LEU 50 49.690 41.310 33.000 1.00 0.00 N +ATOM 774 HN LEU 50 49.470 40.990 33.918 1.00 0.00 H +ATOM 775 CA LEU 50 48.760 41.370 31.780 1.00 0.00 C +ATOM 776 HA LEU 50 49.378 41.590 30.922 1.00 0.00 H +ATOM 777 CB LEU 50 48.030 39.980 31.520 1.00 0.00 C +ATOM 778 HB1 LEU 50 47.372 39.662 32.358 1.00 0.00 H +ATOM 779 HB2 LEU 50 47.250 40.120 30.740 1.00 0.00 H +ATOM 780 CG LEU 50 48.980 38.880 31.080 1.00 0.00 C +ATOM 781 HG LEU 50 49.380 38.350 31.970 1.00 0.00 H +ATOM 782 CD1 LEU 50 48.160 37.820 30.400 1.00 0.00 C +ATOM 783 1HD1 LEU 50 47.318 37.388 30.982 1.00 0.00 H +ATOM 784 2HD1 LEU 50 47.850 38.170 29.392 1.00 0.00 H +ATOM 785 3HD1 LEU 50 48.810 36.980 30.070 1.00 0.00 H +ATOM 786 CD2 LEU 50 49.950 39.320 29.980 1.00 0.00 C +ATOM 787 1HD2 LEU 50 50.700 40.110 30.200 1.00 0.00 H +ATOM 788 2HD2 LEU 50 50.420 38.420 29.530 1.00 0.00 H +ATOM 789 3HD2 LEU 50 49.340 39.770 29.168 1.00 0.00 H +ATOM 790 C LEU 50 47.650 42.360 32.000 1.00 0.00 C +ATOM 791 O LEU 50 46.540 42.220 31.440 1.00 0.00 O +ATOM 792 N GLU 51 47.830 43.390 32.860 1.00 0.00 N +ATOM 793 HN GLU 51 48.768 43.430 33.198 1.00 0.00 H +ATOM 794 CA GLU 51 46.860 44.390 33.340 1.00 0.00 C +ATOM 795 HA GLU 51 46.166 43.766 33.884 1.00 0.00 H +ATOM 796 CB GLU 51 47.400 45.360 34.440 1.00 0.00 C +ATOM 797 HB1 GLU 51 47.760 46.328 34.030 1.00 0.00 H +ATOM 798 HB2 GLU 51 46.568 45.610 35.132 1.00 0.00 H +ATOM 799 CG GLU 51 48.450 44.740 35.410 1.00 0.00 C +ATOM 800 HG1 GLU 51 48.440 45.134 36.448 1.00 0.00 H +ATOM 801 HG2 GLU 51 48.340 43.634 35.410 1.00 0.00 H +ATOM 802 CD GLU 51 49.860 45.150 34.880 1.00 0.00 C +ATOM 803 OE1 GLU 51 50.240 44.870 33.700 1.00 0.00 O +ATOM 804 OE2 GLU 51 50.580 45.820 35.630 1.00 0.00 O +ATOM 805 C GLU 51 46.200 45.200 32.270 1.00 0.00 C +ATOM 806 O GLU 51 45.020 45.640 32.250 1.00 0.00 O +ATOM 807 N TYR 52 47.050 45.560 31.280 1.00 0.00 N +ATOM 808 HN TYR 52 48.030 45.400 31.370 1.00 0.00 H +ATOM 809 CA TYR 52 46.720 46.440 30.180 1.00 0.00 C +ATOM 810 HA TYR 52 45.868 47.032 30.480 1.00 0.00 H +ATOM 811 CB TYR 52 47.860 47.530 29.940 1.00 0.00 C +ATOM 812 HB1 TYR 52 48.694 46.998 29.438 1.00 0.00 H +ATOM 813 HB2 TYR 52 47.490 48.360 29.300 1.00 0.00 H +ATOM 814 CG TYR 52 48.390 48.120 31.240 1.00 0.00 C +ATOM 815 CD1 TYR 52 47.530 48.990 31.980 1.00 0.00 C +ATOM 816 HD1 TYR 52 46.602 49.310 31.530 1.00 0.00 H +ATOM 817 CE1 TYR 52 47.960 49.530 33.210 1.00 0.00 C +ATOM 818 HE1 TYR 52 47.440 50.292 33.772 1.00 0.00 H +ATOM 819 CZ TYR 52 49.220 49.160 33.720 1.00 0.00 C +ATOM 820 OH TYR 52 49.700 49.770 34.840 1.00 0.00 O +ATOM 821 HH TYR 52 50.496 49.362 35.188 1.00 0.00 H +ATOM 822 CD2 TYR 52 49.630 47.740 31.770 1.00 0.00 C +ATOM 823 HD2 TYR 52 50.314 47.016 31.354 1.00 0.00 H +ATOM 824 CE2 TYR 52 49.990 48.240 33.000 1.00 0.00 C +ATOM 825 HE2 TYR 52 50.938 47.890 33.380 1.00 0.00 H +ATOM 826 C TYR 52 46.310 45.820 28.900 1.00 0.00 C +ATOM 827 O TYR 52 46.370 46.360 27.860 1.00 0.00 O +ATOM 828 N GLN 53 45.910 44.500 28.980 1.00 0.00 N +ATOM 829 HN GLN 53 45.668 44.088 29.854 1.00 0.00 H +ATOM 830 CA GLN 53 45.590 43.640 27.840 1.00 0.00 C +ATOM 831 HA GLN 53 45.620 44.128 26.876 1.00 0.00 H +ATOM 832 CB GLN 53 46.560 42.400 27.680 1.00 0.00 C +ATOM 833 HB1 GLN 53 46.830 42.130 28.722 1.00 0.00 H +ATOM 834 HB2 GLN 53 45.998 41.548 27.240 1.00 0.00 H +ATOM 835 CG GLN 53 47.900 42.620 26.920 1.00 0.00 C +ATOM 836 HG1 GLN 53 47.610 43.030 25.930 1.00 0.00 H +ATOM 837 HG2 GLN 53 48.512 43.342 27.502 1.00 0.00 H +ATOM 838 CD GLN 53 48.710 41.370 26.800 1.00 0.00 C +ATOM 839 OE1 GLN 53 49.860 41.330 27.300 1.00 0.00 O +ATOM 840 NE2 GLN 53 48.170 40.350 26.140 1.00 0.00 N +ATOM 841 1HE2 GLN 53 47.314 40.390 25.622 1.00 0.00 H +ATOM 842 2HE2 GLN 53 48.750 39.558 25.950 1.00 0.00 H +ATOM 843 C GLN 53 44.200 43.160 28.020 1.00 0.00 C +ATOM 844 O GLN 53 43.780 42.740 29.090 1.00 0.00 O +ATOM 845 N ALA 54 43.430 43.310 26.920 1.00 0.00 N +ATOM 846 HN ALA 54 43.750 43.798 26.112 1.00 0.00 H +ATOM 847 CA ALA 54 42.030 42.970 26.890 1.00 0.00 C +ATOM 848 HA ALA 54 41.592 43.308 27.818 1.00 0.00 H +ATOM 849 CB ALA 54 41.330 43.720 25.710 1.00 0.00 C +ATOM 850 HB1 ALA 54 40.652 43.172 25.022 1.00 0.00 H +ATOM 851 HB2 ALA 54 40.910 44.718 25.960 1.00 0.00 H +ATOM 852 HB3 ALA 54 42.136 44.018 25.004 1.00 0.00 H +ATOM 853 C ALA 54 41.750 41.500 26.770 1.00 0.00 C +ATOM 854 O ALA 54 42.650 40.840 26.200 1.00 0.00 O +ATOM 855 N PRO 55 40.600 40.960 27.170 1.00 0.00 N +ATOM 856 CD PRO 55 39.820 41.560 28.260 1.00 0.00 C +ATOM 857 HD1 PRO 55 39.310 42.490 27.930 1.00 0.00 H +ATOM 858 HD2 PRO 55 40.424 41.732 29.176 1.00 0.00 H +ATOM 859 CA PRO 55 40.010 39.720 26.710 1.00 0.00 C +ATOM 860 HA PRO 55 40.532 38.918 27.212 1.00 0.00 H +ATOM 861 CB PRO 55 38.580 39.790 27.130 1.00 0.00 C +ATOM 862 HB1 PRO 55 37.890 40.230 26.380 1.00 0.00 H +ATOM 863 HB2 PRO 55 38.132 38.786 27.290 1.00 0.00 H +ATOM 864 CG PRO 55 38.680 40.530 28.510 1.00 0.00 C +ATOM 865 HG1 PRO 55 37.698 40.980 28.770 1.00 0.00 H +ATOM 866 HG2 PRO 55 39.090 39.880 29.312 1.00 0.00 H +ATOM 867 C PRO 55 40.330 39.350 25.250 1.00 0.00 C +ATOM 868 O PRO 55 40.240 40.210 24.350 1.00 0.00 O +ATOM 869 N TYR 56 40.800 38.090 25.020 1.00 0.00 N +ATOM 870 HN TYR 56 40.900 37.478 25.802 1.00 0.00 H +ATOM 871 CA TYR 56 41.060 37.430 23.770 1.00 0.00 C +ATOM 872 HA TYR 56 41.220 36.382 23.980 1.00 0.00 H +ATOM 873 CB TYR 56 39.860 37.480 22.810 1.00 0.00 C +ATOM 874 HB1 TYR 56 39.610 38.542 22.600 1.00 0.00 H +ATOM 875 HB2 TYR 56 40.150 36.930 21.890 1.00 0.00 H +ATOM 876 CG TYR 56 38.590 36.830 23.330 1.00 0.00 C +ATOM 877 CD1 TYR 56 38.680 35.450 23.610 1.00 0.00 C +ATOM 878 HD1 TYR 56 39.638 34.960 23.520 1.00 0.00 H +ATOM 879 CE1 TYR 56 37.530 34.770 24.030 1.00 0.00 C +ATOM 880 HE1 TYR 56 37.640 33.698 24.110 1.00 0.00 H +ATOM 881 CZ TYR 56 36.320 35.420 24.060 1.00 0.00 C +ATOM 882 OH TYR 56 35.210 34.590 24.350 1.00 0.00 O +ATOM 883 HH TYR 56 34.436 35.082 24.068 1.00 0.00 H +ATOM 884 CD2 TYR 56 37.350 37.500 23.470 1.00 0.00 C +ATOM 885 HD2 TYR 56 37.240 38.546 23.228 1.00 0.00 H +ATOM 886 CE2 TYR 56 36.240 36.780 23.830 1.00 0.00 C +ATOM 887 HE2 TYR 56 35.276 37.262 23.750 1.00 0.00 H +ATOM 888 C TYR 56 42.320 37.870 23.060 1.00 0.00 C +ATOM 889 O TYR 56 42.590 37.360 21.980 1.00 0.00 O +ATOM 890 N SER 57 43.150 38.750 23.660 1.00 0.00 N +ATOM 891 HN SER 57 42.910 39.150 24.540 1.00 0.00 H +ATOM 892 CA SER 57 44.450 39.240 23.180 1.00 0.00 C +ATOM 893 HA SER 57 44.350 39.480 22.132 1.00 0.00 H +ATOM 894 CB SER 57 44.990 40.480 24.000 1.00 0.00 C +ATOM 895 HB1 SER 57 45.868 40.910 23.472 1.00 0.00 H +ATOM 896 HB2 SER 57 44.196 41.254 24.070 1.00 0.00 H +ATOM 897 OG SER 57 45.240 40.130 25.360 1.00 0.00 O +ATOM 898 HG1 SER 57 44.438 40.370 25.830 1.00 0.00 H +ATOM 899 C SER 57 45.490 38.160 23.180 1.00 0.00 C +ATOM 900 O SER 57 45.480 37.160 23.880 1.00 0.00 O +ATOM 901 N SER 58 46.550 38.340 22.240 1.00 0.00 N +ATOM 902 HN SER 58 46.500 39.120 21.620 1.00 0.00 H +ATOM 903 CA SER 58 47.690 37.440 22.100 1.00 0.00 C +ATOM 904 HA SER 58 47.268 36.446 22.130 1.00 0.00 H +ATOM 905 CB SER 58 48.370 37.680 20.720 1.00 0.00 C +ATOM 906 HB1 SER 58 48.658 38.754 20.710 1.00 0.00 H +ATOM 907 HB2 SER 58 49.298 37.070 20.740 1.00 0.00 H +ATOM 908 OG SER 58 47.620 37.210 19.610 1.00 0.00 O +ATOM 909 HG1 SER 58 46.790 37.690 19.580 1.00 0.00 H +ATOM 910 C SER 58 48.650 37.530 23.240 1.00 0.00 C +ATOM 911 O SER 58 48.710 38.570 23.930 1.00 0.00 O +ATOM 912 N PRO 59 49.470 36.470 23.450 1.00 0.00 N +ATOM 913 CD PRO 59 49.200 35.090 22.880 1.00 0.00 C +ATOM 914 HD1 PRO 59 49.420 35.200 21.798 1.00 0.00 H +ATOM 915 HD2 PRO 59 48.134 34.850 23.080 1.00 0.00 H +ATOM 916 CA PRO 59 50.500 36.500 24.440 1.00 0.00 C +ATOM 917 HA PRO 59 49.978 36.910 25.292 1.00 0.00 H +ATOM 918 CB PRO 59 50.990 35.030 24.530 1.00 0.00 C +ATOM 919 HB1 PRO 59 52.046 34.980 24.188 1.00 0.00 H +ATOM 920 HB2 PRO 59 51.020 34.700 25.590 1.00 0.00 H +ATOM 921 CG PRO 59 50.100 34.150 23.700 1.00 0.00 C +ATOM 922 HG1 PRO 59 50.610 33.530 22.930 1.00 0.00 H +ATOM 923 HG2 PRO 59 49.452 33.502 24.328 1.00 0.00 H +ATOM 924 C PRO 59 51.650 37.490 24.070 1.00 0.00 C +ATOM 925 O PRO 59 52.060 37.570 22.910 1.00 0.00 O +ATOM 926 N PRO 60 52.200 38.230 24.930 1.00 0.00 N +ATOM 927 CD PRO 60 51.680 38.410 26.290 1.00 0.00 C +ATOM 928 HD1 PRO 60 51.690 37.444 26.838 1.00 0.00 H +ATOM 929 HD2 PRO 60 50.620 38.740 26.250 1.00 0.00 H +ATOM 930 CA PRO 60 53.260 39.170 24.700 1.00 0.00 C +ATOM 931 HA PRO 60 53.250 39.618 23.716 1.00 0.00 H +ATOM 932 CB PRO 60 52.950 40.250 25.690 1.00 0.00 C +ATOM 933 HB1 PRO 60 53.774 40.954 25.932 1.00 0.00 H +ATOM 934 HB2 PRO 60 52.086 40.792 25.248 1.00 0.00 H +ATOM 935 CG PRO 60 52.560 39.470 26.980 1.00 0.00 C +ATOM 936 HG1 PRO 60 53.470 39.060 27.470 1.00 0.00 H +ATOM 937 HG2 PRO 60 51.932 40.118 27.628 1.00 0.00 H +ATOM 938 C PRO 60 54.650 38.540 24.970 1.00 0.00 C +ATOM 939 O PRO 60 54.750 37.330 25.150 1.00 0.00 O +ATOM 940 N GLY 61 55.720 39.440 24.920 1.00 0.00 N +ATOM 941 HN GLY 61 55.580 40.388 24.640 1.00 0.00 H +ATOM 942 CA GLY 61 57.070 38.970 24.930 1.00 0.00 C +ATOM 943 HA1 GLY 61 57.576 39.746 25.486 1.00 0.00 H +ATOM 944 HA2 GLY 61 57.120 38.068 25.522 1.00 0.00 H +ATOM 945 C GLY 61 57.720 38.600 23.580 1.00 0.00 C +ATOM 946 O GLY 61 57.060 38.080 22.630 1.00 0.00 O +ATOM 947 N PRO 62 59.050 38.870 23.450 1.00 0.00 N +ATOM 948 CD PRO 62 59.950 39.620 24.380 1.00 0.00 C +ATOM 949 HD1 PRO 62 60.220 39.110 25.330 1.00 0.00 H +ATOM 950 HD2 PRO 62 59.460 40.582 24.640 1.00 0.00 H +ATOM 951 CA PRO 62 59.880 38.310 22.350 1.00 0.00 C +ATOM 952 HA PRO 62 59.500 38.810 21.470 1.00 0.00 H +ATOM 953 CB PRO 62 61.410 38.680 22.720 1.00 0.00 C +ATOM 954 HB1 PRO 62 61.840 37.930 23.420 1.00 0.00 H +ATOM 955 HB2 PRO 62 62.168 38.870 21.932 1.00 0.00 H +ATOM 956 CG PRO 62 61.280 39.870 23.640 1.00 0.00 C +ATOM 957 HG1 PRO 62 62.080 39.990 24.400 1.00 0.00 H +ATOM 958 HG2 PRO 62 61.290 40.786 23.012 1.00 0.00 H +ATOM 959 C PRO 62 59.680 36.840 21.970 1.00 0.00 C +ATOM 960 O PRO 62 59.640 35.950 22.840 1.00 0.00 O +ATOM 961 N PRO 63 59.710 36.390 20.730 1.00 0.00 N +ATOM 962 CD PRO 63 59.930 37.210 19.560 1.00 0.00 C +ATOM 963 HD1 PRO 63 60.818 37.878 19.610 1.00 0.00 H +ATOM 964 HD2 PRO 63 58.998 37.772 19.340 1.00 0.00 H +ATOM 965 CA PRO 63 59.740 34.960 20.410 1.00 0.00 C +ATOM 966 HA PRO 63 59.020 34.460 21.040 1.00 0.00 H +ATOM 967 CB PRO 63 59.530 34.930 18.910 1.00 0.00 C +ATOM 968 HB1 PRO 63 60.042 34.116 18.356 1.00 0.00 H +ATOM 969 HB2 PRO 63 58.450 34.980 18.650 1.00 0.00 H +ATOM 970 CG PRO 63 60.130 36.210 18.410 1.00 0.00 C +ATOM 971 HG1 PRO 63 61.218 36.130 18.198 1.00 0.00 H +ATOM 972 HG2 PRO 63 59.582 36.480 17.482 1.00 0.00 H +ATOM 973 C PRO 63 61.050 34.270 20.680 1.00 0.00 C +ATOM 974 O PRO 63 62.100 34.840 20.780 1.00 0.00 O +ATOM 975 N CYS 64 60.870 32.940 21.010 1.00 0.00 N +ATOM 976 HN CYS 64 59.966 32.538 20.890 1.00 0.00 H +ATOM 977 CA CYS 64 62.030 32.040 21.360 1.00 0.00 C +ATOM 978 HA CYS 64 62.750 32.680 21.850 1.00 0.00 H +ATOM 979 CB CYS 64 61.630 30.850 22.260 1.00 0.00 C +ATOM 980 HB1 CYS 64 61.070 30.080 21.690 1.00 0.00 H +ATOM 981 HB2 CYS 64 62.506 30.388 22.764 1.00 0.00 H +ATOM 982 SG CYS 64 60.650 31.370 23.730 1.00 0.00 S +ATOM 983 C CYS 64 62.760 31.440 20.130 1.00 0.00 C +ATOM 984 O CYS 64 62.190 30.900 19.170 1.00 0.00 O +ATOM 985 N CYS 65 64.140 31.420 20.170 1.00 0.00 N +ATOM 986 HN CYS 65 64.648 31.918 20.868 1.00 0.00 H +ATOM 987 CA CYS 65 64.980 30.830 19.150 1.00 0.00 C +ATOM 988 HA CYS 65 64.690 31.292 18.218 1.00 0.00 H +ATOM 989 CB CYS 65 66.460 31.050 19.392 1.00 0.00 C +ATOM 990 HB1 CYS 65 66.826 30.238 20.054 1.00 0.00 H +ATOM 991 HB2 CYS 65 66.984 30.798 18.444 1.00 0.00 H +ATOM 992 SG CYS 65 66.900 32.650 20.000 1.00 0.00 S +ATOM 993 C CYS 65 64.820 29.290 19.070 1.00 0.00 C +ATOM 994 O CYS 65 65.080 28.650 18.080 1.00 0.00 O +ATOM 995 N SER 66 64.390 28.720 20.270 1.00 0.00 N +ATOM 996 HN SER 66 64.380 29.312 21.072 1.00 0.00 H +ATOM 997 CA SER 66 63.930 27.350 20.430 1.00 0.00 C +ATOM 998 HA SER 66 64.622 26.738 19.868 1.00 0.00 H +ATOM 999 CB SER 66 64.120 26.970 21.970 1.00 0.00 C +ATOM 1000 HB1 SER 66 63.500 26.110 22.300 1.00 0.00 H +ATOM 1001 HB2 SER 66 65.170 26.620 22.060 1.00 0.00 H +ATOM 1002 OG SER 66 63.830 28.070 22.840 1.00 0.00 O +ATOM 1003 HG1 SER 66 64.350 27.960 23.640 1.00 0.00 H +ATOM 1004 C SER 66 62.470 26.910 20.080 1.00 0.00 C +ATOM 1005 O SER 66 62.000 25.770 20.320 1.00 0.00 O +ATOM 1006 N GLY 67 61.690 27.780 19.380 1.00 0.00 N +ATOM 1007 HN GLY 67 61.882 28.756 19.440 1.00 0.00 H +ATOM 1008 CA GLY 67 60.380 27.580 18.730 1.00 0.00 C +ATOM 1009 HA1 GLY 67 59.646 27.302 19.474 1.00 0.00 H +ATOM 1010 HA2 GLY 67 59.998 28.462 18.238 1.00 0.00 H +ATOM 1011 C GLY 67 60.340 26.450 17.640 1.00 0.00 C +ATOM 1012 O GLY 67 61.310 26.190 16.900 1.00 0.00 O +ATOM 1013 N SER 68 59.180 25.740 17.560 1.00 0.00 N +ATOM 1014 HN SER 68 58.552 25.840 18.328 1.00 0.00 H +ATOM 1015 CA SER 68 58.940 24.650 16.680 1.00 0.00 C +ATOM 1016 HA SER 68 59.622 23.818 16.770 1.00 0.00 H +ATOM 1017 CB SER 68 57.500 24.060 16.890 1.00 0.00 C +ATOM 1018 HB1 SER 68 56.692 24.788 16.660 1.00 0.00 H +ATOM 1019 HB2 SER 68 57.380 23.132 16.292 1.00 0.00 H +ATOM 1020 OG SER 68 57.310 23.660 18.210 1.00 0.00 O +ATOM 1021 HG1 SER 68 57.080 24.482 18.650 1.00 0.00 H +ATOM 1022 C SER 68 58.960 25.000 15.210 1.00 0.00 C +ATOM 1023 O SER 68 59.220 24.110 14.420 1.00 0.00 O +ATOM 1024 N SER 69 58.730 26.300 14.930 1.00 0.00 N +ATOM 1025 HN SER 69 58.480 26.920 15.670 1.00 0.00 H +ATOM 1026 CA SER 69 58.930 26.810 13.530 1.00 0.00 C +ATOM 1027 HA SER 69 58.840 25.986 12.836 1.00 0.00 H +ATOM 1028 CB SER 69 57.860 27.910 13.210 1.00 0.00 C +ATOM 1029 HB1 SER 69 57.880 28.370 12.200 1.00 0.00 H +ATOM 1030 HB2 SER 69 56.810 27.550 13.180 1.00 0.00 H +ATOM 1031 OG SER 69 57.800 28.930 14.200 1.00 0.00 O +ATOM 1032 HG1 SER 69 57.368 28.558 14.972 1.00 0.00 H +ATOM 1033 C SER 69 60.320 27.380 13.270 1.00 0.00 C +ATOM 1034 O SER 69 60.580 28.110 12.270 1.00 0.00 O +ATOM 1035 N GLY 70 61.190 27.270 14.260 1.00 0.00 N +ATOM 1036 HN GLY 70 60.960 26.860 15.140 1.00 0.00 H +ATOM 1037 CA GLY 70 62.580 27.590 14.190 1.00 0.00 C +ATOM 1038 HA1 GLY 70 63.080 27.050 14.980 1.00 0.00 H +ATOM 1039 HA2 GLY 70 62.938 27.332 13.204 1.00 0.00 H +ATOM 1040 C GLY 70 62.850 28.990 14.350 1.00 0.00 C +ATOM 1041 O GLY 70 61.930 29.840 14.330 1.00 0.00 O +ATOM 1042 N SER 71 64.180 29.240 14.560 1.00 0.00 N +ATOM 1043 HN SER 71 64.790 28.450 14.560 1.00 0.00 H +ATOM 1044 CA SER 71 64.620 30.590 14.890 1.00 0.00 C +ATOM 1045 HA SER 71 64.098 30.870 15.792 1.00 0.00 H +ATOM 1046 CB SER 71 66.090 30.590 15.360 1.00 0.00 C +ATOM 1047 HB1 SER 71 66.140 29.830 16.170 1.00 0.00 H +ATOM 1048 HB2 SER 71 66.790 30.160 14.610 1.00 0.00 H +ATOM 1049 OG SER 71 66.550 31.830 15.940 1.00 0.00 O +ATOM 1050 HG1 SER 71 67.380 31.630 16.380 1.00 0.00 H +ATOM 1051 C SER 71 64.240 31.730 13.850 1.00 0.00 C +ATOM 1052 O SER 71 64.110 31.490 12.650 1.00 0.00 O +ATOM 1053 N SER 72 63.930 32.910 14.430 1.00 0.00 N +ATOM 1054 HN SER 72 64.100 32.920 15.412 1.00 0.00 H +ATOM 1055 CA SER 72 63.570 34.110 13.770 1.00 0.00 C +ATOM 1056 HA SER 72 63.912 34.100 12.746 1.00 0.00 H +ATOM 1057 CB SER 72 61.990 34.290 13.720 1.00 0.00 C +ATOM 1058 HB1 SER 72 61.600 33.530 13.010 1.00 0.00 H +ATOM 1059 HB2 SER 72 61.488 34.180 14.704 1.00 0.00 H +ATOM 1060 OG SER 72 61.550 35.520 13.160 1.00 0.00 O +ATOM 1061 HG1 SER 72 60.632 35.670 13.400 1.00 0.00 H +ATOM 1062 C SER 72 64.330 35.380 14.390 1.00 0.00 C +ATOM 1063 O SER 72 64.970 35.270 15.410 1.00 0.00 O +ATOM 1064 N ALA 73 64.340 36.490 13.680 1.00 0.00 N +ATOM 1065 HN ALA 73 63.766 36.490 12.866 1.00 0.00 H +ATOM 1066 CA ALA 73 65.110 37.700 14.020 1.00 0.00 C +ATOM 1067 HA ALA 73 66.096 37.388 14.332 1.00 0.00 H +ATOM 1068 CB ALA 73 65.230 38.630 12.830 1.00 0.00 C +ATOM 1069 HB1 ALA 73 65.510 38.060 11.920 1.00 0.00 H +ATOM 1070 HB2 ALA 73 64.262 39.138 12.630 1.00 0.00 H +ATOM 1071 HB3 ALA 73 66.060 39.370 12.860 1.00 0.00 H +ATOM 1072 C ALA 73 64.530 38.380 15.240 1.00 0.00 C +ATOM 1073 O ALA 73 63.340 38.610 15.300 1.00 0.00 O +ATOM 1074 N GLY 74 65.410 38.640 16.220 1.00 0.00 N +ATOM 1075 HN GLY 74 66.356 38.332 16.270 1.00 0.00 H +ATOM 1076 CA GLY 74 64.850 39.250 17.490 1.00 0.00 C +ATOM 1077 HA1 GLY 74 65.670 39.840 17.870 1.00 0.00 H +ATOM 1078 HA2 GLY 74 63.932 39.798 17.340 1.00 0.00 H +ATOM 1079 C GLY 74 64.500 38.260 18.610 1.00 0.00 C +ATOM 1080 O GLY 74 63.910 38.670 19.570 1.00 0.00 O +ATOM 1081 N CYS 75 64.910 36.960 18.400 1.00 0.00 N +ATOM 1082 HN CYS 75 65.272 36.618 17.536 1.00 0.00 H +ATOM 1083 CA CYS 75 64.620 35.840 19.240 1.00 0.00 C +ATOM 1084 HA CYS 75 63.568 35.980 19.440 1.00 0.00 H +ATOM 1085 CB CYS 75 64.750 34.450 18.600 1.00 0.00 C +ATOM 1086 HB1 CYS 75 64.180 33.658 19.130 1.00 0.00 H +ATOM 1087 HB2 CYS 75 64.280 34.540 17.598 1.00 0.00 H +ATOM 1088 SG CYS 75 66.490 33.860 18.470 1.00 0.00 S +ATOM 1089 C CYS 75 65.490 35.910 20.560 1.00 0.00 C +ATOM 1090 O CYS 75 66.640 36.220 20.600 1.00 0.00 O +ATOM 1091 N SER 76 64.760 35.720 21.700 1.00 0.00 N +ATOM 1092 HN SER 76 63.818 35.440 21.540 1.00 0.00 H +ATOM 1093 CA SER 76 65.290 35.660 23.030 1.00 0.00 C +ATOM 1094 HA SER 76 66.000 36.470 23.090 1.00 0.00 H +ATOM 1095 CB SER 76 64.340 36.180 24.110 1.00 0.00 C +ATOM 1096 HB1 SER 76 63.980 37.202 23.870 1.00 0.00 H +ATOM 1097 HB2 SER 76 63.466 35.506 24.230 1.00 0.00 H +ATOM 1098 OG SER 76 64.960 36.220 25.360 1.00 0.00 O +ATOM 1099 HG1 SER 76 65.550 36.972 25.450 1.00 0.00 H +ATOM 1100 C SER 76 65.850 34.350 23.400 1.00 0.00 C +ATOM 1101 O SER 76 65.140 33.360 23.220 1.00 0.00 O +ATOM 1102 N ARG 77 67.100 34.320 23.900 1.00 0.00 N +ATOM 1103 HN ARG 77 67.570 35.150 24.190 1.00 0.00 H +ATOM 1104 CA ARG 77 67.710 33.100 24.450 1.00 0.00 C +ATOM 1105 HA ARG 77 67.520 32.260 23.800 1.00 0.00 H +ATOM 1106 CB ARG 77 69.270 33.390 24.370 1.00 0.00 C +ATOM 1107 HB1 ARG 77 69.782 33.862 23.506 1.00 0.00 H +ATOM 1108 HB2 ARG 77 69.550 34.120 25.160 1.00 0.00 H +ATOM 1109 CG ARG 77 70.120 32.110 24.680 1.00 0.00 C +ATOM 1110 HG1 ARG 77 69.578 31.286 25.192 1.00 0.00 H +ATOM 1111 HG2 ARG 77 70.280 31.772 23.634 1.00 0.00 H +ATOM 1112 CD ARG 77 71.490 32.400 25.390 1.00 0.00 C +ATOM 1113 HD1 ARG 77 71.950 33.242 24.830 1.00 0.00 H +ATOM 1114 HD2 ARG 77 71.420 32.690 26.460 1.00 0.00 H +ATOM 1115 NE ARG 77 72.340 31.200 25.310 1.00 0.00 N +ATOM 1116 HE ARG 77 71.982 30.292 25.530 1.00 0.00 H +ATOM 1117 CZ ARG 77 73.560 31.170 24.810 1.00 0.00 C +ATOM 1118 NH1 ARG 77 74.380 32.160 24.830 1.00 0.00 N +ATOM 1119 1HH1 ARG 77 74.102 33.086 25.088 1.00 0.00 H +ATOM 1120 2HH1 ARG 77 75.152 32.100 24.198 1.00 0.00 H +ATOM 1121 NH2 ARG 77 74.030 29.970 24.360 1.00 0.00 N +ATOM 1122 1HH2 ARG 77 73.422 29.182 24.270 1.00 0.00 H +ATOM 1123 2HH2 ARG 77 75.008 29.840 24.190 1.00 0.00 H +ATOM 1124 C ARG 77 67.140 32.830 25.860 1.00 0.00 C +ATOM 1125 O ARG 77 67.310 31.720 26.330 1.00 0.00 O +ATOM 1126 N ASP 78 66.480 33.810 26.590 1.00 0.00 N +ATOM 1127 HN ASP 78 66.320 34.730 26.240 1.00 0.00 H +ATOM 1128 CA ASP 78 66.070 33.660 28.000 1.00 0.00 C +ATOM 1129 HA ASP 78 66.938 33.520 28.628 1.00 0.00 H +ATOM 1130 CB ASP 78 65.490 34.970 28.500 1.00 0.00 C +ATOM 1131 HB1 ASP 78 64.672 35.190 27.782 1.00 0.00 H +ATOM 1132 HB2 ASP 78 65.190 34.850 29.562 1.00 0.00 H +ATOM 1133 CG ASP 78 66.500 36.080 28.500 1.00 0.00 C +ATOM 1134 OD1 ASP 78 67.700 35.930 28.250 1.00 0.00 O +ATOM 1135 OD2 ASP 78 66.150 37.230 28.840 1.00 0.00 O +ATOM 1136 C ASP 78 65.140 32.510 28.220 1.00 0.00 C +ATOM 1137 O ASP 78 65.230 31.940 29.270 1.00 0.00 O +ATOM 1138 N CYS 79 64.260 32.170 27.220 1.00 0.00 N +ATOM 1139 HN CYS 79 64.370 32.656 26.356 1.00 0.00 H +ATOM 1140 CA CYS 79 63.440 30.920 27.180 1.00 0.00 C +ATOM 1141 HA CYS 79 62.574 30.920 27.824 1.00 0.00 H +ATOM 1142 CB CYS 79 62.910 30.710 25.740 1.00 0.00 C +ATOM 1143 HB1 CYS 79 63.760 30.410 25.090 1.00 0.00 H +ATOM 1144 HB2 CYS 79 62.342 29.754 25.750 1.00 0.00 H +ATOM 1145 SG CYS 79 62.030 32.130 25.010 1.00 0.00 S +ATOM 1146 C CYS 79 64.240 29.690 27.610 1.00 0.00 C +ATOM 1147 O CYS 79 63.670 28.880 28.330 1.00 0.00 O +ATOM 1148 N ASP 80 65.460 29.410 27.080 1.00 0.00 N +ATOM 1149 HN ASP 80 65.970 30.082 26.548 1.00 0.00 H +ATOM 1150 CA ASP 80 66.310 28.220 27.360 1.00 0.00 C +ATOM 1151 HA ASP 80 65.646 27.386 27.530 1.00 0.00 H +ATOM 1152 CB ASP 80 67.300 28.010 26.200 1.00 0.00 C +ATOM 1153 HB1 ASP 80 68.050 28.830 26.150 1.00 0.00 H +ATOM 1154 HB2 ASP 80 67.830 27.040 26.300 1.00 0.00 H +ATOM 1155 CG ASP 80 66.480 28.040 24.940 1.00 0.00 C +ATOM 1156 OD1 ASP 80 65.320 27.570 24.880 1.00 0.00 O +ATOM 1157 OD2 ASP 80 67.070 28.460 23.940 1.00 0.00 O +ATOM 1158 C ASP 80 67.140 28.380 28.640 1.00 0.00 C +ATOM 1159 O ASP 80 67.800 27.380 28.970 1.00 0.00 O +ATOM 1160 N GLU 81 67.230 29.560 29.220 1.00 0.00 N +ATOM 1161 HN GLU 81 66.566 30.266 28.988 1.00 0.00 H +ATOM 1162 CA GLU 81 68.180 29.830 30.260 1.00 0.00 C +ATOM 1163 HA GLU 81 68.968 29.092 30.250 1.00 0.00 H +ATOM 1164 CB GLU 81 68.760 31.190 30.090 1.00 0.00 C +ATOM 1165 HB1 GLU 81 67.932 31.930 30.050 1.00 0.00 H +ATOM 1166 HB2 GLU 81 69.352 31.512 30.974 1.00 0.00 H +ATOM 1167 CG GLU 81 69.700 31.420 28.830 1.00 0.00 C +ATOM 1168 HG1 GLU 81 69.200 31.100 27.890 1.00 0.00 H +ATOM 1169 HG2 GLU 81 70.142 32.436 28.770 1.00 0.00 H +ATOM 1170 CD GLU 81 70.940 30.450 28.890 1.00 0.00 C +ATOM 1171 OE1 GLU 81 71.730 30.590 29.850 1.00 0.00 O +ATOM 1172 OE2 GLU 81 71.060 29.560 28.060 1.00 0.00 O +ATOM 1173 C GLU 81 67.420 29.570 31.590 1.00 0.00 C +ATOM 1174 O GLU 81 66.180 29.590 31.520 1.00 0.00 O +ATOM 1175 N PRO 82 68.020 29.210 32.680 1.00 0.00 N +ATOM 1176 CD PRO 82 69.410 28.640 32.740 1.00 0.00 C +ATOM 1177 HD1 PRO 82 70.140 29.420 32.430 1.00 0.00 H +ATOM 1178 HD2 PRO 82 69.560 27.750 32.090 1.00 0.00 H +ATOM 1179 CA PRO 82 67.420 28.960 33.980 1.00 0.00 C +ATOM 1180 HA PRO 82 67.062 27.964 33.762 1.00 0.00 H +ATOM 1181 CB PRO 82 68.580 29.030 34.880 1.00 0.00 C +ATOM 1182 HB1 PRO 82 68.860 30.098 35.010 1.00 0.00 H +ATOM 1183 HB2 PRO 82 68.410 28.520 35.852 1.00 0.00 H +ATOM 1184 CG PRO 82 69.770 28.410 34.220 1.00 0.00 C +ATOM 1185 HG1 PRO 82 70.732 28.900 34.480 1.00 0.00 H +ATOM 1186 HG2 PRO 82 69.910 27.312 34.330 1.00 0.00 H +ATOM 1187 C PRO 82 66.260 29.760 34.450 1.00 0.00 C +ATOM 1188 O PRO 82 66.270 30.970 34.240 1.00 0.00 O +ATOM 1189 N LEU 83 65.230 29.170 35.160 1.00 0.00 N +ATOM 1190 HN LEU 83 65.250 28.184 35.310 1.00 0.00 H +ATOM 1191 CA LEU 83 63.890 29.670 35.470 1.00 0.00 C +ATOM 1192 HA LEU 83 63.640 30.432 34.748 1.00 0.00 H +ATOM 1193 CB LEU 83 62.850 28.530 35.490 1.00 0.00 C +ATOM 1194 HB1 LEU 83 63.120 27.748 36.232 1.00 0.00 H +ATOM 1195 HB2 LEU 83 61.880 28.960 35.820 1.00 0.00 H +ATOM 1196 CG LEU 83 62.600 27.930 34.090 1.00 0.00 C +ATOM 1197 HG LEU 83 63.550 27.430 33.800 1.00 0.00 H +ATOM 1198 CD1 LEU 83 61.560 26.820 34.130 1.00 0.00 C +ATOM 1199 1HD1 LEU 83 60.582 27.208 34.490 1.00 0.00 H +ATOM 1200 2HD1 LEU 83 61.440 26.450 33.090 1.00 0.00 H +ATOM 1201 3HD1 LEU 83 61.902 25.974 34.764 1.00 0.00 H +ATOM 1202 CD2 LEU 83 62.290 29.000 32.970 1.00 0.00 C +ATOM 1203 1HD2 LEU 83 62.180 28.498 31.986 1.00 0.00 H +ATOM 1204 2HD2 LEU 83 61.402 29.628 33.200 1.00 0.00 H +ATOM 1205 3HD2 LEU 83 63.224 29.602 32.960 1.00 0.00 H +ATOM 1206 C LEU 83 63.920 30.120 36.920 1.00 0.00 C +ATOM 1207 O LEU 83 63.030 30.850 37.430 1.00 0.00 O +ATOM 1208 N THR 84 65.000 29.770 37.610 1.00 0.00 N +ATOM 1209 HN THR 84 65.724 29.248 37.168 1.00 0.00 H +ATOM 1210 CA THR 84 65.250 29.980 39.040 1.00 0.00 C +ATOM 1211 HA THR 84 64.438 29.438 39.502 1.00 0.00 H +ATOM 1212 CB THR 84 66.570 29.390 39.450 1.00 0.00 C +ATOM 1213 HB THR 84 67.380 30.130 39.270 1.00 0.00 H +ATOM 1214 OG1 THR 84 66.830 28.210 38.650 1.00 0.00 O +ATOM 1215 HG1 THR 84 67.786 28.270 38.580 1.00 0.00 H +ATOM 1216 CG2 THR 84 66.690 28.900 40.940 1.00 0.00 C +ATOM 1217 1HG2 THR 84 67.642 28.358 41.120 1.00 0.00 H +ATOM 1218 2HG2 THR 84 66.540 29.702 41.692 1.00 0.00 H +ATOM 1219 3HG2 THR 84 65.902 28.162 41.208 1.00 0.00 H +ATOM 1220 C THR 84 64.970 31.360 39.520 1.00 0.00 C +ATOM 1221 O THR 84 64.380 31.670 40.520 1.00 0.00 O +ATOM 1222 N SER 85 65.570 32.320 38.830 1.00 0.00 N +ATOM 1223 HN SER 85 66.202 32.080 38.098 1.00 0.00 H +ATOM 1224 CA SER 85 65.420 33.740 39.320 1.00 0.00 C +ATOM 1225 HA SER 85 65.608 33.730 40.384 1.00 0.00 H +ATOM 1226 CB SER 85 66.600 34.620 38.790 1.00 0.00 C +ATOM 1227 HB1 SER 85 66.420 35.664 39.122 1.00 0.00 H +ATOM 1228 HB2 SER 85 67.496 34.188 39.284 1.00 0.00 H +ATOM 1229 OG SER 85 66.670 34.590 37.380 1.00 0.00 O +ATOM 1230 HG1 SER 85 66.710 33.674 37.098 1.00 0.00 H +ATOM 1231 C SER 85 64.110 34.360 39.020 1.00 0.00 C +ATOM 1232 O SER 85 63.620 35.340 39.670 1.00 0.00 O +ATOM 1233 N LEU 86 63.340 33.730 38.140 1.00 0.00 N +ATOM 1234 HN LEU 86 63.670 32.910 37.680 1.00 0.00 H +ATOM 1235 CA LEU 86 62.100 34.250 37.550 1.00 0.00 C +ATOM 1236 HA LEU 86 62.382 35.244 37.238 1.00 0.00 H +ATOM 1237 CB LEU 86 61.740 33.600 36.210 1.00 0.00 C +ATOM 1238 HB1 LEU 86 61.292 32.592 36.350 1.00 0.00 H +ATOM 1239 HB2 LEU 86 61.098 34.312 35.648 1.00 0.00 H +ATOM 1240 CG LEU 86 62.880 33.460 35.210 1.00 0.00 C +ATOM 1241 HG LEU 86 63.592 32.678 35.550 1.00 0.00 H +ATOM 1242 CD1 LEU 86 62.260 32.800 33.980 1.00 0.00 C +ATOM 1243 1HD1 LEU 86 63.018 32.720 33.172 1.00 0.00 H +ATOM 1244 2HD1 LEU 86 61.820 31.808 34.220 1.00 0.00 H +ATOM 1245 3HD1 LEU 86 61.390 33.340 33.550 1.00 0.00 H +ATOM 1246 CD2 LEU 86 63.590 34.780 34.870 1.00 0.00 C +ATOM 1247 1HD2 LEU 86 62.880 35.550 34.500 1.00 0.00 H +ATOM 1248 2HD2 LEU 86 63.996 35.266 35.784 1.00 0.00 H +ATOM 1249 3HD2 LEU 86 64.380 34.650 34.100 1.00 0.00 H +ATOM 1250 C LEU 86 60.960 34.270 38.530 1.00 0.00 C +ATOM 1251 O LEU 86 60.760 33.470 39.430 1.00 0.00 O +ATOM 1252 N THR 87 60.110 35.230 38.290 1.00 0.00 N +ATOM 1253 HN THR 87 60.360 35.912 37.608 1.00 0.00 H +ATOM 1254 CA THR 87 58.910 35.460 39.060 1.00 0.00 C +ATOM 1255 HA THR 87 59.110 35.038 40.034 1.00 0.00 H +ATOM 1256 CB THR 87 58.420 36.960 39.160 1.00 0.00 C +ATOM 1257 HB THR 87 58.290 37.258 38.096 1.00 0.00 H +ATOM 1258 OG1 THR 87 59.340 37.890 39.580 1.00 0.00 O +ATOM 1259 HG1 THR 87 60.196 37.478 39.450 1.00 0.00 H +ATOM 1260 CG2 THR 87 57.010 37.210 39.870 1.00 0.00 C +ATOM 1261 1HG2 THR 87 56.240 36.570 39.390 1.00 0.00 H +ATOM 1262 2HG2 THR 87 57.110 36.932 40.942 1.00 0.00 H +ATOM 1263 3HG2 THR 87 56.760 38.288 39.780 1.00 0.00 H +ATOM 1264 C THR 87 57.760 34.670 38.340 1.00 0.00 C +ATOM 1265 O THR 87 57.730 34.650 37.120 1.00 0.00 O +ATOM 1266 N PRO 88 56.710 34.070 38.860 1.00 0.00 N +ATOM 1267 CD PRO 88 56.710 33.720 40.290 1.00 0.00 C +ATOM 1268 HD1 PRO 88 56.660 34.602 40.962 1.00 0.00 H +ATOM 1269 HD2 PRO 88 57.600 33.100 40.530 1.00 0.00 H +ATOM 1270 CA PRO 88 55.840 33.260 38.040 1.00 0.00 C +ATOM 1271 HA PRO 88 56.320 32.780 37.200 1.00 0.00 H +ATOM 1272 CB PRO 88 55.370 32.160 38.990 1.00 0.00 C +ATOM 1273 HB1 PRO 88 54.360 31.750 38.780 1.00 0.00 H +ATOM 1274 HB2 PRO 88 56.002 31.246 38.990 1.00 0.00 H +ATOM 1275 CG PRO 88 55.480 32.860 40.350 1.00 0.00 C +ATOM 1276 HG1 PRO 88 54.636 33.572 40.470 1.00 0.00 H +ATOM 1277 HG2 PRO 88 55.480 32.220 41.258 1.00 0.00 H +ATOM 1278 C PRO 88 54.610 34.030 37.510 1.00 0.00 C +ATOM 1279 O PRO 88 53.710 34.410 38.240 1.00 0.00 O +ATOM 1280 N ARG 89 54.660 34.490 36.250 1.00 0.00 N +ATOM 1281 HN ARG 89 55.490 34.280 35.740 1.00 0.00 H +ATOM 1282 CA ARG 89 53.730 35.370 35.590 1.00 0.00 C +ATOM 1283 HA ARG 89 52.698 35.180 35.840 1.00 0.00 H +ATOM 1284 CB ARG 89 53.930 36.850 36.080 1.00 0.00 C +ATOM 1285 HB1 ARG 89 53.156 37.492 35.608 1.00 0.00 H +ATOM 1286 HB2 ARG 89 53.760 36.900 37.176 1.00 0.00 H +ATOM 1287 CG ARG 89 55.350 37.370 35.920 1.00 0.00 C +ATOM 1288 HG1 ARG 89 56.070 36.720 36.460 1.00 0.00 H +ATOM 1289 HG2 ARG 89 55.662 37.350 34.854 1.00 0.00 H +ATOM 1290 CD ARG 89 55.620 38.790 36.460 1.00 0.00 C +ATOM 1291 HD1 ARG 89 54.926 39.554 36.048 1.00 0.00 H +ATOM 1292 HD2 ARG 89 55.390 38.740 37.546 1.00 0.00 H +ATOM 1293 NE ARG 89 57.020 39.110 36.070 1.00 0.00 N +ATOM 1294 HE ARG 89 57.468 38.722 35.264 1.00 0.00 H +ATOM 1295 CZ ARG 89 57.670 40.150 36.540 1.00 0.00 C +ATOM 1296 NH1 ARG 89 57.280 40.850 37.580 1.00 0.00 N +ATOM 1297 1HH1 ARG 89 56.322 40.710 37.830 1.00 0.00 H +ATOM 1298 2HH1 ARG 89 57.620 41.778 37.740 1.00 0.00 H +ATOM 1299 NH2 ARG 89 58.830 40.510 35.960 1.00 0.00 N +ATOM 1300 1HH2 ARG 89 59.158 40.032 35.144 1.00 0.00 H +ATOM 1301 2HH2 ARG 89 59.412 41.222 36.352 1.00 0.00 H +ATOM 1302 C ARG 89 53.820 35.330 34.110 1.00 0.00 C +ATOM 1303 O ARG 89 54.680 34.680 33.520 1.00 0.00 O +ATOM 1304 N CYS 90 52.950 36.070 33.380 1.00 0.00 N +ATOM 1305 HN CYS 90 52.460 36.860 33.740 1.00 0.00 H +ATOM 1306 CA CYS 90 52.650 35.690 32.010 1.00 0.00 C +ATOM 1307 HA CYS 90 53.052 34.698 31.870 1.00 0.00 H +ATOM 1308 CB CYS 90 51.160 35.550 31.990 1.00 0.00 C +ATOM 1309 HB1 CYS 90 50.642 36.486 32.288 1.00 0.00 H +ATOM 1310 HB2 CYS 90 50.760 35.380 30.968 1.00 0.00 H +ATOM 1311 SG CYS 90 50.520 34.120 32.850 1.00 0.00 S +ATOM 1312 C CYS 90 53.170 36.580 30.920 1.00 0.00 C +ATOM 1313 O CYS 90 52.970 36.280 29.710 1.00 0.00 O +ATOM 1314 N ASN 91 53.920 37.620 31.230 1.00 0.00 N +ATOM 1315 HN ASN 91 54.220 37.680 32.180 1.00 0.00 H +ATOM 1316 CA ASN 91 54.510 38.610 30.460 1.00 0.00 C +ATOM 1317 HA ASN 91 53.718 39.042 29.868 1.00 0.00 H +ATOM 1318 CB ASN 91 55.030 39.650 31.370 1.00 0.00 C +ATOM 1319 HB1 ASN 91 55.310 40.580 30.830 1.00 0.00 H +ATOM 1320 HB2 ASN 91 54.270 39.980 32.110 1.00 0.00 H +ATOM 1321 CG ASN 91 56.270 39.120 32.190 1.00 0.00 C +ATOM 1322 OD1 ASN 91 56.410 37.990 32.690 1.00 0.00 O +ATOM 1323 ND2 ASN 91 57.280 40.040 32.200 1.00 0.00 N +ATOM 1324 1HD2 ASN 91 57.240 40.880 31.660 1.00 0.00 H +ATOM 1325 2HD2 ASN 91 58.028 39.940 32.858 1.00 0.00 H +ATOM 1326 C ASN 91 55.590 38.240 29.460 1.00 0.00 C +ATOM 1327 O ASN 91 55.710 39.010 28.470 1.00 0.00 O +ATOM 1328 N THR 92 56.270 37.060 29.700 1.00 0.00 N +ATOM 1329 HN THR 92 56.280 36.680 30.622 1.00 0.00 H +ATOM 1330 CA THR 92 57.190 36.510 28.740 1.00 0.00 C +ATOM 1331 HA THR 92 56.890 36.920 27.788 1.00 0.00 H +ATOM 1332 CB THR 92 58.630 36.800 29.060 1.00 0.00 C +ATOM 1333 HB THR 92 59.276 36.542 28.194 1.00 0.00 H +ATOM 1334 OG1 THR 92 59.010 36.020 30.180 1.00 0.00 O +ATOM 1335 HG1 THR 92 59.318 36.556 30.914 1.00 0.00 H +ATOM 1336 CG2 THR 92 58.940 38.230 29.370 1.00 0.00 C +ATOM 1337 1HG2 THR 92 60.010 38.370 29.630 1.00 0.00 H +ATOM 1338 2HG2 THR 92 58.680 38.892 28.518 1.00 0.00 H +ATOM 1339 3HG2 THR 92 58.352 38.680 30.198 1.00 0.00 H +ATOM 1340 C THR 92 57.010 34.980 28.530 1.00 0.00 C +ATOM 1341 O THR 92 56.290 34.370 29.320 1.00 0.00 O +ATOM 1342 N ALA 93 57.600 34.360 27.470 1.00 0.00 N +ATOM 1343 HN ALA 93 58.072 34.832 26.728 1.00 0.00 H +ATOM 1344 CA ALA 93 57.620 32.910 27.380 1.00 0.00 C +ATOM 1345 HA ALA 93 56.586 32.598 27.390 1.00 0.00 H +ATOM 1346 CB ALA 93 58.220 32.510 26.080 1.00 0.00 C +ATOM 1347 HB1 ALA 93 57.850 31.468 25.980 1.00 0.00 H +ATOM 1348 HB2 ALA 93 57.740 33.128 25.292 1.00 0.00 H +ATOM 1349 HB3 ALA 93 59.322 32.650 26.050 1.00 0.00 H +ATOM 1350 C ALA 93 58.360 32.220 28.550 1.00 0.00 C +ATOM 1351 O ALA 93 57.920 31.240 29.120 1.00 0.00 O +ATOM 1352 N TRP 94 59.530 32.790 29.000 1.00 0.00 N +ATOM 1353 HN TRP 94 59.858 33.606 28.532 1.00 0.00 H +ATOM 1354 CA TRP 94 60.300 32.350 30.150 1.00 0.00 C +ATOM 1355 HA TRP 94 60.570 31.310 30.050 1.00 0.00 H +ATOM 1356 CB TRP 94 61.700 32.990 30.370 1.00 0.00 C +ATOM 1357 HB1 TRP 94 62.210 32.590 31.272 1.00 0.00 H +ATOM 1358 HB2 TRP 94 62.348 32.482 29.622 1.00 0.00 H +ATOM 1359 CG TRP 94 61.940 34.470 30.170 1.00 0.00 C +ATOM 1360 CD1 TRP 94 62.240 35.380 31.140 1.00 0.00 C +ATOM 1361 HD1 TRP 94 62.400 35.100 32.170 1.00 0.00 H +ATOM 1362 NE1 TRP 94 62.370 36.610 30.580 1.00 0.00 N +ATOM 1363 HE1 TRP 94 62.310 37.470 31.040 1.00 0.00 H +ATOM 1364 CE2 TRP 94 62.270 36.500 29.270 1.00 0.00 C +ATOM 1365 CD2 TRP 94 61.860 35.180 28.940 1.00 0.00 C +ATOM 1366 CE3 TRP 94 61.630 34.840 27.560 1.00 0.00 C +ATOM 1367 HE3 TRP 94 61.280 33.870 27.240 1.00 0.00 H +ATOM 1368 CZ3 TRP 94 61.660 35.800 26.640 1.00 0.00 C +ATOM 1369 HZ3 TRP 94 61.090 35.570 25.752 1.00 0.00 H +ATOM 1370 CZ2 TRP 94 62.330 37.420 28.270 1.00 0.00 C +ATOM 1371 HZ2 TRP 94 62.520 38.444 28.552 1.00 0.00 H +ATOM 1372 CH2 TRP 94 62.050 37.140 26.940 1.00 0.00 C +ATOM 1373 HH2 TRP 94 62.170 37.932 26.218 1.00 0.00 H +ATOM 1374 C TRP 94 59.630 32.320 31.440 1.00 0.00 C +ATOM 1375 O TRP 94 59.670 31.260 32.120 1.00 0.00 O +ATOM 1376 N ASN 95 58.980 33.460 31.850 1.00 0.00 N +ATOM 1377 HN ASN 95 58.980 34.298 31.310 1.00 0.00 H +ATOM 1378 CA ASN 95 58.100 33.560 33.050 1.00 0.00 C +ATOM 1379 HA ASN 95 58.772 33.360 33.872 1.00 0.00 H +ATOM 1380 CB ASN 95 57.610 35.020 33.300 1.00 0.00 C +ATOM 1381 HB1 ASN 95 57.030 35.420 32.440 1.00 0.00 H +ATOM 1382 HB2 ASN 95 56.898 35.050 34.152 1.00 0.00 H +ATOM 1383 CG ASN 95 58.760 36.000 33.560 1.00 0.00 C +ATOM 1384 OD1 ASN 95 59.320 36.610 32.660 1.00 0.00 O +ATOM 1385 ND2 ASN 95 58.950 36.180 34.920 1.00 0.00 N +ATOM 1386 1HD2 ASN 95 58.492 35.572 35.568 1.00 0.00 H +ATOM 1387 2HD2 ASN 95 59.802 36.560 35.280 1.00 0.00 H +ATOM 1388 C ASN 95 56.910 32.600 33.120 1.00 0.00 C +ATOM 1389 O ASN 95 56.590 32.130 34.220 1.00 0.00 O +ATOM 1390 N ARG 96 56.240 32.280 31.970 1.00 0.00 N +ATOM 1391 HN ARG 96 56.532 32.792 31.166 1.00 0.00 H +ATOM 1392 CA ARG 96 55.250 31.160 31.780 1.00 0.00 C +ATOM 1393 HA ARG 96 54.452 31.180 32.508 1.00 0.00 H +ATOM 1394 CB ARG 96 54.650 31.040 30.400 1.00 0.00 C +ATOM 1395 HB1 ARG 96 55.564 31.040 29.768 1.00 0.00 H +ATOM 1396 HB2 ARG 96 54.138 30.076 30.190 1.00 0.00 H +ATOM 1397 CG ARG 96 53.850 32.270 29.860 1.00 0.00 C +ATOM 1398 HG1 ARG 96 52.912 32.350 30.450 1.00 0.00 H +ATOM 1399 HG2 ARG 96 54.458 33.158 30.140 1.00 0.00 H +ATOM 1400 CD ARG 96 53.560 32.290 28.330 1.00 0.00 C +ATOM 1401 HD1 ARG 96 54.538 32.090 27.842 1.00 0.00 H +ATOM 1402 HD2 ARG 96 52.780 31.590 27.960 1.00 0.00 H +ATOM 1403 NE ARG 96 53.130 33.640 27.930 1.00 0.00 N +ATOM 1404 HE ARG 96 52.950 34.300 28.660 1.00 0.00 H +ATOM 1405 CZ ARG 96 53.620 34.320 26.880 1.00 0.00 C +ATOM 1406 NH1 ARG 96 53.950 33.750 25.720 1.00 0.00 N +ATOM 1407 1HH1 ARG 96 53.592 32.842 25.500 1.00 0.00 H +ATOM 1408 2HH1 ARG 96 54.330 34.378 25.042 1.00 0.00 H +ATOM 1409 NH2 ARG 96 53.780 35.600 27.010 1.00 0.00 N +ATOM 1410 1HH2 ARG 96 53.690 35.972 27.934 1.00 0.00 H +ATOM 1411 2HH2 ARG 96 54.402 36.050 26.368 1.00 0.00 H +ATOM 1412 C ARG 96 55.910 29.820 31.960 1.00 0.00 C +ATOM 1413 O ARG 96 55.340 28.930 32.610 1.00 0.00 O +ATOM 1414 N LEU 97 57.190 29.560 31.530 1.00 0.00 N +ATOM 1415 HN LEU 97 57.650 30.140 30.860 1.00 0.00 H +ATOM 1416 CA LEU 97 57.950 28.320 31.840 1.00 0.00 C +ATOM 1417 HA LEU 97 57.344 27.456 31.612 1.00 0.00 H +ATOM 1418 CB LEU 97 59.310 28.290 31.090 1.00 0.00 C +ATOM 1419 HB1 LEU 97 59.950 29.198 31.100 1.00 0.00 H +ATOM 1420 HB2 LEU 97 59.908 27.472 31.548 1.00 0.00 H +ATOM 1421 CG LEU 97 59.080 28.060 29.600 1.00 0.00 C +ATOM 1422 HG LEU 97 58.226 28.672 29.238 1.00 0.00 H +ATOM 1423 CD1 LEU 97 60.220 28.590 28.720 1.00 0.00 C +ATOM 1424 1HD1 LEU 97 60.180 28.114 27.716 1.00 0.00 H +ATOM 1425 2HD1 LEU 97 59.940 29.654 28.570 1.00 0.00 H +ATOM 1426 3HD1 LEU 97 61.200 28.340 29.180 1.00 0.00 H +ATOM 1427 CD2 LEU 97 58.800 26.590 29.340 1.00 0.00 C +ATOM 1428 1HD2 LEU 97 59.348 25.992 30.098 1.00 0.00 H +ATOM 1429 2HD2 LEU 97 57.746 26.402 29.638 1.00 0.00 H +ATOM 1430 3HD2 LEU 97 58.970 26.360 28.268 1.00 0.00 H +ATOM 1431 C LEU 97 58.140 28.140 33.320 1.00 0.00 C +ATOM 1432 O LEU 97 58.000 27.100 33.900 1.00 0.00 O +ATOM 1433 N LYS 98 58.420 29.250 34.020 1.00 0.00 N +ATOM 1434 HN LYS 98 58.480 30.104 33.508 1.00 0.00 H +ATOM 1435 CA LYS 98 58.470 29.350 35.480 1.00 0.00 C +ATOM 1436 HA LYS 98 59.114 28.554 35.822 1.00 0.00 H +ATOM 1437 CB LYS 98 59.080 30.640 36.040 1.00 0.00 C +ATOM 1438 HB1 LYS 98 60.120 30.770 35.670 1.00 0.00 H +ATOM 1439 HB2 LYS 98 58.458 31.472 35.648 1.00 0.00 H +ATOM 1440 CG LYS 98 59.020 30.720 37.570 1.00 0.00 C +ATOM 1441 HG1 LYS 98 59.318 31.726 37.938 1.00 0.00 H +ATOM 1442 HG2 LYS 98 57.960 30.720 37.900 1.00 0.00 H +ATOM 1443 CD LYS 98 59.770 29.600 38.310 1.00 0.00 C +ATOM 1444 HD1 LYS 98 59.156 28.674 38.270 1.00 0.00 H +ATOM 1445 HD2 LYS 98 60.714 29.358 37.778 1.00 0.00 H +ATOM 1446 CE LYS 98 60.240 29.910 39.680 1.00 0.00 C +ATOM 1447 HE1 LYS 98 60.940 30.770 39.750 1.00 0.00 H +ATOM 1448 HE2 LYS 98 59.380 30.130 40.350 1.00 0.00 H +ATOM 1449 NZ LYS 98 60.880 28.770 40.280 1.00 0.00 N +ATOM 1450 HZ1 LYS 98 61.642 28.290 39.760 1.00 0.00 H +ATOM 1451 HZ2 LYS 98 61.338 29.138 41.138 1.00 0.00 H +ATOM 1452 HZ3 LYS 98 60.168 28.098 40.630 1.00 0.00 H +ATOM 1453 C LYS 98 57.090 29.160 36.040 1.00 0.00 C +ATOM 1454 O LYS 98 56.930 28.380 37.010 1.00 0.00 O +ATOM 1455 N LEU 99 55.930 29.650 35.520 1.00 0.00 N +ATOM 1456 HN LEU 99 56.090 30.278 34.762 1.00 0.00 H +ATOM 1457 CA LEU 99 54.580 29.480 36.060 1.00 0.00 C +ATOM 1458 HA LEU 99 54.600 29.770 37.100 1.00 0.00 H +ATOM 1459 CB LEU 99 53.590 30.410 35.320 1.00 0.00 C +ATOM 1460 HB1 LEU 99 54.000 31.408 35.590 1.00 0.00 H +ATOM 1461 HB2 LEU 99 53.620 30.210 34.228 1.00 0.00 H +ATOM 1462 CG LEU 99 52.090 30.290 35.830 1.00 0.00 C +ATOM 1463 HG LEU 99 51.700 29.302 35.500 1.00 0.00 H +ATOM 1464 CD1 LEU 99 51.890 30.370 37.350 1.00 0.00 C +ATOM 1465 1HD1 LEU 99 50.842 30.250 37.700 1.00 0.00 H +ATOM 1466 2HD1 LEU 99 52.512 29.626 37.892 1.00 0.00 H +ATOM 1467 3HD1 LEU 99 52.292 31.316 37.772 1.00 0.00 H +ATOM 1468 CD2 LEU 99 51.310 31.360 35.100 1.00 0.00 C +ATOM 1469 1HD2 LEU 99 50.262 31.500 35.440 1.00 0.00 H +ATOM 1470 2HD2 LEU 99 51.658 32.386 35.348 1.00 0.00 H +ATOM 1471 3HD2 LEU 99 51.300 31.250 33.994 1.00 0.00 H +ATOM 1472 C LEU 99 54.190 28.020 35.950 1.00 0.00 C +ATOM 1473 O LEU 99 53.610 27.480 36.870 1.00 0.00 O +ATOM 1474 N ASP 100 54.510 27.350 34.790 1.00 0.00 N +ATOM 1475 HN ASP 100 54.872 27.712 33.936 1.00 0.00 H +ATOM 1476 CA ASP 100 54.290 25.900 34.670 1.00 0.00 C +ATOM 1477 HA ASP 100 53.236 25.790 34.878 1.00 0.00 H +ATOM 1478 CB ASP 100 54.430 25.500 33.150 1.00 0.00 C +ATOM 1479 HB1 ASP 100 53.470 25.730 32.640 1.00 0.00 H +ATOM 1480 HB2 ASP 100 55.218 26.218 32.840 1.00 0.00 H +ATOM 1481 CG ASP 100 54.850 24.090 32.780 1.00 0.00 C +ATOM 1482 OD1 ASP 100 53.980 23.200 32.580 1.00 0.00 O +ATOM 1483 OD2 ASP 100 56.080 23.890 32.720 1.00 0.00 O +ATOM 1484 C ASP 100 55.090 25.150 35.750 1.00 0.00 C +ATOM 1485 O ASP 100 54.710 24.220 36.400 1.00 0.00 O +ATOM 1486 N GLN 101 56.290 25.610 35.980 1.00 0.00 N +ATOM 1487 HN GLN 101 56.622 26.304 35.346 1.00 0.00 H +ATOM 1488 CA GLN 101 57.160 24.940 36.950 1.00 0.00 C +ATOM 1489 HA GLN 101 57.180 23.882 36.730 1.00 0.00 H +ATOM 1490 CB GLN 101 58.620 25.430 36.970 1.00 0.00 C +ATOM 1491 HB1 GLN 101 59.072 25.480 35.956 1.00 0.00 H +ATOM 1492 HB2 GLN 101 58.660 26.462 37.380 1.00 0.00 H +ATOM 1493 CG GLN 101 59.660 24.590 37.730 1.00 0.00 C +ATOM 1494 HG1 GLN 101 59.118 24.260 38.642 1.00 0.00 H +ATOM 1495 HG2 GLN 101 59.870 23.610 37.250 1.00 0.00 H +ATOM 1496 CD GLN 101 60.890 25.380 38.080 1.00 0.00 C +ATOM 1497 OE1 GLN 101 60.760 26.450 38.570 1.00 0.00 O +ATOM 1498 NE2 GLN 101 62.060 24.870 37.750 1.00 0.00 N +ATOM 1499 1HE2 GLN 101 62.130 24.108 37.106 1.00 0.00 H +ATOM 1500 2HE2 GLN 101 62.854 25.412 38.022 1.00 0.00 H +ATOM 1501 C GLN 101 56.590 25.060 38.440 1.00 0.00 C +ATOM 1502 O GLN 101 56.640 24.160 39.210 1.00 0.00 O +ATOM 1503 N VAL 102 56.080 26.260 38.790 1.00 0.00 N +ATOM 1504 HN VAL 102 56.050 27.026 38.152 1.00 0.00 H +ATOM 1505 CA VAL 102 55.460 26.650 40.120 1.00 0.00 C +ATOM 1506 HA VAL 102 56.070 26.260 40.920 1.00 0.00 H +ATOM 1507 CB VAL 102 55.200 28.180 40.150 1.00 0.00 C +ATOM 1508 HB VAL 102 54.840 28.552 39.168 1.00 0.00 H +ATOM 1509 CG1 VAL 102 54.150 28.580 41.250 1.00 0.00 C +ATOM 1510 1HG1 VAL 102 54.150 29.672 41.450 1.00 0.00 H +ATOM 1511 2HG1 VAL 102 53.118 28.350 40.910 1.00 0.00 H +ATOM 1512 3HG1 VAL 102 54.190 27.930 42.150 1.00 0.00 H +ATOM 1513 CG2 VAL 102 56.610 28.730 40.480 1.00 0.00 C +ATOM 1514 1HG2 VAL 102 57.172 28.550 39.538 1.00 0.00 H +ATOM 1515 2HG2 VAL 102 56.570 29.830 40.630 1.00 0.00 H +ATOM 1516 3HG2 VAL 102 57.042 28.148 41.322 1.00 0.00 H +ATOM 1517 C VAL 102 54.130 25.940 40.330 1.00 0.00 C +ATOM 1518 O VAL 102 53.820 25.400 41.380 1.00 0.00 O +ATOM 1519 N THR 103 53.250 25.850 39.250 1.00 0.00 N +ATOM 1520 HN THR 103 53.450 26.310 38.388 1.00 0.00 H +ATOM 1521 CA THR 103 52.070 25.090 39.250 1.00 0.00 C +ATOM 1522 HA THR 103 51.510 25.340 40.140 1.00 0.00 H +ATOM 1523 CB THR 103 51.080 25.350 38.090 1.00 0.00 C +ATOM 1524 HB THR 103 50.274 24.586 38.090 1.00 0.00 H +ATOM 1525 OG1 THR 103 51.870 25.190 36.860 1.00 0.00 O +ATOM 1526 HG1 THR 103 52.142 26.024 36.468 1.00 0.00 H +ATOM 1527 CG2 THR 103 50.580 26.840 38.160 1.00 0.00 C +ATOM 1528 1HG2 THR 103 49.808 26.950 38.952 1.00 0.00 H +ATOM 1529 2HG2 THR 103 51.446 27.516 38.330 1.00 0.00 H +ATOM 1530 3HG2 THR 103 50.150 27.000 37.148 1.00 0.00 H +ATOM 1531 C THR 103 52.340 23.600 39.310 1.00 0.00 C +ATOM 1532 O THR 103 51.650 22.930 40.000 1.00 0.00 O +ATOM 1533 N HIS 104 53.330 23.050 38.560 1.00 0.00 N +ATOM 1534 HN HIS 104 53.952 23.520 37.938 1.00 0.00 H +ATOM 1535 CA HIS 104 53.510 21.630 38.610 1.00 0.00 C +ATOM 1536 HA HIS 104 52.526 21.192 38.690 1.00 0.00 H +ATOM 1537 CB HIS 104 53.950 21.110 37.220 1.00 0.00 C +ATOM 1538 HB1 HIS 104 54.668 21.868 36.840 1.00 0.00 H +ATOM 1539 HB2 HIS 104 54.458 20.122 37.260 1.00 0.00 H +ATOM 1540 ND1 HIS 104 52.370 19.850 35.850 1.00 0.00 N +ATOM 1541 CG HIS 104 52.840 21.040 36.170 1.00 0.00 C +ATOM 1542 CE1 HIS 104 51.600 20.030 34.810 1.00 0.00 C +ATOM 1543 HE1 HIS 104 50.932 19.312 34.334 1.00 0.00 H +ATOM 1544 NE2 HIS 104 51.570 21.300 34.400 1.00 0.00 N +ATOM 1545 HE2 HIS 104 51.310 21.680 33.512 1.00 0.00 H +ATOM 1546 CD2 HIS 104 52.530 21.940 35.230 1.00 0.00 C +ATOM 1547 HD2 HIS 104 52.780 22.990 35.150 1.00 0.00 H +ATOM 1548 C HIS 104 54.400 21.030 39.690 1.00 0.00 C +ATOM 1549 O HIS 104 54.280 19.830 40.060 1.00 0.00 O +ATOM 1550 N LYS 105 55.350 21.810 40.150 1.00 0.00 N +ATOM 1551 HN LYS 105 55.430 22.790 39.980 1.00 0.00 H +ATOM 1552 CA LYS 105 56.240 21.270 41.180 1.00 0.00 C +ATOM 1553 HA LYS 105 56.894 20.466 40.878 1.00 0.00 H +ATOM 1554 CB LYS 105 57.310 22.360 41.470 1.00 0.00 C +ATOM 1555 HB1 LYS 105 57.870 22.400 40.510 1.00 0.00 H +ATOM 1556 HB2 LYS 105 56.848 23.356 41.640 1.00 0.00 H +ATOM 1557 CG LYS 105 58.280 22.110 42.630 1.00 0.00 C +ATOM 1558 HG1 LYS 105 57.830 22.210 43.640 1.00 0.00 H +ATOM 1559 HG2 LYS 105 58.670 21.070 42.590 1.00 0.00 H +ATOM 1560 CD LYS 105 59.430 23.080 42.670 1.00 0.00 C +ATOM 1561 HD1 LYS 105 60.052 22.950 41.758 1.00 0.00 H +ATOM 1562 HD2 LYS 105 58.942 24.078 42.690 1.00 0.00 H +ATOM 1563 CE LYS 105 60.310 22.900 43.900 1.00 0.00 C +ATOM 1564 HE1 LYS 105 59.722 22.810 44.838 1.00 0.00 H +ATOM 1565 HE2 LYS 105 60.950 21.992 43.920 1.00 0.00 H +ATOM 1566 NZ LYS 105 61.150 24.090 44.110 1.00 0.00 N +ATOM 1567 HZ1 LYS 105 60.390 24.760 44.340 1.00 0.00 H +ATOM 1568 HZ2 LYS 105 61.870 23.880 44.830 1.00 0.00 H +ATOM 1569 HZ3 LYS 105 61.558 24.458 43.226 1.00 0.00 H +ATOM 1570 C LYS 105 55.580 20.850 42.480 1.00 0.00 C +ATOM 1571 O LYS 105 54.660 21.520 42.960 1.00 0.00 O +ATOM 1572 N SER 106 55.910 19.670 43.000 1.00 0.00 N +ATOM 1573 HN SER 106 56.710 19.180 42.660 1.00 0.00 H +ATOM 1574 CA SER 106 55.050 18.950 43.970 1.00 0.00 C +ATOM 1575 HA SER 106 54.098 18.930 43.460 1.00 0.00 H +ATOM 1576 CB SER 106 55.490 17.520 44.230 1.00 0.00 C +ATOM 1577 HB1 SER 106 54.874 16.974 44.976 1.00 0.00 H +ATOM 1578 HB2 SER 106 55.440 16.874 43.326 1.00 0.00 H +ATOM 1579 OG SER 106 56.910 17.620 44.550 1.00 0.00 O +ATOM 1580 HG1 SER 106 57.368 17.034 43.944 1.00 0.00 H +ATOM 1581 C SER 106 54.800 19.690 45.260 1.00 0.00 C +ATOM 1582 O SER 106 53.720 19.580 45.810 1.00 0.00 O +ATOM 1583 N SER 107 55.810 20.370 45.720 1.00 0.00 N +ATOM 1584 HN SER 107 56.656 20.340 45.192 1.00 0.00 H +ATOM 1585 CA SER 107 55.890 20.980 47.030 1.00 0.00 C +ATOM 1586 HA SER 107 55.300 20.360 47.690 1.00 0.00 H +ATOM 1587 CB SER 107 57.270 20.920 47.590 1.00 0.00 C +ATOM 1588 HB1 SER 107 57.300 21.510 48.530 1.00 0.00 H +ATOM 1589 HB2 SER 107 57.510 19.852 47.780 1.00 0.00 H +ATOM 1590 OG SER 107 58.300 21.370 46.670 1.00 0.00 O +ATOM 1591 HG1 SER 107 59.090 21.430 47.210 1.00 0.00 H +ATOM 1592 C SER 107 55.420 22.440 47.000 1.00 0.00 C +ATOM 1593 O SER 107 55.260 23.100 48.030 1.00 0.00 O +ATOM 1594 N GLU 108 55.160 22.870 45.720 1.00 0.00 N +ATOM 1595 HN GLU 108 55.110 22.180 45.002 1.00 0.00 H +ATOM 1596 CA GLU 108 54.620 24.190 45.370 1.00 0.00 C +ATOM 1597 HA GLU 108 54.530 24.784 46.266 1.00 0.00 H +ATOM 1598 CB GLU 108 55.550 24.910 44.350 1.00 0.00 C +ATOM 1599 HB1 GLU 108 55.780 24.270 43.470 1.00 0.00 H +ATOM 1600 HB2 GLU 108 55.142 25.836 43.892 1.00 0.00 H +ATOM 1601 CG GLU 108 56.840 25.310 45.110 1.00 0.00 C +ATOM 1602 HG1 GLU 108 56.590 26.030 45.920 1.00 0.00 H +ATOM 1603 HG2 GLU 108 57.300 24.430 45.610 1.00 0.00 H +ATOM 1604 CD GLU 108 57.880 26.050 44.340 1.00 0.00 C +ATOM 1605 OE1 GLU 108 57.620 26.760 43.350 1.00 0.00 O +ATOM 1606 OE2 GLU 108 59.100 25.810 44.710 1.00 0.00 O +ATOM 1607 C GLU 108 53.170 23.860 44.930 1.00 0.00 C +ATOM 1608 O GLU 108 52.480 23.050 45.510 1.00 0.00 O +ATOM 1609 N GLY 109 52.650 24.470 43.840 1.00 0.00 N +ATOM 1610 HN GLY 109 53.198 25.068 43.262 1.00 0.00 H +ATOM 1611 CA GLY 109 51.280 24.310 43.320 1.00 0.00 C +ATOM 1612 HA1 GLY 109 51.400 23.920 42.320 1.00 0.00 H +ATOM 1613 HA2 GLY 109 50.790 23.582 43.950 1.00 0.00 H +ATOM 1614 C GLY 109 50.410 25.510 43.210 1.00 0.00 C +ATOM 1615 O GLY 109 50.880 26.650 43.250 1.00 0.00 O +ATOM 1616 N PHE 110 49.110 25.330 43.020 1.00 0.00 N +ATOM 1617 HN PHE 110 48.860 24.366 43.060 1.00 0.00 H +ATOM 1618 CA PHE 110 48.080 26.330 43.100 1.00 0.00 C +ATOM 1619 HA PHE 110 48.490 27.130 43.700 1.00 0.00 H +ATOM 1620 CB PHE 110 47.630 26.930 41.760 1.00 0.00 C +ATOM 1621 HB1 PHE 110 47.160 27.932 41.850 1.00 0.00 H +ATOM 1622 HB2 PHE 110 48.532 27.080 41.128 1.00 0.00 H +ATOM 1623 CG PHE 110 46.800 26.040 40.940 1.00 0.00 C +ATOM 1624 CD1 PHE 110 47.330 25.220 39.930 1.00 0.00 C +ATOM 1625 HD1 PHE 110 48.402 25.300 39.830 1.00 0.00 H +ATOM 1626 CE1 PHE 110 46.530 24.480 39.110 1.00 0.00 C +ATOM 1627 HE1 PHE 110 47.012 24.048 38.246 1.00 0.00 H +ATOM 1628 CZ PHE 110 45.140 24.560 39.190 1.00 0.00 C +ATOM 1629 HZ PHE 110 44.510 24.140 38.420 1.00 0.00 H +ATOM 1630 CD2 PHE 110 45.420 26.050 40.990 1.00 0.00 C +ATOM 1631 HD2 PHE 110 45.080 26.728 41.758 1.00 0.00 H +ATOM 1632 CE2 PHE 110 44.540 25.280 40.210 1.00 0.00 C +ATOM 1633 HE2 PHE 110 43.468 25.370 40.310 1.00 0.00 H +ATOM 1634 C PHE 110 46.890 25.720 43.810 1.00 0.00 C +ATOM 1635 O PHE 110 46.710 24.530 43.660 1.00 0.00 O +ATOM 1636 N TYR 111 46.100 26.600 44.550 1.00 0.00 N +ATOM 1637 HN TYR 111 46.330 27.566 44.640 1.00 0.00 H +ATOM 1638 CA TYR 111 44.860 26.230 45.210 1.00 0.00 C +ATOM 1639 HA TYR 111 44.490 25.302 44.800 1.00 0.00 H +ATOM 1640 CB TYR 111 45.080 26.040 46.730 1.00 0.00 C +ATOM 1641 HB1 TYR 111 44.166 25.758 47.294 1.00 0.00 H +ATOM 1642 HB2 TYR 111 45.662 25.106 46.880 1.00 0.00 H +ATOM 1643 CG TYR 111 45.740 27.220 47.400 1.00 0.00 C +ATOM 1644 CD1 TYR 111 47.120 27.480 47.290 1.00 0.00 C +ATOM 1645 HD1 TYR 111 47.722 26.826 46.678 1.00 0.00 H +ATOM 1646 CE1 TYR 111 47.700 28.500 48.100 1.00 0.00 C +ATOM 1647 HE1 TYR 111 48.750 28.740 48.010 1.00 0.00 H +ATOM 1648 CZ TYR 111 46.900 29.270 48.860 1.00 0.00 C +ATOM 1649 OH TYR 111 47.360 30.360 49.650 1.00 0.00 O +ATOM 1650 HH TYR 111 48.318 30.310 49.650 1.00 0.00 H +ATOM 1651 CD2 TYR 111 44.970 28.020 48.280 1.00 0.00 C +ATOM 1652 HD2 TYR 111 43.906 27.860 48.370 1.00 0.00 H +ATOM 1653 CE2 TYR 111 45.490 29.040 48.980 1.00 0.00 C +ATOM 1654 HE2 TYR 111 44.940 29.560 49.750 1.00 0.00 H +ATOM 1655 C TYR 111 43.710 27.240 44.880 1.00 0.00 C +ATOM 1656 O TYR 111 43.890 28.460 44.490 1.00 0.00 O +ATOM 1657 N VAL 112 42.460 26.800 44.880 1.00 0.00 N +ATOM 1658 HN VAL 112 42.268 25.832 45.012 1.00 0.00 H +ATOM 1659 CA VAL 112 41.210 27.440 44.400 1.00 0.00 C +ATOM 1660 HA VAL 112 41.528 28.434 44.122 1.00 0.00 H +ATOM 1661 CB VAL 112 40.500 26.710 43.230 1.00 0.00 C +ATOM 1662 HB VAL 112 40.350 25.670 43.590 1.00 0.00 H +ATOM 1663 CG1 VAL 112 39.220 27.390 42.830 1.00 0.00 C +ATOM 1664 1HG1 VAL 112 38.538 27.550 43.692 1.00 0.00 H +ATOM 1665 2HG1 VAL 112 39.498 28.344 42.332 1.00 0.00 H +ATOM 1666 3HG1 VAL 112 38.688 26.748 42.098 1.00 0.00 H +ATOM 1667 CG2 VAL 112 41.450 26.740 42.000 1.00 0.00 C +ATOM 1668 1HG2 VAL 112 40.972 26.382 41.064 1.00 0.00 H +ATOM 1669 2HG2 VAL 112 41.720 27.808 41.850 1.00 0.00 H +ATOM 1670 3HG2 VAL 112 42.336 26.082 42.130 1.00 0.00 H +ATOM 1671 C VAL 112 40.160 27.590 45.580 1.00 0.00 C +ATOM 1672 O VAL 112 39.800 26.610 46.190 1.00 0.00 O +ATOM 1673 N CYS 113 39.610 28.800 45.810 1.00 0.00 N +ATOM 1674 HN CYS 113 39.730 29.552 45.168 1.00 0.00 H +ATOM 1675 CA CYS 113 38.540 28.960 46.830 1.00 0.00 C +ATOM 1676 HA CYS 113 38.420 28.004 47.318 1.00 0.00 H +ATOM 1677 CB CYS 113 38.940 29.870 47.940 1.00 0.00 C +ATOM 1678 HB1 CYS 113 39.162 30.864 47.498 1.00 0.00 H +ATOM 1679 HB2 CYS 113 38.170 30.120 48.700 1.00 0.00 H +ATOM 1680 SG CYS 113 40.510 29.400 48.670 1.00 0.00 S +ATOM 1681 C CYS 113 37.210 29.480 46.230 1.00 0.00 C +ATOM 1682 O CYS 113 37.300 30.240 45.270 1.00 0.00 O +ATOM 1683 N PRO 114 36.030 29.250 46.830 1.00 0.00 N +ATOM 1684 CD PRO 114 35.920 28.450 48.050 1.00 0.00 C +ATOM 1685 HD1 PRO 114 36.450 28.910 48.910 1.00 0.00 H +ATOM 1686 HD2 PRO 114 36.280 27.442 47.750 1.00 0.00 H +ATOM 1687 CA PRO 114 34.730 29.540 46.260 1.00 0.00 C +ATOM 1688 HA PRO 114 34.790 29.530 45.182 1.00 0.00 H +ATOM 1689 CB PRO 114 33.750 28.610 46.870 1.00 0.00 C +ATOM 1690 HB1 PRO 114 32.694 28.952 46.910 1.00 0.00 H +ATOM 1691 HB2 PRO 114 33.850 27.668 46.288 1.00 0.00 H +ATOM 1692 CG PRO 114 34.410 28.440 48.270 1.00 0.00 C +ATOM 1693 HG1 PRO 114 34.028 29.182 49.002 1.00 0.00 H +ATOM 1694 HG2 PRO 114 34.060 27.458 48.652 1.00 0.00 H +ATOM 1695 C PRO 114 34.380 30.940 46.660 1.00 0.00 C +ATOM 1696 O PRO 114 34.700 31.430 47.740 1.00 0.00 O +ATOM 1697 N GLY 115 33.700 31.670 45.850 1.00 0.00 N +ATOM 1698 HN GLY 115 33.480 31.380 44.922 1.00 0.00 H +ATOM 1699 CA GLY 115 33.150 33.040 46.010 1.00 0.00 C +ATOM 1700 HA1 GLY 115 33.730 33.660 46.680 1.00 0.00 H +ATOM 1701 HA2 GLY 115 33.050 33.560 45.070 1.00 0.00 H +ATOM 1702 C GLY 115 31.750 33.130 46.600 1.00 0.00 C +ATOM 1703 O GLY 115 31.420 32.370 47.540 1.00 0.00 O +ATOM 1704 N SER 116 30.910 34.090 46.120 1.00 0.00 N +ATOM 1705 HN SER 116 31.252 34.762 45.468 1.00 0.00 H +ATOM 1706 CA SER 116 29.550 34.430 46.610 1.00 0.00 C +ATOM 1707 HA SER 116 29.660 34.840 47.602 1.00 0.00 H +ATOM 1708 CB SER 116 28.790 35.450 45.670 1.00 0.00 C +ATOM 1709 HB1 SER 116 27.722 35.430 45.980 1.00 0.00 H +ATOM 1710 HB2 SER 116 29.300 36.420 45.850 1.00 0.00 H +ATOM 1711 OG SER 116 29.080 35.130 44.330 1.00 0.00 O +ATOM 1712 HG1 SER 116 28.560 35.690 43.750 1.00 0.00 H +ATOM 1713 C SER 116 28.610 33.260 46.770 1.00 0.00 C +ATOM 1714 O SER 116 27.610 33.430 47.510 1.00 0.00 O +ATOM 1715 N HIS 117 28.870 32.050 46.160 1.00 0.00 N +ATOM 1716 HN HIS 117 29.668 31.860 45.592 1.00 0.00 H +ATOM 1717 CA HIS 117 28.020 30.880 46.300 1.00 0.00 C +ATOM 1718 HA HIS 117 27.012 31.248 46.430 1.00 0.00 H +ATOM 1719 CB HIS 117 28.170 29.980 45.030 1.00 0.00 C +ATOM 1720 HB1 HIS 117 27.532 29.072 44.980 1.00 0.00 H +ATOM 1721 HB2 HIS 117 27.880 30.638 44.182 1.00 0.00 H +ATOM 1722 ND1 HIS 117 30.540 30.270 44.250 1.00 0.00 N +ATOM 1723 CG HIS 117 29.540 29.480 44.800 1.00 0.00 C +ATOM 1724 CE1 HIS 117 31.460 29.380 43.950 1.00 0.00 C +ATOM 1725 HE1 HIS 117 32.452 29.660 43.600 1.00 0.00 H +ATOM 1726 NE2 HIS 117 31.120 28.090 44.310 1.00 0.00 N +ATOM 1727 HE2 HIS 117 31.698 27.274 44.300 1.00 0.00 H +ATOM 1728 CD2 HIS 117 29.870 28.150 44.870 1.00 0.00 C +ATOM 1729 HD2 HIS 117 29.290 27.338 45.290 1.00 0.00 H +ATOM 1730 C HIS 117 28.400 29.980 47.440 1.00 0.00 C +ATOM 1731 O HIS 117 27.700 29.070 47.680 1.00 0.00 O +ATOM 1732 N ARG 118 29.460 30.250 48.210 1.00 0.00 N +ATOM 1733 HN ARG 118 30.020 31.030 47.940 1.00 0.00 H +ATOM 1734 CA ARG 118 29.870 29.740 49.500 1.00 0.00 C +ATOM 1735 HA ARG 118 29.940 28.668 49.390 1.00 0.00 H +ATOM 1736 CB ARG 118 31.290 30.260 49.850 1.00 0.00 C +ATOM 1737 HB1 ARG 118 31.830 29.578 50.542 1.00 0.00 H +ATOM 1738 HB2 ARG 118 31.860 30.320 48.898 1.00 0.00 H +ATOM 1739 CG ARG 118 31.280 31.680 50.500 1.00 0.00 C +ATOM 1740 HG1 ARG 118 30.520 32.310 49.990 1.00 0.00 H +ATOM 1741 HG2 ARG 118 30.932 31.660 51.556 1.00 0.00 H +ATOM 1742 CD ARG 118 32.640 32.420 50.580 1.00 0.00 C +ATOM 1743 HD1 ARG 118 33.422 31.960 51.222 1.00 0.00 H +ATOM 1744 HD2 ARG 118 33.212 32.420 49.628 1.00 0.00 H +ATOM 1745 NE ARG 118 32.440 33.870 50.840 1.00 0.00 N +ATOM 1746 HE ARG 118 31.514 34.232 50.730 1.00 0.00 H +ATOM 1747 CZ ARG 118 33.460 34.730 51.120 1.00 0.00 C +ATOM 1748 NH1 ARG 118 34.680 34.360 51.120 1.00 0.00 N +ATOM 1749 1HH1 ARG 118 34.960 33.422 50.910 1.00 0.00 H +ATOM 1750 2HH1 ARG 118 35.308 35.138 51.100 1.00 0.00 H +ATOM 1751 NH2 ARG 118 33.240 36.030 51.260 1.00 0.00 N +ATOM 1752 1HH2 ARG 118 32.332 36.410 51.080 1.00 0.00 H +ATOM 1753 2HH2 ARG 118 34.052 36.612 51.320 1.00 0.00 H +ATOM 1754 C ARG 118 28.780 30.040 50.530 1.00 0.00 C +ATOM 1755 O ARG 118 28.140 31.110 50.470 1.00 0.00 O +ATOM 1756 N PRO 119 28.550 29.170 51.550 1.00 0.00 N +ATOM 1757 CD PRO 119 29.110 27.820 51.770 1.00 0.00 C +ATOM 1758 HD1 PRO 119 30.182 27.800 52.060 1.00 0.00 H +ATOM 1759 HD2 PRO 119 28.950 27.172 50.882 1.00 0.00 H +ATOM 1760 CA PRO 119 27.580 29.530 52.600 1.00 0.00 C +ATOM 1761 HA PRO 119 26.842 30.228 52.232 1.00 0.00 H +ATOM 1762 CB PRO 119 27.090 28.140 52.950 1.00 0.00 C +ATOM 1763 HB1 PRO 119 26.582 28.080 53.936 1.00 0.00 H +ATOM 1764 HB2 PRO 119 26.336 27.678 52.278 1.00 0.00 H +ATOM 1765 CG PRO 119 28.320 27.300 52.940 1.00 0.00 C +ATOM 1766 HG1 PRO 119 28.880 27.330 53.900 1.00 0.00 H +ATOM 1767 HG2 PRO 119 28.060 26.228 52.810 1.00 0.00 H +ATOM 1768 C PRO 119 28.320 30.250 53.760 1.00 0.00 C +ATOM 1769 O PRO 119 28.840 31.290 53.500 1.00 0.00 O +ATOM 1770 N ARG 120 28.390 29.820 55.000 1.00 0.00 N +ATOM 1771 HN ARG 120 27.940 28.990 55.320 1.00 0.00 H +ATOM 1772 CA ARG 120 28.940 30.600 56.080 1.00 0.00 C +ATOM 1773 HA ARG 120 28.800 31.656 55.900 1.00 0.00 H +ATOM 1774 CB ARG 120 28.230 30.350 57.460 1.00 0.00 C +ATOM 1775 HB1 ARG 120 28.670 30.980 58.262 1.00 0.00 H +ATOM 1776 HB2 ARG 120 27.164 30.652 57.380 1.00 0.00 H +ATOM 1777 CG ARG 120 28.100 28.830 57.840 1.00 0.00 C +ATOM 1778 HG1 ARG 120 27.482 28.362 57.044 1.00 0.00 H +ATOM 1779 HG2 ARG 120 29.064 28.338 57.590 1.00 0.00 H +ATOM 1780 CD ARG 120 27.680 28.500 59.270 1.00 0.00 C +ATOM 1781 HD1 ARG 120 27.620 27.390 59.280 1.00 0.00 H +ATOM 1782 HD2 ARG 120 28.424 28.630 60.084 1.00 0.00 H +ATOM 1783 NE ARG 120 26.360 29.190 59.530 1.00 0.00 N +ATOM 1784 HE ARG 120 25.544 28.782 59.122 1.00 0.00 H +ATOM 1785 CZ ARG 120 26.100 30.140 60.430 1.00 0.00 C +ATOM 1786 NH1 ARG 120 27.050 30.780 61.150 1.00 0.00 N +ATOM 1787 1HH1 ARG 120 28.046 30.690 61.120 1.00 0.00 H +ATOM 1788 2HH1 ARG 120 26.700 31.632 61.540 1.00 0.00 H +ATOM 1789 NH2 ARG 120 24.870 30.500 60.800 1.00 0.00 N +ATOM 1790 1HH2 ARG 120 24.088 29.878 60.820 1.00 0.00 H +ATOM 1791 2HH2 ARG 120 24.860 31.212 61.502 1.00 0.00 H +ATOM 1792 C ARG 120 30.410 30.460 56.210 1.00 0.00 C +ATOM 1793 O ARG 120 30.930 30.500 57.300 1.00 0.00 O +ATOM 1794 N GLU 121 31.170 30.360 55.100 1.00 0.00 N +ATOM 1795 HN GLU 121 30.720 30.220 54.222 1.00 0.00 H +ATOM 1796 CA GLU 121 32.640 30.340 55.050 1.00 0.00 C +ATOM 1797 HA GLU 121 33.090 29.930 55.942 1.00 0.00 H +ATOM 1798 CB GLU 121 33.090 29.600 53.760 1.00 0.00 C +ATOM 1799 HB1 GLU 121 32.588 30.052 52.878 1.00 0.00 H +ATOM 1800 HB2 GLU 121 34.150 29.770 53.470 1.00 0.00 H +ATOM 1801 CG GLU 121 32.820 28.050 53.820 1.00 0.00 C +ATOM 1802 HG1 GLU 121 31.752 27.820 53.620 1.00 0.00 H +ATOM 1803 HG2 GLU 121 33.478 27.412 53.192 1.00 0.00 H +ATOM 1804 CD GLU 121 33.120 27.480 55.140 1.00 0.00 C +ATOM 1805 OE1 GLU 121 34.340 27.280 55.470 1.00 0.00 O +ATOM 1806 OE2 GLU 121 32.120 27.240 55.910 1.00 0.00 O +ATOM 1807 C GLU 121 33.110 31.790 54.880 1.00 0.00 C +ATOM 1808 O GLU 121 34.280 32.020 54.820 1.00 0.00 O +ATOM 1809 N ALA 122 32.240 32.810 54.910 1.00 0.00 N +ATOM 1810 HN ALA 122 31.270 32.580 54.940 1.00 0.00 H +ATOM 1811 CA ALA 122 32.500 34.230 54.870 1.00 0.00 C +ATOM 1812 HA ALA 122 33.240 34.440 54.110 1.00 0.00 H +ATOM 1813 CB ALA 122 31.220 34.920 54.362 1.00 0.00 C +ATOM 1814 HB1 ALA 122 30.766 34.558 53.414 1.00 0.00 H +ATOM 1815 HB2 ALA 122 30.426 34.850 55.134 1.00 0.00 H +ATOM 1816 HB3 ALA 122 31.380 36.012 54.240 1.00 0.00 H +ATOM 1817 C ALA 122 32.960 34.760 56.160 1.00 0.00 C +ATOM 1818 O ALA 122 33.210 35.900 56.230 1.00 0.00 O +ATOM 1819 N LYS 123 33.170 33.990 57.180 1.00 0.00 N +ATOM 1820 HN LYS 123 32.882 33.064 56.950 1.00 0.00 H +ATOM 1821 CA LYS 123 33.660 34.350 58.510 1.00 0.00 C +ATOM 1822 HA LYS 123 33.310 35.322 58.820 1.00 0.00 H +ATOM 1823 CB LYS 123 33.190 33.240 59.500 1.00 0.00 C +ATOM 1824 HB1 LYS 123 33.650 33.390 60.500 1.00 0.00 H +ATOM 1825 HB2 LYS 123 32.096 33.430 59.550 1.00 0.00 H +ATOM 1826 CG LYS 123 33.440 31.750 59.150 1.00 0.00 C +ATOM 1827 HG1 LYS 123 32.780 31.220 59.870 1.00 0.00 H +ATOM 1828 HG2 LYS 123 33.180 31.600 58.080 1.00 0.00 H +ATOM 1829 CD LYS 123 34.920 31.320 59.320 1.00 0.00 C +ATOM 1830 HD1 LYS 123 35.588 32.208 59.290 1.00 0.00 H +ATOM 1831 HD2 LYS 123 35.060 31.060 60.390 1.00 0.00 H +ATOM 1832 CE LYS 123 35.320 30.360 58.170 1.00 0.00 C +ATOM 1833 HE1 LYS 123 34.508 29.608 58.070 1.00 0.00 H +ATOM 1834 HE2 LYS 123 35.340 30.892 57.196 1.00 0.00 H +ATOM 1835 NZ LYS 123 36.600 29.780 58.550 1.00 0.00 N +ATOM 1836 HZ1 LYS 123 36.400 29.288 59.444 1.00 0.00 H +ATOM 1837 HZ2 LYS 123 36.968 29.134 57.824 1.00 0.00 H +ATOM 1838 HZ3 LYS 123 37.284 30.544 58.728 1.00 0.00 H +ATOM 1839 C LYS 123 35.200 34.620 58.600 1.00 0.00 C +ATOM 1840 O LYS 123 35.650 35.260 59.520 1.00 0.00 O +ATOM 1841 N SER 124 35.950 34.170 57.580 1.00 0.00 N +ATOM 1842 HN SER 124 35.570 33.570 56.880 1.00 0.00 H +ATOM 1843 CA SER 124 37.370 34.430 57.570 1.00 0.00 C +ATOM 1844 HA SER 124 37.490 35.492 57.720 1.00 0.00 H +ATOM 1845 CB SER 124 38.180 33.650 58.670 1.00 0.00 C +ATOM 1846 HB1 SER 124 39.222 34.030 58.610 1.00 0.00 H +ATOM 1847 HB2 SER 124 37.870 33.900 59.708 1.00 0.00 H +ATOM 1848 OG SER 124 38.160 32.220 58.540 1.00 0.00 O +ATOM 1849 HG1 SER 124 38.758 31.822 59.178 1.00 0.00 H +ATOM 1850 C SER 124 38.040 34.170 56.290 1.00 0.00 C +ATOM 1851 O SER 124 39.280 34.050 56.210 1.00 0.00 O +ATOM 1852 N CYS 125 37.190 34.070 55.190 1.00 0.00 N +ATOM 1853 HN CYS 125 36.202 34.200 55.190 1.00 0.00 H +ATOM 1854 CA CYS 125 37.840 33.630 53.930 1.00 0.00 C +ATOM 1855 HA CYS 125 38.788 33.152 54.130 1.00 0.00 H +ATOM 1856 CB CYS 125 37.040 32.490 53.190 1.00 0.00 C +ATOM 1857 HB1 CYS 125 35.970 32.760 53.060 1.00 0.00 H +ATOM 1858 HB2 CYS 125 37.552 32.420 52.206 1.00 0.00 H +ATOM 1859 SG CYS 125 37.190 30.910 53.990 1.00 0.00 S +ATOM 1860 C CYS 125 38.110 34.820 53.030 1.00 0.00 C +ATOM 1861 O CYS 125 38.770 34.690 52.020 1.00 0.00 O +ATOM 1862 N GLY 126 37.480 35.970 53.310 1.00 0.00 N +ATOM 1863 HN GLY 126 36.806 36.100 54.034 1.00 0.00 H +ATOM 1864 CA GLY 126 37.870 37.140 52.540 1.00 0.00 C +ATOM 1865 HA1 GLY 126 37.660 38.028 53.118 1.00 0.00 H +ATOM 1866 HA2 GLY 126 38.888 37.020 52.200 1.00 0.00 H +ATOM 1867 C GLY 126 37.150 37.320 51.210 1.00 0.00 C +ATOM 1868 O GLY 126 36.240 36.600 50.830 1.00 0.00 O +ATOM 1869 N GLY 127 37.530 38.500 50.560 1.00 0.00 N +ATOM 1870 HN GLY 127 38.290 38.960 51.010 1.00 0.00 H +ATOM 1871 CA GLY 127 36.860 39.100 49.420 1.00 0.00 C +ATOM 1872 HA1 GLY 127 35.896 38.648 49.240 1.00 0.00 H +ATOM 1873 HA2 GLY 127 36.770 40.156 49.630 1.00 0.00 H +ATOM 1874 C GLY 127 37.650 38.970 48.160 1.00 0.00 C +ATOM 1875 O GLY 127 38.520 38.110 48.120 1.00 0.00 O +ATOM 1876 N PRO 128 37.430 39.650 47.020 1.00 0.00 N +ATOM 1877 CD PRO 128 36.320 40.560 46.750 1.00 0.00 C +ATOM 1878 HD1 PRO 128 36.570 41.594 47.072 1.00 0.00 H +ATOM 1879 HD2 PRO 128 35.372 40.250 47.240 1.00 0.00 H +ATOM 1880 CA PRO 128 38.290 39.540 45.830 1.00 0.00 C +ATOM 1881 HA PRO 128 38.160 38.534 45.458 1.00 0.00 H +ATOM 1882 CB PRO 128 37.740 40.600 44.880 1.00 0.00 C +ATOM 1883 HB1 PRO 128 38.138 41.606 45.130 1.00 0.00 H +ATOM 1884 HB2 PRO 128 37.830 40.270 43.822 1.00 0.00 H +ATOM 1885 CG PRO 128 36.210 40.580 45.220 1.00 0.00 C +ATOM 1886 HG1 PRO 128 35.748 41.494 44.788 1.00 0.00 H +ATOM 1887 HG2 PRO 128 35.748 39.698 44.728 1.00 0.00 H +ATOM 1888 C PRO 128 39.790 39.800 46.110 1.00 0.00 C +ATOM 1889 O PRO 128 40.740 39.370 45.450 1.00 0.00 O +ATOM 1890 N ASP 129 40.090 40.620 47.110 1.00 0.00 N +ATOM 1891 HN ASP 129 39.420 41.020 47.730 1.00 0.00 H +ATOM 1892 CA ASP 129 41.440 41.030 47.520 1.00 0.00 C +ATOM 1893 HA ASP 129 41.988 41.398 46.664 1.00 0.00 H +ATOM 1894 CB ASP 129 41.330 42.130 48.600 1.00 0.00 C +ATOM 1895 HB1 ASP 129 42.360 42.440 48.880 1.00 0.00 H +ATOM 1896 HB2 ASP 129 40.890 43.040 48.140 1.00 0.00 H +ATOM 1897 CG ASP 129 40.520 41.840 49.840 1.00 0.00 C +ATOM 1898 OD1 ASP 129 39.470 41.220 49.780 1.00 0.00 O +ATOM 1899 OD2 ASP 129 40.850 42.420 50.940 1.00 0.00 O +ATOM 1900 C ASP 129 42.190 39.870 48.100 1.00 0.00 C +ATOM 1901 O ASP 129 43.360 39.660 47.840 1.00 0.00 O +ATOM 1902 N SER 130 41.490 38.950 48.850 1.00 0.00 N +ATOM 1903 HN SER 130 40.534 39.120 49.078 1.00 0.00 H +ATOM 1904 CA SER 130 42.180 37.830 49.450 1.00 0.00 C +ATOM 1905 HA SER 130 43.232 38.040 49.570 1.00 0.00 H +ATOM 1906 CB SER 130 41.480 37.370 50.690 1.00 0.00 C +ATOM 1907 HB1 SER 130 40.484 36.918 50.498 1.00 0.00 H +ATOM 1908 HB2 SER 130 41.988 36.562 51.258 1.00 0.00 H +ATOM 1909 OG SER 130 41.180 38.460 51.600 1.00 0.00 O +ATOM 1910 HG1 SER 130 42.010 38.880 51.840 1.00 0.00 H +ATOM 1911 C SER 130 41.970 36.620 48.540 1.00 0.00 C +ATOM 1912 O SER 130 42.350 35.450 48.780 1.00 0.00 O +ATOM 1913 N PHE 131 41.340 36.880 47.370 1.00 0.00 N +ATOM 1914 HN PHE 131 41.170 37.832 47.130 1.00 0.00 H +ATOM 1915 CA PHE 131 40.990 35.890 46.300 1.00 0.00 C +ATOM 1916 HA PHE 131 40.338 36.402 45.608 1.00 0.00 H +ATOM 1917 CB PHE 131 42.190 35.250 45.610 1.00 0.00 C +ATOM 1918 HB1 PHE 131 42.638 34.582 46.378 1.00 0.00 H +ATOM 1919 HB2 PHE 131 41.808 34.668 44.746 1.00 0.00 H +ATOM 1920 CG PHE 131 43.190 36.310 45.250 1.00 0.00 C +ATOM 1921 CD1 PHE 131 42.930 37.190 44.190 1.00 0.00 C +ATOM 1922 HD1 PHE 131 41.914 37.210 43.822 1.00 0.00 H +ATOM 1923 CE1 PHE 131 43.820 38.200 43.780 1.00 0.00 C +ATOM 1924 HE1 PHE 131 43.510 39.030 43.160 1.00 0.00 H +ATOM 1925 CZ PHE 131 44.950 38.320 44.540 1.00 0.00 C +ATOM 1926 HZ PHE 131 45.710 39.050 44.310 1.00 0.00 H +ATOM 1927 CD2 PHE 131 44.410 36.430 45.920 1.00 0.00 C +ATOM 1928 HD2 PHE 131 44.510 35.878 46.842 1.00 0.00 H +ATOM 1929 CE2 PHE 131 45.240 37.470 45.680 1.00 0.00 C +ATOM 1930 HE2 PHE 131 46.120 37.570 46.300 1.00 0.00 H +ATOM 1931 C PHE 131 40.060 34.790 46.850 1.00 0.00 C +ATOM 1932 O PHE 131 40.200 33.650 46.530 1.00 0.00 O +ATOM 1933 N TYR 132 39.290 35.190 47.850 1.00 0.00 N +ATOM 1934 HN TYR 132 39.370 36.164 48.048 1.00 0.00 H +ATOM 1935 CA TYR 132 38.430 34.390 48.690 1.00 0.00 C +ATOM 1936 HA TYR 132 38.060 35.132 49.382 1.00 0.00 H +ATOM 1937 CB TYR 132 37.400 33.740 47.750 1.00 0.00 C +ATOM 1938 HB1 TYR 132 37.850 32.900 47.180 1.00 0.00 H +ATOM 1939 HB2 TYR 132 36.668 33.148 48.342 1.00 0.00 H +ATOM 1940 CG TYR 132 36.720 34.750 46.940 1.00 0.00 C +ATOM 1941 CD1 TYR 132 36.000 35.860 47.560 1.00 0.00 C +ATOM 1942 HD1 TYR 132 35.950 36.110 48.610 1.00 0.00 H +ATOM 1943 CE1 TYR 132 35.260 36.660 46.670 1.00 0.00 C +ATOM 1944 HE1 TYR 132 34.758 37.544 47.032 1.00 0.00 H +ATOM 1945 CZ TYR 132 35.260 36.440 45.290 1.00 0.00 C +ATOM 1946 OH TYR 132 34.760 37.390 44.280 1.00 0.00 O +ATOM 1947 HH TYR 132 34.432 38.108 44.828 1.00 0.00 H +ATOM 1948 CD2 TYR 132 36.660 34.500 45.610 1.00 0.00 C +ATOM 1949 HD2 TYR 132 37.292 33.728 45.198 1.00 0.00 H +ATOM 1950 CE2 TYR 132 36.100 35.470 44.790 1.00 0.00 C +ATOM 1951 HE2 TYR 132 36.190 35.370 43.718 1.00 0.00 H +ATOM 1952 C TYR 132 39.200 33.350 49.420 1.00 0.00 C +ATOM 1953 O TYR 132 38.660 32.430 49.990 1.00 0.00 O +ATOM 1954 N CYS 133 40.530 33.410 49.530 1.00 0.00 N +ATOM 1955 HN CYS 133 41.040 34.192 49.180 1.00 0.00 H +ATOM 1956 CA CYS 133 41.390 32.520 50.220 1.00 0.00 C +ATOM 1957 HA CYS 133 40.848 31.788 50.802 1.00 0.00 H +ATOM 1958 CB CYS 133 42.490 31.740 49.440 1.00 0.00 C +ATOM 1959 HB1 CYS 133 43.200 32.470 49.000 1.00 0.00 H +ATOM 1960 HB2 CYS 133 43.038 31.082 50.148 1.00 0.00 H +ATOM 1961 SG CYS 133 41.920 30.680 48.060 1.00 0.00 S +ATOM 1962 C CYS 133 42.160 33.290 51.270 1.00 0.00 C +ATOM 1963 O CYS 133 43.360 33.450 51.120 1.00 0.00 O +ATOM 1964 N ALA 134 41.590 33.880 52.350 1.00 0.00 N +ATOM 1965 HN ALA 134 40.606 33.860 52.510 1.00 0.00 H +ATOM 1966 CA ALA 134 42.350 34.530 53.410 1.00 0.00 C +ATOM 1967 HA ALA 134 43.182 35.012 52.918 1.00 0.00 H +ATOM 1968 CB ALA 134 41.500 35.580 54.110 1.00 0.00 C +ATOM 1969 HB1 ALA 134 41.360 36.458 53.442 1.00 0.00 H +ATOM 1970 HB2 ALA 134 40.510 35.330 54.550 1.00 0.00 H +ATOM 1971 HB3 ALA 134 42.020 35.970 55.010 1.00 0.00 H +ATOM 1972 C ALA 134 42.990 33.620 54.500 1.00 0.00 C +ATOM 1973 O ALA 134 43.830 34.040 55.270 1.00 0.00 O +ATOM 1974 N SER 135 42.570 32.350 54.530 1.00 0.00 N +ATOM 1975 HN SER 135 41.826 32.078 53.926 1.00 0.00 H +ATOM 1976 CA SER 135 43.110 31.420 55.540 1.00 0.00 C +ATOM 1977 HA SER 135 44.170 31.600 55.630 1.00 0.00 H +ATOM 1978 CB SER 135 42.350 31.480 56.880 1.00 0.00 C +ATOM 1979 HB1 SER 135 41.278 31.610 56.620 1.00 0.00 H +ATOM 1980 HB2 SER 135 42.600 30.638 57.562 1.00 0.00 H +ATOM 1981 OG SER 135 42.870 32.630 57.570 1.00 0.00 O +ATOM 1982 HG1 SER 135 43.240 33.210 56.900 1.00 0.00 H +ATOM 1983 C SER 135 42.940 30.110 54.920 1.00 0.00 C +ATOM 1984 O SER 135 42.180 29.920 54.000 1.00 0.00 O +ATOM 1985 N TRP 136 43.720 29.070 55.340 1.00 0.00 N +ATOM 1986 HN TRP 136 44.462 29.210 55.992 1.00 0.00 H +ATOM 1987 CA TRP 136 43.490 27.670 55.090 1.00 0.00 C +ATOM 1988 HA TRP 136 43.410 27.660 54.012 1.00 0.00 H +ATOM 1989 CB TRP 136 44.690 26.730 55.510 1.00 0.00 C +ATOM 1990 HB1 TRP 136 44.730 26.550 56.606 1.00 0.00 H +ATOM 1991 HB2 TRP 136 44.410 25.720 55.140 1.00 0.00 H +ATOM 1992 CG TRP 136 46.080 27.270 55.140 1.00 0.00 C +ATOM 1993 CD1 TRP 136 47.050 27.820 55.950 1.00 0.00 C +ATOM 1994 HD1 TRP 136 46.970 27.920 57.022 1.00 0.00 H +ATOM 1995 NE1 TRP 136 48.080 28.330 55.140 1.00 0.00 N +ATOM 1996 HE1 TRP 136 48.970 28.570 55.460 1.00 0.00 H +ATOM 1997 CE2 TRP 136 47.860 28.030 53.850 1.00 0.00 C +ATOM 1998 CD2 TRP 136 46.610 27.410 53.800 1.00 0.00 C +ATOM 1999 CE3 TRP 136 46.130 27.020 52.580 1.00 0.00 C +ATOM 2000 HE3 TRP 136 45.130 26.620 52.490 1.00 0.00 H +ATOM 2001 CZ3 TRP 136 46.900 27.250 51.410 1.00 0.00 C +ATOM 2002 HZ3 TRP 136 46.430 27.040 50.460 1.00 0.00 H +ATOM 2003 CZ2 TRP 136 48.680 28.230 52.720 1.00 0.00 C +ATOM 2004 HZ2 TRP 136 49.650 28.700 52.770 1.00 0.00 H +ATOM 2005 CH2 TRP 136 48.150 27.770 51.540 1.00 0.00 C +ATOM 2006 HH2 TRP 136 48.750 27.940 50.658 1.00 0.00 H +ATOM 2007 C TRP 136 42.130 27.100 55.570 1.00 0.00 C +ATOM 2008 O TRP 136 41.570 27.540 56.570 1.00 0.00 O +ATOM 2009 N GLY 137 41.590 26.170 54.700 1.00 0.00 N +ATOM 2010 HN GLY 137 42.050 25.790 53.900 1.00 0.00 H +ATOM 2011 CA GLY 137 40.270 25.580 54.890 1.00 0.00 C +ATOM 2012 HA1 GLY 137 40.250 24.572 54.500 1.00 0.00 H +ATOM 2013 HA2 GLY 137 39.928 25.600 55.914 1.00 0.00 H +ATOM 2014 C GLY 137 39.220 26.330 54.070 1.00 0.00 C +ATOM 2015 O GLY 137 38.020 25.980 54.080 1.00 0.00 O +ATOM 2016 N CYS 138 39.630 27.420 53.340 1.00 0.00 N +ATOM 2017 HN CYS 138 40.590 27.638 53.498 1.00 0.00 H +ATOM 2018 CA CYS 138 38.850 28.210 52.470 1.00 0.00 C +ATOM 2019 HA CYS 138 37.854 28.130 52.878 1.00 0.00 H +ATOM 2020 CB CYS 138 39.420 29.650 52.320 1.00 0.00 C +ATOM 2021 HB1 CYS 138 40.492 29.520 52.060 1.00 0.00 H +ATOM 2022 HB2 CYS 138 38.878 30.232 51.546 1.00 0.00 H +ATOM 2023 SG CYS 138 39.180 30.430 53.950 1.00 0.00 S +ATOM 2024 C CYS 138 38.890 27.620 51.100 1.00 0.00 C +ATOM 2025 O CYS 138 37.970 27.810 50.270 1.00 0.00 O +ATOM 2026 N GLU 139 39.960 26.760 50.880 1.00 0.00 N +ATOM 2027 HN GLU 139 40.670 26.530 51.540 1.00 0.00 H +ATOM 2028 CA GLU 139 40.170 26.180 49.590 1.00 0.00 C +ATOM 2029 HA GLU 139 39.822 26.918 48.882 1.00 0.00 H +ATOM 2030 CB GLU 139 41.700 25.940 49.350 1.00 0.00 C +ATOM 2031 HB1 GLU 139 41.910 25.690 48.288 1.00 0.00 H +ATOM 2032 HB2 GLU 139 42.180 26.932 49.490 1.00 0.00 H +ATOM 2033 CG GLU 139 42.510 24.890 50.190 1.00 0.00 C +ATOM 2034 HG1 GLU 139 42.110 23.878 49.970 1.00 0.00 H +ATOM 2035 HG2 GLU 139 43.538 24.900 49.770 1.00 0.00 H +ATOM 2036 CD GLU 139 42.570 25.170 51.650 1.00 0.00 C +ATOM 2037 OE1 GLU 139 42.440 26.380 51.990 1.00 0.00 O +ATOM 2038 OE2 GLU 139 42.640 24.240 52.480 1.00 0.00 O +ATOM 2039 C GLU 139 39.360 24.980 49.430 1.00 0.00 C +ATOM 2040 O GLU 139 39.140 24.230 50.410 1.00 0.00 O +ATOM 2041 N THR 140 38.960 24.690 48.230 1.00 0.00 N +ATOM 2042 HN THR 140 39.180 25.248 47.432 1.00 0.00 H +ATOM 2043 CA THR 140 38.040 23.590 47.900 1.00 0.00 C +ATOM 2044 HA THR 140 37.702 23.042 48.768 1.00 0.00 H +ATOM 2045 CB THR 140 36.640 24.120 47.390 1.00 0.00 C +ATOM 2046 HB THR 140 35.980 23.262 47.140 1.00 0.00 H +ATOM 2047 OG1 THR 140 36.740 24.940 46.190 1.00 0.00 O +ATOM 2048 HG1 THR 140 35.906 24.890 45.718 1.00 0.00 H +ATOM 2049 CG2 THR 140 35.940 24.780 48.560 1.00 0.00 C +ATOM 2050 1HG2 THR 140 36.422 25.662 49.032 1.00 0.00 H +ATOM 2051 2HG2 THR 140 34.896 25.082 48.330 1.00 0.00 H +ATOM 2052 3HG2 THR 140 35.790 23.952 49.288 1.00 0.00 H +ATOM 2053 C THR 140 38.570 22.700 46.830 1.00 0.00 C +ATOM 2054 O THR 140 38.320 21.490 46.770 1.00 0.00 O +ATOM 2055 N THR 141 39.570 23.220 46.160 1.00 0.00 N +ATOM 2056 HN THR 141 39.780 24.192 46.240 1.00 0.00 H +ATOM 2057 CA THR 141 40.280 22.470 45.110 1.00 0.00 C +ATOM 2058 HA THR 141 40.480 21.490 45.520 1.00 0.00 H +ATOM 2059 CB THR 141 39.560 22.250 43.690 1.00 0.00 C +ATOM 2060 HB THR 141 39.932 22.774 42.784 1.00 0.00 H +ATOM 2061 OG1 THR 141 38.170 22.500 43.640 1.00 0.00 O +ATOM 2062 HG1 THR 141 38.040 23.444 43.520 1.00 0.00 H +ATOM 2063 CG2 THR 141 39.690 20.750 43.390 1.00 0.00 C +ATOM 2064 1HG2 THR 141 39.500 20.182 44.326 1.00 0.00 H +ATOM 2065 2HG2 THR 141 39.028 20.430 42.558 1.00 0.00 H +ATOM 2066 3HG2 THR 141 40.708 20.490 43.030 1.00 0.00 H +ATOM 2067 C THR 141 41.550 23.050 44.770 1.00 0.00 C +ATOM 2068 O THR 141 41.930 24.020 45.410 1.00 0.00 O +ATOM 2069 N GLY 142 42.310 22.460 43.800 1.00 0.00 N +ATOM 2070 HN GLY 142 41.990 21.672 43.280 1.00 0.00 H +ATOM 2071 CA GLY 142 43.570 22.980 43.370 1.00 0.00 C +ATOM 2072 HA1 GLY 142 43.460 23.512 42.436 1.00 0.00 H +ATOM 2073 HA2 GLY 142 44.092 23.512 44.152 1.00 0.00 H +ATOM 2074 C GLY 142 44.490 21.860 43.020 1.00 0.00 C +ATOM 2075 O GLY 142 44.150 20.640 42.970 1.00 0.00 O +ATOM 2076 N ARG 143 45.750 22.180 42.750 1.00 0.00 N +ATOM 2077 HN ARG 143 46.164 23.086 42.750 1.00 0.00 H +ATOM 2078 CA ARG 143 46.840 21.240 42.500 1.00 0.00 C +ATOM 2079 HA ARG 143 46.620 20.204 42.710 1.00 0.00 H +ATOM 2080 CB ARG 143 47.200 21.160 41.070 1.00 0.00 C +ATOM 2081 HB1 ARG 143 46.296 20.828 40.518 1.00 0.00 H +ATOM 2082 HB2 ARG 143 47.520 22.152 40.688 1.00 0.00 H +ATOM 2083 CG ARG 143 48.330 20.220 40.750 1.00 0.00 C +ATOM 2084 HG1 ARG 143 48.130 19.252 41.258 1.00 0.00 H +ATOM 2085 HG2 ARG 143 48.240 19.990 39.668 1.00 0.00 H +ATOM 2086 CD ARG 143 49.720 20.710 40.920 1.00 0.00 C +ATOM 2087 HD1 ARG 143 50.452 20.570 40.098 1.00 0.00 H +ATOM 2088 HD2 ARG 143 49.720 21.804 41.110 1.00 0.00 H +ATOM 2089 NE ARG 143 50.350 20.060 42.130 1.00 0.00 N +ATOM 2090 HE ARG 143 49.930 19.230 42.500 1.00 0.00 H +ATOM 2091 CZ ARG 143 51.320 20.560 42.890 1.00 0.00 C +ATOM 2092 NH1 ARG 143 52.070 21.530 42.380 1.00 0.00 N +ATOM 2093 1HH1 ARG 143 51.970 21.990 41.498 1.00 0.00 H +ATOM 2094 2HH1 ARG 143 52.898 21.650 42.928 1.00 0.00 H +ATOM 2095 NH2 ARG 143 51.490 20.010 44.010 1.00 0.00 N +ATOM 2096 1HH2 ARG 143 51.200 19.062 44.140 1.00 0.00 H +ATOM 2097 2HH2 ARG 143 52.302 20.310 44.510 1.00 0.00 H +ATOM 2098 C ARG 143 47.870 21.650 43.450 1.00 0.00 C +ATOM 2099 O ARG 143 48.630 22.560 43.250 1.00 0.00 O +ATOM 2100 N VAL 144 47.830 21.040 44.640 1.00 0.00 N +ATOM 2101 HN VAL 144 47.018 20.528 44.910 1.00 0.00 H +ATOM 2102 CA VAL 144 48.770 21.250 45.750 1.00 0.00 C +ATOM 2103 HA VAL 144 49.720 21.440 45.270 1.00 0.00 H +ATOM 2104 CB VAL 144 48.420 22.360 46.770 1.00 0.00 C +ATOM 2105 HB VAL 144 48.922 22.240 47.754 1.00 0.00 H +ATOM 2106 CG1 VAL 144 48.940 23.760 46.210 1.00 0.00 C +ATOM 2107 1HG1 VAL 144 48.538 23.920 45.186 1.00 0.00 H +ATOM 2108 2HG1 VAL 144 48.770 24.688 46.798 1.00 0.00 H +ATOM 2109 3HG1 VAL 144 50.044 23.640 46.160 1.00 0.00 H +ATOM 2110 CG2 VAL 144 46.890 22.360 47.140 1.00 0.00 C +ATOM 2111 1HG2 VAL 144 46.650 23.190 47.840 1.00 0.00 H +ATOM 2112 2HG2 VAL 144 46.238 22.470 46.248 1.00 0.00 H +ATOM 2113 3HG2 VAL 144 46.512 21.394 47.538 1.00 0.00 H +ATOM 2114 C VAL 144 48.820 19.930 46.440 1.00 0.00 C +ATOM 2115 O VAL 144 47.810 19.210 46.450 1.00 0.00 O +ATOM 2116 N TYR 145 49.880 19.510 47.120 1.00 0.00 N +ATOM 2117 HN TYR 145 50.682 20.100 47.170 1.00 0.00 H +ATOM 2118 CA TYR 145 50.130 18.110 47.530 1.00 0.00 C +ATOM 2119 HA TYR 145 50.130 17.510 46.632 1.00 0.00 H +ATOM 2120 CB TYR 145 51.560 17.890 48.040 1.00 0.00 C +ATOM 2121 HB1 TYR 145 51.800 16.844 48.328 1.00 0.00 H +ATOM 2122 HB2 TYR 145 52.244 18.272 47.254 1.00 0.00 H +ATOM 2123 CG TYR 145 51.800 18.710 49.280 1.00 0.00 C +ATOM 2124 CD1 TYR 145 51.520 18.170 50.520 1.00 0.00 C +ATOM 2125 HD1 TYR 145 51.040 17.202 50.530 1.00 0.00 H +ATOM 2126 CE1 TYR 145 51.650 18.910 51.730 1.00 0.00 C +ATOM 2127 HE1 TYR 145 51.220 18.382 52.568 1.00 0.00 H +ATOM 2128 CZ TYR 145 52.170 20.240 51.640 1.00 0.00 C +ATOM 2129 OH TYR 145 52.300 21.010 52.810 1.00 0.00 O +ATOM 2130 HH TYR 145 52.240 20.458 53.592 1.00 0.00 H +ATOM 2131 CD2 TYR 145 52.390 19.970 49.210 1.00 0.00 C +ATOM 2132 HD2 TYR 145 52.750 20.270 48.238 1.00 0.00 H +ATOM 2133 CE2 TYR 145 52.510 20.780 50.370 1.00 0.00 C +ATOM 2134 HE2 TYR 145 52.908 21.776 50.250 1.00 0.00 H +ATOM 2135 C TYR 145 49.110 17.500 48.550 1.00 0.00 C +ATOM 2136 O TYR 145 48.660 16.360 48.460 1.00 0.00 O +ATOM 2137 N TRP 146 48.530 18.370 49.410 1.00 0.00 N +ATOM 2138 HN TRP 146 48.832 19.318 49.470 1.00 0.00 H +ATOM 2139 CA TRP 146 47.520 18.010 50.330 1.00 0.00 C +ATOM 2140 HA TRP 146 47.780 17.082 50.818 1.00 0.00 H +ATOM 2141 CB TRP 146 47.360 19.010 51.520 1.00 0.00 C +ATOM 2142 HB1 TRP 146 46.770 18.500 52.310 1.00 0.00 H +ATOM 2143 HB2 TRP 146 48.382 19.200 51.910 1.00 0.00 H +ATOM 2144 CG TRP 146 46.850 20.370 51.240 1.00 0.00 C +ATOM 2145 CD1 TRP 146 45.480 20.620 51.150 1.00 0.00 C +ATOM 2146 HD1 TRP 146 44.738 19.838 51.220 1.00 0.00 H +ATOM 2147 NE1 TRP 146 45.290 21.960 50.920 1.00 0.00 N +ATOM 2148 HE1 TRP 146 44.410 22.380 50.900 1.00 0.00 H +ATOM 2149 CE2 TRP 146 46.490 22.570 50.840 1.00 0.00 C +ATOM 2150 CD2 TRP 146 47.540 21.580 51.010 1.00 0.00 C +ATOM 2151 CE3 TRP 146 48.890 21.920 50.840 1.00 0.00 C +ATOM 2152 HE3 TRP 146 49.700 21.240 51.060 1.00 0.00 H +ATOM 2153 CZ3 TRP 146 49.230 23.250 50.450 1.00 0.00 C +ATOM 2154 HZ3 TRP 146 50.264 23.530 50.310 1.00 0.00 H +ATOM 2155 CZ2 TRP 146 46.840 23.850 50.550 1.00 0.00 C +ATOM 2156 HZ2 TRP 146 46.006 24.524 50.420 1.00 0.00 H +ATOM 2157 CH2 TRP 146 48.210 24.220 50.350 1.00 0.00 C +ATOM 2158 HH2 TRP 146 48.560 25.240 50.280 1.00 0.00 H +ATOM 2159 C TRP 146 46.160 17.810 49.720 1.00 0.00 C +ATOM 2160 O TRP 146 45.190 17.480 50.390 1.00 0.00 O +ATOM 2161 N LYS 147 45.910 18.100 48.430 1.00 0.00 N +ATOM 2162 HN LYS 147 46.700 18.360 47.880 1.00 0.00 H +ATOM 2163 CA LYS 147 44.620 17.870 47.660 1.00 0.00 C +ATOM 2164 HA LYS 147 44.650 18.514 46.794 1.00 0.00 H +ATOM 2165 CB LYS 147 44.720 16.470 47.080 1.00 0.00 C +ATOM 2166 HB1 LYS 147 45.000 15.782 47.908 1.00 0.00 H +ATOM 2167 HB2 LYS 147 43.754 16.072 46.702 1.00 0.00 H +ATOM 2168 CG LYS 147 45.790 16.310 46.020 1.00 0.00 C +ATOM 2169 HG1 LYS 147 46.774 16.642 46.412 1.00 0.00 H +ATOM 2170 HG2 LYS 147 45.820 15.236 45.732 1.00 0.00 H +ATOM 2171 CD LYS 147 45.590 17.090 44.670 1.00 0.00 C +ATOM 2172 HD1 LYS 147 45.740 18.138 45.010 1.00 0.00 H +ATOM 2173 HD2 LYS 147 46.466 16.838 44.036 1.00 0.00 H +ATOM 2174 CE LYS 147 44.350 16.940 43.880 1.00 0.00 C +ATOM 2175 HE1 LYS 147 44.280 15.882 43.550 1.00 0.00 H +ATOM 2176 HE2 LYS 147 43.472 17.120 44.538 1.00 0.00 H +ATOM 2177 NZ LYS 147 44.090 17.790 42.740 1.00 0.00 N +ATOM 2178 HZ1 LYS 147 43.234 17.630 42.172 1.00 0.00 H +ATOM 2179 HZ2 LYS 147 43.890 18.780 42.990 1.00 0.00 H +ATOM 2180 HZ3 LYS 147 44.926 17.660 42.136 1.00 0.00 H +ATOM 2181 C LYS 147 43.300 18.220 48.360 1.00 0.00 C +ATOM 2182 O LYS 147 42.610 17.290 48.820 1.00 0.00 O +ATOM 2183 N PRO 148 42.920 19.490 48.550 1.00 0.00 N +ATOM 2184 CD PRO 148 43.460 20.700 47.850 1.00 0.00 C +ATOM 2185 HD1 PRO 148 43.440 20.520 46.754 1.00 0.00 H +ATOM 2186 HD2 PRO 148 44.474 21.012 48.182 1.00 0.00 H +ATOM 2187 CA PRO 148 41.680 19.780 49.210 1.00 0.00 C +ATOM 2188 HA PRO 148 41.690 19.242 50.146 1.00 0.00 H +ATOM 2189 CB PRO 148 41.640 21.360 49.370 1.00 0.00 C +ATOM 2190 HB1 PRO 148 40.618 21.760 49.200 1.00 0.00 H +ATOM 2191 HB2 PRO 148 42.148 21.670 50.308 1.00 0.00 H +ATOM 2192 CG PRO 148 42.440 21.870 48.140 1.00 0.00 C +ATOM 2193 HG1 PRO 148 41.718 21.820 47.298 1.00 0.00 H +ATOM 2194 HG2 PRO 148 42.868 22.868 48.380 1.00 0.00 H +ATOM 2195 C PRO 148 40.530 19.320 48.370 1.00 0.00 C +ATOM 2196 O PRO 148 40.700 19.060 47.170 1.00 0.00 O +ATOM 2197 N SER 149 39.350 19.160 48.970 1.00 0.00 N +ATOM 2198 HN SER 149 39.270 19.358 49.944 1.00 0.00 H +ATOM 2199 CA SER 149 38.140 18.770 48.220 1.00 0.00 C +ATOM 2200 HA SER 149 38.130 19.160 47.212 1.00 0.00 H +ATOM 2201 CB SER 149 38.090 17.150 48.090 1.00 0.00 C +ATOM 2202 HB1 SER 149 37.180 16.830 47.540 1.00 0.00 H +ATOM 2203 HB2 SER 149 39.010 17.020 47.480 1.00 0.00 H +ATOM 2204 OG SER 149 38.270 16.420 49.330 1.00 0.00 O +ATOM 2205 HG1 SER 149 37.498 16.520 49.892 1.00 0.00 H +ATOM 2206 C SER 149 36.890 19.180 49.000 1.00 0.00 C +ATOM 2207 O SER 149 36.930 19.620 50.150 1.00 0.00 O +ATOM 2208 N SER 150 35.760 19.290 48.200 1.00 0.00 N +ATOM 2209 HN SER 150 35.870 19.200 47.212 1.00 0.00 H +ATOM 2210 CA SER 150 34.490 19.670 48.700 1.00 0.00 C +ATOM 2211 HA SER 150 34.400 19.600 49.774 1.00 0.00 H +ATOM 2212 CB SER 150 34.190 21.120 48.250 1.00 0.00 C +ATOM 2213 HB1 SER 150 34.930 21.800 48.720 1.00 0.00 H +ATOM 2214 HB2 SER 150 34.280 21.462 47.196 1.00 0.00 H +ATOM 2215 OG SER 150 32.940 21.500 48.770 1.00 0.00 O +ATOM 2216 HG1 SER 150 33.138 21.888 49.626 1.00 0.00 H +ATOM 2217 C SER 150 33.470 18.740 48.100 1.00 0.00 C +ATOM 2218 O SER 150 33.620 18.150 47.010 1.00 0.00 O +ATOM 2219 N SER 151 32.340 18.610 48.790 1.00 0.00 N +ATOM 2220 HN SER 151 32.240 19.162 49.614 1.00 0.00 H +ATOM 2221 CA SER 151 31.110 17.880 48.490 1.00 0.00 C +ATOM 2222 HA SER 151 31.278 17.226 47.646 1.00 0.00 H +ATOM 2223 CB SER 151 30.600 17.000 49.750 1.00 0.00 C +ATOM 2224 HB1 SER 151 29.748 16.358 49.440 1.00 0.00 H +ATOM 2225 HB2 SER 151 31.380 16.230 49.930 1.00 0.00 H +ATOM 2226 OG SER 151 30.420 17.740 50.960 1.00 0.00 O +ATOM 2227 HG1 SER 151 31.246 17.910 51.418 1.00 0.00 H +ATOM 2228 C SER 151 30.050 18.830 47.940 1.00 0.00 C +ATOM 2229 O SER 151 29.150 18.370 47.240 1.00 0.00 O +ATOM 2230 N TRP 152 30.110 20.130 48.140 1.00 0.00 N +ATOM 2231 HN TRP 152 30.928 20.518 48.558 1.00 0.00 H +ATOM 2232 CA TRP 152 29.070 21.170 47.740 1.00 0.00 C +ATOM 2233 HA TRP 152 28.242 20.590 47.360 1.00 0.00 H +ATOM 2234 CB TRP 152 28.640 21.750 49.140 1.00 0.00 C +ATOM 2235 HB1 TRP 152 27.658 22.270 49.130 1.00 0.00 H +ATOM 2236 HB2 TRP 152 28.440 20.884 49.808 1.00 0.00 H +ATOM 2237 CG TRP 152 29.660 22.640 49.790 1.00 0.00 C +ATOM 2238 CD1 TRP 152 30.480 22.230 50.880 1.00 0.00 C +ATOM 2239 HD1 TRP 152 30.118 21.496 51.584 1.00 0.00 H +ATOM 2240 NE1 TRP 152 31.440 23.150 51.110 1.00 0.00 N +ATOM 2241 HE1 TRP 152 31.878 23.310 51.968 1.00 0.00 H +ATOM 2242 CE2 TRP 152 31.160 24.250 50.310 1.00 0.00 C +ATOM 2243 CD2 TRP 152 30.070 23.960 49.460 1.00 0.00 C +ATOM 2244 CE3 TRP 152 29.660 24.910 48.480 1.00 0.00 C +ATOM 2245 HE3 TRP 152 28.876 24.670 47.778 1.00 0.00 H +ATOM 2246 CZ3 TRP 152 30.280 26.090 48.480 1.00 0.00 C +ATOM 2247 HZ3 TRP 152 29.942 26.836 47.774 1.00 0.00 H +ATOM 2248 CZ2 TRP 152 31.830 25.460 50.240 1.00 0.00 C +ATOM 2249 HZ2 TRP 152 32.668 25.670 50.888 1.00 0.00 H +ATOM 2250 CH2 TRP 152 31.270 26.390 49.390 1.00 0.00 C +ATOM 2251 HH2 TRP 152 31.732 27.362 49.310 1.00 0.00 H +ATOM 2252 C TRP 152 29.590 22.130 46.680 1.00 0.00 C +ATOM 2253 O TRP 152 28.870 22.630 45.770 1.00 0.00 O +ATOM 2254 N ASP 153 30.920 22.490 46.580 1.00 0.00 N +ATOM 2255 HN ASP 153 31.610 22.040 47.140 1.00 0.00 H +ATOM 2256 CA ASP 153 31.380 23.430 45.530 1.00 0.00 C +ATOM 2257 HA ASP 153 30.638 24.214 45.550 1.00 0.00 H +ATOM 2258 CB ASP 153 32.840 23.940 45.930 1.00 0.00 C +ATOM 2259 HB1 ASP 153 32.688 24.354 46.950 1.00 0.00 H +ATOM 2260 HB2 ASP 153 33.542 23.078 45.950 1.00 0.00 H +ATOM 2261 CG ASP 153 33.420 24.910 44.970 1.00 0.00 C +ATOM 2262 OD1 ASP 153 32.650 25.730 44.480 1.00 0.00 O +ATOM 2263 OD2 ASP 153 34.640 24.850 44.720 1.00 0.00 O +ATOM 2264 C ASP 153 31.350 22.790 44.100 1.00 0.00 C +ATOM 2265 O ASP 153 31.290 21.580 43.950 1.00 0.00 O +ATOM 2266 N TYR 154 31.220 23.600 43.010 1.00 0.00 N +ATOM 2267 HN TYR 154 31.350 24.562 43.240 1.00 0.00 H +ATOM 2268 CA TYR 154 30.670 23.170 41.690 1.00 0.00 C +ATOM 2269 HA TYR 154 30.082 22.272 41.810 1.00 0.00 H +ATOM 2270 CB TYR 154 29.820 24.300 41.040 1.00 0.00 C +ATOM 2271 HB1 TYR 154 30.448 25.068 40.542 1.00 0.00 H +ATOM 2272 HB2 TYR 154 29.260 23.890 40.172 1.00 0.00 H +ATOM 2273 CG TYR 154 28.790 24.970 41.970 1.00 0.00 C +ATOM 2274 CD1 TYR 154 28.060 24.200 42.920 1.00 0.00 C +ATOM 2275 HD1 TYR 154 28.270 23.162 43.130 1.00 0.00 H +ATOM 2276 CE1 TYR 154 27.110 24.760 43.720 1.00 0.00 C +ATOM 2277 HE1 TYR 154 26.660 24.050 44.400 1.00 0.00 H +ATOM 2278 CZ TYR 154 26.730 26.120 43.630 1.00 0.00 C +ATOM 2279 OH TYR 154 25.850 26.560 44.570 1.00 0.00 O +ATOM 2280 HH TYR 154 25.740 27.496 44.390 1.00 0.00 H +ATOM 2281 CD2 TYR 154 28.440 26.370 41.880 1.00 0.00 C +ATOM 2282 HD2 TYR 154 28.852 27.002 41.108 1.00 0.00 H +ATOM 2283 CE2 TYR 154 27.390 26.920 42.700 1.00 0.00 C +ATOM 2284 HE2 TYR 154 27.340 27.998 42.700 1.00 0.00 H +ATOM 2285 C TYR 154 31.770 22.920 40.690 1.00 0.00 C +ATOM 2286 O TYR 154 31.490 22.410 39.620 1.00 0.00 O +ATOM 2287 N ILE 155 33.060 23.020 41.060 1.00 0.00 N +ATOM 2288 HN ILE 155 33.270 23.412 41.952 1.00 0.00 H +ATOM 2289 CA ILE 155 34.060 22.520 40.150 1.00 0.00 C +ATOM 2290 HA ILE 155 33.580 21.920 39.390 1.00 0.00 H +ATOM 2291 CB ILE 155 34.710 23.710 39.390 1.00 0.00 C +ATOM 2292 HB ILE 155 35.466 23.242 38.724 1.00 0.00 H +ATOM 2293 CG2 ILE 155 33.750 24.290 38.360 1.00 0.00 C +ATOM 2294 1HG2 ILE 155 33.400 23.602 37.562 1.00 0.00 H +ATOM 2295 2HG2 ILE 155 32.882 24.738 38.888 1.00 0.00 H +ATOM 2296 3HG2 ILE 155 34.280 25.122 37.850 1.00 0.00 H +ATOM 2297 CG1 ILE 155 35.270 24.850 40.390 1.00 0.00 C +ATOM 2298 1HG1 ILE 155 34.446 25.212 41.042 1.00 0.00 H +ATOM 2299 2HG1 ILE 155 35.984 24.296 41.034 1.00 0.00 H +ATOM 2300 CD ILE 155 35.980 26.000 39.630 1.00 0.00 C +ATOM 2301 HD1 ILE 155 36.632 26.492 40.382 1.00 0.00 H +ATOM 2302 HD2 ILE 155 36.440 25.440 38.788 1.00 0.00 H +ATOM 2303 HD3 ILE 155 35.302 26.778 39.220 1.00 0.00 H +ATOM 2304 C ILE 155 35.120 21.790 40.930 1.00 0.00 C +ATOM 2305 O ILE 155 35.170 21.770 42.130 1.00 0.00 O +ATOM 2306 N THR 156 35.960 20.990 40.180 1.00 0.00 N +ATOM 2307 HN THR 156 35.562 20.730 39.304 1.00 0.00 H +ATOM 2308 CA THR 156 37.290 20.470 40.530 1.00 0.00 C +ATOM 2309 HA THR 156 37.510 20.918 41.488 1.00 0.00 H +ATOM 2310 CB THR 156 37.510 19.030 40.480 1.00 0.00 C +ATOM 2311 HB THR 156 38.542 18.670 40.280 1.00 0.00 H +ATOM 2312 OG1 THR 156 36.780 18.350 39.470 1.00 0.00 O +ATOM 2313 HG1 THR 156 37.360 18.430 38.710 1.00 0.00 H +ATOM 2314 CG2 THR 156 37.030 18.380 41.830 1.00 0.00 C +ATOM 2315 1HG2 THR 156 36.770 17.312 41.670 1.00 0.00 H +ATOM 2316 2HG2 THR 156 37.808 18.480 42.618 1.00 0.00 H +ATOM 2317 3HG2 THR 156 36.084 18.848 42.178 1.00 0.00 H +ATOM 2318 C THR 156 38.280 21.080 39.480 1.00 0.00 C +ATOM 2319 O THR 156 37.900 21.230 38.360 1.00 0.00 O +ATOM 2320 N VAL 157 39.480 21.500 39.950 1.00 0.00 N +ATOM 2321 HN VAL 157 39.630 21.400 40.930 1.00 0.00 H +ATOM 2322 CA VAL 157 40.410 22.250 39.100 1.00 0.00 C +ATOM 2323 HA VAL 157 40.108 22.200 38.064 1.00 0.00 H +ATOM 2324 CB VAL 157 40.600 23.750 39.530 1.00 0.00 C +ATOM 2325 HB VAL 157 41.100 23.750 40.522 1.00 0.00 H +ATOM 2326 CG1 VAL 157 41.480 24.590 38.590 1.00 0.00 C +ATOM 2327 1HG1 VAL 157 40.892 24.888 37.694 1.00 0.00 H +ATOM 2328 2HG1 VAL 157 41.890 25.532 39.010 1.00 0.00 H +ATOM 2329 3HG1 VAL 157 42.390 24.060 38.240 1.00 0.00 H +ATOM 2330 CG2 VAL 157 39.220 24.420 39.700 1.00 0.00 C +ATOM 2331 1HG2 VAL 157 39.390 25.508 39.850 1.00 0.00 H +ATOM 2332 2HG2 VAL 157 38.710 24.290 38.722 1.00 0.00 H +ATOM 2333 3HG2 VAL 157 38.718 23.816 40.484 1.00 0.00 H +ATOM 2334 C VAL 157 41.740 21.530 39.160 1.00 0.00 C +ATOM 2335 O VAL 157 42.220 21.080 40.220 1.00 0.00 O +ATOM 2336 N ASP 158 42.430 21.260 38.000 1.00 0.00 N +ATOM 2337 HN ASP 158 42.018 21.470 37.116 1.00 0.00 H +ATOM 2338 CA ASP 158 43.750 20.670 37.910 1.00 0.00 C +ATOM 2339 HA ASP 158 44.302 20.952 38.794 1.00 0.00 H +ATOM 2340 CB ASP 158 43.600 19.110 37.750 1.00 0.00 C +ATOM 2341 HB1 ASP 158 42.654 18.626 38.072 1.00 0.00 H +ATOM 2342 HB2 ASP 158 43.530 18.920 36.658 1.00 0.00 H +ATOM 2343 CG ASP 158 44.760 18.270 38.210 1.00 0.00 C +ATOM 2344 OD1 ASP 158 45.900 18.760 38.250 1.00 0.00 O +ATOM 2345 OD2 ASP 158 44.530 17.050 38.410 1.00 0.00 O +ATOM 2346 C ASP 158 44.510 21.320 36.730 1.00 0.00 C +ATOM 2347 O ASP 158 43.890 21.980 35.880 1.00 0.00 O +ATOM 2348 N ASN 159 45.840 21.110 36.610 1.00 0.00 N +ATOM 2349 HN ASN 159 46.282 20.598 37.342 1.00 0.00 H +ATOM 2350 CA ASN 159 46.550 21.340 35.340 1.00 0.00 C +ATOM 2351 HA ASN 159 46.330 22.382 35.160 1.00 0.00 H +ATOM 2352 CB ASN 159 48.110 21.070 35.470 1.00 0.00 C +ATOM 2353 HB1 ASN 159 48.332 20.004 35.692 1.00 0.00 H +ATOM 2354 HB2 ASN 159 48.492 21.270 34.446 1.00 0.00 H +ATOM 2355 CG ASN 159 48.810 22.010 36.390 1.00 0.00 C +ATOM 2356 OD1 ASN 159 48.510 23.160 36.470 1.00 0.00 O +ATOM 2357 ND2 ASN 159 49.790 21.550 37.150 1.00 0.00 N +ATOM 2358 1HD2 ASN 159 50.352 20.768 36.880 1.00 0.00 H +ATOM 2359 2HD2 ASN 159 50.180 22.170 37.830 1.00 0.00 H +ATOM 2360 C ASN 159 46.070 20.450 34.150 1.00 0.00 C +ATOM 2361 O ASN 159 45.790 19.270 34.250 1.00 0.00 O +ATOM 2362 N ASN 160 45.760 21.070 33.000 1.00 0.00 N +ATOM 2363 HN ASN 160 45.930 22.040 32.840 1.00 0.00 H +ATOM 2364 CA ASN 160 45.420 20.240 31.780 1.00 0.00 C +ATOM 2365 HA ASN 160 44.740 19.440 32.030 1.00 0.00 H +ATOM 2366 CB ASN 160 44.790 21.100 30.730 1.00 0.00 C +ATOM 2367 HB1 ASN 160 44.044 21.624 31.364 1.00 0.00 H +ATOM 2368 HB2 ASN 160 45.428 21.868 30.242 1.00 0.00 H +ATOM 2369 CG ASN 160 44.100 20.380 29.620 1.00 0.00 C +ATOM 2370 OD1 ASN 160 43.580 19.280 29.820 1.00 0.00 O +ATOM 2371 ND2 ASN 160 44.070 20.930 28.360 1.00 0.00 N +ATOM 2372 1HD2 ASN 160 44.736 21.666 28.240 1.00 0.00 H +ATOM 2373 2HD2 ASN 160 43.728 20.336 27.634 1.00 0.00 H +ATOM 2374 C ASN 160 46.600 19.510 31.190 1.00 0.00 C +ATOM 2375 O ASN 160 46.460 18.280 30.990 1.00 0.00 O +ATOM 2376 N LEU 161 47.770 20.150 31.030 1.00 0.00 N +ATOM 2377 HN LEU 161 47.860 20.958 31.608 1.00 0.00 H +ATOM 2378 CA LEU 161 48.940 19.540 30.410 1.00 0.00 C +ATOM 2379 HA LEU 161 48.720 18.690 29.780 1.00 0.00 H +ATOM 2380 CB LEU 161 49.670 20.710 29.610 1.00 0.00 C +ATOM 2381 HB1 LEU 161 49.780 21.492 30.392 1.00 0.00 H +ATOM 2382 HB2 LEU 161 50.674 20.318 29.340 1.00 0.00 H +ATOM 2383 CG LEU 161 48.860 21.150 28.390 1.00 0.00 C +ATOM 2384 HG LEU 161 47.964 21.568 28.898 1.00 0.00 H +ATOM 2385 CD1 LEU 161 49.560 22.250 27.600 1.00 0.00 C +ATOM 2386 1HD1 LEU 161 49.580 23.128 28.280 1.00 0.00 H +ATOM 2387 2HD1 LEU 161 50.586 21.902 27.352 1.00 0.00 H +ATOM 2388 3HD1 LEU 161 49.032 22.490 26.652 1.00 0.00 H +ATOM 2389 CD2 LEU 161 48.360 19.990 27.510 1.00 0.00 C +ATOM 2390 1HD2 LEU 161 47.768 19.208 28.032 1.00 0.00 H +ATOM 2391 2HD2 LEU 161 47.742 20.338 26.654 1.00 0.00 H +ATOM 2392 3HD2 LEU 161 49.246 19.516 27.036 1.00 0.00 H +ATOM 2393 C LEU 161 49.930 19.050 31.470 1.00 0.00 C +ATOM 2394 O LEU 161 49.750 19.250 32.670 1.00 0.00 O +ATOM 2395 N THR 162 50.970 18.400 31.090 1.00 0.00 N +ATOM 2396 HN THR 162 51.080 18.102 30.144 1.00 0.00 H +ATOM 2397 CA THR 162 52.150 18.010 31.860 1.00 0.00 C +ATOM 2398 HA THR 162 52.010 18.000 32.930 1.00 0.00 H +ATOM 2399 CB THR 162 52.620 16.610 31.560 1.00 0.00 C +ATOM 2400 HB THR 162 53.348 16.320 32.348 1.00 0.00 H +ATOM 2401 OG1 THR 162 53.260 16.480 30.300 1.00 0.00 O +ATOM 2402 HG1 THR 162 53.540 15.568 30.190 1.00 0.00 H +ATOM 2403 CG2 THR 162 51.420 15.690 31.680 1.00 0.00 C +ATOM 2404 1HG2 THR 162 50.852 15.998 32.586 1.00 0.00 H +ATOM 2405 2HG2 THR 162 50.796 15.780 30.766 1.00 0.00 H +ATOM 2406 3HG2 THR 162 51.590 14.594 31.730 1.00 0.00 H +ATOM 2407 C THR 162 53.260 18.960 31.530 1.00 0.00 C +ATOM 2408 O THR 162 53.300 19.490 30.440 1.00 0.00 O +ATOM 2409 N THR 163 54.230 19.140 32.370 1.00 0.00 N +ATOM 2410 HN THR 163 54.150 18.720 33.270 1.00 0.00 H +ATOM 2411 CA THR 163 55.390 20.060 32.110 1.00 0.00 C +ATOM 2412 HA THR 163 55.010 21.070 32.110 1.00 0.00 H +ATOM 2413 CB THR 163 56.560 20.070 33.120 1.00 0.00 C +ATOM 2414 HB THR 163 57.490 20.640 32.910 1.00 0.00 H +ATOM 2415 OG1 THR 163 56.870 18.720 33.540 1.00 0.00 O +ATOM 2416 HG1 THR 163 57.768 18.800 33.870 1.00 0.00 H +ATOM 2417 CG2 THR 163 56.020 20.620 34.360 1.00 0.00 C +ATOM 2418 1HG2 THR 163 56.712 20.520 35.222 1.00 0.00 H +ATOM 2419 2HG2 THR 163 55.840 21.712 34.270 1.00 0.00 H +ATOM 2420 3HG2 THR 163 55.088 20.078 34.630 1.00 0.00 H +ATOM 2421 C THR 163 56.080 19.820 30.790 1.00 0.00 C +ATOM 2422 O THR 163 56.450 20.750 30.080 1.00 0.00 O +ATOM 2423 N SER 164 56.320 18.570 30.450 1.00 0.00 N +ATOM 2424 HN SER 164 56.030 17.838 31.062 1.00 0.00 H +ATOM 2425 CA SER 164 56.870 18.170 29.180 1.00 0.00 C +ATOM 2426 HA SER 164 57.814 18.692 29.140 1.00 0.00 H +ATOM 2427 CB SER 164 57.520 16.750 29.190 1.00 0.00 C +ATOM 2428 HB1 SER 164 58.090 16.470 28.278 1.00 0.00 H +ATOM 2429 HB2 SER 164 58.380 16.800 29.890 1.00 0.00 H +ATOM 2430 OG SER 164 56.570 15.780 29.620 1.00 0.00 O +ATOM 2431 HG1 SER 164 55.864 15.690 28.974 1.00 0.00 H +ATOM 2432 C SER 164 56.080 18.600 27.920 1.00 0.00 C +ATOM 2433 O SER 164 56.570 19.070 26.880 1.00 0.00 O +ATOM 2434 N GLN 165 54.740 18.460 28.000 1.00 0.00 N +ATOM 2435 HN GLN 165 54.320 18.060 28.810 1.00 0.00 H +ATOM 2436 CA GLN 165 53.850 19.010 27.040 1.00 0.00 C +ATOM 2437 HA GLN 165 54.142 18.708 26.046 1.00 0.00 H +ATOM 2438 CB GLN 165 52.380 18.520 27.310 1.00 0.00 C +ATOM 2439 HB1 GLN 165 52.290 18.690 28.404 1.00 0.00 H +ATOM 2440 HB2 GLN 165 51.662 19.138 26.730 1.00 0.00 H +ATOM 2441 CG GLN 165 52.140 16.970 27.080 1.00 0.00 C +ATOM 2442 HG1 GLN 165 52.010 16.850 25.982 1.00 0.00 H +ATOM 2443 HG2 GLN 165 53.048 16.402 27.380 1.00 0.00 H +ATOM 2444 CD GLN 165 50.880 16.520 27.800 1.00 0.00 C +ATOM 2445 OE1 GLN 165 50.200 17.310 28.440 1.00 0.00 O +ATOM 2446 NE2 GLN 165 50.480 15.230 27.620 1.00 0.00 N +ATOM 2447 1HE2 GLN 165 51.114 14.546 27.258 1.00 0.00 H +ATOM 2448 2HE2 GLN 165 49.758 14.908 28.232 1.00 0.00 H +ATOM 2449 C GLN 165 54.000 20.560 27.000 1.00 0.00 C +ATOM 2450 O GLN 165 54.120 21.090 25.910 1.00 0.00 O +ATOM 2451 N ALA 166 53.900 21.210 28.120 1.00 0.00 N +ATOM 2452 HN ALA 166 53.790 20.788 29.016 1.00 0.00 H +ATOM 2453 CA ALA 166 53.780 22.720 28.100 1.00 0.00 C +ATOM 2454 HA ALA 166 52.964 23.068 27.484 1.00 0.00 H +ATOM 2455 CB ALA 166 53.620 23.270 29.470 1.00 0.00 C +ATOM 2456 HB1 ALA 166 54.270 22.820 30.250 1.00 0.00 H +ATOM 2457 HB2 ALA 166 53.710 24.374 29.370 1.00 0.00 H +ATOM 2458 HB3 ALA 166 52.606 23.060 29.872 1.00 0.00 H +ATOM 2459 C ALA 166 55.030 23.400 27.610 1.00 0.00 C +ATOM 2460 O ALA 166 54.920 24.420 26.920 1.00 0.00 O +ATOM 2461 N VAL 167 56.210 22.900 27.920 1.00 0.00 N +ATOM 2462 HN VAL 167 56.390 22.140 28.540 1.00 0.00 H +ATOM 2463 CA VAL 167 57.420 23.490 27.660 1.00 0.00 C +ATOM 2464 HA VAL 167 57.350 24.472 28.102 1.00 0.00 H +ATOM 2465 CB VAL 167 58.580 22.580 28.120 1.00 0.00 C +ATOM 2466 HB VAL 167 58.440 21.492 27.940 1.00 0.00 H +ATOM 2467 CG1 VAL 167 59.950 22.930 27.470 1.00 0.00 C +ATOM 2468 1HG1 VAL 167 59.950 22.590 26.412 1.00 0.00 H +ATOM 2469 2HG1 VAL 167 60.090 24.022 27.620 1.00 0.00 H +ATOM 2470 3HG1 VAL 167 60.792 22.460 28.022 1.00 0.00 H +ATOM 2471 CG2 VAL 167 58.720 22.860 29.630 1.00 0.00 C +ATOM 2472 1HG2 VAL 167 59.072 23.874 29.920 1.00 0.00 H +ATOM 2473 2HG2 VAL 167 57.726 22.860 30.128 1.00 0.00 H +ATOM 2474 3HG2 VAL 167 59.354 22.094 30.124 1.00 0.00 H +ATOM 2475 C VAL 167 57.660 23.890 26.180 1.00 0.00 C +ATOM 2476 O VAL 167 58.030 25.000 25.870 1.00 0.00 O +ATOM 2477 N GLN 168 57.270 23.050 25.230 1.00 0.00 N +ATOM 2478 HN GLN 168 56.680 22.300 25.520 1.00 0.00 H +ATOM 2479 CA GLN 168 57.450 23.440 23.770 1.00 0.00 C +ATOM 2480 HA GLN 168 58.368 24.000 23.670 1.00 0.00 H +ATOM 2481 CB GLN 168 57.410 22.210 22.730 1.00 0.00 C +ATOM 2482 HB1 GLN 168 58.090 21.430 23.130 1.00 0.00 H +ATOM 2483 HB2 GLN 168 56.362 21.840 22.710 1.00 0.00 H +ATOM 2484 CG GLN 168 57.840 22.650 21.260 1.00 0.00 C +ATOM 2485 HG1 GLN 168 57.790 21.802 20.542 1.00 0.00 H +ATOM 2486 HG2 GLN 168 57.098 23.432 20.990 1.00 0.00 H +ATOM 2487 CD GLN 168 59.220 23.290 21.210 1.00 0.00 C +ATOM 2488 OE1 GLN 168 60.250 22.640 21.550 1.00 0.00 O +ATOM 2489 NE2 GLN 168 59.310 24.570 20.710 1.00 0.00 N +ATOM 2490 1HE2 GLN 168 58.482 25.018 20.372 1.00 0.00 H +ATOM 2491 2HE2 GLN 168 60.176 25.064 20.630 1.00 0.00 H +ATOM 2492 C GLN 168 56.430 24.440 23.330 1.00 0.00 C +ATOM 2493 O GLN 168 56.730 25.320 22.490 1.00 0.00 O +ATOM 2494 N VAL 169 55.130 24.380 23.820 1.00 0.00 N +ATOM 2495 HN VAL 169 54.830 23.688 24.472 1.00 0.00 H +ATOM 2496 CA VAL 169 54.050 25.280 23.600 1.00 0.00 C +ATOM 2497 HA VAL 169 53.872 25.380 22.538 1.00 0.00 H +ATOM 2498 CB VAL 169 52.690 24.740 24.230 1.00 0.00 C +ATOM 2499 HB VAL 169 52.820 24.690 25.332 1.00 0.00 H +ATOM 2500 CG1 VAL 169 51.380 25.590 24.010 1.00 0.00 C +ATOM 2501 1HG1 VAL 169 50.586 25.078 24.592 1.00 0.00 H +ATOM 2502 2HG1 VAL 169 51.578 26.574 24.488 1.00 0.00 H +ATOM 2503 3HG1 VAL 169 51.120 25.560 22.930 1.00 0.00 H +ATOM 2504 CG2 VAL 169 52.470 23.330 23.670 1.00 0.00 C +ATOM 2505 1HG2 VAL 169 52.540 23.410 22.564 1.00 0.00 H +ATOM 2506 2HG2 VAL 169 53.320 22.680 23.970 1.00 0.00 H +ATOM 2507 3HG2 VAL 169 51.518 22.910 24.060 1.00 0.00 H +ATOM 2508 C VAL 169 54.420 26.650 24.060 1.00 0.00 C +ATOM 2509 O VAL 169 54.380 27.670 23.330 1.00 0.00 O +ATOM 2510 N CYS 170 54.990 26.790 25.290 1.00 0.00 N +ATOM 2511 HN CYS 170 54.950 26.014 25.916 1.00 0.00 H +ATOM 2512 CA CYS 170 55.550 28.030 25.820 1.00 0.00 C +ATOM 2513 HA CYS 170 54.762 28.768 25.820 1.00 0.00 H +ATOM 2514 CB CYS 170 56.190 27.790 27.280 1.00 0.00 C +ATOM 2515 HB1 CYS 170 56.896 26.934 27.230 1.00 0.00 H +ATOM 2516 HB2 CYS 170 56.740 28.738 27.460 1.00 0.00 H +ATOM 2517 SG CYS 170 55.100 27.320 28.690 1.00 0.00 S +ATOM 2518 C CYS 170 56.680 28.570 24.920 1.00 0.00 C +ATOM 2519 O CYS 170 56.620 29.750 24.650 1.00 0.00 O +ATOM 2520 N LYS 171 57.550 27.590 24.430 1.00 0.00 N +ATOM 2521 HN LYS 171 57.440 26.640 24.710 1.00 0.00 H +ATOM 2522 CA LYS 171 58.680 28.030 23.570 1.00 0.00 C +ATOM 2523 HA LYS 171 59.018 28.916 24.088 1.00 0.00 H +ATOM 2524 CB LYS 171 59.830 26.980 23.680 1.00 0.00 C +ATOM 2525 HB1 LYS 171 59.490 25.942 23.470 1.00 0.00 H +ATOM 2526 HB2 LYS 171 60.648 27.260 22.982 1.00 0.00 H +ATOM 2527 CG LYS 171 60.440 26.870 25.120 1.00 0.00 C +ATOM 2528 HG1 LYS 171 60.670 27.912 25.430 1.00 0.00 H +ATOM 2529 HG2 LYS 171 59.782 26.462 25.918 1.00 0.00 H +ATOM 2530 CD LYS 171 61.730 25.990 25.080 1.00 0.00 C +ATOM 2531 HD1 LYS 171 61.570 24.904 24.910 1.00 0.00 H +ATOM 2532 HD2 LYS 171 62.248 26.398 24.184 1.00 0.00 H +ATOM 2533 CE LYS 171 62.550 26.130 26.390 1.00 0.00 C +ATOM 2534 HE1 LYS 171 62.480 27.214 26.620 1.00 0.00 H +ATOM 2535 HE2 LYS 171 62.182 25.542 27.258 1.00 0.00 H +ATOM 2536 NZ LYS 171 63.920 25.730 26.260 1.00 0.00 N +ATOM 2537 HZ1 LYS 171 64.270 25.540 27.220 1.00 0.00 H +ATOM 2538 HZ2 LYS 171 63.990 24.862 25.692 1.00 0.00 H +ATOM 2539 HZ3 LYS 171 64.464 26.512 25.844 1.00 0.00 H +ATOM 2540 C LYS 171 58.320 28.320 22.080 1.00 0.00 C +ATOM 2541 O LYS 171 59.050 28.890 21.290 1.00 0.00 O +ATOM 2542 N ASP 172 57.030 28.160 21.750 1.00 0.00 N +ATOM 2543 HN ASP 172 56.382 27.722 22.368 1.00 0.00 H +ATOM 2544 CA ASP 172 56.520 28.800 20.540 1.00 0.00 C +ATOM 2545 HA ASP 172 57.290 28.960 19.800 1.00 0.00 H +ATOM 2546 CB ASP 172 55.380 27.800 19.990 1.00 0.00 C +ATOM 2547 HB1 ASP 172 54.632 27.660 20.798 1.00 0.00 H +ATOM 2548 HB2 ASP 172 54.928 28.352 19.138 1.00 0.00 H +ATOM 2549 CG ASP 172 55.970 26.540 19.370 1.00 0.00 C +ATOM 2550 OD1 ASP 172 57.190 26.350 19.190 1.00 0.00 O +ATOM 2551 OD2 ASP 172 55.130 25.650 19.010 1.00 0.00 O +ATOM 2552 C ASP 172 55.880 30.150 20.900 1.00 0.00 C +ATOM 2553 O ASP 172 55.110 30.720 20.150 1.00 0.00 O +ATOM 2554 N ASN 173 56.100 30.690 22.150 1.00 0.00 N +ATOM 2555 HN ASN 173 56.710 30.200 22.770 1.00 0.00 H +ATOM 2556 CA ASN 173 55.620 31.990 22.600 1.00 0.00 C +ATOM 2557 HA ASN 173 55.932 31.960 23.634 1.00 0.00 H +ATOM 2558 CB ASN 173 56.350 33.090 21.830 1.00 0.00 C +ATOM 2559 HB1 ASN 173 57.440 32.880 21.840 1.00 0.00 H +ATOM 2560 HB2 ASN 173 55.978 33.170 20.786 1.00 0.00 H +ATOM 2561 CG ASN 173 56.210 34.380 22.660 1.00 0.00 C +ATOM 2562 OD1 ASN 173 56.400 34.350 23.870 1.00 0.00 O +ATOM 2563 ND2 ASN 173 55.950 35.480 21.940 1.00 0.00 N +ATOM 2564 1HD2 ASN 173 55.660 35.370 20.990 1.00 0.00 H +ATOM 2565 2HD2 ASN 173 56.210 36.378 22.298 1.00 0.00 H +ATOM 2566 C ASN 173 54.150 32.100 22.710 1.00 0.00 C +ATOM 2567 O ASN 173 53.520 33.160 22.710 1.00 0.00 O +ATOM 2568 N LYS 174 53.510 30.900 22.970 1.00 0.00 N +ATOM 2569 HN LYS 174 53.942 30.038 23.220 1.00 0.00 H +ATOM 2570 CA LYS 174 52.110 30.880 23.150 1.00 0.00 C +ATOM 2571 HA LYS 174 51.700 31.782 22.720 1.00 0.00 H +ATOM 2572 CB LYS 174 51.420 29.640 22.540 1.00 0.00 C +ATOM 2573 HB1 LYS 174 51.858 28.764 23.068 1.00 0.00 H +ATOM 2574 HB2 LYS 174 50.314 29.740 22.570 1.00 0.00 H +ATOM 2575 CG LYS 174 51.750 29.400 21.010 1.00 0.00 C +ATOM 2576 HG1 LYS 174 51.302 30.236 20.432 1.00 0.00 H +ATOM 2577 HG2 LYS 174 52.854 29.330 20.910 1.00 0.00 H +ATOM 2578 CD LYS 174 50.980 28.120 20.470 1.00 0.00 C +ATOM 2579 HD1 LYS 174 51.160 27.198 21.062 1.00 0.00 H +ATOM 2580 HD2 LYS 174 49.878 28.240 20.390 1.00 0.00 H +ATOM 2581 CE LYS 174 51.550 27.950 19.050 1.00 0.00 C +ATOM 2582 HE1 LYS 174 51.108 28.742 18.408 1.00 0.00 H +ATOM 2583 HE2 LYS 174 52.658 28.020 19.100 1.00 0.00 H +ATOM 2584 NZ LYS 174 51.140 26.750 18.310 1.00 0.00 N +ATOM 2585 HZ1 LYS 174 51.350 26.940 17.310 1.00 0.00 H +ATOM 2586 HZ2 LYS 174 51.642 25.884 18.592 1.00 0.00 H +ATOM 2587 HZ3 LYS 174 50.112 26.710 18.460 1.00 0.00 H +ATOM 2588 C LYS 174 51.770 30.930 24.560 1.00 0.00 C +ATOM 2589 O LYS 174 52.670 31.000 25.380 1.00 0.00 O +ATOM 2590 N TRP 175 50.510 30.990 24.900 1.00 0.00 N +ATOM 2591 HN TRP 175 49.910 31.220 24.138 1.00 0.00 H +ATOM 2592 CA TRP 175 49.940 30.520 26.250 1.00 0.00 C +ATOM 2593 HA TRP 175 50.460 31.040 27.040 1.00 0.00 H +ATOM 2594 CB TRP 175 48.480 30.890 26.530 1.00 0.00 C +ATOM 2595 HB1 TRP 175 47.838 30.196 25.948 1.00 0.00 H +ATOM 2596 HB2 TRP 175 48.320 30.730 27.618 1.00 0.00 H +ATOM 2597 CG TRP 175 48.010 32.280 26.270 1.00 0.00 C +ATOM 2598 CD1 TRP 175 46.920 32.600 25.470 1.00 0.00 C +ATOM 2599 HD1 TRP 175 46.392 31.882 24.862 1.00 0.00 H +ATOM 2600 NE1 TRP 175 46.700 33.960 25.500 1.00 0.00 N +ATOM 2601 HE1 TRP 175 46.178 34.320 24.758 1.00 0.00 H +ATOM 2602 CE2 TRP 175 47.620 34.560 26.280 1.00 0.00 C +ATOM 2603 CD2 TRP 175 48.420 33.490 26.850 1.00 0.00 C +ATOM 2604 CE3 TRP 175 49.410 33.830 27.750 1.00 0.00 C +ATOM 2605 HE3 TRP 175 50.054 33.096 28.212 1.00 0.00 H +ATOM 2606 CZ3 TRP 175 49.620 35.130 28.050 1.00 0.00 C +ATOM 2607 HZ3 TRP 175 50.466 35.488 28.618 1.00 0.00 H +ATOM 2608 CZ2 TRP 175 47.820 35.870 26.500 1.00 0.00 C +ATOM 2609 HZ2 TRP 175 47.202 36.676 26.132 1.00 0.00 H +ATOM 2610 CH2 TRP 175 48.860 36.140 27.420 1.00 0.00 C +ATOM 2611 HH2 TRP 175 49.100 37.182 27.570 1.00 0.00 H +ATOM 2612 C TRP 175 50.090 29.010 26.480 1.00 0.00 C +ATOM 2613 O TRP 175 50.120 28.250 25.520 1.00 0.00 O +ATOM 2614 N CYS 176 50.280 28.540 27.710 1.00 0.00 N +ATOM 2615 HN CYS 176 49.932 29.028 28.506 1.00 0.00 H +ATOM 2616 CA CYS 176 50.830 27.220 27.980 1.00 0.00 C +ATOM 2617 HA CYS 176 50.194 26.494 27.494 1.00 0.00 H +ATOM 2618 CB CYS 176 52.350 27.140 27.630 1.00 0.00 C +ATOM 2619 HB1 CYS 176 52.718 26.104 27.800 1.00 0.00 H +ATOM 2620 HB2 CYS 176 52.340 27.340 26.538 1.00 0.00 H +ATOM 2621 SG CYS 176 53.380 28.400 28.450 1.00 0.00 S +ATOM 2622 C CYS 176 50.670 26.830 29.420 1.00 0.00 C +ATOM 2623 O CYS 176 51.290 25.880 29.870 1.00 0.00 O +ATOM 2624 N ASN 177 49.790 27.480 30.240 1.00 0.00 N +ATOM 2625 HN ASN 177 49.262 28.286 29.982 1.00 0.00 H +ATOM 2626 CA ASN 177 49.300 26.930 31.510 1.00 0.00 C +ATOM 2627 HA ASN 177 49.732 25.988 31.810 1.00 0.00 H +ATOM 2628 CB ASN 177 49.590 28.020 32.610 1.00 0.00 C +ATOM 2629 HB1 ASN 177 49.152 28.984 32.272 1.00 0.00 H +ATOM 2630 HB2 ASN 177 49.090 27.740 33.562 1.00 0.00 H +ATOM 2631 CG ASN 177 51.070 28.230 32.960 1.00 0.00 C +ATOM 2632 OD1 ASN 177 51.550 27.700 33.950 1.00 0.00 O +ATOM 2633 ND2 ASN 177 51.770 29.040 32.110 1.00 0.00 N +ATOM 2634 1HD2 ASN 177 51.384 29.020 31.188 1.00 0.00 H +ATOM 2635 2HD2 ASN 177 52.736 29.090 32.362 1.00 0.00 H +ATOM 2636 C ASN 177 47.750 26.720 31.390 1.00 0.00 C +ATOM 2637 O ASN 177 47.020 27.330 32.210 1.00 0.00 O +ATOM 2638 N PRO 178 47.150 25.940 30.480 1.00 0.00 N +ATOM 2639 CD PRO 178 47.790 25.180 29.450 1.00 0.00 C +ATOM 2640 HD1 PRO 178 48.790 24.800 29.750 1.00 0.00 H +ATOM 2641 HD2 PRO 178 48.010 25.798 28.552 1.00 0.00 H +ATOM 2642 CA PRO 178 45.740 25.580 30.570 1.00 0.00 C +ATOM 2643 HA PRO 178 45.086 26.436 30.520 1.00 0.00 H +ATOM 2644 CB PRO 178 45.500 24.750 29.310 1.00 0.00 C +ATOM 2645 HB1 PRO 178 44.698 23.998 29.460 1.00 0.00 H +ATOM 2646 HB2 PRO 178 45.390 25.338 28.374 1.00 0.00 H +ATOM 2647 CG PRO 178 46.820 24.070 29.170 1.00 0.00 C +ATOM 2648 HG1 PRO 178 46.920 23.382 30.036 1.00 0.00 H +ATOM 2649 HG2 PRO 178 46.940 23.702 28.128 1.00 0.00 H +ATOM 2650 C PRO 178 45.450 24.870 31.960 1.00 0.00 C +ATOM 2651 O PRO 178 46.190 24.030 32.470 1.00 0.00 O +ATOM 2652 N LEU 179 44.350 25.280 32.580 1.00 0.00 N +ATOM 2653 HN LEU 179 43.866 26.086 32.248 1.00 0.00 H +ATOM 2654 CA LEU 179 43.710 24.600 33.740 1.00 0.00 C +ATOM 2655 HA LEU 179 44.416 23.924 34.198 1.00 0.00 H +ATOM 2656 CB LEU 179 42.960 25.700 34.690 1.00 0.00 C +ATOM 2657 HB1 LEU 179 42.142 26.028 34.012 1.00 0.00 H +ATOM 2658 HB2 LEU 179 42.740 25.130 35.618 1.00 0.00 H +ATOM 2659 CG LEU 179 43.850 26.880 35.140 1.00 0.00 C +ATOM 2660 HG LEU 179 44.302 27.322 34.226 1.00 0.00 H +ATOM 2661 CD1 LEU 179 42.960 27.870 35.900 1.00 0.00 C +ATOM 2662 1HD1 LEU 179 43.432 28.832 36.190 1.00 0.00 H +ATOM 2663 2HD1 LEU 179 42.082 28.040 35.242 1.00 0.00 H +ATOM 2664 3HD1 LEU 179 42.672 27.394 36.862 1.00 0.00 H +ATOM 2665 CD2 LEU 179 45.020 26.380 36.020 1.00 0.00 C +ATOM 2666 1HD2 LEU 179 44.558 25.646 36.714 1.00 0.00 H +ATOM 2667 2HD2 LEU 179 45.776 25.834 35.414 1.00 0.00 H +ATOM 2668 3HD2 LEU 179 45.580 27.192 36.530 1.00 0.00 H +ATOM 2669 C LEU 179 42.690 23.680 33.070 1.00 0.00 C +ATOM 2670 O LEU 179 42.270 23.900 31.950 1.00 0.00 O +ATOM 2671 N ALA 180 42.310 22.600 33.770 1.00 0.00 N +ATOM 2672 HN ALA 180 42.906 22.312 34.516 1.00 0.00 H +ATOM 2673 CA ALA 180 41.300 21.680 33.360 1.00 0.00 C +ATOM 2674 HA ALA 180 40.822 22.028 32.456 1.00 0.00 H +ATOM 2675 CB ALA 180 41.770 20.220 33.130 1.00 0.00 C +ATOM 2676 HB1 ALA 180 42.170 19.910 34.120 1.00 0.00 H +ATOM 2677 HB2 ALA 180 40.890 19.560 32.980 1.00 0.00 H +ATOM 2678 HB3 ALA 180 42.502 20.290 32.298 1.00 0.00 H +ATOM 2679 C ALA 180 40.300 21.780 34.540 1.00 0.00 C +ATOM 2680 O ALA 180 40.670 21.470 35.660 1.00 0.00 O +ATOM 2681 N ILE 181 39.110 22.300 34.270 1.00 0.00 N +ATOM 2682 HN ILE 181 38.890 22.490 33.316 1.00 0.00 H +ATOM 2683 CA ILE 181 38.090 22.660 35.260 1.00 0.00 C +ATOM 2684 HA ILE 181 38.430 22.480 36.270 1.00 0.00 H +ATOM 2685 CB ILE 181 37.750 24.090 35.210 1.00 0.00 C +ATOM 2686 HB ILE 181 37.452 24.358 34.174 1.00 0.00 H +ATOM 2687 CG2 ILE 181 36.540 24.470 36.060 1.00 0.00 C +ATOM 2688 1HG2 ILE 181 36.620 25.482 36.510 1.00 0.00 H +ATOM 2689 2HG2 ILE 181 35.698 24.510 35.338 1.00 0.00 H +ATOM 2690 3HG2 ILE 181 36.390 23.742 36.888 1.00 0.00 H +ATOM 2691 CG1 ILE 181 39.040 24.850 35.570 1.00 0.00 C +ATOM 2692 1HG1 ILE 181 39.160 24.720 36.668 1.00 0.00 H +ATOM 2693 2HG1 ILE 181 40.012 24.490 35.170 1.00 0.00 H +ATOM 2694 CD ILE 181 39.020 26.330 35.240 1.00 0.00 C +ATOM 2695 HD1 ILE 181 39.040 26.440 34.134 1.00 0.00 H +ATOM 2696 HD2 ILE 181 38.046 26.748 35.578 1.00 0.00 H +ATOM 2697 HD3 ILE 181 39.902 26.842 35.680 1.00 0.00 H +ATOM 2698 C ILE 181 36.900 21.790 34.950 1.00 0.00 C +ATOM 2699 O ILE 181 36.210 21.970 33.910 1.00 0.00 O +ATOM 2700 N GLN 182 36.640 20.780 35.810 1.00 0.00 N +ATOM 2701 HN GLN 182 37.170 20.700 36.650 1.00 0.00 H +ATOM 2702 CA GLN 182 35.660 19.760 35.580 1.00 0.00 C +ATOM 2703 HA GLN 182 35.220 19.860 34.600 1.00 0.00 H +ATOM 2704 CB GLN 182 36.240 18.330 35.800 1.00 0.00 C +ATOM 2705 HB1 GLN 182 36.630 18.250 36.838 1.00 0.00 H +ATOM 2706 HB2 GLN 182 35.402 17.602 35.740 1.00 0.00 H +ATOM 2707 CG GLN 182 37.160 17.950 34.740 1.00 0.00 C +ATOM 2708 HG1 GLN 182 36.658 17.728 33.774 1.00 0.00 H +ATOM 2709 HG2 GLN 182 37.906 18.706 34.412 1.00 0.00 H +ATOM 2710 CD GLN 182 37.830 16.660 35.150 1.00 0.00 C +ATOM 2711 OE1 GLN 182 38.640 16.650 36.120 1.00 0.00 O +ATOM 2712 NE2 GLN 182 37.470 15.520 34.510 1.00 0.00 N +ATOM 2713 1HE2 GLN 182 36.842 15.560 33.732 1.00 0.00 H +ATOM 2714 2HE2 GLN 182 37.878 14.624 34.690 1.00 0.00 H +ATOM 2715 C GLN 182 34.470 19.970 36.480 1.00 0.00 C +ATOM 2716 O GLN 182 34.580 20.240 37.690 1.00 0.00 O +ATOM 2717 N PHE 183 33.220 19.890 36.010 1.00 0.00 N +ATOM 2718 HN PHE 183 33.080 19.540 35.088 1.00 0.00 H +ATOM 2719 CA PHE 183 32.020 20.080 36.840 1.00 0.00 C +ATOM 2720 HA PHE 183 32.310 20.992 37.340 1.00 0.00 H +ATOM 2721 CB PHE 183 30.730 20.420 36.040 1.00 0.00 C +ATOM 2722 HB1 PHE 183 30.460 19.532 35.430 1.00 0.00 H +ATOM 2723 HB2 PHE 183 29.924 20.738 36.736 1.00 0.00 H +ATOM 2724 CG PHE 183 30.890 21.600 35.090 1.00 0.00 C +ATOM 2725 CD1 PHE 183 30.380 22.830 35.470 1.00 0.00 C +ATOM 2726 HD1 PHE 183 30.010 22.900 36.482 1.00 0.00 H +ATOM 2727 CE1 PHE 183 30.370 23.910 34.520 1.00 0.00 C +ATOM 2728 HE1 PHE 183 30.000 24.860 34.880 1.00 0.00 H +ATOM 2729 CZ PHE 183 30.660 23.720 33.220 1.00 0.00 C +ATOM 2730 HZ PHE 183 30.500 24.560 32.560 1.00 0.00 H +ATOM 2731 CD2 PHE 183 31.340 21.440 33.740 1.00 0.00 C +ATOM 2732 HD2 PHE 183 31.490 20.418 33.430 1.00 0.00 H +ATOM 2733 CE2 PHE 183 31.120 22.460 32.820 1.00 0.00 C +ATOM 2734 HE2 PHE 183 31.300 22.380 31.758 1.00 0.00 H +ATOM 2735 C PHE 183 31.850 18.910 37.770 1.00 0.00 C +ATOM 2736 O PHE 183 31.790 17.750 37.360 1.00 0.00 O +ATOM 2737 N THR 184 31.590 19.180 39.070 1.00 0.00 N +ATOM 2738 HN THR 184 31.520 20.128 39.370 1.00 0.00 H +ATOM 2739 CA THR 184 31.310 18.160 40.080 1.00 0.00 C +ATOM 2740 HA THR 184 31.970 17.310 40.000 1.00 0.00 H +ATOM 2741 CB THR 184 31.490 18.630 41.510 1.00 0.00 C +ATOM 2742 HB THR 184 31.350 17.866 42.304 1.00 0.00 H +ATOM 2743 OG1 THR 184 30.560 19.720 41.800 1.00 0.00 O +ATOM 2744 HG1 THR 184 30.960 20.150 42.560 1.00 0.00 H +ATOM 2745 CG2 THR 184 32.880 19.200 41.670 1.00 0.00 C +ATOM 2746 1HG2 THR 184 33.000 19.650 42.680 1.00 0.00 H +ATOM 2747 2HG2 THR 184 33.662 18.418 41.580 1.00 0.00 H +ATOM 2748 3HG2 THR 184 33.170 19.968 40.922 1.00 0.00 H +ATOM 2749 C THR 184 29.880 17.620 39.900 1.00 0.00 C +ATOM 2750 O THR 184 29.110 18.200 39.150 1.00 0.00 O +ATOM 2751 N ASN 185 29.500 16.590 40.770 1.00 0.00 N +ATOM 2752 HN ASN 185 30.122 15.978 41.252 1.00 0.00 H +ATOM 2753 CA ASN 185 28.060 16.200 40.830 1.00 0.00 C +ATOM 2754 HA ASN 185 27.630 15.950 39.870 1.00 0.00 H +ATOM 2755 CB ASN 185 27.950 14.940 41.770 1.00 0.00 C +ATOM 2756 HB1 ASN 185 28.682 15.090 42.592 1.00 0.00 H +ATOM 2757 HB2 ASN 185 26.934 14.582 42.040 1.00 0.00 H +ATOM 2758 CG ASN 185 28.670 13.790 41.000 1.00 0.00 C +ATOM 2759 OD1 ASN 185 28.620 13.760 39.760 1.00 0.00 O +ATOM 2760 ND2 ASN 185 29.350 12.870 41.710 1.00 0.00 N +ATOM 2761 1HD2 ASN 185 29.200 12.910 42.698 1.00 0.00 H +ATOM 2762 2HD2 ASN 185 30.032 12.278 41.280 1.00 0.00 H +ATOM 2763 C ASN 185 27.100 17.280 41.280 1.00 0.00 C +ATOM 2764 O ASN 185 26.050 17.390 40.720 1.00 0.00 O +ATOM 2765 N ALA 186 27.500 18.080 42.290 1.00 0.00 N +ATOM 2766 HN ALA 186 28.320 17.880 42.820 1.00 0.00 H +ATOM 2767 CA ALA 186 26.740 19.230 42.800 1.00 0.00 C +ATOM 2768 HA ALA 186 25.786 18.842 43.128 1.00 0.00 H +ATOM 2769 CB ALA 186 27.380 19.830 44.030 1.00 0.00 C +ATOM 2770 HB1 ALA 186 26.784 20.726 44.308 1.00 0.00 H +ATOM 2771 HB2 ALA 186 27.260 19.122 44.878 1.00 0.00 H +ATOM 2772 HB3 ALA 186 28.414 20.222 43.930 1.00 0.00 H +ATOM 2773 C ALA 186 26.610 20.300 41.710 1.00 0.00 C +ATOM 2774 O ALA 186 25.610 21.050 41.560 1.00 0.00 O +ATOM 2775 N GLY 187 27.780 20.400 40.960 1.00 0.00 N +ATOM 2776 HN GLY 187 28.492 19.708 41.050 1.00 0.00 H +ATOM 2777 CA GLY 187 27.930 21.440 39.990 1.00 0.00 C +ATOM 2778 HA1 GLY 187 27.820 22.424 40.422 1.00 0.00 H +ATOM 2779 HA2 GLY 187 28.930 21.290 39.610 1.00 0.00 H +ATOM 2780 C GLY 187 27.030 21.300 38.790 1.00 0.00 C +ATOM 2781 O GLY 187 26.480 22.240 38.200 1.00 0.00 O +ATOM 2782 N LYS 188 26.850 19.970 38.420 1.00 0.00 N +ATOM 2783 HN LYS 188 27.422 19.368 38.972 1.00 0.00 H +ATOM 2784 CA LYS 188 25.880 19.470 37.480 1.00 0.00 C +ATOM 2785 HA LYS 188 25.970 20.120 36.622 1.00 0.00 H +ATOM 2786 CB LYS 188 26.180 17.970 37.150 1.00 0.00 C +ATOM 2787 HB1 LYS 188 26.368 17.354 38.056 1.00 0.00 H +ATOM 2788 HB2 LYS 188 25.360 17.430 36.630 1.00 0.00 H +ATOM 2789 CG LYS 188 27.490 17.810 36.310 1.00 0.00 C +ATOM 2790 HG1 LYS 188 27.410 18.330 35.332 1.00 0.00 H +ATOM 2791 HG2 LYS 188 28.334 18.406 36.718 1.00 0.00 H +ATOM 2792 CD LYS 188 27.970 16.390 36.120 1.00 0.00 C +ATOM 2793 HD1 LYS 188 28.210 16.020 37.140 1.00 0.00 H +ATOM 2794 HD2 LYS 188 27.136 15.828 35.648 1.00 0.00 H +ATOM 2795 CE LYS 188 29.200 16.300 35.180 1.00 0.00 C +ATOM 2796 HE1 LYS 188 28.960 16.660 34.158 1.00 0.00 H +ATOM 2797 HE2 LYS 188 30.044 16.836 35.666 1.00 0.00 H +ATOM 2798 NZ LYS 188 29.650 14.900 35.000 1.00 0.00 N +ATOM 2799 HZ1 LYS 188 28.840 14.340 34.670 1.00 0.00 H +ATOM 2800 HZ2 LYS 188 30.390 14.900 34.270 1.00 0.00 H +ATOM 2801 HZ3 LYS 188 30.096 14.464 35.832 1.00 0.00 H +ATOM 2802 C LYS 188 24.490 19.600 37.980 1.00 0.00 C +ATOM 2803 O LYS 188 23.540 19.940 37.240 1.00 0.00 O +ATOM 2804 N GLN 189 24.270 19.450 39.300 1.00 0.00 N +ATOM 2805 HN GLN 189 24.974 19.118 39.924 1.00 0.00 H +ATOM 2806 CA GLN 189 22.920 19.620 39.900 1.00 0.00 C +ATOM 2807 HA GLN 189 22.200 19.070 39.310 1.00 0.00 H +ATOM 2808 CB GLN 189 22.870 18.980 41.280 1.00 0.00 C +ATOM 2809 HB1 GLN 189 23.782 19.180 41.882 1.00 0.00 H +ATOM 2810 HB2 GLN 189 22.100 19.420 41.950 1.00 0.00 H +ATOM 2811 CG GLN 189 22.770 17.450 41.270 1.00 0.00 C +ATOM 2812 HG1 GLN 189 23.702 17.008 40.858 1.00 0.00 H +ATOM 2813 HG2 GLN 189 22.670 17.140 42.332 1.00 0.00 H +ATOM 2814 CD GLN 189 21.600 16.970 40.460 1.00 0.00 C +ATOM 2815 OE1 GLN 189 20.460 17.260 40.820 1.00 0.00 O +ATOM 2816 NE2 GLN 189 21.880 16.300 39.280 1.00 0.00 N +ATOM 2817 1HE2 GLN 189 22.850 16.150 39.090 1.00 0.00 H +ATOM 2818 2HE2 GLN 189 21.122 16.000 38.702 1.00 0.00 H +ATOM 2819 C GLN 189 22.340 21.060 39.920 1.00 0.00 C +ATOM 2820 O GLN 189 21.150 21.260 39.670 1.00 0.00 O +ATOM 2821 N VAL 190 23.190 22.150 40.110 1.00 0.00 N +ATOM 2822 HN VAL 190 24.182 22.110 40.200 1.00 0.00 H +ATOM 2823 CA VAL 190 22.810 23.510 40.050 1.00 0.00 C +ATOM 2824 HA VAL 190 21.916 23.620 40.646 1.00 0.00 H +ATOM 2825 CB VAL 190 23.750 24.470 40.820 1.00 0.00 C +ATOM 2826 HB VAL 190 23.174 25.404 40.998 1.00 0.00 H +ATOM 2827 CG1 VAL 190 24.000 23.910 42.260 1.00 0.00 C +ATOM 2828 1HG1 VAL 190 24.820 23.170 42.150 1.00 0.00 H +ATOM 2829 2HG1 VAL 190 24.540 24.650 42.890 1.00 0.00 H +ATOM 2830 3HG1 VAL 190 23.116 23.532 42.816 1.00 0.00 H +ATOM 2831 CG2 VAL 190 25.110 24.790 40.210 1.00 0.00 C +ATOM 2832 1HG2 VAL 190 24.990 25.508 39.372 1.00 0.00 H +ATOM 2833 2HG2 VAL 190 25.692 25.332 40.984 1.00 0.00 H +ATOM 2834 3HG2 VAL 190 25.660 23.860 39.950 1.00 0.00 H +ATOM 2835 C VAL 190 22.390 24.050 38.640 1.00 0.00 C +ATOM 2836 O VAL 190 23.090 23.800 37.640 1.00 0.00 O +ATOM 2837 N THR 191 21.380 24.820 38.560 1.00 0.00 N +ATOM 2838 HN THR 191 20.752 24.980 39.318 1.00 0.00 H +ATOM 2839 CA THR 191 20.810 25.350 37.290 1.00 0.00 C +ATOM 2840 HA THR 191 21.368 24.932 36.464 1.00 0.00 H +ATOM 2841 CB THR 191 19.400 24.850 37.130 1.00 0.00 C +ATOM 2842 HB THR 191 19.530 23.758 37.280 1.00 0.00 H +ATOM 2843 OG1 THR 191 18.770 25.080 35.850 1.00 0.00 O +ATOM 2844 HG1 THR 191 19.326 24.652 35.194 1.00 0.00 H +ATOM 2845 CG2 THR 191 18.500 25.430 38.180 1.00 0.00 C +ATOM 2846 1HG2 THR 191 17.480 25.010 38.040 1.00 0.00 H +ATOM 2847 2HG2 THR 191 18.860 25.180 39.200 1.00 0.00 H +ATOM 2848 3HG2 THR 191 18.320 26.520 38.070 1.00 0.00 H +ATOM 2849 C THR 191 20.920 26.880 37.220 1.00 0.00 C +ATOM 2850 O THR 191 20.480 27.560 36.300 1.00 0.00 O +ATOM 2851 N SER 192 21.600 27.460 38.280 1.00 0.00 N +ATOM 2852 HN SER 192 21.850 26.808 38.992 1.00 0.00 H +ATOM 2853 CA SER 192 21.880 28.910 38.420 1.00 0.00 C +ATOM 2854 HA SER 192 21.026 29.396 37.972 1.00 0.00 H +ATOM 2855 CB SER 192 22.110 29.180 39.950 1.00 0.00 C +ATOM 2856 HB1 SER 192 22.310 30.254 40.150 1.00 0.00 H +ATOM 2857 HB2 SER 192 21.154 28.892 40.438 1.00 0.00 H +ATOM 2858 OG SER 192 23.230 28.460 40.510 1.00 0.00 O +ATOM 2859 HG1 SER 192 23.000 28.072 41.358 1.00 0.00 H +ATOM 2860 C SER 192 23.100 29.430 37.770 1.00 0.00 C +ATOM 2861 O SER 192 23.550 30.550 37.990 1.00 0.00 O +ATOM 2862 N TRP 193 23.620 28.690 36.830 1.00 0.00 N +ATOM 2863 HN TRP 193 23.238 27.776 36.720 1.00 0.00 H +ATOM 2864 CA TRP 193 24.820 28.930 36.050 1.00 0.00 C +ATOM 2865 HA TRP 193 25.582 29.210 36.762 1.00 0.00 H +ATOM 2866 CB TRP 193 25.330 27.590 35.330 1.00 0.00 C +ATOM 2867 HB1 TRP 193 24.448 27.078 34.888 1.00 0.00 H +ATOM 2868 HB2 TRP 193 25.958 27.780 34.432 1.00 0.00 H +ATOM 2869 CG TRP 193 26.060 26.590 36.250 1.00 0.00 C +ATOM 2870 CD1 TRP 193 25.690 25.300 36.560 1.00 0.00 C +ATOM 2871 HD1 TRP 193 24.724 24.858 36.368 1.00 0.00 H +ATOM 2872 NE1 TRP 193 26.620 24.650 37.180 1.00 0.00 N +ATOM 2873 HE1 TRP 193 26.670 23.696 37.378 1.00 0.00 H +ATOM 2874 CE2 TRP 193 27.730 25.510 37.320 1.00 0.00 C +ATOM 2875 CD2 TRP 193 27.380 26.730 36.750 1.00 0.00 C +ATOM 2876 CE3 TRP 193 28.290 27.750 36.710 1.00 0.00 C +ATOM 2877 HE3 TRP 193 28.048 28.734 36.338 1.00 0.00 H +ATOM 2878 CZ3 TRP 193 29.620 27.510 37.170 1.00 0.00 C +ATOM 2879 HZ3 TRP 193 30.368 28.288 37.120 1.00 0.00 H +ATOM 2880 CZ2 TRP 193 28.990 25.260 37.760 1.00 0.00 C +ATOM 2881 HZ2 TRP 193 29.288 24.294 38.138 1.00 0.00 H +ATOM 2882 CH2 TRP 193 29.930 26.340 37.720 1.00 0.00 C +ATOM 2883 HH2 TRP 193 30.930 26.200 38.100 1.00 0.00 H +ATOM 2884 C TRP 193 24.760 30.070 35.070 1.00 0.00 C +ATOM 2885 O TRP 193 25.750 30.530 34.630 1.00 0.00 O +ATOM 2886 N THR 194 23.510 30.450 34.660 1.00 0.00 N +ATOM 2887 HN THR 194 22.730 29.990 35.080 1.00 0.00 H +ATOM 2888 CA THR 194 23.280 31.600 33.770 1.00 0.00 C +ATOM 2889 HA THR 194 23.980 31.530 32.950 1.00 0.00 H +ATOM 2890 CB THR 194 21.870 31.760 33.230 1.00 0.00 C +ATOM 2891 HB THR 194 21.478 32.754 32.928 1.00 0.00 H +ATOM 2892 OG1 THR 194 20.880 31.290 34.130 1.00 0.00 O +ATOM 2893 HG1 THR 194 20.930 31.830 34.922 1.00 0.00 H +ATOM 2894 CG2 THR 194 21.760 30.840 32.020 1.00 0.00 C +ATOM 2895 1HG2 THR 194 22.398 31.238 31.202 1.00 0.00 H +ATOM 2896 2HG2 THR 194 22.250 29.892 32.330 1.00 0.00 H +ATOM 2897 3HG2 THR 194 20.692 30.850 31.710 1.00 0.00 H +ATOM 2898 C THR 194 23.680 32.910 34.410 1.00 0.00 C +ATOM 2899 O THR 194 24.140 33.840 33.720 1.00 0.00 O +ATOM 2900 N THR 195 23.600 33.050 35.730 1.00 0.00 N +ATOM 2901 HN THR 195 23.220 32.290 36.250 1.00 0.00 H +ATOM 2902 CA THR 195 24.080 34.220 36.390 1.00 0.00 C +ATOM 2903 HA THR 195 24.140 35.098 35.762 1.00 0.00 H +ATOM 2904 CB THR 195 23.140 34.610 37.550 1.00 0.00 C +ATOM 2905 HB THR 195 23.698 35.338 38.178 1.00 0.00 H +ATOM 2906 OG1 THR 195 22.710 33.460 38.280 1.00 0.00 O +ATOM 2907 HG1 THR 195 23.510 33.010 38.560 1.00 0.00 H +ATOM 2908 CG2 THR 195 21.920 35.300 36.960 1.00 0.00 C +ATOM 2909 1HG2 THR 195 21.460 34.740 36.120 1.00 0.00 H +ATOM 2910 2HG2 THR 195 21.074 35.488 37.656 1.00 0.00 H +ATOM 2911 3HG2 THR 195 22.200 36.318 36.610 1.00 0.00 H +ATOM 2912 C THR 195 25.540 34.130 36.880 1.00 0.00 C +ATOM 2913 O THR 195 26.080 35.110 37.360 1.00 0.00 O +ATOM 2914 N GLY 196 26.140 32.950 36.560 1.00 0.00 N +ATOM 2915 HN GLY 196 25.626 32.254 36.066 1.00 0.00 H +ATOM 2916 CA GLY 196 27.580 32.630 36.740 1.00 0.00 C +ATOM 2917 HA1 GLY 196 27.690 31.638 36.330 1.00 0.00 H +ATOM 2918 HA2 GLY 196 28.188 33.246 36.094 1.00 0.00 H +ATOM 2919 C GLY 196 28.130 32.630 38.100 1.00 0.00 C +ATOM 2920 O GLY 196 27.710 33.380 39.000 1.00 0.00 O +ATOM 2921 N HIS 197 29.120 31.790 38.310 1.00 0.00 N +ATOM 2922 HN HIS 197 29.422 31.268 37.516 1.00 0.00 H +ATOM 2923 CA HIS 197 29.730 31.610 39.660 1.00 0.00 C +ATOM 2924 HA HIS 197 29.450 32.312 40.432 1.00 0.00 H +ATOM 2925 CB HIS 197 29.500 30.220 40.260 1.00 0.00 C +ATOM 2926 HB1 HIS 197 29.740 29.372 39.582 1.00 0.00 H +ATOM 2927 HB2 HIS 197 29.950 30.110 41.270 1.00 0.00 H +ATOM 2928 ND1 HIS 197 27.350 30.670 41.520 1.00 0.00 N +ATOM 2929 CG HIS 197 28.070 29.990 40.540 1.00 0.00 C +ATOM 2930 CE1 HIS 197 26.100 30.070 41.450 1.00 0.00 C +ATOM 2931 HE1 HIS 197 25.226 30.428 41.996 1.00 0.00 H +ATOM 2932 NE2 HIS 197 26.070 29.100 40.450 1.00 0.00 N +ATOM 2933 HE2 HIS 197 25.234 28.622 40.182 1.00 0.00 H +ATOM 2934 CD2 HIS 197 27.320 29.080 39.880 1.00 0.00 C +ATOM 2935 HD2 HIS 197 27.530 28.338 39.118 1.00 0.00 H +ATOM 2936 C HIS 197 31.200 31.930 39.560 1.00 0.00 C +ATOM 2937 O HIS 197 31.860 31.810 38.530 1.00 0.00 O +ATOM 2938 N TYR 198 31.730 32.390 40.700 1.00 0.00 N +ATOM 2939 HN TYR 198 31.188 32.540 41.522 1.00 0.00 H +ATOM 2940 CA TYR 198 33.050 32.970 40.800 1.00 0.00 C +ATOM 2941 HA TYR 198 33.500 32.760 39.840 1.00 0.00 H +ATOM 2942 CB TYR 198 32.890 34.420 41.270 1.00 0.00 C +ATOM 2943 HB1 TYR 198 32.270 34.440 42.190 1.00 0.00 H +ATOM 2944 HB2 TYR 198 33.908 34.848 41.400 1.00 0.00 H +ATOM 2945 CG TYR 198 32.120 35.170 40.180 1.00 0.00 C +ATOM 2946 CD1 TYR 198 32.640 35.300 38.900 1.00 0.00 C +ATOM 2947 HD1 TYR 198 33.636 34.892 38.810 1.00 0.00 H +ATOM 2948 CE1 TYR 198 32.010 36.020 37.880 1.00 0.00 C +ATOM 2949 HE1 TYR 198 32.460 36.100 36.902 1.00 0.00 H +ATOM 2950 CZ TYR 198 30.760 36.620 38.170 1.00 0.00 C +ATOM 2951 OH TYR 198 30.090 37.330 37.200 1.00 0.00 O +ATOM 2952 HH TYR 198 29.204 37.550 37.498 1.00 0.00 H +ATOM 2953 CD2 TYR 198 30.940 35.880 40.490 1.00 0.00 C +ATOM 2954 HD2 TYR 198 30.424 35.770 41.434 1.00 0.00 H +ATOM 2955 CE2 TYR 198 30.310 36.660 39.500 1.00 0.00 C +ATOM 2956 HE2 TYR 198 29.352 37.150 39.590 1.00 0.00 H +ATOM 2957 C TYR 198 33.850 32.120 41.790 1.00 0.00 C +ATOM 2958 O TYR 198 33.310 31.560 42.760 1.00 0.00 O +ATOM 2959 N TRP 199 35.160 32.070 41.670 1.00 0.00 N +ATOM 2960 HN TRP 199 35.590 32.532 40.898 1.00 0.00 H +ATOM 2961 CA TRP 199 36.060 31.540 42.570 1.00 0.00 C +ATOM 2962 HA TRP 199 35.670 31.630 43.572 1.00 0.00 H +ATOM 2963 CB TRP 199 36.490 30.100 42.190 1.00 0.00 C +ATOM 2964 HB1 TRP 199 36.938 30.160 41.174 1.00 0.00 H +ATOM 2965 HB2 TRP 199 37.346 29.792 42.828 1.00 0.00 H +ATOM 2966 CG TRP 199 35.460 29.030 42.210 1.00 0.00 C +ATOM 2967 CD1 TRP 199 35.430 28.060 43.110 1.00 0.00 C +ATOM 2968 HD1 TRP 199 36.160 27.950 43.900 1.00 0.00 H +ATOM 2969 NE1 TRP 199 34.290 27.330 42.970 1.00 0.00 N +ATOM 2970 HE1 TRP 199 34.002 26.646 43.604 1.00 0.00 H +ATOM 2971 CE2 TRP 199 33.590 27.760 41.930 1.00 0.00 C +ATOM 2972 CD2 TRP 199 34.290 28.850 41.320 1.00 0.00 C +ATOM 2973 CE3 TRP 199 33.860 29.400 40.180 1.00 0.00 C +ATOM 2974 HE3 TRP 199 34.318 30.218 39.642 1.00 0.00 H +ATOM 2975 CZ3 TRP 199 32.680 28.890 39.610 1.00 0.00 C +ATOM 2976 HZ3 TRP 199 32.270 29.360 38.728 1.00 0.00 H +ATOM 2977 CZ2 TRP 199 32.450 27.250 41.390 1.00 0.00 C +ATOM 2978 HZ2 TRP 199 31.902 26.424 41.818 1.00 0.00 H +ATOM 2979 CH2 TRP 199 31.940 27.910 40.270 1.00 0.00 C +ATOM 2980 HH2 TRP 199 30.954 27.608 39.948 1.00 0.00 H +ATOM 2981 C TRP 199 37.290 32.490 42.540 1.00 0.00 C +ATOM 2982 O TRP 199 37.380 33.430 41.760 1.00 0.00 O +ATOM 2983 N GLY 200 38.320 32.270 43.340 1.00 0.00 N +ATOM 2984 HN GLY 200 38.220 31.554 44.026 1.00 0.00 H +ATOM 2985 CA GLY 200 39.620 32.820 43.350 1.00 0.00 C +ATOM 2986 HA1 GLY 200 39.790 33.368 42.434 1.00 0.00 H +ATOM 2987 HA2 GLY 200 39.730 33.478 44.198 1.00 0.00 H +ATOM 2988 C GLY 200 40.690 31.760 43.470 1.00 0.00 C +ATOM 2989 O GLY 200 40.480 30.670 43.970 1.00 0.00 O +ATOM 2990 N LEU 201 41.810 31.980 42.740 1.00 0.00 N +ATOM 2991 HN LEU 201 41.920 32.822 42.218 1.00 0.00 H +ATOM 2992 CA LEU 201 42.900 31.060 42.650 1.00 0.00 C +ATOM 2993 HA LEU 201 42.648 30.186 43.232 1.00 0.00 H +ATOM 2994 CB LEU 201 42.930 30.740 41.140 1.00 0.00 C +ATOM 2995 HB1 LEU 201 41.892 30.670 40.750 1.00 0.00 H +ATOM 2996 HB2 LEU 201 43.280 31.658 40.620 1.00 0.00 H +ATOM 2997 CG LEU 201 43.810 29.580 40.710 1.00 0.00 C +ATOM 2998 HG LEU 201 43.660 28.762 41.448 1.00 0.00 H +ATOM 2999 CD1 LEU 201 43.340 28.930 39.360 1.00 0.00 C +ATOM 3000 1HD1 LEU 201 43.810 27.948 39.140 1.00 0.00 H +ATOM 3001 2HD1 LEU 201 42.232 28.870 39.400 1.00 0.00 H +ATOM 3002 3HD1 LEU 201 43.480 29.668 38.542 1.00 0.00 H +ATOM 3003 CD2 LEU 201 45.360 29.900 40.620 1.00 0.00 C +ATOM 3004 1HD2 LEU 201 45.870 30.090 41.588 1.00 0.00 H +ATOM 3005 2HD2 LEU 201 45.850 29.110 40.010 1.00 0.00 H +ATOM 3006 3HD2 LEU 201 45.460 30.838 40.032 1.00 0.00 H +ATOM 3007 C LEU 201 44.190 31.640 43.170 1.00 0.00 C +ATOM 3008 O LEU 201 44.540 32.740 42.760 1.00 0.00 O +ATOM 3009 N ARG 202 44.910 30.940 43.990 1.00 0.00 N +ATOM 3010 HN ARG 202 44.680 30.080 44.440 1.00 0.00 H +ATOM 3011 CA ARG 202 46.220 31.310 44.510 1.00 0.00 C +ATOM 3012 HA ARG 202 46.400 32.352 44.290 1.00 0.00 H +ATOM 3013 CB ARG 202 46.120 31.080 46.070 1.00 0.00 C +ATOM 3014 HB1 ARG 202 45.640 30.078 46.070 1.00 0.00 H +ATOM 3015 HB2 ARG 202 47.032 30.910 46.682 1.00 0.00 H +ATOM 3016 CG ARG 202 45.240 32.030 46.890 1.00 0.00 C +ATOM 3017 HG1 ARG 202 44.372 32.410 46.310 1.00 0.00 H +ATOM 3018 HG2 ARG 202 44.880 31.500 47.798 1.00 0.00 H +ATOM 3019 CD ARG 202 46.170 33.170 47.430 1.00 0.00 C +ATOM 3020 HD1 ARG 202 47.156 32.782 47.768 1.00 0.00 H +ATOM 3021 HD2 ARG 202 46.420 33.850 46.588 1.00 0.00 H +ATOM 3022 NE ARG 202 45.520 33.960 48.480 1.00 0.00 N +ATOM 3023 HE ARG 202 44.548 33.850 48.688 1.00 0.00 H +ATOM 3024 CZ ARG 202 46.210 34.760 49.260 1.00 0.00 C +ATOM 3025 NH1 ARG 202 47.430 35.130 48.910 1.00 0.00 N +ATOM 3026 1HH1 ARG 202 47.904 34.798 48.094 1.00 0.00 H +ATOM 3027 2HH1 ARG 202 47.980 35.700 49.520 1.00 0.00 H +ATOM 3028 NH2 ARG 202 45.650 35.220 50.350 1.00 0.00 N +ATOM 3029 1HH2 ARG 202 44.880 34.670 50.670 1.00 0.00 H +ATOM 3030 2HH2 ARG 202 46.028 35.976 50.886 1.00 0.00 H +ATOM 3031 C ARG 202 47.320 30.430 44.000 1.00 0.00 C +ATOM 3032 O ARG 202 47.040 29.260 43.830 1.00 0.00 O +ATOM 3033 N LEU 203 48.610 30.930 43.890 1.00 0.00 N +ATOM 3034 HN LEU 203 48.770 31.912 43.940 1.00 0.00 H +ATOM 3035 CA LEU 203 49.760 30.020 43.690 1.00 0.00 C +ATOM 3036 HA LEU 203 49.452 29.124 43.172 1.00 0.00 H +ATOM 3037 CB LEU 203 50.880 30.690 42.830 1.00 0.00 C +ATOM 3038 HB1 LEU 203 51.348 31.576 43.308 1.00 0.00 H +ATOM 3039 HB2 LEU 203 51.760 30.010 42.850 1.00 0.00 H +ATOM 3040 CG LEU 203 50.400 30.950 41.390 1.00 0.00 C +ATOM 3041 HG LEU 203 49.522 31.628 41.340 1.00 0.00 H +ATOM 3042 CD1 LEU 203 51.500 31.630 40.670 1.00 0.00 C +ATOM 3043 1HD1 LEU 203 52.468 31.090 40.750 1.00 0.00 H +ATOM 3044 2HD1 LEU 203 51.262 31.610 39.584 1.00 0.00 H +ATOM 3045 3HD1 LEU 203 51.650 32.624 41.142 1.00 0.00 H +ATOM 3046 CD2 LEU 203 50.010 29.690 40.600 1.00 0.00 C +ATOM 3047 1HD2 LEU 203 49.920 29.920 39.516 1.00 0.00 H +ATOM 3048 2HD2 LEU 203 50.852 28.988 40.780 1.00 0.00 H +ATOM 3049 3HD2 LEU 203 49.064 29.268 41.002 1.00 0.00 H +ATOM 3050 C LEU 203 50.350 29.780 45.190 1.00 0.00 C +ATOM 3051 O LEU 203 50.210 30.620 46.070 1.00 0.00 O +ATOM 3052 N TYR 204 51.020 28.630 45.450 1.00 0.00 N +ATOM 3053 HN TYR 204 51.218 27.984 44.716 1.00 0.00 H +ATOM 3054 CA TYR 204 51.640 28.350 46.720 1.00 0.00 C +ATOM 3055 HA TYR 204 51.268 29.004 47.494 1.00 0.00 H +ATOM 3056 CB TYR 204 51.250 26.950 47.200 1.00 0.00 C +ATOM 3057 HB1 TYR 204 50.146 26.860 47.280 1.00 0.00 H +ATOM 3058 HB2 TYR 204 51.648 26.232 46.452 1.00 0.00 H +ATOM 3059 CG TYR 204 51.710 26.510 48.520 1.00 0.00 C +ATOM 3060 CD1 TYR 204 51.200 27.110 49.640 1.00 0.00 C +ATOM 3061 HD1 TYR 204 50.540 27.960 49.560 1.00 0.00 H +ATOM 3062 CE1 TYR 204 51.560 26.690 50.970 1.00 0.00 C +ATOM 3063 HE1 TYR 204 51.092 27.288 51.738 1.00 0.00 H +ATOM 3064 CZ TYR 204 52.370 25.540 51.040 1.00 0.00 C +ATOM 3065 OH TYR 204 52.700 25.080 52.290 1.00 0.00 O +ATOM 3066 HH TYR 204 52.580 25.846 52.856 1.00 0.00 H +ATOM 3067 CD2 TYR 204 52.410 25.360 48.650 1.00 0.00 C +ATOM 3068 HD2 TYR 204 52.590 24.832 47.724 1.00 0.00 H +ATOM 3069 CE2 TYR 204 52.770 24.870 49.900 1.00 0.00 C +ATOM 3070 HE2 TYR 204 53.512 24.108 50.090 1.00 0.00 H +ATOM 3071 C TYR 204 53.130 28.620 46.770 1.00 0.00 C +ATOM 3072 O TYR 204 53.960 27.680 46.750 1.00 0.00 O +ATOM 3073 N VAL 205 53.510 29.910 46.810 1.00 0.00 N +ATOM 3074 HN VAL 205 52.806 30.592 46.990 1.00 0.00 H +ATOM 3075 CA VAL 205 54.890 30.340 46.630 1.00 0.00 C +ATOM 3076 HA VAL 205 55.510 29.470 46.780 1.00 0.00 H +ATOM 3077 CB VAL 205 55.300 30.710 45.210 1.00 0.00 C +ATOM 3078 HB VAL 205 56.312 31.162 45.140 1.00 0.00 H +ATOM 3079 CG1 VAL 205 55.340 29.430 44.370 1.00 0.00 C +ATOM 3080 1HG1 VAL 205 55.790 29.620 43.372 1.00 0.00 H +ATOM 3081 2HG1 VAL 205 55.878 28.562 44.808 1.00 0.00 H +ATOM 3082 3HG1 VAL 205 54.282 29.130 44.210 1.00 0.00 H +ATOM 3083 CG2 VAL 205 54.350 31.770 44.610 1.00 0.00 C +ATOM 3084 1HG2 VAL 205 53.284 31.528 44.802 1.00 0.00 H +ATOM 3085 2HG2 VAL 205 54.520 32.796 45.002 1.00 0.00 H +ATOM 3086 3HG2 VAL 205 54.580 31.960 43.540 1.00 0.00 H +ATOM 3087 C VAL 205 55.410 31.410 47.550 1.00 0.00 C +ATOM 3088 O VAL 205 54.830 32.430 47.770 1.00 0.00 O +ATOM 3089 N SER 206 56.620 31.150 48.140 1.00 0.00 N +ATOM 3090 HN SER 206 57.074 30.264 48.170 1.00 0.00 H +ATOM 3091 CA SER 206 57.410 32.260 48.730 1.00 0.00 C +ATOM 3092 HA SER 206 58.360 31.810 48.980 1.00 0.00 H +ATOM 3093 CB SER 206 57.870 33.310 47.690 1.00 0.00 C +ATOM 3094 HB1 SER 206 56.986 33.906 47.372 1.00 0.00 H +ATOM 3095 HB2 SER 206 58.610 34.000 48.150 1.00 0.00 H +ATOM 3096 OG SER 206 58.440 32.630 46.540 1.00 0.00 O +ATOM 3097 HG1 SER 206 59.290 32.230 46.740 1.00 0.00 H +ATOM 3098 C SER 206 56.910 32.910 50.010 1.00 0.00 C +ATOM 3099 O SER 206 57.430 33.880 50.560 1.00 0.00 O +ATOM 3100 N GLY 207 55.770 32.410 50.590 1.00 0.00 N +ATOM 3101 HN GLY 207 55.480 31.580 50.120 1.00 0.00 H +ATOM 3102 CA GLY 207 54.930 33.130 51.580 1.00 0.00 C +ATOM 3103 HA1 GLY 207 54.104 32.492 51.858 1.00 0.00 H +ATOM 3104 HA2 GLY 207 55.562 33.452 52.394 1.00 0.00 H +ATOM 3105 C GLY 207 54.290 34.390 51.110 1.00 0.00 C +ATOM 3106 O GLY 207 54.090 35.310 51.850 1.00 0.00 O +ATOM 3107 N ARG 208 53.950 34.390 49.820 1.00 0.00 N +ATOM 3108 HN ARG 208 54.332 33.676 49.238 1.00 0.00 H +ATOM 3109 CA ARG 208 53.380 35.560 49.150 1.00 0.00 C +ATOM 3110 HA ARG 208 52.960 36.268 49.848 1.00 0.00 H +ATOM 3111 CB ARG 208 54.320 36.170 48.040 1.00 0.00 C +ATOM 3112 HB1 ARG 208 54.450 35.502 47.162 1.00 0.00 H +ATOM 3113 HB2 ARG 208 53.752 37.018 47.602 1.00 0.00 H +ATOM 3114 CG ARG 208 55.700 36.550 48.570 1.00 0.00 C +ATOM 3115 HG1 ARG 208 55.520 37.000 49.570 1.00 0.00 H +ATOM 3116 HG2 ARG 208 56.240 35.660 48.960 1.00 0.00 H +ATOM 3117 CD ARG 208 56.740 37.290 47.720 1.00 0.00 C +ATOM 3118 HD1 ARG 208 57.676 37.452 48.294 1.00 0.00 H +ATOM 3119 HD2 ARG 208 56.840 36.682 46.794 1.00 0.00 H +ATOM 3120 NE ARG 208 56.170 38.590 47.390 1.00 0.00 N +ATOM 3121 HE ARG 208 55.194 38.770 47.520 1.00 0.00 H +ATOM 3122 CZ ARG 208 56.870 39.560 46.830 1.00 0.00 C +ATOM 3123 NH1 ARG 208 58.110 39.450 46.500 1.00 0.00 N +ATOM 3124 1HH1 ARG 208 58.530 38.550 46.620 1.00 0.00 H +ATOM 3125 2HH1 ARG 208 58.700 40.232 46.300 1.00 0.00 H +ATOM 3126 NH2 ARG 208 56.290 40.750 46.590 1.00 0.00 N +ATOM 3127 1HH2 ARG 208 55.340 40.940 46.840 1.00 0.00 H +ATOM 3128 2HH2 ARG 208 56.860 41.520 46.300 1.00 0.00 H +ATOM 3129 C ARG 208 52.150 35.140 48.450 1.00 0.00 C +ATOM 3130 O ARG 208 51.260 35.940 48.180 1.00 0.00 O +ATOM 3131 N ASP 209 52.020 33.820 48.130 1.00 0.00 N +ATOM 3132 HN ASP 209 52.658 33.122 48.448 1.00 0.00 H +ATOM 3133 CA ASP 209 50.900 33.230 47.420 1.00 0.00 C +ATOM 3134 HA ASP 209 51.482 32.558 46.808 1.00 0.00 H +ATOM 3135 CB ASP 209 49.880 32.450 48.350 1.00 0.00 C +ATOM 3136 HB1 ASP 209 49.498 33.212 49.062 1.00 0.00 H +ATOM 3137 HB2 ASP 209 49.056 31.998 47.758 1.00 0.00 H +ATOM 3138 CG ASP 209 50.590 31.360 49.070 1.00 0.00 C +ATOM 3139 OD1 ASP 209 51.820 31.120 48.960 1.00 0.00 O +ATOM 3140 OD2 ASP 209 49.870 30.640 49.830 1.00 0.00 O +ATOM 3141 C ASP 209 50.140 34.070 46.370 1.00 0.00 C +ATOM 3142 O ASP 209 48.980 34.340 46.650 1.00 0.00 O +ATOM 3143 N PRO 210 50.650 34.640 45.240 1.00 0.00 N +ATOM 3144 CD PRO 210 52.020 34.530 44.840 1.00 0.00 C +ATOM 3145 HD1 PRO 210 52.400 33.498 44.990 1.00 0.00 H +ATOM 3146 HD2 PRO 210 52.610 35.300 45.380 1.00 0.00 H +ATOM 3147 CA PRO 210 49.910 35.430 44.360 1.00 0.00 C +ATOM 3148 HA PRO 210 49.560 36.320 44.860 1.00 0.00 H +ATOM 3149 CB PRO 210 50.920 35.980 43.370 1.00 0.00 C +ATOM 3150 HB1 PRO 210 50.390 36.170 42.412 1.00 0.00 H +ATOM 3151 HB2 PRO 210 51.250 36.930 43.840 1.00 0.00 H +ATOM 3152 CG PRO 210 51.990 34.910 43.410 1.00 0.00 C +ATOM 3153 HG1 PRO 210 51.760 34.022 42.782 1.00 0.00 H +ATOM 3154 HG2 PRO 210 52.980 35.370 43.200 1.00 0.00 H +ATOM 3155 C PRO 210 48.680 34.850 43.720 1.00 0.00 C +ATOM 3156 O PRO 210 48.520 33.630 43.690 1.00 0.00 O +ATOM 3157 N GLY 211 47.630 35.660 43.350 1.00 0.00 N +ATOM 3158 HN GLY 211 47.800 36.642 43.360 1.00 0.00 H +ATOM 3159 CA GLY 211 46.360 35.070 42.890 1.00 0.00 C +ATOM 3160 HA1 GLY 211 46.420 34.038 42.580 1.00 0.00 H +ATOM 3161 HA2 GLY 211 45.802 35.090 43.816 1.00 0.00 H +ATOM 3162 C GLY 211 45.490 35.910 41.900 1.00 0.00 C +ATOM 3163 O GLY 211 45.920 36.990 41.410 1.00 0.00 O +ATOM 3164 N LEU 212 44.250 35.430 41.610 1.00 0.00 N +ATOM 3165 HN LEU 212 43.998 34.544 41.992 1.00 0.00 H +ATOM 3166 CA LEU 212 43.350 36.100 40.790 1.00 0.00 C +ATOM 3167 HA LEU 212 43.470 37.156 40.980 1.00 0.00 H +ATOM 3168 CB LEU 212 43.680 35.750 39.290 1.00 0.00 C +ATOM 3169 HB1 LEU 212 42.978 36.272 38.608 1.00 0.00 H +ATOM 3170 HB2 LEU 212 44.706 36.178 39.270 1.00 0.00 H +ATOM 3171 CG LEU 212 43.840 34.310 38.840 1.00 0.00 C +ATOM 3172 HG LEU 212 44.350 33.658 39.582 1.00 0.00 H +ATOM 3173 CD1 LEU 212 42.400 33.620 38.620 1.00 0.00 C +ATOM 3174 1HD1 LEU 212 42.780 32.728 38.078 1.00 0.00 H +ATOM 3175 2HD1 LEU 212 42.040 33.340 39.632 1.00 0.00 H +ATOM 3176 3HD1 LEU 212 41.668 34.232 38.048 1.00 0.00 H +ATOM 3177 CD2 LEU 212 44.680 34.280 37.530 1.00 0.00 C +ATOM 3178 1HD2 LEU 212 44.220 34.740 36.630 1.00 0.00 H +ATOM 3179 2HD2 LEU 212 45.578 34.908 37.720 1.00 0.00 H +ATOM 3180 3HD2 LEU 212 45.098 33.264 37.370 1.00 0.00 H +ATOM 3181 C LEU 212 41.930 35.680 41.160 1.00 0.00 C +ATOM 3182 O LEU 212 41.750 34.640 41.770 1.00 0.00 O +ATOM 3183 N THR 213 40.850 36.380 40.670 1.00 0.00 N +ATOM 3184 HN THR 213 41.020 37.220 40.160 1.00 0.00 H +ATOM 3185 CA THR 213 39.470 35.870 40.660 1.00 0.00 C +ATOM 3186 HA THR 213 39.360 34.906 41.132 1.00 0.00 H +ATOM 3187 CB THR 213 38.400 36.760 41.260 1.00 0.00 C +ATOM 3188 HB THR 213 37.412 36.252 41.220 1.00 0.00 H +ATOM 3189 OG1 THR 213 38.290 38.030 40.620 1.00 0.00 O +ATOM 3190 HG1 THR 213 39.168 38.408 40.710 1.00 0.00 H +ATOM 3191 CG2 THR 213 38.660 37.030 42.780 1.00 0.00 C +ATOM 3192 1HG2 THR 213 38.650 36.038 43.280 1.00 0.00 H +ATOM 3193 2HG2 THR 213 39.644 37.538 42.870 1.00 0.00 H +ATOM 3194 3HG2 THR 213 37.900 37.710 43.220 1.00 0.00 H +ATOM 3195 C THR 213 39.130 35.620 39.170 1.00 0.00 C +ATOM 3196 O THR 213 39.770 36.190 38.260 1.00 0.00 O +ATOM 3197 N PHE 214 38.110 34.710 38.990 1.00 0.00 N +ATOM 3198 HN PHE 214 37.508 34.428 39.732 1.00 0.00 H +ATOM 3199 CA PHE 214 37.850 34.140 37.660 1.00 0.00 C +ATOM 3200 HA PHE 214 37.800 34.996 37.002 1.00 0.00 H +ATOM 3201 CB PHE 214 38.890 33.110 37.150 1.00 0.00 C +ATOM 3202 HB1 PHE 214 38.678 32.930 36.074 1.00 0.00 H +ATOM 3203 HB2 PHE 214 39.930 33.500 37.200 1.00 0.00 H +ATOM 3204 CG PHE 214 38.930 31.730 37.810 1.00 0.00 C +ATOM 3205 CD1 PHE 214 39.060 31.680 39.180 1.00 0.00 C +ATOM 3206 HD1 PHE 214 39.272 32.616 39.674 1.00 0.00 H +ATOM 3207 CE1 PHE 214 39.240 30.480 39.900 1.00 0.00 C +ATOM 3208 HE1 PHE 214 39.430 30.480 40.962 1.00 0.00 H +ATOM 3209 CZ PHE 214 39.260 29.280 39.220 1.00 0.00 C +ATOM 3210 HZ PHE 214 39.320 28.412 39.860 1.00 0.00 H +ATOM 3211 CD2 PHE 214 39.000 30.420 37.130 1.00 0.00 C +ATOM 3212 HD2 PHE 214 39.120 30.470 36.058 1.00 0.00 H +ATOM 3213 CE2 PHE 214 39.120 29.230 37.840 1.00 0.00 C +ATOM 3214 HE2 PHE 214 39.200 28.270 37.350 1.00 0.00 H +ATOM 3215 C PHE 214 36.460 33.550 37.910 1.00 0.00 C +ATOM 3216 O PHE 214 36.040 33.210 39.010 1.00 0.00 O +ATOM 3217 N GLY 215 35.710 33.350 36.770 1.00 0.00 N +ATOM 3218 HN GLY 215 36.148 33.400 35.876 1.00 0.00 H +ATOM 3219 CA GLY 215 34.270 33.080 36.740 1.00 0.00 C +ATOM 3220 HA1 GLY 215 34.070 32.680 37.722 1.00 0.00 H +ATOM 3221 HA2 GLY 215 33.802 34.018 36.480 1.00 0.00 H +ATOM 3222 C GLY 215 33.930 32.160 35.660 1.00 0.00 C +ATOM 3223 O GLY 215 34.650 32.080 34.690 1.00 0.00 O +ATOM 3224 N ILE 216 32.810 31.420 35.820 1.00 0.00 N +ATOM 3225 HN ILE 216 32.312 31.320 36.678 1.00 0.00 H +ATOM 3226 CA ILE 216 32.280 30.490 34.770 1.00 0.00 C +ATOM 3227 HA ILE 216 32.822 30.640 33.848 1.00 0.00 H +ATOM 3228 CB ILE 216 32.360 29.040 35.220 1.00 0.00 C +ATOM 3229 HB ILE 216 31.990 28.930 36.262 1.00 0.00 H +ATOM 3230 CG2 ILE 216 31.550 28.210 34.220 1.00 0.00 C +ATOM 3231 1HG2 ILE 216 31.858 28.478 33.186 1.00 0.00 H +ATOM 3232 2HG2 ILE 216 31.710 27.132 34.440 1.00 0.00 H +ATOM 3233 3HG2 ILE 216 30.468 28.440 34.310 1.00 0.00 H +ATOM 3234 CG1 ILE 216 33.840 28.680 35.230 1.00 0.00 C +ATOM 3235 1HG1 ILE 216 34.238 28.580 34.196 1.00 0.00 H +ATOM 3236 2HG1 ILE 216 34.302 29.434 35.902 1.00 0.00 H +ATOM 3237 CD ILE 216 34.060 27.320 35.900 1.00 0.00 C +ATOM 3238 HD1 ILE 216 33.670 27.370 36.940 1.00 0.00 H +ATOM 3239 HD2 ILE 216 33.592 26.474 35.352 1.00 0.00 H +ATOM 3240 HD3 ILE 216 35.118 27.010 36.030 1.00 0.00 H +ATOM 3241 C ILE 216 30.820 31.010 34.670 1.00 0.00 C +ATOM 3242 O ILE 216 30.230 31.200 35.720 1.00 0.00 O +ATOM 3243 N ARG 217 30.260 31.130 33.430 1.00 0.00 N +ATOM 3244 HN ARG 217 30.822 31.170 32.608 1.00 0.00 H +ATOM 3245 CA ARG 217 28.800 31.390 33.280 1.00 0.00 C +ATOM 3246 HA ARG 217 28.298 30.998 34.152 1.00 0.00 H +ATOM 3247 CB ARG 217 28.570 32.900 33.320 1.00 0.00 C +ATOM 3248 HB1 ARG 217 27.504 32.990 33.620 1.00 0.00 H +ATOM 3249 HB2 ARG 217 29.170 33.210 34.202 1.00 0.00 H +ATOM 3250 CG ARG 217 29.000 33.730 32.120 1.00 0.00 C +ATOM 3251 HG1 ARG 217 30.002 33.350 31.830 1.00 0.00 H +ATOM 3252 HG2 ARG 217 28.322 33.570 31.254 1.00 0.00 H +ATOM 3253 CD ARG 217 29.000 35.280 32.280 1.00 0.00 C +ATOM 3254 HD1 ARG 217 27.984 35.572 32.622 1.00 0.00 H +ATOM 3255 HD2 ARG 217 29.782 35.520 33.032 1.00 0.00 H +ATOM 3256 NE ARG 217 29.280 35.940 30.960 1.00 0.00 N +ATOM 3257 HE ARG 217 29.390 35.372 30.144 1.00 0.00 H +ATOM 3258 CZ ARG 217 29.800 37.170 30.910 1.00 0.00 C +ATOM 3259 NH1 ARG 217 29.840 37.940 32.020 1.00 0.00 N +ATOM 3260 1HH1 ARG 217 29.142 37.930 32.738 1.00 0.00 H +ATOM 3261 2HH1 ARG 217 30.536 38.656 32.090 1.00 0.00 H +ATOM 3262 NH2 ARG 217 30.500 37.520 29.860 1.00 0.00 N +ATOM 3263 1HH2 ARG 217 30.610 36.908 29.078 1.00 0.00 H +ATOM 3264 2HH2 ARG 217 30.770 38.478 29.770 1.00 0.00 H +ATOM 3265 C ARG 217 28.250 30.780 32.040 1.00 0.00 C +ATOM 3266 O ARG 217 29.000 30.600 31.090 1.00 0.00 O +ATOM 3267 N LEU 218 26.970 30.320 32.030 1.00 0.00 N +ATOM 3268 HN LEU 218 26.402 30.510 32.828 1.00 0.00 H +ATOM 3269 CA LEU 218 26.190 29.650 30.910 1.00 0.00 C +ATOM 3270 HA LEU 218 26.906 28.984 30.452 1.00 0.00 H +ATOM 3271 CB LEU 218 24.970 28.850 31.600 1.00 0.00 C +ATOM 3272 HB1 LEU 218 25.470 28.110 32.260 1.00 0.00 H +ATOM 3273 HB2 LEU 218 24.344 29.596 32.134 1.00 0.00 H +ATOM 3274 CG LEU 218 24.180 28.040 30.570 1.00 0.00 C +ATOM 3275 HG LEU 218 23.890 28.708 29.732 1.00 0.00 H +ATOM 3276 CD1 LEU 218 25.180 26.990 29.980 1.00 0.00 C +ATOM 3277 1HD1 LEU 218 25.972 27.560 29.450 1.00 0.00 H +ATOM 3278 2HD1 LEU 218 25.640 26.430 30.820 1.00 0.00 H +ATOM 3279 3HD1 LEU 218 24.784 26.356 29.158 1.00 0.00 H +ATOM 3280 CD2 LEU 218 22.930 27.330 31.030 1.00 0.00 C +ATOM 3281 1HD2 LEU 218 22.442 26.682 30.272 1.00 0.00 H +ATOM 3282 2HD2 LEU 218 23.200 26.620 31.840 1.00 0.00 H +ATOM 3283 3HD2 LEU 218 22.160 28.010 31.450 1.00 0.00 H +ATOM 3284 C LEU 218 25.610 30.700 29.960 1.00 0.00 C +ATOM 3285 O LEU 218 25.060 31.690 30.460 1.00 0.00 O +ATOM 3286 N ARG 219 25.640 30.450 28.640 1.00 0.00 N +ATOM 3287 HN ARG 219 26.150 29.672 28.280 1.00 0.00 H +ATOM 3288 CA ARG 219 24.760 31.160 27.720 1.00 0.00 C +ATOM 3289 HA ARG 219 23.906 31.452 28.312 1.00 0.00 H +ATOM 3290 CB ARG 219 25.520 32.310 27.020 1.00 0.00 C +ATOM 3291 HB1 ARG 219 26.436 31.892 26.552 1.00 0.00 H +ATOM 3292 HB2 ARG 219 25.002 32.788 26.162 1.00 0.00 H +ATOM 3293 CG ARG 219 25.970 33.540 27.850 1.00 0.00 C +ATOM 3294 HG1 ARG 219 26.470 33.140 28.758 1.00 0.00 H +ATOM 3295 HG2 ARG 219 26.752 34.132 27.328 1.00 0.00 H +ATOM 3296 CD ARG 219 24.840 34.480 28.300 1.00 0.00 C +ATOM 3297 HD1 ARG 219 24.388 34.974 27.414 1.00 0.00 H +ATOM 3298 HD2 ARG 219 24.168 33.838 28.910 1.00 0.00 H +ATOM 3299 NE ARG 219 25.550 35.480 29.140 1.00 0.00 N +ATOM 3300 HE ARG 219 25.730 36.356 28.692 1.00 0.00 H +ATOM 3301 CZ ARG 219 25.390 35.530 30.430 1.00 0.00 C +ATOM 3302 NH1 ARG 219 25.160 34.440 31.130 1.00 0.00 N +ATOM 3303 1HH1 ARG 219 25.240 33.554 30.676 1.00 0.00 H +ATOM 3304 2HH1 ARG 219 24.910 34.400 32.098 1.00 0.00 H +ATOM 3305 NH2 ARG 219 25.440 36.710 31.000 1.00 0.00 N +ATOM 3306 1HH2 ARG 219 25.790 37.470 30.450 1.00 0.00 H +ATOM 3307 2HH2 ARG 219 25.200 36.910 31.950 1.00 0.00 H +ATOM 3308 C ARG 219 24.170 30.170 26.760 1.00 0.00 C +ATOM 3309 O ARG 219 24.790 29.150 26.520 1.00 0.00 O +ATOM 3310 N TYR 220 22.970 30.340 26.230 1.00 0.00 N +ATOM 3311 HN TYR 220 22.426 31.114 26.542 1.00 0.00 H +ATOM 3312 CA TYR 220 22.390 29.340 25.330 1.00 0.00 C +ATOM 3313 HA TYR 220 23.152 28.990 24.648 1.00 0.00 H +ATOM 3314 CB TYR 220 21.740 28.140 26.160 1.00 0.00 C +ATOM 3315 HB1 TYR 220 21.430 27.352 25.442 1.00 0.00 H +ATOM 3316 HB2 TYR 220 22.514 27.698 26.824 1.00 0.00 H +ATOM 3317 CG TYR 220 20.510 28.620 26.990 1.00 0.00 C +ATOM 3318 CD1 TYR 220 20.680 28.820 28.400 1.00 0.00 C +ATOM 3319 HD1 TYR 220 21.584 28.568 28.932 1.00 0.00 H +ATOM 3320 CE1 TYR 220 19.590 29.280 29.140 1.00 0.00 C +ATOM 3321 HE1 TYR 220 19.780 29.530 30.172 1.00 0.00 H +ATOM 3322 CZ TYR 220 18.380 29.540 28.530 1.00 0.00 C +ATOM 3323 OH TYR 220 17.340 30.050 29.350 1.00 0.00 O +ATOM 3324 HH TYR 220 17.662 30.232 30.236 1.00 0.00 H +ATOM 3325 CD2 TYR 220 19.260 28.840 26.350 1.00 0.00 C +ATOM 3326 HD2 TYR 220 19.080 28.670 25.298 1.00 0.00 H +ATOM 3327 CE2 TYR 220 18.190 29.180 27.180 1.00 0.00 C +ATOM 3328 HE2 TYR 220 17.244 29.290 26.672 1.00 0.00 H +ATOM 3329 C TYR 220 21.410 30.140 24.350 1.00 0.00 C +ATOM 3330 O TYR 220 20.890 31.210 24.600 1.00 0.00 O +ATOM 3331 N GLN 221 21.260 29.510 23.170 1.00 0.00 N +ATOM 3332 HN GLN 221 21.762 28.716 22.838 1.00 0.00 H +ATOM 3333 CA GLN 221 20.530 30.200 22.140 1.00 0.00 C +ATOM 3334 HA GLN 221 19.698 30.752 22.552 1.00 0.00 H +ATOM 3335 CB GLN 221 21.370 31.080 21.160 1.00 0.00 C +ATOM 3336 HB1 GLN 221 20.660 31.570 20.460 1.00 0.00 H +ATOM 3337 HB2 GLN 221 21.800 31.862 21.822 1.00 0.00 H +ATOM 3338 CG GLN 221 22.600 30.500 20.470 1.00 0.00 C +ATOM 3339 HG1 GLN 221 23.118 29.872 21.226 1.00 0.00 H +ATOM 3340 HG2 GLN 221 22.430 29.792 19.632 1.00 0.00 H +ATOM 3341 CD GLN 221 23.570 31.630 19.970 1.00 0.00 C +ATOM 3342 OE1 GLN 221 23.170 32.500 19.160 1.00 0.00 O +ATOM 3343 NE2 GLN 221 24.820 31.580 20.360 1.00 0.00 N +ATOM 3344 1HE2 GLN 221 25.118 30.984 21.106 1.00 0.00 H +ATOM 3345 2HE2 GLN 221 25.470 32.250 20.000 1.00 0.00 H +ATOM 3346 C GLN 221 19.910 29.110 21.370 1.00 0.00 C +ATOM 3347 O GLN 221 20.490 27.980 21.240 1.00 0.00 O +ATOM 3348 N ASN 222 18.790 29.480 20.750 1.00 0.00 N +ATOM 3349 HN ASN 222 18.622 30.464 20.760 1.00 0.00 H +ATOM 3350 CA ASN 222 17.940 28.600 19.890 1.00 0.00 C +ATOM 3351 HA ASN 222 17.650 27.722 20.448 1.00 0.00 H +ATOM 3352 CB ASN 222 16.670 29.380 19.420 1.00 0.00 C +ATOM 3353 HB1 ASN 222 16.990 30.350 18.980 1.00 0.00 H +ATOM 3354 HB2 ASN 222 16.088 28.808 18.668 1.00 0.00 H +ATOM 3355 CG ASN 222 15.810 29.700 20.680 1.00 0.00 C +ATOM 3356 OD1 ASN 222 15.720 28.880 21.600 1.00 0.00 O +ATOM 3357 ND2 ASN 222 15.290 30.910 20.770 1.00 0.00 N +ATOM 3358 1HD2 ASN 222 15.520 31.552 20.038 1.00 0.00 H +ATOM 3359 2HD2 ASN 222 14.684 31.088 21.546 1.00 0.00 H +ATOM 3360 C ASN 222 18.650 28.070 18.640 1.00 0.00 C +ATOM 3361 O ASN 222 19.500 28.720 18.080 1.00 0.00 O +ATOM 3362 N LEU 223 18.160 26.900 18.030 1.00 0.00 N +ATOM 3363 HN LEU 223 17.398 26.348 18.360 1.00 0.00 H +ATOM 3364 CA LEU 223 18.660 26.390 16.730 1.00 0.00 C +ATOM 3365 HA LEU 223 19.192 27.164 16.198 1.00 0.00 H +ATOM 3366 CB LEU 223 19.480 25.140 16.780 1.00 0.00 C +ATOM 3367 HB1 LEU 223 18.928 24.468 17.472 1.00 0.00 H +ATOM 3368 HB2 LEU 223 19.540 24.542 15.844 1.00 0.00 H +ATOM 3369 CG LEU 223 20.900 25.300 17.330 1.00 0.00 C +ATOM 3370 HG LEU 223 20.880 26.022 18.174 1.00 0.00 H +ATOM 3371 CD1 LEU 223 21.620 23.990 17.830 1.00 0.00 C +ATOM 3372 1HD1 LEU 223 20.838 23.518 18.462 1.00 0.00 H +ATOM 3373 2HD1 LEU 223 21.930 23.320 17.000 1.00 0.00 H +ATOM 3374 3HD1 LEU 223 22.548 24.220 18.398 1.00 0.00 H +ATOM 3375 CD2 LEU 223 21.780 25.980 16.290 1.00 0.00 C +ATOM 3376 1HD2 LEU 223 21.228 26.802 15.788 1.00 0.00 H +ATOM 3377 2HD2 LEU 223 22.630 26.520 16.760 1.00 0.00 H +ATOM 3378 3HD2 LEU 223 22.080 25.320 15.448 1.00 0.00 H +ATOM 3379 C LEU 223 17.400 26.050 16.030 1.00 0.00 C +ATOM 3380 O LEU 223 16.330 25.990 16.660 1.00 0.00 O +ATOM 3381 N GLY 224 17.580 25.860 14.680 1.00 0.00 N +ATOM 3382 HN GLY 224 18.468 26.010 14.252 1.00 0.00 H +ATOM 3383 CA GLY 224 16.520 25.540 13.660 1.00 0.00 C +ATOM 3384 HA1 GLY 224 16.908 25.868 12.706 1.00 0.00 H +ATOM 3385 HA2 GLY 224 16.550 24.462 13.620 1.00 0.00 H +ATOM 3386 C GLY 224 15.120 26.120 13.940 1.00 0.00 C +ATOM 3387 O GLY 224 15.120 27.320 14.030 1.00 0.00 O +ATOM 3388 N PRO 225 13.960 25.380 13.950 1.00 0.00 N +ATOM 3389 CD PRO 225 13.830 23.990 13.600 1.00 0.00 C +ATOM 3390 HD1 PRO 225 14.112 23.396 14.496 1.00 0.00 H +ATOM 3391 HD2 PRO 225 14.498 23.760 12.742 1.00 0.00 H +ATOM 3392 CA PRO 225 12.700 26.130 13.800 1.00 0.00 C +ATOM 3393 HA PRO 225 12.820 26.760 12.930 1.00 0.00 H +ATOM 3394 CB PRO 225 11.640 25.040 13.820 1.00 0.00 C +ATOM 3395 HB1 PRO 225 11.430 24.800 14.884 1.00 0.00 H +ATOM 3396 HB2 PRO 225 10.772 25.260 13.162 1.00 0.00 H +ATOM 3397 CG PRO 225 12.340 23.810 13.170 1.00 0.00 C +ATOM 3398 HG1 PRO 225 11.780 22.872 13.370 1.00 0.00 H +ATOM 3399 HG2 PRO 225 12.320 24.070 12.090 1.00 0.00 H +ATOM 3400 C PRO 225 12.240 27.140 14.910 1.00 0.00 C +ATOM 3401 O PRO 225 11.190 27.660 14.730 1.00 0.00 O +ATOM 3402 N ARG 226 12.990 27.470 15.920 1.00 0.00 N +ATOM 3403 HN ARG 226 13.848 26.980 16.050 1.00 0.00 H +ATOM 3404 CA ARG 226 12.700 28.530 16.830 1.00 0.00 C +ATOM 3405 HA ARG 226 11.630 28.680 16.800 1.00 0.00 H +ATOM 3406 CB ARG 226 12.950 28.050 18.280 1.00 0.00 C +ATOM 3407 HB1 ARG 226 13.956 27.658 18.542 1.00 0.00 H +ATOM 3408 HB2 ARG 226 12.790 28.842 19.042 1.00 0.00 H +ATOM 3409 CG ARG 226 12.080 26.890 18.730 1.00 0.00 C +ATOM 3410 HG1 ARG 226 11.054 27.298 18.600 1.00 0.00 H +ATOM 3411 HG2 ARG 226 12.270 25.972 18.132 1.00 0.00 H +ATOM 3412 CD ARG 226 12.310 26.610 20.240 1.00 0.00 C +ATOM 3413 HD1 ARG 226 13.392 26.460 20.440 1.00 0.00 H +ATOM 3414 HD2 ARG 226 11.962 27.536 20.748 1.00 0.00 H +ATOM 3415 NE ARG 226 11.360 25.470 20.540 1.00 0.00 N +ATOM 3416 HE ARG 226 10.870 25.060 19.770 1.00 0.00 H +ATOM 3417 CZ ARG 226 10.950 25.040 21.740 1.00 0.00 C +ATOM 3418 NH1 ARG 226 11.260 25.580 22.870 1.00 0.00 N +ATOM 3419 1HH1 ARG 226 11.994 26.254 22.960 1.00 0.00 H +ATOM 3420 2HH1 ARG 226 11.000 25.082 23.698 1.00 0.00 H +ATOM 3421 NH2 ARG 226 10.200 23.930 21.790 1.00 0.00 N +ATOM 3422 1HH2 ARG 226 9.868 23.598 20.906 1.00 0.00 H +ATOM 3423 2HH2 ARG 226 10.250 23.468 22.674 1.00 0.00 H +ATOM 3424 C ARG 226 13.500 29.830 16.580 1.00 0.00 C +ATOM 3425 O ARG 226 13.360 30.800 17.380 1.00 0.00 O +ATOM 3426 N VAL 227 14.360 29.910 15.640 1.00 0.00 N +ATOM 3427 HN VAL 227 14.350 29.076 15.094 1.00 0.00 H +ATOM 3428 CA VAL 227 15.280 31.000 15.310 1.00 0.00 C +ATOM 3429 HA VAL 227 15.550 31.568 16.188 1.00 0.00 H +ATOM 3430 CB VAL 227 16.670 30.500 14.850 1.00 0.00 C +ATOM 3431 HB VAL 227 16.500 29.830 13.980 1.00 0.00 H +ATOM 3432 CG1 VAL 227 17.580 31.670 14.400 1.00 0.00 C +ATOM 3433 1HG1 VAL 227 17.928 32.326 15.226 1.00 0.00 H +ATOM 3434 2HG1 VAL 227 18.480 31.130 14.040 1.00 0.00 H +ATOM 3435 3HG1 VAL 227 17.192 32.288 13.562 1.00 0.00 H +ATOM 3436 CG2 VAL 227 17.290 29.630 15.930 1.00 0.00 C +ATOM 3437 1HG2 VAL 227 16.588 28.988 16.502 1.00 0.00 H +ATOM 3438 2HG2 VAL 227 17.978 28.872 15.500 1.00 0.00 H +ATOM 3439 3HG2 VAL 227 17.840 30.352 16.570 1.00 0.00 H +ATOM 3440 C VAL 227 14.660 31.990 14.240 1.00 0.00 C +ATOM 3441 O VAL 227 14.310 31.560 13.100 1.00 0.00 O +ATOM 3442 N PRO 228 14.390 33.300 14.530 1.00 0.00 N +ATOM 3443 CD PRO 228 14.600 33.970 15.810 1.00 0.00 C +ATOM 3444 HD1 PRO 228 15.580 34.490 15.740 1.00 0.00 H +ATOM 3445 HD2 PRO 228 14.620 33.286 16.684 1.00 0.00 H +ATOM 3446 CA PRO 228 13.470 33.990 13.640 1.00 0.00 C +ATOM 3447 HA PRO 228 12.672 33.292 13.430 1.00 0.00 H +ATOM 3448 CB PRO 228 13.200 35.290 14.470 1.00 0.00 C +ATOM 3449 HB1 PRO 228 13.892 36.112 14.190 1.00 0.00 H +ATOM 3450 HB2 PRO 228 12.164 35.642 14.278 1.00 0.00 H +ATOM 3451 CG PRO 228 13.390 34.890 15.880 1.00 0.00 C +ATOM 3452 HG1 PRO 228 13.550 35.688 16.638 1.00 0.00 H +ATOM 3453 HG2 PRO 228 12.590 34.230 16.280 1.00 0.00 H +ATOM 3454 C PRO 228 14.130 34.350 12.330 1.00 0.00 C +ATOM 3455 OT1 PRO 228 15.330 34.630 12.250 1.00 0.00 O +ATOM 3456 OT2 PRO 228 13.350 34.650 11.370 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1b25_D.pdb b/data/PDBs/1b25_D.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b0c3b283339aad7ddbb5f963f067d1a9479536e3 --- /dev/null +++ b/data/PDBs/1b25_D.pdb @@ -0,0 +1,9693 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 85.999 79.314 84.053 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N MET 1 23.710 50.640 61.810 1.00 0.00 N +ATOM 2 H1 MET 1 24.140 50.150 62.620 1.00 0.00 H +ATOM 3 H2 MET 1 24.030 51.612 61.630 1.00 0.00 H +ATOM 4 H3 MET 1 22.708 50.670 62.090 1.00 0.00 H +ATOM 5 CA MET 1 23.960 49.930 60.510 1.00 0.00 C +ATOM 6 HA MET 1 25.016 50.060 60.320 1.00 0.00 H +ATOM 7 CB MET 1 23.640 48.350 60.760 1.00 0.00 C +ATOM 8 HB1 MET 1 22.606 48.260 61.158 1.00 0.00 H +ATOM 9 HB2 MET 1 23.560 47.830 59.782 1.00 0.00 H +ATOM 10 CG MET 1 24.680 47.580 61.610 1.00 0.00 C +ATOM 11 HG1 MET 1 24.740 48.162 62.554 1.00 0.00 H +ATOM 12 HG2 MET 1 24.290 46.588 61.920 1.00 0.00 H +ATOM 13 SD MET 1 26.300 47.500 60.780 1.00 0.00 S +ATOM 14 CE MET 1 25.990 45.740 60.540 1.00 0.00 C +ATOM 15 HE1 MET 1 25.980 45.232 61.528 1.00 0.00 H +ATOM 16 HE2 MET 1 25.024 45.630 60.002 1.00 0.00 H +ATOM 17 HE3 MET 1 26.752 45.290 59.868 1.00 0.00 H +ATOM 18 C MET 1 23.340 50.380 59.190 1.00 0.00 C +ATOM 19 O MET 1 22.810 49.630 58.400 1.00 0.00 O +ATOM 20 N TYR 2 23.390 51.660 58.860 1.00 0.00 N +ATOM 21 HN TYR 2 23.818 52.266 59.526 1.00 0.00 H +ATOM 22 CA TYR 2 23.260 52.120 57.480 1.00 0.00 C +ATOM 23 HA TYR 2 22.332 51.650 57.190 1.00 0.00 H +ATOM 24 CB TYR 2 23.180 53.670 57.350 1.00 0.00 C +ATOM 25 HB1 TYR 2 24.048 54.080 57.910 1.00 0.00 H +ATOM 26 HB2 TYR 2 23.270 54.092 56.326 1.00 0.00 H +ATOM 27 CG TYR 2 21.860 54.090 58.060 1.00 0.00 C +ATOM 28 CD1 TYR 2 20.630 53.950 57.360 1.00 0.00 C +ATOM 29 HD1 TYR 2 20.570 53.550 56.358 1.00 0.00 H +ATOM 30 CE1 TYR 2 19.450 54.310 57.900 1.00 0.00 C +ATOM 31 HE1 TYR 2 18.548 53.938 57.438 1.00 0.00 H +ATOM 32 CZ TYR 2 19.390 54.920 59.150 1.00 0.00 C +ATOM 33 OH TYR 2 18.130 55.290 59.660 1.00 0.00 O +ATOM 34 HH TYR 2 17.416 55.052 59.064 1.00 0.00 H +ATOM 35 CD2 TYR 2 21.890 54.710 59.250 1.00 0.00 C +ATOM 36 HD2 TYR 2 22.852 54.980 59.660 1.00 0.00 H +ATOM 37 CE2 TYR 2 20.620 55.190 59.840 1.00 0.00 C +ATOM 38 HE2 TYR 2 20.620 55.732 60.774 1.00 0.00 H +ATOM 39 C TYR 2 24.430 51.730 56.660 1.00 0.00 C +ATOM 40 O TYR 2 25.460 51.560 57.280 1.00 0.00 O +ATOM 41 N GLY 3 24.370 51.400 55.300 1.00 0.00 N +ATOM 42 HN GLY 3 23.506 51.520 54.818 1.00 0.00 H +ATOM 43 CA GLY 3 25.470 50.810 54.510 1.00 0.00 C +ATOM 44 HA1 GLY 3 25.170 50.910 53.478 1.00 0.00 H +ATOM 45 HA2 GLY 3 26.316 51.398 54.838 1.00 0.00 H +ATOM 46 C GLY 3 25.860 49.430 54.730 1.00 0.00 C +ATOM 47 O GLY 3 26.630 48.840 54.030 1.00 0.00 O +ATOM 48 N TRP 4 25.160 48.780 55.620 1.00 0.00 N +ATOM 49 HN TRP 4 24.416 49.202 56.132 1.00 0.00 H +ATOM 50 CA TRP 4 25.160 47.340 55.860 1.00 0.00 C +ATOM 51 HA TRP 4 25.490 46.900 54.930 1.00 0.00 H +ATOM 52 CB TRP 4 26.080 47.000 57.000 1.00 0.00 C +ATOM 53 HB1 TRP 4 25.620 47.500 57.880 1.00 0.00 H +ATOM 54 HB2 TRP 4 26.080 45.922 57.270 1.00 0.00 H +ATOM 55 CG TRP 4 27.490 47.500 56.920 1.00 0.00 C +ATOM 56 CD1 TRP 4 28.430 46.960 56.080 1.00 0.00 C +ATOM 57 HD1 TRP 4 28.200 46.142 55.412 1.00 0.00 H +ATOM 58 NE1 TRP 4 29.600 47.650 56.220 1.00 0.00 N +ATOM 59 HE1 TRP 4 30.478 47.380 55.890 1.00 0.00 H +ATOM 60 CE2 TRP 4 29.460 48.670 57.150 1.00 0.00 C +ATOM 61 CD2 TRP 4 28.130 48.640 57.560 1.00 0.00 C +ATOM 62 CE3 TRP 4 27.650 49.640 58.400 1.00 0.00 C +ATOM 63 HE3 TRP 4 26.602 49.802 58.602 1.00 0.00 H +ATOM 64 CZ3 TRP 4 28.580 50.600 58.870 1.00 0.00 C +ATOM 65 HZ3 TRP 4 28.238 51.372 59.542 1.00 0.00 H +ATOM 66 CZ2 TRP 4 30.370 49.560 57.770 1.00 0.00 C +ATOM 67 HZ2 TRP 4 31.442 49.550 57.640 1.00 0.00 H +ATOM 68 CH2 TRP 4 29.880 50.560 58.600 1.00 0.00 C +ATOM 69 HH2 TRP 4 30.546 51.256 59.088 1.00 0.00 H +ATOM 70 C TRP 4 23.840 46.740 56.140 1.00 0.00 C +ATOM 71 O TRP 4 22.950 47.440 56.690 1.00 0.00 O +ATOM 72 N TRP 5 23.600 45.490 55.790 1.00 0.00 N +ATOM 73 HN TRP 5 24.240 44.990 55.210 1.00 0.00 H +ATOM 74 CA TRP 5 22.460 44.750 56.340 1.00 0.00 C +ATOM 75 HA TRP 5 21.664 45.444 56.562 1.00 0.00 H +ATOM 76 CB TRP 5 21.910 43.860 55.200 1.00 0.00 C +ATOM 77 HB1 TRP 5 22.796 43.232 54.962 1.00 0.00 H +ATOM 78 HB2 TRP 5 21.160 43.130 55.570 1.00 0.00 H +ATOM 79 CG TRP 5 21.370 44.540 53.920 1.00 0.00 C +ATOM 80 CD1 TRP 5 21.930 44.620 52.720 1.00 0.00 C +ATOM 81 HD1 TRP 5 22.946 44.302 52.540 1.00 0.00 H +ATOM 82 NE1 TRP 5 21.050 45.260 51.920 1.00 0.00 N +ATOM 83 HE1 TRP 5 20.990 45.320 50.948 1.00 0.00 H +ATOM 84 CE2 TRP 5 19.910 45.450 52.540 1.00 0.00 C +ATOM 85 CD2 TRP 5 20.050 45.080 53.830 1.00 0.00 C +ATOM 86 CE3 TRP 5 18.910 45.020 54.690 1.00 0.00 C +ATOM 87 HE3 TRP 5 19.080 44.760 55.724 1.00 0.00 H +ATOM 88 CZ3 TRP 5 17.770 45.680 54.310 1.00 0.00 C +ATOM 89 HZ3 TRP 5 16.930 45.670 54.990 1.00 0.00 H +ATOM 90 CZ2 TRP 5 18.680 45.830 52.090 1.00 0.00 C +ATOM 91 HZ2 TRP 5 18.580 46.048 51.036 1.00 0.00 H +ATOM 92 CH2 TRP 5 17.570 46.050 52.990 1.00 0.00 C +ATOM 93 HH2 TRP 5 16.646 46.512 52.678 1.00 0.00 H +ATOM 94 C TRP 5 22.810 44.190 57.660 1.00 0.00 C +ATOM 95 O TRP 5 21.920 44.040 58.530 1.00 0.00 O +ATOM 96 N GLY 6 24.030 43.730 57.760 1.00 0.00 N +ATOM 97 HN GLY 6 24.630 43.840 56.970 1.00 0.00 H +ATOM 98 CA GLY 6 24.580 43.010 58.890 1.00 0.00 C +ATOM 99 HA1 GLY 6 25.626 43.190 58.690 1.00 0.00 H +ATOM 100 HA2 GLY 6 24.270 43.460 59.822 1.00 0.00 H +ATOM 101 C GLY 6 24.200 41.620 58.720 1.00 0.00 C +ATOM 102 O GLY 6 24.040 40.830 59.690 1.00 0.00 O +ATOM 103 N ARG 7 24.120 41.140 57.450 1.00 0.00 N +ATOM 104 HN ARG 7 24.320 41.752 56.688 1.00 0.00 H +ATOM 105 CA ARG 7 23.570 39.850 57.100 1.00 0.00 C +ATOM 106 HA ARG 7 23.420 39.320 58.030 1.00 0.00 H +ATOM 107 CB ARG 7 22.170 40.000 56.500 1.00 0.00 C +ATOM 108 HB1 ARG 7 22.220 40.754 55.686 1.00 0.00 H +ATOM 109 HB2 ARG 7 21.810 39.022 56.112 1.00 0.00 H +ATOM 110 CG ARG 7 21.170 40.480 57.520 1.00 0.00 C +ATOM 111 HG1 ARG 7 21.450 39.890 58.420 1.00 0.00 H +ATOM 112 HG2 ARG 7 21.260 41.584 57.620 1.00 0.00 H +ATOM 113 CD ARG 7 19.750 40.150 57.250 1.00 0.00 C +ATOM 114 HD1 ARG 7 19.660 39.054 57.090 1.00 0.00 H +ATOM 115 HD2 ARG 7 19.048 40.432 58.064 1.00 0.00 H +ATOM 116 NE ARG 7 19.290 40.890 56.030 1.00 0.00 N +ATOM 117 HE ARG 7 19.640 40.480 55.188 1.00 0.00 H +ATOM 118 CZ ARG 7 18.260 41.700 55.920 1.00 0.00 C +ATOM 119 NH1 ARG 7 17.670 42.320 56.910 1.00 0.00 N +ATOM 120 1HH1 ARG 7 17.980 42.130 57.842 1.00 0.00 H +ATOM 121 2HH1 ARG 7 17.010 43.060 56.770 1.00 0.00 H +ATOM 122 NH2 ARG 7 17.740 41.880 54.750 1.00 0.00 N +ATOM 123 1HH2 ARG 7 17.950 41.188 54.058 1.00 0.00 H +ATOM 124 2HH2 ARG 7 16.900 42.410 54.630 1.00 0.00 H +ATOM 125 C ARG 7 24.370 38.940 56.140 1.00 0.00 C +ATOM 126 O ARG 7 24.690 39.300 55.020 1.00 0.00 O +ATOM 127 N ILE 8 24.590 37.690 56.580 1.00 0.00 N +ATOM 128 HN ILE 8 24.230 37.390 57.460 1.00 0.00 H +ATOM 129 CA ILE 8 25.380 36.690 55.890 1.00 0.00 C +ATOM 130 HA ILE 8 25.782 37.022 54.944 1.00 0.00 H +ATOM 131 CB ILE 8 26.580 36.170 56.610 1.00 0.00 C +ATOM 132 HB ILE 8 26.120 35.910 57.588 1.00 0.00 H +ATOM 133 CG2 ILE 8 27.280 34.950 55.950 1.00 0.00 C +ATOM 134 1HG2 ILE 8 27.758 35.228 54.986 1.00 0.00 H +ATOM 135 2HG2 ILE 8 28.066 34.588 56.646 1.00 0.00 H +ATOM 136 3HG2 ILE 8 26.560 34.140 55.710 1.00 0.00 H +ATOM 137 CG1 ILE 8 27.520 37.330 56.990 1.00 0.00 C +ATOM 138 1HG1 ILE 8 27.920 37.660 56.008 1.00 0.00 H +ATOM 139 2HG1 ILE 8 27.010 38.198 57.460 1.00 0.00 H +ATOM 140 CD ILE 8 28.710 36.880 57.920 1.00 0.00 C +ATOM 141 HD1 ILE 8 29.520 36.380 57.350 1.00 0.00 H +ATOM 142 HD2 ILE 8 29.336 37.654 58.416 1.00 0.00 H +ATOM 143 HD3 ILE 8 28.360 36.150 58.680 1.00 0.00 H +ATOM 144 C ILE 8 24.360 35.610 55.490 1.00 0.00 C +ATOM 145 O ILE 8 23.600 35.100 56.320 1.00 0.00 O +ATOM 146 N LEU 9 24.310 35.340 54.120 1.00 0.00 N +ATOM 147 HN LEU 9 24.868 35.918 53.532 1.00 0.00 H +ATOM 148 CA LEU 9 23.530 34.280 53.530 1.00 0.00 C +ATOM 149 HA LEU 9 22.632 34.160 54.118 1.00 0.00 H +ATOM 150 CB LEU 9 23.150 34.730 52.010 1.00 0.00 C +ATOM 151 HB1 LEU 9 22.622 35.708 52.040 1.00 0.00 H +ATOM 152 HB2 LEU 9 24.050 34.790 51.360 1.00 0.00 H +ATOM 153 CG LEU 9 22.090 33.800 51.410 1.00 0.00 C +ATOM 154 HG LEU 9 22.666 32.876 51.182 1.00 0.00 H +ATOM 155 CD1 LEU 9 20.820 33.630 52.230 1.00 0.00 C +ATOM 156 1HD1 LEU 9 20.398 34.634 52.450 1.00 0.00 H +ATOM 157 2HD1 LEU 9 20.086 32.974 51.714 1.00 0.00 H +ATOM 158 3HD1 LEU 9 21.092 33.218 53.224 1.00 0.00 H +ATOM 159 CD2 LEU 9 21.710 34.320 50.010 1.00 0.00 C +ATOM 160 1HD2 LEU 9 21.100 33.530 49.520 1.00 0.00 H +ATOM 161 2HD2 LEU 9 21.138 35.262 50.150 1.00 0.00 H +ATOM 162 3HD2 LEU 9 22.590 34.640 49.410 1.00 0.00 H +ATOM 163 C LEU 9 24.310 33.030 53.530 1.00 0.00 C +ATOM 164 O LEU 9 25.440 33.000 53.030 1.00 0.00 O +ATOM 165 N ARG 10 23.780 31.920 54.070 1.00 0.00 N +ATOM 166 HN ARG 10 22.868 31.910 54.472 1.00 0.00 H +ATOM 167 CA ARG 10 24.470 30.630 54.280 1.00 0.00 C +ATOM 168 HA ARG 10 25.352 30.690 53.660 1.00 0.00 H +ATOM 169 CB ARG 10 24.750 30.320 55.780 1.00 0.00 C +ATOM 170 HB1 ARG 10 23.860 30.390 56.440 1.00 0.00 H +ATOM 171 HB2 ARG 10 25.110 29.282 55.950 1.00 0.00 H +ATOM 172 CG ARG 10 25.760 31.330 56.380 1.00 0.00 C +ATOM 173 HG1 ARG 10 26.572 31.410 55.628 1.00 0.00 H +ATOM 174 HG2 ARG 10 25.280 32.332 56.380 1.00 0.00 H +ATOM 175 CD ARG 10 26.220 31.140 57.790 1.00 0.00 C +ATOM 176 HD1 ARG 10 25.278 31.320 58.350 1.00 0.00 H +ATOM 177 HD2 ARG 10 26.638 30.134 58.010 1.00 0.00 H +ATOM 178 NE ARG 10 27.170 32.210 58.070 1.00 0.00 N +ATOM 179 HE ARG 10 26.910 33.084 58.482 1.00 0.00 H +ATOM 180 CZ ARG 10 28.480 32.000 58.100 1.00 0.00 C +ATOM 181 NH1 ARG 10 29.110 30.990 57.660 1.00 0.00 N +ATOM 182 1HH1 ARG 10 28.630 30.290 57.130 1.00 0.00 H +ATOM 183 2HH1 ARG 10 29.952 30.750 58.142 1.00 0.00 H +ATOM 184 NH2 ARG 10 29.180 32.940 58.680 1.00 0.00 N +ATOM 185 1HH2 ARG 10 28.624 33.438 59.346 1.00 0.00 H +ATOM 186 2HH2 ARG 10 30.050 32.640 59.070 1.00 0.00 H +ATOM 187 C ARG 10 23.770 29.370 53.630 1.00 0.00 C +ATOM 188 O ARG 10 22.650 29.000 53.970 1.00 0.00 O +ATOM 189 N VAL 11 24.460 28.870 52.630 1.00 0.00 N +ATOM 190 HN VAL 11 25.388 29.200 52.470 1.00 0.00 H +ATOM 191 CA VAL 11 23.950 27.760 51.780 1.00 0.00 C +ATOM 192 HA VAL 11 22.998 27.470 52.200 1.00 0.00 H +ATOM 193 CB VAL 11 23.770 28.110 50.310 1.00 0.00 C +ATOM 194 HB VAL 11 24.718 28.510 49.890 1.00 0.00 H +ATOM 195 CG1 VAL 11 23.230 26.870 49.530 1.00 0.00 C +ATOM 196 1HG1 VAL 11 23.090 27.080 48.448 1.00 0.00 H +ATOM 197 2HG1 VAL 11 23.622 25.836 49.630 1.00 0.00 H +ATOM 198 3HG1 VAL 11 22.210 26.650 49.910 1.00 0.00 H +ATOM 199 CG2 VAL 11 22.680 29.200 50.250 1.00 0.00 C +ATOM 200 1HG2 VAL 11 22.920 30.010 50.970 1.00 0.00 H +ATOM 201 2HG2 VAL 11 22.710 29.520 49.188 1.00 0.00 H +ATOM 202 3HG2 VAL 11 21.672 28.820 50.520 1.00 0.00 H +ATOM 203 C VAL 11 24.850 26.570 51.900 1.00 0.00 C +ATOM 204 O VAL 11 26.000 26.560 51.460 1.00 0.00 O +ATOM 205 N ASN 12 24.270 25.450 52.380 1.00 0.00 N +ATOM 206 HN ASN 12 23.312 25.540 52.640 1.00 0.00 H +ATOM 207 CA ASN 12 24.940 24.280 52.650 1.00 0.00 C +ATOM 208 HA ASN 12 26.010 24.290 52.510 1.00 0.00 H +ATOM 209 CB ASN 12 24.720 23.740 54.090 1.00 0.00 C +ATOM 210 HB1 ASN 12 25.140 24.492 54.792 1.00 0.00 H +ATOM 211 HB2 ASN 12 23.672 23.770 54.460 1.00 0.00 H +ATOM 212 CG ASN 12 25.270 22.410 54.270 1.00 0.00 C +ATOM 213 OD1 ASN 12 25.990 21.950 53.380 1.00 0.00 O +ATOM 214 ND2 ASN 12 25.100 21.770 55.450 1.00 0.00 N +ATOM 215 1HD2 ASN 12 24.512 22.080 56.198 1.00 0.00 H +ATOM 216 2HD2 ASN 12 25.630 20.930 55.570 1.00 0.00 H +ATOM 217 C ASN 12 24.380 23.350 51.570 1.00 0.00 C +ATOM 218 O ASN 12 23.240 22.930 51.720 1.00 0.00 O +ATOM 219 N LEU 13 25.200 22.950 50.560 1.00 0.00 N +ATOM 220 HN LEU 13 26.144 23.272 50.530 1.00 0.00 H +ATOM 221 CA LEU 13 24.880 22.060 49.390 1.00 0.00 C +ATOM 222 HA LEU 13 23.926 22.392 49.008 1.00 0.00 H +ATOM 223 CB LEU 13 25.880 22.360 48.220 1.00 0.00 C +ATOM 224 HB1 LEU 13 26.886 22.092 48.608 1.00 0.00 H +ATOM 225 HB2 LEU 13 25.630 21.718 47.348 1.00 0.00 H +ATOM 226 CG LEU 13 25.940 23.750 47.700 1.00 0.00 C +ATOM 227 HG LEU 13 26.180 24.502 48.482 1.00 0.00 H +ATOM 228 CD1 LEU 13 27.170 23.930 46.770 1.00 0.00 C +ATOM 229 1HD1 LEU 13 27.030 23.140 46.000 1.00 0.00 H +ATOM 230 2HD1 LEU 13 27.150 24.852 46.150 1.00 0.00 H +ATOM 231 3HD1 LEU 13 28.168 23.650 47.170 1.00 0.00 H +ATOM 232 CD2 LEU 13 24.660 24.180 46.980 1.00 0.00 C +ATOM 233 1HD2 LEU 13 24.300 23.388 46.288 1.00 0.00 H +ATOM 234 2HD2 LEU 13 23.768 24.500 47.560 1.00 0.00 H +ATOM 235 3HD2 LEU 13 25.080 25.022 46.390 1.00 0.00 H +ATOM 236 C LEU 13 24.720 20.580 49.780 1.00 0.00 C +ATOM 237 O LEU 13 24.080 19.810 49.070 1.00 0.00 O +ATOM 238 N THR 14 25.360 20.200 50.930 1.00 0.00 N +ATOM 239 HN THR 14 25.870 20.830 51.510 1.00 0.00 H +ATOM 240 CA THR 14 25.340 18.800 51.360 1.00 0.00 C +ATOM 241 HA THR 14 25.380 18.262 50.424 1.00 0.00 H +ATOM 242 CB THR 14 26.410 18.410 52.310 1.00 0.00 C +ATOM 243 HB THR 14 26.330 19.030 53.230 1.00 0.00 H +ATOM 244 OG1 THR 14 27.690 18.640 51.680 1.00 0.00 O +ATOM 245 HG1 THR 14 28.428 18.360 52.228 1.00 0.00 H +ATOM 246 CG2 THR 14 26.300 16.950 52.720 1.00 0.00 C +ATOM 247 1HG2 THR 14 25.436 16.800 53.402 1.00 0.00 H +ATOM 248 2HG2 THR 14 26.070 16.390 51.788 1.00 0.00 H +ATOM 249 3HG2 THR 14 27.140 16.620 53.370 1.00 0.00 H +ATOM 250 C THR 14 23.970 18.450 51.900 1.00 0.00 C +ATOM 251 O THR 14 23.430 17.380 51.510 1.00 0.00 O +ATOM 252 N THR 15 23.340 19.380 52.710 1.00 0.00 N +ATOM 253 HN THR 15 23.814 20.216 52.972 1.00 0.00 H +ATOM 254 CA THR 15 21.980 19.290 53.220 1.00 0.00 C +ATOM 255 HA THR 15 21.840 18.228 53.360 1.00 0.00 H +ATOM 256 CB THR 15 21.770 20.010 54.520 1.00 0.00 C +ATOM 257 HB THR 15 20.746 19.880 54.932 1.00 0.00 H +ATOM 258 OG1 THR 15 22.290 21.300 54.470 1.00 0.00 O +ATOM 259 HG1 THR 15 22.410 21.568 55.384 1.00 0.00 H +ATOM 260 CG2 THR 15 22.610 19.240 55.590 1.00 0.00 C +ATOM 261 1HG2 THR 15 23.702 19.340 55.410 1.00 0.00 H +ATOM 262 2HG2 THR 15 22.430 19.702 56.584 1.00 0.00 H +ATOM 263 3HG2 THR 15 22.242 18.194 55.530 1.00 0.00 H +ATOM 264 C THR 15 20.910 19.790 52.260 1.00 0.00 C +ATOM 265 O THR 15 19.960 19.130 51.880 1.00 0.00 O +ATOM 266 N GLY 16 21.150 21.030 51.800 1.00 0.00 N +ATOM 267 HN GLY 16 22.064 21.402 51.940 1.00 0.00 H +ATOM 268 CA GLY 16 20.310 21.830 50.950 1.00 0.00 C +ATOM 269 HA1 GLY 16 20.962 22.392 50.298 1.00 0.00 H +ATOM 270 HA2 GLY 16 19.598 21.178 50.468 1.00 0.00 H +ATOM 271 C GLY 16 19.500 22.870 51.760 1.00 0.00 C +ATOM 272 O GLY 16 18.680 23.650 51.320 1.00 0.00 O +ATOM 273 N GLU 17 20.060 23.090 53.000 1.00 0.00 N +ATOM 274 HN GLU 17 20.834 22.518 53.262 1.00 0.00 H +ATOM 275 CA GLU 17 19.620 24.030 53.960 1.00 0.00 C +ATOM 276 HA GLU 17 18.544 24.110 53.910 1.00 0.00 H +ATOM 277 CB GLU 17 20.030 23.520 55.400 1.00 0.00 C +ATOM 278 HB1 GLU 17 19.488 22.586 55.660 1.00 0.00 H +ATOM 279 HB2 GLU 17 21.088 23.270 55.170 1.00 0.00 H +ATOM 280 CG GLU 17 19.950 24.510 56.640 1.00 0.00 C +ATOM 281 HG1 GLU 17 20.632 25.382 56.540 1.00 0.00 H +ATOM 282 HG2 GLU 17 18.984 25.054 56.710 1.00 0.00 H +ATOM 283 CD GLU 17 20.190 23.790 57.930 1.00 0.00 C +ATOM 284 OE1 GLU 17 19.280 23.030 58.370 1.00 0.00 O +ATOM 285 OE2 GLU 17 21.260 24.030 58.530 1.00 0.00 O +ATOM 286 C GLU 17 20.040 25.490 53.720 1.00 0.00 C +ATOM 287 O GLU 17 21.170 25.840 53.450 1.00 0.00 O +ATOM 288 N VAL 18 19.050 26.410 53.840 1.00 0.00 N +ATOM 289 HN VAL 18 18.180 26.200 54.280 1.00 0.00 H +ATOM 290 CA VAL 18 19.280 27.870 53.740 1.00 0.00 C +ATOM 291 HA VAL 18 20.334 28.010 53.560 1.00 0.00 H +ATOM 292 CB VAL 18 18.290 28.570 52.820 1.00 0.00 C +ATOM 293 HB VAL 18 17.246 28.380 53.148 1.00 0.00 H +ATOM 294 CG1 VAL 18 18.570 30.130 52.780 1.00 0.00 C +ATOM 295 1HG1 VAL 18 19.638 30.330 52.550 1.00 0.00 H +ATOM 296 2HG1 VAL 18 17.978 30.582 51.956 1.00 0.00 H +ATOM 297 3HG1 VAL 18 18.420 30.598 53.776 1.00 0.00 H +ATOM 298 CG2 VAL 18 18.380 27.880 51.460 1.00 0.00 C +ATOM 299 1HG2 VAL 18 17.832 28.398 50.644 1.00 0.00 H +ATOM 300 2HG2 VAL 18 19.458 27.860 51.190 1.00 0.00 H +ATOM 301 3HG2 VAL 18 18.040 26.822 51.470 1.00 0.00 H +ATOM 302 C VAL 18 19.180 28.430 55.130 1.00 0.00 C +ATOM 303 O VAL 18 18.220 28.230 55.820 1.00 0.00 O +ATOM 304 N LYS 19 20.210 29.200 55.510 1.00 0.00 N +ATOM 305 HN LYS 19 21.036 29.190 54.952 1.00 0.00 H +ATOM 306 CA LYS 19 20.170 30.010 56.750 1.00 0.00 C +ATOM 307 HA LYS 19 19.118 30.080 56.988 1.00 0.00 H +ATOM 308 CB LYS 19 20.920 29.420 57.950 1.00 0.00 C +ATOM 309 HB1 LYS 19 21.846 28.982 57.522 1.00 0.00 H +ATOM 310 HB2 LYS 19 21.120 30.282 58.622 1.00 0.00 H +ATOM 311 CG LYS 19 20.200 28.370 58.760 1.00 0.00 C +ATOM 312 HG1 LYS 19 19.398 28.882 59.332 1.00 0.00 H +ATOM 313 HG2 LYS 19 19.598 27.666 58.148 1.00 0.00 H +ATOM 314 CD LYS 19 21.160 27.630 59.690 1.00 0.00 C +ATOM 315 HD1 LYS 19 22.022 27.198 59.138 1.00 0.00 H +ATOM 316 HD2 LYS 19 21.640 28.410 60.320 1.00 0.00 H +ATOM 317 CE LYS 19 20.530 26.560 60.580 1.00 0.00 C +ATOM 318 HE1 LYS 19 20.208 27.064 61.516 1.00 0.00 H +ATOM 319 HE2 LYS 19 19.728 26.080 59.978 1.00 0.00 H +ATOM 320 NZ LYS 19 21.480 25.430 60.850 1.00 0.00 N +ATOM 321 HZ1 LYS 19 21.052 24.812 61.568 1.00 0.00 H +ATOM 322 HZ2 LYS 19 21.440 24.780 60.040 1.00 0.00 H +ATOM 323 HZ3 LYS 19 22.468 25.670 61.070 1.00 0.00 H +ATOM 324 C LYS 19 20.700 31.390 56.460 1.00 0.00 C +ATOM 325 O LYS 19 21.610 31.590 55.630 1.00 0.00 O +ATOM 326 N VAL 20 20.170 32.420 57.170 1.00 0.00 N +ATOM 327 HN VAL 20 19.408 32.220 57.782 1.00 0.00 H +ATOM 328 CA VAL 20 20.530 33.790 57.220 1.00 0.00 C +ATOM 329 HA VAL 20 21.378 33.950 56.572 1.00 0.00 H +ATOM 330 CB VAL 20 19.480 34.790 56.880 1.00 0.00 C +ATOM 331 HB VAL 20 18.580 34.760 57.530 1.00 0.00 H +ATOM 332 CG1 VAL 20 20.040 36.200 57.070 1.00 0.00 C +ATOM 333 1HG1 VAL 20 19.308 36.892 56.600 1.00 0.00 H +ATOM 334 2HG1 VAL 20 20.040 36.512 58.136 1.00 0.00 H +ATOM 335 3HG1 VAL 20 21.028 36.400 56.602 1.00 0.00 H +ATOM 336 CG2 VAL 20 19.050 34.570 55.390 1.00 0.00 C +ATOM 337 1HG2 VAL 20 19.804 34.540 54.576 1.00 0.00 H +ATOM 338 2HG2 VAL 20 18.428 33.658 55.260 1.00 0.00 H +ATOM 339 3HG2 VAL 20 18.318 35.362 55.120 1.00 0.00 H +ATOM 340 C VAL 20 20.950 34.170 58.590 1.00 0.00 C +ATOM 341 O VAL 20 20.210 33.890 59.590 1.00 0.00 O +ATOM 342 N GLN 21 22.220 34.670 58.750 1.00 0.00 N +ATOM 343 HN GLN 21 22.708 34.878 57.906 1.00 0.00 H +ATOM 344 CA GLN 21 22.890 34.980 59.970 1.00 0.00 C +ATOM 345 HA GLN 21 22.262 34.710 60.808 1.00 0.00 H +ATOM 346 CB GLN 21 24.170 34.170 60.110 1.00 0.00 C +ATOM 347 HB1 GLN 21 24.040 33.078 60.270 1.00 0.00 H +ATOM 348 HB2 GLN 21 24.730 34.400 59.178 1.00 0.00 H +ATOM 349 CG GLN 21 25.140 34.640 61.280 1.00 0.00 C +ATOM 350 HG1 GLN 21 25.542 35.674 61.320 1.00 0.00 H +ATOM 351 HG2 GLN 21 24.672 34.422 62.264 1.00 0.00 H +ATOM 352 CD GLN 21 26.550 33.940 61.140 1.00 0.00 C +ATOM 353 OE1 GLN 21 27.250 34.200 60.110 1.00 0.00 O +ATOM 354 NE2 GLN 21 26.780 32.990 62.080 1.00 0.00 N +ATOM 355 1HE2 GLN 21 26.076 32.840 62.774 1.00 0.00 H +ATOM 356 2HE2 GLN 21 27.626 32.462 62.010 1.00 0.00 H +ATOM 357 C GLN 21 23.120 36.510 60.210 1.00 0.00 C +ATOM 358 O GLN 21 23.650 37.230 59.290 1.00 0.00 O +ATOM 359 N GLU 22 22.730 37.070 61.320 1.00 0.00 N +ATOM 360 HN GLU 22 22.168 36.528 61.942 1.00 0.00 H +ATOM 361 CA GLU 22 23.140 38.430 61.670 1.00 0.00 C +ATOM 362 HA GLU 22 23.210 39.108 60.832 1.00 0.00 H +ATOM 363 CB GLU 22 21.990 39.100 62.410 1.00 0.00 C +ATOM 364 HB1 GLU 22 21.820 38.550 63.360 1.00 0.00 H +ATOM 365 HB2 GLU 22 22.320 40.132 62.650 1.00 0.00 H +ATOM 366 CG GLU 22 20.590 39.130 61.640 1.00 0.00 C +ATOM 367 HG1 GLU 22 20.740 39.240 60.546 1.00 0.00 H +ATOM 368 HG2 GLU 22 20.130 38.140 61.850 1.00 0.00 H +ATOM 369 CD GLU 22 19.640 40.090 62.270 1.00 0.00 C +ATOM 370 OE1 GLU 22 19.630 41.230 61.780 1.00 0.00 O +ATOM 371 OE2 GLU 22 18.920 39.810 63.220 1.00 0.00 O +ATOM 372 C GLU 22 24.540 38.530 62.310 1.00 0.00 C +ATOM 373 O GLU 22 24.880 37.750 63.220 1.00 0.00 O +ATOM 374 N TYR 23 25.410 39.510 61.840 1.00 0.00 N +ATOM 375 HN TYR 23 25.210 40.110 61.070 1.00 0.00 H +ATOM 376 CA TYR 23 26.800 39.690 62.350 1.00 0.00 C +ATOM 377 HA TYR 23 26.830 38.994 63.176 1.00 0.00 H +ATOM 378 CB TYR 23 27.880 39.300 61.270 1.00 0.00 C +ATOM 379 HB1 TYR 23 28.872 39.170 61.752 1.00 0.00 H +ATOM 380 HB2 TYR 23 27.630 38.380 60.700 1.00 0.00 H +ATOM 381 CG TYR 23 27.930 40.350 60.230 1.00 0.00 C +ATOM 382 CD1 TYR 23 27.220 40.290 58.990 1.00 0.00 C +ATOM 383 HD1 TYR 23 26.492 39.492 58.970 1.00 0.00 H +ATOM 384 CE1 TYR 23 27.360 41.290 58.010 1.00 0.00 C +ATOM 385 HE1 TYR 23 26.780 41.320 57.100 1.00 0.00 H +ATOM 386 CZ TYR 23 28.310 42.270 58.200 1.00 0.00 C +ATOM 387 OH TYR 23 28.430 43.280 57.240 1.00 0.00 O +ATOM 388 HH TYR 23 29.256 43.758 57.340 1.00 0.00 H +ATOM 389 CD2 TYR 23 28.880 41.370 60.370 1.00 0.00 C +ATOM 390 HD2 TYR 23 29.396 41.490 61.312 1.00 0.00 H +ATOM 391 CE2 TYR 23 29.040 42.340 59.370 1.00 0.00 C +ATOM 392 HE2 TYR 23 29.786 43.106 59.530 1.00 0.00 H +ATOM 393 C TYR 23 26.950 41.060 63.010 1.00 0.00 C +ATOM 394 O TYR 23 26.210 41.980 62.690 1.00 0.00 O +ATOM 395 N PRO 24 27.810 41.170 64.030 1.00 0.00 N +ATOM 396 CD PRO 24 28.710 40.130 64.440 1.00 0.00 C +ATOM 397 HD1 PRO 24 29.678 40.150 63.896 1.00 0.00 H +ATOM 398 HD2 PRO 24 28.258 39.116 64.490 1.00 0.00 H +ATOM 399 CA PRO 24 27.890 42.380 64.840 1.00 0.00 C +ATOM 400 HA PRO 24 26.930 42.580 65.290 1.00 0.00 H +ATOM 401 CB PRO 24 28.830 42.040 65.950 1.00 0.00 C +ATOM 402 HB1 PRO 24 29.868 42.350 65.700 1.00 0.00 H +ATOM 403 HB2 PRO 24 28.558 42.362 66.978 1.00 0.00 H +ATOM 404 CG PRO 24 29.060 40.500 65.900 1.00 0.00 C +ATOM 405 HG1 PRO 24 30.030 40.200 66.350 1.00 0.00 H +ATOM 406 HG2 PRO 24 28.330 40.110 66.640 1.00 0.00 H +ATOM 407 C PRO 24 28.200 43.660 64.140 1.00 0.00 C +ATOM 408 O PRO 24 29.010 43.610 63.240 1.00 0.00 O +ATOM 409 N GLU 25 27.650 44.780 64.540 1.00 0.00 N +ATOM 410 HN GLU 25 26.904 44.680 65.196 1.00 0.00 H +ATOM 411 CA GLU 25 27.890 46.130 64.060 1.00 0.00 C +ATOM 412 HA GLU 25 27.770 46.110 62.988 1.00 0.00 H +ATOM 413 CB GLU 25 26.920 47.200 64.730 1.00 0.00 C +ATOM 414 HB1 GLU 25 25.892 46.900 64.430 1.00 0.00 H +ATOM 415 HB2 GLU 25 27.130 47.020 65.806 1.00 0.00 H +ATOM 416 CG GLU 25 27.220 48.720 64.440 1.00 0.00 C +ATOM 417 HG1 GLU 25 28.110 49.010 65.040 1.00 0.00 H +ATOM 418 HG2 GLU 25 27.490 48.760 63.362 1.00 0.00 H +ATOM 419 CD GLU 25 26.190 49.800 64.730 1.00 0.00 C +ATOM 420 OE1 GLU 25 25.050 49.880 64.140 1.00 0.00 O +ATOM 421 OE2 GLU 25 26.470 50.680 65.660 1.00 0.00 O +ATOM 422 C GLU 25 29.340 46.610 64.300 1.00 0.00 C +ATOM 423 O GLU 25 29.920 47.210 63.390 1.00 0.00 O +ATOM 424 N GLU 26 29.990 46.170 65.400 1.00 0.00 N +ATOM 425 HN GLU 26 29.570 45.540 66.050 1.00 0.00 H +ATOM 426 CA GLU 26 31.380 46.370 65.760 1.00 0.00 C +ATOM 427 HA GLU 26 31.562 47.426 65.890 1.00 0.00 H +ATOM 428 CB GLU 26 31.640 45.700 67.150 1.00 0.00 C +ATOM 429 HB1 GLU 26 31.088 46.272 67.924 1.00 0.00 H +ATOM 430 HB2 GLU 26 31.222 44.674 67.060 1.00 0.00 H +ATOM 431 CG GLU 26 33.110 45.660 67.480 1.00 0.00 C +ATOM 432 HG1 GLU 26 33.530 44.768 66.968 1.00 0.00 H +ATOM 433 HG2 GLU 26 33.840 46.480 67.310 1.00 0.00 H +ATOM 434 CD GLU 26 33.420 45.240 68.900 1.00 0.00 C +ATOM 435 OE1 GLU 26 34.670 45.220 69.270 1.00 0.00 O +ATOM 436 OE2 GLU 26 32.500 45.150 69.750 1.00 0.00 O +ATOM 437 C GLU 26 32.320 45.720 64.690 1.00 0.00 C +ATOM 438 O GLU 26 33.210 46.380 64.170 1.00 0.00 O +ATOM 439 N VAL 27 31.980 44.470 64.300 1.00 0.00 N +ATOM 440 HN VAL 27 31.312 43.922 64.798 1.00 0.00 H +ATOM 441 CA VAL 27 32.570 43.770 63.190 1.00 0.00 C +ATOM 442 HA VAL 27 33.642 43.850 63.280 1.00 0.00 H +ATOM 443 CB VAL 27 32.100 42.260 63.320 1.00 0.00 C +ATOM 444 HB VAL 27 31.018 42.190 63.560 1.00 0.00 H +ATOM 445 CG1 VAL 27 32.320 41.550 62.000 1.00 0.00 C +ATOM 446 1HG1 VAL 27 31.730 40.610 62.070 1.00 0.00 H +ATOM 447 2HG1 VAL 27 32.100 42.130 61.078 1.00 0.00 H +ATOM 448 3HG1 VAL 27 33.396 41.310 61.860 1.00 0.00 H +ATOM 449 CG2 VAL 27 32.860 41.730 64.610 1.00 0.00 C +ATOM 450 1HG2 VAL 27 32.800 40.620 64.610 1.00 0.00 H +ATOM 451 2HG2 VAL 27 33.954 41.850 64.460 1.00 0.00 H +ATOM 452 3HG2 VAL 27 32.552 42.188 65.574 1.00 0.00 H +ATOM 453 C VAL 27 32.370 44.370 61.800 1.00 0.00 C +ATOM 454 O VAL 27 33.280 44.310 60.970 1.00 0.00 O +ATOM 455 N ALA 28 31.190 44.990 61.530 1.00 0.00 N +ATOM 456 HN ALA 28 30.388 44.970 62.122 1.00 0.00 H +ATOM 457 CA ALA 28 30.990 45.800 60.300 1.00 0.00 C +ATOM 458 HA ALA 28 31.288 45.212 59.444 1.00 0.00 H +ATOM 459 CB ALA 28 29.590 46.200 60.100 1.00 0.00 C +ATOM 460 HB1 ALA 28 29.590 46.896 59.234 1.00 0.00 H +ATOM 461 HB2 ALA 28 28.820 45.410 59.960 1.00 0.00 H +ATOM 462 HB3 ALA 28 29.320 46.932 60.892 1.00 0.00 H +ATOM 463 C ALA 28 31.840 47.040 60.240 1.00 0.00 C +ATOM 464 O ALA 28 32.570 47.280 59.290 1.00 0.00 O +ATOM 465 N LYS 29 31.940 47.820 61.350 1.00 0.00 N +ATOM 466 HN LYS 29 31.382 47.710 62.168 1.00 0.00 H +ATOM 467 CA LYS 29 32.780 48.880 61.500 1.00 0.00 C +ATOM 468 HA LYS 29 32.550 49.530 60.670 1.00 0.00 H +ATOM 469 CB LYS 29 32.390 49.700 62.790 1.00 0.00 C +ATOM 470 HB1 LYS 29 32.360 49.060 63.698 1.00 0.00 H +ATOM 471 HB2 LYS 29 33.112 50.532 62.940 1.00 0.00 H +ATOM 472 CG LYS 29 31.150 50.510 62.660 1.00 0.00 C +ATOM 473 HG1 LYS 29 31.390 51.492 62.200 1.00 0.00 H +ATOM 474 HG2 LYS 29 30.366 50.028 62.038 1.00 0.00 H +ATOM 475 CD LYS 29 30.360 50.850 63.960 1.00 0.00 C +ATOM 476 HD1 LYS 29 30.070 49.908 64.472 1.00 0.00 H +ATOM 477 HD2 LYS 29 31.170 51.330 64.550 1.00 0.00 H +ATOM 478 CE LYS 29 29.200 51.830 63.790 1.00 0.00 C +ATOM 479 HE1 LYS 29 29.540 52.800 63.370 1.00 0.00 H +ATOM 480 HE2 LYS 29 28.420 51.340 63.170 1.00 0.00 H +ATOM 481 NZ LYS 29 28.610 52.170 65.070 1.00 0.00 N +ATOM 482 HZ1 LYS 29 28.150 53.098 64.980 1.00 0.00 H +ATOM 483 HZ2 LYS 29 27.952 51.414 65.348 1.00 0.00 H +ATOM 484 HZ3 LYS 29 29.340 52.230 65.810 1.00 0.00 H +ATOM 485 C LYS 29 34.330 48.540 61.470 1.00 0.00 C +ATOM 486 O LYS 29 35.120 49.380 61.050 1.00 0.00 O +ATOM 487 N LYS 30 34.850 47.420 62.080 1.00 0.00 N +ATOM 488 HN LYS 30 34.230 46.810 62.570 1.00 0.00 H +ATOM 489 CA LYS 30 36.220 47.020 62.010 1.00 0.00 C +ATOM 490 HA LYS 30 36.802 47.892 62.270 1.00 0.00 H +ATOM 491 CB LYS 30 36.490 45.910 63.100 1.00 0.00 C +ATOM 492 HB1 LYS 30 35.674 45.164 63.210 1.00 0.00 H +ATOM 493 HB2 LYS 30 37.412 45.368 62.800 1.00 0.00 H +ATOM 494 CG LYS 30 36.580 46.620 64.500 1.00 0.00 C +ATOM 495 HG1 LYS 30 37.476 47.274 64.490 1.00 0.00 H +ATOM 496 HG2 LYS 30 35.664 47.244 64.580 1.00 0.00 H +ATOM 497 CD LYS 30 36.710 45.680 65.700 1.00 0.00 C +ATOM 498 HD1 LYS 30 35.770 45.140 65.940 1.00 0.00 H +ATOM 499 HD2 LYS 30 37.480 44.900 65.520 1.00 0.00 H +ATOM 500 CE LYS 30 37.250 46.430 66.930 1.00 0.00 C +ATOM 501 HE1 LYS 30 38.314 46.710 66.780 1.00 0.00 H +ATOM 502 HE2 LYS 30 36.614 47.326 67.100 1.00 0.00 H +ATOM 503 NZ LYS 30 37.110 45.610 68.140 1.00 0.00 N +ATOM 504 HZ1 LYS 30 37.510 46.210 68.890 1.00 0.00 H +ATOM 505 HZ2 LYS 30 36.112 45.420 68.360 1.00 0.00 H +ATOM 506 HZ3 LYS 30 37.522 44.674 67.948 1.00 0.00 H +ATOM 507 C LYS 30 36.690 46.720 60.690 1.00 0.00 C +ATOM 508 O LYS 30 37.700 47.280 60.210 1.00 0.00 O +ATOM 509 N PHE 31 35.940 45.840 60.010 1.00 0.00 N +ATOM 510 HN PHE 31 35.104 45.488 60.422 1.00 0.00 H +ATOM 511 CA PHE 31 36.310 45.180 58.760 1.00 0.00 C +ATOM 512 HA PHE 31 37.334 45.442 58.540 1.00 0.00 H +ATOM 513 CB PHE 31 36.150 43.660 58.880 1.00 0.00 C +ATOM 514 HB1 PHE 31 35.114 43.458 59.222 1.00 0.00 H +ATOM 515 HB2 PHE 31 36.450 43.182 57.922 1.00 0.00 H +ATOM 516 CG PHE 31 37.160 43.130 59.840 1.00 0.00 C +ATOM 517 CD1 PHE 31 38.500 42.880 59.430 1.00 0.00 C +ATOM 518 HD1 PHE 31 38.808 43.128 58.424 1.00 0.00 H +ATOM 519 CE1 PHE 31 39.480 42.490 60.410 1.00 0.00 C +ATOM 520 HE1 PHE 31 40.506 42.490 60.072 1.00 0.00 H +ATOM 521 CZ PHE 31 39.010 42.120 61.660 1.00 0.00 C +ATOM 522 HZ PHE 31 39.590 41.550 62.370 1.00 0.00 H +ATOM 523 CD2 PHE 31 36.720 42.710 61.130 1.00 0.00 C +ATOM 524 HD2 PHE 31 35.654 42.800 61.280 1.00 0.00 H +ATOM 525 CE2 PHE 31 37.690 42.240 62.050 1.00 0.00 C +ATOM 526 HE2 PHE 31 37.270 41.860 62.970 1.00 0.00 H +ATOM 527 C PHE 31 35.730 45.610 57.460 1.00 0.00 C +ATOM 528 O PHE 31 36.180 45.230 56.400 1.00 0.00 O +ATOM 529 N ILE 32 34.680 46.480 57.480 1.00 0.00 N +ATOM 530 HN ILE 32 34.200 46.640 58.340 1.00 0.00 H +ATOM 531 CA ILE 32 34.130 47.320 56.380 1.00 0.00 C +ATOM 532 HA ILE 32 33.464 47.996 56.896 1.00 0.00 H +ATOM 533 CB ILE 32 35.130 48.330 55.790 1.00 0.00 C +ATOM 534 HB ILE 32 36.034 47.736 55.538 1.00 0.00 H +ATOM 535 CG2 ILE 32 34.630 49.020 54.440 1.00 0.00 C +ATOM 536 1HG2 ILE 32 33.736 49.602 54.752 1.00 0.00 H +ATOM 537 2HG2 ILE 32 35.390 49.750 54.090 1.00 0.00 H +ATOM 538 3HG2 ILE 32 34.248 48.288 53.698 1.00 0.00 H +ATOM 539 CG1 ILE 32 35.510 49.360 56.850 1.00 0.00 C +ATOM 540 1HG1 ILE 32 35.302 50.364 56.422 1.00 0.00 H +ATOM 541 2HG1 ILE 32 34.840 49.250 57.730 1.00 0.00 H +ATOM 542 CD ILE 32 36.940 49.430 57.290 1.00 0.00 C +ATOM 543 HD1 ILE 32 37.280 48.408 57.560 1.00 0.00 H +ATOM 544 HD2 ILE 32 37.586 49.798 56.464 1.00 0.00 H +ATOM 545 HD3 ILE 32 37.000 50.224 58.064 1.00 0.00 H +ATOM 546 C ILE 32 33.240 46.580 55.400 1.00 0.00 C +ATOM 547 O ILE 32 32.050 46.840 55.260 1.00 0.00 O +ATOM 548 N GLY 33 33.770 45.490 54.750 1.00 0.00 N +ATOM 549 HN GLY 33 34.700 45.210 54.980 1.00 0.00 H +ATOM 550 CA GLY 33 33.060 44.810 53.660 1.00 0.00 C +ATOM 551 HA1 GLY 33 32.370 44.140 54.150 1.00 0.00 H +ATOM 552 HA2 GLY 33 32.650 45.550 52.990 1.00 0.00 H +ATOM 553 C GLY 33 34.030 43.930 52.890 1.00 0.00 C +ATOM 554 O GLY 33 35.180 43.880 53.420 1.00 0.00 O +ATOM 555 N GLY 34 33.630 43.400 51.690 1.00 0.00 N +ATOM 556 HN GLY 34 32.680 43.480 51.400 1.00 0.00 H +ATOM 557 CA GLY 34 34.500 42.730 50.740 1.00 0.00 C +ATOM 558 HA1 GLY 34 33.870 42.030 50.210 1.00 0.00 H +ATOM 559 HA2 GLY 34 34.882 43.484 50.068 1.00 0.00 H +ATOM 560 C GLY 34 35.610 41.860 51.290 1.00 0.00 C +ATOM 561 O GLY 34 35.340 41.000 52.120 1.00 0.00 O +ATOM 562 N ARG 35 36.900 42.090 50.910 1.00 0.00 N +ATOM 563 HN ARG 35 37.030 42.952 50.428 1.00 0.00 H +ATOM 564 CA ARG 35 38.050 41.310 51.310 1.00 0.00 C +ATOM 565 HA ARG 35 38.020 40.344 50.828 1.00 0.00 H +ATOM 566 CB ARG 35 39.330 41.980 50.810 1.00 0.00 C +ATOM 567 HB1 ARG 35 39.370 41.588 49.772 1.00 0.00 H +ATOM 568 HB2 ARG 35 39.120 43.068 50.730 1.00 0.00 H +ATOM 569 CG ARG 35 40.620 41.610 51.570 1.00 0.00 C +ATOM 570 HG1 ARG 35 40.650 42.098 52.568 1.00 0.00 H +ATOM 571 HG2 ARG 35 40.610 40.516 51.760 1.00 0.00 H +ATOM 572 CD ARG 35 41.920 42.140 51.010 1.00 0.00 C +ATOM 573 HD1 ARG 35 42.050 43.242 50.940 1.00 0.00 H +ATOM 574 HD2 ARG 35 42.730 41.800 51.690 1.00 0.00 H +ATOM 575 NE ARG 35 42.140 41.590 49.620 1.00 0.00 N +ATOM 576 HE ARG 35 41.628 40.746 49.460 1.00 0.00 H +ATOM 577 CZ ARG 35 43.300 41.560 49.050 1.00 0.00 C +ATOM 578 NH1 ARG 35 44.260 42.450 49.260 1.00 0.00 N +ATOM 579 1HH1 ARG 35 44.050 43.190 49.900 1.00 0.00 H +ATOM 580 2HH1 ARG 35 45.148 42.130 48.930 1.00 0.00 H +ATOM 581 NH2 ARG 35 43.600 40.640 48.140 1.00 0.00 N +ATOM 582 1HH2 ARG 35 42.920 39.920 48.000 1.00 0.00 H +ATOM 583 2HH2 ARG 35 44.556 40.422 47.940 1.00 0.00 H +ATOM 584 C ARG 35 38.200 41.060 52.830 1.00 0.00 C +ATOM 585 O ARG 35 38.590 39.970 53.340 1.00 0.00 O +ATOM 586 N GLY 36 37.960 42.150 53.620 1.00 0.00 N +ATOM 587 HN GLY 36 37.494 42.964 53.282 1.00 0.00 H +ATOM 588 CA GLY 36 38.060 42.050 55.030 1.00 0.00 C +ATOM 589 HA1 GLY 36 39.014 41.608 55.280 1.00 0.00 H +ATOM 590 HA2 GLY 36 38.000 43.066 55.392 1.00 0.00 H +ATOM 591 C GLY 36 36.940 41.350 55.720 1.00 0.00 C +ATOM 592 O GLY 36 37.160 40.610 56.700 1.00 0.00 O +ATOM 593 N LEU 37 35.720 41.530 55.210 1.00 0.00 N +ATOM 594 HN LEU 37 35.442 42.016 54.386 1.00 0.00 H +ATOM 595 CA LEU 37 34.610 40.750 55.790 1.00 0.00 C +ATOM 596 HA LEU 37 34.580 41.062 56.824 1.00 0.00 H +ATOM 597 CB LEU 37 33.250 41.300 55.120 1.00 0.00 C +ATOM 598 HB1 LEU 37 33.180 42.356 55.458 1.00 0.00 H +ATOM 599 HB2 LEU 37 33.410 41.310 54.020 1.00 0.00 H +ATOM 600 CG LEU 37 31.910 40.530 55.360 1.00 0.00 C +ATOM 601 HG LEU 37 32.010 39.466 55.058 1.00 0.00 H +ATOM 602 CD1 LEU 37 31.380 40.450 56.840 1.00 0.00 C +ATOM 603 1HD1 LEU 37 30.970 41.432 57.160 1.00 0.00 H +ATOM 604 2HD1 LEU 37 30.506 39.766 56.850 1.00 0.00 H +ATOM 605 3HD1 LEU 37 32.146 40.202 57.606 1.00 0.00 H +ATOM 606 CD2 LEU 37 30.790 41.180 54.530 1.00 0.00 C +ATOM 607 1HD2 LEU 37 29.904 40.532 54.700 1.00 0.00 H +ATOM 608 2HD2 LEU 37 30.760 42.252 54.820 1.00 0.00 H +ATOM 609 3HD2 LEU 37 31.138 41.180 53.474 1.00 0.00 H +ATOM 610 C LEU 37 34.780 39.240 55.480 1.00 0.00 C +ATOM 611 O LEU 37 34.530 38.350 56.260 1.00 0.00 O +ATOM 612 N ALA 38 35.300 38.960 54.320 1.00 0.00 N +ATOM 613 HN ALA 38 35.480 39.658 53.632 1.00 0.00 H +ATOM 614 CA ALA 38 35.760 37.640 53.920 1.00 0.00 C +ATOM 615 HA ALA 38 34.930 36.970 54.090 1.00 0.00 H +ATOM 616 CB ALA 38 36.150 37.620 52.390 1.00 0.00 C +ATOM 617 HB1 ALA 38 37.016 38.278 52.160 1.00 0.00 H +ATOM 618 HB2 ALA 38 36.450 36.596 52.080 1.00 0.00 H +ATOM 619 HB3 ALA 38 35.296 37.872 51.726 1.00 0.00 H +ATOM 620 C ALA 38 36.900 37.090 54.780 1.00 0.00 C +ATOM 621 O ALA 38 36.700 35.990 55.320 1.00 0.00 O +ATOM 622 N ALA 39 38.010 37.850 54.970 1.00 0.00 N +ATOM 623 HN ALA 39 38.120 38.742 54.540 1.00 0.00 H +ATOM 624 CA ALA 39 39.100 37.460 55.850 1.00 0.00 C +ATOM 625 HA ALA 39 39.574 36.574 55.458 1.00 0.00 H +ATOM 626 CB ALA 39 40.160 38.560 55.810 1.00 0.00 C +ATOM 627 HB1 ALA 39 40.980 38.560 56.560 1.00 0.00 H +ATOM 628 HB2 ALA 39 40.470 38.560 54.742 1.00 0.00 H +ATOM 629 HB3 ALA 39 39.692 39.556 55.960 1.00 0.00 H +ATOM 630 C ALA 39 38.660 37.180 57.290 1.00 0.00 C +ATOM 631 O ALA 39 39.110 36.190 57.870 1.00 0.00 O +ATOM 632 N TRP 40 37.750 38.000 57.850 1.00 0.00 N +ATOM 633 HN TRP 40 37.590 38.884 57.418 1.00 0.00 H +ATOM 634 CA TRP 40 37.150 37.640 59.110 1.00 0.00 C +ATOM 635 HA TRP 40 37.982 37.450 59.772 1.00 0.00 H +ATOM 636 CB TRP 40 36.280 38.810 59.720 1.00 0.00 C +ATOM 637 HB1 TRP 40 36.986 39.646 59.910 1.00 0.00 H +ATOM 638 HB2 TRP 40 35.650 39.240 58.912 1.00 0.00 H +ATOM 639 CG TRP 40 35.510 38.540 61.000 1.00 0.00 C +ATOM 640 CD1 TRP 40 35.840 38.720 62.410 1.00 0.00 C +ATOM 641 HD1 TRP 40 36.814 39.002 62.782 1.00 0.00 H +ATOM 642 NE1 TRP 40 34.650 38.370 63.160 1.00 0.00 N +ATOM 643 HE1 TRP 40 34.650 38.250 64.128 1.00 0.00 H +ATOM 644 CE2 TRP 40 33.610 38.220 62.270 1.00 0.00 C +ATOM 645 CD2 TRP 40 34.080 38.240 60.990 1.00 0.00 C +ATOM 646 CE3 TRP 40 33.170 38.090 59.980 1.00 0.00 C +ATOM 647 HE3 TRP 40 33.470 38.260 58.958 1.00 0.00 H +ATOM 648 CZ3 TRP 40 31.780 37.830 60.230 1.00 0.00 C +ATOM 649 HZ3 TRP 40 31.122 37.600 59.404 1.00 0.00 H +ATOM 650 CZ2 TRP 40 32.380 37.660 62.550 1.00 0.00 C +ATOM 651 HZ2 TRP 40 32.270 37.250 63.542 1.00 0.00 H +ATOM 652 CH2 TRP 40 31.400 37.510 61.500 1.00 0.00 C +ATOM 653 HH2 TRP 40 30.404 37.142 61.700 1.00 0.00 H +ATOM 654 C TRP 40 36.430 36.290 59.230 1.00 0.00 C +ATOM 655 O TRP 40 36.520 35.500 60.180 1.00 0.00 O +ATOM 656 N ILE 41 35.480 36.030 58.280 1.00 0.00 N +ATOM 657 HN ILE 41 35.260 36.742 57.618 1.00 0.00 H +ATOM 658 CA ILE 41 34.740 34.720 58.370 1.00 0.00 C +ATOM 659 HA ILE 41 34.298 34.660 59.354 1.00 0.00 H +ATOM 660 CB ILE 41 33.660 34.710 57.280 1.00 0.00 C +ATOM 661 HB ILE 41 34.178 34.840 56.304 1.00 0.00 H +ATOM 662 CG2 ILE 41 32.920 33.360 57.400 1.00 0.00 C +ATOM 663 1HG2 ILE 41 32.198 33.330 56.556 1.00 0.00 H +ATOM 664 2HG2 ILE 41 33.650 32.550 57.190 1.00 0.00 H +ATOM 665 3HG2 ILE 41 32.428 33.350 58.396 1.00 0.00 H +ATOM 666 CG1 ILE 41 32.630 35.830 57.340 1.00 0.00 C +ATOM 667 1HG1 ILE 41 31.868 35.730 58.142 1.00 0.00 H +ATOM 668 2HG1 ILE 41 33.140 36.800 57.520 1.00 0.00 H +ATOM 669 CD ILE 41 31.900 36.040 56.010 1.00 0.00 C +ATOM 670 HD1 ILE 41 31.144 36.846 56.130 1.00 0.00 H +ATOM 671 HD2 ILE 41 32.590 36.270 55.170 1.00 0.00 H +ATOM 672 HD3 ILE 41 31.398 35.096 55.708 1.00 0.00 H +ATOM 673 C ILE 41 35.700 33.550 58.210 1.00 0.00 C +ATOM 674 O ILE 41 35.830 32.630 59.050 1.00 0.00 O +ATOM 675 N LEU 42 36.630 33.600 57.150 1.00 0.00 N +ATOM 676 HN LEU 42 36.620 34.376 56.526 1.00 0.00 H +ATOM 677 CA LEU 42 37.620 32.600 56.870 1.00 0.00 C +ATOM 678 HA LEU 42 37.040 31.710 56.680 1.00 0.00 H +ATOM 679 CB LEU 42 38.430 33.020 55.570 1.00 0.00 C +ATOM 680 HB1 LEU 42 38.790 34.040 55.820 1.00 0.00 H +ATOM 681 HB2 LEU 42 39.328 32.392 55.380 1.00 0.00 H +ATOM 682 CG LEU 42 37.660 33.000 54.250 1.00 0.00 C +ATOM 683 HG LEU 42 36.786 33.656 54.448 1.00 0.00 H +ATOM 684 CD1 LEU 42 38.330 33.600 53.010 1.00 0.00 C +ATOM 685 1HD1 LEU 42 39.248 33.032 52.750 1.00 0.00 H +ATOM 686 2HD1 LEU 42 37.570 33.580 52.200 1.00 0.00 H +ATOM 687 3HD1 LEU 42 38.600 34.668 53.160 1.00 0.00 H +ATOM 688 CD2 LEU 42 37.080 31.630 53.960 1.00 0.00 C +ATOM 689 1HD2 LEU 42 37.988 31.062 53.660 1.00 0.00 H +ATOM 690 2HD2 LEU 42 36.500 31.170 54.790 1.00 0.00 H +ATOM 691 3HD2 LEU 42 36.396 31.660 53.086 1.00 0.00 H +ATOM 692 C LEU 42 38.550 32.350 58.020 1.00 0.00 C +ATOM 693 O LEU 42 38.820 31.180 58.310 1.00 0.00 O +ATOM 694 N TRP 43 38.960 33.400 58.780 1.00 0.00 N +ATOM 695 HN TRP 43 38.750 34.324 58.468 1.00 0.00 H +ATOM 696 CA TRP 43 39.710 33.210 60.030 1.00 0.00 C +ATOM 697 HA TRP 43 40.590 32.630 59.790 1.00 0.00 H +ATOM 698 CB TRP 43 40.200 34.630 60.500 1.00 0.00 C +ATOM 699 HB1 TRP 43 40.972 34.930 59.758 1.00 0.00 H +ATOM 700 HB2 TRP 43 39.292 35.270 60.510 1.00 0.00 H +ATOM 701 CG TRP 43 40.910 34.630 61.850 1.00 0.00 C +ATOM 702 CD1 TRP 43 40.250 34.810 63.090 1.00 0.00 C +ATOM 703 HD1 TRP 43 39.252 35.190 63.250 1.00 0.00 H +ATOM 704 NE1 TRP 43 41.020 34.330 64.050 1.00 0.00 N +ATOM 705 HE1 TRP 43 40.760 34.310 64.990 1.00 0.00 H +ATOM 706 CE2 TRP 43 42.170 33.850 63.600 1.00 0.00 C +ATOM 707 CD2 TRP 43 42.190 34.080 62.190 1.00 0.00 C +ATOM 708 CE3 TRP 43 43.290 33.620 61.450 1.00 0.00 C +ATOM 709 HE3 TRP 43 43.300 33.810 60.388 1.00 0.00 H +ATOM 710 CZ3 TRP 43 44.400 33.130 62.120 1.00 0.00 C +ATOM 711 HZ3 TRP 43 45.210 32.710 61.540 1.00 0.00 H +ATOM 712 CZ2 TRP 43 43.270 33.320 64.280 1.00 0.00 C +ATOM 713 HZ2 TRP 43 43.280 33.090 65.334 1.00 0.00 H +ATOM 714 CH2 TRP 43 44.340 32.920 63.510 1.00 0.00 C +ATOM 715 HH2 TRP 43 45.108 32.332 63.990 1.00 0.00 H +ATOM 716 C TRP 43 38.940 32.430 61.090 1.00 0.00 C +ATOM 717 O TRP 43 39.480 31.490 61.660 1.00 0.00 O +ATOM 718 N ASN 44 37.700 32.790 61.340 1.00 0.00 N +ATOM 719 HN ASN 44 37.250 33.350 60.650 1.00 0.00 H +ATOM 720 CA ASN 44 36.800 32.050 62.200 1.00 0.00 C +ATOM 721 HA ASN 44 37.368 31.850 63.096 1.00 0.00 H +ATOM 722 CB ASN 44 35.500 32.850 62.500 1.00 0.00 C +ATOM 723 HB1 ASN 44 35.040 33.350 61.620 1.00 0.00 H +ATOM 724 HB2 ASN 44 34.710 32.190 62.920 1.00 0.00 H +ATOM 725 CG ASN 44 35.890 33.830 63.590 1.00 0.00 C +ATOM 726 OD1 ASN 44 36.080 33.400 64.750 1.00 0.00 O +ATOM 727 ND2 ASN 44 36.030 35.080 63.250 1.00 0.00 N +ATOM 728 1HD2 ASN 44 36.150 35.280 62.278 1.00 0.00 H +ATOM 729 2HD2 ASN 44 36.280 35.730 63.968 1.00 0.00 H +ATOM 730 C ASN 44 36.460 30.620 61.680 1.00 0.00 C +ATOM 731 O ASN 44 36.420 29.680 62.410 1.00 0.00 O +ATOM 732 N GLU 45 36.210 30.470 60.430 1.00 0.00 N +ATOM 733 HN GLU 45 36.330 31.262 59.838 1.00 0.00 H +ATOM 734 CA GLU 45 35.340 29.400 59.930 1.00 0.00 C +ATOM 735 HA GLU 45 34.978 28.848 60.784 1.00 0.00 H +ATOM 736 CB GLU 45 34.100 30.010 59.320 1.00 0.00 C +ATOM 737 HB1 GLU 45 34.400 30.772 58.568 1.00 0.00 H +ATOM 738 HB2 GLU 45 33.552 29.274 58.692 1.00 0.00 H +ATOM 739 CG GLU 45 33.250 30.760 60.340 1.00 0.00 C +ATOM 740 HG1 GLU 45 33.110 30.092 61.218 1.00 0.00 H +ATOM 741 HG2 GLU 45 33.630 31.720 60.750 1.00 0.00 H +ATOM 742 CD GLU 45 31.820 31.020 59.830 1.00 0.00 C +ATOM 743 OE1 GLU 45 31.130 31.960 60.350 1.00 0.00 O +ATOM 744 OE2 GLU 45 31.400 30.240 58.910 1.00 0.00 O +ATOM 745 C GLU 45 35.960 28.340 59.130 1.00 0.00 C +ATOM 746 O GLU 45 35.380 27.280 58.900 1.00 0.00 O +ATOM 747 N ALA 46 37.230 28.600 58.730 1.00 0.00 N +ATOM 748 HN ALA 46 37.678 29.466 58.940 1.00 0.00 H +ATOM 749 CA ALA 46 37.860 27.730 57.780 1.00 0.00 C +ATOM 750 HA ALA 46 37.370 26.770 57.730 1.00 0.00 H +ATOM 751 CB ALA 46 37.770 28.360 56.340 1.00 0.00 C +ATOM 752 HB1 ALA 46 38.328 27.632 55.712 1.00 0.00 H +ATOM 753 HB2 ALA 46 36.728 28.150 56.020 1.00 0.00 H +ATOM 754 HB3 ALA 46 38.100 29.420 56.310 1.00 0.00 H +ATOM 755 C ALA 46 39.280 27.520 58.240 1.00 0.00 C +ATOM 756 O ALA 46 40.180 27.980 57.570 1.00 0.00 O +ATOM 757 N ARG 47 39.460 26.840 59.410 1.00 0.00 N +ATOM 758 HN ARG 47 38.602 26.670 59.888 1.00 0.00 H +ATOM 759 CA ARG 47 40.700 26.500 59.940 1.00 0.00 C +ATOM 760 HA ARG 47 41.514 27.006 59.444 1.00 0.00 H +ATOM 761 CB ARG 47 40.680 26.810 61.470 1.00 0.00 C +ATOM 762 HB1 ARG 47 40.750 27.914 61.580 1.00 0.00 H +ATOM 763 HB2 ARG 47 39.728 26.410 61.880 1.00 0.00 H +ATOM 764 CG ARG 47 41.800 26.160 62.270 1.00 0.00 C +ATOM 765 HG1 ARG 47 42.330 25.450 61.600 1.00 0.00 H +ATOM 766 HG2 ARG 47 42.644 26.836 62.528 1.00 0.00 H +ATOM 767 CD ARG 47 41.300 25.460 63.490 1.00 0.00 C +ATOM 768 HD1 ARG 47 40.516 24.696 63.308 1.00 0.00 H +ATOM 769 HD2 ARG 47 42.086 24.914 64.056 1.00 0.00 H +ATOM 770 NE ARG 47 40.690 26.490 64.340 1.00 0.00 N +ATOM 771 HE ARG 47 39.802 26.890 64.110 1.00 0.00 H +ATOM 772 CZ ARG 47 41.190 27.050 65.410 1.00 0.00 C +ATOM 773 NH1 ARG 47 42.380 26.770 65.950 1.00 0.00 N +ATOM 774 1HH1 ARG 47 43.074 26.254 65.444 1.00 0.00 H +ATOM 775 2HH1 ARG 47 42.722 27.302 66.724 1.00 0.00 H +ATOM 776 NH2 ARG 47 40.550 28.030 66.030 1.00 0.00 N +ATOM 777 1HH2 ARG 47 39.622 28.280 65.750 1.00 0.00 H +ATOM 778 2HH2 ARG 47 40.912 28.202 66.946 1.00 0.00 H +ATOM 779 C ARG 47 40.930 25.030 59.720 1.00 0.00 C +ATOM 780 O ARG 47 40.190 24.190 60.180 1.00 0.00 O +ATOM 781 N GLY 48 41.970 24.690 58.930 1.00 0.00 N +ATOM 782 HN GLY 48 42.690 25.300 58.610 1.00 0.00 H +ATOM 783 CA GLY 48 42.470 23.250 58.810 1.00 0.00 C +ATOM 784 HA1 GLY 48 43.448 23.260 58.352 1.00 0.00 H +ATOM 785 HA2 GLY 48 42.440 22.900 59.830 1.00 0.00 H +ATOM 786 C GLY 48 41.650 22.300 58.000 1.00 0.00 C +ATOM 787 O GLY 48 41.920 21.110 57.890 1.00 0.00 O +ATOM 788 N VAL 49 40.700 22.930 57.290 1.00 0.00 N +ATOM 789 HN VAL 49 40.610 23.888 57.550 1.00 0.00 H +ATOM 790 CA VAL 49 39.870 22.510 56.270 1.00 0.00 C +ATOM 791 HA VAL 49 39.550 21.528 56.580 1.00 0.00 H +ATOM 792 CB VAL 49 38.730 23.440 55.990 1.00 0.00 C +ATOM 793 HB VAL 49 38.132 23.042 55.142 1.00 0.00 H +ATOM 794 CG1 VAL 49 37.860 23.510 57.230 1.00 0.00 C +ATOM 795 1HG1 VAL 49 37.552 22.496 57.568 1.00 0.00 H +ATOM 796 2HG1 VAL 49 38.410 24.020 58.050 1.00 0.00 H +ATOM 797 3HG1 VAL 49 36.872 23.980 57.040 1.00 0.00 H +ATOM 798 CG2 VAL 49 39.120 24.910 55.520 1.00 0.00 C +ATOM 799 1HG2 VAL 49 38.212 25.478 55.220 1.00 0.00 H +ATOM 800 2HG2 VAL 49 39.838 25.500 56.128 1.00 0.00 H +ATOM 801 3HG2 VAL 49 39.650 24.690 54.570 1.00 0.00 H +ATOM 802 C VAL 49 40.710 22.230 54.900 1.00 0.00 C +ATOM 803 O VAL 49 41.420 23.130 54.380 1.00 0.00 O +ATOM 804 N GLU 50 40.600 21.080 54.280 1.00 0.00 N +ATOM 805 HN GLU 50 40.004 20.324 54.538 1.00 0.00 H +ATOM 806 CA GLU 50 41.330 20.900 53.010 1.00 0.00 C +ATOM 807 HA GLU 50 42.318 21.330 53.080 1.00 0.00 H +ATOM 808 CB GLU 50 41.480 19.380 52.690 1.00 0.00 C +ATOM 809 HB1 GLU 50 40.492 18.916 52.892 1.00 0.00 H +ATOM 810 HB2 GLU 50 41.630 19.160 51.612 1.00 0.00 H +ATOM 811 CG GLU 50 42.670 18.720 53.560 1.00 0.00 C +ATOM 812 HG1 GLU 50 42.450 18.980 54.618 1.00 0.00 H +ATOM 813 HG2 GLU 50 42.540 17.618 53.530 1.00 0.00 H +ATOM 814 CD GLU 50 44.050 19.090 53.100 1.00 0.00 C +ATOM 815 OE1 GLU 50 44.740 19.550 53.990 1.00 0.00 O +ATOM 816 OE2 GLU 50 44.470 18.950 51.880 1.00 0.00 O +ATOM 817 C GLU 50 40.780 21.800 51.820 1.00 0.00 C +ATOM 818 O GLU 50 39.600 22.160 51.920 1.00 0.00 O +ATOM 819 N PRO 51 41.480 22.260 50.740 1.00 0.00 N +ATOM 820 CD PRO 51 42.970 22.360 50.690 1.00 0.00 C +ATOM 821 HD1 PRO 51 43.302 21.516 50.048 1.00 0.00 H +ATOM 822 HD2 PRO 51 43.530 22.380 51.650 1.00 0.00 H +ATOM 823 CA PRO 51 40.910 23.290 49.930 1.00 0.00 C +ATOM 824 HA PRO 51 40.540 24.122 50.510 1.00 0.00 H +ATOM 825 CB PRO 51 42.040 23.810 49.040 1.00 0.00 C +ATOM 826 HB1 PRO 51 42.222 23.046 48.256 1.00 0.00 H +ATOM 827 HB2 PRO 51 41.790 24.822 48.658 1.00 0.00 H +ATOM 828 CG PRO 51 43.240 23.720 49.990 1.00 0.00 C +ATOM 829 HG1 PRO 51 44.130 23.850 49.340 1.00 0.00 H +ATOM 830 HG2 PRO 51 43.210 24.558 50.718 1.00 0.00 H +ATOM 831 C PRO 51 39.740 22.840 49.050 1.00 0.00 C +ATOM 832 O PRO 51 38.850 23.650 48.930 1.00 0.00 O +ATOM 833 N LEU 52 39.760 21.680 48.390 1.00 0.00 N +ATOM 834 HN LEU 52 40.616 21.176 48.310 1.00 0.00 H +ATOM 835 CA LEU 52 38.620 21.220 47.580 1.00 0.00 C +ATOM 836 HA LEU 52 38.108 22.082 47.178 1.00 0.00 H +ATOM 837 CB LEU 52 39.110 20.280 46.430 1.00 0.00 C +ATOM 838 HB1 LEU 52 39.492 19.408 47.002 1.00 0.00 H +ATOM 839 HB2 LEU 52 38.284 20.042 45.724 1.00 0.00 H +ATOM 840 CG LEU 52 40.210 20.880 45.490 1.00 0.00 C +ATOM 841 HG LEU 52 41.170 21.110 46.000 1.00 0.00 H +ATOM 842 CD1 LEU 52 40.580 19.750 44.400 1.00 0.00 C +ATOM 843 1HD1 LEU 52 39.642 19.570 43.832 1.00 0.00 H +ATOM 844 2HD1 LEU 52 41.482 20.110 43.860 1.00 0.00 H +ATOM 845 3HD1 LEU 52 40.870 18.788 44.872 1.00 0.00 H +ATOM 846 CD2 LEU 52 39.840 22.120 44.690 1.00 0.00 C +ATOM 847 1HD2 LEU 52 40.670 22.410 44.010 1.00 0.00 H +ATOM 848 2HD2 LEU 52 38.860 21.930 44.200 1.00 0.00 H +ATOM 849 3HD2 LEU 52 39.720 22.976 45.388 1.00 0.00 H +ATOM 850 C LEU 52 37.620 20.460 48.370 1.00 0.00 C +ATOM 851 O LEU 52 36.750 19.810 47.870 1.00 0.00 O +ATOM 852 N SER 53 37.670 20.490 49.730 1.00 0.00 N +ATOM 853 HN SER 53 38.398 21.068 50.090 1.00 0.00 H +ATOM 854 CA SER 53 36.790 19.700 50.590 1.00 0.00 C +ATOM 855 HA SER 53 36.740 18.714 50.152 1.00 0.00 H +ATOM 856 CB SER 53 37.520 19.580 51.990 1.00 0.00 C +ATOM 857 HB1 SER 53 37.012 18.792 52.588 1.00 0.00 H +ATOM 858 HB2 SER 53 38.588 19.290 51.890 1.00 0.00 H +ATOM 859 OG SER 53 37.480 20.790 52.770 1.00 0.00 O +ATOM 860 HG1 SER 53 37.948 21.466 52.272 1.00 0.00 H +ATOM 861 C SER 53 35.430 20.360 50.820 1.00 0.00 C +ATOM 862 O SER 53 35.250 21.590 50.750 1.00 0.00 O +ATOM 863 N PRO 54 34.380 19.580 51.160 1.00 0.00 N +ATOM 864 CD PRO 54 34.200 18.160 50.710 1.00 0.00 C +ATOM 865 HD1 PRO 54 35.062 17.660 51.200 1.00 0.00 H +ATOM 866 HD2 PRO 54 34.440 17.920 49.652 1.00 0.00 H +ATOM 867 CA PRO 54 33.100 20.180 51.570 1.00 0.00 C +ATOM 868 HA PRO 54 32.672 20.758 50.764 1.00 0.00 H +ATOM 869 CB PRO 54 32.270 18.870 51.980 1.00 0.00 C +ATOM 870 HB1 PRO 54 32.502 18.538 53.014 1.00 0.00 H +ATOM 871 HB2 PRO 54 31.198 19.160 51.940 1.00 0.00 H +ATOM 872 CG PRO 54 32.800 17.730 51.040 1.00 0.00 C +ATOM 873 HG1 PRO 54 32.720 16.682 51.400 1.00 0.00 H +ATOM 874 HG2 PRO 54 32.074 17.840 50.206 1.00 0.00 H +ATOM 875 C PRO 54 33.240 21.230 52.710 1.00 0.00 C +ATOM 876 O PRO 54 32.490 22.190 52.730 1.00 0.00 O +ATOM 877 N GLU 55 34.180 21.000 53.670 1.00 0.00 N +ATOM 878 HN GLU 55 34.642 20.118 53.640 1.00 0.00 H +ATOM 879 CA GLU 55 34.420 21.830 54.870 1.00 0.00 C +ATOM 880 HA GLU 55 33.452 21.920 55.340 1.00 0.00 H +ATOM 881 CB GLU 55 35.500 21.240 55.850 1.00 0.00 C +ATOM 882 HB1 GLU 55 36.396 21.070 55.214 1.00 0.00 H +ATOM 883 HB2 GLU 55 35.828 22.016 56.576 1.00 0.00 H +ATOM 884 CG GLU 55 35.040 19.910 56.560 1.00 0.00 C +ATOM 885 HG1 GLU 55 35.880 19.650 57.240 1.00 0.00 H +ATOM 886 HG2 GLU 55 34.086 20.070 57.106 1.00 0.00 H +ATOM 887 CD GLU 55 34.780 18.720 55.620 1.00 0.00 C +ATOM 888 OE1 GLU 55 33.690 18.120 55.600 1.00 0.00 O +ATOM 889 OE2 GLU 55 35.720 18.380 54.840 1.00 0.00 O +ATOM 890 C GLU 55 34.960 23.180 54.410 1.00 0.00 C +ATOM 891 O GLU 55 34.710 24.170 55.070 1.00 0.00 O +ATOM 892 N ASN 56 35.640 23.300 53.210 1.00 0.00 N +ATOM 893 HN ASN 56 35.700 22.516 52.598 1.00 0.00 H +ATOM 894 CA ASN 56 36.080 24.600 52.880 1.00 0.00 C +ATOM 895 HA ASN 56 36.448 25.078 53.776 1.00 0.00 H +ATOM 896 CB ASN 56 37.070 24.500 51.760 1.00 0.00 C +ATOM 897 HB1 ASN 56 37.846 23.734 51.970 1.00 0.00 H +ATOM 898 HB2 ASN 56 36.602 24.242 50.786 1.00 0.00 H +ATOM 899 CG ASN 56 37.910 25.760 51.660 1.00 0.00 C +ATOM 900 OD1 ASN 56 38.040 26.520 52.590 1.00 0.00 O +ATOM 901 ND2 ASN 56 38.440 25.990 50.420 1.00 0.00 N +ATOM 902 1HD2 ASN 56 38.520 25.144 49.896 1.00 0.00 H +ATOM 903 2HD2 ASN 56 38.940 26.848 50.300 1.00 0.00 H +ATOM 904 C ASN 56 34.900 25.560 52.540 1.00 0.00 C +ATOM 905 O ASN 56 34.040 25.250 51.770 1.00 0.00 O +ATOM 906 N LYS 57 34.920 26.800 53.100 1.00 0.00 N +ATOM 907 HN LYS 57 35.590 27.060 53.790 1.00 0.00 H +ATOM 908 CA LYS 57 33.950 27.760 52.740 1.00 0.00 C +ATOM 909 HA LYS 57 32.970 27.350 52.540 1.00 0.00 H +ATOM 910 CB LYS 57 33.720 28.820 53.870 1.00 0.00 C +ATOM 911 HB1 LYS 57 34.616 29.476 53.830 1.00 0.00 H +ATOM 912 HB2 LYS 57 32.818 29.422 53.630 1.00 0.00 H +ATOM 913 CG LYS 57 33.730 28.300 55.300 1.00 0.00 C +ATOM 914 HG1 LYS 57 34.640 27.770 55.650 1.00 0.00 H +ATOM 915 HG2 LYS 57 33.530 29.228 55.878 1.00 0.00 H +ATOM 916 CD LYS 57 32.600 27.310 55.470 1.00 0.00 C +ATOM 917 HD1 LYS 57 31.630 27.790 55.220 1.00 0.00 H +ATOM 918 HD2 LYS 57 32.780 26.510 54.720 1.00 0.00 H +ATOM 919 CE LYS 57 32.620 26.650 56.860 1.00 0.00 C +ATOM 920 HE1 LYS 57 33.618 26.162 56.900 1.00 0.00 H +ATOM 921 HE2 LYS 57 32.490 27.444 57.624 1.00 0.00 H +ATOM 922 NZ LYS 57 31.640 25.640 56.970 1.00 0.00 N +ATOM 923 HZ1 LYS 57 31.570 25.220 57.920 1.00 0.00 H +ATOM 924 HZ2 LYS 57 30.722 26.090 56.780 1.00 0.00 H +ATOM 925 HZ3 LYS 57 31.720 24.850 56.300 1.00 0.00 H +ATOM 926 C LYS 57 34.330 28.530 51.490 1.00 0.00 C +ATOM 927 O LYS 57 35.440 28.870 51.160 1.00 0.00 O +ATOM 928 N LEU 58 33.330 28.970 50.670 1.00 0.00 N +ATOM 929 HN LEU 58 32.408 28.640 50.850 1.00 0.00 H +ATOM 930 CA LEU 58 33.510 29.850 49.520 1.00 0.00 C +ATOM 931 HA LEU 58 34.532 30.060 49.240 1.00 0.00 H +ATOM 932 CB LEU 58 32.840 29.150 48.320 1.00 0.00 C +ATOM 933 HB1 LEU 58 33.598 28.392 48.030 1.00 0.00 H +ATOM 934 HB2 LEU 58 31.860 28.680 48.550 1.00 0.00 H +ATOM 935 CG LEU 58 32.790 29.930 46.980 1.00 0.00 C +ATOM 936 HG LEU 58 32.152 30.836 47.070 1.00 0.00 H +ATOM 937 CD1 LEU 58 34.210 30.390 46.480 1.00 0.00 C +ATOM 938 1HD1 LEU 58 34.210 30.862 45.476 1.00 0.00 H +ATOM 939 2HD1 LEU 58 34.658 31.158 47.148 1.00 0.00 H +ATOM 940 3HD1 LEU 58 34.870 29.500 46.390 1.00 0.00 H +ATOM 941 CD2 LEU 58 32.240 28.960 45.950 1.00 0.00 C +ATOM 942 1HD2 LEU 58 31.176 29.180 45.720 1.00 0.00 H +ATOM 943 2HD2 LEU 58 32.822 29.242 45.046 1.00 0.00 H +ATOM 944 3HD2 LEU 58 32.370 27.918 46.310 1.00 0.00 H +ATOM 945 C LEU 58 32.690 31.040 49.910 1.00 0.00 C +ATOM 946 O LEU 58 31.560 30.980 50.290 1.00 0.00 O +ATOM 947 N ILE 59 33.340 32.220 49.790 1.00 0.00 N +ATOM 948 HN ILE 59 34.228 32.270 49.340 1.00 0.00 H +ATOM 949 CA ILE 59 32.560 33.480 50.050 1.00 0.00 C +ATOM 950 HA ILE 59 31.538 33.310 50.350 1.00 0.00 H +ATOM 951 CB ILE 59 33.370 34.240 51.200 1.00 0.00 C +ATOM 952 HB ILE 59 34.274 34.672 50.718 1.00 0.00 H +ATOM 953 CG2 ILE 59 32.560 35.410 51.730 1.00 0.00 C +ATOM 954 1HG2 ILE 59 31.570 35.120 52.140 1.00 0.00 H +ATOM 955 2HG2 ILE 59 33.088 35.878 52.588 1.00 0.00 H +ATOM 956 3HG2 ILE 59 32.430 36.200 50.960 1.00 0.00 H +ATOM 957 CG1 ILE 59 33.710 33.200 52.340 1.00 0.00 C +ATOM 958 1HG1 ILE 59 32.872 32.522 52.610 1.00 0.00 H +ATOM 959 2HG1 ILE 59 34.482 32.568 51.850 1.00 0.00 H +ATOM 960 CD ILE 59 34.230 33.770 53.640 1.00 0.00 C +ATOM 961 HD1 ILE 59 34.956 34.566 53.362 1.00 0.00 H +ATOM 962 HD2 ILE 59 33.438 34.340 54.170 1.00 0.00 H +ATOM 963 HD3 ILE 59 34.650 33.028 54.352 1.00 0.00 H +ATOM 964 C ILE 59 32.470 34.360 48.870 1.00 0.00 C +ATOM 965 O ILE 59 33.420 34.710 48.180 1.00 0.00 O +ATOM 966 N PHE 60 31.270 34.910 48.590 1.00 0.00 N +ATOM 967 HN PHE 60 30.498 34.558 49.112 1.00 0.00 H +ATOM 968 CA PHE 60 31.130 36.110 47.830 1.00 0.00 C +ATOM 969 HA PHE 60 32.048 36.320 47.302 1.00 0.00 H +ATOM 970 CB PHE 60 29.790 35.880 46.840 1.00 0.00 C +ATOM 971 HB1 PHE 60 28.882 35.760 47.468 1.00 0.00 H +ATOM 972 HB2 PHE 60 29.640 36.828 46.280 1.00 0.00 H +ATOM 973 CG PHE 60 29.950 34.750 45.910 1.00 0.00 C +ATOM 974 CD1 PHE 60 30.780 34.910 44.780 1.00 0.00 C +ATOM 975 HD1 PHE 60 31.162 35.894 44.550 1.00 0.00 H +ATOM 976 CE1 PHE 60 31.060 33.790 43.980 1.00 0.00 C +ATOM 977 HE1 PHE 60 31.706 33.978 43.134 1.00 0.00 H +ATOM 978 CZ PHE 60 30.630 32.540 44.390 1.00 0.00 C +ATOM 979 HZ PHE 60 30.978 31.664 43.862 1.00 0.00 H +ATOM 980 CD2 PHE 60 29.300 33.590 46.130 1.00 0.00 C +ATOM 981 HD2 PHE 60 28.638 33.470 46.974 1.00 0.00 H +ATOM 982 CE2 PHE 60 29.660 32.480 45.380 1.00 0.00 C +ATOM 983 HE2 PHE 60 29.150 31.550 45.580 1.00 0.00 H +ATOM 984 C PHE 60 30.920 37.210 48.770 1.00 0.00 C +ATOM 985 O PHE 60 29.950 37.180 49.530 1.00 0.00 O +ATOM 986 N ALA 61 31.840 38.200 48.810 1.00 0.00 N +ATOM 987 HN ALA 61 32.472 38.360 48.056 1.00 0.00 H +ATOM 988 CA ALA 61 31.610 39.330 49.700 1.00 0.00 C +ATOM 989 HA ALA 61 30.604 39.250 50.088 1.00 0.00 H +ATOM 990 CB ALA 61 32.780 39.380 50.720 1.00 0.00 C +ATOM 991 HB1 ALA 61 32.680 38.470 51.350 1.00 0.00 H +ATOM 992 HB2 ALA 61 33.730 39.250 50.160 1.00 0.00 H +ATOM 993 HB3 ALA 61 32.860 40.244 51.414 1.00 0.00 H +ATOM 994 C ALA 61 31.410 40.640 48.950 1.00 0.00 C +ATOM 995 O ALA 61 32.040 41.020 47.950 1.00 0.00 O +ATOM 996 N ALA 62 30.360 41.360 49.500 1.00 0.00 N +ATOM 997 HN ALA 62 29.814 41.118 50.298 1.00 0.00 H +ATOM 998 CA ALA 62 30.100 42.690 49.000 1.00 0.00 C +ATOM 999 HA ALA 62 30.680 42.960 48.130 1.00 0.00 H +ATOM 1000 CB ALA 62 28.640 42.670 48.670 1.00 0.00 C +ATOM 1001 HB1 ALA 62 28.192 43.654 48.412 1.00 0.00 H +ATOM 1002 HB2 ALA 62 28.470 42.058 47.758 1.00 0.00 H +ATOM 1003 HB3 ALA 62 27.936 42.278 49.434 1.00 0.00 H +ATOM 1004 C ALA 62 30.380 43.710 50.180 1.00 0.00 C +ATOM 1005 O ALA 62 30.620 43.360 51.370 1.00 0.00 O +ATOM 1006 N GLY 63 30.540 45.050 49.860 1.00 0.00 N +ATOM 1007 HN GLY 63 30.390 45.280 48.902 1.00 0.00 H +ATOM 1008 CA GLY 63 30.910 46.110 50.760 1.00 0.00 C +ATOM 1009 HA1 GLY 63 30.780 45.750 51.770 1.00 0.00 H +ATOM 1010 HA2 GLY 63 31.882 46.490 50.480 1.00 0.00 H +ATOM 1011 C GLY 63 29.860 47.210 50.650 1.00 0.00 C +ATOM 1012 O GLY 63 28.910 47.060 49.910 1.00 0.00 O +ATOM 1013 N PRO 64 30.050 48.310 51.420 1.00 0.00 N +ATOM 1014 CD PRO 64 31.230 48.650 52.210 1.00 0.00 C +ATOM 1015 HD1 PRO 64 31.966 49.208 51.592 1.00 0.00 H +ATOM 1016 HD2 PRO 64 31.690 47.760 52.690 1.00 0.00 H +ATOM 1017 CA PRO 64 29.100 49.400 51.400 1.00 0.00 C +ATOM 1018 HA PRO 64 28.190 49.000 51.820 1.00 0.00 H +ATOM 1019 CB PRO 64 29.620 50.420 52.440 1.00 0.00 C +ATOM 1020 HB1 PRO 64 29.920 51.350 51.910 1.00 0.00 H +ATOM 1021 HB2 PRO 64 28.786 50.712 53.114 1.00 0.00 H +ATOM 1022 CG PRO 64 30.690 49.620 53.260 1.00 0.00 C +ATOM 1023 HG1 PRO 64 31.490 50.330 53.560 1.00 0.00 H +ATOM 1024 HG2 PRO 64 30.270 49.010 54.090 1.00 0.00 H +ATOM 1025 C PRO 64 28.720 49.950 50.040 1.00 0.00 C +ATOM 1026 O PRO 64 27.570 50.370 49.860 1.00 0.00 O +ATOM 1027 N PHE 65 29.640 50.110 49.120 1.00 0.00 N +ATOM 1028 HN PHE 65 30.558 49.780 49.330 1.00 0.00 H +ATOM 1029 CA PHE 65 29.550 50.830 47.900 1.00 0.00 C +ATOM 1030 HA PHE 65 29.148 51.816 48.080 1.00 0.00 H +ATOM 1031 CB PHE 65 30.990 51.020 47.300 1.00 0.00 C +ATOM 1032 HB1 PHE 65 31.702 50.168 47.350 1.00 0.00 H +ATOM 1033 HB2 PHE 65 30.860 51.140 46.202 1.00 0.00 H +ATOM 1034 CG PHE 65 31.790 52.270 47.790 1.00 0.00 C +ATOM 1035 CD1 PHE 65 32.550 53.010 46.850 1.00 0.00 C +ATOM 1036 HD1 PHE 65 32.670 52.698 45.824 1.00 0.00 H +ATOM 1037 CE1 PHE 65 33.220 54.180 47.270 1.00 0.00 C +ATOM 1038 HE1 PHE 65 33.964 54.452 46.536 1.00 0.00 H +ATOM 1039 CZ PHE 65 33.130 54.590 48.620 1.00 0.00 C +ATOM 1040 HZ PHE 65 33.618 55.528 48.840 1.00 0.00 H +ATOM 1041 CD2 PHE 65 31.760 52.700 49.130 1.00 0.00 C +ATOM 1042 HD2 PHE 65 31.180 52.210 49.900 1.00 0.00 H +ATOM 1043 CE2 PHE 65 32.400 53.860 49.520 1.00 0.00 C +ATOM 1044 HE2 PHE 65 32.280 54.120 50.562 1.00 0.00 H +ATOM 1045 C PHE 65 28.660 50.190 46.830 1.00 0.00 C +ATOM 1046 O PHE 65 28.120 50.890 46.020 1.00 0.00 O +ATOM 1047 N ASN 66 28.380 48.860 46.830 1.00 0.00 N +ATOM 1048 HN ASN 66 28.702 48.488 47.696 1.00 0.00 H +ATOM 1049 CA ASN 66 27.710 48.160 45.740 1.00 0.00 C +ATOM 1050 HA ASN 66 28.150 48.570 44.842 1.00 0.00 H +ATOM 1051 CB ASN 66 27.920 46.640 45.620 1.00 0.00 C +ATOM 1052 HB1 ASN 66 27.146 46.118 46.222 1.00 0.00 H +ATOM 1053 HB2 ASN 66 27.720 46.220 44.610 1.00 0.00 H +ATOM 1054 CG ASN 66 29.280 46.180 46.110 1.00 0.00 C +ATOM 1055 OD1 ASN 66 29.400 45.400 47.020 1.00 0.00 O +ATOM 1056 ND2 ASN 66 30.400 46.740 45.600 1.00 0.00 N +ATOM 1057 1HD2 ASN 66 30.230 47.456 44.922 1.00 0.00 H +ATOM 1058 2HD2 ASN 66 31.304 46.620 46.012 1.00 0.00 H +ATOM 1059 C ASN 66 26.210 48.380 45.680 1.00 0.00 C +ATOM 1060 O ASN 66 25.450 48.020 46.630 1.00 0.00 O +ATOM 1061 N GLY 67 25.710 48.880 44.570 1.00 0.00 N +ATOM 1062 HN GLY 67 26.290 49.070 43.780 1.00 0.00 H +ATOM 1063 CA GLY 67 24.270 49.040 44.280 1.00 0.00 C +ATOM 1064 HA1 GLY 67 24.240 48.940 43.206 1.00 0.00 H +ATOM 1065 HA2 GLY 67 23.652 48.362 44.848 1.00 0.00 H +ATOM 1066 C GLY 67 23.770 50.430 44.680 1.00 0.00 C +ATOM 1067 O GLY 67 22.600 50.600 44.890 1.00 0.00 O +ATOM 1068 N LEU 68 24.680 51.380 44.770 1.00 0.00 N +ATOM 1069 HN LEU 68 25.590 51.120 44.460 1.00 0.00 H +ATOM 1070 CA LEU 68 24.500 52.790 45.190 1.00 0.00 C +ATOM 1071 HA LEU 68 23.446 53.020 45.140 1.00 0.00 H +ATOM 1072 CB LEU 68 25.180 52.980 46.530 1.00 0.00 C +ATOM 1073 HB1 LEU 68 26.256 52.702 46.530 1.00 0.00 H +ATOM 1074 HB2 LEU 68 25.250 54.038 46.860 1.00 0.00 H +ATOM 1075 CG LEU 68 24.410 52.310 47.700 1.00 0.00 C +ATOM 1076 HG LEU 68 24.300 51.242 47.410 1.00 0.00 H +ATOM 1077 CD1 LEU 68 25.130 52.470 48.980 1.00 0.00 C +ATOM 1078 1HD1 LEU 68 26.220 52.260 48.950 1.00 0.00 H +ATOM 1079 2HD1 LEU 68 25.050 53.476 49.448 1.00 0.00 H +ATOM 1080 3HD1 LEU 68 24.730 51.822 49.788 1.00 0.00 H +ATOM 1081 CD2 LEU 68 22.990 52.850 47.910 1.00 0.00 C +ATOM 1082 1HD2 LEU 68 22.960 53.952 48.040 1.00 0.00 H +ATOM 1083 2HD2 LEU 68 22.282 52.600 47.092 1.00 0.00 H +ATOM 1084 3HD2 LEU 68 22.448 52.368 48.752 1.00 0.00 H +ATOM 1085 C LEU 68 25.240 53.590 44.130 1.00 0.00 C +ATOM 1086 O LEU 68 26.150 53.000 43.490 1.00 0.00 O +ATOM 1087 N PRO 69 24.980 54.810 43.760 1.00 0.00 N +ATOM 1088 CD PRO 69 24.130 55.680 44.580 1.00 0.00 C +ATOM 1089 HD1 PRO 69 24.320 55.460 45.652 1.00 0.00 H +ATOM 1090 HD2 PRO 69 23.096 55.510 44.208 1.00 0.00 H +ATOM 1091 CA PRO 69 25.630 55.500 42.620 1.00 0.00 C +ATOM 1092 HA PRO 69 25.400 54.988 41.698 1.00 0.00 H +ATOM 1093 CB PRO 69 24.830 56.810 42.560 1.00 0.00 C +ATOM 1094 HB1 PRO 69 25.240 57.642 41.948 1.00 0.00 H +ATOM 1095 HB2 PRO 69 23.834 56.680 42.082 1.00 0.00 H +ATOM 1096 CG PRO 69 24.630 57.120 44.070 1.00 0.00 C +ATOM 1097 HG1 PRO 69 25.580 57.490 44.510 1.00 0.00 H +ATOM 1098 HG2 PRO 69 23.822 57.878 44.160 1.00 0.00 H +ATOM 1099 C PRO 69 27.120 55.750 42.660 1.00 0.00 C +ATOM 1100 O PRO 69 27.520 56.600 41.870 1.00 0.00 O +ATOM 1101 N THR 70 27.940 55.080 43.440 1.00 0.00 N +ATOM 1102 HN THR 70 27.548 54.296 43.912 1.00 0.00 H +ATOM 1103 CA THR 70 29.380 55.350 43.660 1.00 0.00 C +ATOM 1104 HA THR 70 29.480 56.368 44.010 1.00 0.00 H +ATOM 1105 CB THR 70 30.010 54.520 44.850 1.00 0.00 C +ATOM 1106 HB THR 70 31.088 54.780 44.910 1.00 0.00 H +ATOM 1107 OG1 THR 70 29.810 53.110 44.740 1.00 0.00 O +ATOM 1108 HG1 THR 70 29.308 52.910 43.946 1.00 0.00 H +ATOM 1109 CG2 THR 70 29.260 55.040 46.100 1.00 0.00 C +ATOM 1110 1HG2 THR 70 29.660 54.630 47.052 1.00 0.00 H +ATOM 1111 2HG2 THR 70 29.400 56.142 46.140 1.00 0.00 H +ATOM 1112 3HG2 THR 70 28.208 54.690 46.170 1.00 0.00 H +ATOM 1113 C THR 70 30.160 55.230 42.450 1.00 0.00 C +ATOM 1114 O THR 70 29.900 54.270 41.670 1.00 0.00 O +ATOM 1115 N PRO 71 31.110 56.090 41.990 1.00 0.00 N +ATOM 1116 CD PRO 71 31.480 57.350 42.650 1.00 0.00 C +ATOM 1117 HD1 PRO 71 32.072 57.058 43.544 1.00 0.00 H +ATOM 1118 HD2 PRO 71 30.594 57.898 43.038 1.00 0.00 H +ATOM 1119 CA PRO 71 31.950 55.840 40.820 1.00 0.00 C +ATOM 1120 HA PRO 71 31.278 55.910 39.978 1.00 0.00 H +ATOM 1121 CB PRO 71 32.980 56.980 40.810 1.00 0.00 C +ATOM 1122 HB1 PRO 71 33.830 56.790 41.500 1.00 0.00 H +ATOM 1123 HB2 PRO 71 33.372 57.192 39.794 1.00 0.00 H +ATOM 1124 CG PRO 71 32.230 58.170 41.540 1.00 0.00 C +ATOM 1125 HG1 PRO 71 32.820 58.910 42.120 1.00 0.00 H +ATOM 1126 HG2 PRO 71 31.418 58.590 40.908 1.00 0.00 H +ATOM 1127 C PRO 71 32.670 54.510 40.730 1.00 0.00 C +ATOM 1128 O PRO 71 33.740 54.390 41.340 1.00 0.00 O +ATOM 1129 N SER 72 32.220 53.560 39.930 1.00 0.00 N +ATOM 1130 HN SER 72 31.498 53.856 39.308 1.00 0.00 H +ATOM 1131 CA SER 72 32.880 52.220 39.740 1.00 0.00 C +ATOM 1132 HA SER 72 32.370 51.790 38.890 1.00 0.00 H +ATOM 1133 CB SER 72 34.290 52.270 39.170 1.00 0.00 C +ATOM 1134 HB1 SER 72 34.998 52.768 39.868 1.00 0.00 H +ATOM 1135 HB2 SER 72 34.550 51.252 38.810 1.00 0.00 H +ATOM 1136 OG SER 72 34.280 53.160 38.030 1.00 0.00 O +ATOM 1137 HG1 SER 72 33.782 52.642 37.392 1.00 0.00 H +ATOM 1138 C SER 72 32.750 51.260 40.890 1.00 0.00 C +ATOM 1139 O SER 72 33.540 50.350 41.040 1.00 0.00 O +ATOM 1140 N GLY 73 31.720 51.520 41.740 1.00 0.00 N +ATOM 1141 HN GLY 73 31.262 52.386 41.550 1.00 0.00 H +ATOM 1142 CA GLY 73 31.240 50.720 42.910 1.00 0.00 C +ATOM 1143 HA1 GLY 73 32.118 50.600 43.528 1.00 0.00 H +ATOM 1144 HA2 GLY 73 30.434 51.234 43.414 1.00 0.00 H +ATOM 1145 C GLY 73 30.730 49.310 42.640 1.00 0.00 C +ATOM 1146 O GLY 73 30.480 48.500 43.530 1.00 0.00 O +ATOM 1147 N GLY 74 30.660 49.010 41.300 1.00 0.00 N +ATOM 1148 HN GLY 74 30.800 49.752 40.648 1.00 0.00 H +ATOM 1149 CA GLY 74 30.150 47.800 40.700 1.00 0.00 C +ATOM 1150 HA1 GLY 74 29.440 47.440 41.430 1.00 0.00 H +ATOM 1151 HA2 GLY 74 29.968 47.920 39.642 1.00 0.00 H +ATOM 1152 C GLY 74 31.260 46.730 40.750 1.00 0.00 C +ATOM 1153 O GLY 74 31.760 46.430 39.670 1.00 0.00 O +ATOM 1154 N LYS 75 31.590 46.040 41.900 1.00 0.00 N +ATOM 1155 HN LYS 75 31.320 46.380 42.798 1.00 0.00 H +ATOM 1156 CA LYS 75 32.630 45.030 41.900 1.00 0.00 C +ATOM 1157 HA LYS 75 32.640 44.480 40.970 1.00 0.00 H +ATOM 1158 CB LYS 75 34.110 45.530 42.320 1.00 0.00 C +ATOM 1159 HB1 LYS 75 33.890 46.170 43.200 1.00 0.00 H +ATOM 1160 HB2 LYS 75 34.760 44.650 42.510 1.00 0.00 H +ATOM 1161 CG LYS 75 34.770 46.460 41.310 1.00 0.00 C +ATOM 1162 HG1 LYS 75 34.160 47.320 40.960 1.00 0.00 H +ATOM 1163 HG2 LYS 75 35.602 46.900 41.900 1.00 0.00 H +ATOM 1164 CD LYS 75 35.370 45.650 40.090 1.00 0.00 C +ATOM 1165 HD1 LYS 75 35.862 44.718 40.440 1.00 0.00 H +ATOM 1166 HD2 LYS 75 34.436 45.322 39.584 1.00 0.00 H +ATOM 1167 CE LYS 75 36.200 46.440 39.210 1.00 0.00 C +ATOM 1168 HE1 LYS 75 35.568 47.012 38.498 1.00 0.00 H +ATOM 1169 HE2 LYS 75 36.836 47.146 39.786 1.00 0.00 H +ATOM 1170 NZ LYS 75 37.040 45.590 38.410 1.00 0.00 N +ATOM 1171 HZ1 LYS 75 37.722 46.150 37.860 1.00 0.00 H +ATOM 1172 HZ2 LYS 75 37.554 44.946 39.044 1.00 0.00 H +ATOM 1173 HZ3 LYS 75 36.470 45.090 37.700 1.00 0.00 H +ATOM 1174 C LYS 75 32.200 44.070 42.950 1.00 0.00 C +ATOM 1175 O LYS 75 31.300 44.450 43.770 1.00 0.00 O +ATOM 1176 N LEU 76 32.590 42.770 42.900 1.00 0.00 N +ATOM 1177 HN LEU 76 33.256 42.572 42.184 1.00 0.00 H +ATOM 1178 CA LEU 76 32.340 41.800 43.910 1.00 0.00 C +ATOM 1179 HA LEU 76 31.790 42.150 44.770 1.00 0.00 H +ATOM 1180 CB LEU 76 31.540 40.560 43.370 1.00 0.00 C +ATOM 1181 HB1 LEU 76 30.612 40.928 42.882 1.00 0.00 H +ATOM 1182 HB2 LEU 76 32.090 40.080 42.532 1.00 0.00 H +ATOM 1183 CG LEU 76 31.080 39.360 44.280 1.00 0.00 C +ATOM 1184 HG LEU 76 32.098 39.060 44.610 1.00 0.00 H +ATOM 1185 CD1 LEU 76 30.130 39.820 45.430 1.00 0.00 C +ATOM 1186 1HD1 LEU 76 30.010 38.972 46.138 1.00 0.00 H +ATOM 1187 2HD1 LEU 76 30.592 40.644 46.014 1.00 0.00 H +ATOM 1188 3HD1 LEU 76 29.100 40.100 45.120 1.00 0.00 H +ATOM 1189 CD2 LEU 76 30.500 38.180 43.420 1.00 0.00 C +ATOM 1190 1HD2 LEU 76 30.060 37.440 44.120 1.00 0.00 H +ATOM 1191 2HD2 LEU 76 29.684 38.538 42.754 1.00 0.00 H +ATOM 1192 3HD2 LEU 76 31.382 37.790 42.868 1.00 0.00 H +ATOM 1193 C LEU 76 33.690 41.380 44.460 1.00 0.00 C +ATOM 1194 O LEU 76 34.750 41.510 43.800 1.00 0.00 O +ATOM 1195 N VAL 77 33.810 40.840 45.690 1.00 0.00 N +ATOM 1196 HN VAL 77 33.144 40.930 46.426 1.00 0.00 H +ATOM 1197 CA VAL 77 34.930 40.000 46.080 1.00 0.00 C +ATOM 1198 HA VAL 77 35.752 40.120 45.390 1.00 0.00 H +ATOM 1199 CB VAL 77 35.510 40.420 47.460 1.00 0.00 C +ATOM 1200 HB VAL 77 34.718 40.940 48.040 1.00 0.00 H +ATOM 1201 CG1 VAL 77 36.170 39.310 48.270 1.00 0.00 C +ATOM 1202 1HG1 VAL 77 37.042 38.850 47.758 1.00 0.00 H +ATOM 1203 2HG1 VAL 77 36.438 39.808 49.226 1.00 0.00 H +ATOM 1204 3HG1 VAL 77 35.570 38.412 48.530 1.00 0.00 H +ATOM 1205 CG2 VAL 77 36.690 41.380 47.240 1.00 0.00 C +ATOM 1206 1HG2 VAL 77 37.050 41.802 48.202 1.00 0.00 H +ATOM 1207 2HG2 VAL 77 37.472 40.848 46.658 1.00 0.00 H +ATOM 1208 3HG2 VAL 77 36.252 42.178 46.602 1.00 0.00 H +ATOM 1209 C VAL 77 34.550 38.520 46.050 1.00 0.00 C +ATOM 1210 O VAL 77 33.410 38.160 46.400 1.00 0.00 O +ATOM 1211 N VAL 78 35.530 37.650 45.630 1.00 0.00 N +ATOM 1212 HN VAL 78 36.436 37.962 45.358 1.00 0.00 H +ATOM 1213 CA VAL 78 35.260 36.260 45.620 1.00 0.00 C +ATOM 1214 HA VAL 78 34.340 36.060 46.150 1.00 0.00 H +ATOM 1215 CB VAL 78 35.170 35.680 44.240 1.00 0.00 C +ATOM 1216 HB VAL 78 36.140 35.650 43.700 1.00 0.00 H +ATOM 1217 CG1 VAL 78 34.500 34.300 44.460 1.00 0.00 C +ATOM 1218 1HG1 VAL 78 34.092 33.962 43.484 1.00 0.00 H +ATOM 1219 2HG1 VAL 78 35.130 33.528 44.950 1.00 0.00 H +ATOM 1220 3HG1 VAL 78 33.580 34.350 45.080 1.00 0.00 H +ATOM 1221 CG2 VAL 78 34.250 36.450 43.340 1.00 0.00 C +ATOM 1222 1HG2 VAL 78 34.682 37.434 43.058 1.00 0.00 H +ATOM 1223 2HG2 VAL 78 33.988 35.968 42.374 1.00 0.00 H +ATOM 1224 3HG2 VAL 78 33.362 36.620 43.988 1.00 0.00 H +ATOM 1225 C VAL 78 36.430 35.760 46.360 1.00 0.00 C +ATOM 1226 O VAL 78 37.590 36.140 46.050 1.00 0.00 O +ATOM 1227 N ALA 79 36.200 34.920 47.400 1.00 0.00 N +ATOM 1228 HN ALA 79 35.260 34.670 47.620 1.00 0.00 H +ATOM 1229 CA ALA 79 37.210 34.490 48.270 1.00 0.00 C +ATOM 1230 HA ALA 79 38.128 34.440 47.702 1.00 0.00 H +ATOM 1231 CB ALA 79 37.300 35.460 49.450 1.00 0.00 C +ATOM 1232 HB1 ALA 79 38.216 35.190 50.018 1.00 0.00 H +ATOM 1233 HB2 ALA 79 37.310 36.550 49.230 1.00 0.00 H +ATOM 1234 HB3 ALA 79 36.458 35.410 50.172 1.00 0.00 H +ATOM 1235 C ALA 79 37.030 33.030 48.740 1.00 0.00 C +ATOM 1236 O ALA 79 35.920 32.520 48.840 1.00 0.00 O +ATOM 1237 N ALA 80 38.140 32.430 49.210 1.00 0.00 N +ATOM 1238 HN ALA 80 39.050 32.830 49.120 1.00 0.00 H +ATOM 1239 CA ALA 80 38.220 31.090 49.620 1.00 0.00 C +ATOM 1240 HA ALA 80 37.730 31.050 50.582 1.00 0.00 H +ATOM 1241 CB ALA 80 37.650 30.140 48.580 1.00 0.00 C +ATOM 1242 HB1 ALA 80 37.720 29.094 48.948 1.00 0.00 H +ATOM 1243 HB2 ALA 80 36.620 30.310 48.200 1.00 0.00 H +ATOM 1244 HB3 ALA 80 38.300 30.180 47.680 1.00 0.00 H +ATOM 1245 C ALA 80 39.640 30.690 49.880 1.00 0.00 C +ATOM 1246 O ALA 80 40.540 31.140 49.240 1.00 0.00 O +ATOM 1247 N LYS 81 39.880 29.750 50.860 1.00 0.00 N +ATOM 1248 HN LYS 81 39.132 29.490 51.468 1.00 0.00 H +ATOM 1249 CA LYS 81 41.200 29.040 51.020 1.00 0.00 C +ATOM 1250 HA LYS 81 41.948 29.728 51.388 1.00 0.00 H +ATOM 1251 CB LYS 81 41.080 27.870 52.080 1.00 0.00 C +ATOM 1252 HB1 LYS 81 40.870 28.220 53.112 1.00 0.00 H +ATOM 1253 HB2 LYS 81 40.308 27.108 51.840 1.00 0.00 H +ATOM 1254 CG LYS 81 42.470 27.150 52.320 1.00 0.00 C +ATOM 1255 HG1 LYS 81 42.940 26.850 51.360 1.00 0.00 H +ATOM 1256 HG2 LYS 81 43.170 27.910 52.730 1.00 0.00 H +ATOM 1257 CD LYS 81 42.430 26.030 53.390 1.00 0.00 C +ATOM 1258 HD1 LYS 81 41.720 26.230 54.220 1.00 0.00 H +ATOM 1259 HD2 LYS 81 41.920 25.150 52.940 1.00 0.00 H +ATOM 1260 CE LYS 81 43.750 25.590 53.970 1.00 0.00 C +ATOM 1261 HE1 LYS 81 44.480 25.180 53.240 1.00 0.00 H +ATOM 1262 HE2 LYS 81 44.272 26.474 54.392 1.00 0.00 H +ATOM 1263 NZ LYS 81 43.750 24.620 55.090 1.00 0.00 N +ATOM 1264 HZ1 LYS 81 44.672 24.158 55.220 1.00 0.00 H +ATOM 1265 HZ2 LYS 81 43.560 25.070 56.008 1.00 0.00 H +ATOM 1266 HZ3 LYS 81 42.998 23.918 54.930 1.00 0.00 H +ATOM 1267 C LYS 81 41.680 28.360 49.750 1.00 0.00 C +ATOM 1268 O LYS 81 41.120 27.380 49.220 1.00 0.00 O +ATOM 1269 N SER 82 42.810 28.920 49.250 1.00 0.00 N +ATOM 1270 HN SER 82 43.296 29.556 49.846 1.00 0.00 H +ATOM 1271 CA SER 82 43.330 28.650 47.940 1.00 0.00 C +ATOM 1272 HA SER 82 42.650 28.980 47.170 1.00 0.00 H +ATOM 1273 CB SER 82 44.710 29.350 47.890 1.00 0.00 C +ATOM 1274 HB1 SER 82 44.600 30.392 48.260 1.00 0.00 H +ATOM 1275 HB2 SER 82 45.398 28.882 48.628 1.00 0.00 H +ATOM 1276 OG SER 82 45.260 29.370 46.590 1.00 0.00 O +ATOM 1277 HG1 SER 82 45.962 30.022 46.630 1.00 0.00 H +ATOM 1278 C SER 82 43.660 27.220 47.640 1.00 0.00 C +ATOM 1279 O SER 82 44.380 26.580 48.440 1.00 0.00 O +ATOM 1280 N PRO 83 43.110 26.560 46.500 1.00 0.00 N +ATOM 1281 CD PRO 83 42.000 27.000 45.660 1.00 0.00 C +ATOM 1282 HD1 PRO 83 42.230 28.036 45.332 1.00 0.00 H +ATOM 1283 HD2 PRO 83 41.040 27.020 46.220 1.00 0.00 H +ATOM 1284 CA PRO 83 43.530 25.220 46.130 1.00 0.00 C +ATOM 1285 HA PRO 83 43.560 24.610 47.020 1.00 0.00 H +ATOM 1286 CB PRO 83 42.400 24.710 45.160 1.00 0.00 C +ATOM 1287 HB1 PRO 83 42.830 24.060 44.370 1.00 0.00 H +ATOM 1288 HB2 PRO 83 41.560 24.270 45.740 1.00 0.00 H +ATOM 1289 CG PRO 83 41.920 26.020 44.510 1.00 0.00 C +ATOM 1290 HG1 PRO 83 42.714 26.302 43.786 1.00 0.00 H +ATOM 1291 HG2 PRO 83 40.900 25.980 44.070 1.00 0.00 H +ATOM 1292 C PRO 83 44.860 25.190 45.500 1.00 0.00 C +ATOM 1293 O PRO 83 45.600 24.170 45.610 1.00 0.00 O +ATOM 1294 N LEU 84 45.300 26.380 44.880 1.00 0.00 N +ATOM 1295 HN LEU 84 44.772 27.216 44.750 1.00 0.00 H +ATOM 1296 CA LEU 84 46.660 26.490 44.300 1.00 0.00 C +ATOM 1297 HA LEU 84 46.820 25.568 43.760 1.00 0.00 H +ATOM 1298 CB LEU 84 46.660 27.710 43.320 1.00 0.00 C +ATOM 1299 HB1 LEU 84 45.786 27.590 42.646 1.00 0.00 H +ATOM 1300 HB2 LEU 84 46.560 28.616 43.954 1.00 0.00 H +ATOM 1301 CG LEU 84 47.840 27.880 42.370 1.00 0.00 C +ATOM 1302 HG LEU 84 48.768 27.830 42.978 1.00 0.00 H +ATOM 1303 CD1 LEU 84 47.990 26.880 41.260 1.00 0.00 C +ATOM 1304 1HD1 LEU 84 48.908 27.060 40.660 1.00 0.00 H +ATOM 1305 2HD1 LEU 84 48.100 25.852 41.668 1.00 0.00 H +ATOM 1306 3HD1 LEU 84 47.116 26.950 40.578 1.00 0.00 H +ATOM 1307 CD2 LEU 84 47.600 29.320 41.780 1.00 0.00 C +ATOM 1308 1HD2 LEU 84 48.500 29.570 41.180 1.00 0.00 H +ATOM 1309 2HD2 LEU 84 46.824 29.350 40.984 1.00 0.00 H +ATOM 1310 3HD2 LEU 84 47.400 30.014 42.624 1.00 0.00 H +ATOM 1311 C LEU 84 47.760 26.610 45.360 1.00 0.00 C +ATOM 1312 O LEU 84 48.730 25.900 45.370 1.00 0.00 O +ATOM 1313 N THR 85 47.560 27.490 46.340 1.00 0.00 N +ATOM 1314 HN THR 85 46.680 27.960 46.330 1.00 0.00 H +ATOM 1315 CA THR 85 48.630 27.980 47.180 1.00 0.00 C +ATOM 1316 HA THR 85 49.542 27.538 46.808 1.00 0.00 H +ATOM 1317 CB THR 85 48.740 29.540 47.020 1.00 0.00 C +ATOM 1318 HB THR 85 49.738 29.890 47.360 1.00 0.00 H +ATOM 1319 OG1 THR 85 47.700 30.230 47.700 1.00 0.00 O +ATOM 1320 HG1 THR 85 47.890 31.168 47.620 1.00 0.00 H +ATOM 1321 CG2 THR 85 48.500 29.920 45.570 1.00 0.00 C +ATOM 1322 1HG2 THR 85 47.426 30.100 45.350 1.00 0.00 H +ATOM 1323 2HG2 THR 85 49.028 30.888 45.430 1.00 0.00 H +ATOM 1324 3HG2 THR 85 49.000 29.270 44.820 1.00 0.00 H +ATOM 1325 C THR 85 48.560 27.670 48.660 1.00 0.00 C +ATOM 1326 O THR 85 49.530 27.980 49.330 1.00 0.00 O +ATOM 1327 N GLY 86 47.430 27.090 49.140 1.00 0.00 N +ATOM 1328 HN GLY 86 46.726 26.828 48.486 1.00 0.00 H +ATOM 1329 CA GLY 86 47.290 26.490 50.470 1.00 0.00 C +ATOM 1330 HA1 GLY 86 46.550 25.710 50.370 1.00 0.00 H +ATOM 1331 HA2 GLY 86 48.242 26.050 50.730 1.00 0.00 H +ATOM 1332 C GLY 86 46.830 27.350 51.590 1.00 0.00 C +ATOM 1333 O GLY 86 46.560 26.760 52.680 1.00 0.00 O +ATOM 1334 N GLY 87 46.660 28.650 51.350 1.00 0.00 N +ATOM 1335 HN GLY 87 46.720 28.992 50.416 1.00 0.00 H +ATOM 1336 CA GLY 87 46.340 29.670 52.360 1.00 0.00 C +ATOM 1337 HA1 GLY 87 45.970 29.350 53.322 1.00 0.00 H +ATOM 1338 HA2 GLY 87 47.234 30.276 52.360 1.00 0.00 H +ATOM 1339 C GLY 87 45.300 30.640 51.870 1.00 0.00 C +ATOM 1340 O GLY 87 44.470 30.250 51.060 1.00 0.00 O +ATOM 1341 N TYR 88 45.290 31.900 52.290 1.00 0.00 N +ATOM 1342 HN TYR 88 46.008 32.378 52.788 1.00 0.00 H +ATOM 1343 CA TYR 88 44.230 32.840 51.760 1.00 0.00 C +ATOM 1344 HA TYR 88 43.312 32.280 51.860 1.00 0.00 H +ATOM 1345 CB TYR 88 44.090 34.040 52.690 1.00 0.00 C +ATOM 1346 HB1 TYR 88 43.960 33.782 53.764 1.00 0.00 H +ATOM 1347 HB2 TYR 88 45.120 34.440 52.800 1.00 0.00 H +ATOM 1348 CG TYR 88 43.120 35.150 52.310 1.00 0.00 C +ATOM 1349 CD1 TYR 88 43.500 36.240 51.440 1.00 0.00 C +ATOM 1350 HD1 TYR 88 44.494 36.230 51.018 1.00 0.00 H +ATOM 1351 CE1 TYR 88 42.650 37.350 51.210 1.00 0.00 C +ATOM 1352 HE1 TYR 88 43.040 38.168 50.622 1.00 0.00 H +ATOM 1353 CZ TYR 88 41.310 37.260 51.690 1.00 0.00 C +ATOM 1354 OH TYR 88 40.500 38.290 51.440 1.00 0.00 O +ATOM 1355 HH TYR 88 40.750 38.590 50.562 1.00 0.00 H +ATOM 1356 CD2 TYR 88 41.790 35.200 52.880 1.00 0.00 C +ATOM 1357 HD2 TYR 88 41.450 34.390 53.510 1.00 0.00 H +ATOM 1358 CE2 TYR 88 40.860 36.140 52.460 1.00 0.00 C +ATOM 1359 HE2 TYR 88 39.924 36.140 52.998 1.00 0.00 H +ATOM 1360 C TYR 88 44.220 33.250 50.300 1.00 0.00 C +ATOM 1361 O TYR 88 45.220 33.490 49.660 1.00 0.00 O +ATOM 1362 N GLY 89 43.010 33.300 49.720 1.00 0.00 N +ATOM 1363 HN GLY 89 42.134 33.110 50.158 1.00 0.00 H +ATOM 1364 CA GLY 89 42.790 33.720 48.330 1.00 0.00 C +ATOM 1365 HA1 GLY 89 43.692 34.182 47.958 1.00 0.00 H +ATOM 1366 HA2 GLY 89 42.590 32.850 47.720 1.00 0.00 H +ATOM 1367 C GLY 89 41.590 34.570 48.130 1.00 0.00 C +ATOM 1368 O GLY 89 40.510 34.350 48.690 1.00 0.00 O +ATOM 1369 N ASP 90 41.750 35.530 47.150 1.00 0.00 N +ATOM 1370 HN ASP 90 42.616 35.918 46.842 1.00 0.00 H +ATOM 1371 CA ASP 90 40.600 36.230 46.700 1.00 0.00 C +ATOM 1372 HA ASP 90 39.808 35.498 46.630 1.00 0.00 H +ATOM 1373 CB ASP 90 40.110 37.410 47.670 1.00 0.00 C +ATOM 1374 HB1 ASP 90 39.136 37.812 47.318 1.00 0.00 H +ATOM 1375 HB2 ASP 90 40.020 37.042 48.714 1.00 0.00 H +ATOM 1376 CG ASP 90 41.060 38.590 47.740 1.00 0.00 C +ATOM 1377 OD1 ASP 90 41.370 39.020 48.900 1.00 0.00 O +ATOM 1378 OD2 ASP 90 41.480 39.150 46.700 1.00 0.00 O +ATOM 1379 C ASP 90 40.790 36.740 45.300 1.00 0.00 C +ATOM 1380 O ASP 90 41.890 36.870 44.770 1.00 0.00 O +ATOM 1381 N GLY 91 39.710 37.150 44.700 1.00 0.00 N +ATOM 1382 HN GLY 91 38.856 36.980 45.182 1.00 0.00 H +ATOM 1383 CA GLY 91 39.710 37.940 43.480 1.00 0.00 C +ATOM 1384 HA1 GLY 91 40.546 38.618 43.570 1.00 0.00 H +ATOM 1385 HA2 GLY 91 39.460 37.320 42.632 1.00 0.00 H +ATOM 1386 C GLY 91 38.620 38.870 43.610 1.00 0.00 C +ATOM 1387 O GLY 91 37.890 38.760 44.520 1.00 0.00 O +ATOM 1388 N ASN 92 38.510 39.700 42.560 1.00 0.00 N +ATOM 1389 HN ASN 92 39.128 39.620 41.782 1.00 0.00 H +ATOM 1390 CA ASN 92 37.360 40.640 42.560 1.00 0.00 C +ATOM 1391 HA ASN 92 36.514 40.196 43.064 1.00 0.00 H +ATOM 1392 CB ASN 92 37.740 41.940 43.260 1.00 0.00 C +ATOM 1393 HB1 ASN 92 36.908 42.562 43.652 1.00 0.00 H +ATOM 1394 HB2 ASN 92 38.150 41.610 44.238 1.00 0.00 H +ATOM 1395 CG ASN 92 38.790 42.850 42.610 1.00 0.00 C +ATOM 1396 OD1 ASN 92 39.680 42.300 41.940 1.00 0.00 O +ATOM 1397 ND2 ASN 92 38.650 44.180 42.650 1.00 0.00 N +ATOM 1398 1HD2 ASN 92 37.878 44.530 43.182 1.00 0.00 H +ATOM 1399 2HD2 ASN 92 39.434 44.712 42.328 1.00 0.00 H +ATOM 1400 C ASN 92 36.940 40.950 41.040 1.00 0.00 C +ATOM 1401 O ASN 92 37.840 40.870 40.210 1.00 0.00 O +ATOM 1402 N LEU 93 35.710 41.270 40.750 1.00 0.00 N +ATOM 1403 HN LEU 93 35.018 41.340 41.462 1.00 0.00 H +ATOM 1404 CA LEU 93 35.340 41.450 39.320 1.00 0.00 C +ATOM 1405 HA LEU 93 36.180 41.730 38.700 1.00 0.00 H +ATOM 1406 CB LEU 93 34.910 40.140 38.660 1.00 0.00 C +ATOM 1407 HB1 LEU 93 34.770 40.410 37.592 1.00 0.00 H +ATOM 1408 HB2 LEU 93 35.678 39.352 38.820 1.00 0.00 H +ATOM 1409 CG LEU 93 33.530 39.480 39.090 1.00 0.00 C +ATOM 1410 HG LEU 93 32.720 40.080 38.620 1.00 0.00 H +ATOM 1411 CD1 LEU 93 33.430 38.150 38.300 1.00 0.00 C +ATOM 1412 1HD1 LEU 93 32.450 37.640 38.420 1.00 0.00 H +ATOM 1413 2HD1 LEU 93 33.590 38.310 37.212 1.00 0.00 H +ATOM 1414 3HD1 LEU 93 34.218 37.472 38.690 1.00 0.00 H +ATOM 1415 CD2 LEU 93 33.390 39.210 40.540 1.00 0.00 C +ATOM 1416 1HD2 LEU 93 33.390 40.162 41.112 1.00 0.00 H +ATOM 1417 2HD2 LEU 93 32.428 38.678 40.700 1.00 0.00 H +ATOM 1418 3HD2 LEU 93 34.278 38.686 40.954 1.00 0.00 H +ATOM 1419 C LEU 93 34.170 42.380 39.110 1.00 0.00 C +ATOM 1420 O LEU 93 33.320 42.500 39.980 1.00 0.00 O +ATOM 1421 N GLY 94 34.000 42.940 37.880 1.00 0.00 N +ATOM 1422 HN GLY 94 34.708 42.870 37.182 1.00 0.00 H +ATOM 1423 CA GLY 94 32.790 43.690 37.480 1.00 0.00 C +ATOM 1424 HA1 GLY 94 32.600 44.472 38.202 1.00 0.00 H +ATOM 1425 HA2 GLY 94 33.080 44.090 36.520 1.00 0.00 H +ATOM 1426 C GLY 94 31.560 42.840 37.430 1.00 0.00 C +ATOM 1427 O GLY 94 31.400 41.940 36.590 1.00 0.00 O +ATOM 1428 N THR 95 30.510 43.150 38.290 1.00 0.00 N +ATOM 1429 HN THR 95 30.520 43.992 38.822 1.00 0.00 H +ATOM 1430 CA THR 95 29.330 42.330 38.270 1.00 0.00 C +ATOM 1431 HA THR 95 29.110 42.120 37.234 1.00 0.00 H +ATOM 1432 CB THR 95 29.530 40.960 38.920 1.00 0.00 C +ATOM 1433 HB THR 95 30.318 40.442 38.332 1.00 0.00 H +ATOM 1434 OG1 THR 95 28.350 40.140 38.870 1.00 0.00 O +ATOM 1435 HG1 THR 95 28.240 39.920 37.942 1.00 0.00 H +ATOM 1436 CG2 THR 95 29.870 41.060 40.350 1.00 0.00 C +ATOM 1437 1HG2 THR 95 29.830 40.044 40.798 1.00 0.00 H +ATOM 1438 2HG2 THR 95 30.932 41.350 40.500 1.00 0.00 H +ATOM 1439 3HG2 THR 95 29.138 41.652 40.942 1.00 0.00 H +ATOM 1440 C THR 95 28.120 43.110 38.740 1.00 0.00 C +ATOM 1441 O THR 95 28.210 44.030 39.600 1.00 0.00 O +ATOM 1442 N MET 96 26.920 42.800 38.140 1.00 0.00 N +ATOM 1443 HN MET 96 26.960 42.312 37.272 1.00 0.00 H +ATOM 1444 CA MET 96 25.620 43.180 38.720 1.00 0.00 C +ATOM 1445 HA MET 96 25.650 44.214 39.032 1.00 0.00 H +ATOM 1446 CB MET 96 24.420 43.110 37.740 1.00 0.00 C +ATOM 1447 HB1 MET 96 24.420 42.064 37.362 1.00 0.00 H +ATOM 1448 HB2 MET 96 23.518 43.300 38.360 1.00 0.00 H +ATOM 1449 CG MET 96 24.340 44.200 36.650 1.00 0.00 C +ATOM 1450 HG1 MET 96 25.302 44.190 36.094 1.00 0.00 H +ATOM 1451 HG2 MET 96 23.552 44.040 35.882 1.00 0.00 H +ATOM 1452 SD MET 96 24.080 45.800 37.430 1.00 0.00 S +ATOM 1453 CE MET 96 22.430 45.540 38.140 1.00 0.00 C +ATOM 1454 HE1 MET 96 21.860 44.890 37.440 1.00 0.00 H +ATOM 1455 HE2 MET 96 22.510 44.928 39.064 1.00 0.00 H +ATOM 1456 HE3 MET 96 21.920 46.490 38.410 1.00 0.00 H +ATOM 1457 C MET 96 25.250 42.260 39.930 1.00 0.00 C +ATOM 1458 O MET 96 24.230 42.460 40.570 1.00 0.00 O +ATOM 1459 N ALA 97 26.010 41.200 40.210 1.00 0.00 N +ATOM 1460 HN ALA 97 26.774 40.858 39.668 1.00 0.00 H +ATOM 1461 CA ALA 97 25.590 40.220 41.130 1.00 0.00 C +ATOM 1462 HA ALA 97 24.558 39.970 40.940 1.00 0.00 H +ATOM 1463 CB ALA 97 26.270 38.920 40.740 1.00 0.00 C +ATOM 1464 HB1 ALA 97 27.370 38.800 40.830 1.00 0.00 H +ATOM 1465 HB2 ALA 97 25.832 38.084 41.328 1.00 0.00 H +ATOM 1466 HB3 ALA 97 26.100 38.630 39.680 1.00 0.00 H +ATOM 1467 C ALA 97 25.940 40.740 42.490 1.00 0.00 C +ATOM 1468 O ALA 97 25.300 40.370 43.400 1.00 0.00 O +ATOM 1469 N SER 98 26.940 41.650 42.710 1.00 0.00 N +ATOM 1470 HN SER 98 27.476 41.998 41.944 1.00 0.00 H +ATOM 1471 CA SER 98 26.990 42.440 43.930 1.00 0.00 C +ATOM 1472 HA SER 98 27.130 41.750 44.750 1.00 0.00 H +ATOM 1473 CB SER 98 28.470 42.990 44.020 1.00 0.00 C +ATOM 1474 HB1 SER 98 28.560 43.428 45.036 1.00 0.00 H +ATOM 1475 HB2 SER 98 29.186 42.144 43.930 1.00 0.00 H +ATOM 1476 OG SER 98 28.760 44.090 43.150 1.00 0.00 O +ATOM 1477 HG1 SER 98 29.678 44.350 43.250 1.00 0.00 H +ATOM 1478 C SER 98 25.940 43.480 44.210 1.00 0.00 C +ATOM 1479 O SER 98 25.420 43.600 45.310 1.00 0.00 O +ATOM 1480 N VAL 99 25.630 44.200 43.170 1.00 0.00 N +ATOM 1481 HN VAL 99 26.310 44.180 42.440 1.00 0.00 H +ATOM 1482 CA VAL 99 24.520 45.150 43.100 1.00 0.00 C +ATOM 1483 HA VAL 99 24.672 45.816 43.936 1.00 0.00 H +ATOM 1484 CB VAL 99 24.390 45.830 41.690 1.00 0.00 C +ATOM 1485 HB VAL 99 24.290 45.028 40.928 1.00 0.00 H +ATOM 1486 CG1 VAL 99 23.140 46.790 41.530 1.00 0.00 C +ATOM 1487 1HG1 VAL 99 22.248 46.128 41.560 1.00 0.00 H +ATOM 1488 2HG1 VAL 99 23.110 47.372 42.474 1.00 0.00 H +ATOM 1489 3HG1 VAL 99 23.140 47.418 40.612 1.00 0.00 H +ATOM 1490 CG2 VAL 99 25.780 46.640 41.440 1.00 0.00 C +ATOM 1491 1HG2 VAL 99 25.770 47.580 42.030 1.00 0.00 H +ATOM 1492 2HG2 VAL 99 26.752 46.128 41.600 1.00 0.00 H +ATOM 1493 3HG2 VAL 99 25.930 46.820 40.354 1.00 0.00 H +ATOM 1494 C VAL 99 23.190 44.490 43.480 1.00 0.00 C +ATOM 1495 O VAL 99 22.450 44.920 44.400 1.00 0.00 O +ATOM 1496 N HIS 100 22.850 43.280 42.860 1.00 0.00 N +ATOM 1497 HN HIS 100 23.358 42.982 42.054 1.00 0.00 H +ATOM 1498 CA HIS 100 21.750 42.430 43.290 1.00 0.00 C +ATOM 1499 HA HIS 100 20.870 43.050 43.370 1.00 0.00 H +ATOM 1500 CB HIS 100 21.260 41.420 42.250 1.00 0.00 C +ATOM 1501 HB1 HIS 100 22.106 40.722 42.070 1.00 0.00 H +ATOM 1502 HB2 HIS 100 20.478 40.838 42.782 1.00 0.00 H +ATOM 1503 ND1 HIS 100 19.280 42.280 40.930 1.00 0.00 N +ATOM 1504 CG HIS 100 20.630 41.950 41.030 1.00 0.00 C +ATOM 1505 CE1 HIS 100 19.100 42.370 39.580 1.00 0.00 C +ATOM 1506 HE1 HIS 100 18.180 42.730 39.120 1.00 0.00 H +ATOM 1507 NE2 HIS 100 20.210 42.130 38.880 1.00 0.00 N +ATOM 1508 HE2 HIS 100 20.390 42.210 37.900 1.00 0.00 H +ATOM 1509 CD2 HIS 100 21.210 41.870 39.770 1.00 0.00 C +ATOM 1510 HD2 HIS 100 22.258 41.650 39.610 1.00 0.00 H +ATOM 1511 C HIS 100 22.050 41.670 44.630 1.00 0.00 C +ATOM 1512 O HIS 100 21.070 41.420 45.320 1.00 0.00 O +ATOM 1513 N LEU 101 23.290 41.230 45.070 1.00 0.00 N +ATOM 1514 HN LEU 101 24.088 41.250 44.472 1.00 0.00 H +ATOM 1515 CA LEU 101 23.470 40.770 46.450 1.00 0.00 C +ATOM 1516 HA LEU 101 22.892 39.872 46.610 1.00 0.00 H +ATOM 1517 CB LEU 101 24.960 40.450 46.700 1.00 0.00 C +ATOM 1518 HB1 LEU 101 25.280 39.998 45.738 1.00 0.00 H +ATOM 1519 HB2 LEU 101 25.500 41.420 46.760 1.00 0.00 H +ATOM 1520 CG LEU 101 25.250 39.490 47.940 1.00 0.00 C +ATOM 1521 HG LEU 101 24.810 40.010 48.818 1.00 0.00 H +ATOM 1522 CD1 LEU 101 24.590 38.120 47.750 1.00 0.00 C +ATOM 1523 1HD1 LEU 101 24.630 37.454 48.638 1.00 0.00 H +ATOM 1524 2HD1 LEU 101 23.510 38.160 47.490 1.00 0.00 H +ATOM 1525 3HD1 LEU 101 25.160 37.650 46.920 1.00 0.00 H +ATOM 1526 CD2 LEU 101 26.760 39.360 48.150 1.00 0.00 C +ATOM 1527 1HD2 LEU 101 27.130 40.280 48.650 1.00 0.00 H +ATOM 1528 2HD2 LEU 101 26.970 38.564 48.896 1.00 0.00 H +ATOM 1529 3HD2 LEU 101 27.402 39.160 47.266 1.00 0.00 H +ATOM 1530 C LEU 101 23.050 41.680 47.540 1.00 0.00 C +ATOM 1531 O LEU 101 22.310 41.290 48.450 1.00 0.00 O +ATOM 1532 N ARG 102 23.460 42.950 47.470 1.00 0.00 N +ATOM 1533 HN ARG 102 24.128 43.170 46.762 1.00 0.00 H +ATOM 1534 CA ARG 102 23.080 43.870 48.430 1.00 0.00 C +ATOM 1535 HA ARG 102 23.360 43.520 49.412 1.00 0.00 H +ATOM 1536 CB ARG 102 23.890 45.090 48.110 1.00 0.00 C +ATOM 1537 HB1 ARG 102 23.740 45.310 47.032 1.00 0.00 H +ATOM 1538 HB2 ARG 102 23.460 45.948 48.670 1.00 0.00 H +ATOM 1539 CG ARG 102 25.430 44.900 48.340 1.00 0.00 C +ATOM 1540 HG1 ARG 102 25.778 44.004 47.782 1.00 0.00 H +ATOM 1541 HG2 ARG 102 26.000 45.658 47.762 1.00 0.00 H +ATOM 1542 CD ARG 102 25.930 44.870 49.800 1.00 0.00 C +ATOM 1543 HD1 ARG 102 25.294 44.106 50.296 1.00 0.00 H +ATOM 1544 HD2 ARG 102 26.986 44.648 50.062 1.00 0.00 H +ATOM 1545 NE ARG 102 25.520 46.200 50.340 1.00 0.00 N +ATOM 1546 HE ARG 102 25.170 46.920 49.740 1.00 0.00 H +ATOM 1547 CZ ARG 102 25.880 46.650 51.520 1.00 0.00 C +ATOM 1548 NH1 ARG 102 26.740 46.100 52.360 1.00 0.00 N +ATOM 1549 1HH1 ARG 102 26.630 45.184 52.748 1.00 0.00 H +ATOM 1550 2HH1 ARG 102 27.144 46.736 53.016 1.00 0.00 H +ATOM 1551 NH2 ARG 102 25.550 47.840 51.850 1.00 0.00 N +ATOM 1552 1HH2 ARG 102 25.026 48.406 51.214 1.00 0.00 H +ATOM 1553 2HH2 ARG 102 26.128 48.418 52.428 1.00 0.00 H +ATOM 1554 C ARG 102 21.630 44.200 48.360 1.00 0.00 C +ATOM 1555 O ARG 102 20.940 44.420 49.370 1.00 0.00 O +ATOM 1556 N ARG 103 20.950 44.180 47.180 1.00 0.00 N +ATOM 1557 HN ARG 103 21.454 44.028 46.334 1.00 0.00 H +ATOM 1558 CA ARG 103 19.560 44.390 46.920 1.00 0.00 C +ATOM 1559 HA ARG 103 19.250 45.160 47.610 1.00 0.00 H +ATOM 1560 CB ARG 103 19.310 44.930 45.500 1.00 0.00 C +ATOM 1561 HB1 ARG 103 19.952 44.470 44.718 1.00 0.00 H +ATOM 1562 HB2 ARG 103 18.232 44.770 45.280 1.00 0.00 H +ATOM 1563 CG ARG 103 19.710 46.450 45.410 1.00 0.00 C +ATOM 1564 HG1 ARG 103 19.240 47.050 46.220 1.00 0.00 H +ATOM 1565 HG2 ARG 103 20.810 46.510 45.550 1.00 0.00 H +ATOM 1566 CD ARG 103 19.370 47.170 44.120 1.00 0.00 C +ATOM 1567 HD1 ARG 103 19.934 48.126 44.070 1.00 0.00 H +ATOM 1568 HD2 ARG 103 19.580 46.478 43.278 1.00 0.00 H +ATOM 1569 NE ARG 103 17.900 47.520 44.150 1.00 0.00 N +ATOM 1570 HE ARG 103 17.414 47.570 45.024 1.00 0.00 H +ATOM 1571 CZ ARG 103 17.180 47.700 43.040 1.00 0.00 C +ATOM 1572 NH1 ARG 103 17.630 47.360 41.870 1.00 0.00 N +ATOM 1573 1HH1 ARG 103 18.332 46.648 41.840 1.00 0.00 H +ATOM 1574 2HH1 ARG 103 17.048 47.420 41.058 1.00 0.00 H +ATOM 1575 NH2 ARG 103 15.910 47.970 43.150 1.00 0.00 N +ATOM 1576 1HH2 ARG 103 15.518 48.060 44.064 1.00 0.00 H +ATOM 1577 2HH2 ARG 103 15.332 47.850 42.342 1.00 0.00 H +ATOM 1578 C ARG 103 18.650 43.270 47.140 1.00 0.00 C +ATOM 1579 O ARG 103 17.470 43.450 47.160 1.00 0.00 O +ATOM 1580 N ALA 104 19.230 42.130 47.540 1.00 0.00 N +ATOM 1581 HN ALA 104 20.224 42.160 47.610 1.00 0.00 H +ATOM 1582 CA ALA 104 18.510 40.950 48.010 1.00 0.00 C +ATOM 1583 HA ALA 104 17.474 40.960 47.708 1.00 0.00 H +ATOM 1584 CB ALA 104 19.170 39.650 47.510 1.00 0.00 C +ATOM 1585 HB1 ALA 104 19.310 39.750 46.414 1.00 0.00 H +ATOM 1586 HB2 ALA 104 20.196 39.430 47.878 1.00 0.00 H +ATOM 1587 HB3 ALA 104 18.518 38.786 47.760 1.00 0.00 H +ATOM 1588 C ALA 104 18.420 40.800 49.520 1.00 0.00 C +ATOM 1589 O ALA 104 17.500 40.260 50.070 1.00 0.00 O +ATOM 1590 N GLY 105 19.310 41.550 50.210 1.00 0.00 N +ATOM 1591 HN GLY 105 20.036 42.058 49.752 1.00 0.00 H +ATOM 1592 CA GLY 105 19.400 41.810 51.630 1.00 0.00 C +ATOM 1593 HA1 GLY 105 19.280 42.872 51.780 1.00 0.00 H +ATOM 1594 HA2 GLY 105 18.574 41.292 52.098 1.00 0.00 H +ATOM 1595 C GLY 105 20.650 41.300 52.320 1.00 0.00 C +ATOM 1596 O GLY 105 20.610 40.820 53.480 1.00 0.00 O +ATOM 1597 N TYR 106 21.790 41.210 51.540 1.00 0.00 N +ATOM 1598 HN TYR 106 21.780 41.370 50.556 1.00 0.00 H +ATOM 1599 CA TYR 106 22.910 40.410 52.120 1.00 0.00 C +ATOM 1600 HA TYR 106 22.800 40.200 53.174 1.00 0.00 H +ATOM 1601 CB TYR 106 23.160 39.020 51.460 1.00 0.00 C +ATOM 1602 HB1 TYR 106 23.530 39.150 50.420 1.00 0.00 H +ATOM 1603 HB2 TYR 106 23.948 38.482 52.028 1.00 0.00 H +ATOM 1604 CG TYR 106 21.800 38.280 51.580 1.00 0.00 C +ATOM 1605 CD1 TYR 106 21.200 37.960 52.790 1.00 0.00 C +ATOM 1606 HD1 TYR 106 21.688 38.180 53.728 1.00 0.00 H +ATOM 1607 CE1 TYR 106 19.960 37.330 52.820 1.00 0.00 C +ATOM 1608 HE1 TYR 106 19.572 36.902 53.734 1.00 0.00 H +ATOM 1609 CZ TYR 106 19.220 37.110 51.650 1.00 0.00 C +ATOM 1610 OH TYR 106 18.060 36.290 51.600 1.00 0.00 O +ATOM 1611 HH TYR 106 17.614 36.400 50.756 1.00 0.00 H +ATOM 1612 CD2 TYR 106 21.000 38.120 50.460 1.00 0.00 C +ATOM 1613 HD2 TYR 106 21.482 38.462 49.556 1.00 0.00 H +ATOM 1614 CE2 TYR 106 19.680 37.550 50.450 1.00 0.00 C +ATOM 1615 HE2 TYR 106 19.140 37.390 49.528 1.00 0.00 H +ATOM 1616 C TYR 106 24.110 41.310 51.980 1.00 0.00 C +ATOM 1617 O TYR 106 24.220 42.020 50.960 1.00 0.00 O +ATOM 1618 N ASP 107 25.040 41.330 52.960 1.00 0.00 N +ATOM 1619 HN ASP 107 24.960 40.890 53.850 1.00 0.00 H +ATOM 1620 CA ASP 107 26.420 41.840 52.760 1.00 0.00 C +ATOM 1621 HA ASP 107 26.400 42.718 52.132 1.00 0.00 H +ATOM 1622 CB ASP 107 26.970 42.400 54.050 1.00 0.00 C +ATOM 1623 HB1 ASP 107 27.120 41.642 54.848 1.00 0.00 H +ATOM 1624 HB2 ASP 107 27.910 42.990 53.980 1.00 0.00 H +ATOM 1625 CG ASP 107 25.910 43.280 54.690 1.00 0.00 C +ATOM 1626 OD1 ASP 107 25.630 44.340 54.090 1.00 0.00 O +ATOM 1627 OD2 ASP 107 25.430 42.990 55.790 1.00 0.00 O +ATOM 1628 C ASP 107 27.260 40.800 52.110 1.00 0.00 C +ATOM 1629 O ASP 107 28.150 41.120 51.340 1.00 0.00 O +ATOM 1630 N ALA 108 27.010 39.520 52.360 1.00 0.00 N +ATOM 1631 HN ALA 108 26.384 39.272 53.096 1.00 0.00 H +ATOM 1632 CA ALA 108 27.850 38.550 51.690 1.00 0.00 C +ATOM 1633 HA ALA 108 28.120 38.880 50.698 1.00 0.00 H +ATOM 1634 CB ALA 108 29.160 38.360 52.540 1.00 0.00 C +ATOM 1635 HB1 ALA 108 29.010 38.280 53.638 1.00 0.00 H +ATOM 1636 HB2 ALA 108 29.942 37.658 52.180 1.00 0.00 H +ATOM 1637 HB3 ALA 108 29.628 39.348 52.340 1.00 0.00 H +ATOM 1638 C ALA 108 27.050 37.180 51.500 1.00 0.00 C +ATOM 1639 O ALA 108 25.980 36.990 52.110 1.00 0.00 O +ATOM 1640 N LEU 109 27.510 36.250 50.660 1.00 0.00 N +ATOM 1641 HN LEU 109 28.338 36.470 50.150 1.00 0.00 H +ATOM 1642 CA LEU 109 26.930 34.930 50.580 1.00 0.00 C +ATOM 1643 HA LEU 109 26.180 34.770 51.340 1.00 0.00 H +ATOM 1644 CB LEU 109 26.350 34.710 49.160 1.00 0.00 C +ATOM 1645 HB1 LEU 109 25.466 35.382 49.200 1.00 0.00 H +ATOM 1646 HB2 LEU 109 27.108 35.108 48.452 1.00 0.00 H +ATOM 1647 CG LEU 109 26.060 33.240 48.710 1.00 0.00 C +ATOM 1648 HG LEU 109 26.996 32.642 48.710 1.00 0.00 H +ATOM 1649 CD1 LEU 109 25.010 32.460 49.480 1.00 0.00 C +ATOM 1650 1HD1 LEU 109 24.900 31.494 48.942 1.00 0.00 H +ATOM 1651 2HD1 LEU 109 25.328 32.102 50.484 1.00 0.00 H +ATOM 1652 3HD1 LEU 109 23.978 32.870 49.480 1.00 0.00 H +ATOM 1653 CD2 LEU 109 25.570 33.150 47.180 1.00 0.00 C +ATOM 1654 1HD2 LEU 109 26.210 33.840 46.590 1.00 0.00 H +ATOM 1655 2HD2 LEU 109 25.570 32.134 46.732 1.00 0.00 H +ATOM 1656 3HD2 LEU 109 24.546 33.532 46.980 1.00 0.00 H +ATOM 1657 C LEU 109 28.120 33.960 50.890 1.00 0.00 C +ATOM 1658 O LEU 109 29.180 34.120 50.290 1.00 0.00 O +ATOM 1659 N VAL 110 27.940 33.060 51.890 1.00 0.00 N +ATOM 1660 HN VAL 110 27.142 33.160 52.478 1.00 0.00 H +ATOM 1661 CA VAL 110 28.890 31.990 52.110 1.00 0.00 C +ATOM 1662 HA VAL 110 29.780 32.150 51.520 1.00 0.00 H +ATOM 1663 CB VAL 110 29.370 31.640 53.490 1.00 0.00 C +ATOM 1664 HB VAL 110 28.580 31.180 54.120 1.00 0.00 H +ATOM 1665 CG1 VAL 110 30.550 30.640 53.580 1.00 0.00 C +ATOM 1666 1HG1 VAL 110 30.720 30.320 54.630 1.00 0.00 H +ATOM 1667 2HG1 VAL 110 30.302 29.704 53.032 1.00 0.00 H +ATOM 1668 3HG1 VAL 110 31.480 31.040 53.120 1.00 0.00 H +ATOM 1669 CG2 VAL 110 29.940 32.900 54.200 1.00 0.00 C +ATOM 1670 1HG2 VAL 110 30.764 33.292 53.568 1.00 0.00 H +ATOM 1671 2HG2 VAL 110 29.230 33.740 54.350 1.00 0.00 H +ATOM 1672 3HG2 VAL 110 30.358 32.424 55.114 1.00 0.00 H +ATOM 1673 C VAL 110 28.300 30.680 51.630 1.00 0.00 C +ATOM 1674 O VAL 110 27.130 30.370 51.970 1.00 0.00 O +ATOM 1675 N VAL 111 29.030 29.890 50.820 1.00 0.00 N +ATOM 1676 HN VAL 111 29.976 30.100 50.582 1.00 0.00 H +ATOM 1677 CA VAL 111 28.550 28.610 50.320 1.00 0.00 C +ATOM 1678 HA VAL 111 27.570 28.440 50.740 1.00 0.00 H +ATOM 1679 CB VAL 111 28.450 28.420 48.830 1.00 0.00 C +ATOM 1680 HB VAL 111 29.482 28.650 48.490 1.00 0.00 H +ATOM 1681 CG1 VAL 111 28.060 26.940 48.250 1.00 0.00 C +ATOM 1682 1HG1 VAL 111 28.898 26.222 48.380 1.00 0.00 H +ATOM 1683 2HG1 VAL 111 27.142 26.620 48.788 1.00 0.00 H +ATOM 1684 3HG1 VAL 111 27.920 27.130 47.166 1.00 0.00 H +ATOM 1685 CG2 VAL 111 27.460 29.500 48.240 1.00 0.00 C +ATOM 1686 1HG2 VAL 111 27.720 29.490 47.160 1.00 0.00 H +ATOM 1687 2HG2 VAL 111 26.446 29.178 48.562 1.00 0.00 H +ATOM 1688 3HG2 VAL 111 27.550 30.524 48.662 1.00 0.00 H +ATOM 1689 C VAL 111 29.470 27.490 50.800 1.00 0.00 C +ATOM 1690 O VAL 111 30.740 27.600 50.700 1.00 0.00 O +ATOM 1691 N GLU 112 28.860 26.370 51.320 1.00 0.00 N +ATOM 1692 HN GLU 112 27.886 26.240 51.150 1.00 0.00 H +ATOM 1693 CA GLU 112 29.740 25.300 51.970 1.00 0.00 C +ATOM 1694 HA GLU 112 30.768 25.250 51.640 1.00 0.00 H +ATOM 1695 CB GLU 112 29.710 25.510 53.470 1.00 0.00 C +ATOM 1696 HB1 GLU 112 30.298 24.752 54.028 1.00 0.00 H +ATOM 1697 HB2 GLU 112 30.290 26.432 53.690 1.00 0.00 H +ATOM 1698 CG GLU 112 28.310 25.620 54.150 1.00 0.00 C +ATOM 1699 HG1 GLU 112 27.698 26.482 53.810 1.00 0.00 H +ATOM 1700 HG2 GLU 112 27.732 24.674 54.080 1.00 0.00 H +ATOM 1701 CD GLU 112 28.410 25.700 55.650 1.00 0.00 C +ATOM 1702 OE1 GLU 112 27.530 25.020 56.290 1.00 0.00 O +ATOM 1703 OE2 GLU 112 29.160 26.520 56.150 1.00 0.00 O +ATOM 1704 C GLU 112 29.130 23.900 51.560 1.00 0.00 C +ATOM 1705 O GLU 112 28.070 23.790 50.870 1.00 0.00 O +ATOM 1706 N GLY 113 29.790 22.820 52.000 1.00 0.00 N +ATOM 1707 HN GLY 113 30.564 23.000 52.602 1.00 0.00 H +ATOM 1708 CA GLY 113 29.490 21.430 51.620 1.00 0.00 C +ATOM 1709 HA1 GLY 113 30.010 20.722 52.248 1.00 0.00 H +ATOM 1710 HA2 GLY 113 28.434 21.300 51.802 1.00 0.00 H +ATOM 1711 C GLY 113 29.830 21.150 50.100 1.00 0.00 C +ATOM 1712 O GLY 113 30.780 21.740 49.580 1.00 0.00 O +ATOM 1713 N LYS 114 29.160 20.070 49.590 1.00 0.00 N +ATOM 1714 HN LYS 114 28.612 19.512 50.208 1.00 0.00 H +ATOM 1715 CA LYS 114 29.180 19.480 48.270 1.00 0.00 C +ATOM 1716 HA LYS 114 29.300 20.314 47.596 1.00 0.00 H +ATOM 1717 CB LYS 114 30.300 18.520 48.250 1.00 0.00 C +ATOM 1718 HB1 LYS 114 31.234 19.102 48.400 1.00 0.00 H +ATOM 1719 HB2 LYS 114 30.280 17.776 49.074 1.00 0.00 H +ATOM 1720 CG LYS 114 30.470 17.760 46.950 1.00 0.00 C +ATOM 1721 HG1 LYS 114 29.646 17.026 46.820 1.00 0.00 H +ATOM 1722 HG2 LYS 114 30.600 18.418 46.064 1.00 0.00 H +ATOM 1723 CD LYS 114 31.850 17.020 47.010 1.00 0.00 C +ATOM 1724 HD1 LYS 114 32.588 17.798 47.300 1.00 0.00 H +ATOM 1725 HD2 LYS 114 31.830 16.400 47.932 1.00 0.00 H +ATOM 1726 CE LYS 114 32.080 16.380 45.680 1.00 0.00 C +ATOM 1727 HE1 LYS 114 31.250 15.690 45.420 1.00 0.00 H +ATOM 1728 HE2 LYS 114 32.302 17.144 44.906 1.00 0.00 H +ATOM 1729 NZ LYS 114 33.320 15.580 45.860 1.00 0.00 N +ATOM 1730 HZ1 LYS 114 33.390 15.050 44.968 1.00 0.00 H +ATOM 1731 HZ2 LYS 114 34.118 16.230 46.010 1.00 0.00 H +ATOM 1732 HZ3 LYS 114 33.260 14.840 46.590 1.00 0.00 H +ATOM 1733 C LYS 114 27.900 18.830 47.920 1.00 0.00 C +ATOM 1734 O LYS 114 27.280 18.060 48.640 1.00 0.00 O +ATOM 1735 N ALA 115 27.410 19.120 46.660 1.00 0.00 N +ATOM 1736 HN ALA 115 28.040 19.630 46.080 1.00 0.00 H +ATOM 1737 CA ALA 115 26.300 18.550 46.070 1.00 0.00 C +ATOM 1738 HA ALA 115 25.638 18.430 46.914 1.00 0.00 H +ATOM 1739 CB ALA 115 25.540 19.440 45.100 1.00 0.00 C +ATOM 1740 HB1 ALA 115 25.440 20.482 45.470 1.00 0.00 H +ATOM 1741 HB2 ALA 115 26.058 19.570 44.124 1.00 0.00 H +ATOM 1742 HB3 ALA 115 24.500 19.060 45.020 1.00 0.00 H +ATOM 1743 C ALA 115 26.580 17.250 45.490 1.00 0.00 C +ATOM 1744 O ALA 115 27.660 16.850 45.050 1.00 0.00 O +ATOM 1745 N LYS 116 25.460 16.440 45.390 1.00 0.00 N +ATOM 1746 HN LYS 116 24.578 16.560 45.840 1.00 0.00 H +ATOM 1747 CA LYS 116 25.420 15.160 44.840 1.00 0.00 C +ATOM 1748 HA LYS 116 26.274 14.588 45.172 1.00 0.00 H +ATOM 1749 CB LYS 116 24.100 14.420 45.180 1.00 0.00 C +ATOM 1750 HB1 LYS 116 23.218 14.940 44.750 1.00 0.00 H +ATOM 1751 HB2 LYS 116 24.220 13.468 44.620 1.00 0.00 H +ATOM 1752 CG LYS 116 23.960 14.140 46.680 1.00 0.00 C +ATOM 1753 HG1 LYS 116 24.900 13.620 46.960 1.00 0.00 H +ATOM 1754 HG2 LYS 116 23.810 15.082 47.250 1.00 0.00 H +ATOM 1755 CD LYS 116 22.740 13.230 47.000 1.00 0.00 C +ATOM 1756 HD1 LYS 116 21.828 13.730 46.610 1.00 0.00 H +ATOM 1757 HD2 LYS 116 23.070 12.322 46.452 1.00 0.00 H +ATOM 1758 CE LYS 116 22.500 13.030 48.450 1.00 0.00 C +ATOM 1759 HE1 LYS 116 23.320 12.610 49.070 1.00 0.00 H +ATOM 1760 HE2 LYS 116 22.250 14.004 48.922 1.00 0.00 H +ATOM 1761 NZ LYS 116 21.280 12.240 48.700 1.00 0.00 N +ATOM 1762 HZ1 LYS 116 20.478 12.470 48.078 1.00 0.00 H +ATOM 1763 HZ2 LYS 116 21.410 11.210 48.640 1.00 0.00 H +ATOM 1764 HZ3 LYS 116 20.902 12.490 49.636 1.00 0.00 H +ATOM 1765 C LYS 116 25.690 15.340 43.320 1.00 0.00 C +ATOM 1766 O LYS 116 26.420 14.570 42.690 1.00 0.00 O +ATOM 1767 N LYS 117 25.090 16.330 42.700 1.00 0.00 N +ATOM 1768 HN LYS 117 24.630 17.072 43.180 1.00 0.00 H +ATOM 1769 CA LYS 117 25.140 16.560 41.230 1.00 0.00 C +ATOM 1770 HA LYS 117 26.024 16.162 40.754 1.00 0.00 H +ATOM 1771 CB LYS 117 23.860 15.950 40.600 1.00 0.00 C +ATOM 1772 HB1 LYS 117 24.010 16.100 39.510 1.00 0.00 H +ATOM 1773 HB2 LYS 117 23.730 14.902 40.950 1.00 0.00 H +ATOM 1774 CG LYS 117 22.510 16.630 41.110 1.00 0.00 C +ATOM 1775 HG1 LYS 117 22.430 16.500 42.210 1.00 0.00 H +ATOM 1776 HG2 LYS 117 22.550 17.684 40.762 1.00 0.00 H +ATOM 1777 CD LYS 117 21.370 15.970 40.390 1.00 0.00 C +ATOM 1778 HD1 LYS 117 21.718 15.950 39.334 1.00 0.00 H +ATOM 1779 HD2 LYS 117 21.290 14.890 40.640 1.00 0.00 H +ATOM 1780 CE LYS 117 19.980 16.700 40.430 1.00 0.00 C +ATOM 1781 HE1 LYS 117 19.658 16.700 41.494 1.00 0.00 H +ATOM 1782 HE2 LYS 117 20.070 17.760 40.110 1.00 0.00 H +ATOM 1783 NZ LYS 117 19.060 15.910 39.600 1.00 0.00 N +ATOM 1784 HZ1 LYS 117 18.058 16.100 39.800 1.00 0.00 H +ATOM 1785 HZ2 LYS 117 19.220 16.230 38.622 1.00 0.00 H +ATOM 1786 HZ3 LYS 117 19.388 14.924 39.630 1.00 0.00 H +ATOM 1787 C LYS 117 25.220 18.080 40.990 1.00 0.00 C +ATOM 1788 O LYS 117 24.830 18.860 41.890 1.00 0.00 O +ATOM 1789 N PRO 118 25.560 18.510 39.700 1.00 0.00 N +ATOM 1790 CD PRO 118 25.900 17.640 38.600 1.00 0.00 C +ATOM 1791 HD1 PRO 118 25.020 17.340 37.990 1.00 0.00 H +ATOM 1792 HD2 PRO 118 26.518 16.762 38.890 1.00 0.00 H +ATOM 1793 CA PRO 118 25.530 19.950 39.350 1.00 0.00 C +ATOM 1794 HA PRO 118 26.328 20.318 39.978 1.00 0.00 H +ATOM 1795 CB PRO 118 25.820 19.870 37.820 1.00 0.00 C +ATOM 1796 HB1 PRO 118 24.858 19.710 37.288 1.00 0.00 H +ATOM 1797 HB2 PRO 118 26.382 20.674 37.298 1.00 0.00 H +ATOM 1798 CG PRO 118 26.670 18.580 37.730 1.00 0.00 C +ATOM 1799 HG1 PRO 118 26.760 18.270 36.668 1.00 0.00 H +ATOM 1800 HG2 PRO 118 27.650 18.790 38.210 1.00 0.00 H +ATOM 1801 C PRO 118 24.320 20.780 39.780 1.00 0.00 C +ATOM 1802 O PRO 118 23.220 20.340 39.390 1.00 0.00 O +ATOM 1803 N VAL 119 24.520 21.910 40.440 1.00 0.00 N +ATOM 1804 HN VAL 119 25.430 22.270 40.630 1.00 0.00 H +ATOM 1805 CA VAL 119 23.400 22.650 41.000 1.00 0.00 C +ATOM 1806 HA VAL 119 22.544 22.520 40.354 1.00 0.00 H +ATOM 1807 CB VAL 119 23.210 22.490 42.520 1.00 0.00 C +ATOM 1808 HB VAL 119 22.710 23.432 42.830 1.00 0.00 H +ATOM 1809 CG1 VAL 119 22.170 21.430 42.750 1.00 0.00 C +ATOM 1810 1HG1 VAL 119 22.602 20.426 42.550 1.00 0.00 H +ATOM 1811 2HG1 VAL 119 21.900 21.380 43.828 1.00 0.00 H +ATOM 1812 3HG1 VAL 119 21.240 21.540 42.150 1.00 0.00 H +ATOM 1813 CG2 VAL 119 24.560 22.340 43.250 1.00 0.00 C +ATOM 1814 1HG2 VAL 119 24.450 22.310 44.356 1.00 0.00 H +ATOM 1815 2HG2 VAL 119 25.100 21.430 42.910 1.00 0.00 H +ATOM 1816 3HG2 VAL 119 25.150 23.262 43.060 1.00 0.00 H +ATOM 1817 C VAL 119 23.800 24.050 40.710 1.00 0.00 C +ATOM 1818 O VAL 119 24.950 24.440 40.430 1.00 0.00 O +ATOM 1819 N TYR 120 22.800 24.970 40.770 1.00 0.00 N +ATOM 1820 HN TYR 120 21.860 24.700 40.960 1.00 0.00 H +ATOM 1821 CA TYR 120 23.010 26.440 40.880 1.00 0.00 C +ATOM 1822 HA TYR 120 23.990 26.580 41.310 1.00 0.00 H +ATOM 1823 CB TYR 120 22.940 27.180 39.540 1.00 0.00 C +ATOM 1824 HB1 TYR 120 23.372 28.202 39.590 1.00 0.00 H +ATOM 1825 HB2 TYR 120 23.460 26.548 38.788 1.00 0.00 H +ATOM 1826 CG TYR 120 21.550 27.420 38.970 1.00 0.00 C +ATOM 1827 CD1 TYR 120 21.140 26.480 38.130 1.00 0.00 C +ATOM 1828 HD1 TYR 120 21.638 25.534 37.980 1.00 0.00 H +ATOM 1829 CE1 TYR 120 19.820 26.550 37.630 1.00 0.00 C +ATOM 1830 HE1 TYR 120 19.398 25.828 36.948 1.00 0.00 H +ATOM 1831 CZ TYR 120 19.030 27.630 37.890 1.00 0.00 C +ATOM 1832 OH TYR 120 17.740 27.590 37.350 1.00 0.00 O +ATOM 1833 HH TYR 120 17.740 27.060 36.550 1.00 0.00 H +ATOM 1834 CD2 TYR 120 20.810 28.560 39.270 1.00 0.00 C +ATOM 1835 HD2 TYR 120 21.110 29.408 39.868 1.00 0.00 H +ATOM 1836 CE2 TYR 120 19.520 28.680 38.740 1.00 0.00 C +ATOM 1837 HE2 TYR 120 18.970 29.570 39.010 1.00 0.00 H +ATOM 1838 C TYR 120 22.060 27.000 41.950 1.00 0.00 C +ATOM 1839 O TYR 120 21.100 26.350 42.350 1.00 0.00 O +ATOM 1840 N ILE 121 22.410 28.160 42.520 1.00 0.00 N +ATOM 1841 HN ILE 121 23.224 28.636 42.192 1.00 0.00 H +ATOM 1842 CA ILE 121 21.650 28.820 43.560 1.00 0.00 C +ATOM 1843 HA ILE 121 20.934 28.144 44.008 1.00 0.00 H +ATOM 1844 CB ILE 121 22.570 29.420 44.660 1.00 0.00 C +ATOM 1845 HB ILE 121 23.294 30.116 44.184 1.00 0.00 H +ATOM 1846 CG2 ILE 121 21.860 30.170 45.730 1.00 0.00 C +ATOM 1847 1HG2 ILE 121 22.620 30.500 46.470 1.00 0.00 H +ATOM 1848 2HG2 ILE 121 21.246 31.032 45.392 1.00 0.00 H +ATOM 1849 3HG2 ILE 121 21.160 29.490 46.260 1.00 0.00 H +ATOM 1850 CG1 ILE 121 23.440 28.300 45.360 1.00 0.00 C +ATOM 1851 1HG1 ILE 121 22.678 27.748 45.952 1.00 0.00 H +ATOM 1852 2HG1 ILE 121 23.770 27.560 44.600 1.00 0.00 H +ATOM 1853 CD ILE 121 24.670 28.660 46.140 1.00 0.00 C +ATOM 1854 HD1 ILE 121 25.418 29.298 45.622 1.00 0.00 H +ATOM 1855 HD2 ILE 121 24.480 29.130 47.128 1.00 0.00 H +ATOM 1856 HD3 ILE 121 25.120 27.670 46.370 1.00 0.00 H +ATOM 1857 C ILE 121 20.910 29.950 42.870 1.00 0.00 C +ATOM 1858 O ILE 121 21.560 30.790 42.250 1.00 0.00 O +ATOM 1859 N TYR 122 19.620 29.990 43.020 1.00 0.00 N +ATOM 1860 HN TYR 122 19.230 29.220 43.520 1.00 0.00 H +ATOM 1861 CA TYR 122 18.770 31.150 42.640 1.00 0.00 C +ATOM 1862 HA TYR 122 19.244 31.846 41.964 1.00 0.00 H +ATOM 1863 CB TYR 122 17.410 30.710 41.890 1.00 0.00 C +ATOM 1864 HB1 TYR 122 17.810 30.192 40.992 1.00 0.00 H +ATOM 1865 HB2 TYR 122 16.868 29.968 42.512 1.00 0.00 H +ATOM 1866 CG TYR 122 16.540 31.830 41.330 1.00 0.00 C +ATOM 1867 CD1 TYR 122 15.260 32.030 41.920 1.00 0.00 C +ATOM 1868 HD1 TYR 122 14.880 31.362 42.678 1.00 0.00 H +ATOM 1869 CE1 TYR 122 14.440 33.040 41.460 1.00 0.00 C +ATOM 1870 HE1 TYR 122 13.476 33.238 41.908 1.00 0.00 H +ATOM 1871 CZ TYR 122 14.770 33.770 40.330 1.00 0.00 C +ATOM 1872 OH TYR 122 13.800 34.630 39.840 1.00 0.00 O +ATOM 1873 HH TYR 122 13.264 34.958 40.566 1.00 0.00 H +ATOM 1874 CD2 TYR 122 16.950 32.670 40.240 1.00 0.00 C +ATOM 1875 HD2 TYR 122 17.938 32.590 39.810 1.00 0.00 H +ATOM 1876 CE2 TYR 122 16.020 33.590 39.730 1.00 0.00 C +ATOM 1877 HE2 TYR 122 16.230 34.238 38.892 1.00 0.00 H +ATOM 1878 C TYR 122 18.400 31.970 43.930 1.00 0.00 C +ATOM 1879 O TYR 122 17.850 31.470 44.870 1.00 0.00 O +ATOM 1880 N ILE 123 18.620 33.290 43.860 1.00 0.00 N +ATOM 1881 HN ILE 123 19.060 33.570 43.010 1.00 0.00 H +ATOM 1882 CA ILE 123 18.380 34.160 45.000 1.00 0.00 C +ATOM 1883 HA ILE 123 17.900 33.680 45.840 1.00 0.00 H +ATOM 1884 CB ILE 123 19.660 34.890 45.450 1.00 0.00 C +ATOM 1885 HB ILE 123 20.058 35.518 44.624 1.00 0.00 H +ATOM 1886 CG2 ILE 123 19.400 35.830 46.660 1.00 0.00 C +ATOM 1887 1HG2 ILE 123 19.108 36.846 46.318 1.00 0.00 H +ATOM 1888 2HG2 ILE 123 18.544 35.432 47.248 1.00 0.00 H +ATOM 1889 3HG2 ILE 123 20.260 35.890 47.360 1.00 0.00 H +ATOM 1890 CG1 ILE 123 20.800 33.890 45.630 1.00 0.00 C +ATOM 1891 1HG1 ILE 123 20.690 33.036 46.334 1.00 0.00 H +ATOM 1892 2HG1 ILE 123 21.040 33.478 44.626 1.00 0.00 H +ATOM 1893 CD ILE 123 22.160 34.460 46.110 1.00 0.00 C +ATOM 1894 HD1 ILE 123 22.720 34.990 45.310 1.00 0.00 H +ATOM 1895 HD2 ILE 123 22.050 35.130 46.990 1.00 0.00 H +ATOM 1896 HD3 ILE 123 22.742 33.566 46.422 1.00 0.00 H +ATOM 1897 C ILE 123 17.420 35.110 44.400 1.00 0.00 C +ATOM 1898 O ILE 123 17.670 35.850 43.440 1.00 0.00 O +ATOM 1899 N GLU 124 16.250 35.140 44.970 1.00 0.00 N +ATOM 1900 HN GLU 124 16.010 34.540 45.730 1.00 0.00 H +ATOM 1901 CA GLU 124 15.340 36.270 44.630 1.00 0.00 C +ATOM 1902 HA GLU 124 15.934 37.066 44.208 1.00 0.00 H +ATOM 1903 CB GLU 124 14.220 35.780 43.720 1.00 0.00 C +ATOM 1904 HB1 GLU 124 14.770 35.270 42.900 1.00 0.00 H +ATOM 1905 HB2 GLU 124 13.630 34.990 44.230 1.00 0.00 H +ATOM 1906 CG GLU 124 13.490 36.970 43.130 1.00 0.00 C +ATOM 1907 HG1 GLU 124 13.066 37.666 43.886 1.00 0.00 H +ATOM 1908 HG2 GLU 124 14.240 37.670 42.700 1.00 0.00 H +ATOM 1909 CD GLU 124 12.450 36.580 42.090 1.00 0.00 C +ATOM 1910 OE1 GLU 124 11.850 37.490 41.450 1.00 0.00 O +ATOM 1911 OE2 GLU 124 12.170 35.400 41.820 1.00 0.00 O +ATOM 1912 C GLU 124 14.850 36.770 45.960 1.00 0.00 C +ATOM 1913 O GLU 124 13.910 36.240 46.530 1.00 0.00 O +ATOM 1914 N ASP 125 15.490 37.860 46.490 1.00 0.00 N +ATOM 1915 HN ASP 125 16.194 38.242 45.896 1.00 0.00 H +ATOM 1916 CA ASP 125 15.220 38.600 47.690 1.00 0.00 C +ATOM 1917 HA ASP 125 16.060 39.280 47.720 1.00 0.00 H +ATOM 1918 CB ASP 125 13.950 39.420 47.820 1.00 0.00 C +ATOM 1919 HB1 ASP 125 13.116 38.756 47.508 1.00 0.00 H +ATOM 1920 HB2 ASP 125 13.708 39.742 48.856 1.00 0.00 H +ATOM 1921 CG ASP 125 13.940 40.640 46.990 1.00 0.00 C +ATOM 1922 OD1 ASP 125 14.980 41.080 46.380 1.00 0.00 O +ATOM 1923 OD2 ASP 125 12.840 41.180 46.870 1.00 0.00 O +ATOM 1924 C ASP 125 15.410 37.610 48.810 1.00 0.00 C +ATOM 1925 O ASP 125 16.570 37.270 49.180 1.00 0.00 O +ATOM 1926 N ASP 126 14.300 37.330 49.520 1.00 0.00 N +ATOM 1927 HN ASP 126 13.396 37.632 49.228 1.00 0.00 H +ATOM 1928 CA ASP 126 14.320 36.450 50.680 1.00 0.00 C +ATOM 1929 HA ASP 126 15.292 36.430 51.150 1.00 0.00 H +ATOM 1930 CB ASP 126 13.290 36.830 51.750 1.00 0.00 C +ATOM 1931 HB1 ASP 126 12.250 36.880 51.360 1.00 0.00 H +ATOM 1932 HB2 ASP 126 13.350 36.050 52.540 1.00 0.00 H +ATOM 1933 CG ASP 126 13.560 38.240 52.290 1.00 0.00 C +ATOM 1934 OD1 ASP 126 14.690 38.470 52.840 1.00 0.00 O +ATOM 1935 OD2 ASP 126 12.720 39.110 52.170 1.00 0.00 O +ATOM 1936 C ASP 126 14.030 35.060 50.250 1.00 0.00 C +ATOM 1937 O ASP 126 14.050 34.200 51.110 1.00 0.00 O +ATOM 1938 N ASN 127 13.810 34.830 48.910 1.00 0.00 N +ATOM 1939 HN ASN 127 13.690 35.516 48.194 1.00 0.00 H +ATOM 1940 CA ASN 127 13.520 33.510 48.370 1.00 0.00 C +ATOM 1941 HA ASN 127 13.260 32.800 49.140 1.00 0.00 H +ATOM 1942 CB ASN 127 12.290 33.470 47.350 1.00 0.00 C +ATOM 1943 HB1 ASN 127 12.540 34.152 46.508 1.00 0.00 H +ATOM 1944 HB2 ASN 127 12.090 32.438 46.990 1.00 0.00 H +ATOM 1945 CG ASN 127 10.930 33.990 47.920 1.00 0.00 C +ATOM 1946 OD1 ASN 127 10.680 34.000 49.140 1.00 0.00 O +ATOM 1947 ND2 ASN 127 10.040 34.430 47.070 1.00 0.00 N +ATOM 1948 1HD2 ASN 127 10.260 34.630 46.116 1.00 0.00 H +ATOM 1949 2HD2 ASN 127 9.140 34.630 47.460 1.00 0.00 H +ATOM 1950 C ASN 127 14.730 32.830 47.710 1.00 0.00 C +ATOM 1951 O ASN 127 15.220 33.280 46.670 1.00 0.00 O +ATOM 1952 N VAL 128 15.330 31.750 48.270 1.00 0.00 N +ATOM 1953 HN VAL 128 14.990 31.430 49.150 1.00 0.00 H +ATOM 1954 CA VAL 128 16.570 31.190 47.860 1.00 0.00 C +ATOM 1955 HA VAL 128 16.950 31.630 46.950 1.00 0.00 H +ATOM 1956 CB VAL 128 17.640 31.360 48.880 1.00 0.00 C +ATOM 1957 HB VAL 128 17.218 30.908 49.804 1.00 0.00 H +ATOM 1958 CG1 VAL 128 19.010 30.520 48.650 1.00 0.00 C +ATOM 1959 1HG1 VAL 128 19.390 30.780 47.640 1.00 0.00 H +ATOM 1960 2HG1 VAL 128 19.810 30.700 49.400 1.00 0.00 H +ATOM 1961 3HG1 VAL 128 18.860 29.424 48.750 1.00 0.00 H +ATOM 1962 CG2 VAL 128 17.910 32.860 49.200 1.00 0.00 C +ATOM 1963 1HG2 VAL 128 18.298 33.388 48.302 1.00 0.00 H +ATOM 1964 2HG2 VAL 128 17.030 33.360 49.660 1.00 0.00 H +ATOM 1965 3HG2 VAL 128 18.680 33.040 49.980 1.00 0.00 H +ATOM 1966 C VAL 128 16.270 29.770 47.560 1.00 0.00 C +ATOM 1967 O VAL 128 15.650 29.040 48.350 1.00 0.00 O +ATOM 1968 N SER 129 16.820 29.300 46.440 1.00 0.00 N +ATOM 1969 HN SER 129 17.330 29.910 45.840 1.00 0.00 H +ATOM 1970 CA SER 129 16.370 28.020 45.970 1.00 0.00 C +ATOM 1971 HA SER 129 15.852 27.492 46.758 1.00 0.00 H +ATOM 1972 CB SER 129 15.370 27.920 44.760 1.00 0.00 C +ATOM 1973 HB1 SER 129 15.742 28.592 43.958 1.00 0.00 H +ATOM 1974 HB2 SER 129 15.072 26.904 44.422 1.00 0.00 H +ATOM 1975 OG SER 129 14.190 28.620 45.190 1.00 0.00 O +ATOM 1976 HG1 SER 129 14.330 29.566 45.110 1.00 0.00 H +ATOM 1977 C SER 129 17.620 27.380 45.330 1.00 0.00 C +ATOM 1978 O SER 129 18.560 28.020 44.830 1.00 0.00 O +ATOM 1979 N ILE 130 17.640 26.060 45.330 1.00 0.00 N +ATOM 1980 HN ILE 130 16.892 25.552 45.750 1.00 0.00 H +ATOM 1981 CA ILE 130 18.780 25.240 44.790 1.00 0.00 C +ATOM 1982 HA ILE 130 19.548 25.888 44.392 1.00 0.00 H +ATOM 1983 CB ILE 130 19.370 24.300 45.840 1.00 0.00 C +ATOM 1984 HB ILE 130 18.594 23.732 46.398 1.00 0.00 H +ATOM 1985 CG2 ILE 130 20.290 23.150 45.200 1.00 0.00 C +ATOM 1986 1HG2 ILE 130 19.650 22.640 44.450 1.00 0.00 H +ATOM 1987 2HG2 ILE 130 21.164 23.512 44.618 1.00 0.00 H +ATOM 1988 3HG2 ILE 130 20.570 22.502 46.058 1.00 0.00 H +ATOM 1989 CG1 ILE 130 20.190 25.120 46.920 1.00 0.00 C +ATOM 1990 1HG1 ILE 130 21.152 25.550 46.570 1.00 0.00 H +ATOM 1991 2HG1 ILE 130 19.572 26.018 47.140 1.00 0.00 H +ATOM 1992 CD ILE 130 20.290 24.370 48.250 1.00 0.00 C +ATOM 1993 HD1 ILE 130 19.418 24.550 48.912 1.00 0.00 H +ATOM 1994 HD2 ILE 130 20.510 23.302 48.040 1.00 0.00 H +ATOM 1995 HD3 ILE 130 21.238 24.610 48.778 1.00 0.00 H +ATOM 1996 C ILE 130 18.200 24.420 43.670 1.00 0.00 C +ATOM 1997 O ILE 130 17.270 23.580 43.820 1.00 0.00 O +ATOM 1998 N LEU 131 18.720 24.660 42.440 1.00 0.00 N +ATOM 1999 HN LEU 131 19.558 25.198 42.400 1.00 0.00 H +ATOM 2000 CA LEU 131 18.210 24.110 41.180 1.00 0.00 C +ATOM 2001 HA LEU 131 17.480 23.350 41.420 1.00 0.00 H +ATOM 2002 CB LEU 131 17.690 25.200 40.300 1.00 0.00 C +ATOM 2003 HB1 LEU 131 18.470 25.910 39.950 1.00 0.00 H +ATOM 2004 HB2 LEU 131 17.372 24.872 39.286 1.00 0.00 H +ATOM 2005 CG LEU 131 16.670 26.120 41.000 1.00 0.00 C +ATOM 2006 HG LEU 131 17.092 26.442 41.976 1.00 0.00 H +ATOM 2007 CD1 LEU 131 16.440 27.440 40.200 1.00 0.00 C +ATOM 2008 1HD1 LEU 131 15.668 28.010 40.760 1.00 0.00 H +ATOM 2009 2HD1 LEU 131 17.366 28.014 39.978 1.00 0.00 H +ATOM 2010 3HD1 LEU 131 15.990 27.180 39.218 1.00 0.00 H +ATOM 2011 CD2 LEU 131 15.350 25.370 41.350 1.00 0.00 C +ATOM 2012 1HD2 LEU 131 14.580 26.110 41.660 1.00 0.00 H +ATOM 2013 2HD2 LEU 131 15.082 24.742 40.474 1.00 0.00 H +ATOM 2014 3HD2 LEU 131 15.490 24.680 42.210 1.00 0.00 H +ATOM 2015 C LEU 131 19.330 23.390 40.530 1.00 0.00 C +ATOM 2016 O LEU 131 20.510 23.630 40.770 1.00 0.00 O +ATOM 2017 N SER 132 18.990 22.450 39.670 1.00 0.00 N +ATOM 2018 HN SER 132 18.034 22.270 39.450 1.00 0.00 H +ATOM 2019 CA SER 132 19.970 21.640 38.880 1.00 0.00 C +ATOM 2020 HA SER 132 20.732 21.310 39.572 1.00 0.00 H +ATOM 2021 CB SER 132 19.250 20.340 38.260 1.00 0.00 C +ATOM 2022 HB1 SER 132 19.000 19.722 39.148 1.00 0.00 H +ATOM 2023 HB2 SER 132 18.284 20.712 37.858 1.00 0.00 H +ATOM 2024 OG SER 132 20.030 19.600 37.330 1.00 0.00 O +ATOM 2025 HG1 SER 132 19.662 18.754 37.062 1.00 0.00 H +ATOM 2026 C SER 132 20.720 22.410 37.780 1.00 0.00 C +ATOM 2027 O SER 132 20.270 23.360 37.210 1.00 0.00 O +ATOM 2028 N ALA 133 21.990 22.050 37.600 1.00 0.00 N +ATOM 2029 HN ALA 133 22.388 21.276 38.086 1.00 0.00 H +ATOM 2030 CA ALA 133 22.690 22.580 36.460 1.00 0.00 C +ATOM 2031 HA ALA 133 22.130 23.170 35.750 1.00 0.00 H +ATOM 2032 CB ALA 133 23.840 23.460 37.060 1.00 0.00 C +ATOM 2033 HB1 ALA 133 24.410 22.860 37.800 1.00 0.00 H +ATOM 2034 HB2 ALA 133 24.608 23.858 36.362 1.00 0.00 H +ATOM 2035 HB3 ALA 133 23.392 24.346 37.558 1.00 0.00 H +ATOM 2036 C ALA 133 23.280 21.400 35.650 1.00 0.00 C +ATOM 2037 O ALA 133 24.450 21.470 35.260 1.00 0.00 O +ATOM 2038 N GLU 134 22.470 20.260 35.490 1.00 0.00 N +ATOM 2039 HN GLU 134 21.532 20.190 35.820 1.00 0.00 H +ATOM 2040 CA GLU 134 22.930 19.020 34.840 1.00 0.00 C +ATOM 2041 HA GLU 134 23.898 18.830 35.280 1.00 0.00 H +ATOM 2042 CB GLU 134 21.970 17.820 34.980 1.00 0.00 C +ATOM 2043 HB1 GLU 134 20.962 18.220 34.740 1.00 0.00 H +ATOM 2044 HB2 GLU 134 22.190 16.932 34.350 1.00 0.00 H +ATOM 2045 CG GLU 134 21.840 17.240 36.480 1.00 0.00 C +ATOM 2046 HG1 GLU 134 22.680 16.540 36.670 1.00 0.00 H +ATOM 2047 HG2 GLU 134 21.730 18.002 37.282 1.00 0.00 H +ATOM 2048 CD GLU 134 20.590 16.400 36.520 1.00 0.00 C +ATOM 2049 OE1 GLU 134 20.670 15.150 36.150 1.00 0.00 O +ATOM 2050 OE2 GLU 134 19.570 16.910 37.080 1.00 0.00 O +ATOM 2051 C GLU 134 23.200 19.270 33.300 1.00 0.00 C +ATOM 2052 O GLU 134 24.170 18.740 32.750 1.00 0.00 O +ATOM 2053 N GLY 135 22.310 20.100 32.690 1.00 0.00 N +ATOM 2054 HN GLY 135 21.608 20.472 33.292 1.00 0.00 H +ATOM 2055 CA GLY 135 22.500 20.680 31.390 1.00 0.00 C +ATOM 2056 HA1 GLY 135 22.860 19.930 30.700 1.00 0.00 H +ATOM 2057 HA2 GLY 135 21.520 21.010 31.080 1.00 0.00 H +ATOM 2058 C GLY 135 23.450 21.820 31.230 1.00 0.00 C +ATOM 2059 O GLY 135 24.020 22.010 30.170 1.00 0.00 O +ATOM 2060 N LEU 136 23.680 22.600 32.280 1.00 0.00 N +ATOM 2061 HN LEU 136 23.098 22.490 33.082 1.00 0.00 H +ATOM 2062 CA LEU 136 24.710 23.640 32.210 1.00 0.00 C +ATOM 2063 HA LEU 136 24.750 24.040 31.208 1.00 0.00 H +ATOM 2064 CB LEU 136 24.460 24.760 33.220 1.00 0.00 C +ATOM 2065 HB1 LEU 136 24.520 24.304 34.232 1.00 0.00 H +ATOM 2066 HB2 LEU 136 25.150 25.620 33.080 1.00 0.00 H +ATOM 2067 CG LEU 136 23.070 25.420 33.050 1.00 0.00 C +ATOM 2068 HG LEU 136 22.282 24.642 33.150 1.00 0.00 H +ATOM 2069 CD1 LEU 136 22.600 26.460 34.110 1.00 0.00 C +ATOM 2070 1HD1 LEU 136 23.354 27.266 34.230 1.00 0.00 H +ATOM 2071 2HD1 LEU 136 21.614 26.908 33.860 1.00 0.00 H +ATOM 2072 3HD1 LEU 136 22.370 25.930 35.060 1.00 0.00 H +ATOM 2073 CD2 LEU 136 22.810 26.020 31.700 1.00 0.00 C +ATOM 2074 1HD2 LEU 136 23.290 27.022 31.670 1.00 0.00 H +ATOM 2075 2HD2 LEU 136 23.102 25.364 30.852 1.00 0.00 H +ATOM 2076 3HD2 LEU 136 21.710 26.170 31.640 1.00 0.00 H +ATOM 2077 C LEU 136 26.080 23.140 32.310 1.00 0.00 C +ATOM 2078 O LEU 136 27.000 23.750 31.760 1.00 0.00 O +ATOM 2079 N TRP 137 26.290 22.050 33.040 1.00 0.00 N +ATOM 2080 HN TRP 137 25.600 21.450 33.440 1.00 0.00 H +ATOM 2081 CA TRP 137 27.670 21.410 33.300 1.00 0.00 C +ATOM 2082 HA TRP 137 28.318 22.196 33.658 1.00 0.00 H +ATOM 2083 CB TRP 137 27.490 20.130 34.220 1.00 0.00 C +ATOM 2084 HB1 TRP 137 26.792 20.488 35.008 1.00 0.00 H +ATOM 2085 HB2 TRP 137 26.922 19.292 33.762 1.00 0.00 H +ATOM 2086 CG TRP 137 28.660 19.510 34.930 1.00 0.00 C +ATOM 2087 CD1 TRP 137 29.300 18.270 34.740 1.00 0.00 C +ATOM 2088 HD1 TRP 137 29.100 17.672 33.862 1.00 0.00 H +ATOM 2089 NE1 TRP 137 30.410 18.140 35.550 1.00 0.00 N +ATOM 2090 HE1 TRP 137 31.186 17.552 35.470 1.00 0.00 H +ATOM 2091 CE2 TRP 137 30.490 19.230 36.360 1.00 0.00 C +ATOM 2092 CD2 TRP 137 29.410 20.080 36.050 1.00 0.00 C +ATOM 2093 CE3 TRP 137 29.300 21.260 36.770 1.00 0.00 C +ATOM 2094 HE3 TRP 137 28.478 21.922 36.540 1.00 0.00 H +ATOM 2095 CZ3 TRP 137 30.100 21.580 37.750 1.00 0.00 C +ATOM 2096 HZ3 TRP 137 29.960 22.412 38.422 1.00 0.00 H +ATOM 2097 CZ2 TRP 137 31.320 19.460 37.420 1.00 0.00 C +ATOM 2098 HZ2 TRP 137 32.098 18.772 37.720 1.00 0.00 H +ATOM 2099 CH2 TRP 137 31.030 20.620 38.180 1.00 0.00 C +ATOM 2100 HH2 TRP 137 31.640 20.820 39.050 1.00 0.00 H +ATOM 2101 C TRP 137 28.220 20.970 32.000 1.00 0.00 C +ATOM 2102 O TRP 137 27.660 20.260 31.220 1.00 0.00 O +ATOM 2103 N GLY 138 29.410 21.390 31.570 1.00 0.00 N +ATOM 2104 HN GLY 138 29.840 22.010 32.220 1.00 0.00 H +ATOM 2105 CA GLY 138 30.040 21.070 30.330 1.00 0.00 C +ATOM 2106 HA1 GLY 138 31.092 20.990 30.560 1.00 0.00 H +ATOM 2107 HA2 GLY 138 29.720 20.148 29.868 1.00 0.00 H +ATOM 2108 C GLY 138 29.920 22.060 29.190 1.00 0.00 C +ATOM 2109 O GLY 138 30.560 21.940 28.150 1.00 0.00 O +ATOM 2110 N LYS 139 29.170 23.190 29.360 1.00 0.00 N +ATOM 2111 HN LYS 139 28.618 23.300 30.182 1.00 0.00 H +ATOM 2112 CA LYS 139 29.010 24.360 28.510 1.00 0.00 C +ATOM 2113 HA LYS 139 29.362 24.148 27.512 1.00 0.00 H +ATOM 2114 CB LYS 139 27.510 24.840 28.500 1.00 0.00 C +ATOM 2115 HB1 LYS 139 27.158 24.970 29.546 1.00 0.00 H +ATOM 2116 HB2 LYS 139 27.570 25.870 28.090 1.00 0.00 H +ATOM 2117 CG LYS 139 26.460 23.930 27.810 1.00 0.00 C +ATOM 2118 HG1 LYS 139 26.720 23.880 26.730 1.00 0.00 H +ATOM 2119 HG2 LYS 139 26.560 22.908 28.232 1.00 0.00 H +ATOM 2120 CD LYS 139 25.110 24.390 28.140 1.00 0.00 C +ATOM 2121 HD1 LYS 139 24.770 24.630 29.170 1.00 0.00 H +ATOM 2122 HD2 LYS 139 24.940 25.368 27.640 1.00 0.00 H +ATOM 2123 CE LYS 139 24.110 23.430 27.330 1.00 0.00 C +ATOM 2124 HE1 LYS 139 24.360 23.470 26.248 1.00 0.00 H +ATOM 2125 HE2 LYS 139 24.170 22.400 27.740 1.00 0.00 H +ATOM 2126 NZ LYS 139 22.730 23.760 27.650 1.00 0.00 N +ATOM 2127 HZ1 LYS 139 22.710 24.800 27.650 1.00 0.00 H +ATOM 2128 HZ2 LYS 139 21.982 23.480 26.982 1.00 0.00 H +ATOM 2129 HZ3 LYS 139 22.530 23.360 28.590 1.00 0.00 H +ATOM 2130 C LYS 139 29.860 25.430 29.090 1.00 0.00 C +ATOM 2131 O LYS 139 30.090 25.510 30.290 1.00 0.00 O +ATOM 2132 N THR 140 30.430 26.310 28.150 1.00 0.00 N +ATOM 2133 HN THR 140 30.300 26.110 27.182 1.00 0.00 H +ATOM 2134 CA THR 140 31.290 27.430 28.500 1.00 0.00 C +ATOM 2135 HA THR 140 32.130 26.980 29.010 1.00 0.00 H +ATOM 2136 CB THR 140 31.930 28.140 27.290 1.00 0.00 C +ATOM 2137 HB THR 140 32.676 28.896 27.618 1.00 0.00 H +ATOM 2138 OG1 THR 140 30.980 28.780 26.500 1.00 0.00 O +ATOM 2139 HG1 THR 140 30.534 28.104 25.984 1.00 0.00 H +ATOM 2140 CG2 THR 140 32.740 27.050 26.520 1.00 0.00 C +ATOM 2141 1HG2 THR 140 33.308 27.528 25.694 1.00 0.00 H +ATOM 2142 2HG2 THR 140 33.400 26.520 27.240 1.00 0.00 H +ATOM 2143 3HG2 THR 140 31.992 26.412 26.002 1.00 0.00 H +ATOM 2144 C THR 140 30.600 28.430 29.470 1.00 0.00 C +ATOM 2145 O THR 140 29.390 28.430 29.610 1.00 0.00 O +ATOM 2146 N THR 141 31.360 29.390 30.050 1.00 0.00 N +ATOM 2147 HN THR 141 32.314 29.520 29.790 1.00 0.00 H +ATOM 2148 CA THR 141 30.920 30.450 30.950 1.00 0.00 C +ATOM 2149 HA THR 141 30.506 30.016 31.848 1.00 0.00 H +ATOM 2150 CB THR 141 32.040 31.330 31.360 1.00 0.00 C +ATOM 2151 HB THR 141 31.660 32.162 31.990 1.00 0.00 H +ATOM 2152 OG1 THR 141 32.830 31.730 30.270 1.00 0.00 O +ATOM 2153 HG1 THR 141 33.670 32.070 30.590 1.00 0.00 H +ATOM 2154 CG2 THR 141 33.030 30.550 32.210 1.00 0.00 C +ATOM 2155 1HG2 THR 141 33.570 29.802 31.590 1.00 0.00 H +ATOM 2156 2HG2 THR 141 33.740 31.320 32.580 1.00 0.00 H +ATOM 2157 3HG2 THR 141 32.568 30.048 33.086 1.00 0.00 H +ATOM 2158 C THR 141 29.860 31.340 30.350 1.00 0.00 C +ATOM 2159 O THR 141 28.920 31.740 31.000 1.00 0.00 O +ATOM 2160 N PHE 142 30.060 31.740 29.060 1.00 0.00 N +ATOM 2161 HN PHE 142 30.878 31.520 28.532 1.00 0.00 H +ATOM 2162 CA PHE 142 29.220 32.570 28.270 1.00 0.00 C +ATOM 2163 HA PHE 142 28.980 33.484 28.792 1.00 0.00 H +ATOM 2164 CB PHE 142 29.850 33.050 26.930 1.00 0.00 C +ATOM 2165 HB1 PHE 142 29.770 32.256 26.156 1.00 0.00 H +ATOM 2166 HB2 PHE 142 29.242 33.876 26.502 1.00 0.00 H +ATOM 2167 CG PHE 142 31.200 33.620 26.980 1.00 0.00 C +ATOM 2168 CD1 PHE 142 31.920 34.000 28.100 1.00 0.00 C +ATOM 2169 HD1 PHE 142 31.510 33.940 29.098 1.00 0.00 H +ATOM 2170 CE1 PHE 142 33.230 34.520 27.960 1.00 0.00 C +ATOM 2171 HE1 PHE 142 33.772 34.962 28.782 1.00 0.00 H +ATOM 2172 CZ PHE 142 33.800 34.700 26.680 1.00 0.00 C +ATOM 2173 HZ PHE 142 34.782 35.150 26.680 1.00 0.00 H +ATOM 2174 CD2 PHE 142 31.800 33.790 25.750 1.00 0.00 C +ATOM 2175 HD2 PHE 142 31.312 33.530 24.822 1.00 0.00 H +ATOM 2176 CE2 PHE 142 33.100 34.300 25.520 1.00 0.00 C +ATOM 2177 HE2 PHE 142 33.490 34.490 24.530 1.00 0.00 H +ATOM 2178 C PHE 142 27.890 31.890 27.890 1.00 0.00 C +ATOM 2179 O PHE 142 26.850 32.560 28.000 1.00 0.00 O +ATOM 2180 N GLU 143 28.020 30.610 27.530 1.00 0.00 N +ATOM 2181 HN GLU 143 28.888 30.130 27.430 1.00 0.00 H +ATOM 2182 CA GLU 143 26.900 29.810 27.160 1.00 0.00 C +ATOM 2183 HA GLU 143 26.316 30.344 26.426 1.00 0.00 H +ATOM 2184 CB GLU 143 27.380 28.460 26.580 1.00 0.00 C +ATOM 2185 HB1 GLU 143 28.190 28.020 27.200 1.00 0.00 H +ATOM 2186 HB2 GLU 143 26.562 27.752 26.320 1.00 0.00 H +ATOM 2187 CG GLU 143 28.010 28.680 25.220 1.00 0.00 C +ATOM 2188 HG1 GLU 143 27.300 29.200 24.540 1.00 0.00 H +ATOM 2189 HG2 GLU 143 28.890 29.350 25.320 1.00 0.00 H +ATOM 2190 CD GLU 143 28.410 27.330 24.610 1.00 0.00 C +ATOM 2191 OE1 GLU 143 27.640 26.770 23.780 1.00 0.00 O +ATOM 2192 OE2 GLU 143 29.490 26.780 25.030 1.00 0.00 O +ATOM 2193 C GLU 143 26.000 29.610 28.320 1.00 0.00 C +ATOM 2194 O GLU 143 24.790 29.760 28.180 1.00 0.00 O +ATOM 2195 N THR 144 26.580 29.250 29.460 1.00 0.00 N +ATOM 2196 HN THR 144 27.560 29.090 29.380 1.00 0.00 H +ATOM 2197 CA THR 144 25.940 29.170 30.760 1.00 0.00 C +ATOM 2198 HA THR 144 25.142 28.452 30.650 1.00 0.00 H +ATOM 2199 CB THR 144 26.860 28.920 31.910 1.00 0.00 C +ATOM 2200 HB THR 144 27.620 29.730 31.870 1.00 0.00 H +ATOM 2201 OG1 THR 144 27.540 27.670 31.640 1.00 0.00 O +ATOM 2202 HG1 THR 144 28.162 27.840 30.928 1.00 0.00 H +ATOM 2203 CG2 THR 144 26.100 28.670 33.190 1.00 0.00 C +ATOM 2204 1HG2 THR 144 26.850 28.360 33.950 1.00 0.00 H +ATOM 2205 2HG2 THR 144 25.572 29.588 33.528 1.00 0.00 H +ATOM 2206 3HG2 THR 144 25.458 27.766 33.130 1.00 0.00 H +ATOM 2207 C THR 144 25.260 30.530 31.150 1.00 0.00 C +ATOM 2208 O THR 144 24.090 30.550 31.420 1.00 0.00 O +ATOM 2209 N GLU 145 26.050 31.670 31.050 1.00 0.00 N +ATOM 2210 HN GLU 145 27.044 31.720 31.000 1.00 0.00 H +ATOM 2211 CA GLU 145 25.550 32.970 31.380 1.00 0.00 C +ATOM 2212 HA GLU 145 25.322 32.900 32.434 1.00 0.00 H +ATOM 2213 CB GLU 145 26.700 34.040 31.270 1.00 0.00 C +ATOM 2214 HB1 GLU 145 27.300 33.820 32.180 1.00 0.00 H +ATOM 2215 HB2 GLU 145 27.360 33.790 30.412 1.00 0.00 H +ATOM 2216 CG GLU 145 26.150 35.480 31.310 1.00 0.00 C +ATOM 2217 HG1 GLU 145 25.678 35.770 30.348 1.00 0.00 H +ATOM 2218 HG2 GLU 145 25.328 35.700 32.022 1.00 0.00 H +ATOM 2219 CD GLU 145 27.220 36.540 31.430 1.00 0.00 C +ATOM 2220 OE1 GLU 145 26.810 37.750 31.330 1.00 0.00 O +ATOM 2221 OE2 GLU 145 28.410 36.330 31.700 1.00 0.00 O +ATOM 2222 C GLU 145 24.310 33.420 30.690 1.00 0.00 C +ATOM 2223 O GLU 145 23.240 33.760 31.240 1.00 0.00 O +ATOM 2224 N ARG 146 24.360 33.320 29.360 1.00 0.00 N +ATOM 2225 HN ARG 146 25.254 33.018 29.038 1.00 0.00 H +ATOM 2226 CA ARG 146 23.290 33.620 28.390 1.00 0.00 C +ATOM 2227 HA ARG 146 22.970 34.640 28.550 1.00 0.00 H +ATOM 2228 CB ARG 146 23.690 33.460 26.960 1.00 0.00 C +ATOM 2229 HB1 ARG 146 24.028 32.406 26.860 1.00 0.00 H +ATOM 2230 HB2 ARG 146 22.786 33.450 26.316 1.00 0.00 H +ATOM 2231 CG ARG 146 24.780 34.420 26.450 1.00 0.00 C +ATOM 2232 HG1 ARG 146 24.288 35.384 26.200 1.00 0.00 H +ATOM 2233 HG2 ARG 146 25.478 34.630 27.288 1.00 0.00 H +ATOM 2234 CD ARG 146 25.490 33.940 25.240 1.00 0.00 C +ATOM 2235 HD1 ARG 146 26.020 33.030 25.590 1.00 0.00 H +ATOM 2236 HD2 ARG 146 24.822 33.642 24.404 1.00 0.00 H +ATOM 2237 NE ARG 146 26.500 34.990 24.780 1.00 0.00 N +ATOM 2238 HE ARG 146 26.620 35.810 25.340 1.00 0.00 H +ATOM 2239 CZ ARG 146 27.690 34.730 24.210 1.00 0.00 C +ATOM 2240 NH1 ARG 146 27.910 33.640 23.500 1.00 0.00 N +ATOM 2241 1HH1 ARG 146 27.228 32.918 23.390 1.00 0.00 H +ATOM 2242 2HH1 ARG 146 28.542 33.570 22.728 1.00 0.00 H +ATOM 2243 NH2 ARG 146 28.640 35.620 24.040 1.00 0.00 N +ATOM 2244 1HH2 ARG 146 28.530 36.588 24.270 1.00 0.00 H +ATOM 2245 2HH2 ARG 146 29.428 35.410 23.462 1.00 0.00 H +ATOM 2246 C ARG 146 22.060 32.710 28.620 1.00 0.00 C +ATOM 2247 O ARG 146 21.000 33.260 28.590 1.00 0.00 O +ATOM 2248 N GLU 147 22.150 31.420 28.870 1.00 0.00 N +ATOM 2249 HN GLU 147 23.090 31.090 28.890 1.00 0.00 H +ATOM 2250 CA GLU 147 21.150 30.460 29.210 1.00 0.00 C +ATOM 2251 HA GLU 147 20.372 30.430 28.462 1.00 0.00 H +ATOM 2252 CB GLU 147 21.830 29.040 29.240 1.00 0.00 C +ATOM 2253 HB1 GLU 147 22.378 29.110 28.274 1.00 0.00 H +ATOM 2254 HB2 GLU 147 22.524 28.748 30.056 1.00 0.00 H +ATOM 2255 CG GLU 147 20.840 27.870 29.130 1.00 0.00 C +ATOM 2256 HG1 GLU 147 20.360 27.620 30.100 1.00 0.00 H +ATOM 2257 HG2 GLU 147 20.008 28.262 28.508 1.00 0.00 H +ATOM 2258 CD GLU 147 21.340 26.480 28.500 1.00 0.00 C +ATOM 2259 OE1 GLU 147 20.480 25.640 28.340 1.00 0.00 O +ATOM 2260 OE2 GLU 147 22.520 26.300 28.100 1.00 0.00 O +ATOM 2261 C GLU 147 20.390 30.680 30.430 1.00 0.00 C +ATOM 2262 O GLU 147 19.220 30.470 30.460 1.00 0.00 O +ATOM 2263 N LEU 148 21.100 31.050 31.520 1.00 0.00 N +ATOM 2264 HN LEU 148 22.094 31.020 31.470 1.00 0.00 H +ATOM 2265 CA LEU 148 20.530 31.520 32.730 1.00 0.00 C +ATOM 2266 HA LEU 148 19.752 30.842 33.050 1.00 0.00 H +ATOM 2267 CB LEU 148 21.600 31.550 33.850 1.00 0.00 C +ATOM 2268 HB1 LEU 148 22.382 32.272 33.530 1.00 0.00 H +ATOM 2269 HB2 LEU 148 21.150 32.000 34.760 1.00 0.00 H +ATOM 2270 CG LEU 148 22.130 30.150 34.220 1.00 0.00 C +ATOM 2271 HG LEU 148 22.390 29.700 33.238 1.00 0.00 H +ATOM 2272 CD1 LEU 148 23.350 30.280 35.110 1.00 0.00 C +ATOM 2273 1HD1 LEU 148 24.218 30.818 34.672 1.00 0.00 H +ATOM 2274 2HD1 LEU 148 23.150 30.708 36.116 1.00 0.00 H +ATOM 2275 3HD1 LEU 148 23.752 29.276 35.362 1.00 0.00 H +ATOM 2276 CD2 LEU 148 21.020 29.290 34.870 1.00 0.00 C +ATOM 2277 1HD2 LEU 148 20.490 29.880 35.650 1.00 0.00 H +ATOM 2278 2HD2 LEU 148 20.278 28.998 34.098 1.00 0.00 H +ATOM 2279 3HD2 LEU 148 21.480 28.410 35.370 1.00 0.00 H +ATOM 2280 C LEU 148 19.830 32.870 32.600 1.00 0.00 C +ATOM 2281 O LEU 148 18.850 33.110 33.230 1.00 0.00 O +ATOM 2282 N LYS 149 20.310 33.780 31.720 1.00 0.00 N +ATOM 2283 HN LYS 149 21.156 33.620 31.216 1.00 0.00 H +ATOM 2284 CA LYS 149 19.610 34.970 31.330 1.00 0.00 C +ATOM 2285 HA LYS 149 19.360 35.560 32.200 1.00 0.00 H +ATOM 2286 CB LYS 149 20.450 35.990 30.560 1.00 0.00 C +ATOM 2287 HB1 LYS 149 21.196 35.522 29.882 1.00 0.00 H +ATOM 2288 HB2 LYS 149 19.760 36.650 29.990 1.00 0.00 H +ATOM 2289 CG LYS 149 21.270 36.910 31.470 1.00 0.00 C +ATOM 2290 HG1 LYS 149 20.762 37.886 31.620 1.00 0.00 H +ATOM 2291 HG2 LYS 149 21.390 36.318 32.402 1.00 0.00 H +ATOM 2292 CD LYS 149 22.610 37.340 30.860 1.00 0.00 C +ATOM 2293 HD1 LYS 149 23.282 36.498 30.590 1.00 0.00 H +ATOM 2294 HD2 LYS 149 22.370 37.830 29.892 1.00 0.00 H +ATOM 2295 CE LYS 149 23.350 38.340 31.740 1.00 0.00 C +ATOM 2296 HE1 LYS 149 22.710 39.182 32.080 1.00 0.00 H +ATOM 2297 HE2 LYS 149 23.780 37.890 32.660 1.00 0.00 H +ATOM 2298 NZ LYS 149 24.390 38.930 30.950 1.00 0.00 N +ATOM 2299 HZ1 LYS 149 25.232 38.320 30.970 1.00 0.00 H +ATOM 2300 HZ2 LYS 149 24.142 39.338 30.026 1.00 0.00 H +ATOM 2301 HZ3 LYS 149 24.630 39.868 31.330 1.00 0.00 H +ATOM 2302 C LYS 149 18.280 34.730 30.670 1.00 0.00 C +ATOM 2303 O LYS 149 17.320 35.460 30.930 1.00 0.00 O +ATOM 2304 N GLU 150 18.210 33.700 29.740 1.00 0.00 N +ATOM 2305 HN GLU 150 19.126 33.342 29.580 1.00 0.00 H +ATOM 2306 CA GLU 150 16.990 33.150 29.130 1.00 0.00 C +ATOM 2307 HA GLU 150 16.518 33.982 28.628 1.00 0.00 H +ATOM 2308 CB GLU 150 17.290 32.030 28.120 1.00 0.00 C +ATOM 2309 HB1 GLU 150 17.738 31.112 28.558 1.00 0.00 H +ATOM 2310 HB2 GLU 150 16.306 31.792 27.662 1.00 0.00 H +ATOM 2311 CG GLU 150 18.050 32.630 26.900 1.00 0.00 C +ATOM 2312 HG1 GLU 150 17.516 33.566 26.628 1.00 0.00 H +ATOM 2313 HG2 GLU 150 19.080 32.860 27.250 1.00 0.00 H +ATOM 2314 CD GLU 150 18.060 31.840 25.610 1.00 0.00 C +ATOM 2315 OE1 GLU 150 18.730 32.290 24.570 1.00 0.00 O +ATOM 2316 OE2 GLU 150 17.460 30.760 25.510 1.00 0.00 O +ATOM 2317 C GLU 150 16.000 32.730 30.190 1.00 0.00 C +ATOM 2318 O GLU 150 14.850 33.040 30.150 1.00 0.00 O +ATOM 2319 N ILE 151 16.450 31.920 31.110 1.00 0.00 N +ATOM 2320 HN ILE 151 17.414 31.680 31.030 1.00 0.00 H +ATOM 2321 CA ILE 151 15.640 31.420 32.210 1.00 0.00 C +ATOM 2322 HA ILE 151 14.728 31.130 31.710 1.00 0.00 H +ATOM 2323 CB ILE 151 16.450 30.250 32.910 1.00 0.00 C +ATOM 2324 HB ILE 151 17.466 30.582 33.212 1.00 0.00 H +ATOM 2325 CG2 ILE 151 15.590 29.810 34.200 1.00 0.00 C +ATOM 2326 1HG2 ILE 151 14.520 29.790 33.900 1.00 0.00 H +ATOM 2327 2HG2 ILE 151 15.880 28.772 34.470 1.00 0.00 H +ATOM 2328 3HG2 ILE 151 15.690 30.546 35.026 1.00 0.00 H +ATOM 2329 CG1 ILE 151 16.650 29.000 32.020 1.00 0.00 C +ATOM 2330 1HG1 ILE 151 15.710 28.410 32.090 1.00 0.00 H +ATOM 2331 2HG1 ILE 151 16.750 29.398 30.986 1.00 0.00 H +ATOM 2332 CD ILE 151 17.930 28.140 32.290 1.00 0.00 C +ATOM 2333 HD1 ILE 151 18.140 27.330 31.560 1.00 0.00 H +ATOM 2334 HD2 ILE 151 18.830 28.790 32.270 1.00 0.00 H +ATOM 2335 HD3 ILE 151 17.930 27.652 33.288 1.00 0.00 H +ATOM 2336 C ILE 151 15.180 32.410 33.240 1.00 0.00 C +ATOM 2337 O ILE 151 14.060 32.300 33.680 1.00 0.00 O +ATOM 2338 N HIS 152 16.030 33.350 33.690 1.00 0.00 N +ATOM 2339 HN HIS 152 16.936 33.430 33.282 1.00 0.00 H +ATOM 2340 CA HIS 152 15.770 34.130 34.870 1.00 0.00 C +ATOM 2341 HA HIS 152 14.858 33.770 35.322 1.00 0.00 H +ATOM 2342 CB HIS 152 16.950 33.950 35.810 1.00 0.00 C +ATOM 2343 HB1 HIS 152 17.886 34.170 35.252 1.00 0.00 H +ATOM 2344 HB2 HIS 152 16.830 34.620 36.688 1.00 0.00 H +ATOM 2345 ND1 HIS 152 16.000 32.040 37.080 1.00 0.00 N +ATOM 2346 CG HIS 152 17.050 32.570 36.310 1.00 0.00 C +ATOM 2347 CE1 HIS 152 16.320 30.840 37.450 1.00 0.00 C +ATOM 2348 HE1 HIS 152 15.718 30.288 38.172 1.00 0.00 H +ATOM 2349 NE2 HIS 152 17.510 30.510 36.850 1.00 0.00 N +ATOM 2350 HE2 HIS 152 18.060 29.680 36.940 1.00 0.00 H +ATOM 2351 CD2 HIS 152 17.960 31.620 36.140 1.00 0.00 C +ATOM 2352 HD2 HIS 152 18.872 31.510 35.568 1.00 0.00 H +ATOM 2353 C HIS 152 15.530 35.580 34.510 1.00 0.00 C +ATOM 2354 O HIS 152 15.090 36.380 35.390 1.00 0.00 O +ATOM 2355 N GLY 153 15.610 35.900 33.260 1.00 0.00 N +ATOM 2356 HN GLY 153 15.700 35.174 32.582 1.00 0.00 H +ATOM 2357 CA GLY 153 15.560 37.280 32.810 1.00 0.00 C +ATOM 2358 HA1 GLY 153 15.176 37.300 31.802 1.00 0.00 H +ATOM 2359 HA2 GLY 153 15.060 37.920 33.520 1.00 0.00 H +ATOM 2360 C GLY 153 17.010 37.880 32.660 1.00 0.00 C +ATOM 2361 O GLY 153 18.020 37.500 33.220 1.00 0.00 O +ATOM 2362 N LYS 154 16.940 39.100 32.020 1.00 0.00 N +ATOM 2363 HN LYS 154 16.064 39.422 31.668 1.00 0.00 H +ATOM 2364 CA LYS 154 18.120 39.890 31.720 1.00 0.00 C +ATOM 2365 HA LYS 154 18.996 39.276 31.570 1.00 0.00 H +ATOM 2366 CB LYS 154 17.980 40.690 30.350 1.00 0.00 C +ATOM 2367 HB1 LYS 154 16.988 41.186 30.430 1.00 0.00 H +ATOM 2368 HB2 LYS 154 18.742 41.492 30.270 1.00 0.00 H +ATOM 2369 CG LYS 154 18.070 39.690 29.150 1.00 0.00 C +ATOM 2370 HG1 LYS 154 19.000 39.090 29.240 1.00 0.00 H +ATOM 2371 HG2 LYS 154 17.174 39.036 29.180 1.00 0.00 H +ATOM 2372 CD LYS 154 18.040 40.550 27.820 1.00 0.00 C +ATOM 2373 HD1 LYS 154 17.088 41.122 27.850 1.00 0.00 H +ATOM 2374 HD2 LYS 154 18.938 41.198 27.920 1.00 0.00 H +ATOM 2375 CE LYS 154 18.190 39.670 26.500 1.00 0.00 C +ATOM 2376 HE1 LYS 154 19.130 39.080 26.480 1.00 0.00 H +ATOM 2377 HE2 LYS 154 17.352 38.952 26.370 1.00 0.00 H +ATOM 2378 NZ LYS 154 18.180 40.470 25.340 1.00 0.00 N +ATOM 2379 HZ1 LYS 154 17.264 40.892 25.088 1.00 0.00 H +ATOM 2380 HZ2 LYS 154 18.784 41.264 25.632 1.00 0.00 H +ATOM 2381 HZ3 LYS 154 18.602 39.928 24.558 1.00 0.00 H +ATOM 2382 C LYS 154 18.480 40.900 32.750 1.00 0.00 C +ATOM 2383 O LYS 154 19.590 41.500 32.700 1.00 0.00 O +ATOM 2384 N ASN 155 17.650 41.210 33.770 1.00 0.00 N +ATOM 2385 HN ASN 155 16.704 40.898 33.750 1.00 0.00 H +ATOM 2386 CA ASN 155 18.050 42.020 34.850 1.00 0.00 C +ATOM 2387 HA ASN 155 18.930 42.590 34.590 1.00 0.00 H +ATOM 2388 CB ASN 155 17.030 43.080 35.120 1.00 0.00 C +ATOM 2389 HB1 ASN 155 16.700 43.558 34.172 1.00 0.00 H +ATOM 2390 HB2 ASN 155 16.056 42.574 35.298 1.00 0.00 H +ATOM 2391 CG ASN 155 17.380 44.150 36.180 1.00 0.00 C +ATOM 2392 OD1 ASN 155 18.530 44.510 36.350 1.00 0.00 O +ATOM 2393 ND2 ASN 155 16.370 44.780 36.770 1.00 0.00 N +ATOM 2394 1HD2 ASN 155 15.470 44.380 36.600 1.00 0.00 H +ATOM 2395 2HD2 ASN 155 16.480 45.674 37.206 1.00 0.00 H +ATOM 2396 C ASN 155 18.400 41.220 36.110 1.00 0.00 C +ATOM 2397 O ASN 155 17.780 41.260 37.200 1.00 0.00 O +ATOM 2398 N VAL 156 19.380 40.310 36.050 1.00 0.00 N +ATOM 2399 HN VAL 156 19.840 40.070 35.200 1.00 0.00 H +ATOM 2400 CA VAL 156 19.820 39.350 37.090 1.00 0.00 C +ATOM 2401 HA VAL 156 19.462 39.698 38.048 1.00 0.00 H +ATOM 2402 CB VAL 156 19.480 37.900 36.910 1.00 0.00 C +ATOM 2403 HB VAL 156 19.800 37.260 37.760 1.00 0.00 H +ATOM 2404 CG1 VAL 156 17.950 37.850 36.900 1.00 0.00 C +ATOM 2405 1HG1 VAL 156 17.678 37.890 37.976 1.00 0.00 H +ATOM 2406 2HG1 VAL 156 17.582 38.596 36.164 1.00 0.00 H +ATOM 2407 3HG1 VAL 156 17.648 36.876 36.458 1.00 0.00 H +ATOM 2408 CG2 VAL 156 19.960 37.160 35.660 1.00 0.00 C +ATOM 2409 1HG2 VAL 156 21.028 36.870 35.760 1.00 0.00 H +ATOM 2410 2HG2 VAL 156 19.440 36.188 35.520 1.00 0.00 H +ATOM 2411 3HG2 VAL 156 19.810 37.780 34.750 1.00 0.00 H +ATOM 2412 C VAL 156 21.350 39.470 37.090 1.00 0.00 C +ATOM 2413 O VAL 156 22.040 39.790 36.140 1.00 0.00 O +ATOM 2414 N GLY 157 21.980 39.080 38.230 1.00 0.00 N +ATOM 2415 HN GLY 157 21.492 38.980 39.094 1.00 0.00 H +ATOM 2416 CA GLY 157 23.410 39.070 38.310 1.00 0.00 C +ATOM 2417 HA1 GLY 157 23.890 39.718 37.592 1.00 0.00 H +ATOM 2418 HA2 GLY 157 23.610 39.350 39.334 1.00 0.00 H +ATOM 2419 C GLY 157 23.880 37.670 38.070 1.00 0.00 C +ATOM 2420 O GLY 157 23.250 36.670 38.530 1.00 0.00 O +ATOM 2421 N VAL 158 25.010 37.480 37.400 1.00 0.00 N +ATOM 2422 HN VAL 158 25.430 38.270 36.960 1.00 0.00 H +ATOM 2423 CA VAL 158 25.410 36.180 36.880 1.00 0.00 C +ATOM 2424 HA VAL 158 24.832 35.452 37.428 1.00 0.00 H +ATOM 2425 CB VAL 158 25.170 36.060 35.370 1.00 0.00 C +ATOM 2426 HB VAL 158 25.850 36.730 34.800 1.00 0.00 H +ATOM 2427 CG1 VAL 158 25.270 34.570 34.910 1.00 0.00 C +ATOM 2428 1HG1 VAL 158 25.220 34.520 33.802 1.00 0.00 H +ATOM 2429 2HG1 VAL 158 26.300 34.270 35.200 1.00 0.00 H +ATOM 2430 3HG1 VAL 158 24.532 33.852 35.328 1.00 0.00 H +ATOM 2431 CG2 VAL 158 23.750 36.660 35.050 1.00 0.00 C +ATOM 2432 1HG2 VAL 158 23.428 36.348 34.034 1.00 0.00 H +ATOM 2433 2HG2 VAL 158 23.038 36.400 35.862 1.00 0.00 H +ATOM 2434 3HG2 VAL 158 23.780 37.770 35.010 1.00 0.00 H +ATOM 2435 C VAL 158 26.930 35.920 37.140 1.00 0.00 C +ATOM 2436 O VAL 158 27.830 36.660 36.730 1.00 0.00 O +ATOM 2437 N LEU 159 27.150 34.910 38.050 1.00 0.00 N +ATOM 2438 HN LEU 159 26.442 34.512 38.628 1.00 0.00 H +ATOM 2439 CA LEU 159 28.410 34.360 38.430 1.00 0.00 C +ATOM 2440 HA LEU 159 29.186 34.818 37.834 1.00 0.00 H +ATOM 2441 CB LEU 159 28.570 34.480 39.930 1.00 0.00 C +ATOM 2442 HB1 LEU 159 27.854 33.724 40.318 1.00 0.00 H +ATOM 2443 HB2 LEU 159 29.564 34.138 40.292 1.00 0.00 H +ATOM 2444 CG LEU 159 28.220 35.850 40.630 1.00 0.00 C +ATOM 2445 HG LEU 159 27.190 36.100 40.300 1.00 0.00 H +ATOM 2446 CD1 LEU 159 28.220 35.740 42.190 1.00 0.00 C +ATOM 2447 1HD1 LEU 159 29.272 35.560 42.500 1.00 0.00 H +ATOM 2448 2HD1 LEU 159 27.870 36.702 42.620 1.00 0.00 H +ATOM 2449 3HD1 LEU 159 27.540 34.910 42.480 1.00 0.00 H +ATOM 2450 CD2 LEU 159 29.260 36.860 40.140 1.00 0.00 C +ATOM 2451 1HD2 LEU 159 30.338 36.610 40.240 1.00 0.00 H +ATOM 2452 2HD2 LEU 159 29.090 37.270 39.122 1.00 0.00 H +ATOM 2453 3HD2 LEU 159 29.080 37.798 40.708 1.00 0.00 H +ATOM 2454 C LEU 159 28.450 32.920 38.000 1.00 0.00 C +ATOM 2455 O LEU 159 27.560 32.170 38.380 1.00 0.00 O +ATOM 2456 N THR 160 29.520 32.440 37.290 1.00 0.00 N +ATOM 2457 HN THR 160 30.318 33.010 37.110 1.00 0.00 H +ATOM 2458 CA THR 160 29.600 31.020 36.820 1.00 0.00 C +ATOM 2459 HA THR 160 29.302 30.354 37.616 1.00 0.00 H +ATOM 2460 CB THR 160 28.740 30.750 35.570 1.00 0.00 C +ATOM 2461 HB THR 160 27.690 31.000 35.830 1.00 0.00 H +ATOM 2462 OG1 THR 160 28.640 29.280 35.340 1.00 0.00 O +ATOM 2463 HG1 THR 160 28.380 28.940 36.200 1.00 0.00 H +ATOM 2464 CG2 THR 160 29.150 31.440 34.300 1.00 0.00 C +ATOM 2465 1HG2 THR 160 30.100 30.990 33.940 1.00 0.00 H +ATOM 2466 2HG2 THR 160 28.412 31.240 33.492 1.00 0.00 H +ATOM 2467 3HG2 THR 160 29.370 32.520 34.430 1.00 0.00 H +ATOM 2468 C THR 160 30.970 30.500 36.500 1.00 0.00 C +ATOM 2469 O THR 160 31.870 31.240 36.150 1.00 0.00 O +ATOM 2470 N ILE 161 31.190 29.190 36.770 1.00 0.00 N +ATOM 2471 HN ILE 161 30.490 28.510 36.980 1.00 0.00 H +ATOM 2472 CA ILE 161 32.470 28.610 36.340 1.00 0.00 C +ATOM 2473 HA ILE 161 33.182 29.412 36.210 1.00 0.00 H +ATOM 2474 CB ILE 161 32.960 27.460 37.250 1.00 0.00 C +ATOM 2475 HB ILE 161 33.762 26.868 36.758 1.00 0.00 H +ATOM 2476 CG2 ILE 161 33.730 28.110 38.450 1.00 0.00 C +ATOM 2477 1HG2 ILE 161 34.492 28.802 38.030 1.00 0.00 H +ATOM 2478 2HG2 ILE 161 33.058 28.672 39.132 1.00 0.00 H +ATOM 2479 3HG2 ILE 161 34.326 27.264 38.858 1.00 0.00 H +ATOM 2480 CG1 ILE 161 31.840 26.430 37.720 1.00 0.00 C +ATOM 2481 1HG1 ILE 161 31.470 26.930 38.640 1.00 0.00 H +ATOM 2482 2HG1 ILE 161 31.116 26.250 36.896 1.00 0.00 H +ATOM 2483 CD ILE 161 32.530 25.110 38.140 1.00 0.00 C +ATOM 2484 HD1 ILE 161 31.852 24.232 38.180 1.00 0.00 H +ATOM 2485 HD2 ILE 161 33.250 24.870 37.330 1.00 0.00 H +ATOM 2486 HD3 ILE 161 33.058 25.170 39.116 1.00 0.00 H +ATOM 2487 C ILE 161 32.490 27.960 34.950 1.00 0.00 C +ATOM 2488 O ILE 161 31.490 27.360 34.500 1.00 0.00 O +ATOM 2489 N GLY 162 33.680 27.980 34.360 1.00 0.00 N +ATOM 2490 HN GLY 162 34.470 28.430 34.770 1.00 0.00 H +ATOM 2491 CA GLY 162 33.770 27.330 33.040 1.00 0.00 C +ATOM 2492 HA1 GLY 162 32.780 27.300 32.610 1.00 0.00 H +ATOM 2493 HA2 GLY 162 34.542 27.822 32.468 1.00 0.00 H +ATOM 2494 C GLY 162 34.210 25.820 33.170 1.00 0.00 C +ATOM 2495 O GLY 162 34.220 25.330 34.290 1.00 0.00 O +ATOM 2496 N PRO 163 34.430 25.050 32.140 1.00 0.00 N +ATOM 2497 CD PRO 163 33.710 25.340 30.870 1.00 0.00 C +ATOM 2498 HD1 PRO 163 34.138 26.276 30.452 1.00 0.00 H +ATOM 2499 HD2 PRO 163 32.618 25.480 31.020 1.00 0.00 H +ATOM 2500 CA PRO 163 35.110 23.750 32.070 1.00 0.00 C +ATOM 2501 HA PRO 163 34.444 23.104 32.626 1.00 0.00 H +ATOM 2502 CB PRO 163 35.210 23.500 30.570 1.00 0.00 C +ATOM 2503 HB1 PRO 163 36.032 24.064 30.076 1.00 0.00 H +ATOM 2504 HB2 PRO 163 35.360 22.408 30.440 1.00 0.00 H +ATOM 2505 CG PRO 163 33.960 24.130 30.020 1.00 0.00 C +ATOM 2506 HG1 PRO 163 34.100 24.340 28.938 1.00 0.00 H +ATOM 2507 HG2 PRO 163 33.140 23.380 30.050 1.00 0.00 H +ATOM 2508 C PRO 163 36.340 23.540 32.910 1.00 0.00 C +ATOM 2509 O PRO 163 36.450 22.520 33.590 1.00 0.00 O +ATOM 2510 N ALA 164 37.320 24.480 32.910 1.00 0.00 N +ATOM 2511 HN ALA 164 37.240 25.344 32.418 1.00 0.00 H +ATOM 2512 CA ALA 164 38.410 24.400 33.870 1.00 0.00 C +ATOM 2513 HA ALA 164 39.000 23.500 33.770 1.00 0.00 H +ATOM 2514 CB ALA 164 39.330 25.680 33.530 1.00 0.00 C +ATOM 2515 HB1 ALA 164 40.290 25.650 34.090 1.00 0.00 H +ATOM 2516 HB2 ALA 164 39.502 25.680 32.434 1.00 0.00 H +ATOM 2517 HB3 ALA 164 38.792 26.616 33.798 1.00 0.00 H +ATOM 2518 C ALA 164 38.000 24.330 35.360 1.00 0.00 C +ATOM 2519 O ALA 164 38.600 23.620 36.140 1.00 0.00 O +ATOM 2520 N GLY 165 36.900 25.040 35.780 1.00 0.00 N +ATOM 2521 HN GLY 165 36.414 25.636 35.144 1.00 0.00 H +ATOM 2522 CA GLY 165 36.460 24.880 37.170 1.00 0.00 C +ATOM 2523 HA1 GLY 165 37.304 24.900 37.846 1.00 0.00 H +ATOM 2524 HA2 GLY 165 35.730 25.640 37.400 1.00 0.00 H +ATOM 2525 C GLY 165 35.740 23.600 37.420 1.00 0.00 C +ATOM 2526 O GLY 165 35.860 22.950 38.460 1.00 0.00 O +ATOM 2527 N GLU 166 35.080 23.130 36.390 1.00 0.00 N +ATOM 2528 HN GLU 166 35.010 23.668 35.554 1.00 0.00 H +ATOM 2529 CA GLU 166 34.440 21.790 36.410 1.00 0.00 C +ATOM 2530 HA GLU 166 33.722 21.800 37.218 1.00 0.00 H +ATOM 2531 CB GLU 166 33.590 21.550 35.120 1.00 0.00 C +ATOM 2532 HB1 GLU 166 34.210 21.860 34.250 1.00 0.00 H +ATOM 2533 HB2 GLU 166 33.350 20.466 35.140 1.00 0.00 H +ATOM 2534 CG GLU 166 32.390 22.500 34.920 1.00 0.00 C +ATOM 2535 HG1 GLU 166 31.622 22.160 35.648 1.00 0.00 H +ATOM 2536 HG2 GLU 166 32.580 23.590 35.030 1.00 0.00 H +ATOM 2537 CD GLU 166 31.730 22.350 33.560 1.00 0.00 C +ATOM 2538 OE1 GLU 166 30.740 23.140 33.300 1.00 0.00 O +ATOM 2539 OE2 GLU 166 32.110 21.460 32.840 1.00 0.00 O +ATOM 2540 C GLU 166 35.420 20.650 36.610 1.00 0.00 C +ATOM 2541 O GLU 166 35.230 19.770 37.440 1.00 0.00 O +ATOM 2542 N ASN 167 36.530 20.710 35.820 1.00 0.00 N +ATOM 2543 HN ASN 167 36.570 21.520 35.240 1.00 0.00 H +ATOM 2544 CA ASN 167 37.580 19.840 35.880 1.00 0.00 C +ATOM 2545 HA ASN 167 37.228 18.846 36.112 1.00 0.00 H +ATOM 2546 CB ASN 167 38.210 19.850 34.500 1.00 0.00 C +ATOM 2547 HB1 ASN 167 38.410 20.898 34.190 1.00 0.00 H +ATOM 2548 HB2 ASN 167 39.180 19.320 34.390 1.00 0.00 H +ATOM 2549 CG ASN 167 37.260 19.100 33.500 1.00 0.00 C +ATOM 2550 OD1 ASN 167 37.020 17.910 33.520 1.00 0.00 O +ATOM 2551 ND2 ASN 167 36.680 19.930 32.630 1.00 0.00 N +ATOM 2552 1HD2 ASN 167 36.988 20.876 32.530 1.00 0.00 H +ATOM 2553 2HD2 ASN 167 36.078 19.428 32.008 1.00 0.00 H +ATOM 2554 C ASN 167 38.710 20.280 36.900 1.00 0.00 C +ATOM 2555 O ASN 167 39.730 19.570 36.970 1.00 0.00 O +ATOM 2556 N LEU 168 38.440 21.350 37.730 1.00 0.00 N +ATOM 2557 HN LEU 168 37.572 21.798 37.530 1.00 0.00 H +ATOM 2558 CA LEU 168 39.120 21.490 39.010 1.00 0.00 C +ATOM 2559 HA LEU 168 38.492 22.228 39.488 1.00 0.00 H +ATOM 2560 CB LEU 168 39.090 20.370 40.010 1.00 0.00 C +ATOM 2561 HB1 LEU 168 39.844 19.596 39.748 1.00 0.00 H +ATOM 2562 HB2 LEU 168 39.430 20.510 41.058 1.00 0.00 H +ATOM 2563 CG LEU 168 37.740 19.620 40.160 1.00 0.00 C +ATOM 2564 HG LEU 168 37.372 19.392 39.136 1.00 0.00 H +ATOM 2565 CD1 LEU 168 37.810 18.380 40.960 1.00 0.00 C +ATOM 2566 1HD1 LEU 168 36.806 18.012 41.268 1.00 0.00 H +ATOM 2567 2HD1 LEU 168 38.302 17.628 40.308 1.00 0.00 H +ATOM 2568 3HD1 LEU 168 38.302 18.430 41.954 1.00 0.00 H +ATOM 2569 CD2 LEU 168 36.630 20.480 40.690 1.00 0.00 C +ATOM 2570 1HD2 LEU 168 35.702 19.882 40.560 1.00 0.00 H +ATOM 2571 2HD2 LEU 168 36.860 20.820 41.722 1.00 0.00 H +ATOM 2572 3HD2 LEU 168 36.520 21.376 40.042 1.00 0.00 H +ATOM 2573 C LEU 168 40.540 22.020 38.850 1.00 0.00 C +ATOM 2574 O LEU 168 41.400 21.790 39.730 1.00 0.00 O +ATOM 2575 N VAL 169 40.830 22.720 37.770 1.00 0.00 N +ATOM 2576 HN VAL 169 40.064 22.790 37.134 1.00 0.00 H +ATOM 2577 CA VAL 169 42.110 23.380 37.500 1.00 0.00 C +ATOM 2578 HA VAL 169 42.918 22.662 37.490 1.00 0.00 H +ATOM 2579 CB VAL 169 42.040 24.110 36.090 1.00 0.00 C +ATOM 2580 HB VAL 169 41.206 24.844 36.140 1.00 0.00 H +ATOM 2581 CG1 VAL 169 43.290 24.870 35.860 1.00 0.00 C +ATOM 2582 1HG1 VAL 169 44.210 24.260 35.980 1.00 0.00 H +ATOM 2583 2HG1 VAL 169 43.260 25.382 34.876 1.00 0.00 H +ATOM 2584 3HG1 VAL 169 43.330 25.630 36.670 1.00 0.00 H +ATOM 2585 CG2 VAL 169 41.730 23.150 34.940 1.00 0.00 C +ATOM 2586 1HG2 VAL 169 41.530 23.722 34.008 1.00 0.00 H +ATOM 2587 2HG2 VAL 169 42.520 22.380 34.810 1.00 0.00 H +ATOM 2588 3HG2 VAL 169 40.828 22.538 35.150 1.00 0.00 H +ATOM 2589 C VAL 169 42.500 24.350 38.640 1.00 0.00 C +ATOM 2590 O VAL 169 41.670 25.160 39.000 1.00 0.00 O +ATOM 2591 N LYS 170 43.740 24.250 39.200 1.00 0.00 N +ATOM 2592 HN LYS 170 44.432 23.668 38.778 1.00 0.00 H +ATOM 2593 CA LYS 170 43.960 24.900 40.430 1.00 0.00 C +ATOM 2594 HA LYS 170 43.200 24.560 41.120 1.00 0.00 H +ATOM 2595 CB LYS 170 45.280 24.410 40.970 1.00 0.00 C +ATOM 2596 HB1 LYS 170 46.058 24.500 40.182 1.00 0.00 H +ATOM 2597 HB2 LYS 170 45.552 24.962 41.894 1.00 0.00 H +ATOM 2598 CG LYS 170 45.270 22.870 41.280 1.00 0.00 C +ATOM 2599 HG1 LYS 170 44.876 22.256 40.444 1.00 0.00 H +ATOM 2600 HG2 LYS 170 46.270 22.560 41.650 1.00 0.00 H +ATOM 2601 CD LYS 170 44.350 22.590 42.570 1.00 0.00 C +ATOM 2602 HD1 LYS 170 44.710 23.120 43.478 1.00 0.00 H +ATOM 2603 HD2 LYS 170 43.282 22.860 42.420 1.00 0.00 H +ATOM 2604 CE LYS 170 44.410 21.070 43.000 1.00 0.00 C +ATOM 2605 HE1 LYS 170 43.772 20.920 43.898 1.00 0.00 H +ATOM 2606 HE2 LYS 170 44.038 20.438 42.166 1.00 0.00 H +ATOM 2607 NZ LYS 170 45.730 20.630 43.370 1.00 0.00 N +ATOM 2608 HZ1 LYS 170 45.690 19.926 44.134 1.00 0.00 H +ATOM 2609 HZ2 LYS 170 46.240 20.140 42.608 1.00 0.00 H +ATOM 2610 HZ3 LYS 170 46.240 21.500 43.630 1.00 0.00 H +ATOM 2611 C LYS 170 43.840 26.390 40.340 1.00 0.00 C +ATOM 2612 O LYS 170 43.580 27.020 41.350 1.00 0.00 O +ATOM 2613 N TYR 171 44.010 26.920 39.190 1.00 0.00 N +ATOM 2614 HN TYR 171 44.260 26.380 38.390 1.00 0.00 H +ATOM 2615 CA TYR 171 43.880 28.310 38.970 1.00 0.00 C +ATOM 2616 HA TYR 171 43.830 28.860 39.898 1.00 0.00 H +ATOM 2617 CB TYR 171 45.150 28.830 38.290 1.00 0.00 C +ATOM 2618 HB1 TYR 171 44.990 29.834 37.842 1.00 0.00 H +ATOM 2619 HB2 TYR 171 45.956 29.000 39.036 1.00 0.00 H +ATOM 2620 CG TYR 171 45.570 27.980 37.070 1.00 0.00 C +ATOM 2621 CD1 TYR 171 46.550 27.060 37.200 1.00 0.00 C +ATOM 2622 HD1 TYR 171 46.942 26.770 38.164 1.00 0.00 H +ATOM 2623 CE1 TYR 171 47.190 26.530 36.010 1.00 0.00 C +ATOM 2624 HE1 TYR 171 48.062 25.908 36.150 1.00 0.00 H +ATOM 2625 CZ TYR 171 46.780 26.930 34.730 1.00 0.00 C +ATOM 2626 OH TYR 171 47.510 26.420 33.620 1.00 0.00 O +ATOM 2627 HH TYR 171 47.972 25.616 33.870 1.00 0.00 H +ATOM 2628 CD2 TYR 171 45.150 28.310 35.740 1.00 0.00 C +ATOM 2629 HD2 TYR 171 44.288 28.962 35.750 1.00 0.00 H +ATOM 2630 CE2 TYR 171 45.620 27.660 34.600 1.00 0.00 C +ATOM 2631 HE2 TYR 171 45.240 27.870 33.610 1.00 0.00 H +ATOM 2632 C TYR 171 42.580 28.660 38.270 1.00 0.00 C +ATOM 2633 O TYR 171 42.440 29.670 37.590 1.00 0.00 O +ATOM 2634 N ALA 172 41.550 27.800 38.330 1.00 0.00 N +ATOM 2635 HN ALA 172 41.630 26.866 38.672 1.00 0.00 H +ATOM 2636 CA ALA 172 40.270 28.160 37.950 1.00 0.00 C +ATOM 2637 HA ALA 172 40.420 28.610 36.980 1.00 0.00 H +ATOM 2638 CB ALA 172 39.340 26.930 37.720 1.00 0.00 C +ATOM 2639 HB1 ALA 172 39.758 26.342 36.874 1.00 0.00 H +ATOM 2640 HB2 ALA 172 39.330 26.258 38.604 1.00 0.00 H +ATOM 2641 HB3 ALA 172 38.312 27.250 37.440 1.00 0.00 H +ATOM 2642 C ALA 172 39.620 29.320 38.700 1.00 0.00 C +ATOM 2643 O ALA 172 39.720 29.540 39.930 1.00 0.00 O +ATOM 2644 N VAL 173 38.780 30.140 37.940 1.00 0.00 N +ATOM 2645 HN VAL 173 38.680 30.000 36.958 1.00 0.00 H +ATOM 2646 CA VAL 173 38.100 31.350 38.340 1.00 0.00 C +ATOM 2647 HA VAL 173 38.240 31.330 39.410 1.00 0.00 H +ATOM 2648 CB VAL 173 38.720 32.650 37.830 1.00 0.00 C +ATOM 2649 HB VAL 173 38.332 33.608 38.238 1.00 0.00 H +ATOM 2650 CG1 VAL 173 40.180 32.620 38.280 1.00 0.00 C +ATOM 2651 1HG1 VAL 173 40.796 31.904 37.694 1.00 0.00 H +ATOM 2652 2HG1 VAL 173 40.612 33.644 38.300 1.00 0.00 H +ATOM 2653 3HG1 VAL 173 40.200 32.230 39.320 1.00 0.00 H +ATOM 2654 CG2 VAL 173 38.660 32.800 36.240 1.00 0.00 C +ATOM 2655 1HG2 VAL 173 39.388 33.578 35.922 1.00 0.00 H +ATOM 2656 2HG2 VAL 173 38.950 31.788 35.890 1.00 0.00 H +ATOM 2657 3HG2 VAL 173 37.640 33.080 35.900 1.00 0.00 H +ATOM 2658 C VAL 173 36.640 31.360 38.140 1.00 0.00 C +ATOM 2659 O VAL 173 36.120 30.480 37.430 1.00 0.00 O +ATOM 2660 N VAL 174 35.860 32.310 38.760 1.00 0.00 N +ATOM 2661 HN VAL 174 36.380 32.790 39.462 1.00 0.00 H +ATOM 2662 CA VAL 174 34.430 32.580 38.490 1.00 0.00 C +ATOM 2663 HA VAL 174 33.932 31.672 38.180 1.00 0.00 H +ATOM 2664 CB VAL 174 33.710 33.060 39.760 1.00 0.00 C +ATOM 2665 HB VAL 174 33.970 34.082 40.110 1.00 0.00 H +ATOM 2666 CG1 VAL 174 32.200 33.000 39.630 1.00 0.00 C +ATOM 2667 1HG1 VAL 174 31.900 33.660 38.788 1.00 0.00 H +ATOM 2668 2HG1 VAL 174 31.820 31.958 39.560 1.00 0.00 H +ATOM 2669 3HG1 VAL 174 31.770 33.540 40.500 1.00 0.00 H +ATOM 2670 CG2 VAL 174 34.120 31.930 40.770 1.00 0.00 C +ATOM 2671 1HG2 VAL 174 33.448 32.070 41.644 1.00 0.00 H +ATOM 2672 2HG2 VAL 174 34.040 30.886 40.398 1.00 0.00 H +ATOM 2673 3HG2 VAL 174 35.150 32.040 41.170 1.00 0.00 H +ATOM 2674 C VAL 174 34.420 33.700 37.500 1.00 0.00 C +ATOM 2675 O VAL 174 35.180 34.660 37.490 1.00 0.00 O +ATOM 2676 N ILE 175 33.450 33.650 36.620 1.00 0.00 N +ATOM 2677 HN ILE 175 32.702 33.002 36.740 1.00 0.00 H +ATOM 2678 CA ILE 175 33.280 34.480 35.440 1.00 0.00 C +ATOM 2679 HA ILE 175 34.016 35.266 35.500 1.00 0.00 H +ATOM 2680 CB ILE 175 33.610 33.750 34.150 1.00 0.00 C +ATOM 2681 HB ILE 175 33.130 32.750 34.200 1.00 0.00 H +ATOM 2682 CG2 ILE 175 33.030 34.480 32.930 1.00 0.00 C +ATOM 2683 1HG2 ILE 175 33.462 33.898 32.088 1.00 0.00 H +ATOM 2684 2HG2 ILE 175 31.924 34.420 32.840 1.00 0.00 H +ATOM 2685 3HG2 ILE 175 33.390 35.528 32.860 1.00 0.00 H +ATOM 2686 CG1 ILE 175 35.130 33.460 34.080 1.00 0.00 C +ATOM 2687 1HG1 ILE 175 35.500 33.310 35.118 1.00 0.00 H +ATOM 2688 2HG1 ILE 175 35.210 32.458 33.608 1.00 0.00 H +ATOM 2689 CD ILE 175 36.080 34.430 33.440 1.00 0.00 C +ATOM 2690 HD1 ILE 175 37.174 34.330 33.610 1.00 0.00 H +ATOM 2691 HD2 ILE 175 36.080 34.270 32.340 1.00 0.00 H +ATOM 2692 HD3 ILE 175 35.732 35.476 33.580 1.00 0.00 H +ATOM 2693 C ILE 175 31.890 35.040 35.520 1.00 0.00 C +ATOM 2694 O ILE 175 30.960 34.400 36.070 1.00 0.00 O +ATOM 2695 N SER 176 31.720 36.300 35.150 1.00 0.00 N +ATOM 2696 HN SER 176 32.516 36.764 34.768 1.00 0.00 H +ATOM 2697 CA SER 176 30.630 37.150 34.970 1.00 0.00 C +ATOM 2698 HA SER 176 29.712 36.582 35.010 1.00 0.00 H +ATOM 2699 CB SER 176 30.500 38.200 36.130 1.00 0.00 C +ATOM 2700 HB1 SER 176 30.620 37.612 37.066 1.00 0.00 H +ATOM 2701 HB2 SER 176 31.270 39.000 36.090 1.00 0.00 H +ATOM 2702 OG SER 176 29.150 38.820 36.120 1.00 0.00 O +ATOM 2703 HG1 SER 176 28.640 38.130 36.550 1.00 0.00 H +ATOM 2704 C SER 176 30.690 37.900 33.640 1.00 0.00 C +ATOM 2705 O SER 176 31.760 37.860 32.990 1.00 0.00 O +ATOM 2706 N GLN 177 29.620 38.680 33.270 1.00 0.00 N +ATOM 2707 HN GLN 177 28.946 38.690 34.004 1.00 0.00 H +ATOM 2708 CA GLN 177 29.520 39.670 32.200 1.00 0.00 C +ATOM 2709 HA GLN 177 28.490 39.530 31.910 1.00 0.00 H +ATOM 2710 CB GLN 177 29.620 41.170 32.560 1.00 0.00 C +ATOM 2711 HB1 GLN 177 30.596 41.210 33.088 1.00 0.00 H +ATOM 2712 HB2 GLN 177 29.570 41.802 31.648 1.00 0.00 H +ATOM 2713 CG GLN 177 28.590 41.510 33.700 1.00 0.00 C +ATOM 2714 HG1 GLN 177 27.540 41.210 33.490 1.00 0.00 H +ATOM 2715 HG2 GLN 177 28.972 40.868 34.522 1.00 0.00 H +ATOM 2716 CD GLN 177 28.550 42.930 34.200 1.00 0.00 C +ATOM 2717 OE1 GLN 177 28.090 43.210 35.310 1.00 0.00 O +ATOM 2718 NE2 GLN 177 29.030 43.870 33.400 1.00 0.00 N +ATOM 2719 1HE2 GLN 177 29.160 43.682 32.426 1.00 0.00 H +ATOM 2720 2HE2 GLN 177 28.748 44.806 33.612 1.00 0.00 H +ATOM 2721 C GLN 177 30.320 39.350 30.930 1.00 0.00 C +ATOM 2722 O GLN 177 31.110 40.190 30.420 1.00 0.00 O +ATOM 2723 N GLU 178 30.230 38.050 30.400 1.00 0.00 N +ATOM 2724 HN GLU 178 29.594 37.434 30.858 1.00 0.00 H +ATOM 2725 CA GLU 178 31.110 37.450 29.350 1.00 0.00 C +ATOM 2726 HA GLU 178 31.120 36.394 29.572 1.00 0.00 H +ATOM 2727 CB GLU 178 30.490 37.610 27.960 1.00 0.00 C +ATOM 2728 HB1 GLU 178 30.470 38.718 27.870 1.00 0.00 H +ATOM 2729 HB2 GLU 178 31.214 37.278 27.186 1.00 0.00 H +ATOM 2730 CG GLU 178 29.100 36.880 27.760 1.00 0.00 C +ATOM 2731 HG1 GLU 178 29.180 35.772 27.780 1.00 0.00 H +ATOM 2732 HG2 GLU 178 28.422 37.080 28.618 1.00 0.00 H +ATOM 2733 CD GLU 178 28.320 37.350 26.550 1.00 0.00 C +ATOM 2734 OE1 GLU 178 27.120 37.030 26.550 1.00 0.00 O +ATOM 2735 OE2 GLU 178 28.820 38.080 25.660 1.00 0.00 O +ATOM 2736 C GLU 178 32.620 38.010 29.300 1.00 0.00 C +ATOM 2737 O GLU 178 33.020 38.710 28.350 1.00 0.00 O +ATOM 2738 N GLY 179 33.430 37.750 30.300 1.00 0.00 N +ATOM 2739 HN GLY 179 33.110 37.178 31.052 1.00 0.00 H +ATOM 2740 CA GLY 179 34.910 38.070 30.390 1.00 0.00 C +ATOM 2741 HA1 GLY 179 35.562 37.208 30.400 1.00 0.00 H +ATOM 2742 HA2 GLY 179 35.130 38.832 29.658 1.00 0.00 H +ATOM 2743 C GLY 179 35.310 38.730 31.670 1.00 0.00 C +ATOM 2744 O GLY 179 36.520 38.990 31.900 1.00 0.00 O +ATOM 2745 N ARG 180 34.380 39.150 32.540 1.00 0.00 N +ATOM 2746 HN ARG 180 33.408 39.030 32.350 1.00 0.00 H +ATOM 2747 CA ARG 180 34.750 39.570 33.840 1.00 0.00 C +ATOM 2748 HA ARG 180 35.662 40.140 33.740 1.00 0.00 H +ATOM 2749 CB ARG 180 33.660 40.480 34.530 1.00 0.00 C +ATOM 2750 HB1 ARG 180 32.730 39.870 34.520 1.00 0.00 H +ATOM 2751 HB2 ARG 180 33.932 40.700 35.584 1.00 0.00 H +ATOM 2752 CG ARG 180 33.260 41.770 33.720 1.00 0.00 C +ATOM 2753 HG1 ARG 180 33.040 41.450 32.680 1.00 0.00 H +ATOM 2754 HG2 ARG 180 32.380 42.270 34.180 1.00 0.00 H +ATOM 2755 CD ARG 180 34.300 42.820 33.590 1.00 0.00 C +ATOM 2756 HD1 ARG 180 34.662 43.232 34.556 1.00 0.00 H +ATOM 2757 HD2 ARG 180 35.100 42.360 32.970 1.00 0.00 H +ATOM 2758 NE ARG 180 33.640 43.980 32.890 1.00 0.00 N +ATOM 2759 HE ARG 180 32.700 43.870 32.570 1.00 0.00 H +ATOM 2760 CZ ARG 180 34.310 44.670 32.000 1.00 0.00 C +ATOM 2761 NH1 ARG 180 35.610 44.730 32.020 1.00 0.00 N +ATOM 2762 1HH1 ARG 180 36.188 44.272 32.696 1.00 0.00 H +ATOM 2763 2HH1 ARG 180 36.050 44.720 31.122 1.00 0.00 H +ATOM 2764 NH2 ARG 180 33.740 45.010 30.880 1.00 0.00 N +ATOM 2765 1HH2 ARG 180 32.924 44.452 30.730 1.00 0.00 H +ATOM 2766 2HH2 ARG 180 34.350 44.780 30.120 1.00 0.00 H +ATOM 2767 C ARG 180 35.130 38.430 34.830 1.00 0.00 C +ATOM 2768 O ARG 180 34.320 37.620 35.190 1.00 0.00 O +ATOM 2769 N ALA 181 36.390 38.300 35.220 1.00 0.00 N +ATOM 2770 HN ALA 181 37.108 38.878 34.840 1.00 0.00 H +ATOM 2771 CA ALA 181 36.850 37.180 36.030 1.00 0.00 C +ATOM 2772 HA ALA 181 36.092 36.412 36.100 1.00 0.00 H +ATOM 2773 CB ALA 181 38.110 36.580 35.390 1.00 0.00 C +ATOM 2774 HB1 ALA 181 38.954 37.244 35.108 1.00 0.00 H +ATOM 2775 HB2 ALA 181 38.478 35.732 36.008 1.00 0.00 H +ATOM 2776 HB3 ALA 181 37.830 36.140 34.410 1.00 0.00 H +ATOM 2777 C ALA 181 37.210 37.600 37.450 1.00 0.00 C +ATOM 2778 O ALA 181 37.770 38.670 37.750 1.00 0.00 O +ATOM 2779 N ALA 182 36.850 36.700 38.370 1.00 0.00 N +ATOM 2780 HN ALA 182 36.160 36.020 38.130 1.00 0.00 H +ATOM 2781 CA ALA 182 37.230 36.720 39.720 1.00 0.00 C +ATOM 2782 HA ALA 182 37.330 37.740 40.060 1.00 0.00 H +ATOM 2783 CB ALA 182 36.210 35.970 40.570 1.00 0.00 C +ATOM 2784 HB1 ALA 182 35.268 36.542 40.430 1.00 0.00 H +ATOM 2785 HB2 ALA 182 36.120 34.878 40.390 1.00 0.00 H +ATOM 2786 HB3 ALA 182 36.582 36.050 41.614 1.00 0.00 H +ATOM 2787 C ALA 182 38.600 36.100 39.930 1.00 0.00 C +ATOM 2788 O ALA 182 38.680 34.990 40.420 1.00 0.00 O +ATOM 2789 N GLY 183 39.670 36.800 39.530 1.00 0.00 N +ATOM 2790 HN GLY 183 39.460 37.680 39.110 1.00 0.00 H +ATOM 2791 CA GLY 183 41.010 36.280 39.500 1.00 0.00 C +ATOM 2792 HA1 GLY 183 41.140 35.750 38.568 1.00 0.00 H +ATOM 2793 HA2 GLY 183 41.688 37.118 39.420 1.00 0.00 H +ATOM 2794 C GLY 183 41.490 35.520 40.710 1.00 0.00 C +ATOM 2795 O GLY 183 41.240 35.900 41.800 1.00 0.00 O +ATOM 2796 N ARG 184 42.400 34.590 40.370 1.00 0.00 N +ATOM 2797 HN ARG 184 42.480 34.500 39.380 1.00 0.00 H +ATOM 2798 CA ARG 184 43.520 34.090 41.140 1.00 0.00 C +ATOM 2799 HA ARG 184 43.580 33.056 40.838 1.00 0.00 H +ATOM 2800 CB ARG 184 44.860 34.750 40.610 1.00 0.00 C +ATOM 2801 HB1 ARG 184 45.660 34.740 41.380 1.00 0.00 H +ATOM 2802 HB2 ARG 184 45.330 34.080 39.860 1.00 0.00 H +ATOM 2803 CG ARG 184 44.740 36.170 39.960 1.00 0.00 C +ATOM 2804 HG1 ARG 184 44.186 35.998 39.014 1.00 0.00 H +ATOM 2805 HG2 ARG 184 44.032 36.858 40.468 1.00 0.00 H +ATOM 2806 CD ARG 184 46.080 36.850 39.660 1.00 0.00 C +ATOM 2807 HD1 ARG 184 46.140 37.782 39.058 1.00 0.00 H +ATOM 2808 HD2 ARG 184 46.480 37.020 40.682 1.00 0.00 H +ATOM 2809 NE ARG 184 46.920 35.920 38.860 1.00 0.00 N +ATOM 2810 HE ARG 184 46.422 35.332 38.222 1.00 0.00 H +ATOM 2811 CZ ARG 184 48.230 35.850 38.960 1.00 0.00 C +ATOM 2812 NH1 ARG 184 48.830 36.850 39.490 1.00 0.00 N +ATOM 2813 1HH1 ARG 184 48.250 37.622 39.750 1.00 0.00 H +ATOM 2814 2HH1 ARG 184 49.808 36.720 39.660 1.00 0.00 H +ATOM 2815 NH2 ARG 184 48.900 34.780 38.620 1.00 0.00 N +ATOM 2816 1HH2 ARG 184 48.374 33.996 38.292 1.00 0.00 H +ATOM 2817 2HH2 ARG 184 49.862 34.770 38.890 1.00 0.00 H +ATOM 2818 C ARG 184 43.590 34.310 42.680 1.00 0.00 C +ATOM 2819 O ARG 184 43.830 35.390 43.110 1.00 0.00 O +ATOM 2820 N PRO 185 43.370 33.290 43.560 1.00 0.00 N +ATOM 2821 CD PRO 185 43.580 33.560 44.990 1.00 0.00 C +ATOM 2822 HD1 PRO 185 42.684 33.282 45.586 1.00 0.00 H +ATOM 2823 HD2 PRO 185 43.920 34.588 45.240 1.00 0.00 H +ATOM 2824 CA PRO 185 43.950 31.970 43.330 1.00 0.00 C +ATOM 2825 HA PRO 185 44.170 31.860 42.278 1.00 0.00 H +ATOM 2826 CB PRO 185 45.230 31.910 44.180 1.00 0.00 C +ATOM 2827 HB1 PRO 185 45.580 30.880 44.410 1.00 0.00 H +ATOM 2828 HB2 PRO 185 46.144 32.422 43.808 1.00 0.00 H +ATOM 2829 CG PRO 185 44.760 32.630 45.470 1.00 0.00 C +ATOM 2830 HG1 PRO 185 44.300 32.040 46.290 1.00 0.00 H +ATOM 2831 HG2 PRO 185 45.624 33.236 45.818 1.00 0.00 H +ATOM 2832 C PRO 185 42.840 30.930 43.600 1.00 0.00 C +ATOM 2833 O PRO 185 42.650 30.490 44.780 1.00 0.00 O +ATOM 2834 N GLY 186 42.180 30.470 42.500 1.00 0.00 N +ATOM 2835 HN GLY 186 42.270 30.906 41.608 1.00 0.00 H +ATOM 2836 CA GLY 186 41.520 29.180 42.530 1.00 0.00 C +ATOM 2837 HA1 GLY 186 41.590 28.810 41.518 1.00 0.00 H +ATOM 2838 HA2 GLY 186 42.082 28.508 43.162 1.00 0.00 H +ATOM 2839 C GLY 186 40.070 28.980 42.900 1.00 0.00 C +ATOM 2840 O GLY 186 39.570 27.890 43.040 1.00 0.00 O +ATOM 2841 N MET 187 39.320 30.080 42.930 1.00 0.00 N +ATOM 2842 HN MET 187 39.784 30.958 42.850 1.00 0.00 H +ATOM 2843 CA MET 187 37.960 30.120 43.410 1.00 0.00 C +ATOM 2844 HA MET 187 38.070 29.562 44.328 1.00 0.00 H +ATOM 2845 CB MET 187 37.340 31.490 43.780 1.00 0.00 C +ATOM 2846 HB1 MET 187 37.360 32.180 42.910 1.00 0.00 H +ATOM 2847 HB2 MET 187 36.262 31.348 44.002 1.00 0.00 H +ATOM 2848 CG MET 187 37.900 32.130 45.080 1.00 0.00 C +ATOM 2849 HG1 MET 187 37.314 33.044 45.318 1.00 0.00 H +ATOM 2850 HG2 MET 187 37.598 31.528 45.964 1.00 0.00 H +ATOM 2851 SD MET 187 39.650 32.640 45.150 1.00 0.00 S +ATOM 2852 CE MET 187 39.550 33.550 43.590 1.00 0.00 C +ATOM 2853 HE1 MET 187 38.714 34.266 43.440 1.00 0.00 H +ATOM 2854 HE2 MET 187 40.432 34.212 43.450 1.00 0.00 H +ATOM 2855 HE3 MET 187 39.350 32.802 42.792 1.00 0.00 H +ATOM 2856 C MET 187 36.990 29.240 42.500 1.00 0.00 C +ATOM 2857 O MET 187 35.980 28.760 42.920 1.00 0.00 O +ATOM 2858 N GLY 188 37.270 29.160 41.200 1.00 0.00 N +ATOM 2859 HN GLY 188 38.110 29.600 40.890 1.00 0.00 H +ATOM 2860 CA GLY 188 36.490 28.280 40.260 1.00 0.00 C +ATOM 2861 HA1 GLY 188 35.516 28.702 40.460 1.00 0.00 H +ATOM 2862 HA2 GLY 188 36.948 28.530 39.314 1.00 0.00 H +ATOM 2863 C GLY 188 36.690 26.780 40.530 1.00 0.00 C +ATOM 2864 O GLY 188 35.820 25.970 40.370 1.00 0.00 O +ATOM 2865 N ALA 189 37.900 26.450 41.080 1.00 0.00 N +ATOM 2866 HN ALA 189 38.622 27.112 41.270 1.00 0.00 H +ATOM 2867 CA ALA 189 38.150 25.120 41.570 1.00 0.00 C +ATOM 2868 HA ALA 189 37.792 24.462 40.792 1.00 0.00 H +ATOM 2869 CB ALA 189 39.680 24.760 41.670 1.00 0.00 C +ATOM 2870 HB1 ALA 189 40.080 24.620 40.642 1.00 0.00 H +ATOM 2871 HB2 ALA 189 40.330 25.480 42.210 1.00 0.00 H +ATOM 2872 HB3 ALA 189 39.900 23.734 42.038 1.00 0.00 H +ATOM 2873 C ALA 189 37.400 24.840 42.900 1.00 0.00 C +ATOM 2874 O ALA 189 36.680 23.810 43.100 1.00 0.00 O +ATOM 2875 N VAL 190 37.530 25.770 43.880 1.00 0.00 N +ATOM 2876 HN VAL 190 38.050 26.600 43.690 1.00 0.00 H +ATOM 2877 CA VAL 190 36.710 25.750 45.050 1.00 0.00 C +ATOM 2878 HA VAL 190 36.920 24.850 45.610 1.00 0.00 H +ATOM 2879 CB VAL 190 36.950 26.970 45.910 1.00 0.00 C +ATOM 2880 HB VAL 190 36.642 27.914 45.412 1.00 0.00 H +ATOM 2881 CG1 VAL 190 36.210 26.800 47.220 1.00 0.00 C +ATOM 2882 1HG1 VAL 190 36.530 27.568 47.958 1.00 0.00 H +ATOM 2883 2HG1 VAL 190 35.136 27.080 47.170 1.00 0.00 H +ATOM 2884 3HG1 VAL 190 36.360 25.768 47.600 1.00 0.00 H +ATOM 2885 CG2 VAL 190 38.510 27.240 46.110 1.00 0.00 C +ATOM 2886 1HG2 VAL 190 39.020 26.262 46.240 1.00 0.00 H +ATOM 2887 2HG2 VAL 190 38.860 27.770 45.200 1.00 0.00 H +ATOM 2888 3HG2 VAL 190 38.750 27.842 47.012 1.00 0.00 H +ATOM 2889 C VAL 190 35.180 25.700 44.800 1.00 0.00 C +ATOM 2890 O VAL 190 34.530 24.780 45.280 1.00 0.00 O +ATOM 2891 N MET 191 34.670 26.510 43.930 1.00 0.00 N +ATOM 2892 HN MET 191 35.198 27.276 43.572 1.00 0.00 H +ATOM 2893 CA MET 191 33.290 26.360 43.320 1.00 0.00 C +ATOM 2894 HA MET 191 32.562 26.400 44.118 1.00 0.00 H +ATOM 2895 CB MET 191 33.100 27.480 42.330 1.00 0.00 C +ATOM 2896 HB1 MET 191 33.420 28.440 42.790 1.00 0.00 H +ATOM 2897 HB2 MET 191 33.716 27.460 41.406 1.00 0.00 H +ATOM 2898 CG MET 191 31.670 27.660 41.730 1.00 0.00 C +ATOM 2899 HG1 MET 191 31.610 26.900 40.922 1.00 0.00 H +ATOM 2900 HG2 MET 191 30.874 27.482 42.486 1.00 0.00 H +ATOM 2901 SD MET 191 31.390 29.370 41.070 1.00 0.00 S +ATOM 2902 CE MET 191 29.740 28.840 40.380 1.00 0.00 C +ATOM 2903 HE1 MET 191 29.380 29.632 39.688 1.00 0.00 H +ATOM 2904 HE2 MET 191 29.980 27.888 39.860 1.00 0.00 H +ATOM 2905 HE3 MET 191 29.008 28.750 41.212 1.00 0.00 H +ATOM 2906 C MET 191 32.980 25.060 42.630 1.00 0.00 C +ATOM 2907 O MET 191 31.930 24.420 42.860 1.00 0.00 O +ATOM 2908 N GLY 192 33.930 24.540 41.800 1.00 0.00 N +ATOM 2909 HN GLY 192 34.810 24.990 41.670 1.00 0.00 H +ATOM 2910 CA GLY 192 33.690 23.390 41.010 1.00 0.00 C +ATOM 2911 HA1 GLY 192 32.744 23.330 40.492 1.00 0.00 H +ATOM 2912 HA2 GLY 192 34.452 23.260 40.258 1.00 0.00 H +ATOM 2913 C GLY 192 33.620 22.140 41.870 1.00 0.00 C +ATOM 2914 O GLY 192 32.820 21.240 41.660 1.00 0.00 O +ATOM 2915 N SER 193 34.450 22.060 42.920 1.00 0.00 N +ATOM 2916 HN SER 193 35.140 22.780 42.910 1.00 0.00 H +ATOM 2917 CA SER 193 34.600 20.880 43.860 1.00 0.00 C +ATOM 2918 HA SER 193 34.700 20.014 43.224 1.00 0.00 H +ATOM 2919 CB SER 193 35.820 20.910 44.740 1.00 0.00 C +ATOM 2920 HB1 SER 193 35.680 20.220 45.600 1.00 0.00 H +ATOM 2921 HB2 SER 193 36.790 20.640 44.270 1.00 0.00 H +ATOM 2922 OG SER 193 36.040 22.250 45.250 1.00 0.00 O +ATOM 2923 HG1 SER 193 36.170 22.660 44.392 1.00 0.00 H +ATOM 2924 C SER 193 33.350 20.650 44.740 1.00 0.00 C +ATOM 2925 O SER 193 33.080 19.560 45.330 1.00 0.00 O +ATOM 2926 N LYS 194 32.410 21.630 44.770 1.00 0.00 N +ATOM 2927 HN LYS 194 32.708 22.524 44.442 1.00 0.00 H +ATOM 2928 CA LYS 194 31.130 21.540 45.520 1.00 0.00 C +ATOM 2929 HA LYS 194 31.240 20.770 46.270 1.00 0.00 H +ATOM 2930 CB LYS 194 30.820 22.900 46.160 1.00 0.00 C +ATOM 2931 HB1 LYS 194 30.590 23.698 45.422 1.00 0.00 H +ATOM 2932 HB2 LYS 194 29.882 22.820 46.750 1.00 0.00 H +ATOM 2933 CG LYS 194 32.000 23.400 47.060 1.00 0.00 C +ATOM 2934 HG1 LYS 194 32.468 22.534 47.578 1.00 0.00 H +ATOM 2935 HG2 LYS 194 32.734 23.792 46.326 1.00 0.00 H +ATOM 2936 CD LYS 194 31.550 24.590 48.010 1.00 0.00 C +ATOM 2937 HD1 LYS 194 31.420 25.506 47.396 1.00 0.00 H +ATOM 2938 HD2 LYS 194 30.632 24.310 48.570 1.00 0.00 H +ATOM 2939 CE LYS 194 32.690 24.810 49.090 1.00 0.00 C +ATOM 2940 HE1 LYS 194 33.516 25.288 48.522 1.00 0.00 H +ATOM 2941 HE2 LYS 194 32.480 25.576 49.866 1.00 0.00 H +ATOM 2942 NZ LYS 194 33.180 23.600 49.790 1.00 0.00 N +ATOM 2943 HZ1 LYS 194 32.386 22.944 49.938 1.00 0.00 H +ATOM 2944 HZ2 LYS 194 33.832 23.108 49.148 1.00 0.00 H +ATOM 2945 HZ3 LYS 194 33.552 23.830 50.734 1.00 0.00 H +ATOM 2946 C LYS 194 30.010 21.030 44.560 1.00 0.00 C +ATOM 2947 O LYS 194 28.860 20.770 45.000 1.00 0.00 O +ATOM 2948 N LYS 195 30.270 20.850 43.230 1.00 0.00 N +ATOM 2949 HN LYS 195 31.220 20.680 42.980 1.00 0.00 H +ATOM 2950 CA LYS 195 29.170 20.730 42.270 1.00 0.00 C +ATOM 2951 HA LYS 195 29.640 20.680 41.300 1.00 0.00 H +ATOM 2952 CB LYS 195 28.420 19.370 42.190 1.00 0.00 C +ATOM 2953 HB1 LYS 195 28.040 18.990 43.162 1.00 0.00 H +ATOM 2954 HB2 LYS 195 27.550 19.400 41.500 1.00 0.00 H +ATOM 2955 CG LYS 195 29.320 18.270 41.740 1.00 0.00 C +ATOM 2956 HG1 LYS 195 29.710 18.430 40.712 1.00 0.00 H +ATOM 2957 HG2 LYS 195 30.182 18.150 42.432 1.00 0.00 H +ATOM 2958 CD LYS 195 28.610 16.920 41.660 1.00 0.00 C +ATOM 2959 HD1 LYS 195 28.130 16.770 42.650 1.00 0.00 H +ATOM 2960 HD2 LYS 195 27.786 16.950 40.916 1.00 0.00 H +ATOM 2961 CE LYS 195 29.720 15.870 41.450 1.00 0.00 C +ATOM 2962 HE1 LYS 195 30.304 16.102 40.534 1.00 0.00 H +ATOM 2963 HE2 LYS 195 30.388 15.880 42.338 1.00 0.00 H +ATOM 2964 NZ LYS 195 29.090 14.520 41.530 1.00 0.00 N +ATOM 2965 HZ1 LYS 195 28.390 14.310 40.790 1.00 0.00 H +ATOM 2966 HZ2 LYS 195 29.702 13.678 41.520 1.00 0.00 H +ATOM 2967 HZ3 LYS 195 28.528 14.550 42.404 1.00 0.00 H +ATOM 2968 C LYS 195 28.270 21.930 42.040 1.00 0.00 C +ATOM 2969 O LYS 195 27.140 21.840 41.520 1.00 0.00 O +ATOM 2970 N LEU 196 28.860 23.150 42.310 1.00 0.00 N +ATOM 2971 HN LEU 196 29.830 23.220 42.530 1.00 0.00 H +ATOM 2972 CA LEU 196 28.150 24.400 42.120 1.00 0.00 C +ATOM 2973 HA LEU 196 27.104 24.168 41.990 1.00 0.00 H +ATOM 2974 CB LEU 196 28.530 25.410 43.230 1.00 0.00 C +ATOM 2975 HB1 LEU 196 28.440 24.976 44.248 1.00 0.00 H +ATOM 2976 HB2 LEU 196 29.626 25.570 43.140 1.00 0.00 H +ATOM 2977 CG LEU 196 27.710 26.780 43.310 1.00 0.00 C +ATOM 2978 HG LEU 196 27.900 27.328 42.362 1.00 0.00 H +ATOM 2979 CD1 LEU 196 26.200 26.490 43.380 1.00 0.00 C +ATOM 2980 1HD1 LEU 196 25.990 26.010 44.360 1.00 0.00 H +ATOM 2981 2HD1 LEU 196 25.688 27.474 43.390 1.00 0.00 H +ATOM 2982 3HD1 LEU 196 25.782 25.782 42.632 1.00 0.00 H +ATOM 2983 CD2 LEU 196 28.290 27.760 44.380 1.00 0.00 C +ATOM 2984 1HD2 LEU 196 28.130 27.470 45.440 1.00 0.00 H +ATOM 2985 2HD2 LEU 196 29.394 27.870 44.330 1.00 0.00 H +ATOM 2986 3HD2 LEU 196 27.792 28.694 44.042 1.00 0.00 H +ATOM 2987 C LEU 196 28.620 24.980 40.820 1.00 0.00 C +ATOM 2988 O LEU 196 29.790 25.270 40.680 1.00 0.00 O +ATOM 2989 N LYS 197 27.710 25.050 39.830 1.00 0.00 N +ATOM 2990 HN LYS 197 26.756 24.840 40.030 1.00 0.00 H +ATOM 2991 CA LYS 197 27.990 25.580 38.490 1.00 0.00 C +ATOM 2992 HA LYS 197 29.028 25.378 38.278 1.00 0.00 H +ATOM 2993 CB LYS 197 27.140 24.740 37.520 1.00 0.00 C +ATOM 2994 HB1 LYS 197 27.680 23.800 37.280 1.00 0.00 H +ATOM 2995 HB2 LYS 197 26.070 24.670 37.810 1.00 0.00 H +ATOM 2996 CG LYS 197 27.160 25.270 36.060 1.00 0.00 C +ATOM 2997 HG1 LYS 197 26.454 24.654 35.464 1.00 0.00 H +ATOM 2998 HG2 LYS 197 26.770 26.310 36.060 1.00 0.00 H +ATOM 2999 CD LYS 197 28.480 25.060 35.260 1.00 0.00 C +ATOM 3000 HD1 LYS 197 29.288 25.508 35.878 1.00 0.00 H +ATOM 3001 HD2 LYS 197 28.740 23.980 35.310 1.00 0.00 H +ATOM 3002 CE LYS 197 28.410 25.780 33.900 1.00 0.00 C +ATOM 3003 HE1 LYS 197 27.570 25.500 33.230 1.00 0.00 H +ATOM 3004 HE2 LYS 197 28.240 26.848 34.160 1.00 0.00 H +ATOM 3005 NZ LYS 197 29.630 25.520 33.160 1.00 0.00 N +ATOM 3006 HZ1 LYS 197 29.520 25.690 32.140 1.00 0.00 H +ATOM 3007 HZ2 LYS 197 30.306 26.226 33.514 1.00 0.00 H +ATOM 3008 HZ3 LYS 197 29.950 24.532 33.240 1.00 0.00 H +ATOM 3009 C LYS 197 27.820 27.070 38.410 1.00 0.00 C +ATOM 3010 O LYS 197 28.440 27.730 37.570 1.00 0.00 O +ATOM 3011 N ALA 198 26.880 27.630 39.190 1.00 0.00 N +ATOM 3012 HN ALA 198 26.452 27.112 39.926 1.00 0.00 H +ATOM 3013 CA ALA 198 26.400 28.990 38.990 1.00 0.00 C +ATOM 3014 HA ALA 198 27.296 29.568 38.810 1.00 0.00 H +ATOM 3015 CB ALA 198 25.510 29.070 37.740 1.00 0.00 C +ATOM 3016 HB1 ALA 198 24.728 28.298 37.580 1.00 0.00 H +ATOM 3017 HB2 ALA 198 25.092 30.098 37.800 1.00 0.00 H +ATOM 3018 HB3 ALA 198 26.150 29.050 36.832 1.00 0.00 H +ATOM 3019 C ALA 198 25.760 29.580 40.250 1.00 0.00 C +ATOM 3020 O ALA 198 25.230 28.890 41.070 1.00 0.00 O +ATOM 3021 N VAL 199 25.760 30.900 40.410 1.00 0.00 N +ATOM 3022 HN VAL 199 26.368 31.378 39.782 1.00 0.00 H +ATOM 3023 CA VAL 199 24.990 31.670 41.330 1.00 0.00 C +ATOM 3024 HA VAL 199 24.204 31.056 41.742 1.00 0.00 H +ATOM 3025 CB VAL 199 25.890 32.170 42.470 1.00 0.00 C +ATOM 3026 HB VAL 199 26.832 32.570 42.040 1.00 0.00 H +ATOM 3027 CG1 VAL 199 25.240 33.130 43.410 1.00 0.00 C +ATOM 3028 1HG1 VAL 199 24.280 32.660 43.710 1.00 0.00 H +ATOM 3029 2HG1 VAL 199 25.838 33.548 44.248 1.00 0.00 H +ATOM 3030 3HG1 VAL 199 25.010 33.988 42.742 1.00 0.00 H +ATOM 3031 CG2 VAL 199 26.370 30.960 43.340 1.00 0.00 C +ATOM 3032 1HG2 VAL 199 27.118 30.322 42.822 1.00 0.00 H +ATOM 3033 2HG2 VAL 199 26.862 31.402 44.232 1.00 0.00 H +ATOM 3034 3HG2 VAL 199 25.560 30.340 43.780 1.00 0.00 H +ATOM 3035 C VAL 199 24.300 32.850 40.630 1.00 0.00 C +ATOM 3036 O VAL 199 24.890 33.670 39.890 1.00 0.00 O +ATOM 3037 N VAL 200 23.020 32.870 40.740 1.00 0.00 N +ATOM 3038 HN VAL 200 22.562 32.112 41.198 1.00 0.00 H +ATOM 3039 CA VAL 200 22.090 33.760 40.050 1.00 0.00 C +ATOM 3040 HA VAL 200 22.622 34.404 39.366 1.00 0.00 H +ATOM 3041 CB VAL 200 21.070 33.010 39.270 1.00 0.00 C +ATOM 3042 HB VAL 200 20.530 32.328 39.962 1.00 0.00 H +ATOM 3043 CG1 VAL 200 20.000 33.870 38.660 1.00 0.00 C +ATOM 3044 1HG1 VAL 200 19.380 34.410 39.408 1.00 0.00 H +ATOM 3045 2HG1 VAL 200 20.432 34.732 38.108 1.00 0.00 H +ATOM 3046 3HG1 VAL 200 19.290 33.260 38.060 1.00 0.00 H +ATOM 3047 CG2 VAL 200 21.810 32.250 38.170 1.00 0.00 C +ATOM 3048 1HG2 VAL 200 21.108 31.750 37.468 1.00 0.00 H +ATOM 3049 2HG2 VAL 200 22.580 32.860 37.650 1.00 0.00 H +ATOM 3050 3HG2 VAL 200 22.422 31.396 38.532 1.00 0.00 H +ATOM 3051 C VAL 200 21.360 34.670 40.990 1.00 0.00 C +ATOM 3052 O VAL 200 20.620 34.170 41.850 1.00 0.00 O +ATOM 3053 N ILE 201 21.640 35.970 40.910 1.00 0.00 N +ATOM 3054 HN ILE 201 22.230 36.280 40.170 1.00 0.00 H +ATOM 3055 CA ILE 201 21.140 36.910 41.900 1.00 0.00 C +ATOM 3056 HA ILE 201 20.670 36.318 42.672 1.00 0.00 H +ATOM 3057 CB ILE 201 22.260 37.550 42.650 1.00 0.00 C +ATOM 3058 HB ILE 201 22.580 38.512 42.198 1.00 0.00 H +ATOM 3059 CG2 ILE 201 21.660 37.990 43.990 1.00 0.00 C +ATOM 3060 1HG2 ILE 201 22.370 38.580 44.610 1.00 0.00 H +ATOM 3061 2HG2 ILE 201 20.838 38.650 43.640 1.00 0.00 H +ATOM 3062 3HG2 ILE 201 21.310 37.152 44.630 1.00 0.00 H +ATOM 3063 CG1 ILE 201 23.460 36.530 42.850 1.00 0.00 C +ATOM 3064 1HG1 ILE 201 23.060 35.500 42.970 1.00 0.00 H +ATOM 3065 2HG1 ILE 201 23.980 36.450 41.872 1.00 0.00 H +ATOM 3066 CD ILE 201 24.400 36.780 44.020 1.00 0.00 C +ATOM 3067 HD1 ILE 201 24.630 37.868 43.990 1.00 0.00 H +ATOM 3068 HD2 ILE 201 23.758 36.570 44.902 1.00 0.00 H +ATOM 3069 HD3 ILE 201 25.282 36.108 43.960 1.00 0.00 H +ATOM 3070 C ILE 201 20.180 37.920 41.390 1.00 0.00 C +ATOM 3071 O ILE 201 20.500 38.740 40.560 1.00 0.00 O +ATOM 3072 N ARG 202 18.900 37.880 41.980 1.00 0.00 N +ATOM 3073 HN ARG 202 18.670 37.124 42.588 1.00 0.00 H +ATOM 3074 CA ARG 202 17.920 38.870 41.710 1.00 0.00 C +ATOM 3075 HA ARG 202 18.350 39.628 41.072 1.00 0.00 H +ATOM 3076 CB ARG 202 16.600 38.340 41.090 1.00 0.00 C +ATOM 3077 HB1 ARG 202 16.680 37.480 40.390 1.00 0.00 H +ATOM 3078 HB2 ARG 202 15.998 37.788 41.842 1.00 0.00 H +ATOM 3079 CG ARG 202 15.800 39.350 40.320 1.00 0.00 C +ATOM 3080 HG1 ARG 202 15.740 40.358 40.784 1.00 0.00 H +ATOM 3081 HG2 ARG 202 16.310 39.470 39.340 1.00 0.00 H +ATOM 3082 CD ARG 202 14.340 38.850 40.100 1.00 0.00 C +ATOM 3083 HD1 ARG 202 14.220 37.870 39.590 1.00 0.00 H +ATOM 3084 HD2 ARG 202 13.868 38.780 41.104 1.00 0.00 H +ATOM 3085 NE ARG 202 13.590 39.790 39.210 1.00 0.00 N +ATOM 3086 HE ARG 202 14.040 40.678 39.110 1.00 0.00 H +ATOM 3087 CZ ARG 202 12.400 39.570 38.590 1.00 0.00 C +ATOM 3088 NH1 ARG 202 11.630 38.530 38.780 1.00 0.00 N +ATOM 3089 1HH1 ARG 202 11.770 37.982 39.606 1.00 0.00 H +ATOM 3090 2HH1 ARG 202 10.746 38.670 38.338 1.00 0.00 H +ATOM 3091 NH2 ARG 202 11.920 40.480 37.750 1.00 0.00 N +ATOM 3092 1HH2 ARG 202 12.540 41.220 37.490 1.00 0.00 H +ATOM 3093 2HH2 ARG 202 11.266 40.118 37.086 1.00 0.00 H +ATOM 3094 C ARG 202 17.640 39.590 43.070 1.00 0.00 C +ATOM 3095 O ARG 202 17.310 38.960 44.110 1.00 0.00 O +ATOM 3096 N GLY 203 17.910 40.880 43.150 1.00 0.00 N +ATOM 3097 HN GLY 203 18.248 41.358 42.344 1.00 0.00 H +ATOM 3098 CA GLY 203 17.640 41.710 44.350 1.00 0.00 C +ATOM 3099 HA1 GLY 203 17.000 41.120 44.990 1.00 0.00 H +ATOM 3100 HA2 GLY 203 18.612 42.030 44.692 1.00 0.00 H +ATOM 3101 C GLY 203 16.820 42.900 44.020 1.00 0.00 C +ATOM 3102 O GLY 203 17.130 43.560 43.020 1.00 0.00 O +ATOM 3103 N THR 204 15.740 43.070 44.770 1.00 0.00 N +ATOM 3104 HN THR 204 15.550 42.312 45.388 1.00 0.00 H +ATOM 3105 CA THR 204 14.710 44.050 44.460 1.00 0.00 C +ATOM 3106 HA THR 204 15.052 44.544 43.564 1.00 0.00 H +ATOM 3107 CB THR 204 13.350 43.430 43.960 1.00 0.00 C +ATOM 3108 HB THR 204 12.820 44.160 43.310 1.00 0.00 H +ATOM 3109 OG1 THR 204 12.440 43.080 44.970 1.00 0.00 O +ATOM 3110 HG1 THR 204 12.890 42.442 45.528 1.00 0.00 H +ATOM 3111 CG2 THR 204 13.590 42.140 43.080 1.00 0.00 C +ATOM 3112 1HG2 THR 204 12.636 41.858 42.588 1.00 0.00 H +ATOM 3113 2HG2 THR 204 14.370 42.330 42.310 1.00 0.00 H +ATOM 3114 3HG2 THR 204 13.970 41.412 43.828 1.00 0.00 H +ATOM 3115 C THR 204 14.550 45.190 45.510 1.00 0.00 C +ATOM 3116 O THR 204 13.920 46.190 45.190 1.00 0.00 O +ATOM 3117 N LYS 205 15.130 45.050 46.660 1.00 0.00 N +ATOM 3118 HN LYS 205 15.750 44.280 46.790 1.00 0.00 H +ATOM 3119 CA LYS 205 15.070 45.960 47.780 1.00 0.00 C +ATOM 3120 HA LYS 205 14.030 46.230 47.880 1.00 0.00 H +ATOM 3121 CB LYS 205 15.580 45.310 49.060 1.00 0.00 C +ATOM 3122 HB1 LYS 205 16.682 45.210 49.160 1.00 0.00 H +ATOM 3123 HB2 LYS 205 15.238 45.932 49.914 1.00 0.00 H +ATOM 3124 CG LYS 205 14.890 43.900 49.310 1.00 0.00 C +ATOM 3125 HG1 LYS 205 13.798 44.090 49.360 1.00 0.00 H +ATOM 3126 HG2 LYS 205 15.318 43.184 48.574 1.00 0.00 H +ATOM 3127 CD LYS 205 15.220 43.120 50.590 1.00 0.00 C +ATOM 3128 HD1 LYS 205 16.284 42.862 50.780 1.00 0.00 H +ATOM 3129 HD2 LYS 205 14.848 43.752 51.424 1.00 0.00 H +ATOM 3130 CE LYS 205 14.440 41.740 50.590 1.00 0.00 C +ATOM 3131 HE1 LYS 205 13.330 41.770 50.560 1.00 0.00 H +ATOM 3132 HE2 LYS 205 14.892 41.228 49.716 1.00 0.00 H +ATOM 3133 NZ LYS 205 14.740 40.950 51.840 1.00 0.00 N +ATOM 3134 HZ1 LYS 205 14.080 40.170 52.040 1.00 0.00 H +ATOM 3135 HZ2 LYS 205 15.618 40.402 51.940 1.00 0.00 H +ATOM 3136 HZ3 LYS 205 14.700 41.618 52.636 1.00 0.00 H +ATOM 3137 C LYS 205 15.770 47.270 47.500 1.00 0.00 C +ATOM 3138 O LYS 205 16.720 47.310 46.680 1.00 0.00 O +ATOM 3139 N GLU 206 15.490 48.300 48.290 1.00 0.00 N +ATOM 3140 HN GLU 206 14.732 48.280 48.938 1.00 0.00 H +ATOM 3141 CA GLU 206 16.450 49.420 48.560 1.00 0.00 C +ATOM 3142 HA GLU 206 17.038 49.540 47.662 1.00 0.00 H +ATOM 3143 CB GLU 206 15.660 50.710 48.800 1.00 0.00 C +ATOM 3144 HB1 GLU 206 14.980 50.880 47.938 1.00 0.00 H +ATOM 3145 HB2 GLU 206 14.952 50.460 49.618 1.00 0.00 H +ATOM 3146 CG GLU 206 16.480 51.980 49.190 1.00 0.00 C +ATOM 3147 HG1 GLU 206 17.144 51.828 50.066 1.00 0.00 H +ATOM 3148 HG2 GLU 206 17.120 52.200 48.310 1.00 0.00 H +ATOM 3149 CD GLU 206 15.620 53.230 49.380 1.00 0.00 C +ATOM 3150 OE1 GLU 206 15.240 53.910 48.380 1.00 0.00 O +ATOM 3151 OE2 GLU 206 15.370 53.570 50.570 1.00 0.00 O +ATOM 3152 C GLU 206 17.470 49.090 49.650 1.00 0.00 C +ATOM 3153 O GLU 206 17.210 48.470 50.690 1.00 0.00 O +ATOM 3154 N ILE 207 18.680 49.610 49.420 1.00 0.00 N +ATOM 3155 HN ILE 207 18.940 50.148 48.622 1.00 0.00 H +ATOM 3156 CA ILE 207 19.730 49.460 50.330 1.00 0.00 C +ATOM 3157 HA ILE 207 19.620 48.500 50.810 1.00 0.00 H +ATOM 3158 CB ILE 207 21.190 49.540 49.700 1.00 0.00 C +ATOM 3159 HB ILE 207 21.200 50.396 48.992 1.00 0.00 H +ATOM 3160 CG2 ILE 207 22.290 49.780 50.720 1.00 0.00 C +ATOM 3161 1HG2 ILE 207 22.390 48.900 51.390 1.00 0.00 H +ATOM 3162 2HG2 ILE 207 23.270 49.970 50.230 1.00 0.00 H +ATOM 3163 3HG2 ILE 207 22.180 50.698 51.338 1.00 0.00 H +ATOM 3164 CG1 ILE 207 21.390 48.280 48.850 1.00 0.00 C +ATOM 3165 1HG1 ILE 207 22.048 47.652 49.488 1.00 0.00 H +ATOM 3166 2HG1 ILE 207 20.502 47.632 48.690 1.00 0.00 H +ATOM 3167 CD ILE 207 22.150 48.570 47.500 1.00 0.00 C +ATOM 3168 HD1 ILE 207 21.580 49.230 46.810 1.00 0.00 H +ATOM 3169 HD2 ILE 207 23.120 49.070 47.710 1.00 0.00 H +ATOM 3170 HD3 ILE 207 22.300 47.590 47.000 1.00 0.00 H +ATOM 3171 C ILE 207 19.670 50.690 51.270 1.00 0.00 C +ATOM 3172 O ILE 207 19.570 51.860 50.880 1.00 0.00 O +ATOM 3173 N PRO 208 19.710 50.410 52.640 1.00 0.00 N +ATOM 3174 CD PRO 208 19.540 49.070 53.260 1.00 0.00 C +ATOM 3175 HD1 PRO 208 20.538 48.582 53.250 1.00 0.00 H +ATOM 3176 HD2 PRO 208 18.728 48.518 52.740 1.00 0.00 H +ATOM 3177 CA PRO 208 19.780 51.500 53.650 1.00 0.00 C +ATOM 3178 HA PRO 208 18.870 52.080 53.650 1.00 0.00 H +ATOM 3179 CB PRO 208 20.050 50.650 54.920 1.00 0.00 C +ATOM 3180 HB1 PRO 208 21.136 50.458 55.050 1.00 0.00 H +ATOM 3181 HB2 PRO 208 19.730 51.188 55.838 1.00 0.00 H +ATOM 3182 CG PRO 208 19.230 49.390 54.710 1.00 0.00 C +ATOM 3183 HG1 PRO 208 19.450 48.500 55.340 1.00 0.00 H +ATOM 3184 HG2 PRO 208 18.158 49.650 54.830 1.00 0.00 H +ATOM 3185 C PRO 208 20.960 52.470 53.460 1.00 0.00 C +ATOM 3186 O PRO 208 22.160 52.070 53.580 1.00 0.00 O +ATOM 3187 N VAL 209 20.700 53.790 53.260 1.00 0.00 N +ATOM 3188 HN VAL 209 19.734 54.002 53.140 1.00 0.00 H +ATOM 3189 CA VAL 209 21.740 54.820 53.210 1.00 0.00 C +ATOM 3190 HA VAL 209 22.732 54.410 53.330 1.00 0.00 H +ATOM 3191 CB VAL 209 21.840 55.440 51.790 1.00 0.00 C +ATOM 3192 HB VAL 209 20.842 55.690 51.370 1.00 0.00 H +ATOM 3193 CG1 VAL 209 22.580 56.800 51.690 1.00 0.00 C +ATOM 3194 1HG1 VAL 209 22.220 57.568 52.408 1.00 0.00 H +ATOM 3195 2HG1 VAL 209 23.662 56.620 51.860 1.00 0.00 H +ATOM 3196 3HG1 VAL 209 22.510 57.222 50.666 1.00 0.00 H +ATOM 3197 CG2 VAL 209 22.500 54.420 50.810 1.00 0.00 C +ATOM 3198 1HG2 VAL 209 23.448 53.980 51.190 1.00 0.00 H +ATOM 3199 2HG2 VAL 209 21.826 53.576 50.548 1.00 0.00 H +ATOM 3200 3HG2 VAL 209 22.640 55.030 49.892 1.00 0.00 H +ATOM 3201 C VAL 209 21.430 55.820 54.300 1.00 0.00 C +ATOM 3202 O VAL 209 20.290 56.300 54.460 1.00 0.00 O +ATOM 3203 N ALA 210 22.440 56.200 55.080 1.00 0.00 N +ATOM 3204 HN ALA 210 23.330 55.760 55.000 1.00 0.00 H +ATOM 3205 CA ALA 210 22.320 57.210 56.130 1.00 0.00 C +ATOM 3206 HA ALA 210 21.594 56.782 56.806 1.00 0.00 H +ATOM 3207 CB ALA 210 23.610 57.330 56.880 1.00 0.00 C +ATOM 3208 HB1 ALA 210 24.492 57.150 56.228 1.00 0.00 H +ATOM 3209 HB2 ALA 210 23.670 58.348 57.320 1.00 0.00 H +ATOM 3210 HB3 ALA 210 23.650 56.540 57.660 1.00 0.00 H +ATOM 3211 C ALA 210 21.810 58.570 55.570 1.00 0.00 C +ATOM 3212 O ALA 210 20.730 59.010 55.930 1.00 0.00 O +ATOM 3213 N ASP 211 22.610 59.190 54.650 1.00 0.00 N +ATOM 3214 HN ASP 211 23.358 58.632 54.300 1.00 0.00 H +ATOM 3215 CA ASP 211 22.370 60.430 53.930 1.00 0.00 C +ATOM 3216 HA ASP 211 21.454 60.918 54.228 1.00 0.00 H +ATOM 3217 CB ASP 211 23.560 61.430 54.280 1.00 0.00 C +ATOM 3218 HB1 ASP 211 23.430 61.380 55.382 1.00 0.00 H +ATOM 3219 HB2 ASP 211 24.544 60.938 54.120 1.00 0.00 H +ATOM 3220 CG ASP 211 23.340 62.840 53.890 1.00 0.00 C +ATOM 3221 OD1 ASP 211 22.360 63.070 53.140 1.00 0.00 O +ATOM 3222 OD2 ASP 211 24.090 63.690 54.480 1.00 0.00 O +ATOM 3223 C ASP 211 22.460 60.300 52.420 1.00 0.00 C +ATOM 3224 O ASP 211 23.520 60.240 51.780 1.00 0.00 O +ATOM 3225 N LYS 212 21.310 60.300 51.850 1.00 0.00 N +ATOM 3226 HN LYS 212 20.472 60.340 52.388 1.00 0.00 H +ATOM 3227 CA LYS 212 20.960 60.020 50.480 1.00 0.00 C +ATOM 3228 HA LYS 212 21.460 59.102 50.210 1.00 0.00 H +ATOM 3229 CB LYS 212 19.470 59.650 50.290 1.00 0.00 C +ATOM 3230 HB1 LYS 212 18.884 60.536 50.618 1.00 0.00 H +ATOM 3231 HB2 LYS 212 19.310 59.510 49.200 1.00 0.00 H +ATOM 3232 CG LYS 212 19.060 58.370 50.940 1.00 0.00 C +ATOM 3233 HG1 LYS 212 19.740 57.660 50.420 1.00 0.00 H +ATOM 3234 HG2 LYS 212 19.290 58.440 52.026 1.00 0.00 H +ATOM 3235 CD LYS 212 17.580 57.970 50.540 1.00 0.00 C +ATOM 3236 HD1 LYS 212 16.878 58.824 50.650 1.00 0.00 H +ATOM 3237 HD2 LYS 212 17.700 57.680 49.474 1.00 0.00 H +ATOM 3238 CE LYS 212 17.240 56.710 51.300 1.00 0.00 C +ATOM 3239 HE1 LYS 212 17.968 55.894 51.100 1.00 0.00 H +ATOM 3240 HE2 LYS 212 17.290 56.960 52.382 1.00 0.00 H +ATOM 3241 NZ LYS 212 15.900 56.280 50.900 1.00 0.00 N +ATOM 3242 HZ1 LYS 212 15.560 56.360 49.920 1.00 0.00 H +ATOM 3243 HZ2 LYS 212 15.730 55.290 51.170 1.00 0.00 H +ATOM 3244 HZ3 LYS 212 15.244 56.836 51.486 1.00 0.00 H +ATOM 3245 C LYS 212 21.450 61.160 49.640 1.00 0.00 C +ATOM 3246 O LYS 212 22.060 60.940 48.580 1.00 0.00 O +ATOM 3247 N GLU 213 21.190 62.450 50.090 1.00 0.00 N +ATOM 3248 HN GLU 213 20.746 62.550 50.976 1.00 0.00 H +ATOM 3249 CA GLU 213 21.360 63.640 49.320 1.00 0.00 C +ATOM 3250 HA GLU 213 20.974 63.512 48.318 1.00 0.00 H +ATOM 3251 CB GLU 213 20.640 64.770 49.940 1.00 0.00 C +ATOM 3252 HB1 GLU 213 20.770 64.640 51.036 1.00 0.00 H +ATOM 3253 HB2 GLU 213 21.100 65.750 49.690 1.00 0.00 H +ATOM 3254 CG GLU 213 19.130 64.950 49.610 1.00 0.00 C +ATOM 3255 HG1 GLU 213 18.660 64.010 49.970 1.00 0.00 H +ATOM 3256 HG2 GLU 213 18.778 65.854 50.152 1.00 0.00 H +ATOM 3257 CD GLU 213 18.840 65.150 48.130 1.00 0.00 C +ATOM 3258 OE1 GLU 213 17.890 64.420 47.690 1.00 0.00 O +ATOM 3259 OE2 GLU 213 19.470 66.050 47.480 1.00 0.00 O +ATOM 3260 C GLU 213 22.780 63.950 49.200 1.00 0.00 C +ATOM 3261 O GLU 213 23.270 64.360 48.180 1.00 0.00 O +ATOM 3262 N GLU 214 23.510 63.750 50.360 1.00 0.00 N +ATOM 3263 HN GLU 214 23.182 63.402 51.236 1.00 0.00 H +ATOM 3264 CA GLU 214 24.930 64.000 50.380 1.00 0.00 C +ATOM 3265 HA GLU 214 25.110 65.004 50.028 1.00 0.00 H +ATOM 3266 CB GLU 214 25.520 64.100 51.780 1.00 0.00 C +ATOM 3267 HB1 GLU 214 24.964 64.856 52.376 1.00 0.00 H +ATOM 3268 HB2 GLU 214 25.350 63.096 52.222 1.00 0.00 H +ATOM 3269 CG GLU 214 27.000 64.660 51.830 1.00 0.00 C +ATOM 3270 HG1 GLU 214 27.270 64.770 52.902 1.00 0.00 H +ATOM 3271 HG2 GLU 214 27.678 63.882 51.420 1.00 0.00 H +ATOM 3272 CD GLU 214 27.220 65.970 51.230 1.00 0.00 C +ATOM 3273 OE1 GLU 214 28.330 66.200 50.630 1.00 0.00 O +ATOM 3274 OE2 GLU 214 26.350 66.910 51.410 1.00 0.00 O +ATOM 3275 C GLU 214 25.670 63.050 49.480 1.00 0.00 C +ATOM 3276 O GLU 214 26.580 63.350 48.760 1.00 0.00 O +ATOM 3277 N LEU 215 25.240 61.750 49.540 1.00 0.00 N +ATOM 3278 HN LEU 215 24.482 61.590 50.168 1.00 0.00 H +ATOM 3279 CA LEU 215 25.820 60.670 48.700 1.00 0.00 C +ATOM 3280 HA LEU 215 26.862 60.590 48.970 1.00 0.00 H +ATOM 3281 CB LEU 215 25.160 59.280 49.020 1.00 0.00 C +ATOM 3282 HB1 LEU 215 25.410 58.940 50.048 1.00 0.00 H +ATOM 3283 HB2 LEU 215 24.070 59.470 49.130 1.00 0.00 H +ATOM 3284 CG LEU 215 25.350 58.090 48.020 1.00 0.00 C +ATOM 3285 HG LEU 215 24.872 58.368 47.056 1.00 0.00 H +ATOM 3286 CD1 LEU 215 26.800 57.650 47.840 1.00 0.00 C +ATOM 3287 1HD1 LEU 215 27.490 58.520 47.830 1.00 0.00 H +ATOM 3288 2HD1 LEU 215 27.162 56.976 48.644 1.00 0.00 H +ATOM 3289 3HD1 LEU 215 26.910 57.100 46.880 1.00 0.00 H +ATOM 3290 CD2 LEU 215 24.530 56.870 48.590 1.00 0.00 C +ATOM 3291 1HD2 LEU 215 24.490 55.926 48.008 1.00 0.00 H +ATOM 3292 2HD2 LEU 215 24.898 56.572 49.596 1.00 0.00 H +ATOM 3293 3HD2 LEU 215 23.476 57.088 48.868 1.00 0.00 H +ATOM 3294 C LEU 215 25.670 61.040 47.210 1.00 0.00 C +ATOM 3295 O LEU 215 26.550 60.850 46.340 1.00 0.00 O +ATOM 3296 N LYS 216 24.500 61.520 46.800 1.00 0.00 N +ATOM 3297 HN LYS 216 23.782 61.570 47.490 1.00 0.00 H +ATOM 3298 CA LYS 216 24.170 61.940 45.450 1.00 0.00 C +ATOM 3299 HA LYS 216 24.520 61.170 44.780 1.00 0.00 H +ATOM 3300 CB LYS 216 22.630 62.180 45.360 1.00 0.00 C +ATOM 3301 HB1 LYS 216 22.180 61.200 45.630 1.00 0.00 H +ATOM 3302 HB2 LYS 216 22.270 62.908 46.118 1.00 0.00 H +ATOM 3303 CG LYS 216 22.030 62.490 43.960 1.00 0.00 C +ATOM 3304 HG1 LYS 216 22.640 63.240 43.410 1.00 0.00 H +ATOM 3305 HG2 LYS 216 22.030 61.524 43.412 1.00 0.00 H +ATOM 3306 CD LYS 216 20.670 63.110 44.130 1.00 0.00 C +ATOM 3307 HD1 LYS 216 19.910 62.410 44.540 1.00 0.00 H +ATOM 3308 HD2 LYS 216 20.760 63.918 44.888 1.00 0.00 H +ATOM 3309 CE LYS 216 20.130 63.600 42.820 1.00 0.00 C +ATOM 3310 HE1 LYS 216 20.856 64.286 42.332 1.00 0.00 H +ATOM 3311 HE2 LYS 216 19.930 62.730 42.160 1.00 0.00 H +ATOM 3312 NZ LYS 216 18.930 64.320 43.050 1.00 0.00 N +ATOM 3313 HZ1 LYS 216 18.478 64.732 42.208 1.00 0.00 H +ATOM 3314 HZ2 LYS 216 18.288 63.608 43.452 1.00 0.00 H +ATOM 3315 HZ3 LYS 216 19.080 65.032 43.792 1.00 0.00 H +ATOM 3316 C LYS 216 25.040 63.080 44.940 1.00 0.00 C +ATOM 3317 O LYS 216 25.660 63.100 43.830 1.00 0.00 O +ATOM 3318 N LYS 217 25.100 64.180 45.790 1.00 0.00 N +ATOM 3319 HN LYS 217 24.470 64.240 46.560 1.00 0.00 H +ATOM 3320 CA LYS 217 25.960 65.310 45.450 1.00 0.00 C +ATOM 3321 HA LYS 217 25.700 65.700 44.478 1.00 0.00 H +ATOM 3322 CB LYS 217 25.580 66.370 46.480 1.00 0.00 C +ATOM 3323 HB1 LYS 217 24.698 66.942 46.120 1.00 0.00 H +ATOM 3324 HB2 LYS 217 25.230 65.910 47.430 1.00 0.00 H +ATOM 3325 CG LYS 217 26.620 67.430 46.880 1.00 0.00 C +ATOM 3326 HG1 LYS 217 27.582 66.978 47.200 1.00 0.00 H +ATOM 3327 HG2 LYS 217 26.910 68.070 46.020 1.00 0.00 H +ATOM 3328 CD LYS 217 26.110 68.350 47.970 1.00 0.00 C +ATOM 3329 HD1 LYS 217 25.198 68.902 47.660 1.00 0.00 H +ATOM 3330 HD2 LYS 217 25.808 67.708 48.824 1.00 0.00 H +ATOM 3331 CE LYS 217 27.230 69.250 48.580 1.00 0.00 C +ATOM 3332 HE1 LYS 217 27.680 69.910 47.810 1.00 0.00 H +ATOM 3333 HE2 LYS 217 26.800 70.008 49.268 1.00 0.00 H +ATOM 3334 NZ LYS 217 28.290 68.470 49.280 1.00 0.00 N +ATOM 3335 HZ1 LYS 217 28.710 69.190 49.900 1.00 0.00 H +ATOM 3336 HZ2 LYS 217 27.990 67.648 49.842 1.00 0.00 H +ATOM 3337 HZ3 LYS 217 29.094 68.252 48.656 1.00 0.00 H +ATOM 3338 C LYS 217 27.450 65.020 45.330 1.00 0.00 C +ATOM 3339 O LYS 217 28.100 65.460 44.360 1.00 0.00 O +ATOM 3340 N LEU 218 27.990 64.240 46.340 1.00 0.00 N +ATOM 3341 HN LEU 218 27.520 63.830 47.118 1.00 0.00 H +ATOM 3342 CA LEU 218 29.360 63.760 46.300 1.00 0.00 C +ATOM 3343 HA LEU 218 30.070 64.558 46.140 1.00 0.00 H +ATOM 3344 CB LEU 218 29.750 62.930 47.510 1.00 0.00 C +ATOM 3345 HB1 LEU 218 29.042 62.092 47.690 1.00 0.00 H +ATOM 3346 HB2 LEU 218 30.786 62.552 47.370 1.00 0.00 H +ATOM 3347 CG LEU 218 29.790 63.660 48.850 1.00 0.00 C +ATOM 3348 HG LEU 218 28.970 64.410 48.890 1.00 0.00 H +ATOM 3349 CD1 LEU 218 29.860 62.510 49.920 1.00 0.00 C +ATOM 3350 1HD1 LEU 218 30.210 62.920 50.890 1.00 0.00 H +ATOM 3351 2HD1 LEU 218 28.894 61.962 49.870 1.00 0.00 H +ATOM 3352 3HD1 LEU 218 30.560 61.680 49.690 1.00 0.00 H +ATOM 3353 CD2 LEU 218 31.090 64.470 48.880 1.00 0.00 C +ATOM 3354 1HD2 LEU 218 31.220 64.992 49.852 1.00 0.00 H +ATOM 3355 2HD2 LEU 218 32.010 63.870 48.710 1.00 0.00 H +ATOM 3356 3HD2 LEU 218 31.020 65.352 48.208 1.00 0.00 H +ATOM 3357 C LEU 218 29.570 62.860 45.010 1.00 0.00 C +ATOM 3358 O LEU 218 30.580 63.090 44.300 1.00 0.00 O +ATOM 3359 N SER 219 28.690 61.800 44.730 1.00 0.00 N +ATOM 3360 HN SER 219 27.942 61.600 45.358 1.00 0.00 H +ATOM 3361 CA SER 219 28.910 60.850 43.610 1.00 0.00 C +ATOM 3362 HA SER 219 29.814 60.278 43.750 1.00 0.00 H +ATOM 3363 CB SER 219 27.890 59.680 43.520 1.00 0.00 C +ATOM 3364 HB1 SER 219 26.836 59.880 43.232 1.00 0.00 H +ATOM 3365 HB2 SER 219 28.220 58.982 42.722 1.00 0.00 H +ATOM 3366 OG SER 219 27.840 58.830 44.680 1.00 0.00 O +ATOM 3367 HG1 SER 219 27.500 59.380 45.390 1.00 0.00 H +ATOM 3368 C SER 219 29.130 61.540 42.290 1.00 0.00 C +ATOM 3369 O SER 219 30.020 61.230 41.540 1.00 0.00 O +ATOM 3370 N GLN 220 28.240 62.500 41.940 1.00 0.00 N +ATOM 3371 HN GLN 220 27.542 62.720 42.618 1.00 0.00 H +ATOM 3372 CA GLN 220 28.260 63.380 40.830 1.00 0.00 C +ATOM 3373 HA GLN 220 28.300 62.782 39.932 1.00 0.00 H +ATOM 3374 CB GLN 220 27.040 64.360 40.960 1.00 0.00 C +ATOM 3375 HB1 GLN 220 26.100 63.820 41.200 1.00 0.00 H +ATOM 3376 HB2 GLN 220 27.270 64.928 41.888 1.00 0.00 H +ATOM 3377 CG GLN 220 26.800 65.270 39.730 1.00 0.00 C +ATOM 3378 HG1 GLN 220 25.888 65.892 39.850 1.00 0.00 H +ATOM 3379 HG2 GLN 220 27.642 65.952 39.490 1.00 0.00 H +ATOM 3380 CD GLN 220 26.490 64.330 38.580 1.00 0.00 C +ATOM 3381 OE1 GLN 220 25.370 63.800 38.470 1.00 0.00 O +ATOM 3382 NE2 GLN 220 27.370 64.070 37.650 1.00 0.00 N +ATOM 3383 1HE2 GLN 220 28.304 64.388 37.810 1.00 0.00 H +ATOM 3384 2HE2 GLN 220 27.110 63.750 36.740 1.00 0.00 H +ATOM 3385 C GLN 220 29.540 64.280 40.810 1.00 0.00 C +ATOM 3386 O GLN 220 30.120 64.410 39.750 1.00 0.00 O +ATOM 3387 N GLU 221 30.130 64.900 41.890 1.00 0.00 N +ATOM 3388 HN GLU 221 29.758 64.910 42.814 1.00 0.00 H +ATOM 3389 CA GLU 221 31.410 65.590 41.790 1.00 0.00 C +ATOM 3390 HA GLU 221 31.320 66.384 41.066 1.00 0.00 H +ATOM 3391 CB GLU 221 31.680 66.250 43.160 1.00 0.00 C +ATOM 3392 HB1 GLU 221 31.680 65.460 43.940 1.00 0.00 H +ATOM 3393 HB2 GLU 221 32.664 66.762 43.220 1.00 0.00 H +ATOM 3394 CG GLU 221 30.650 67.330 43.460 1.00 0.00 C +ATOM 3395 HG1 GLU 221 30.420 68.030 42.630 1.00 0.00 H +ATOM 3396 HG2 GLU 221 29.648 66.880 43.630 1.00 0.00 H +ATOM 3397 CD GLU 221 31.030 68.190 44.640 1.00 0.00 C +ATOM 3398 OE1 GLU 221 30.250 69.130 44.980 1.00 0.00 O +ATOM 3399 OE2 GLU 221 32.180 67.990 45.180 1.00 0.00 O +ATOM 3400 C GLU 221 32.570 64.810 41.360 1.00 0.00 C +ATOM 3401 O GLU 221 33.250 65.220 40.440 1.00 0.00 O +ATOM 3402 N ALA 222 32.710 63.560 41.950 1.00 0.00 N +ATOM 3403 HN ALA 222 32.038 63.410 42.672 1.00 0.00 H +ATOM 3404 CA ALA 222 33.540 62.500 41.540 1.00 0.00 C +ATOM 3405 HA ALA 222 34.522 62.942 41.470 1.00 0.00 H +ATOM 3406 CB ALA 222 33.540 61.460 42.690 1.00 0.00 C +ATOM 3407 HB1 ALA 222 34.302 60.688 42.450 1.00 0.00 H +ATOM 3408 HB2 ALA 222 33.810 61.910 43.670 1.00 0.00 H +ATOM 3409 HB3 ALA 222 32.576 60.908 42.690 1.00 0.00 H +ATOM 3410 C ALA 222 33.280 61.920 40.170 1.00 0.00 C +ATOM 3411 O ALA 222 34.200 61.720 39.340 1.00 0.00 O +ATOM 3412 N TYR 223 32.020 61.680 39.730 1.00 0.00 N +ATOM 3413 HN TYR 223 31.272 61.690 40.388 1.00 0.00 H +ATOM 3414 CA TYR 223 31.820 61.460 38.310 1.00 0.00 C +ATOM 3415 HA TYR 223 32.338 60.572 37.980 1.00 0.00 H +ATOM 3416 CB TYR 223 30.250 61.150 38.000 1.00 0.00 C +ATOM 3417 HB1 TYR 223 29.654 61.964 38.466 1.00 0.00 H +ATOM 3418 HB2 TYR 223 30.100 61.210 36.900 1.00 0.00 H +ATOM 3419 CG TYR 223 29.800 59.770 38.470 1.00 0.00 C +ATOM 3420 CD1 TYR 223 30.410 58.630 38.050 1.00 0.00 C +ATOM 3421 HD1 TYR 223 31.312 58.610 37.458 1.00 0.00 H +ATOM 3422 CE1 TYR 223 29.930 57.310 38.350 1.00 0.00 C +ATOM 3423 HE1 TYR 223 30.430 56.420 38.000 1.00 0.00 H +ATOM 3424 CZ TYR 223 28.730 57.240 39.040 1.00 0.00 C +ATOM 3425 OH TYR 223 28.180 55.980 39.190 1.00 0.00 O +ATOM 3426 HH TYR 223 28.190 55.890 40.146 1.00 0.00 H +ATOM 3427 CD2 TYR 223 28.630 59.670 39.160 1.00 0.00 C +ATOM 3428 HD2 TYR 223 28.142 60.596 39.428 1.00 0.00 H +ATOM 3429 CE2 TYR 223 28.080 58.420 39.470 1.00 0.00 C +ATOM 3430 HE2 TYR 223 27.116 58.252 39.928 1.00 0.00 H +ATOM 3431 C TYR 223 32.280 62.570 37.370 1.00 0.00 C +ATOM 3432 O TYR 223 32.740 62.270 36.280 1.00 0.00 O +ATOM 3433 N ASN 224 31.980 63.870 37.660 1.00 0.00 N +ATOM 3434 HN ASN 224 31.600 64.110 38.550 1.00 0.00 H +ATOM 3435 CA ASN 224 32.370 64.980 36.750 1.00 0.00 C +ATOM 3436 HA ASN 224 32.060 64.670 35.762 1.00 0.00 H +ATOM 3437 CB ASN 224 31.870 66.390 37.100 1.00 0.00 C +ATOM 3438 HB1 ASN 224 32.258 66.690 38.098 1.00 0.00 H +ATOM 3439 HB2 ASN 224 32.288 67.206 36.472 1.00 0.00 H +ATOM 3440 CG ASN 224 30.390 66.330 37.140 1.00 0.00 C +ATOM 3441 OD1 ASN 224 29.670 65.410 36.760 1.00 0.00 O +ATOM 3442 ND2 ASN 224 29.840 67.530 37.560 1.00 0.00 N +ATOM 3443 1HD2 ASN 224 30.460 68.310 37.630 1.00 0.00 H +ATOM 3444 2HD2 ASN 224 28.856 67.690 37.490 1.00 0.00 H +ATOM 3445 C ASN 224 33.880 65.130 36.540 1.00 0.00 C +ATOM 3446 O ASN 224 34.320 65.310 35.390 1.00 0.00 O +ATOM 3447 N GLU 225 34.650 65.110 37.650 1.00 0.00 N +ATOM 3448 HN GLU 225 34.172 64.990 38.516 1.00 0.00 H +ATOM 3449 CA GLU 225 36.090 65.110 37.710 1.00 0.00 C +ATOM 3450 HA GLU 225 36.452 66.016 37.248 1.00 0.00 H +ATOM 3451 CB GLU 225 36.500 65.000 39.170 1.00 0.00 C +ATOM 3452 HB1 GLU 225 36.118 65.914 39.672 1.00 0.00 H +ATOM 3453 HB2 GLU 225 36.022 64.074 39.558 1.00 0.00 H +ATOM 3454 CG GLU 225 38.040 65.030 39.330 1.00 0.00 C +ATOM 3455 HG1 GLU 225 38.530 64.108 38.950 1.00 0.00 H +ATOM 3456 HG2 GLU 225 38.450 65.910 38.790 1.00 0.00 H +ATOM 3457 CD GLU 225 38.530 65.270 40.750 1.00 0.00 C +ATOM 3458 OE1 GLU 225 39.410 64.550 41.270 1.00 0.00 O +ATOM 3459 OE2 GLU 225 38.020 66.230 41.370 1.00 0.00 O +ATOM 3460 C GLU 225 36.750 63.990 36.880 1.00 0.00 C +ATOM 3461 O GLU 225 37.610 64.260 36.040 1.00 0.00 O +ATOM 3462 N ILE 226 36.260 62.710 36.950 1.00 0.00 N +ATOM 3463 HN ILE 226 35.610 62.510 37.680 1.00 0.00 H +ATOM 3464 CA ILE 226 36.400 61.640 35.970 1.00 0.00 C +ATOM 3465 HA ILE 226 37.394 61.252 36.140 1.00 0.00 H +ATOM 3466 CB ILE 226 35.610 60.320 36.260 1.00 0.00 C +ATOM 3467 HB ILE 226 34.534 60.592 36.290 1.00 0.00 H +ATOM 3468 CG2 ILE 226 36.000 59.310 35.100 1.00 0.00 C +ATOM 3469 1HG2 ILE 226 35.472 58.344 35.250 1.00 0.00 H +ATOM 3470 2HG2 ILE 226 35.540 59.710 34.170 1.00 0.00 H +ATOM 3471 3HG2 ILE 226 37.086 59.150 34.920 1.00 0.00 H +ATOM 3472 CG1 ILE 226 35.940 59.630 37.570 1.00 0.00 C +ATOM 3473 1HG1 ILE 226 36.934 59.162 37.400 1.00 0.00 H +ATOM 3474 2HG1 ILE 226 36.060 60.348 38.408 1.00 0.00 H +ATOM 3475 CD ILE 226 34.920 58.550 37.970 1.00 0.00 C +ATOM 3476 HD1 ILE 226 33.888 58.960 37.960 1.00 0.00 H +ATOM 3477 HD2 ILE 226 34.980 57.602 37.392 1.00 0.00 H +ATOM 3478 HD3 ILE 226 34.960 58.152 39.006 1.00 0.00 H +ATOM 3479 C ILE 226 36.360 62.060 34.480 1.00 0.00 C +ATOM 3480 O ILE 226 37.400 62.040 33.860 1.00 0.00 O +ATOM 3481 N LEU 227 35.230 62.590 33.950 1.00 0.00 N +ATOM 3482 HN LEU 227 34.448 62.800 34.532 1.00 0.00 H +ATOM 3483 CA LEU 227 35.140 62.790 32.490 1.00 0.00 C +ATOM 3484 HA LEU 227 35.430 61.848 32.050 1.00 0.00 H +ATOM 3485 CB LEU 227 33.650 63.110 32.030 1.00 0.00 C +ATOM 3486 HB1 LEU 227 33.400 64.076 32.518 1.00 0.00 H +ATOM 3487 HB2 LEU 227 33.650 63.290 30.934 1.00 0.00 H +ATOM 3488 CG LEU 227 32.630 62.080 32.610 1.00 0.00 C +ATOM 3489 HG LEU 227 32.800 62.030 33.708 1.00 0.00 H +ATOM 3490 CD1 LEU 227 31.220 62.660 32.520 1.00 0.00 C +ATOM 3491 1HD1 LEU 227 30.590 62.110 33.250 1.00 0.00 H +ATOM 3492 2HD1 LEU 227 31.010 63.748 32.610 1.00 0.00 H +ATOM 3493 3HD1 LEU 227 30.822 62.510 31.494 1.00 0.00 H +ATOM 3494 CD2 LEU 227 32.810 60.670 31.990 1.00 0.00 C +ATOM 3495 1HD2 LEU 227 33.704 60.138 32.382 1.00 0.00 H +ATOM 3496 2HD2 LEU 227 31.962 59.970 32.150 1.00 0.00 H +ATOM 3497 3HD2 LEU 227 32.860 60.750 30.882 1.00 0.00 H +ATOM 3498 C LEU 227 35.990 63.930 31.950 1.00 0.00 C +ATOM 3499 O LEU 227 36.370 64.010 30.770 1.00 0.00 O +ATOM 3500 N ASN 228 36.280 64.930 32.880 1.00 0.00 N +ATOM 3501 HN ASN 228 35.850 64.820 33.772 1.00 0.00 H +ATOM 3502 CA ASN 228 36.920 66.190 32.560 1.00 0.00 C +ATOM 3503 HA ASN 228 36.830 66.370 31.500 1.00 0.00 H +ATOM 3504 CB ASN 228 36.270 67.330 33.310 1.00 0.00 C +ATOM 3505 HB1 ASN 228 36.270 67.082 34.394 1.00 0.00 H +ATOM 3506 HB2 ASN 228 36.832 68.284 33.230 1.00 0.00 H +ATOM 3507 CG ASN 228 34.860 67.540 32.790 1.00 0.00 C +ATOM 3508 OD1 ASN 228 34.710 67.930 31.600 1.00 0.00 O +ATOM 3509 ND2 ASN 228 33.790 67.440 33.630 1.00 0.00 N +ATOM 3510 1HD2 ASN 228 33.910 66.956 34.496 1.00 0.00 H +ATOM 3511 2HD2 ASN 228 32.894 67.878 33.540 1.00 0.00 H +ATOM 3512 C ASN 228 38.390 66.230 32.910 1.00 0.00 C +ATOM 3513 O ASN 228 39.120 67.170 32.570 1.00 0.00 O +ATOM 3514 N SER 229 38.880 65.030 33.480 1.00 0.00 N +ATOM 3515 HN SER 229 38.230 64.328 33.760 1.00 0.00 H +ATOM 3516 CA SER 229 40.300 64.790 33.660 1.00 0.00 C +ATOM 3517 HA SER 229 40.610 65.628 34.268 1.00 0.00 H +ATOM 3518 CB SER 229 40.610 63.430 34.410 1.00 0.00 C +ATOM 3519 HB1 SER 229 41.648 63.320 34.790 1.00 0.00 H +ATOM 3520 HB2 SER 229 39.860 63.460 35.230 1.00 0.00 H +ATOM 3521 OG SER 229 40.230 62.370 33.560 1.00 0.00 O +ATOM 3522 HG1 SER 229 39.274 62.420 33.640 1.00 0.00 H +ATOM 3523 C SER 229 41.050 64.820 32.360 1.00 0.00 C +ATOM 3524 O SER 229 40.420 64.530 31.360 1.00 0.00 O +ATOM 3525 N PRO 230 42.340 65.120 32.390 1.00 0.00 N +ATOM 3526 CD PRO 230 42.930 65.980 33.450 1.00 0.00 C +ATOM 3527 HD1 PRO 230 43.470 65.510 34.300 1.00 0.00 H +ATOM 3528 HD2 PRO 230 42.212 66.738 33.830 1.00 0.00 H +ATOM 3529 CA PRO 230 43.230 65.070 31.220 1.00 0.00 C +ATOM 3530 HA PRO 230 42.850 65.810 30.530 1.00 0.00 H +ATOM 3531 CB PRO 230 44.500 65.550 31.740 1.00 0.00 C +ATOM 3532 HB1 PRO 230 45.154 64.806 32.242 1.00 0.00 H +ATOM 3533 HB2 PRO 230 45.044 66.022 30.894 1.00 0.00 H +ATOM 3534 CG PRO 230 44.070 66.640 32.720 1.00 0.00 C +ATOM 3535 HG1 PRO 230 44.976 66.790 33.344 1.00 0.00 H +ATOM 3536 HG2 PRO 230 43.710 67.608 32.310 1.00 0.00 H +ATOM 3537 C PRO 230 43.400 63.590 30.730 1.00 0.00 C +ATOM 3538 O PRO 230 43.580 63.420 29.500 1.00 0.00 O +ATOM 3539 N GLY 231 43.400 62.590 31.640 1.00 0.00 N +ATOM 3540 HN GLY 231 43.350 62.740 32.624 1.00 0.00 H +ATOM 3541 CA GLY 231 43.730 61.180 31.380 1.00 0.00 C +ATOM 3542 HA1 GLY 231 44.682 60.990 30.908 1.00 0.00 H +ATOM 3543 HA2 GLY 231 43.730 60.758 32.374 1.00 0.00 H +ATOM 3544 C GLY 231 42.650 60.490 30.580 1.00 0.00 C +ATOM 3545 O GLY 231 42.860 59.510 29.810 1.00 0.00 O +ATOM 3546 N TYR 232 41.380 60.920 30.830 1.00 0.00 N +ATOM 3547 HN TYR 232 41.218 61.606 31.536 1.00 0.00 H +ATOM 3548 CA TYR 232 40.180 60.300 30.290 1.00 0.00 C +ATOM 3549 HA TYR 232 40.200 59.284 30.658 1.00 0.00 H +ATOM 3550 CB TYR 232 38.860 60.960 30.850 1.00 0.00 C +ATOM 3551 HB1 TYR 232 38.860 60.990 31.962 1.00 0.00 H +ATOM 3552 HB2 TYR 232 38.760 62.014 30.512 1.00 0.00 H +ATOM 3553 CG TYR 232 37.650 60.150 30.460 1.00 0.00 C +ATOM 3554 CD1 TYR 232 36.810 60.480 29.330 1.00 0.00 C +ATOM 3555 HD1 TYR 232 37.100 61.220 28.600 1.00 0.00 H +ATOM 3556 CE1 TYR 232 35.600 59.790 29.100 1.00 0.00 C +ATOM 3557 HE1 TYR 232 34.992 60.000 28.232 1.00 0.00 H +ATOM 3558 CZ TYR 232 35.110 58.890 30.050 1.00 0.00 C +ATOM 3559 OH TYR 232 33.800 58.300 29.860 1.00 0.00 O +ATOM 3560 HH TYR 232 33.512 57.882 30.676 1.00 0.00 H +ATOM 3561 CD2 TYR 232 37.130 59.150 31.380 1.00 0.00 C +ATOM 3562 HD2 TYR 232 37.676 58.802 32.244 1.00 0.00 H +ATOM 3563 CE2 TYR 232 35.870 58.550 31.130 1.00 0.00 C +ATOM 3564 HE2 TYR 232 35.508 57.856 31.874 1.00 0.00 H +ATOM 3565 C TYR 232 40.170 60.080 28.770 1.00 0.00 C +ATOM 3566 O TYR 232 39.970 58.980 28.300 1.00 0.00 O +ATOM 3567 N PRO 233 40.420 61.000 27.840 1.00 0.00 N +ATOM 3568 CD PRO 233 40.560 62.410 28.090 1.00 0.00 C +ATOM 3569 HD1 PRO 233 41.610 62.610 28.390 1.00 0.00 H +ATOM 3570 HD2 PRO 233 39.800 62.800 28.800 1.00 0.00 H +ATOM 3571 CA PRO 233 40.510 60.650 26.420 1.00 0.00 C +ATOM 3572 HA PRO 233 39.500 60.440 26.100 1.00 0.00 H +ATOM 3573 CB PRO 233 40.800 62.060 25.780 1.00 0.00 C +ATOM 3574 HB1 PRO 233 41.890 62.130 25.580 1.00 0.00 H +ATOM 3575 HB2 PRO 233 40.320 62.270 24.800 1.00 0.00 H +ATOM 3576 CG PRO 233 40.300 63.100 26.760 1.00 0.00 C +ATOM 3577 HG1 PRO 233 40.740 64.120 26.730 1.00 0.00 H +ATOM 3578 HG2 PRO 233 39.196 63.160 26.650 1.00 0.00 H +ATOM 3579 C PRO 233 41.430 59.520 26.030 1.00 0.00 C +ATOM 3580 O PRO 233 41.060 58.730 25.160 1.00 0.00 O +ATOM 3581 N PHE 234 42.690 59.320 26.580 1.00 0.00 N +ATOM 3582 HN PHE 234 43.140 59.880 27.270 1.00 0.00 H +ATOM 3583 CA PHE 234 43.580 58.230 26.230 1.00 0.00 C +ATOM 3584 HA PHE 234 43.410 58.020 25.186 1.00 0.00 H +ATOM 3585 CB PHE 234 45.110 58.630 26.530 1.00 0.00 C +ATOM 3586 HB1 PHE 234 45.280 59.572 25.968 1.00 0.00 H +ATOM 3587 HB2 PHE 234 45.260 58.760 27.622 1.00 0.00 H +ATOM 3588 CG PHE 234 46.040 57.590 26.060 1.00 0.00 C +ATOM 3589 CD1 PHE 234 47.060 57.110 26.890 1.00 0.00 C +ATOM 3590 HD1 PHE 234 47.120 57.280 27.954 1.00 0.00 H +ATOM 3591 CE1 PHE 234 48.060 56.300 26.400 1.00 0.00 C +ATOM 3592 HE1 PHE 234 48.960 56.050 26.940 1.00 0.00 H +ATOM 3593 CZ PHE 234 48.060 56.010 25.020 1.00 0.00 C +ATOM 3594 HZ PHE 234 48.880 55.480 24.560 1.00 0.00 H +ATOM 3595 CD2 PHE 234 46.100 57.320 24.680 1.00 0.00 C +ATOM 3596 HD2 PHE 234 45.304 57.618 24.014 1.00 0.00 H +ATOM 3597 CE2 PHE 234 47.070 56.490 24.110 1.00 0.00 C +ATOM 3598 HE2 PHE 234 47.180 56.400 23.040 1.00 0.00 H +ATOM 3599 C PHE 234 43.230 56.930 26.990 1.00 0.00 C +ATOM 3600 O PHE 234 43.580 55.810 26.510 1.00 0.00 O +ATOM 3601 N TRP 235 42.520 57.100 28.090 1.00 0.00 N +ATOM 3602 HN TRP 235 42.330 58.058 28.290 1.00 0.00 H +ATOM 3603 CA TRP 235 41.750 56.050 28.730 1.00 0.00 C +ATOM 3604 HA TRP 235 42.398 55.202 28.890 1.00 0.00 H +ATOM 3605 CB TRP 235 41.180 56.520 30.120 1.00 0.00 C +ATOM 3606 HB1 TRP 235 41.980 56.950 30.760 1.00 0.00 H +ATOM 3607 HB2 TRP 235 40.304 57.186 29.960 1.00 0.00 H +ATOM 3608 CG TRP 235 40.710 55.330 30.900 1.00 0.00 C +ATOM 3609 CD1 TRP 235 39.450 54.810 30.840 1.00 0.00 C +ATOM 3610 HD1 TRP 235 38.564 55.314 30.488 1.00 0.00 H +ATOM 3611 NE1 TRP 235 39.470 53.620 31.630 1.00 0.00 N +ATOM 3612 HE1 TRP 235 38.690 53.040 31.710 1.00 0.00 H +ATOM 3613 CE2 TRP 235 40.760 53.340 32.010 1.00 0.00 C +ATOM 3614 CD2 TRP 235 41.550 54.400 31.530 1.00 0.00 C +ATOM 3615 CE3 TRP 235 42.950 54.320 31.720 1.00 0.00 C +ATOM 3616 HE3 TRP 235 43.630 55.100 31.410 1.00 0.00 H +ATOM 3617 CZ3 TRP 235 43.500 53.140 32.240 1.00 0.00 C +ATOM 3618 HZ3 TRP 235 44.542 53.150 32.520 1.00 0.00 H +ATOM 3619 CZ2 TRP 235 41.260 52.250 32.640 1.00 0.00 C +ATOM 3620 HZ2 TRP 235 40.590 51.432 32.860 1.00 0.00 H +ATOM 3621 CH2 TRP 235 42.680 52.060 32.670 1.00 0.00 C +ATOM 3622 HH2 TRP 235 43.082 51.238 33.242 1.00 0.00 H +ATOM 3623 C TRP 235 40.640 55.510 27.800 1.00 0.00 C +ATOM 3624 O TRP 235 40.540 54.290 27.560 1.00 0.00 O +ATOM 3625 N LYS 236 39.790 56.350 27.250 1.00 0.00 N +ATOM 3626 HN LYS 236 39.830 57.314 27.500 1.00 0.00 H +ATOM 3627 CA LYS 236 38.740 55.970 26.270 1.00 0.00 C +ATOM 3628 HA LYS 236 38.240 55.110 26.690 1.00 0.00 H +ATOM 3629 CB LYS 236 37.760 57.140 25.980 1.00 0.00 C +ATOM 3630 HB1 LYS 236 38.456 57.994 25.830 1.00 0.00 H +ATOM 3631 HB2 LYS 236 37.340 56.960 24.968 1.00 0.00 H +ATOM 3632 CG LYS 236 36.700 57.300 27.010 1.00 0.00 C +ATOM 3633 HG1 LYS 236 37.158 57.160 28.014 1.00 0.00 H +ATOM 3634 HG2 LYS 236 36.368 58.358 26.950 1.00 0.00 H +ATOM 3635 CD LYS 236 35.440 56.390 27.040 1.00 0.00 C +ATOM 3636 HD1 LYS 236 35.812 55.344 27.080 1.00 0.00 H +ATOM 3637 HD2 LYS 236 34.778 56.740 27.862 1.00 0.00 H +ATOM 3638 CE LYS 236 34.570 56.540 25.800 1.00 0.00 C +ATOM 3639 HE1 LYS 236 34.460 57.630 25.620 1.00 0.00 H +ATOM 3640 HE2 LYS 236 35.160 56.130 24.952 1.00 0.00 H +ATOM 3641 NZ LYS 236 33.310 55.800 25.870 1.00 0.00 N +ATOM 3642 HZ1 LYS 236 33.522 54.782 25.830 1.00 0.00 H +ATOM 3643 HZ2 LYS 236 32.730 56.040 26.700 1.00 0.00 H +ATOM 3644 HZ3 LYS 236 32.758 55.910 24.996 1.00 0.00 H +ATOM 3645 C LYS 236 39.350 55.300 25.020 1.00 0.00 C +ATOM 3646 O LYS 236 38.810 54.230 24.700 1.00 0.00 O +ATOM 3647 N ARG 237 40.380 55.820 24.390 1.00 0.00 N +ATOM 3648 HN ARG 237 40.650 56.740 24.660 1.00 0.00 H +ATOM 3649 CA ARG 237 41.240 55.140 23.530 1.00 0.00 C +ATOM 3650 HA ARG 237 40.680 55.090 22.608 1.00 0.00 H +ATOM 3651 CB ARG 237 42.360 56.040 23.070 1.00 0.00 C +ATOM 3652 HB1 ARG 237 42.908 56.370 23.978 1.00 0.00 H +ATOM 3653 HB2 ARG 237 43.108 55.512 22.442 1.00 0.00 H +ATOM 3654 CG ARG 237 41.810 57.280 22.220 1.00 0.00 C +ATOM 3655 HG1 ARG 237 41.270 56.910 21.322 1.00 0.00 H +ATOM 3656 HG2 ARG 237 41.128 57.820 22.912 1.00 0.00 H +ATOM 3657 CD ARG 237 42.900 58.180 21.680 1.00 0.00 C +ATOM 3658 HD1 ARG 237 42.336 58.896 21.046 1.00 0.00 H +ATOM 3659 HD2 ARG 237 43.390 58.730 22.512 1.00 0.00 H +ATOM 3660 NE ARG 237 43.950 57.280 21.010 1.00 0.00 N +ATOM 3661 HE ARG 237 43.648 56.366 20.738 1.00 0.00 H +ATOM 3662 CZ ARG 237 45.270 57.550 20.890 1.00 0.00 C +ATOM 3663 NH1 ARG 237 45.790 58.700 21.320 1.00 0.00 N +ATOM 3664 1HH1 ARG 237 45.360 59.400 21.890 1.00 0.00 H +ATOM 3665 2HH1 ARG 237 46.788 58.660 21.380 1.00 0.00 H +ATOM 3666 NH2 ARG 237 45.980 56.650 20.280 1.00 0.00 N +ATOM 3667 1HH2 ARG 237 45.620 55.722 20.180 1.00 0.00 H +ATOM 3668 2HH2 ARG 237 46.968 56.790 20.340 1.00 0.00 H +ATOM 3669 C ARG 237 41.790 53.720 23.920 1.00 0.00 C +ATOM 3670 O ARG 237 41.530 52.810 23.140 1.00 0.00 O +ATOM 3671 N GLN 238 42.640 53.630 24.970 1.00 0.00 N +ATOM 3672 HN GLN 238 42.820 54.352 25.632 1.00 0.00 H +ATOM 3673 CA GLN 238 43.460 52.420 25.210 1.00 0.00 C +ATOM 3674 HA GLN 238 43.390 51.668 24.438 1.00 0.00 H +ATOM 3675 CB GLN 238 44.980 52.780 25.080 1.00 0.00 C +ATOM 3676 HB1 GLN 238 45.360 53.620 25.700 1.00 0.00 H +ATOM 3677 HB2 GLN 238 45.590 51.890 25.350 1.00 0.00 H +ATOM 3678 CG GLN 238 45.280 53.140 23.560 1.00 0.00 C +ATOM 3679 HG1 GLN 238 44.710 52.540 22.820 1.00 0.00 H +ATOM 3680 HG2 GLN 238 44.922 54.176 23.370 1.00 0.00 H +ATOM 3681 CD GLN 238 46.840 53.140 23.280 1.00 0.00 C +ATOM 3682 OE1 GLN 238 47.780 52.980 24.050 1.00 0.00 O +ATOM 3683 NE2 GLN 238 47.160 53.530 22.030 1.00 0.00 N +ATOM 3684 1HE2 GLN 238 46.480 53.990 21.460 1.00 0.00 H +ATOM 3685 2HE2 GLN 238 48.014 53.290 21.568 1.00 0.00 H +ATOM 3686 C GLN 238 43.280 51.730 26.520 1.00 0.00 C +ATOM 3687 O GLN 238 43.900 50.710 26.670 1.00 0.00 O +ATOM 3688 N GLY 239 42.560 52.240 27.530 1.00 0.00 N +ATOM 3689 HN GLY 239 41.996 53.054 27.420 1.00 0.00 H +ATOM 3690 CA GLY 239 42.510 51.570 28.840 1.00 0.00 C +ATOM 3691 HA1 GLY 239 42.072 52.326 29.476 1.00 0.00 H +ATOM 3692 HA2 GLY 239 41.970 50.640 28.730 1.00 0.00 H +ATOM 3693 C GLY 239 43.870 51.210 29.510 1.00 0.00 C +ATOM 3694 O GLY 239 44.780 52.040 29.470 1.00 0.00 O +ATOM 3695 N THR 240 44.000 49.930 29.990 1.00 0.00 N +ATOM 3696 HN THR 240 43.262 49.262 30.060 1.00 0.00 H +ATOM 3697 CA THR 240 45.300 49.460 30.460 1.00 0.00 C +ATOM 3698 HA THR 240 45.690 50.260 31.070 1.00 0.00 H +ATOM 3699 CB THR 240 45.190 48.190 31.490 1.00 0.00 C +ATOM 3700 HB THR 240 46.162 47.738 31.780 1.00 0.00 H +ATOM 3701 OG1 THR 240 44.300 47.120 31.010 1.00 0.00 O +ATOM 3702 HG1 THR 240 44.700 46.470 31.590 1.00 0.00 H +ATOM 3703 CG2 THR 240 44.430 48.690 32.730 1.00 0.00 C +ATOM 3704 1HG2 THR 240 43.482 49.240 32.550 1.00 0.00 H +ATOM 3705 2HG2 THR 240 44.300 47.812 33.398 1.00 0.00 H +ATOM 3706 3HG2 THR 240 45.028 49.468 33.250 1.00 0.00 H +ATOM 3707 C THR 240 46.240 49.060 29.340 1.00 0.00 C +ATOM 3708 O THR 240 47.400 48.750 29.600 1.00 0.00 O +ATOM 3709 N MET 241 45.870 48.950 28.030 1.00 0.00 N +ATOM 3710 HN MET 241 45.032 49.378 27.700 1.00 0.00 H +ATOM 3711 CA MET 241 46.660 48.420 26.950 1.00 0.00 C +ATOM 3712 HA MET 241 47.130 47.512 27.300 1.00 0.00 H +ATOM 3713 CB MET 241 45.830 47.990 25.780 1.00 0.00 C +ATOM 3714 HB1 MET 241 45.048 48.772 25.670 1.00 0.00 H +ATOM 3715 HB2 MET 241 46.362 47.950 24.806 1.00 0.00 H +ATOM 3716 CG MET 241 45.220 46.560 26.030 1.00 0.00 C +ATOM 3717 HG1 MET 241 44.810 46.480 27.060 1.00 0.00 H +ATOM 3718 HG2 MET 241 44.340 46.340 25.390 1.00 0.00 H +ATOM 3719 SD MET 241 46.420 45.220 25.930 1.00 0.00 S +ATOM 3720 CE MET 241 47.080 45.480 24.280 1.00 0.00 C +ATOM 3721 HE1 MET 241 47.700 46.400 24.230 1.00 0.00 H +ATOM 3722 HE2 MET 241 47.682 44.638 23.878 1.00 0.00 H +ATOM 3723 HE3 MET 241 46.224 45.520 23.572 1.00 0.00 H +ATOM 3724 C MET 241 47.760 49.390 26.580 1.00 0.00 C +ATOM 3725 O MET 241 48.660 49.070 25.810 1.00 0.00 O +ATOM 3726 N ALA 242 47.700 50.590 27.080 1.00 0.00 N +ATOM 3727 HN ALA 242 46.870 50.860 27.560 1.00 0.00 H +ATOM 3728 CA ALA 242 48.630 51.720 27.140 1.00 0.00 C +ATOM 3729 HA ALA 242 48.832 52.082 26.144 1.00 0.00 H +ATOM 3730 CB ALA 242 47.930 52.770 27.950 1.00 0.00 C +ATOM 3731 HB1 ALA 242 48.460 53.740 27.850 1.00 0.00 H +ATOM 3732 HB2 ALA 242 46.886 52.960 27.622 1.00 0.00 H +ATOM 3733 HB3 ALA 242 47.970 52.490 29.024 1.00 0.00 H +ATOM 3734 C ALA 242 50.020 51.320 27.690 1.00 0.00 C +ATOM 3735 O ALA 242 51.030 51.930 27.400 1.00 0.00 O +ATOM 3736 N ALA 243 50.010 50.240 28.630 1.00 0.00 N +ATOM 3737 HN ALA 243 49.200 49.750 28.940 1.00 0.00 H +ATOM 3738 CA ALA 243 51.180 49.690 29.260 1.00 0.00 C +ATOM 3739 HA ALA 243 51.812 50.542 29.460 1.00 0.00 H +ATOM 3740 CB ALA 243 50.750 49.020 30.610 1.00 0.00 C +ATOM 3741 HB1 ALA 243 50.040 48.190 30.410 1.00 0.00 H +ATOM 3742 HB2 ALA 243 51.680 48.690 31.120 1.00 0.00 H +ATOM 3743 HB3 ALA 243 50.168 49.802 31.142 1.00 0.00 H +ATOM 3744 C ALA 243 51.990 48.780 28.340 1.00 0.00 C +ATOM 3745 O ALA 243 53.180 48.540 28.630 1.00 0.00 O +ATOM 3746 N VAL 244 51.450 48.230 27.220 1.00 0.00 N +ATOM 3747 HN VAL 244 50.488 48.360 26.990 1.00 0.00 H +ATOM 3748 CA VAL 244 52.270 47.470 26.280 1.00 0.00 C +ATOM 3749 HA VAL 244 52.750 46.690 26.850 1.00 0.00 H +ATOM 3750 CB VAL 244 51.420 46.800 25.170 1.00 0.00 C +ATOM 3751 HB VAL 244 50.880 47.530 24.530 1.00 0.00 H +ATOM 3752 CG1 VAL 244 52.350 45.950 24.300 1.00 0.00 C +ATOM 3753 1HG1 VAL 244 51.880 45.290 23.540 1.00 0.00 H +ATOM 3754 2HG1 VAL 244 52.924 46.676 23.686 1.00 0.00 H +ATOM 3755 3HG1 VAL 244 52.948 45.282 24.958 1.00 0.00 H +ATOM 3756 CG2 VAL 244 50.410 45.780 25.720 1.00 0.00 C +ATOM 3757 1HG2 VAL 244 49.830 45.270 24.920 1.00 0.00 H +ATOM 3758 2HG2 VAL 244 50.908 45.044 26.386 1.00 0.00 H +ATOM 3759 3HG2 VAL 244 49.588 46.250 26.300 1.00 0.00 H +ATOM 3760 C VAL 244 53.500 48.180 25.820 1.00 0.00 C +ATOM 3761 O VAL 244 54.620 47.690 25.970 1.00 0.00 O +ATOM 3762 N GLU 245 53.410 49.400 25.230 1.00 0.00 N +ATOM 3763 HN GLU 245 52.510 49.750 24.980 1.00 0.00 H +ATOM 3764 CA GLU 245 54.550 50.160 24.880 1.00 0.00 C +ATOM 3765 HA GLU 245 55.150 49.600 24.180 1.00 0.00 H +ATOM 3766 CB GLU 245 54.160 51.420 24.130 1.00 0.00 C +ATOM 3767 HB1 GLU 245 53.586 51.208 23.204 1.00 0.00 H +ATOM 3768 HB2 GLU 245 53.404 51.928 24.766 1.00 0.00 H +ATOM 3769 CG GLU 245 55.280 52.400 23.820 1.00 0.00 C +ATOM 3770 HG1 GLU 245 55.750 52.810 24.740 1.00 0.00 H +ATOM 3771 HG2 GLU 245 56.042 51.838 23.238 1.00 0.00 H +ATOM 3772 CD GLU 245 54.700 53.550 22.960 1.00 0.00 C +ATOM 3773 OE1 GLU 245 55.140 53.870 21.850 1.00 0.00 O +ATOM 3774 OE2 GLU 245 53.830 54.200 23.550 1.00 0.00 O +ATOM 3775 C GLU 245 55.380 50.550 26.080 1.00 0.00 C +ATOM 3776 O GLU 245 56.620 50.480 26.030 1.00 0.00 O +ATOM 3777 N TRP 246 54.740 51.000 27.210 1.00 0.00 N +ATOM 3778 HN TRP 246 53.770 50.900 27.418 1.00 0.00 H +ATOM 3779 CA TRP 246 55.440 51.520 28.350 1.00 0.00 C +ATOM 3780 HA TRP 246 56.146 52.196 27.892 1.00 0.00 H +ATOM 3781 CB TRP 246 54.390 52.230 29.200 1.00 0.00 C +ATOM 3782 HB1 TRP 246 54.082 53.116 28.604 1.00 0.00 H +ATOM 3783 HB2 TRP 246 53.462 51.682 29.470 1.00 0.00 H +ATOM 3784 CG TRP 246 54.920 52.760 30.470 1.00 0.00 C +ATOM 3785 CD1 TRP 246 55.470 53.920 30.780 1.00 0.00 C +ATOM 3786 HD1 TRP 246 55.778 54.766 30.182 1.00 0.00 H +ATOM 3787 NE1 TRP 246 55.670 54.030 32.180 1.00 0.00 N +ATOM 3788 HE1 TRP 246 55.830 54.758 32.810 1.00 0.00 H +ATOM 3789 CE2 TRP 246 55.100 52.940 32.720 1.00 0.00 C +ATOM 3790 CD2 TRP 246 54.750 52.060 31.710 1.00 0.00 C +ATOM 3791 CE3 TRP 246 54.260 50.780 32.030 1.00 0.00 C +ATOM 3792 HE3 TRP 246 54.058 50.026 31.286 1.00 0.00 H +ATOM 3793 CZ3 TRP 246 54.000 50.460 33.330 1.00 0.00 C +ATOM 3794 HZ3 TRP 246 53.630 49.458 33.490 1.00 0.00 H +ATOM 3795 CZ2 TRP 246 55.100 52.530 34.000 1.00 0.00 C +ATOM 3796 HZ2 TRP 246 55.736 53.126 34.636 1.00 0.00 H +ATOM 3797 CH2 TRP 246 54.510 51.290 34.360 1.00 0.00 C +ATOM 3798 HH2 TRP 246 54.340 50.970 35.378 1.00 0.00 H +ATOM 3799 C TRP 246 56.320 50.510 29.060 1.00 0.00 C +ATOM 3800 O TRP 246 57.450 50.830 29.460 1.00 0.00 O +ATOM 3801 N CYS 247 55.860 49.300 29.180 1.00 0.00 N +ATOM 3802 HN CYS 247 54.932 49.178 28.838 1.00 0.00 H +ATOM 3803 CA CYS 247 56.490 48.240 29.860 1.00 0.00 C +ATOM 3804 HA CYS 247 56.898 48.618 30.786 1.00 0.00 H +ATOM 3805 CB CYS 247 55.640 47.030 30.220 1.00 0.00 C +ATOM 3806 HB1 CYS 247 55.180 46.570 29.320 1.00 0.00 H +ATOM 3807 HB2 CYS 247 56.260 46.210 30.640 1.00 0.00 H +ATOM 3808 SG CYS 247 54.360 47.360 31.420 1.00 0.00 S +ATOM 3809 HG1 CYS 247 53.738 46.198 31.290 1.00 0.00 H +ATOM 3810 C CYS 247 57.720 47.750 29.040 1.00 0.00 C +ATOM 3811 O CYS 247 58.830 47.610 29.500 1.00 0.00 O +ATOM 3812 N ASN 248 57.480 47.640 27.700 1.00 0.00 N +ATOM 3813 HN ASN 248 56.572 47.800 27.320 1.00 0.00 H +ATOM 3814 CA ASN 248 58.610 47.440 26.730 1.00 0.00 C +ATOM 3815 HA ASN 248 59.188 46.562 26.980 1.00 0.00 H +ATOM 3816 CB ASN 248 57.900 47.170 25.330 1.00 0.00 C +ATOM 3817 HB1 ASN 248 56.934 46.632 25.440 1.00 0.00 H +ATOM 3818 HB2 ASN 248 57.590 48.168 24.950 1.00 0.00 H +ATOM 3819 CG ASN 248 58.910 46.470 24.480 1.00 0.00 C +ATOM 3820 OD1 ASN 248 59.040 45.270 24.660 1.00 0.00 O +ATOM 3821 ND2 ASN 248 59.470 47.210 23.460 1.00 0.00 N +ATOM 3822 1HD2 ASN 248 59.300 48.188 23.340 1.00 0.00 H +ATOM 3823 2HD2 ASN 248 59.930 46.618 22.798 1.00 0.00 H +ATOM 3824 C ASN 248 59.650 48.650 26.730 1.00 0.00 C +ATOM 3825 O ASN 248 60.870 48.460 26.570 1.00 0.00 O +ATOM 3826 N THR 249 59.230 49.880 26.830 1.00 0.00 N +ATOM 3827 HN THR 249 58.256 50.090 26.840 1.00 0.00 H +ATOM 3828 CA THR 249 60.130 51.040 26.960 1.00 0.00 C +ATOM 3829 HA THR 249 60.792 51.070 26.108 1.00 0.00 H +ATOM 3830 CB THR 249 59.390 52.390 27.010 1.00 0.00 C +ATOM 3831 HB THR 249 58.748 52.490 27.912 1.00 0.00 H +ATOM 3832 OG1 THR 249 58.530 52.500 25.870 1.00 0.00 O +ATOM 3833 HG1 THR 249 57.790 51.900 25.980 1.00 0.00 H +ATOM 3834 CG2 THR 249 60.300 53.670 27.010 1.00 0.00 C +ATOM 3835 1HG2 THR 249 59.688 54.592 27.110 1.00 0.00 H +ATOM 3836 2HG2 THR 249 61.010 53.580 27.860 1.00 0.00 H +ATOM 3837 3HG2 THR 249 60.860 53.660 26.050 1.00 0.00 H +ATOM 3838 C THR 249 61.090 50.960 28.030 1.00 0.00 C +ATOM 3839 O THR 249 62.280 51.130 27.960 1.00 0.00 O +ATOM 3840 N ASN 250 60.560 50.550 29.210 1.00 0.00 N +ATOM 3841 HN ASN 250 59.584 50.370 29.310 1.00 0.00 H +ATOM 3842 CA ASN 250 61.200 50.490 30.510 1.00 0.00 C +ATOM 3843 HA ASN 250 61.898 51.308 30.620 1.00 0.00 H +ATOM 3844 CB ASN 250 60.140 50.990 31.600 1.00 0.00 C +ATOM 3845 HB1 ASN 250 59.214 50.382 31.680 1.00 0.00 H +ATOM 3846 HB2 ASN 250 60.640 50.950 32.590 1.00 0.00 H +ATOM 3847 CG ASN 250 59.870 52.450 31.260 1.00 0.00 C +ATOM 3848 OD1 ASN 250 60.710 53.230 30.990 1.00 0.00 O +ATOM 3849 ND2 ASN 250 58.580 52.780 31.200 1.00 0.00 N +ATOM 3850 1HD2 ASN 250 57.854 52.094 31.140 1.00 0.00 H +ATOM 3851 2HD2 ASN 250 58.342 53.716 30.942 1.00 0.00 H +ATOM 3852 C ASN 250 61.760 49.170 30.910 1.00 0.00 C +ATOM 3853 O ASN 250 62.260 49.000 32.000 1.00 0.00 O +ATOM 3854 N TYR 251 61.640 48.160 30.000 1.00 0.00 N +ATOM 3855 HN TYR 251 61.080 48.320 29.190 1.00 0.00 H +ATOM 3856 CA TYR 251 62.340 46.780 30.220 1.00 0.00 C +ATOM 3857 HA TYR 251 62.190 46.310 29.260 1.00 0.00 H +ATOM 3858 CB TYR 251 63.870 46.940 30.360 1.00 0.00 C +ATOM 3859 HB1 TYR 251 64.138 47.556 31.244 1.00 0.00 H +ATOM 3860 HB2 TYR 251 64.240 45.912 30.560 1.00 0.00 H +ATOM 3861 CG TYR 251 64.430 47.430 29.130 1.00 0.00 C +ATOM 3862 CD1 TYR 251 64.950 46.520 28.180 1.00 0.00 C +ATOM 3863 HD1 TYR 251 64.880 45.476 28.448 1.00 0.00 H +ATOM 3864 CE1 TYR 251 65.280 46.990 26.880 1.00 0.00 C +ATOM 3865 HE1 TYR 251 65.640 46.230 26.200 1.00 0.00 H +ATOM 3866 CZ TYR 251 65.330 48.330 26.590 1.00 0.00 C +ATOM 3867 OH TYR 251 65.760 48.690 25.320 1.00 0.00 O +ATOM 3868 HH TYR 251 66.248 47.944 24.962 1.00 0.00 H +ATOM 3869 CD2 TYR 251 64.390 48.810 28.790 1.00 0.00 C +ATOM 3870 HD2 TYR 251 63.958 49.562 29.432 1.00 0.00 H +ATOM 3871 CE2 TYR 251 64.960 49.200 27.590 1.00 0.00 C +ATOM 3872 HE2 TYR 251 65.070 50.254 27.380 1.00 0.00 H +ATOM 3873 C TYR 251 61.730 45.860 31.320 1.00 0.00 C +ATOM 3874 O TYR 251 62.410 45.090 31.980 1.00 0.00 O +ATOM 3875 N ALA 252 60.350 45.960 31.470 1.00 0.00 N +ATOM 3876 HN ALA 252 59.988 46.514 30.724 1.00 0.00 H +ATOM 3877 CA ALA 252 59.570 45.440 32.550 1.00 0.00 C +ATOM 3878 HA ALA 252 60.172 44.796 33.174 1.00 0.00 H +ATOM 3879 CB ALA 252 58.990 46.600 33.430 1.00 0.00 C +ATOM 3880 HB1 ALA 252 59.760 46.850 34.190 1.00 0.00 H +ATOM 3881 HB2 ALA 252 58.658 47.504 32.878 1.00 0.00 H +ATOM 3882 HB3 ALA 252 58.142 46.250 34.058 1.00 0.00 H +ATOM 3883 C ALA 252 58.380 44.700 31.890 1.00 0.00 C +ATOM 3884 O ALA 252 57.480 44.290 32.580 1.00 0.00 O +ATOM 3885 N LEU 253 58.420 44.390 30.530 1.00 0.00 N +ATOM 3886 HN LEU 253 59.182 44.700 29.968 1.00 0.00 H +ATOM 3887 CA LEU 253 57.450 43.580 29.850 1.00 0.00 C +ATOM 3888 HA LEU 253 56.482 43.770 30.290 1.00 0.00 H +ATOM 3889 CB LEU 253 57.340 44.000 28.350 1.00 0.00 C +ATOM 3890 HB1 LEU 253 56.908 45.014 28.220 1.00 0.00 H +ATOM 3891 HB2 LEU 253 58.368 43.990 27.930 1.00 0.00 H +ATOM 3892 CG LEU 253 56.310 43.190 27.450 1.00 0.00 C +ATOM 3893 HG LEU 253 56.410 42.088 27.540 1.00 0.00 H +ATOM 3894 CD1 LEU 253 54.890 43.510 28.030 1.00 0.00 C +ATOM 3895 1HD1 LEU 253 54.740 44.580 28.290 1.00 0.00 H +ATOM 3896 2HD1 LEU 253 54.060 43.250 27.340 1.00 0.00 H +ATOM 3897 3HD1 LEU 253 54.680 42.960 28.972 1.00 0.00 H +ATOM 3898 CD2 LEU 253 56.490 43.570 25.980 1.00 0.00 C +ATOM 3899 1HD2 LEU 253 56.580 44.674 25.880 1.00 0.00 H +ATOM 3900 2HD2 LEU 253 57.390 43.110 25.520 1.00 0.00 H +ATOM 3901 3HD2 LEU 253 55.534 43.278 25.496 1.00 0.00 H +ATOM 3902 C LEU 253 57.890 42.100 29.980 1.00 0.00 C +ATOM 3903 O LEU 253 58.970 41.730 29.640 1.00 0.00 O +ATOM 3904 N PRO 254 57.070 41.280 30.580 1.00 0.00 N +ATOM 3905 CD PRO 254 55.860 41.550 31.330 1.00 0.00 C +ATOM 3906 HD1 PRO 254 55.022 41.600 30.602 1.00 0.00 H +ATOM 3907 HD2 PRO 254 55.790 42.552 31.806 1.00 0.00 H +ATOM 3908 CA PRO 254 57.240 39.830 30.730 1.00 0.00 C +ATOM 3909 HA PRO 254 58.108 39.700 31.358 1.00 0.00 H +ATOM 3910 CB PRO 254 56.050 39.220 31.380 1.00 0.00 C +ATOM 3911 HB1 PRO 254 55.186 39.000 30.718 1.00 0.00 H +ATOM 3912 HB2 PRO 254 56.140 38.206 31.822 1.00 0.00 H +ATOM 3913 CG PRO 254 55.680 40.380 32.280 1.00 0.00 C +ATOM 3914 HG1 PRO 254 54.602 40.290 32.532 1.00 0.00 H +ATOM 3915 HG2 PRO 254 56.340 40.550 33.158 1.00 0.00 H +ATOM 3916 C PRO 254 57.420 39.090 29.390 1.00 0.00 C +ATOM 3917 O PRO 254 56.440 38.880 28.700 1.00 0.00 O +ATOM 3918 N THR 255 58.670 38.700 28.980 1.00 0.00 N +ATOM 3919 HN THR 255 59.460 38.890 29.560 1.00 0.00 H +ATOM 3920 CA THR 255 58.840 38.110 27.620 1.00 0.00 C +ATOM 3921 HA THR 255 57.888 37.910 27.150 1.00 0.00 H +ATOM 3922 CB THR 255 59.650 39.110 26.810 1.00 0.00 C +ATOM 3923 HB THR 255 60.674 39.270 27.212 1.00 0.00 H +ATOM 3924 OG1 THR 255 58.990 40.400 26.820 1.00 0.00 O +ATOM 3925 HG1 THR 255 59.100 40.702 27.724 1.00 0.00 H +ATOM 3926 CG2 THR 255 59.670 38.590 25.410 1.00 0.00 C +ATOM 3927 1HG2 THR 255 60.282 37.668 25.320 1.00 0.00 H +ATOM 3928 2HG2 THR 255 58.632 38.310 25.130 1.00 0.00 H +ATOM 3929 3HG2 THR 255 60.132 39.262 24.656 1.00 0.00 H +ATOM 3930 C THR 255 59.500 36.800 27.770 1.00 0.00 C +ATOM 3931 O THR 255 60.540 36.700 28.390 1.00 0.00 O +ATOM 3932 N ARG 256 58.910 35.800 27.110 1.00 0.00 N +ATOM 3933 HN ARG 256 58.164 36.010 26.482 1.00 0.00 H +ATOM 3934 CA ARG 256 59.390 34.450 27.080 1.00 0.00 C +ATOM 3935 HA ARG 256 58.590 33.830 26.700 1.00 0.00 H +ATOM 3936 CB ARG 256 60.420 34.150 25.960 1.00 0.00 C +ATOM 3937 HB1 ARG 256 61.304 34.796 26.158 1.00 0.00 H +ATOM 3938 HB2 ARG 256 60.792 33.104 26.000 1.00 0.00 H +ATOM 3939 CG ARG 256 59.940 34.380 24.450 1.00 0.00 C +ATOM 3940 HG1 ARG 256 58.996 33.818 24.290 1.00 0.00 H +ATOM 3941 HG2 ARG 256 59.610 35.440 24.410 1.00 0.00 H +ATOM 3942 CD ARG 256 61.000 34.040 23.430 1.00 0.00 C +ATOM 3943 HD1 ARG 256 61.996 34.422 23.742 1.00 0.00 H +ATOM 3944 HD2 ARG 256 61.190 32.948 23.360 1.00 0.00 H +ATOM 3945 NE ARG 256 60.510 34.650 22.120 1.00 0.00 N +ATOM 3946 HE ARG 256 60.110 34.110 21.380 1.00 0.00 H +ATOM 3947 CZ ARG 256 60.760 35.850 21.680 1.00 0.00 C +ATOM 3948 NH1 ARG 256 61.430 36.750 22.380 1.00 0.00 N +ATOM 3949 1HH1 ARG 256 61.780 36.490 23.280 1.00 0.00 H +ATOM 3950 2HH1 ARG 256 61.690 37.550 21.840 1.00 0.00 H +ATOM 3951 NH2 ARG 256 60.440 36.150 20.460 1.00 0.00 N +ATOM 3952 1HH2 ARG 256 60.220 35.300 19.980 1.00 0.00 H +ATOM 3953 2HH2 ARG 256 60.910 36.890 19.980 1.00 0.00 H +ATOM 3954 C ARG 256 59.700 33.830 28.420 1.00 0.00 C +ATOM 3955 O ARG 256 60.820 33.460 28.740 1.00 0.00 O +ATOM 3956 N ASN 257 58.680 33.630 29.280 1.00 0.00 N +ATOM 3957 HN ASN 257 57.752 33.760 28.940 1.00 0.00 H +ATOM 3958 CA ASN 257 58.710 33.160 30.670 1.00 0.00 C +ATOM 3959 HA ASN 257 57.688 33.180 31.020 1.00 0.00 H +ATOM 3960 CB ASN 257 59.160 31.690 30.760 1.00 0.00 C +ATOM 3961 HB1 ASN 257 58.660 31.160 29.920 1.00 0.00 H +ATOM 3962 HB2 ASN 257 60.252 31.590 30.590 1.00 0.00 H +ATOM 3963 CG ASN 257 58.720 31.080 32.060 1.00 0.00 C +ATOM 3964 OD1 ASN 257 57.690 31.470 32.620 1.00 0.00 O +ATOM 3965 ND2 ASN 257 59.700 30.310 32.640 1.00 0.00 N +ATOM 3966 1HD2 ASN 257 60.484 30.160 32.038 1.00 0.00 H +ATOM 3967 2HD2 ASN 257 59.560 29.970 33.570 1.00 0.00 H +ATOM 3968 C ASN 257 59.500 34.030 31.570 1.00 0.00 C +ATOM 3969 O ASN 257 60.270 33.590 32.400 1.00 0.00 O +ATOM 3970 N PHE 258 59.320 35.350 31.380 1.00 0.00 N +ATOM 3971 HN PHE 258 58.544 35.688 30.852 1.00 0.00 H +ATOM 3972 CA PHE 258 60.070 36.480 32.010 1.00 0.00 C +ATOM 3973 HA PHE 258 59.722 37.446 31.672 1.00 0.00 H +ATOM 3974 CB PHE 258 59.860 36.490 33.480 1.00 0.00 C +ATOM 3975 HB1 PHE 258 60.052 35.542 34.024 1.00 0.00 H +ATOM 3976 HB2 PHE 258 60.470 37.208 34.070 1.00 0.00 H +ATOM 3977 CG PHE 258 58.380 36.800 33.830 1.00 0.00 C +ATOM 3978 CD1 PHE 258 58.090 37.990 34.580 1.00 0.00 C +ATOM 3979 HD1 PHE 258 58.886 38.716 34.650 1.00 0.00 H +ATOM 3980 CE1 PHE 258 56.770 38.240 35.000 1.00 0.00 C +ATOM 3981 HE1 PHE 258 56.630 39.116 35.618 1.00 0.00 H +ATOM 3982 CZ PHE 258 55.800 37.350 34.770 1.00 0.00 C +ATOM 3983 HZ PHE 258 54.782 37.490 35.100 1.00 0.00 H +ATOM 3984 CD2 PHE 258 57.380 35.840 33.820 1.00 0.00 C +ATOM 3985 HD2 PHE 258 57.590 34.886 33.358 1.00 0.00 H +ATOM 3986 CE2 PHE 258 56.090 36.120 34.200 1.00 0.00 C +ATOM 3987 HE2 PHE 258 55.364 35.344 34.002 1.00 0.00 H +ATOM 3988 C PHE 258 61.540 36.350 31.770 1.00 0.00 C +ATOM 3989 O PHE 258 62.380 36.780 32.570 1.00 0.00 O +ATOM 3990 N SER 259 61.970 35.760 30.610 1.00 0.00 N +ATOM 3991 HN SER 259 61.298 35.338 30.008 1.00 0.00 H +ATOM 3992 CA SER 259 63.380 35.680 30.260 1.00 0.00 C +ATOM 3993 HA SER 259 63.948 35.222 31.056 1.00 0.00 H +ATOM 3994 CB SER 259 63.670 34.760 29.060 1.00 0.00 C +ATOM 3995 HB1 SER 259 64.742 34.810 28.770 1.00 0.00 H +ATOM 3996 HB2 SER 259 63.398 33.714 29.312 1.00 0.00 H +ATOM 3997 OG SER 259 63.040 35.170 27.810 1.00 0.00 O +ATOM 3998 HG1 SER 259 62.116 35.190 28.068 1.00 0.00 H +ATOM 3999 C SER 259 64.040 37.000 30.020 1.00 0.00 C +ATOM 4000 O SER 259 65.250 37.160 30.240 1.00 0.00 O +ATOM 4001 N ASP 260 63.200 38.000 29.570 1.00 0.00 N +ATOM 4002 HN ASP 260 62.252 37.820 29.320 1.00 0.00 H +ATOM 4003 CA ASP 260 63.740 39.270 29.340 1.00 0.00 C +ATOM 4004 HA ASP 260 64.468 39.440 30.118 1.00 0.00 H +ATOM 4005 CB ASP 260 64.330 39.340 27.940 1.00 0.00 C +ATOM 4006 HB1 ASP 260 65.036 38.524 27.672 1.00 0.00 H +ATOM 4007 HB2 ASP 260 63.510 39.220 27.200 1.00 0.00 H +ATOM 4008 CG ASP 260 65.060 40.610 27.660 1.00 0.00 C +ATOM 4009 OD1 ASP 260 65.550 41.310 28.590 1.00 0.00 O +ATOM 4010 OD2 ASP 260 65.260 40.900 26.430 1.00 0.00 O +ATOM 4011 C ASP 260 62.640 40.300 29.570 1.00 0.00 C +ATOM 4012 O ASP 260 61.490 39.900 29.730 1.00 0.00 O +ATOM 4013 N GLY 261 62.980 41.580 29.580 1.00 0.00 N +ATOM 4014 HN GLY 261 63.936 41.772 29.368 1.00 0.00 H +ATOM 4015 CA GLY 261 62.130 42.730 29.730 1.00 0.00 C +ATOM 4016 HA1 GLY 261 61.290 42.430 30.340 1.00 0.00 H +ATOM 4017 HA2 GLY 261 62.816 43.386 30.246 1.00 0.00 H +ATOM 4018 C GLY 261 61.570 43.420 28.470 1.00 0.00 C +ATOM 4019 O GLY 261 60.890 44.440 28.560 1.00 0.00 O +ATOM 4020 N TYR 262 61.940 42.940 27.310 1.00 0.00 N +ATOM 4021 HN TYR 262 62.388 42.054 27.220 1.00 0.00 H +ATOM 4022 CA TYR 262 61.690 43.560 26.030 1.00 0.00 C +ATOM 4023 HA TYR 262 60.878 44.252 26.200 1.00 0.00 H +ATOM 4024 CB TYR 262 63.020 44.260 25.470 1.00 0.00 C +ATOM 4025 HB1 TYR 262 63.438 44.936 26.246 1.00 0.00 H +ATOM 4026 HB2 TYR 262 63.750 43.430 25.360 1.00 0.00 H +ATOM 4027 CG TYR 262 62.990 45.050 24.140 1.00 0.00 C +ATOM 4028 CD1 TYR 262 63.390 44.510 22.920 1.00 0.00 C +ATOM 4029 HD1 TYR 262 63.770 43.512 22.760 1.00 0.00 H +ATOM 4030 CE1 TYR 262 63.300 45.210 21.680 1.00 0.00 C +ATOM 4031 HE1 TYR 262 63.688 44.882 20.726 1.00 0.00 H +ATOM 4032 CZ TYR 262 63.030 46.580 21.740 1.00 0.00 C +ATOM 4033 OH TYR 262 62.970 47.320 20.560 1.00 0.00 O +ATOM 4034 HH TYR 262 62.582 48.176 20.758 1.00 0.00 H +ATOM 4035 CD2 TYR 262 62.680 46.480 24.160 1.00 0.00 C +ATOM 4036 HD2 TYR 262 62.590 47.032 25.084 1.00 0.00 H +ATOM 4037 CE2 TYR 262 62.680 47.240 22.930 1.00 0.00 C +ATOM 4038 HE2 TYR 262 62.250 48.228 23.010 1.00 0.00 H +ATOM 4039 C TYR 262 61.200 42.480 25.040 1.00 0.00 C +ATOM 4040 O TYR 262 61.700 41.350 24.920 1.00 0.00 O +ATOM 4041 N PHE 263 60.190 42.880 24.210 1.00 0.00 N +ATOM 4042 HN PHE 263 59.912 43.816 24.410 1.00 0.00 H +ATOM 4043 CA PHE 263 59.580 42.100 23.170 1.00 0.00 C +ATOM 4044 HA PHE 263 60.220 41.240 23.050 1.00 0.00 H +ATOM 4045 CB PHE 263 58.120 41.630 23.590 1.00 0.00 C +ATOM 4046 HB1 PHE 263 58.160 41.058 24.542 1.00 0.00 H +ATOM 4047 HB2 PHE 263 57.482 42.538 23.630 1.00 0.00 H +ATOM 4048 CG PHE 263 57.490 40.680 22.570 1.00 0.00 C +ATOM 4049 CD1 PHE 263 56.170 40.880 22.200 1.00 0.00 C +ATOM 4050 HD1 PHE 263 55.624 41.734 22.578 1.00 0.00 H +ATOM 4051 CE1 PHE 263 55.460 40.000 21.350 1.00 0.00 C +ATOM 4052 HE1 PHE 263 54.428 40.210 21.110 1.00 0.00 H +ATOM 4053 CZ PHE 263 56.090 38.780 20.960 1.00 0.00 C +ATOM 4054 HZ PHE 263 55.606 38.054 20.324 1.00 0.00 H +ATOM 4055 CD2 PHE 263 58.120 39.460 22.180 1.00 0.00 C +ATOM 4056 HD2 PHE 263 59.154 39.330 22.462 1.00 0.00 H +ATOM 4057 CE2 PHE 263 57.400 38.540 21.410 1.00 0.00 C +ATOM 4058 HE2 PHE 263 57.890 37.622 21.120 1.00 0.00 H +ATOM 4059 C PHE 263 59.710 42.720 21.780 1.00 0.00 C +ATOM 4060 O PHE 263 59.440 43.890 21.510 1.00 0.00 O +ATOM 4061 N GLU 264 60.190 41.970 20.790 1.00 0.00 N +ATOM 4062 HN GLU 264 60.582 41.086 21.032 1.00 0.00 H +ATOM 4063 CA GLU 264 60.400 42.350 19.360 1.00 0.00 C +ATOM 4064 HA GLU 264 60.878 43.316 19.300 1.00 0.00 H +ATOM 4065 CB GLU 264 61.110 41.230 18.610 1.00 0.00 C +ATOM 4066 HB1 GLU 264 61.130 41.500 17.532 1.00 0.00 H +ATOM 4067 HB2 GLU 264 62.184 41.220 18.898 1.00 0.00 H +ATOM 4068 CG GLU 264 60.410 39.800 18.750 1.00 0.00 C +ATOM 4069 HG1 GLU 264 59.350 39.710 19.070 1.00 0.00 H +ATOM 4070 HG2 GLU 264 60.340 39.222 17.804 1.00 0.00 H +ATOM 4071 CD GLU 264 61.300 39.040 19.730 1.00 0.00 C +ATOM 4072 OE1 GLU 264 62.050 38.110 19.340 1.00 0.00 O +ATOM 4073 OE2 GLU 264 61.240 39.400 20.930 1.00 0.00 O +ATOM 4074 C GLU 264 59.140 42.620 18.650 1.00 0.00 C +ATOM 4075 O GLU 264 59.060 43.550 17.850 1.00 0.00 O +ATOM 4076 N PHE 265 58.030 41.860 18.900 1.00 0.00 N +ATOM 4077 HN PHE 265 58.120 41.060 19.490 1.00 0.00 H +ATOM 4078 CA PHE 265 56.730 42.100 18.310 1.00 0.00 C +ATOM 4079 HA PHE 265 56.908 42.764 17.476 1.00 0.00 H +ATOM 4080 CB PHE 265 56.040 40.820 17.770 1.00 0.00 C +ATOM 4081 HB1 PHE 265 55.590 40.148 18.532 1.00 0.00 H +ATOM 4082 HB2 PHE 265 55.182 41.160 17.152 1.00 0.00 H +ATOM 4083 CG PHE 265 56.980 40.050 16.870 1.00 0.00 C +ATOM 4084 CD1 PHE 265 57.460 40.710 15.720 1.00 0.00 C +ATOM 4085 HD1 PHE 265 57.052 41.694 15.542 1.00 0.00 H +ATOM 4086 CE1 PHE 265 58.440 40.030 14.920 1.00 0.00 C +ATOM 4087 HE1 PHE 265 58.912 40.472 14.056 1.00 0.00 H +ATOM 4088 CZ PHE 265 58.770 38.720 15.170 1.00 0.00 C +ATOM 4089 HZ PHE 265 59.480 38.360 14.440 1.00 0.00 H +ATOM 4090 CD2 PHE 265 57.440 38.770 17.230 1.00 0.00 C +ATOM 4091 HD2 PHE 265 57.052 38.284 18.114 1.00 0.00 H +ATOM 4092 CE2 PHE 265 58.410 38.120 16.440 1.00 0.00 C +ATOM 4093 HE2 PHE 265 58.690 37.140 16.800 1.00 0.00 H +ATOM 4094 C PHE 265 55.920 42.890 19.250 1.00 0.00 C +ATOM 4095 O PHE 265 54.700 42.930 18.970 1.00 0.00 O +ATOM 4096 N ALA 266 56.460 43.630 20.340 1.00 0.00 N +ATOM 4097 HN ALA 266 57.442 43.490 20.430 1.00 0.00 H +ATOM 4098 CA ALA 266 55.710 44.440 21.360 1.00 0.00 C +ATOM 4099 HA ALA 266 55.028 43.808 21.912 1.00 0.00 H +ATOM 4100 CB ALA 266 56.670 45.160 22.310 1.00 0.00 C +ATOM 4101 HB1 ALA 266 57.346 44.484 22.876 1.00 0.00 H +ATOM 4102 HB2 ALA 266 57.274 45.916 21.766 1.00 0.00 H +ATOM 4103 HB3 ALA 266 56.104 45.588 23.166 1.00 0.00 H +ATOM 4104 C ALA 266 54.740 45.410 20.660 1.00 0.00 C +ATOM 4105 O ALA 266 53.580 45.490 21.070 1.00 0.00 O +ATOM 4106 N ARG 267 55.170 45.980 19.570 1.00 0.00 N +ATOM 4107 HN ARG 267 56.094 45.802 19.242 1.00 0.00 H +ATOM 4108 CA ARG 267 54.290 46.890 18.810 1.00 0.00 C +ATOM 4109 HA ARG 267 53.920 47.650 19.480 1.00 0.00 H +ATOM 4110 CB ARG 267 55.220 47.710 17.800 1.00 0.00 C +ATOM 4111 HB1 ARG 267 56.152 47.900 18.372 1.00 0.00 H +ATOM 4112 HB2 ARG 267 55.450 47.042 16.942 1.00 0.00 H +ATOM 4113 CG ARG 267 54.610 48.990 17.130 1.00 0.00 C +ATOM 4114 HG1 ARG 267 53.770 48.660 16.480 1.00 0.00 H +ATOM 4115 HG2 ARG 267 54.070 49.690 17.800 1.00 0.00 H +ATOM 4116 CD ARG 267 55.630 49.880 16.290 1.00 0.00 C +ATOM 4117 HD1 ARG 267 56.258 50.568 16.898 1.00 0.00 H +ATOM 4118 HD2 ARG 267 56.306 49.352 15.584 1.00 0.00 H +ATOM 4119 NE ARG 267 54.720 50.850 15.570 1.00 0.00 N +ATOM 4120 HE ARG 267 54.036 51.272 16.164 1.00 0.00 H +ATOM 4121 CZ ARG 267 54.860 51.320 14.380 1.00 0.00 C +ATOM 4122 NH1 ARG 267 55.940 51.200 13.600 1.00 0.00 N +ATOM 4123 1HH1 ARG 267 56.742 50.788 14.032 1.00 0.00 H +ATOM 4124 2HH1 ARG 267 56.150 51.850 12.870 1.00 0.00 H +ATOM 4125 NH2 ARG 267 53.920 52.090 13.960 1.00 0.00 N +ATOM 4126 1HH2 ARG 267 53.076 52.060 14.496 1.00 0.00 H +ATOM 4127 2HH2 ARG 267 54.020 52.620 13.118 1.00 0.00 H +ATOM 4128 C ARG 267 53.210 46.230 18.010 1.00 0.00 C +ATOM 4129 O ARG 267 52.300 46.930 17.630 1.00 0.00 O +ATOM 4130 N SER 268 53.250 44.900 17.860 1.00 0.00 N +ATOM 4131 HN SER 268 53.890 44.260 18.280 1.00 0.00 H +ATOM 4132 CA SER 268 52.260 44.160 17.080 1.00 0.00 C +ATOM 4133 HA SER 268 51.810 44.880 16.410 1.00 0.00 H +ATOM 4134 CB SER 268 52.860 43.100 16.200 1.00 0.00 C +ATOM 4135 HB1 SER 268 53.430 42.430 16.880 1.00 0.00 H +ATOM 4136 HB2 SER 268 52.088 42.478 15.698 1.00 0.00 H +ATOM 4137 OG SER 268 53.490 43.630 15.080 1.00 0.00 O +ATOM 4138 HG1 SER 268 54.198 44.210 15.370 1.00 0.00 H +ATOM 4139 C SER 268 51.250 43.530 18.030 1.00 0.00 C +ATOM 4140 O SER 268 50.250 42.920 17.560 1.00 0.00 O +ATOM 4141 N ILE 269 51.460 43.820 19.330 1.00 0.00 N +ATOM 4142 HN ILE 269 52.326 44.188 19.658 1.00 0.00 H +ATOM 4143 CA ILE 269 50.510 43.510 20.370 1.00 0.00 C +ATOM 4144 HA ILE 269 49.632 43.022 19.972 1.00 0.00 H +ATOM 4145 CB ILE 269 51.000 42.410 21.290 1.00 0.00 C +ATOM 4146 HB ILE 269 50.172 42.230 22.008 1.00 0.00 H +ATOM 4147 CG2 ILE 269 51.110 40.990 20.510 1.00 0.00 C +ATOM 4148 1HG2 ILE 269 51.340 40.150 21.200 1.00 0.00 H +ATOM 4149 2HG2 ILE 269 50.208 40.780 19.898 1.00 0.00 H +ATOM 4150 3HG2 ILE 269 52.006 40.960 19.852 1.00 0.00 H +ATOM 4151 CG1 ILE 269 52.310 42.610 22.060 1.00 0.00 C +ATOM 4152 1HG1 ILE 269 53.184 42.590 21.376 1.00 0.00 H +ATOM 4153 2HG1 ILE 269 52.300 43.634 22.492 1.00 0.00 H +ATOM 4154 CD ILE 269 52.610 41.510 23.160 1.00 0.00 C +ATOM 4155 HD1 ILE 269 53.386 41.808 23.896 1.00 0.00 H +ATOM 4156 HD2 ILE 269 51.666 41.228 23.672 1.00 0.00 H +ATOM 4157 HD3 ILE 269 52.810 40.550 22.640 1.00 0.00 H +ATOM 4158 C ILE 269 50.130 44.660 21.250 1.00 0.00 C +ATOM 4159 O ILE 269 49.390 44.520 22.250 1.00 0.00 O +ATOM 4160 N ASP 270 50.510 45.860 20.890 1.00 0.00 N +ATOM 4161 HN ASP 270 50.968 45.920 20.006 1.00 0.00 H +ATOM 4162 CA ASP 270 50.380 47.070 21.660 1.00 0.00 C +ATOM 4163 HA ASP 270 50.680 46.700 22.630 1.00 0.00 H +ATOM 4164 CB ASP 270 51.490 48.120 21.270 1.00 0.00 C +ATOM 4165 HB1 ASP 270 51.680 48.880 22.060 1.00 0.00 H +ATOM 4166 HB2 ASP 270 52.434 47.538 21.220 1.00 0.00 H +ATOM 4167 CG ASP 270 51.390 48.850 19.890 1.00 0.00 C +ATOM 4168 OD1 ASP 270 50.420 48.650 19.160 1.00 0.00 O +ATOM 4169 OD2 ASP 270 52.320 49.680 19.640 1.00 0.00 O +ATOM 4170 C ASP 270 48.930 47.670 21.740 1.00 0.00 C +ATOM 4171 O ASP 270 47.960 47.150 21.160 1.00 0.00 O +ATOM 4172 N GLY 271 48.820 48.850 22.350 1.00 0.00 N +ATOM 4173 HN GLY 271 49.662 49.242 22.712 1.00 0.00 H +ATOM 4174 CA GLY 271 47.580 49.620 22.500 1.00 0.00 C +ATOM 4175 HA1 GLY 271 46.826 48.916 22.822 1.00 0.00 H +ATOM 4176 HA2 GLY 271 47.810 50.472 23.122 1.00 0.00 H +ATOM 4177 C GLY 271 47.120 50.280 21.180 1.00 0.00 C +ATOM 4178 O GLY 271 45.890 50.360 21.000 1.00 0.00 O +ATOM 4179 N TYR 272 48.120 50.560 20.300 1.00 0.00 N +ATOM 4180 HN TYR 272 49.076 50.380 20.520 1.00 0.00 H +ATOM 4181 CA TYR 272 47.900 51.150 19.010 1.00 0.00 C +ATOM 4182 HA TYR 272 47.152 51.928 19.070 1.00 0.00 H +ATOM 4183 CB TYR 272 49.160 51.800 18.440 1.00 0.00 C +ATOM 4184 HB1 TYR 272 50.042 51.128 18.370 1.00 0.00 H +ATOM 4185 HB2 TYR 272 48.920 52.270 17.462 1.00 0.00 H +ATOM 4186 CG TYR 272 49.580 52.930 19.300 1.00 0.00 C +ATOM 4187 CD1 TYR 272 48.960 54.200 18.990 1.00 0.00 C +ATOM 4188 HD1 TYR 272 48.216 54.210 18.206 1.00 0.00 H +ATOM 4189 CE1 TYR 272 49.190 55.260 19.820 1.00 0.00 C +ATOM 4190 HE1 TYR 272 48.780 56.202 19.490 1.00 0.00 H +ATOM 4191 CZ TYR 272 49.950 55.120 20.980 1.00 0.00 C +ATOM 4192 OH TYR 272 50.300 56.170 21.840 1.00 0.00 O +ATOM 4193 HH TYR 272 50.520 55.830 22.710 1.00 0.00 H +ATOM 4194 CD2 TYR 272 50.470 52.800 20.370 1.00 0.00 C +ATOM 4195 HD2 TYR 272 51.030 51.890 20.520 1.00 0.00 H +ATOM 4196 CE2 TYR 272 50.720 53.900 21.140 1.00 0.00 C +ATOM 4197 HE2 TYR 272 51.520 53.830 21.860 1.00 0.00 H +ATOM 4198 C TYR 272 47.290 50.130 18.090 1.00 0.00 C +ATOM 4199 O TYR 272 46.330 50.390 17.320 1.00 0.00 O +ATOM 4200 N THR 273 47.780 48.890 18.140 1.00 0.00 N +ATOM 4201 HN THR 273 48.650 48.700 18.590 1.00 0.00 H +ATOM 4202 CA THR 273 47.200 47.660 17.490 1.00 0.00 C +ATOM 4203 HA THR 273 47.200 47.740 16.412 1.00 0.00 H +ATOM 4204 CB THR 273 48.020 46.410 17.660 1.00 0.00 C +ATOM 4205 HB THR 273 48.130 46.090 18.718 1.00 0.00 H +ATOM 4206 OG1 THR 273 49.310 46.790 17.240 1.00 0.00 O +ATOM 4207 HG1 THR 273 49.680 47.320 17.950 1.00 0.00 H +ATOM 4208 CG2 THR 273 47.600 45.270 16.840 1.00 0.00 C +ATOM 4209 1HG2 THR 273 46.664 44.792 17.198 1.00 0.00 H +ATOM 4210 2HG2 THR 273 47.480 45.620 15.792 1.00 0.00 H +ATOM 4211 3HG2 THR 273 48.356 44.454 16.850 1.00 0.00 H +ATOM 4212 C THR 273 45.790 47.240 17.970 1.00 0.00 C +ATOM 4213 O THR 273 44.990 46.870 17.110 1.00 0.00 O +ATOM 4214 N MET 274 45.500 47.310 19.270 1.00 0.00 N +ATOM 4215 HN MET 274 46.288 47.618 19.798 1.00 0.00 H +ATOM 4216 CA MET 274 44.260 47.020 19.930 1.00 0.00 C +ATOM 4217 HA MET 274 43.938 46.034 19.628 1.00 0.00 H +ATOM 4218 CB MET 274 44.410 47.090 21.420 1.00 0.00 C +ATOM 4219 HB1 MET 274 45.048 46.222 21.690 1.00 0.00 H +ATOM 4220 HB2 MET 274 44.952 48.012 21.720 1.00 0.00 H +ATOM 4221 CG MET 274 43.090 46.860 22.270 1.00 0.00 C +ATOM 4222 HG1 MET 274 42.620 45.870 22.090 1.00 0.00 H +ATOM 4223 HG2 MET 274 43.320 46.820 23.356 1.00 0.00 H +ATOM 4224 SD MET 274 41.750 48.090 22.210 1.00 0.00 S +ATOM 4225 CE MET 274 42.600 49.550 22.660 1.00 0.00 C +ATOM 4226 HE1 MET 274 43.048 49.550 23.676 1.00 0.00 H +ATOM 4227 HE2 MET 274 43.494 49.812 22.056 1.00 0.00 H +ATOM 4228 HE3 MET 274 41.850 50.370 22.660 1.00 0.00 H +ATOM 4229 C MET 274 43.290 48.070 19.360 1.00 0.00 C +ATOM 4230 O MET 274 42.180 47.690 18.950 1.00 0.00 O +ATOM 4231 N GLU 275 43.660 49.330 19.300 1.00 0.00 N +ATOM 4232 HN GLU 275 44.450 49.590 19.850 1.00 0.00 H +ATOM 4233 CA GLU 275 42.800 50.390 18.740 1.00 0.00 C +ATOM 4234 HA GLU 275 41.952 50.440 19.408 1.00 0.00 H +ATOM 4235 CB GLU 275 43.470 51.780 18.800 1.00 0.00 C +ATOM 4236 HB1 GLU 275 44.560 51.590 18.710 1.00 0.00 H +ATOM 4237 HB2 GLU 275 43.270 52.468 17.952 1.00 0.00 H +ATOM 4238 CG GLU 275 43.230 52.460 20.200 1.00 0.00 C +ATOM 4239 HG1 GLU 275 42.156 52.658 20.408 1.00 0.00 H +ATOM 4240 HG2 GLU 275 43.540 51.990 21.158 1.00 0.00 H +ATOM 4241 CD GLU 275 43.840 53.890 20.220 1.00 0.00 C +ATOM 4242 OE1 GLU 275 45.030 54.030 20.480 1.00 0.00 O +ATOM 4243 OE2 GLU 275 43.150 54.880 19.880 1.00 0.00 O +ATOM 4244 C GLU 275 42.400 50.090 17.290 1.00 0.00 C +ATOM 4245 O GLU 275 41.320 50.390 16.850 1.00 0.00 O +ATOM 4246 N GLY 276 43.240 49.410 16.480 1.00 0.00 N +ATOM 4247 HN GLY 276 44.040 49.030 16.940 1.00 0.00 H +ATOM 4248 CA GLY 276 42.790 49.150 15.100 1.00 0.00 C +ATOM 4249 HA1 GLY 276 42.650 50.050 14.520 1.00 0.00 H +ATOM 4250 HA2 GLY 276 43.618 48.630 14.640 1.00 0.00 H +ATOM 4251 C GLY 276 41.670 48.160 14.960 1.00 0.00 C +ATOM 4252 O GLY 276 40.770 48.210 14.150 1.00 0.00 O +ATOM 4253 N MET 277 41.750 47.170 15.910 1.00 0.00 N +ATOM 4254 HN MET 277 42.300 47.170 16.742 1.00 0.00 H +ATOM 4255 CA MET 277 40.940 45.970 15.890 1.00 0.00 C +ATOM 4256 HA MET 277 40.710 45.572 14.912 1.00 0.00 H +ATOM 4257 CB MET 277 41.640 44.900 16.770 1.00 0.00 C +ATOM 4258 HB1 MET 277 41.830 45.258 17.804 1.00 0.00 H +ATOM 4259 HB2 MET 277 41.062 43.952 16.810 1.00 0.00 H +ATOM 4260 CG MET 277 42.980 44.420 16.100 1.00 0.00 C +ATOM 4261 HG1 MET 277 42.700 43.868 15.178 1.00 0.00 H +ATOM 4262 HG2 MET 277 43.576 45.334 15.882 1.00 0.00 H +ATOM 4263 SD MET 277 44.020 43.470 17.230 1.00 0.00 S +ATOM 4264 CE MET 277 42.890 42.030 17.280 1.00 0.00 C +ATOM 4265 HE1 MET 277 42.870 41.428 16.346 1.00 0.00 H +ATOM 4266 HE2 MET 277 43.310 41.410 18.100 1.00 0.00 H +ATOM 4267 HE3 MET 277 41.854 42.220 17.638 1.00 0.00 H +ATOM 4268 C MET 277 39.560 46.280 16.510 1.00 0.00 C +ATOM 4269 O MET 277 38.640 45.510 16.260 1.00 0.00 O +ATOM 4270 N LYS 278 39.450 47.320 17.380 1.00 0.00 N +ATOM 4271 HN LYS 278 40.150 48.000 17.580 1.00 0.00 H +ATOM 4272 CA LYS 278 38.370 47.380 18.390 1.00 0.00 C +ATOM 4273 HA LYS 278 38.400 46.592 19.128 1.00 0.00 H +ATOM 4274 CB LYS 278 38.630 48.660 19.280 1.00 0.00 C +ATOM 4275 HB1 LYS 278 39.648 48.740 19.714 1.00 0.00 H +ATOM 4276 HB2 LYS 278 38.540 49.546 18.614 1.00 0.00 H +ATOM 4277 CG LYS 278 37.580 48.850 20.400 1.00 0.00 C +ATOM 4278 HG1 LYS 278 36.528 48.672 20.092 1.00 0.00 H +ATOM 4279 HG2 LYS 278 37.850 48.022 21.088 1.00 0.00 H +ATOM 4280 CD LYS 278 37.620 50.140 21.230 1.00 0.00 C +ATOM 4281 HD1 LYS 278 37.370 50.972 20.538 1.00 0.00 H +ATOM 4282 HD2 LYS 278 36.804 49.932 21.956 1.00 0.00 H +ATOM 4283 CE LYS 278 39.050 50.380 21.810 1.00 0.00 C +ATOM 4284 HE1 LYS 278 39.230 49.620 22.600 1.00 0.00 H +ATOM 4285 HE2 LYS 278 39.898 50.360 21.092 1.00 0.00 H +ATOM 4286 NZ LYS 278 39.030 51.660 22.510 1.00 0.00 N +ATOM 4287 HZ1 LYS 278 38.828 51.448 23.508 1.00 0.00 H +ATOM 4288 HZ2 LYS 278 39.990 52.060 22.480 1.00 0.00 H +ATOM 4289 HZ3 LYS 278 38.414 52.386 22.092 1.00 0.00 H +ATOM 4290 C LYS 278 36.930 47.370 17.770 1.00 0.00 C +ATOM 4291 O LYS 278 36.690 47.880 16.730 1.00 0.00 O +ATOM 4292 N VAL 279 36.030 46.680 18.380 1.00 0.00 N +ATOM 4293 HN VAL 279 36.288 46.084 19.136 1.00 0.00 H +ATOM 4294 CA VAL 279 34.620 46.590 17.950 1.00 0.00 C +ATOM 4295 HA VAL 279 34.440 47.328 17.182 1.00 0.00 H +ATOM 4296 CB VAL 279 34.130 45.260 17.460 1.00 0.00 C +ATOM 4297 HB VAL 279 33.048 45.210 17.210 1.00 0.00 H +ATOM 4298 CG1 VAL 279 34.820 45.110 16.050 1.00 0.00 C +ATOM 4299 1HG1 VAL 279 35.902 45.290 16.230 1.00 0.00 H +ATOM 4300 2HG1 VAL 279 34.750 44.046 15.738 1.00 0.00 H +ATOM 4301 3HG1 VAL 279 34.370 45.720 15.238 1.00 0.00 H +ATOM 4302 CG2 VAL 279 34.630 44.140 18.380 1.00 0.00 C +ATOM 4303 1HG2 VAL 279 35.702 43.860 18.290 1.00 0.00 H +ATOM 4304 2HG2 VAL 279 34.470 44.400 19.448 1.00 0.00 H +ATOM 4305 3HG2 VAL 279 34.108 43.176 18.210 1.00 0.00 H +ATOM 4306 C VAL 279 33.670 47.180 18.980 1.00 0.00 C +ATOM 4307 O VAL 279 32.690 47.770 18.550 1.00 0.00 O +ATOM 4308 N GLN 280 33.970 47.170 20.250 1.00 0.00 N +ATOM 4309 HN GLN 280 34.782 46.710 20.600 1.00 0.00 H +ATOM 4310 CA GLN 280 33.130 47.730 21.270 1.00 0.00 C +ATOM 4311 HA GLN 280 32.640 48.648 20.980 1.00 0.00 H +ATOM 4312 CB GLN 280 31.950 46.760 21.600 1.00 0.00 C +ATOM 4313 HB1 GLN 280 31.380 46.660 20.652 1.00 0.00 H +ATOM 4314 HB2 GLN 280 32.328 45.724 21.730 1.00 0.00 H +ATOM 4315 CG GLN 280 30.940 47.130 22.740 1.00 0.00 C +ATOM 4316 HG1 GLN 280 31.452 47.170 23.724 1.00 0.00 H +ATOM 4317 HG2 GLN 280 30.578 48.136 22.438 1.00 0.00 H +ATOM 4318 CD GLN 280 29.800 46.150 22.840 1.00 0.00 C +ATOM 4319 OE1 GLN 280 29.820 45.350 23.750 1.00 0.00 O +ATOM 4320 NE2 GLN 280 28.890 46.190 21.860 1.00 0.00 N +ATOM 4321 1HE2 GLN 280 28.750 46.910 21.180 1.00 0.00 H +ATOM 4322 2HE2 GLN 280 28.152 45.522 21.760 1.00 0.00 H +ATOM 4323 C GLN 280 33.960 48.000 22.560 1.00 0.00 C +ATOM 4324 O GLN 280 35.050 47.380 22.740 1.00 0.00 O +ATOM 4325 N GLN 281 33.440 48.900 23.340 1.00 0.00 N +ATOM 4326 HN GLN 281 32.684 49.508 23.110 1.00 0.00 H +ATOM 4327 CA GLN 281 33.950 49.150 24.690 1.00 0.00 C +ATOM 4328 HA GLN 281 34.750 48.470 24.940 1.00 0.00 H +ATOM 4329 CB GLN 281 34.540 50.600 24.720 1.00 0.00 C +ATOM 4330 HB1 GLN 281 35.340 50.610 23.950 1.00 0.00 H +ATOM 4331 HB2 GLN 281 33.770 51.290 24.310 1.00 0.00 H +ATOM 4332 CG GLN 281 34.990 51.090 26.050 1.00 0.00 C +ATOM 4333 HG1 GLN 281 34.128 51.130 26.750 1.00 0.00 H +ATOM 4334 HG2 GLN 281 35.782 50.520 26.580 1.00 0.00 H +ATOM 4335 CD GLN 281 35.430 52.530 25.930 1.00 0.00 C +ATOM 4336 OE1 GLN 281 34.580 53.430 25.870 1.00 0.00 O +ATOM 4337 NE2 GLN 281 36.740 52.780 25.990 1.00 0.00 N +ATOM 4338 1HE2 GLN 281 37.448 52.152 26.310 1.00 0.00 H +ATOM 4339 2HE2 GLN 281 37.130 53.648 25.680 1.00 0.00 H +ATOM 4340 C GLN 281 32.930 48.850 25.780 1.00 0.00 C +ATOM 4341 O GLN 281 31.810 49.130 25.630 1.00 0.00 O +ATOM 4342 N ARG 282 33.400 48.210 26.860 1.00 0.00 N +ATOM 4343 HN ARG 282 34.364 48.010 27.010 1.00 0.00 H +ATOM 4344 CA ARG 282 32.490 47.780 27.860 1.00 0.00 C +ATOM 4345 HA ARG 282 31.526 48.252 27.740 1.00 0.00 H +ATOM 4346 CB ARG 282 32.390 46.200 27.800 1.00 0.00 C +ATOM 4347 HB1 ARG 282 33.470 45.960 27.690 1.00 0.00 H +ATOM 4348 HB2 ARG 282 31.970 45.670 28.680 1.00 0.00 H +ATOM 4349 CG ARG 282 31.700 45.580 26.600 1.00 0.00 C +ATOM 4350 HG1 ARG 282 30.624 45.802 26.760 1.00 0.00 H +ATOM 4351 HG2 ARG 282 31.970 45.920 25.578 1.00 0.00 H +ATOM 4352 CD ARG 282 31.780 44.100 26.610 1.00 0.00 C +ATOM 4353 HD1 ARG 282 32.798 43.670 26.490 1.00 0.00 H +ATOM 4354 HD2 ARG 282 31.480 43.800 27.638 1.00 0.00 H +ATOM 4355 NE ARG 282 30.840 43.480 25.510 1.00 0.00 N +ATOM 4356 HE ARG 282 30.530 44.062 24.758 1.00 0.00 H +ATOM 4357 CZ ARG 282 30.900 42.200 25.220 1.00 0.00 C +ATOM 4358 NH1 ARG 282 31.520 41.300 25.980 1.00 0.00 N +ATOM 4359 1HH1 ARG 282 31.980 41.550 26.832 1.00 0.00 H +ATOM 4360 2HH1 ARG 282 31.610 40.358 25.660 1.00 0.00 H +ATOM 4361 NH2 ARG 282 30.440 41.780 24.070 1.00 0.00 N +ATOM 4362 1HH2 ARG 282 29.950 42.260 23.342 1.00 0.00 H +ATOM 4363 2HH2 ARG 282 30.540 40.818 23.820 1.00 0.00 H +ATOM 4364 C ARG 282 32.890 48.220 29.240 1.00 0.00 C +ATOM 4365 O ARG 282 34.050 48.080 29.610 1.00 0.00 O +ATOM 4366 N GLY 283 31.900 48.760 30.010 1.00 0.00 N +ATOM 4367 HN GLY 283 30.986 48.880 29.628 1.00 0.00 H +ATOM 4368 CA GLY 283 32.000 49.120 31.440 1.00 0.00 C +ATOM 4369 HA1 GLY 283 33.036 49.310 31.680 1.00 0.00 H +ATOM 4370 HA2 GLY 283 31.430 50.008 31.670 1.00 0.00 H +ATOM 4371 C GLY 283 31.440 48.110 32.460 1.00 0.00 C +ATOM 4372 O GLY 283 30.480 47.410 32.390 1.00 0.00 O +ATOM 4373 N CYS 284 32.160 48.070 33.580 1.00 0.00 N +ATOM 4374 HN CYS 284 33.136 48.272 33.600 1.00 0.00 H +ATOM 4375 CA CYS 284 31.560 47.650 34.840 1.00 0.00 C +ATOM 4376 HA CYS 284 31.220 46.642 34.650 1.00 0.00 H +ATOM 4377 CB CYS 284 32.500 47.750 36.080 1.00 0.00 C +ATOM 4378 HB1 CYS 284 32.840 48.798 36.220 1.00 0.00 H +ATOM 4379 HB2 CYS 284 32.018 47.388 37.014 1.00 0.00 H +ATOM 4380 SG CYS 284 34.040 46.750 35.840 1.00 0.00 S +ATOM 4381 HG1 CYS 284 34.748 47.738 35.312 1.00 0.00 H +ATOM 4382 C CYS 284 30.330 48.440 35.180 1.00 0.00 C +ATOM 4383 O CYS 284 30.210 49.570 34.780 1.00 0.00 O +ATOM 4384 N PRO 285 29.440 47.790 35.970 1.00 0.00 N +ATOM 4385 CD PRO 285 29.260 46.350 36.240 1.00 0.00 C +ATOM 4386 HD1 PRO 285 29.990 46.190 37.060 1.00 0.00 H +ATOM 4387 HD2 PRO 285 29.578 45.714 35.386 1.00 0.00 H +ATOM 4388 CA PRO 285 28.340 48.590 36.530 1.00 0.00 C +ATOM 4389 HA PRO 285 27.630 48.930 35.790 1.00 0.00 H +ATOM 4390 CB PRO 285 27.590 47.610 37.470 1.00 0.00 C +ATOM 4391 HB1 PRO 285 28.092 47.490 38.454 1.00 0.00 H +ATOM 4392 HB2 PRO 285 26.520 47.870 37.620 1.00 0.00 H +ATOM 4393 CG PRO 285 27.820 46.250 36.710 1.00 0.00 C +ATOM 4394 HG1 PRO 285 27.750 45.330 37.330 1.00 0.00 H +ATOM 4395 HG2 PRO 285 27.140 46.230 35.830 1.00 0.00 H +ATOM 4396 C PRO 285 28.740 49.880 37.230 1.00 0.00 C +ATOM 4397 O PRO 285 29.730 49.780 37.950 1.00 0.00 O +ATOM 4398 N TYR 286 28.030 50.970 36.950 1.00 0.00 N +ATOM 4399 HN TYR 286 27.310 50.930 36.260 1.00 0.00 H +ATOM 4400 CA TYR 286 28.270 52.180 37.750 1.00 0.00 C +ATOM 4401 HA TYR 286 27.468 52.852 37.480 1.00 0.00 H +ATOM 4402 CB TYR 286 28.120 51.940 39.290 1.00 0.00 C +ATOM 4403 HB1 TYR 286 28.818 51.162 39.668 1.00 0.00 H +ATOM 4404 HB2 TYR 286 28.480 52.908 39.700 1.00 0.00 H +ATOM 4405 CG TYR 286 26.730 51.610 39.690 1.00 0.00 C +ATOM 4406 CD1 TYR 286 25.820 52.580 40.090 1.00 0.00 C +ATOM 4407 HD1 TYR 286 26.150 53.608 40.120 1.00 0.00 H +ATOM 4408 CE1 TYR 286 24.520 52.330 40.520 1.00 0.00 C +ATOM 4409 HE1 TYR 286 23.932 53.128 40.948 1.00 0.00 H +ATOM 4410 CZ TYR 286 24.120 51.010 40.590 1.00 0.00 C +ATOM 4411 OH TYR 286 22.790 50.840 41.120 1.00 0.00 O +ATOM 4412 HH TYR 286 22.680 51.632 41.652 1.00 0.00 H +ATOM 4413 CD2 TYR 286 26.280 50.300 39.790 1.00 0.00 C +ATOM 4414 HD2 TYR 286 26.830 49.452 39.410 1.00 0.00 H +ATOM 4415 CE2 TYR 286 24.940 49.970 40.100 1.00 0.00 C +ATOM 4416 HE2 TYR 286 24.620 48.940 40.060 1.00 0.00 H +ATOM 4417 C TYR 286 29.530 52.850 37.250 1.00 0.00 C +ATOM 4418 O TYR 286 30.100 53.570 38.040 1.00 0.00 O +ATOM 4419 N CYS 287 29.990 52.530 36.110 1.00 0.00 N +ATOM 4420 HN CYS 287 29.476 51.946 35.486 1.00 0.00 H +ATOM 4421 CA CYS 287 31.320 52.890 35.760 1.00 0.00 C +ATOM 4422 HA CYS 287 31.668 53.566 36.526 1.00 0.00 H +ATOM 4423 CB CYS 287 32.190 51.660 35.390 1.00 0.00 C +ATOM 4424 HB1 CYS 287 31.950 51.000 36.250 1.00 0.00 H +ATOM 4425 HB2 CYS 287 31.820 51.240 34.430 1.00 0.00 H +ATOM 4426 SG CYS 287 33.980 51.880 35.280 1.00 0.00 S +ATOM 4427 HG1 CYS 287 34.312 51.498 34.056 1.00 0.00 H +ATOM 4428 C CYS 287 31.150 53.750 34.530 1.00 0.00 C +ATOM 4429 O CYS 287 30.870 53.200 33.470 1.00 0.00 O +ATOM 4430 N ASN 288 31.400 55.030 34.670 1.00 0.00 N +ATOM 4431 HN ASN 288 31.520 55.476 35.554 1.00 0.00 H +ATOM 4432 CA ASN 288 31.360 55.970 33.520 1.00 0.00 C +ATOM 4433 HA ASN 288 30.668 55.640 32.758 1.00 0.00 H +ATOM 4434 CB ASN 288 30.740 57.360 33.970 1.00 0.00 C +ATOM 4435 HB1 ASN 288 30.510 57.940 33.050 1.00 0.00 H +ATOM 4436 HB2 ASN 288 29.754 57.290 34.478 1.00 0.00 H +ATOM 4437 CG ASN 288 31.680 58.090 34.830 1.00 0.00 C +ATOM 4438 OD1 ASN 288 32.620 57.520 35.440 1.00 0.00 O +ATOM 4439 ND2 ASN 288 31.570 59.440 34.910 1.00 0.00 N +ATOM 4440 1HD2 ASN 288 30.918 59.950 34.348 1.00 0.00 H +ATOM 4441 2HD2 ASN 288 32.302 59.902 35.412 1.00 0.00 H +ATOM 4442 C ASN 288 32.770 56.060 32.840 1.00 0.00 C +ATOM 4443 O ASN 288 33.030 56.850 31.930 1.00 0.00 O +ATOM 4444 N MET 289 33.660 55.250 33.320 1.00 0.00 N +ATOM 4445 HN MET 289 33.530 54.970 34.268 1.00 0.00 H +ATOM 4446 CA MET 289 34.990 55.150 32.870 1.00 0.00 C +ATOM 4447 HA MET 289 35.352 55.812 32.098 1.00 0.00 H +ATOM 4448 CB MET 289 35.850 55.460 34.130 1.00 0.00 C +ATOM 4449 HB1 MET 289 35.488 56.404 34.592 1.00 0.00 H +ATOM 4450 HB2 MET 289 35.680 54.698 34.922 1.00 0.00 H +ATOM 4451 CG MET 289 37.350 55.520 33.810 1.00 0.00 C +ATOM 4452 HG1 MET 289 37.740 54.508 33.570 1.00 0.00 H +ATOM 4453 HG2 MET 289 37.460 56.200 32.940 1.00 0.00 H +ATOM 4454 SD MET 289 38.340 56.120 35.220 1.00 0.00 S +ATOM 4455 CE MET 289 39.940 55.420 34.870 1.00 0.00 C +ATOM 4456 HE1 MET 289 40.588 55.580 35.758 1.00 0.00 H +ATOM 4457 HE2 MET 289 39.960 54.332 34.650 1.00 0.00 H +ATOM 4458 HE3 MET 289 40.370 55.910 33.970 1.00 0.00 H +ATOM 4459 C MET 289 35.290 53.730 32.350 1.00 0.00 C +ATOM 4460 O MET 289 36.010 52.970 33.010 1.00 0.00 O +ATOM 4461 N PRO 290 34.610 53.200 31.290 1.00 0.00 N +ATOM 4462 CD PRO 290 34.060 54.020 30.230 1.00 0.00 C +ATOM 4463 HD1 PRO 290 34.752 54.852 29.980 1.00 0.00 H +ATOM 4464 HD2 PRO 290 33.050 54.430 30.440 1.00 0.00 H +ATOM 4465 CA PRO 290 34.840 51.830 30.900 1.00 0.00 C +ATOM 4466 HA PRO 290 34.570 51.180 31.720 1.00 0.00 H +ATOM 4467 CB PRO 290 33.880 51.700 29.700 1.00 0.00 C +ATOM 4468 HB1 PRO 290 34.182 50.886 29.006 1.00 0.00 H +ATOM 4469 HB2 PRO 290 32.880 51.400 30.080 1.00 0.00 H +ATOM 4470 CG PRO 290 33.870 53.080 29.030 1.00 0.00 C +ATOM 4471 HG1 PRO 290 34.712 53.130 28.308 1.00 0.00 H +ATOM 4472 HG2 PRO 290 32.856 53.180 28.588 1.00 0.00 H +ATOM 4473 C PRO 290 36.310 51.350 30.540 1.00 0.00 C +ATOM 4474 O PRO 290 37.110 52.070 29.920 1.00 0.00 O +ATOM 4475 N CYS 291 36.790 50.120 30.940 1.00 0.00 N +ATOM 4476 HN CYS 291 36.080 49.600 31.410 1.00 0.00 H +ATOM 4477 CA CYS 291 38.100 49.490 30.720 1.00 0.00 C +ATOM 4478 HA CYS 291 38.732 50.202 30.208 1.00 0.00 H +ATOM 4479 CB CYS 291 38.910 49.060 31.980 1.00 0.00 C +ATOM 4480 HB1 CYS 291 39.948 48.820 31.660 1.00 0.00 H +ATOM 4481 HB2 CYS 291 39.020 50.000 32.560 1.00 0.00 H +ATOM 4482 SG CYS 291 38.230 47.880 33.110 1.00 0.00 S +ATOM 4483 HG1 CYS 291 39.320 47.140 32.970 1.00 0.00 H +ATOM 4484 C CYS 291 38.100 48.280 29.780 1.00 0.00 C +ATOM 4485 O CYS 291 39.110 47.630 29.460 1.00 0.00 O +ATOM 4486 N GLY 292 36.910 47.880 29.340 1.00 0.00 N +ATOM 4487 HN GLY 292 36.064 48.268 29.698 1.00 0.00 H +ATOM 4488 CA GLY 292 36.840 46.730 28.470 1.00 0.00 C +ATOM 4489 HA1 GLY 292 37.568 45.982 28.750 1.00 0.00 H +ATOM 4490 HA2 GLY 292 35.832 46.342 28.440 1.00 0.00 H +ATOM 4491 C GLY 292 37.050 47.100 27.090 1.00 0.00 C +ATOM 4492 O GLY 292 36.280 47.930 26.560 1.00 0.00 O +ATOM 4493 N ASN 293 38.050 46.450 26.440 1.00 0.00 N +ATOM 4494 HN ASN 293 38.570 45.770 26.950 1.00 0.00 H +ATOM 4495 CA ASN 293 38.520 46.650 25.050 1.00 0.00 C +ATOM 4496 HA ASN 293 38.260 47.630 24.680 1.00 0.00 H +ATOM 4497 CB ASN 293 40.100 46.430 25.200 1.00 0.00 C +ATOM 4498 HB1 ASN 293 40.338 45.466 25.698 1.00 0.00 H +ATOM 4499 HB2 ASN 293 40.600 46.220 24.230 1.00 0.00 H +ATOM 4500 CG ASN 293 40.590 47.670 25.930 1.00 0.00 C +ATOM 4501 OD1 ASN 293 40.450 48.770 25.420 1.00 0.00 O +ATOM 4502 ND2 ASN 293 41.290 47.380 27.040 1.00 0.00 N +ATOM 4503 1HD2 ASN 293 41.370 46.428 27.338 1.00 0.00 H +ATOM 4504 2HD2 ASN 293 41.700 48.160 27.510 1.00 0.00 H +ATOM 4505 C ASN 293 38.140 45.430 24.120 1.00 0.00 C +ATOM 4506 O ASN 293 38.880 44.480 24.160 1.00 0.00 O +ATOM 4507 N VAL 294 36.990 45.420 23.420 1.00 0.00 N +ATOM 4508 HN VAL 294 36.392 46.218 23.420 1.00 0.00 H +ATOM 4509 CA VAL 294 36.410 44.210 22.810 1.00 0.00 C +ATOM 4510 HA VAL 294 36.840 43.380 23.350 1.00 0.00 H +ATOM 4511 CB VAL 294 34.930 44.100 22.760 1.00 0.00 C +ATOM 4512 HB VAL 294 34.478 44.822 22.048 1.00 0.00 H +ATOM 4513 CG1 VAL 294 34.490 42.690 22.240 1.00 0.00 C +ATOM 4514 1HG1 VAL 294 33.400 42.530 22.380 1.00 0.00 H +ATOM 4515 2HG1 VAL 294 34.740 42.590 21.162 1.00 0.00 H +ATOM 4516 3HG1 VAL 294 34.968 41.864 22.808 1.00 0.00 H +ATOM 4517 CG2 VAL 294 34.390 44.320 24.190 1.00 0.00 C +ATOM 4518 1HG2 VAL 294 35.012 43.738 24.902 1.00 0.00 H +ATOM 4519 2HG2 VAL 294 34.270 45.408 24.380 1.00 0.00 H +ATOM 4520 3HG2 VAL 294 33.342 43.970 24.300 1.00 0.00 H +ATOM 4521 C VAL 294 36.910 44.240 21.370 1.00 0.00 C +ATOM 4522 O VAL 294 36.860 45.300 20.700 1.00 0.00 O +ATOM 4523 N VAL 295 37.530 43.140 20.890 1.00 0.00 N +ATOM 4524 HN VAL 295 37.740 42.288 21.362 1.00 0.00 H +ATOM 4525 CA VAL 295 38.160 43.070 19.590 1.00 0.00 C +ATOM 4526 HA VAL 295 37.882 43.896 18.952 1.00 0.00 H +ATOM 4527 CB VAL 295 39.730 42.970 19.710 1.00 0.00 C +ATOM 4528 HB VAL 295 40.208 42.850 18.714 1.00 0.00 H +ATOM 4529 CG1 VAL 295 40.270 44.300 20.270 1.00 0.00 C +ATOM 4530 1HG1 VAL 295 39.602 44.538 21.126 1.00 0.00 H +ATOM 4531 2HG1 VAL 295 41.300 44.060 20.610 1.00 0.00 H +ATOM 4532 3HG1 VAL 295 40.270 45.152 19.558 1.00 0.00 H +ATOM 4533 CG2 VAL 295 40.250 41.780 20.600 1.00 0.00 C +ATOM 4534 1HG2 VAL 295 41.354 41.660 20.630 1.00 0.00 H +ATOM 4535 2HG2 VAL 295 40.020 41.960 21.672 1.00 0.00 H +ATOM 4536 3HG2 VAL 295 39.742 40.824 20.350 1.00 0.00 H +ATOM 4537 C VAL 295 37.630 41.770 19.010 1.00 0.00 C +ATOM 4538 O VAL 295 36.890 40.970 19.600 1.00 0.00 O +ATOM 4539 N LEU 296 37.810 41.620 17.710 1.00 0.00 N +ATOM 4540 HN LEU 296 38.372 42.212 17.138 1.00 0.00 H +ATOM 4541 CA LEU 296 37.590 40.340 17.080 1.00 0.00 C +ATOM 4542 HA LEU 296 37.060 39.710 17.780 1.00 0.00 H +ATOM 4543 CB LEU 296 36.770 40.350 15.750 1.00 0.00 C +ATOM 4544 HB1 LEU 296 37.458 40.780 14.992 1.00 0.00 H +ATOM 4545 HB2 LEU 296 36.580 39.280 15.520 1.00 0.00 H +ATOM 4546 CG LEU 296 35.380 41.020 15.830 1.00 0.00 C +ATOM 4547 HG LEU 296 35.500 42.118 15.960 1.00 0.00 H +ATOM 4548 CD1 LEU 296 34.760 40.920 14.390 1.00 0.00 C +ATOM 4549 1HD1 LEU 296 33.836 41.532 14.330 1.00 0.00 H +ATOM 4550 2HD1 LEU 296 35.530 41.200 13.640 1.00 0.00 H +ATOM 4551 3HD1 LEU 296 34.510 39.846 14.250 1.00 0.00 H +ATOM 4552 CD2 LEU 296 34.490 40.340 16.880 1.00 0.00 C +ATOM 4553 1HD2 LEU 296 34.930 40.390 17.900 1.00 0.00 H +ATOM 4554 2HD2 LEU 296 33.540 40.910 16.950 1.00 0.00 H +ATOM 4555 3HD2 LEU 296 34.178 39.286 16.720 1.00 0.00 H +ATOM 4556 C LEU 296 38.960 39.660 17.000 1.00 0.00 C +ATOM 4557 O LEU 296 39.970 40.230 16.560 1.00 0.00 O +ATOM 4558 N ASP 297 38.970 38.420 17.470 1.00 0.00 N +ATOM 4559 HN ASP 297 38.102 37.962 17.650 1.00 0.00 H +ATOM 4560 CA ASP 297 40.120 37.540 17.450 1.00 0.00 C +ATOM 4561 HA ASP 297 40.972 38.172 17.650 1.00 0.00 H +ATOM 4562 CB ASP 297 39.870 36.440 18.560 1.00 0.00 C +ATOM 4563 HB1 ASP 297 40.888 36.060 18.790 1.00 0.00 H +ATOM 4564 HB2 ASP 297 39.582 36.998 19.476 1.00 0.00 H +ATOM 4565 CG ASP 297 38.910 35.300 18.260 1.00 0.00 C +ATOM 4566 OD1 ASP 297 38.450 35.070 17.090 1.00 0.00 O +ATOM 4567 OD2 ASP 297 38.670 34.620 19.250 1.00 0.00 O +ATOM 4568 C ASP 297 40.280 36.870 16.100 1.00 0.00 C +ATOM 4569 O ASP 297 39.640 37.120 15.080 1.00 0.00 O +ATOM 4570 N ALA 298 41.320 35.940 16.050 1.00 0.00 N +ATOM 4571 HN ALA 298 41.928 35.850 16.836 1.00 0.00 H +ATOM 4572 CA ALA 298 41.680 35.240 14.870 1.00 0.00 C +ATOM 4573 HA ALA 298 41.988 35.968 14.132 1.00 0.00 H +ATOM 4574 CB ALA 298 43.030 34.440 15.100 1.00 0.00 C +ATOM 4575 HB1 ALA 298 43.288 33.794 14.234 1.00 0.00 H +ATOM 4576 HB2 ALA 298 43.852 35.182 15.190 1.00 0.00 H +ATOM 4577 HB3 ALA 298 42.950 33.832 16.026 1.00 0.00 H +ATOM 4578 C ALA 298 40.690 34.430 14.110 1.00 0.00 C +ATOM 4579 O ALA 298 40.760 34.300 12.860 1.00 0.00 O +ATOM 4580 N GLU 299 39.710 33.910 14.770 1.00 0.00 N +ATOM 4581 HN GLU 299 39.680 34.200 15.722 1.00 0.00 H +ATOM 4582 CA GLU 299 38.620 33.020 14.360 1.00 0.00 C +ATOM 4583 HA GLU 299 38.940 32.468 13.488 1.00 0.00 H +ATOM 4584 CB GLU 299 38.470 31.910 15.440 1.00 0.00 C +ATOM 4585 HB1 GLU 299 38.000 32.520 16.240 1.00 0.00 H +ATOM 4586 HB2 GLU 299 37.720 31.200 15.030 1.00 0.00 H +ATOM 4587 CG GLU 299 39.710 31.110 15.870 1.00 0.00 C +ATOM 4588 HG1 GLU 299 40.158 30.562 15.014 1.00 0.00 H +ATOM 4589 HG2 GLU 299 40.522 31.802 16.180 1.00 0.00 H +ATOM 4590 CD GLU 299 39.420 30.100 16.930 1.00 0.00 C +ATOM 4591 OE1 GLU 299 40.410 29.550 17.430 1.00 0.00 O +ATOM 4592 OE2 GLU 299 38.220 29.820 17.200 1.00 0.00 O +ATOM 4593 C GLU 299 37.340 33.760 14.090 1.00 0.00 C +ATOM 4594 O GLU 299 36.310 33.220 13.640 1.00 0.00 O +ATOM 4595 N GLY 300 37.380 35.040 14.400 1.00 0.00 N +ATOM 4596 HN GLY 300 38.182 35.370 14.892 1.00 0.00 H +ATOM 4597 CA GLY 300 36.280 36.000 14.140 1.00 0.00 C +ATOM 4598 HA1 GLY 300 36.738 36.918 13.800 1.00 0.00 H +ATOM 4599 HA2 GLY 300 35.610 35.720 13.340 1.00 0.00 H +ATOM 4600 C GLY 300 35.400 36.320 15.350 1.00 0.00 C +ATOM 4601 O GLY 300 34.220 36.580 15.110 1.00 0.00 O +ATOM 4602 N GLN 301 35.780 36.020 16.630 1.00 0.00 N +ATOM 4603 HN GLN 301 36.714 35.800 16.900 1.00 0.00 H +ATOM 4604 CA GLN 301 34.850 36.060 17.700 1.00 0.00 C +ATOM 4605 HA GLN 301 33.842 36.290 17.390 1.00 0.00 H +ATOM 4606 CB GLN 301 34.930 34.780 18.500 1.00 0.00 C +ATOM 4607 HB1 GLN 301 35.962 34.700 18.902 1.00 0.00 H +ATOM 4608 HB2 GLN 301 34.344 34.780 19.444 1.00 0.00 H +ATOM 4609 CG GLN 301 34.530 33.550 17.630 1.00 0.00 C +ATOM 4610 HG1 GLN 301 35.250 33.460 16.790 1.00 0.00 H +ATOM 4611 HG2 GLN 301 34.590 32.760 18.410 1.00 0.00 H +ATOM 4612 CD GLN 301 33.050 33.610 17.060 1.00 0.00 C +ATOM 4613 OE1 GLN 301 32.030 33.660 17.760 1.00 0.00 O +ATOM 4614 NE2 GLN 301 32.930 33.520 15.680 1.00 0.00 N +ATOM 4615 1HE2 GLN 301 33.786 33.480 15.162 1.00 0.00 H +ATOM 4616 2HE2 GLN 301 32.046 33.700 15.248 1.00 0.00 H +ATOM 4617 C GLN 301 35.190 37.170 18.640 1.00 0.00 C +ATOM 4618 O GLN 301 36.360 37.540 18.690 1.00 0.00 O +ATOM 4619 N GLU 302 34.250 37.690 19.450 1.00 0.00 N +ATOM 4620 HN GLU 302 33.278 37.480 19.370 1.00 0.00 H +ATOM 4621 CA GLU 302 34.550 38.690 20.440 1.00 0.00 C +ATOM 4622 HA GLU 302 35.038 39.516 19.942 1.00 0.00 H +ATOM 4623 CB GLU 302 33.190 39.200 20.970 1.00 0.00 C +ATOM 4624 HB1 GLU 302 32.668 38.236 21.150 1.00 0.00 H +ATOM 4625 HB2 GLU 302 33.370 39.730 21.930 1.00 0.00 H +ATOM 4626 CG GLU 302 32.300 39.980 19.990 1.00 0.00 C +ATOM 4627 HG1 GLU 302 32.758 40.978 19.820 1.00 0.00 H +ATOM 4628 HG2 GLU 302 32.110 39.498 19.008 1.00 0.00 H +ATOM 4629 CD GLU 302 30.910 40.310 20.550 1.00 0.00 C +ATOM 4630 OE1 GLU 302 30.190 41.100 19.870 1.00 0.00 O +ATOM 4631 OE2 GLU 302 30.400 39.600 21.460 1.00 0.00 O +ATOM 4632 C GLU 302 35.500 38.290 21.540 1.00 0.00 C +ATOM 4633 O GLU 302 35.450 37.180 22.050 1.00 0.00 O +ATOM 4634 N SER 303 36.340 39.220 21.980 1.00 0.00 N +ATOM 4635 HN SER 303 36.640 39.990 21.420 1.00 0.00 H +ATOM 4636 CA SER 303 37.160 38.900 23.140 1.00 0.00 C +ATOM 4637 HA SER 303 36.608 38.218 23.772 1.00 0.00 H +ATOM 4638 CB SER 303 38.500 38.210 22.830 1.00 0.00 C +ATOM 4639 HB1 SER 303 38.280 37.372 22.132 1.00 0.00 H +ATOM 4640 HB2 SER 303 39.192 38.922 22.330 1.00 0.00 H +ATOM 4641 OG SER 303 39.080 37.640 23.950 1.00 0.00 O +ATOM 4642 HG1 SER 303 39.698 36.992 23.602 1.00 0.00 H +ATOM 4643 C SER 303 37.460 40.240 23.770 1.00 0.00 C +ATOM 4644 O SER 303 37.710 41.170 22.960 1.00 0.00 O +ATOM 4645 N GLU 304 37.440 40.470 25.110 1.00 0.00 N +ATOM 4646 HN GLU 304 37.280 39.656 25.662 1.00 0.00 H +ATOM 4647 CA GLU 304 37.710 41.730 25.730 1.00 0.00 C +ATOM 4648 HA GLU 304 37.550 42.460 24.950 1.00 0.00 H +ATOM 4649 CB GLU 304 36.700 42.080 26.840 1.00 0.00 C +ATOM 4650 HB1 GLU 304 35.712 42.040 26.332 1.00 0.00 H +ATOM 4651 HB2 GLU 304 36.710 41.192 27.508 1.00 0.00 H +ATOM 4652 CG GLU 304 37.000 43.480 27.570 1.00 0.00 C +ATOM 4653 HG1 GLU 304 38.084 43.610 27.778 1.00 0.00 H +ATOM 4654 HG2 GLU 304 36.680 44.130 26.728 1.00 0.00 H +ATOM 4655 CD GLU 304 36.090 43.630 28.740 1.00 0.00 C +ATOM 4656 OE1 GLU 304 36.670 43.940 29.810 1.00 0.00 O +ATOM 4657 OE2 GLU 304 34.850 43.580 28.710 1.00 0.00 O +ATOM 4658 C GLU 304 39.180 41.700 26.330 1.00 0.00 C +ATOM 4659 O GLU 304 39.400 40.910 27.260 1.00 0.00 O +ATOM 4660 N LEU 305 40.120 42.550 25.880 1.00 0.00 N +ATOM 4661 HN LEU 305 39.940 43.142 25.098 1.00 0.00 H +ATOM 4662 CA LEU 305 41.490 42.600 26.290 1.00 0.00 C +ATOM 4663 HA LEU 305 41.770 41.592 26.560 1.00 0.00 H +ATOM 4664 CB LEU 305 42.510 43.040 25.160 1.00 0.00 C +ATOM 4665 HB1 LEU 305 42.320 44.116 24.950 1.00 0.00 H +ATOM 4666 HB2 LEU 305 43.542 42.940 25.560 1.00 0.00 H +ATOM 4667 CG LEU 305 42.250 42.260 23.850 1.00 0.00 C +ATOM 4668 HG LEU 305 41.434 42.708 23.242 1.00 0.00 H +ATOM 4669 CD1 LEU 305 43.460 42.380 22.890 1.00 0.00 C +ATOM 4670 1HD1 LEU 305 44.366 41.962 23.378 1.00 0.00 H +ATOM 4671 2HD1 LEU 305 43.310 41.726 22.006 1.00 0.00 H +ATOM 4672 3HD1 LEU 305 43.730 43.418 22.600 1.00 0.00 H +ATOM 4673 CD2 LEU 305 42.000 40.790 23.980 1.00 0.00 C +ATOM 4674 1HD2 LEU 305 41.292 40.510 24.788 1.00 0.00 H +ATOM 4675 2HD2 LEU 305 41.540 40.390 23.050 1.00 0.00 H +ATOM 4676 3HD2 LEU 305 42.902 40.170 24.170 1.00 0.00 H +ATOM 4677 C LEU 305 41.740 43.490 27.470 1.00 0.00 C +ATOM 4678 O LEU 305 41.070 44.460 27.690 1.00 0.00 O +ATOM 4679 N ASP 306 42.730 43.110 28.270 1.00 0.00 N +ATOM 4680 HN ASP 306 43.110 42.202 28.110 1.00 0.00 H +ATOM 4681 CA ASP 306 43.350 44.040 29.120 1.00 0.00 C +ATOM 4682 HA ASP 306 43.132 45.036 28.762 1.00 0.00 H +ATOM 4683 CB ASP 306 42.670 44.040 30.570 1.00 0.00 C +ATOM 4684 HB1 ASP 306 43.020 45.008 30.990 1.00 0.00 H +ATOM 4685 HB2 ASP 306 41.566 43.980 30.470 1.00 0.00 H +ATOM 4686 CG ASP 306 43.150 43.180 31.670 1.00 0.00 C +ATOM 4687 OD1 ASP 306 44.260 42.770 31.700 1.00 0.00 O +ATOM 4688 OD2 ASP 306 42.510 43.160 32.760 1.00 0.00 O +ATOM 4689 C ASP 306 44.860 43.800 29.040 1.00 0.00 C +ATOM 4690 O ASP 306 45.270 42.890 28.330 1.00 0.00 O +ATOM 4691 N TYR 307 45.670 44.630 29.680 1.00 0.00 N +ATOM 4692 HN TYR 307 45.380 45.362 30.292 1.00 0.00 H +ATOM 4693 CA TYR 307 47.120 44.490 29.590 1.00 0.00 C +ATOM 4694 HA TYR 307 47.420 44.480 28.552 1.00 0.00 H +ATOM 4695 CB TYR 307 47.870 45.690 30.150 1.00 0.00 C +ATOM 4696 HB1 TYR 307 47.810 46.434 29.326 1.00 0.00 H +ATOM 4697 HB2 TYR 307 47.480 46.130 31.092 1.00 0.00 H +ATOM 4698 CG TYR 307 49.360 45.510 30.430 1.00 0.00 C +ATOM 4699 CD1 TYR 307 49.860 45.040 31.690 1.00 0.00 C +ATOM 4700 HD1 TYR 307 49.154 45.040 32.506 1.00 0.00 H +ATOM 4701 CE1 TYR 307 51.180 44.650 31.840 1.00 0.00 C +ATOM 4702 HE1 TYR 307 51.420 44.340 32.848 1.00 0.00 H +ATOM 4703 CZ TYR 307 52.040 44.820 30.710 1.00 0.00 C +ATOM 4704 OH TYR 307 53.370 44.340 30.900 1.00 0.00 O +ATOM 4705 HH TYR 307 53.450 44.130 31.832 1.00 0.00 H +ATOM 4706 CD2 TYR 307 50.260 45.600 29.340 1.00 0.00 C +ATOM 4707 HD2 TYR 307 49.920 46.110 28.450 1.00 0.00 H +ATOM 4708 CE2 TYR 307 51.620 45.270 29.490 1.00 0.00 C +ATOM 4709 HE2 TYR 307 52.374 45.280 28.716 1.00 0.00 H +ATOM 4710 C TYR 307 47.660 43.230 30.140 1.00 0.00 C +ATOM 4711 O TYR 307 48.380 42.490 29.500 1.00 0.00 O +ATOM 4712 N GLU 308 47.360 42.900 31.420 1.00 0.00 N +ATOM 4713 HN GLU 308 46.940 43.540 32.060 1.00 0.00 H +ATOM 4714 CA GLU 308 47.810 41.650 32.010 1.00 0.00 C +ATOM 4715 HA GLU 308 48.888 41.670 31.950 1.00 0.00 H +ATOM 4716 CB GLU 308 47.140 41.520 33.390 1.00 0.00 C +ATOM 4717 HB1 GLU 308 46.080 41.850 33.420 1.00 0.00 H +ATOM 4718 HB2 GLU 308 47.100 40.450 33.690 1.00 0.00 H +ATOM 4719 CG GLU 308 47.910 42.360 34.500 1.00 0.00 C +ATOM 4720 HG1 GLU 308 47.820 41.860 35.488 1.00 0.00 H +ATOM 4721 HG2 GLU 308 48.976 42.410 34.192 1.00 0.00 H +ATOM 4722 CD GLU 308 47.480 43.790 34.680 1.00 0.00 C +ATOM 4723 OE1 GLU 308 48.330 44.750 34.670 1.00 0.00 O +ATOM 4724 OE2 GLU 308 46.310 44.040 35.010 1.00 0.00 O +ATOM 4725 C GLU 308 47.450 40.420 31.270 1.00 0.00 C +ATOM 4726 O GLU 308 48.350 39.570 31.130 1.00 0.00 O +ATOM 4727 N ASN 309 46.260 40.350 30.650 1.00 0.00 N +ATOM 4728 HN ASN 309 45.508 40.932 30.950 1.00 0.00 H +ATOM 4729 CA ASN 309 46.000 39.290 29.780 1.00 0.00 C +ATOM 4730 HA ASN 309 46.130 38.442 30.438 1.00 0.00 H +ATOM 4731 CB ASN 309 44.570 39.180 29.250 1.00 0.00 C +ATOM 4732 HB1 ASN 309 44.430 40.130 28.690 1.00 0.00 H +ATOM 4733 HB2 ASN 309 44.390 38.242 28.682 1.00 0.00 H +ATOM 4734 CG ASN 309 43.450 39.110 30.340 1.00 0.00 C +ATOM 4735 OD1 ASN 309 43.640 39.050 31.560 1.00 0.00 O +ATOM 4736 ND2 ASN 309 42.190 39.150 29.850 1.00 0.00 N +ATOM 4737 1HD2 ASN 309 42.038 39.292 28.872 1.00 0.00 H +ATOM 4738 2HD2 ASN 309 41.502 39.160 30.578 1.00 0.00 H +ATOM 4739 C ASN 309 46.890 39.270 28.520 1.00 0.00 C +ATOM 4740 O ASN 309 47.440 38.210 28.200 1.00 0.00 O +ATOM 4741 N VAL 310 47.160 40.400 27.810 1.00 0.00 N +ATOM 4742 HN VAL 310 46.818 41.284 28.122 1.00 0.00 H +ATOM 4743 CA VAL 310 47.980 40.380 26.610 1.00 0.00 C +ATOM 4744 HA VAL 310 47.730 39.548 25.968 1.00 0.00 H +ATOM 4745 CB VAL 310 47.820 41.690 25.760 1.00 0.00 C +ATOM 4746 HB VAL 310 47.790 42.532 26.482 1.00 0.00 H +ATOM 4747 CG1 VAL 310 49.000 42.010 24.770 1.00 0.00 C +ATOM 4748 1HG1 VAL 310 49.030 41.210 24.000 1.00 0.00 H +ATOM 4749 2HG1 VAL 310 48.840 43.000 24.290 1.00 0.00 H +ATOM 4750 3HG1 VAL 310 49.964 42.090 25.316 1.00 0.00 H +ATOM 4751 CG2 VAL 310 46.460 41.630 25.080 1.00 0.00 C +ATOM 4752 1HG2 VAL 310 46.530 40.714 24.454 1.00 0.00 H +ATOM 4753 2HG2 VAL 310 45.690 41.660 25.880 1.00 0.00 H +ATOM 4754 3HG2 VAL 310 46.430 42.530 24.430 1.00 0.00 H +ATOM 4755 C VAL 310 49.450 40.150 26.980 1.00 0.00 C +ATOM 4756 O VAL 310 50.230 39.440 26.290 1.00 0.00 O +ATOM 4757 N ALA 311 49.830 40.560 28.210 1.00 0.00 N +ATOM 4758 HN ALA 311 49.232 41.118 28.778 1.00 0.00 H +ATOM 4759 CA ALA 311 51.120 40.360 28.730 1.00 0.00 C +ATOM 4760 HA ALA 311 51.738 40.838 27.984 1.00 0.00 H +ATOM 4761 CB ALA 311 51.230 41.190 30.030 1.00 0.00 C +ATOM 4762 HB1 ALA 311 52.258 41.260 30.444 1.00 0.00 H +ATOM 4763 HB2 ALA 311 50.980 42.218 29.690 1.00 0.00 H +ATOM 4764 HB3 ALA 311 50.454 40.848 30.746 1.00 0.00 H +ATOM 4765 C ALA 311 51.650 38.900 28.920 1.00 0.00 C +ATOM 4766 O ALA 311 52.760 38.550 28.520 1.00 0.00 O +ATOM 4767 N LEU 312 50.810 38.080 29.580 1.00 0.00 N +ATOM 4768 HN LEU 312 49.922 38.360 29.938 1.00 0.00 H +ATOM 4769 CA LEU 312 51.140 36.640 29.870 1.00 0.00 C +ATOM 4770 HA LEU 312 52.208 36.550 29.740 1.00 0.00 H +ATOM 4771 CB LEU 312 50.640 36.270 31.320 1.00 0.00 C +ATOM 4772 HB1 LEU 312 49.530 36.310 31.300 1.00 0.00 H +ATOM 4773 HB2 LEU 312 50.980 35.228 31.500 1.00 0.00 H +ATOM 4774 CG LEU 312 51.200 36.950 32.550 1.00 0.00 C +ATOM 4775 HG LEU 312 50.950 36.308 33.422 1.00 0.00 H +ATOM 4776 CD1 LEU 312 52.810 36.980 32.430 1.00 0.00 C +ATOM 4777 1HD1 LEU 312 53.220 37.482 33.332 1.00 0.00 H +ATOM 4778 2HD1 LEU 312 53.228 35.954 32.350 1.00 0.00 H +ATOM 4779 3HD1 LEU 312 53.162 37.522 31.526 1.00 0.00 H +ATOM 4780 CD2 LEU 312 50.680 38.390 32.760 1.00 0.00 C +ATOM 4781 1HD2 LEU 312 49.578 38.330 32.880 1.00 0.00 H +ATOM 4782 2HD2 LEU 312 51.000 38.822 33.732 1.00 0.00 H +ATOM 4783 3HD2 LEU 312 50.880 38.942 31.816 1.00 0.00 H +ATOM 4784 C LEU 312 50.740 35.650 28.810 1.00 0.00 C +ATOM 4785 O LEU 312 51.230 34.570 28.900 1.00 0.00 O +ATOM 4786 N LEU 313 49.890 36.060 27.900 1.00 0.00 N +ATOM 4787 HN LEU 313 49.460 36.958 27.960 1.00 0.00 H +ATOM 4788 CA LEU 313 49.400 35.210 26.840 1.00 0.00 C +ATOM 4789 HA LEU 313 49.780 34.208 26.970 1.00 0.00 H +ATOM 4790 CB LEU 313 47.840 35.230 26.750 1.00 0.00 C +ATOM 4791 HB1 LEU 313 47.468 36.244 26.490 1.00 0.00 H +ATOM 4792 HB2 LEU 313 47.570 34.540 25.922 1.00 0.00 H +ATOM 4793 CG LEU 313 47.250 34.620 28.090 1.00 0.00 C +ATOM 4794 HG LEU 313 47.710 35.132 28.962 1.00 0.00 H +ATOM 4795 CD1 LEU 313 45.700 34.790 28.160 1.00 0.00 C +ATOM 4796 1HD1 LEU 313 45.478 35.878 28.190 1.00 0.00 H +ATOM 4797 2HD1 LEU 313 45.248 34.348 27.246 1.00 0.00 H +ATOM 4798 3HD1 LEU 313 45.360 34.262 29.078 1.00 0.00 H +ATOM 4799 CD2 LEU 313 47.590 33.140 28.280 1.00 0.00 C +ATOM 4800 1HD2 LEU 313 47.308 32.668 29.244 1.00 0.00 H +ATOM 4801 2HD2 LEU 313 47.110 32.630 27.418 1.00 0.00 H +ATOM 4802 3HD2 LEU 313 48.694 33.050 28.200 1.00 0.00 H +ATOM 4803 C LEU 313 49.960 35.600 25.510 1.00 0.00 C +ATOM 4804 O LEU 313 49.840 34.880 24.500 1.00 0.00 O +ATOM 4805 N GLY 314 50.770 36.640 25.480 1.00 0.00 N +ATOM 4806 HN GLY 314 50.850 37.212 26.292 1.00 0.00 H +ATOM 4807 CA GLY 314 51.420 37.170 24.290 1.00 0.00 C +ATOM 4808 HA1 GLY 314 51.180 36.500 23.478 1.00 0.00 H +ATOM 4809 HA2 GLY 314 50.952 38.116 24.060 1.00 0.00 H +ATOM 4810 C GLY 314 52.830 37.290 24.280 1.00 0.00 C +ATOM 4811 O GLY 314 53.500 36.380 23.820 1.00 0.00 O +ATOM 4812 N SER 315 53.370 38.430 24.800 1.00 0.00 N +ATOM 4813 HN SER 315 52.898 39.274 25.042 1.00 0.00 H +ATOM 4814 CA SER 315 54.800 38.520 24.880 1.00 0.00 C +ATOM 4815 HA SER 315 55.230 38.520 23.890 1.00 0.00 H +ATOM 4816 CB SER 315 55.290 39.860 25.600 1.00 0.00 C +ATOM 4817 HB1 SER 315 56.396 39.970 25.620 1.00 0.00 H +ATOM 4818 HB2 SER 315 54.890 40.712 25.010 1.00 0.00 H +ATOM 4819 OG SER 315 54.690 40.100 26.810 1.00 0.00 O +ATOM 4820 HG1 SER 315 55.248 39.730 27.498 1.00 0.00 H +ATOM 4821 C SER 315 55.470 37.390 25.710 1.00 0.00 C +ATOM 4822 O SER 315 56.440 36.730 25.400 1.00 0.00 O +ATOM 4823 N ASN 316 54.860 37.020 26.820 1.00 0.00 N +ATOM 4824 HN ASN 316 54.136 37.586 27.208 1.00 0.00 H +ATOM 4825 CA ASN 316 55.360 36.010 27.730 1.00 0.00 C +ATOM 4826 HA ASN 316 56.402 36.240 27.900 1.00 0.00 H +ATOM 4827 CB ASN 316 54.560 35.930 29.020 1.00 0.00 C +ATOM 4828 HB1 ASN 316 54.430 36.970 29.390 1.00 0.00 H +ATOM 4829 HB2 ASN 316 53.604 35.376 28.920 1.00 0.00 H +ATOM 4830 CG ASN 316 55.490 35.240 30.010 1.00 0.00 C +ATOM 4831 OD1 ASN 316 56.640 35.660 30.290 1.00 0.00 O +ATOM 4832 ND2 ASN 316 54.990 34.160 30.540 1.00 0.00 N +ATOM 4833 1HD2 ASN 316 54.034 33.920 30.370 1.00 0.00 H +ATOM 4834 2HD2 ASN 316 55.518 33.522 31.098 1.00 0.00 H +ATOM 4835 C ASN 316 55.380 34.580 27.050 1.00 0.00 C +ATOM 4836 O ASN 316 56.120 33.690 27.410 1.00 0.00 O +ATOM 4837 N LEU 317 54.580 34.440 25.990 1.00 0.00 N +ATOM 4838 HN LEU 317 54.094 35.264 25.712 1.00 0.00 H +ATOM 4839 CA LEU 317 54.510 33.280 25.220 1.00 0.00 C +ATOM 4840 HA LEU 317 54.958 32.542 25.868 1.00 0.00 H +ATOM 4841 CB LEU 317 53.070 32.760 24.950 1.00 0.00 C +ATOM 4842 HB1 LEU 317 52.482 33.358 24.222 1.00 0.00 H +ATOM 4843 HB2 LEU 317 53.260 31.738 24.560 1.00 0.00 H +ATOM 4844 CG LEU 317 52.210 32.670 26.230 1.00 0.00 C +ATOM 4845 HG LEU 317 51.968 33.684 26.612 1.00 0.00 H +ATOM 4846 CD1 LEU 317 50.920 31.860 25.890 1.00 0.00 C +ATOM 4847 1HD1 LEU 317 50.372 32.000 26.846 1.00 0.00 H +ATOM 4848 2HD1 LEU 317 50.262 32.288 25.102 1.00 0.00 H +ATOM 4849 3HD1 LEU 317 51.102 30.792 25.648 1.00 0.00 H +ATOM 4850 CD2 LEU 317 52.860 31.910 27.440 1.00 0.00 C +ATOM 4851 1HD2 LEU 317 53.520 32.570 28.040 1.00 0.00 H +ATOM 4852 2HD2 LEU 317 52.120 31.450 28.130 1.00 0.00 H +ATOM 4853 3HD2 LEU 317 53.482 31.056 27.098 1.00 0.00 H +ATOM 4854 C LEU 317 55.310 33.380 23.920 1.00 0.00 C +ATOM 4855 O LEU 317 55.440 32.390 23.260 1.00 0.00 O +ATOM 4856 N GLY 318 55.900 34.500 23.520 1.00 0.00 N +ATOM 4857 HN GLY 318 55.730 35.262 24.140 1.00 0.00 H +ATOM 4858 CA GLY 318 56.620 34.810 22.280 1.00 0.00 C +ATOM 4859 HA1 GLY 318 57.078 35.778 22.420 1.00 0.00 H +ATOM 4860 HA2 GLY 318 57.318 34.034 22.002 1.00 0.00 H +ATOM 4861 C GLY 318 55.710 34.850 21.040 1.00 0.00 C +ATOM 4862 O GLY 318 56.160 34.590 19.910 1.00 0.00 O +ATOM 4863 N ILE 319 54.390 35.180 21.230 1.00 0.00 N +ATOM 4864 HN ILE 319 53.920 35.310 22.100 1.00 0.00 H +ATOM 4865 CA ILE 319 53.390 35.250 20.160 1.00 0.00 C +ATOM 4866 HA ILE 319 53.742 34.838 19.226 1.00 0.00 H +ATOM 4867 CB ILE 319 52.050 34.660 20.470 1.00 0.00 C +ATOM 4868 HB ILE 319 51.610 35.280 21.280 1.00 0.00 H +ATOM 4869 CG2 ILE 319 51.150 34.650 19.160 1.00 0.00 C +ATOM 4870 1HG2 ILE 319 51.582 33.838 18.538 1.00 0.00 H +ATOM 4871 2HG2 ILE 319 50.136 34.328 19.482 1.00 0.00 H +ATOM 4872 3HG2 ILE 319 51.020 35.646 18.682 1.00 0.00 H +ATOM 4873 CG1 ILE 319 52.200 33.180 20.920 1.00 0.00 C +ATOM 4874 1HG1 ILE 319 52.500 32.600 20.020 1.00 0.00 H +ATOM 4875 2HG1 ILE 319 53.064 33.040 21.604 1.00 0.00 H +ATOM 4876 CD ILE 319 50.890 32.640 21.520 1.00 0.00 C +ATOM 4877 HD1 ILE 319 50.500 33.468 22.150 1.00 0.00 H +ATOM 4878 HD2 ILE 319 50.066 32.470 20.796 1.00 0.00 H +ATOM 4879 HD3 ILE 319 51.098 31.696 22.068 1.00 0.00 H +ATOM 4880 C ILE 319 53.160 36.680 19.780 1.00 0.00 C +ATOM 4881 O ILE 319 52.970 37.540 20.610 1.00 0.00 O +ATOM 4882 N GLY 320 53.190 36.940 18.410 1.00 0.00 N +ATOM 4883 HN GLY 320 53.090 36.370 17.598 1.00 0.00 H +ATOM 4884 CA GLY 320 53.420 38.350 17.970 1.00 0.00 C +ATOM 4885 HA1 GLY 320 53.720 39.032 18.752 1.00 0.00 H +ATOM 4886 HA2 GLY 320 54.172 38.220 17.208 1.00 0.00 H +ATOM 4887 C GLY 320 52.340 38.980 17.120 1.00 0.00 C +ATOM 4888 O GLY 320 52.500 39.980 16.460 1.00 0.00 O +ATOM 4889 N LYS 321 51.160 38.290 17.070 1.00 0.00 N +ATOM 4890 HN LYS 321 51.050 37.536 17.714 1.00 0.00 H +ATOM 4891 CA LYS 321 49.980 38.790 16.450 1.00 0.00 C +ATOM 4892 HA LYS 321 50.170 39.718 15.932 1.00 0.00 H +ATOM 4893 CB LYS 321 49.460 37.790 15.360 1.00 0.00 C +ATOM 4894 HB1 LYS 321 49.270 36.820 15.870 1.00 0.00 H +ATOM 4895 HB2 LYS 321 48.456 38.102 14.998 1.00 0.00 H +ATOM 4896 CG LYS 321 50.540 37.590 14.290 1.00 0.00 C +ATOM 4897 HG1 LYS 321 50.740 38.550 13.770 1.00 0.00 H +ATOM 4898 HG2 LYS 321 51.444 37.158 14.772 1.00 0.00 H +ATOM 4899 CD LYS 321 49.980 36.650 13.170 1.00 0.00 C +ATOM 4900 HD1 LYS 321 49.190 36.060 13.680 1.00 0.00 H +ATOM 4901 HD2 LYS 321 49.438 37.212 12.378 1.00 0.00 H +ATOM 4902 CE LYS 321 50.950 35.570 12.690 1.00 0.00 C +ATOM 4903 HE1 LYS 321 51.698 36.048 12.022 1.00 0.00 H +ATOM 4904 HE2 LYS 321 51.332 34.906 13.494 1.00 0.00 H +ATOM 4905 NZ LYS 321 50.190 34.670 11.750 1.00 0.00 N +ATOM 4906 HZ1 LYS 321 50.928 34.042 11.372 1.00 0.00 H +ATOM 4907 HZ2 LYS 321 49.540 34.110 12.340 1.00 0.00 H +ATOM 4908 HZ3 LYS 321 49.758 35.202 10.968 1.00 0.00 H +ATOM 4909 C LYS 321 48.940 38.930 17.540 1.00 0.00 C +ATOM 4910 O LYS 321 48.710 37.940 18.250 1.00 0.00 O +ATOM 4911 N LEU 322 48.350 40.080 17.700 1.00 0.00 N +ATOM 4912 HN LEU 322 48.380 40.786 16.994 1.00 0.00 H +ATOM 4913 CA LEU 322 47.350 40.290 18.750 1.00 0.00 C +ATOM 4914 HA LEU 322 47.810 40.030 19.692 1.00 0.00 H +ATOM 4915 CB LEU 322 47.100 41.810 18.830 1.00 0.00 C +ATOM 4916 HB1 LEU 322 48.048 42.388 18.800 1.00 0.00 H +ATOM 4917 HB2 LEU 322 46.602 42.078 17.874 1.00 0.00 H +ATOM 4918 CG LEU 322 46.290 42.330 20.090 1.00 0.00 C +ATOM 4919 HG LEU 322 45.248 41.950 20.130 1.00 0.00 H +ATOM 4920 CD1 LEU 322 47.090 42.040 21.410 1.00 0.00 C +ATOM 4921 1HD1 LEU 322 46.910 41.032 21.840 1.00 0.00 H +ATOM 4922 2HD1 LEU 322 48.174 42.090 21.172 1.00 0.00 H +ATOM 4923 3HD1 LEU 322 46.890 42.740 22.250 1.00 0.00 H +ATOM 4924 CD2 LEU 322 46.150 43.900 20.080 1.00 0.00 C +ATOM 4925 1HD2 LEU 322 45.918 44.282 21.096 1.00 0.00 H +ATOM 4926 2HD2 LEU 322 47.178 44.270 19.880 1.00 0.00 H +ATOM 4927 3HD2 LEU 322 45.424 44.228 19.304 1.00 0.00 H +ATOM 4928 C LEU 322 46.030 39.470 18.570 1.00 0.00 C +ATOM 4929 O LEU 322 45.510 39.030 19.570 1.00 0.00 O +ATOM 4930 N ASN 323 45.550 39.330 17.310 1.00 0.00 N +ATOM 4931 HN ASN 323 45.868 39.808 16.494 1.00 0.00 H +ATOM 4932 CA ASN 323 44.370 38.520 16.990 1.00 0.00 C +ATOM 4933 HA ASN 323 43.588 38.942 17.602 1.00 0.00 H +ATOM 4934 CB ASN 323 43.970 38.720 15.550 1.00 0.00 C +ATOM 4935 HB1 ASN 323 42.938 38.350 15.370 1.00 0.00 H +ATOM 4936 HB2 ASN 323 43.980 39.802 15.300 1.00 0.00 H +ATOM 4937 CG ASN 323 44.770 38.060 14.440 1.00 0.00 C +ATOM 4938 OD1 ASN 323 45.940 37.800 14.700 1.00 0.00 O +ATOM 4939 ND2 ASN 323 44.160 37.670 13.300 1.00 0.00 N +ATOM 4940 1HD2 ASN 323 43.190 37.880 13.170 1.00 0.00 H +ATOM 4941 2HD2 ASN 323 44.700 37.410 12.500 1.00 0.00 H +ATOM 4942 C ASN 323 44.540 36.960 17.350 1.00 0.00 C +ATOM 4943 O ASN 323 43.600 36.350 17.860 1.00 0.00 O +ATOM 4944 N GLU 324 45.720 36.360 17.250 1.00 0.00 N +ATOM 4945 HN GLU 324 46.446 36.848 16.772 1.00 0.00 H +ATOM 4946 CA GLU 324 46.140 35.090 17.830 1.00 0.00 C +ATOM 4947 HA GLU 324 45.448 34.288 17.620 1.00 0.00 H +ATOM 4948 CB GLU 324 47.510 34.770 17.330 1.00 0.00 C +ATOM 4949 HB1 GLU 324 48.222 35.592 17.560 1.00 0.00 H +ATOM 4950 HB2 GLU 324 48.058 33.904 17.758 1.00 0.00 H +ATOM 4951 CG GLU 324 47.400 34.440 15.820 1.00 0.00 C +ATOM 4952 HG1 GLU 324 46.604 33.684 15.650 1.00 0.00 H +ATOM 4953 HG2 GLU 324 47.210 35.362 15.230 1.00 0.00 H +ATOM 4954 CD GLU 324 48.720 33.920 15.140 1.00 0.00 C +ATOM 4955 OE1 GLU 324 48.700 33.400 14.010 1.00 0.00 O +ATOM 4956 OE2 GLU 324 49.790 34.030 15.820 1.00 0.00 O +ATOM 4957 C GLU 324 46.210 35.100 19.320 1.00 0.00 C +ATOM 4958 O GLU 324 45.710 34.220 20.000 1.00 0.00 O +ATOM 4959 N VAL 325 46.680 36.160 19.930 1.00 0.00 N +ATOM 4960 HN VAL 325 47.108 36.868 19.372 1.00 0.00 H +ATOM 4961 CA VAL 325 46.660 36.410 21.400 1.00 0.00 C +ATOM 4962 HA VAL 325 46.988 35.556 21.976 1.00 0.00 H +ATOM 4963 CB VAL 325 47.500 37.540 21.740 1.00 0.00 C +ATOM 4964 HB VAL 325 47.300 38.356 21.012 1.00 0.00 H +ATOM 4965 CG1 VAL 325 47.210 38.220 23.130 1.00 0.00 C +ATOM 4966 1HG1 VAL 325 46.218 38.720 23.130 1.00 0.00 H +ATOM 4967 2HG1 VAL 325 47.480 37.672 24.058 1.00 0.00 H +ATOM 4968 3HG1 VAL 325 47.872 39.112 23.180 1.00 0.00 H +ATOM 4969 CG2 VAL 325 48.940 37.130 21.610 1.00 0.00 C +ATOM 4970 1HG2 VAL 325 49.238 36.942 20.556 1.00 0.00 H +ATOM 4971 2HG2 VAL 325 49.532 38.002 21.960 1.00 0.00 H +ATOM 4972 3HG2 VAL 325 49.020 36.288 22.330 1.00 0.00 H +ATOM 4973 C VAL 325 45.190 36.520 21.990 1.00 0.00 C +ATOM 4974 O VAL 325 44.810 35.970 23.030 1.00 0.00 O +ATOM 4975 N SER 326 44.360 37.240 21.240 1.00 0.00 N +ATOM 4976 HN SER 326 44.720 37.750 20.462 1.00 0.00 H +ATOM 4977 CA SER 326 42.920 37.310 21.490 1.00 0.00 C +ATOM 4978 HA SER 326 42.820 37.818 22.438 1.00 0.00 H +ATOM 4979 CB SER 326 42.110 38.110 20.460 1.00 0.00 C +ATOM 4980 HB1 SER 326 42.180 37.622 19.464 1.00 0.00 H +ATOM 4981 HB2 SER 326 41.036 38.120 20.742 1.00 0.00 H +ATOM 4982 OG SER 326 42.560 39.460 20.320 1.00 0.00 O +ATOM 4983 HG1 SER 326 43.520 39.430 20.310 1.00 0.00 H +ATOM 4984 C SER 326 42.210 35.990 21.660 1.00 0.00 C +ATOM 4985 O SER 326 41.370 35.890 22.570 1.00 0.00 O +ATOM 4986 N VAL 327 42.510 34.980 20.800 1.00 0.00 N +ATOM 4987 HN VAL 327 43.232 35.070 20.118 1.00 0.00 H +ATOM 4988 CA VAL 327 42.040 33.580 20.930 1.00 0.00 C +ATOM 4989 HA VAL 327 40.960 33.600 20.930 1.00 0.00 H +ATOM 4990 CB VAL 327 42.450 32.720 19.770 1.00 0.00 C +ATOM 4991 HB VAL 327 43.560 32.660 19.740 1.00 0.00 H +ATOM 4992 CG1 VAL 327 41.900 31.280 20.010 1.00 0.00 C +ATOM 4993 1HG1 VAL 327 42.470 30.830 20.850 1.00 0.00 H +ATOM 4994 2HG1 VAL 327 40.810 31.240 20.220 1.00 0.00 H +ATOM 4995 3HG1 VAL 327 42.060 30.628 19.126 1.00 0.00 H +ATOM 4996 CG2 VAL 327 41.980 33.320 18.500 1.00 0.00 C +ATOM 4997 1HG2 VAL 327 40.922 33.650 18.580 1.00 0.00 H +ATOM 4998 2HG2 VAL 327 42.606 34.194 18.222 1.00 0.00 H +ATOM 4999 3HG2 VAL 327 42.030 32.682 17.592 1.00 0.00 H +ATOM 5000 C VAL 327 42.380 33.010 22.310 1.00 0.00 C +ATOM 5001 O VAL 327 41.520 32.500 23.070 1.00 0.00 O +ATOM 5002 N LEU 328 43.660 33.070 22.720 1.00 0.00 N +ATOM 5003 HN LEU 328 44.338 33.478 22.112 1.00 0.00 H +ATOM 5004 CA LEU 328 44.210 32.600 24.000 1.00 0.00 C +ATOM 5005 HA LEU 328 43.942 31.554 24.050 1.00 0.00 H +ATOM 5006 CB LEU 328 45.730 32.660 24.030 1.00 0.00 C +ATOM 5007 HB1 LEU 328 46.018 33.726 23.900 1.00 0.00 H +ATOM 5008 HB2 LEU 328 46.266 32.272 24.924 1.00 0.00 H +ATOM 5009 CG LEU 328 46.530 31.990 22.870 1.00 0.00 C +ATOM 5010 HG LEU 328 46.380 32.572 21.936 1.00 0.00 H +ATOM 5011 CD1 LEU 328 48.030 32.120 23.110 1.00 0.00 C +ATOM 5012 1HD1 LEU 328 48.260 31.662 24.096 1.00 0.00 H +ATOM 5013 2HD1 LEU 328 48.640 31.630 22.320 1.00 0.00 H +ATOM 5014 3HD1 LEU 328 48.332 33.174 23.290 1.00 0.00 H +ATOM 5015 CD2 LEU 328 46.050 30.550 22.580 1.00 0.00 C +ATOM 5016 1HD2 LEU 328 44.960 30.620 22.380 1.00 0.00 H +ATOM 5017 2HD2 LEU 328 46.600 30.090 21.730 1.00 0.00 H +ATOM 5018 3HD2 LEU 328 46.250 29.968 23.504 1.00 0.00 H +ATOM 5019 C LEU 328 43.580 33.370 25.190 1.00 0.00 C +ATOM 5020 O LEU 328 43.090 32.770 26.160 1.00 0.00 O +ATOM 5021 N ASN 329 43.330 34.680 25.060 1.00 0.00 N +ATOM 5022 HN ASN 329 43.832 35.132 24.328 1.00 0.00 H +ATOM 5023 CA ASN 329 42.460 35.440 25.980 1.00 0.00 C +ATOM 5024 HA ASN 329 42.730 35.280 27.012 1.00 0.00 H +ATOM 5025 CB ASN 329 42.620 36.980 25.670 1.00 0.00 C +ATOM 5026 HB1 ASN 329 43.700 37.240 25.720 1.00 0.00 H +ATOM 5027 HB2 ASN 329 42.460 37.190 24.590 1.00 0.00 H +ATOM 5028 CG ASN 329 42.000 38.050 26.540 1.00 0.00 C +ATOM 5029 OD1 ASN 329 42.700 39.100 26.710 1.00 0.00 O +ATOM 5030 ND2 ASN 329 40.920 37.780 27.300 1.00 0.00 N +ATOM 5031 1HD2 ASN 329 40.420 36.920 27.200 1.00 0.00 H +ATOM 5032 2HD2 ASN 329 40.490 38.632 27.600 1.00 0.00 H +ATOM 5033 C ASN 329 40.940 35.020 25.950 1.00 0.00 C +ATOM 5034 O ASN 329 40.320 34.820 27.010 1.00 0.00 O +ATOM 5035 N ARG 330 40.270 34.690 24.830 1.00 0.00 N +ATOM 5036 HN ARG 330 40.712 34.680 23.936 1.00 0.00 H +ATOM 5037 CA ARG 330 38.870 34.250 24.800 1.00 0.00 C +ATOM 5038 HA ARG 330 38.372 34.918 25.488 1.00 0.00 H +ATOM 5039 CB ARG 330 38.200 34.290 23.450 1.00 0.00 C +ATOM 5040 HB1 ARG 330 37.910 35.346 23.260 1.00 0.00 H +ATOM 5041 HB2 ARG 330 38.792 33.858 22.616 1.00 0.00 H +ATOM 5042 CG ARG 330 36.930 33.420 23.380 1.00 0.00 C +ATOM 5043 HG1 ARG 330 37.238 32.354 23.440 1.00 0.00 H +ATOM 5044 HG2 ARG 330 36.142 33.610 24.138 1.00 0.00 H +ATOM 5045 CD ARG 330 36.050 33.550 22.100 1.00 0.00 C +ATOM 5046 HD1 ARG 330 35.176 32.864 22.060 1.00 0.00 H +ATOM 5047 HD2 ARG 330 35.700 34.602 22.060 1.00 0.00 H +ATOM 5048 NE ARG 330 36.910 33.210 20.940 1.00 0.00 N +ATOM 5049 HE ARG 330 37.390 33.878 20.372 1.00 0.00 H +ATOM 5050 CZ ARG 330 37.170 31.970 20.490 1.00 0.00 C +ATOM 5051 NH1 ARG 330 36.690 30.840 20.930 1.00 0.00 N +ATOM 5052 1HH1 ARG 330 36.108 30.800 21.742 1.00 0.00 H +ATOM 5053 2HH1 ARG 330 36.810 30.008 20.388 1.00 0.00 H +ATOM 5054 NH2 ARG 330 38.110 31.820 19.560 1.00 0.00 N +ATOM 5055 1HH2 ARG 330 38.350 32.710 19.170 1.00 0.00 H +ATOM 5056 2HH2 ARG 330 38.250 30.990 19.020 1.00 0.00 H +ATOM 5057 C ARG 330 38.660 32.890 25.480 1.00 0.00 C +ATOM 5058 O ARG 330 37.700 32.690 26.210 1.00 0.00 O +ATOM 5059 N ILE 331 39.540 31.960 25.140 1.00 0.00 N +ATOM 5060 HN ILE 331 40.322 32.110 24.540 1.00 0.00 H +ATOM 5061 CA ILE 331 39.410 30.550 25.540 1.00 0.00 C +ATOM 5062 HA ILE 331 38.374 30.262 25.430 1.00 0.00 H +ATOM 5063 CB ILE 331 40.240 29.620 24.700 1.00 0.00 C +ATOM 5064 HB ILE 331 41.262 30.042 24.600 1.00 0.00 H +ATOM 5065 CG2 ILE 331 40.430 28.240 25.410 1.00 0.00 C +ATOM 5066 1HG2 ILE 331 39.466 27.962 25.888 1.00 0.00 H +ATOM 5067 2HG2 ILE 331 40.820 27.510 24.670 1.00 0.00 H +ATOM 5068 3HG2 ILE 331 41.210 28.290 26.200 1.00 0.00 H +ATOM 5069 CG1 ILE 331 39.710 29.550 23.270 1.00 0.00 C +ATOM 5070 1HG1 ILE 331 38.730 29.030 23.340 1.00 0.00 H +ATOM 5071 2HG1 ILE 331 39.530 30.596 22.942 1.00 0.00 H +ATOM 5072 CD ILE 331 40.630 28.810 22.240 1.00 0.00 C +ATOM 5073 HD1 ILE 331 41.040 27.862 22.650 1.00 0.00 H +ATOM 5074 HD2 ILE 331 40.006 28.650 21.336 1.00 0.00 H +ATOM 5075 HD3 ILE 331 41.398 29.598 22.090 1.00 0.00 H +ATOM 5076 C ILE 331 39.630 30.470 27.100 1.00 0.00 C +ATOM 5077 O ILE 331 38.970 29.650 27.800 1.00 0.00 O +ATOM 5078 N ALA 332 40.580 31.300 27.680 1.00 0.00 N +ATOM 5079 HN ALA 332 41.140 31.950 27.170 1.00 0.00 H +ATOM 5080 CA ALA 332 40.590 31.390 29.130 1.00 0.00 C +ATOM 5081 HA ALA 332 40.580 30.394 29.548 1.00 0.00 H +ATOM 5082 CB ALA 332 41.780 32.140 29.680 1.00 0.00 C +ATOM 5083 HB1 ALA 332 41.790 32.080 30.790 1.00 0.00 H +ATOM 5084 HB2 ALA 332 42.726 31.742 29.252 1.00 0.00 H +ATOM 5085 HB3 ALA 332 41.740 33.214 29.400 1.00 0.00 H +ATOM 5086 C ALA 332 39.340 31.990 29.750 1.00 0.00 C +ATOM 5087 O ALA 332 38.870 31.490 30.740 1.00 0.00 O +ATOM 5088 N ASP 333 38.740 33.040 29.190 1.00 0.00 N +ATOM 5089 HN ASP 333 39.132 33.544 28.424 1.00 0.00 H +ATOM 5090 CA ASP 333 37.410 33.480 29.710 1.00 0.00 C +ATOM 5091 HA ASP 333 37.490 33.580 30.782 1.00 0.00 H +ATOM 5092 CB ASP 333 37.120 34.800 29.020 1.00 0.00 C +ATOM 5093 HB1 ASP 333 37.270 34.800 27.920 1.00 0.00 H +ATOM 5094 HB2 ASP 333 36.084 35.012 29.362 1.00 0.00 H +ATOM 5095 CG ASP 333 37.900 35.910 29.580 1.00 0.00 C +ATOM 5096 OD1 ASP 333 38.300 35.850 30.770 1.00 0.00 O +ATOM 5097 OD2 ASP 333 38.110 36.940 28.820 1.00 0.00 O +ATOM 5098 C ASP 333 36.290 32.490 29.500 1.00 0.00 C +ATOM 5099 O ASP 333 35.530 32.260 30.450 1.00 0.00 O +ATOM 5100 N GLU 334 36.050 31.890 28.270 1.00 0.00 N +ATOM 5101 HN GLU 334 36.522 32.282 27.486 1.00 0.00 H +ATOM 5102 CA GLU 334 35.140 30.790 27.980 1.00 0.00 C +ATOM 5103 HA GLU 334 34.140 31.190 28.050 1.00 0.00 H +ATOM 5104 CB GLU 334 35.370 30.260 26.540 1.00 0.00 C +ATOM 5105 HB1 GLU 334 36.442 30.150 26.270 1.00 0.00 H +ATOM 5106 HB2 GLU 334 34.960 29.230 26.470 1.00 0.00 H +ATOM 5107 CG GLU 334 34.570 31.150 25.500 1.00 0.00 C +ATOM 5108 HG1 GLU 334 33.502 30.950 25.730 1.00 0.00 H +ATOM 5109 HG2 GLU 334 35.010 32.170 25.500 1.00 0.00 H +ATOM 5110 CD GLU 334 34.790 30.740 24.020 1.00 0.00 C +ATOM 5111 OE1 GLU 334 33.850 31.090 23.240 1.00 0.00 O +ATOM 5112 OE2 GLU 334 35.850 30.220 23.660 1.00 0.00 O +ATOM 5113 C GLU 334 35.290 29.590 28.960 1.00 0.00 C +ATOM 5114 O GLU 334 34.320 29.060 29.470 1.00 0.00 O +ATOM 5115 N MET 335 36.510 29.070 29.260 1.00 0.00 N +ATOM 5116 HN MET 335 37.198 29.488 28.672 1.00 0.00 H +ATOM 5117 CA MET 335 36.760 27.920 30.100 1.00 0.00 C +ATOM 5118 HA MET 335 35.920 27.250 29.990 1.00 0.00 H +ATOM 5119 CB MET 335 38.110 27.280 29.630 1.00 0.00 C +ATOM 5120 HB1 MET 335 38.848 28.098 29.770 1.00 0.00 H +ATOM 5121 HB2 MET 335 38.450 26.448 30.282 1.00 0.00 H +ATOM 5122 CG MET 335 38.110 26.880 28.160 1.00 0.00 C +ATOM 5123 HG1 MET 335 37.990 27.732 27.458 1.00 0.00 H +ATOM 5124 HG2 MET 335 39.128 26.530 27.880 1.00 0.00 H +ATOM 5125 SD MET 335 36.860 25.670 27.900 1.00 0.00 S +ATOM 5126 CE MET 335 36.600 26.080 26.200 1.00 0.00 C +ATOM 5127 HE1 MET 335 35.890 25.380 25.710 1.00 0.00 H +ATOM 5128 HE2 MET 335 36.180 27.102 26.080 1.00 0.00 H +ATOM 5129 HE3 MET 335 37.602 26.000 25.728 1.00 0.00 H +ATOM 5130 C MET 335 36.820 28.290 31.550 1.00 0.00 C +ATOM 5131 O MET 335 36.860 27.320 32.310 1.00 0.00 O +ATOM 5132 N GLY 336 36.710 29.580 32.010 1.00 0.00 N +ATOM 5133 HN GLY 336 36.620 30.404 31.454 1.00 0.00 H +ATOM 5134 CA GLY 336 36.950 29.840 33.450 1.00 0.00 C +ATOM 5135 HA1 GLY 336 36.900 30.914 33.550 1.00 0.00 H +ATOM 5136 HA2 GLY 336 36.114 29.332 33.908 1.00 0.00 H +ATOM 5137 C GLY 336 38.300 29.500 34.130 1.00 0.00 C +ATOM 5138 O GLY 336 38.270 28.900 35.250 1.00 0.00 O +ATOM 5139 N MET 337 39.430 29.790 33.470 1.00 0.00 N +ATOM 5140 HN MET 337 39.440 30.150 32.540 1.00 0.00 H +ATOM 5141 CA MET 337 40.700 29.720 34.070 1.00 0.00 C +ATOM 5142 HA MET 337 40.670 29.372 35.092 1.00 0.00 H +ATOM 5143 CB MET 337 41.640 28.630 33.430 1.00 0.00 C +ATOM 5144 HB1 MET 337 42.702 28.660 33.750 1.00 0.00 H +ATOM 5145 HB2 MET 337 41.310 27.610 33.720 1.00 0.00 H +ATOM 5146 CG MET 337 41.600 28.520 31.840 1.00 0.00 C +ATOM 5147 HG1 MET 337 40.538 28.480 31.520 1.00 0.00 H +ATOM 5148 HG2 MET 337 42.118 29.446 31.512 1.00 0.00 H +ATOM 5149 SD MET 337 42.450 27.030 31.160 1.00 0.00 S +ATOM 5150 CE MET 337 42.260 27.600 29.510 1.00 0.00 C +ATOM 5151 HE1 MET 337 41.800 28.610 29.470 1.00 0.00 H +ATOM 5152 HE2 MET 337 43.280 27.580 29.070 1.00 0.00 H +ATOM 5153 HE3 MET 337 41.628 26.888 28.938 1.00 0.00 H +ATOM 5154 C MET 337 41.270 31.130 34.190 1.00 0.00 C +ATOM 5155 O MET 337 40.980 32.090 33.450 1.00 0.00 O +ATOM 5156 N ASP 338 42.170 31.350 35.130 1.00 0.00 N +ATOM 5157 HN ASP 338 42.340 30.640 35.810 1.00 0.00 H +ATOM 5158 CA ASP 338 43.010 32.490 35.310 1.00 0.00 C +ATOM 5159 HA ASP 338 42.360 33.350 35.370 1.00 0.00 H +ATOM 5160 CB ASP 338 43.880 32.510 36.660 1.00 0.00 C +ATOM 5161 HB1 ASP 338 43.176 32.350 37.504 1.00 0.00 H +ATOM 5162 HB2 ASP 338 44.666 31.734 36.540 1.00 0.00 H +ATOM 5163 CG ASP 338 44.680 33.850 36.860 1.00 0.00 C +ATOM 5164 OD1 ASP 338 44.010 34.880 36.650 1.00 0.00 O +ATOM 5165 OD2 ASP 338 45.830 33.830 37.410 1.00 0.00 O +ATOM 5166 C ASP 338 43.870 32.800 34.030 1.00 0.00 C +ATOM 5167 O ASP 338 44.610 31.970 33.550 1.00 0.00 O +ATOM 5168 N THR 339 43.800 34.070 33.550 1.00 0.00 N +ATOM 5169 HN THR 339 43.358 34.834 34.012 1.00 0.00 H +ATOM 5170 CA THR 339 44.440 34.380 32.290 1.00 0.00 C +ATOM 5171 HA THR 339 44.290 33.676 31.486 1.00 0.00 H +ATOM 5172 CB THR 339 44.070 35.720 31.740 1.00 0.00 C +ATOM 5173 HB THR 339 44.758 36.078 30.944 1.00 0.00 H +ATOM 5174 OG1 THR 339 43.990 36.680 32.750 1.00 0.00 O +ATOM 5175 HG1 THR 339 43.762 37.504 32.314 1.00 0.00 H +ATOM 5176 CG2 THR 339 42.680 35.540 31.060 1.00 0.00 C +ATOM 5177 1HG2 THR 339 42.620 34.958 30.116 1.00 0.00 H +ATOM 5178 2HG2 THR 339 42.098 35.038 31.862 1.00 0.00 H +ATOM 5179 3HG2 THR 339 42.282 36.534 30.762 1.00 0.00 H +ATOM 5180 C THR 339 45.940 34.380 32.490 1.00 0.00 C +ATOM 5181 O THR 339 46.760 34.070 31.620 1.00 0.00 O +ATOM 5182 N ILE 340 46.430 34.780 33.740 1.00 0.00 N +ATOM 5183 HN ILE 340 45.678 34.950 34.372 1.00 0.00 H +ATOM 5184 CA ILE 340 47.740 35.090 34.080 1.00 0.00 C +ATOM 5185 HA ILE 340 48.280 35.480 33.230 1.00 0.00 H +ATOM 5186 CB ILE 340 47.830 36.110 35.280 1.00 0.00 C +ATOM 5187 HB ILE 340 47.294 35.644 36.134 1.00 0.00 H +ATOM 5188 CG2 ILE 340 49.340 36.350 35.730 1.00 0.00 C +ATOM 5189 1HG2 ILE 340 49.390 36.710 36.780 1.00 0.00 H +ATOM 5190 2HG2 ILE 340 49.930 35.410 35.760 1.00 0.00 H +ATOM 5191 3HG2 ILE 340 49.872 37.102 35.108 1.00 0.00 H +ATOM 5192 CG1 ILE 340 47.050 37.410 34.930 1.00 0.00 C +ATOM 5193 1HG1 ILE 340 47.322 37.772 33.916 1.00 0.00 H +ATOM 5194 2HG1 ILE 340 45.980 37.130 34.820 1.00 0.00 H +ATOM 5195 CD ILE 340 47.180 38.540 35.930 1.00 0.00 C +ATOM 5196 HD1 ILE 340 46.202 39.048 36.070 1.00 0.00 H +ATOM 5197 HD2 ILE 340 47.482 38.278 36.966 1.00 0.00 H +ATOM 5198 HD3 ILE 340 47.978 39.188 35.510 1.00 0.00 H +ATOM 5199 C ILE 340 48.470 33.790 34.540 1.00 0.00 C +ATOM 5200 O ILE 340 49.500 33.390 34.020 1.00 0.00 O +ATOM 5201 N SER 341 47.980 33.060 35.550 1.00 0.00 N +ATOM 5202 HN SER 341 47.188 33.330 36.092 1.00 0.00 H +ATOM 5203 CA SER 341 48.500 31.750 35.930 1.00 0.00 C +ATOM 5204 HA SER 341 49.528 31.940 36.200 1.00 0.00 H +ATOM 5205 CB SER 341 47.780 31.030 37.050 1.00 0.00 C +ATOM 5206 HB1 SER 341 46.698 30.820 36.910 1.00 0.00 H +ATOM 5207 HB2 SER 341 48.310 30.058 37.140 1.00 0.00 H +ATOM 5208 OG SER 341 48.000 31.730 38.250 1.00 0.00 O +ATOM 5209 HG1 SER 341 48.676 31.214 38.696 1.00 0.00 H +ATOM 5210 C SER 341 48.520 30.760 34.740 1.00 0.00 C +ATOM 5211 O SER 341 49.470 30.080 34.540 1.00 0.00 O +ATOM 5212 N LEU 342 47.510 30.750 33.820 1.00 0.00 N +ATOM 5213 HN LEU 342 46.658 31.260 33.910 1.00 0.00 H +ATOM 5214 CA LEU 342 47.670 30.090 32.550 1.00 0.00 C +ATOM 5215 HA LEU 342 47.920 29.070 32.800 1.00 0.00 H +ATOM 5216 CB LEU 342 46.300 30.170 31.750 1.00 0.00 C +ATOM 5217 HB1 LEU 342 45.622 29.692 32.488 1.00 0.00 H +ATOM 5218 HB2 LEU 342 46.110 31.260 31.650 1.00 0.00 H +ATOM 5219 CG LEU 342 46.270 29.560 30.310 1.00 0.00 C +ATOM 5220 HG LEU 342 47.168 29.700 29.672 1.00 0.00 H +ATOM 5221 CD1 LEU 342 46.210 28.050 30.430 1.00 0.00 C +ATOM 5222 1HD1 LEU 342 45.812 27.652 29.472 1.00 0.00 H +ATOM 5223 2HD1 LEU 342 47.230 27.650 30.610 1.00 0.00 H +ATOM 5224 3HD1 LEU 342 45.508 27.760 31.242 1.00 0.00 H +ATOM 5225 CD2 LEU 342 45.040 30.070 29.620 1.00 0.00 C +ATOM 5226 1HD2 LEU 342 44.758 29.598 28.656 1.00 0.00 H +ATOM 5227 2HD2 LEU 342 44.148 30.020 30.282 1.00 0.00 H +ATOM 5228 3HD2 LEU 342 45.200 31.150 29.410 1.00 0.00 H +ATOM 5229 C LEU 342 48.760 30.550 31.560 1.00 0.00 C +ATOM 5230 O LEU 342 49.400 29.700 30.940 1.00 0.00 O +ATOM 5231 N GLY 343 49.050 31.880 31.460 1.00 0.00 N +ATOM 5232 HN GLY 343 48.498 32.612 31.852 1.00 0.00 H +ATOM 5233 CA GLY 343 50.220 32.320 30.730 1.00 0.00 C +ATOM 5234 HA1 GLY 343 50.030 31.790 29.808 1.00 0.00 H +ATOM 5235 HA2 GLY 343 50.150 33.394 30.640 1.00 0.00 H +ATOM 5236 C GLY 343 51.630 31.960 31.270 1.00 0.00 C +ATOM 5237 O GLY 343 52.480 31.630 30.480 1.00 0.00 O +ATOM 5238 N VAL 344 51.800 31.890 32.580 1.00 0.00 N +ATOM 5239 HN VAL 344 51.000 32.210 33.080 1.00 0.00 H +ATOM 5240 CA VAL 344 53.030 31.560 33.170 1.00 0.00 C +ATOM 5241 HA VAL 344 53.800 31.910 32.500 1.00 0.00 H +ATOM 5242 CB VAL 344 53.120 32.120 34.500 1.00 0.00 C +ATOM 5243 HB VAL 344 52.296 31.778 35.162 1.00 0.00 H +ATOM 5244 CG1 VAL 344 54.450 31.930 35.160 1.00 0.00 C +ATOM 5245 1HG1 VAL 344 54.790 30.872 35.120 1.00 0.00 H +ATOM 5246 2HG1 VAL 344 55.210 32.590 34.690 1.00 0.00 H +ATOM 5247 3HG1 VAL 344 54.330 32.188 36.234 1.00 0.00 H +ATOM 5248 CG2 VAL 344 52.910 33.630 34.400 1.00 0.00 C +ATOM 5249 1HG2 VAL 344 53.240 34.060 35.370 1.00 0.00 H +ATOM 5250 2HG2 VAL 344 53.638 34.048 33.672 1.00 0.00 H +ATOM 5251 3HG2 VAL 344 51.852 33.902 34.198 1.00 0.00 H +ATOM 5252 C VAL 344 53.170 30.060 33.120 1.00 0.00 C +ATOM 5253 O VAL 344 54.230 29.470 33.050 1.00 0.00 O +ATOM 5254 N SER 345 52.010 29.390 33.100 1.00 0.00 N +ATOM 5255 HN SER 345 51.176 29.932 33.040 1.00 0.00 H +ATOM 5256 CA SER 345 51.940 27.960 32.990 1.00 0.00 C +ATOM 5257 HA SER 345 52.618 27.522 33.708 1.00 0.00 H +ATOM 5258 CB SER 345 50.600 27.320 33.490 1.00 0.00 C +ATOM 5259 HB1 SER 345 49.706 27.746 32.984 1.00 0.00 H +ATOM 5260 HB2 SER 345 50.490 26.254 33.198 1.00 0.00 H +ATOM 5261 OG SER 345 50.450 27.390 34.920 1.00 0.00 O +ATOM 5262 HG1 SER 345 50.340 28.306 35.182 1.00 0.00 H +ATOM 5263 C SER 345 52.290 27.420 31.690 1.00 0.00 C +ATOM 5264 O SER 345 53.120 26.600 31.580 1.00 0.00 O +ATOM 5265 N ILE 346 51.670 27.890 30.560 1.00 0.00 N +ATOM 5266 HN ILE 346 50.970 28.600 30.590 1.00 0.00 H +ATOM 5267 CA ILE 346 52.080 27.590 29.200 1.00 0.00 C +ATOM 5268 HA ILE 346 52.020 26.534 28.980 1.00 0.00 H +ATOM 5269 CB ILE 346 51.210 28.230 28.150 1.00 0.00 C +ATOM 5270 HB ILE 346 51.090 29.332 28.230 1.00 0.00 H +ATOM 5271 CG2 ILE 346 51.790 27.760 26.770 1.00 0.00 C +ATOM 5272 1HG2 ILE 346 51.102 27.920 25.912 1.00 0.00 H +ATOM 5273 2HG2 ILE 346 52.662 28.432 26.630 1.00 0.00 H +ATOM 5274 3HG2 ILE 346 52.080 26.692 26.680 1.00 0.00 H +ATOM 5275 CG1 ILE 346 49.770 27.480 28.170 1.00 0.00 C +ATOM 5276 1HG1 ILE 346 49.970 26.420 27.900 1.00 0.00 H +ATOM 5277 2HG1 ILE 346 49.368 27.560 29.202 1.00 0.00 H +ATOM 5278 CD ILE 346 48.720 28.030 27.160 1.00 0.00 C +ATOM 5279 HD1 ILE 346 48.542 29.094 27.428 1.00 0.00 H +ATOM 5280 HD2 ILE 346 48.950 28.100 26.076 1.00 0.00 H +ATOM 5281 HD3 ILE 346 47.748 27.494 27.220 1.00 0.00 H +ATOM 5282 C ILE 346 53.600 27.950 29.010 1.00 0.00 C +ATOM 5283 O ILE 346 54.420 27.260 28.460 1.00 0.00 O +ATOM 5284 N ALA 347 53.990 29.110 29.500 1.00 0.00 N +ATOM 5285 HN ALA 347 53.310 29.720 29.900 1.00 0.00 H +ATOM 5286 CA ALA 347 55.430 29.600 29.520 1.00 0.00 C +ATOM 5287 HA ALA 347 55.710 29.510 28.480 1.00 0.00 H +ATOM 5288 CB ALA 347 55.540 31.020 30.020 1.00 0.00 C +ATOM 5289 HB1 ALA 347 55.000 31.650 29.280 1.00 0.00 H +ATOM 5290 HB2 ALA 347 55.104 31.060 31.042 1.00 0.00 H +ATOM 5291 HB3 ALA 347 56.632 31.210 29.970 1.00 0.00 H +ATOM 5292 C ALA 347 56.440 28.790 30.220 1.00 0.00 C +ATOM 5293 O ALA 347 57.540 28.530 29.660 1.00 0.00 O +ATOM 5294 N HIS 348 56.170 28.340 31.440 1.00 0.00 N +ATOM 5295 HN HIS 348 55.270 28.520 31.830 1.00 0.00 H +ATOM 5296 CA HIS 348 56.870 27.320 32.120 1.00 0.00 C +ATOM 5297 HA HIS 348 57.880 27.690 32.210 1.00 0.00 H +ATOM 5298 CB HIS 348 56.220 27.090 33.500 1.00 0.00 C +ATOM 5299 HB1 HIS 348 55.930 28.072 33.930 1.00 0.00 H +ATOM 5300 HB2 HIS 348 55.374 26.374 33.420 1.00 0.00 H +ATOM 5301 ND1 HIS 348 58.420 27.140 34.710 1.00 0.00 N +ATOM 5302 CG HIS 348 57.170 26.500 34.490 1.00 0.00 C +ATOM 5303 CE1 HIS 348 58.980 26.390 35.620 1.00 0.00 C +ATOM 5304 HE1 HIS 348 60.006 26.420 35.988 1.00 0.00 H +ATOM 5305 NE2 HIS 348 58.200 25.390 36.050 1.00 0.00 N +ATOM 5306 HE2 HIS 348 58.528 24.586 36.546 1.00 0.00 H +ATOM 5307 CD2 HIS 348 57.000 25.440 35.380 1.00 0.00 C +ATOM 5308 HD2 HIS 348 56.214 24.704 35.280 1.00 0.00 H +ATOM 5309 C HIS 348 56.980 26.030 31.360 1.00 0.00 C +ATOM 5310 O HIS 348 58.010 25.410 31.420 1.00 0.00 O +ATOM 5311 N VAL 349 55.970 25.560 30.620 1.00 0.00 N +ATOM 5312 HN VAL 349 55.134 26.098 30.690 1.00 0.00 H +ATOM 5313 CA VAL 349 55.990 24.440 29.620 1.00 0.00 C +ATOM 5314 HA VAL 349 56.340 23.642 30.258 1.00 0.00 H +ATOM 5315 CB VAL 349 54.670 23.960 29.150 1.00 0.00 C +ATOM 5316 HB VAL 349 54.000 24.790 28.840 1.00 0.00 H +ATOM 5317 CG1 VAL 349 54.750 23.000 27.960 1.00 0.00 C +ATOM 5318 1HG1 VAL 349 53.748 22.588 27.720 1.00 0.00 H +ATOM 5319 2HG1 VAL 349 55.048 23.538 27.034 1.00 0.00 H +ATOM 5320 3HG1 VAL 349 55.464 22.186 28.208 1.00 0.00 H +ATOM 5321 CG2 VAL 349 54.000 23.410 30.390 1.00 0.00 C +ATOM 5322 1HG2 VAL 349 54.480 22.540 30.890 1.00 0.00 H +ATOM 5323 2HG2 VAL 349 53.930 24.174 31.194 1.00 0.00 H +ATOM 5324 3HG2 VAL 349 52.970 23.020 30.240 1.00 0.00 H +ATOM 5325 C VAL 349 56.890 24.610 28.420 1.00 0.00 C +ATOM 5326 O VAL 349 57.770 23.840 28.130 1.00 0.00 O +ATOM 5327 N MET 350 56.760 25.850 27.800 1.00 0.00 N +ATOM 5328 HN MET 350 55.980 26.420 28.050 1.00 0.00 H +ATOM 5329 CA MET 350 57.560 26.310 26.620 1.00 0.00 C +ATOM 5330 HA MET 350 57.440 25.562 25.852 1.00 0.00 H +ATOM 5331 CB MET 350 57.050 27.630 26.070 1.00 0.00 C +ATOM 5332 HB1 MET 350 56.892 28.336 26.914 1.00 0.00 H +ATOM 5333 HB2 MET 350 57.788 28.148 25.422 1.00 0.00 H +ATOM 5334 CG MET 350 55.730 27.450 25.310 1.00 0.00 C +ATOM 5335 HG1 MET 350 56.068 26.952 24.376 1.00 0.00 H +ATOM 5336 HG2 MET 350 55.012 26.742 25.778 1.00 0.00 H +ATOM 5337 SD MET 350 54.810 29.040 24.910 1.00 0.00 S +ATOM 5338 CE MET 350 53.780 28.420 23.660 1.00 0.00 C +ATOM 5339 HE1 MET 350 54.438 27.960 22.892 1.00 0.00 H +ATOM 5340 HE2 MET 350 53.088 27.628 24.020 1.00 0.00 H +ATOM 5341 HE3 MET 350 53.108 29.202 23.248 1.00 0.00 H +ATOM 5342 C MET 350 59.070 26.380 26.890 1.00 0.00 C +ATOM 5343 O MET 350 59.840 25.730 26.220 1.00 0.00 O +ATOM 5344 N GLU 351 59.540 27.030 27.990 1.00 0.00 N +ATOM 5345 HN GLU 351 58.972 27.578 28.598 1.00 0.00 H +ATOM 5346 CA GLU 351 60.920 26.940 28.440 1.00 0.00 C +ATOM 5347 HA GLU 351 61.590 27.310 27.680 1.00 0.00 H +ATOM 5348 CB GLU 351 61.170 27.940 29.650 1.00 0.00 C +ATOM 5349 HB1 GLU 351 60.980 28.912 29.148 1.00 0.00 H +ATOM 5350 HB2 GLU 351 60.356 27.990 30.404 1.00 0.00 H +ATOM 5351 CG GLU 351 62.580 27.830 30.260 1.00 0.00 C +ATOM 5352 HG1 GLU 351 62.680 27.088 31.082 1.00 0.00 H +ATOM 5353 HG2 GLU 351 63.298 27.540 29.462 1.00 0.00 H +ATOM 5354 CD GLU 351 63.060 29.160 30.790 1.00 0.00 C +ATOM 5355 OE1 GLU 351 64.220 29.200 31.190 1.00 0.00 O +ATOM 5356 OE2 GLU 351 62.300 30.170 30.810 1.00 0.00 O +ATOM 5357 C GLU 351 61.440 25.510 28.720 1.00 0.00 C +ATOM 5358 O GLU 351 62.560 25.150 28.300 1.00 0.00 O +ATOM 5359 N ALA 352 60.620 24.710 29.420 1.00 0.00 N +ATOM 5360 HN ALA 352 59.748 24.950 29.840 1.00 0.00 H +ATOM 5361 CA ALA 352 60.970 23.380 29.830 1.00 0.00 C +ATOM 5362 HA ALA 352 61.960 23.430 30.260 1.00 0.00 H +ATOM 5363 CB ALA 352 60.030 22.770 30.950 1.00 0.00 C +ATOM 5364 HB1 ALA 352 59.720 23.472 31.752 1.00 0.00 H +ATOM 5365 HB2 ALA 352 59.040 22.660 30.460 1.00 0.00 H +ATOM 5366 HB3 ALA 352 60.430 21.802 31.320 1.00 0.00 H +ATOM 5367 C ALA 352 61.060 22.390 28.670 1.00 0.00 C +ATOM 5368 O ALA 352 61.910 21.500 28.670 1.00 0.00 O +ATOM 5369 N VAL 353 60.130 22.530 27.670 1.00 0.00 N +ATOM 5370 HN VAL 353 59.386 23.184 27.780 1.00 0.00 H +ATOM 5371 CA VAL 353 60.370 21.920 26.280 1.00 0.00 C +ATOM 5372 HA VAL 353 60.430 20.848 26.390 1.00 0.00 H +ATOM 5373 CB VAL 353 59.190 22.130 25.390 1.00 0.00 C +ATOM 5374 HB VAL 353 58.900 23.200 25.330 1.00 0.00 H +ATOM 5375 CG1 VAL 353 59.480 21.610 23.950 1.00 0.00 C +ATOM 5376 1HG1 VAL 353 60.256 22.234 23.456 1.00 0.00 H +ATOM 5377 2HG1 VAL 353 59.730 20.528 24.000 1.00 0.00 H +ATOM 5378 3HG1 VAL 353 58.478 21.690 23.478 1.00 0.00 H +ATOM 5379 CG2 VAL 353 58.130 21.200 25.960 1.00 0.00 C +ATOM 5380 1HG2 VAL 353 58.442 20.134 25.980 1.00 0.00 H +ATOM 5381 2HG2 VAL 353 57.882 21.518 26.996 1.00 0.00 H +ATOM 5382 3HG2 VAL 353 57.208 21.410 25.378 1.00 0.00 H +ATOM 5383 C VAL 353 61.690 22.400 25.640 1.00 0.00 C +ATOM 5384 O VAL 353 62.520 21.550 25.250 1.00 0.00 O +ATOM 5385 N GLU 354 61.940 23.740 25.570 1.00 0.00 N +ATOM 5386 HN GLU 354 61.240 24.360 25.920 1.00 0.00 H +ATOM 5387 CA GLU 354 63.100 24.300 24.850 1.00 0.00 C +ATOM 5388 HA GLU 354 63.100 23.870 23.860 1.00 0.00 H +ATOM 5389 CB GLU 354 62.980 25.830 24.630 1.00 0.00 C +ATOM 5390 HB1 GLU 354 62.480 26.180 25.558 1.00 0.00 H +ATOM 5391 HB2 GLU 354 63.992 26.270 24.500 1.00 0.00 H +ATOM 5392 CG GLU 354 61.970 26.190 23.550 1.00 0.00 C +ATOM 5393 HG1 GLU 354 62.000 25.462 22.712 1.00 0.00 H +ATOM 5394 HG2 GLU 354 60.966 26.120 24.022 1.00 0.00 H +ATOM 5395 CD GLU 354 62.120 27.560 23.020 1.00 0.00 C +ATOM 5396 OE1 GLU 354 61.120 28.260 22.690 1.00 0.00 O +ATOM 5397 OE2 GLU 354 63.300 28.070 22.970 1.00 0.00 O +ATOM 5398 C GLU 354 64.440 23.930 25.540 1.00 0.00 C +ATOM 5399 O GLU 354 65.480 23.670 24.910 1.00 0.00 O +ATOM 5400 N ARG 355 64.460 23.780 26.830 1.00 0.00 N +ATOM 5401 HN ARG 355 63.680 24.070 27.380 1.00 0.00 H +ATOM 5402 CA ARG 355 65.660 23.360 27.550 1.00 0.00 C +ATOM 5403 HA ARG 355 66.536 23.874 27.188 1.00 0.00 H +ATOM 5404 CB ARG 355 65.580 23.540 29.100 1.00 0.00 C +ATOM 5405 HB1 ARG 355 64.582 23.200 29.450 1.00 0.00 H +ATOM 5406 HB2 ARG 355 66.318 23.010 29.740 1.00 0.00 H +ATOM 5407 CG ARG 355 65.780 25.080 29.520 1.00 0.00 C +ATOM 5408 HG1 ARG 355 66.866 25.260 29.680 1.00 0.00 H +ATOM 5409 HG2 ARG 355 65.300 25.808 28.832 1.00 0.00 H +ATOM 5410 CD ARG 355 65.160 25.390 30.860 1.00 0.00 C +ATOM 5411 HD1 ARG 355 64.054 25.280 30.860 1.00 0.00 H +ATOM 5412 HD2 ARG 355 65.670 24.800 31.650 1.00 0.00 H +ATOM 5413 NE ARG 355 65.430 26.790 31.280 1.00 0.00 N +ATOM 5414 HE ARG 355 64.798 27.532 31.060 1.00 0.00 H +ATOM 5415 CZ ARG 355 66.400 27.170 32.100 1.00 0.00 C +ATOM 5416 NH1 ARG 355 67.260 26.350 32.710 1.00 0.00 N +ATOM 5417 1HH1 ARG 355 67.512 25.494 32.258 1.00 0.00 H +ATOM 5418 2HH1 ARG 355 67.884 26.742 33.384 1.00 0.00 H +ATOM 5419 NH2 ARG 355 66.490 28.450 32.430 1.00 0.00 N +ATOM 5420 1HH2 ARG 355 65.780 29.100 32.160 1.00 0.00 H +ATOM 5421 2HH2 ARG 355 66.972 28.720 33.264 1.00 0.00 H +ATOM 5422 C ARG 355 65.970 21.820 27.370 1.00 0.00 C +ATOM 5423 O ARG 355 67.060 21.350 27.680 1.00 0.00 O +ATOM 5424 N GLY 356 65.060 20.970 26.870 1.00 0.00 N +ATOM 5425 HN GLY 356 64.212 21.378 26.540 1.00 0.00 H +ATOM 5426 CA GLY 356 65.100 19.530 26.860 1.00 0.00 C +ATOM 5427 HA1 GLY 356 64.378 19.200 26.128 1.00 0.00 H +ATOM 5428 HA2 GLY 356 66.128 19.270 26.650 1.00 0.00 H +ATOM 5429 C GLY 356 64.780 18.870 28.120 1.00 0.00 C +ATOM 5430 O GLY 356 65.190 17.710 28.350 1.00 0.00 O +ATOM 5431 N ILE 357 63.920 19.460 28.990 1.00 0.00 N +ATOM 5432 HN ILE 357 63.590 20.358 28.710 1.00 0.00 H +ATOM 5433 CA ILE 357 63.470 18.790 30.180 1.00 0.00 C +ATOM 5434 HA ILE 357 64.228 18.082 30.480 1.00 0.00 H +ATOM 5435 CB ILE 357 63.370 19.890 31.240 1.00 0.00 C +ATOM 5436 HB ILE 357 62.808 20.724 30.768 1.00 0.00 H +ATOM 5437 CG2 ILE 357 62.640 19.350 32.470 1.00 0.00 C +ATOM 5438 1HG2 ILE 357 62.800 19.940 33.398 1.00 0.00 H +ATOM 5439 2HG2 ILE 357 61.552 19.200 32.300 1.00 0.00 H +ATOM 5440 3HG2 ILE 357 63.108 18.382 32.750 1.00 0.00 H +ATOM 5441 CG1 ILE 357 64.740 20.500 31.570 1.00 0.00 C +ATOM 5442 1HG1 ILE 357 65.222 19.888 32.362 1.00 0.00 H +ATOM 5443 2HG1 ILE 357 65.468 20.500 30.732 1.00 0.00 H +ATOM 5444 CD ILE 357 64.670 21.990 32.020 1.00 0.00 C +ATOM 5445 HD1 ILE 357 64.100 22.580 31.270 1.00 0.00 H +ATOM 5446 HD2 ILE 357 64.202 22.020 33.028 1.00 0.00 H +ATOM 5447 HD3 ILE 357 65.718 22.340 31.910 1.00 0.00 H +ATOM 5448 C ILE 357 62.250 17.990 29.920 1.00 0.00 C +ATOM 5449 O ILE 357 61.940 17.050 30.580 1.00 0.00 O +ATOM 5450 N LEU 358 61.450 18.420 28.830 1.00 0.00 N +ATOM 5451 HN LEU 358 61.630 19.274 28.348 1.00 0.00 H +ATOM 5452 CA LEU 358 60.330 17.730 28.300 1.00 0.00 C +ATOM 5453 HA LEU 358 60.210 16.794 28.828 1.00 0.00 H +ATOM 5454 CB LEU 358 59.060 18.630 28.360 1.00 0.00 C +ATOM 5455 HB1 LEU 358 59.280 19.612 27.890 1.00 0.00 H +ATOM 5456 HB2 LEU 358 58.170 18.190 27.860 1.00 0.00 H +ATOM 5457 CG LEU 358 58.580 19.020 29.750 1.00 0.00 C +ATOM 5458 HG LEU 358 59.476 19.368 30.308 1.00 0.00 H +ATOM 5459 CD1 LEU 358 57.480 20.090 29.520 1.00 0.00 C +ATOM 5460 1HD1 LEU 358 57.964 21.036 29.198 1.00 0.00 H +ATOM 5461 2HD1 LEU 358 56.672 19.760 28.832 1.00 0.00 H +ATOM 5462 3HD1 LEU 358 57.002 20.320 30.496 1.00 0.00 H +ATOM 5463 CD2 LEU 358 57.960 17.850 30.430 1.00 0.00 C +ATOM 5464 1HD2 LEU 358 57.580 18.210 31.410 1.00 0.00 H +ATOM 5465 2HD2 LEU 358 57.164 17.382 29.812 1.00 0.00 H +ATOM 5466 3HD2 LEU 358 58.780 17.110 30.550 1.00 0.00 H +ATOM 5467 C LEU 358 60.520 17.380 26.830 1.00 0.00 C +ATOM 5468 O LEU 358 60.950 18.220 26.120 1.00 0.00 O +ATOM 5469 N LYS 359 60.150 16.100 26.480 1.00 0.00 N +ATOM 5470 HN LYS 359 59.690 15.470 27.100 1.00 0.00 H +ATOM 5471 CA LYS 359 60.330 15.620 25.110 1.00 0.00 C +ATOM 5472 HA LYS 359 61.262 16.030 24.750 1.00 0.00 H +ATOM 5473 CB LYS 359 60.380 14.100 24.920 1.00 0.00 C +ATOM 5474 HB1 LYS 359 59.418 13.708 25.312 1.00 0.00 H +ATOM 5475 HB2 LYS 359 60.410 13.862 23.834 1.00 0.00 H +ATOM 5476 CG LYS 359 61.560 13.370 25.670 1.00 0.00 C +ATOM 5477 HG1 LYS 359 62.558 13.580 25.230 1.00 0.00 H +ATOM 5478 HG2 LYS 359 61.550 13.802 26.694 1.00 0.00 H +ATOM 5479 CD LYS 359 61.270 11.840 25.790 1.00 0.00 C +ATOM 5480 HD1 LYS 359 60.276 11.790 26.282 1.00 0.00 H +ATOM 5481 HD2 LYS 359 61.170 11.382 24.782 1.00 0.00 H +ATOM 5482 CE LYS 359 62.330 11.080 26.680 1.00 0.00 C +ATOM 5483 HE1 LYS 359 63.386 10.940 26.368 1.00 0.00 H +ATOM 5484 HE2 LYS 359 62.360 11.670 27.620 1.00 0.00 H +ATOM 5485 NZ LYS 359 61.800 9.800 27.040 1.00 0.00 N +ATOM 5486 HZ1 LYS 359 61.860 9.190 26.200 1.00 0.00 H +ATOM 5487 HZ2 LYS 359 62.492 9.338 27.662 1.00 0.00 H +ATOM 5488 HZ3 LYS 359 60.852 9.770 27.468 1.00 0.00 H +ATOM 5489 C LYS 359 59.230 16.130 24.110 1.00 0.00 C +ATOM 5490 O LYS 359 59.490 16.270 22.920 1.00 0.00 O +ATOM 5491 N GLU 360 57.960 16.360 24.540 1.00 0.00 N +ATOM 5492 HN GLU 360 57.700 16.310 25.502 1.00 0.00 H +ATOM 5493 CA GLU 360 56.930 16.850 23.720 1.00 0.00 C +ATOM 5494 HA GLU 360 57.310 17.368 22.852 1.00 0.00 H +ATOM 5495 CB GLU 360 55.920 15.750 23.490 1.00 0.00 C +ATOM 5496 HB1 GLU 360 55.830 15.230 24.468 1.00 0.00 H +ATOM 5497 HB2 GLU 360 55.038 16.212 22.998 1.00 0.00 H +ATOM 5498 CG GLU 360 56.440 14.610 22.540 1.00 0.00 C +ATOM 5499 HG1 GLU 360 56.838 15.058 21.604 1.00 0.00 H +ATOM 5500 HG2 GLU 360 57.322 14.208 23.082 1.00 0.00 H +ATOM 5501 CD GLU 360 55.510 13.520 22.160 1.00 0.00 C +ATOM 5502 OE1 GLU 360 55.750 12.340 22.640 1.00 0.00 O +ATOM 5503 OE2 GLU 360 54.450 13.720 21.520 1.00 0.00 O +ATOM 5504 C GLU 360 56.180 17.950 24.390 1.00 0.00 C +ATOM 5505 O GLU 360 55.860 17.860 25.570 1.00 0.00 O +ATOM 5506 N GLY 361 55.700 18.930 23.620 1.00 0.00 N +ATOM 5507 HN GLY 361 55.960 19.000 22.660 1.00 0.00 H +ATOM 5508 CA GLY 361 54.940 20.140 24.010 1.00 0.00 C +ATOM 5509 HA1 GLY 361 53.934 19.808 23.808 1.00 0.00 H +ATOM 5510 HA2 GLY 361 55.080 20.338 25.064 1.00 0.00 H +ATOM 5511 C GLY 361 55.300 21.370 23.180 1.00 0.00 C +ATOM 5512 O GLY 361 56.280 21.400 22.460 1.00 0.00 O +ATOM 5513 N PRO 362 54.560 22.460 23.280 1.00 0.00 N +ATOM 5514 CD PRO 362 53.530 22.660 24.300 1.00 0.00 C +ATOM 5515 HD1 PRO 362 53.920 22.400 25.308 1.00 0.00 H +ATOM 5516 HD2 PRO 362 52.570 22.160 24.050 1.00 0.00 H +ATOM 5517 CA PRO 362 54.840 23.580 22.490 1.00 0.00 C +ATOM 5518 HA PRO 362 54.930 23.310 21.448 1.00 0.00 H +ATOM 5519 CB PRO 362 53.550 24.400 22.770 1.00 0.00 C +ATOM 5520 HB1 PRO 362 53.530 25.488 22.540 1.00 0.00 H +ATOM 5521 HB2 PRO 362 52.798 23.838 22.178 1.00 0.00 H +ATOM 5522 CG PRO 362 53.240 24.170 24.250 1.00 0.00 C +ATOM 5523 HG1 PRO 362 53.880 24.760 24.940 1.00 0.00 H +ATOM 5524 HG2 PRO 362 52.162 24.280 24.500 1.00 0.00 H +ATOM 5525 C PRO 362 56.080 24.420 22.900 1.00 0.00 C +ATOM 5526 O PRO 362 56.660 24.150 23.920 1.00 0.00 O +ATOM 5527 N THR 363 56.580 25.390 22.060 1.00 0.00 N +ATOM 5528 HN THR 363 56.098 25.380 21.188 1.00 0.00 H +ATOM 5529 CA THR 363 57.760 26.240 22.280 1.00 0.00 C +ATOM 5530 HA THR 363 58.032 26.280 23.324 1.00 0.00 H +ATOM 5531 CB THR 363 59.040 25.880 21.480 1.00 0.00 C +ATOM 5532 HB THR 363 59.900 26.550 21.700 1.00 0.00 H +ATOM 5533 OG1 THR 363 58.900 25.870 20.050 1.00 0.00 O +ATOM 5534 HG1 THR 363 58.238 25.198 19.870 1.00 0.00 H +ATOM 5535 CG2 THR 363 59.340 24.450 21.800 1.00 0.00 C +ATOM 5536 1HG2 THR 363 58.510 23.740 21.600 1.00 0.00 H +ATOM 5537 2HG2 THR 363 60.290 24.200 21.280 1.00 0.00 H +ATOM 5538 3HG2 THR 363 59.538 24.470 22.894 1.00 0.00 H +ATOM 5539 C THR 363 57.390 27.680 21.990 1.00 0.00 C +ATOM 5540 O THR 363 56.390 27.890 21.330 1.00 0.00 O +ATOM 5541 N PHE 364 58.240 28.660 22.330 1.00 0.00 N +ATOM 5542 HN PHE 364 59.096 28.382 22.758 1.00 0.00 H +ATOM 5543 CA PHE 364 57.840 30.080 22.200 1.00 0.00 C +ATOM 5544 HA PHE 364 56.942 30.200 22.788 1.00 0.00 H +ATOM 5545 CB PHE 364 58.880 30.930 22.920 1.00 0.00 C +ATOM 5546 HB1 PHE 364 59.874 30.622 22.532 1.00 0.00 H +ATOM 5547 HB2 PHE 364 58.710 32.008 22.710 1.00 0.00 H +ATOM 5548 CG PHE 364 58.980 30.790 24.420 1.00 0.00 C +ATOM 5549 CD1 PHE 364 57.880 31.000 25.300 1.00 0.00 C +ATOM 5550 HD1 PHE 364 56.952 31.260 24.812 1.00 0.00 H +ATOM 5551 CE1 PHE 364 57.970 30.770 26.670 1.00 0.00 C +ATOM 5552 HE1 PHE 364 57.138 30.960 27.332 1.00 0.00 H +ATOM 5553 CZ PHE 364 59.140 30.290 27.190 1.00 0.00 C +ATOM 5554 HZ PHE 364 59.210 30.070 28.246 1.00 0.00 H +ATOM 5555 CD2 PHE 364 60.230 30.360 24.990 1.00 0.00 C +ATOM 5556 HD2 PHE 364 61.144 30.200 24.438 1.00 0.00 H +ATOM 5557 CE2 PHE 364 60.210 30.110 26.380 1.00 0.00 C +ATOM 5558 HE2 PHE 364 61.088 29.740 26.888 1.00 0.00 H +ATOM 5559 C PHE 364 57.440 30.520 20.780 1.00 0.00 C +ATOM 5560 O PHE 364 58.180 30.240 19.820 1.00 0.00 O +ATOM 5561 N GLY 365 56.280 31.100 20.650 1.00 0.00 N +ATOM 5562 HN GLY 365 55.830 31.330 21.510 1.00 0.00 H +ATOM 5563 CA GLY 365 55.680 31.510 19.420 1.00 0.00 C +ATOM 5564 HA1 GLY 365 55.080 32.400 19.530 1.00 0.00 H +ATOM 5565 HA2 GLY 365 56.446 31.600 18.664 1.00 0.00 H +ATOM 5566 C GLY 365 54.740 30.460 18.920 1.00 0.00 C +ATOM 5567 O GLY 365 54.150 30.660 17.840 1.00 0.00 O +ATOM 5568 N ASP 366 54.580 29.250 19.570 1.00 0.00 N +ATOM 5569 HN ASP 366 54.918 29.210 20.508 1.00 0.00 H +ATOM 5570 CA ASP 366 53.650 28.220 19.110 1.00 0.00 C +ATOM 5571 HA ASP 366 53.700 28.230 18.032 1.00 0.00 H +ATOM 5572 CB ASP 366 54.100 26.810 19.500 1.00 0.00 C +ATOM 5573 HB1 ASP 366 55.190 26.800 19.290 1.00 0.00 H +ATOM 5574 HB2 ASP 366 54.050 26.610 20.592 1.00 0.00 H +ATOM 5575 CG ASP 366 53.490 25.690 18.650 1.00 0.00 C +ATOM 5576 OD1 ASP 366 52.390 25.850 18.130 1.00 0.00 O +ATOM 5577 OD2 ASP 366 54.040 24.530 18.640 1.00 0.00 O +ATOM 5578 C ASP 366 52.160 28.440 19.480 1.00 0.00 C +ATOM 5579 O ASP 366 51.680 28.000 20.530 1.00 0.00 O +ATOM 5580 N PHE 367 51.480 29.170 18.650 1.00 0.00 N +ATOM 5581 HN PHE 367 52.012 29.552 17.898 1.00 0.00 H +ATOM 5582 CA PHE 367 50.060 29.540 18.880 1.00 0.00 C +ATOM 5583 HA PHE 367 49.990 29.868 19.906 1.00 0.00 H +ATOM 5584 CB PHE 367 49.600 30.780 17.960 1.00 0.00 C +ATOM 5585 HB1 PHE 367 50.022 31.794 18.120 1.00 0.00 H +ATOM 5586 HB2 PHE 367 50.110 30.510 17.010 1.00 0.00 H +ATOM 5587 CG PHE 367 48.120 30.880 17.800 1.00 0.00 C +ATOM 5588 CD1 PHE 367 47.410 30.440 16.670 1.00 0.00 C +ATOM 5589 HD1 PHE 367 47.960 30.260 15.758 1.00 0.00 H +ATOM 5590 CE1 PHE 367 46.000 30.560 16.570 1.00 0.00 C +ATOM 5591 HE1 PHE 367 45.472 30.400 15.642 1.00 0.00 H +ATOM 5592 CZ PHE 367 45.360 30.980 17.740 1.00 0.00 C +ATOM 5593 HZ PHE 367 44.282 31.040 17.720 1.00 0.00 H +ATOM 5594 CD2 PHE 367 47.410 31.450 18.920 1.00 0.00 C +ATOM 5595 HD2 PHE 367 47.840 31.840 19.830 1.00 0.00 H +ATOM 5596 CE2 PHE 367 46.000 31.350 18.870 1.00 0.00 C +ATOM 5597 HE2 PHE 367 45.470 31.500 19.800 1.00 0.00 H +ATOM 5598 C PHE 367 49.030 28.390 18.880 1.00 0.00 C +ATOM 5599 O PHE 367 48.120 28.460 19.650 1.00 0.00 O +ATOM 5600 N LYS 368 49.280 27.430 17.980 1.00 0.00 N +ATOM 5601 HN LYS 368 50.090 27.470 17.400 1.00 0.00 H +ATOM 5602 CA LYS 368 48.430 26.240 17.900 1.00 0.00 C +ATOM 5603 HA LYS 368 47.444 26.662 18.020 1.00 0.00 H +ATOM 5604 CB LYS 368 48.570 25.620 16.510 1.00 0.00 C +ATOM 5605 HB1 LYS 368 49.576 25.162 16.390 1.00 0.00 H +ATOM 5606 HB2 LYS 368 47.842 24.792 16.370 1.00 0.00 H +ATOM 5607 CG LYS 368 48.240 26.680 15.430 1.00 0.00 C +ATOM 5608 HG1 LYS 368 47.248 27.162 15.560 1.00 0.00 H +ATOM 5609 HG2 LYS 368 48.958 27.528 15.460 1.00 0.00 H +ATOM 5610 CD LYS 368 48.300 26.080 14.090 1.00 0.00 C +ATOM 5611 HD1 LYS 368 49.354 25.778 13.910 1.00 0.00 H +ATOM 5612 HD2 LYS 368 47.712 25.142 13.990 1.00 0.00 H +ATOM 5613 CE LYS 368 47.680 27.000 13.050 1.00 0.00 C +ATOM 5614 HE1 LYS 368 46.632 27.280 13.290 1.00 0.00 H +ATOM 5615 HE2 LYS 368 48.358 27.878 13.000 1.00 0.00 H +ATOM 5616 NZ LYS 368 47.680 26.350 11.690 1.00 0.00 N +ATOM 5617 HZ1 LYS 368 48.602 26.120 11.268 1.00 0.00 H +ATOM 5618 HZ2 LYS 368 46.952 25.612 11.620 1.00 0.00 H +ATOM 5619 HZ3 LYS 368 47.270 27.050 11.040 1.00 0.00 H +ATOM 5620 C LYS 368 48.630 25.270 19.020 1.00 0.00 C +ATOM 5621 O LYS 368 47.660 24.610 19.450 1.00 0.00 O +ATOM 5622 N GLY 369 49.860 25.150 19.460 1.00 0.00 N +ATOM 5623 HN GLY 369 50.554 25.666 18.964 1.00 0.00 H +ATOM 5624 CA GLY 369 50.350 24.390 20.520 1.00 0.00 C +ATOM 5625 HA1 GLY 369 49.942 23.406 20.342 1.00 0.00 H +ATOM 5626 HA2 GLY 369 51.430 24.400 20.490 1.00 0.00 H +ATOM 5627 C GLY 369 49.850 24.990 21.800 1.00 0.00 C +ATOM 5628 O GLY 369 49.300 24.250 22.660 1.00 0.00 O +ATOM 5629 N ALA 370 49.980 26.320 22.050 1.00 0.00 N +ATOM 5630 HN ALA 370 50.548 26.808 21.392 1.00 0.00 H +ATOM 5631 CA ALA 370 49.400 27.100 23.130 1.00 0.00 C +ATOM 5632 HA ALA 370 49.750 26.720 24.078 1.00 0.00 H +ATOM 5633 CB ALA 370 49.900 28.630 23.200 1.00 0.00 C +ATOM 5634 HB1 ALA 370 49.496 29.064 24.138 1.00 0.00 H +ATOM 5635 HB2 ALA 370 50.996 28.690 23.370 1.00 0.00 H +ATOM 5636 HB3 ALA 370 49.670 29.228 22.292 1.00 0.00 H +ATOM 5637 C ALA 370 47.900 26.980 23.190 1.00 0.00 C +ATOM 5638 O ALA 370 47.430 26.780 24.290 1.00 0.00 O +ATOM 5639 N LYS 371 47.180 27.080 22.100 1.00 0.00 N +ATOM 5640 HN LYS 371 47.622 27.430 21.278 1.00 0.00 H +ATOM 5641 CA LYS 371 45.770 27.030 22.020 1.00 0.00 C +ATOM 5642 HA LYS 371 45.360 27.668 22.788 1.00 0.00 H +ATOM 5643 CB LYS 371 45.220 27.360 20.620 1.00 0.00 C +ATOM 5644 HB1 LYS 371 45.650 28.302 20.220 1.00 0.00 H +ATOM 5645 HB2 LYS 371 45.460 26.612 19.832 1.00 0.00 H +ATOM 5646 CG LYS 371 43.620 27.510 20.700 1.00 0.00 C +ATOM 5647 HG1 LYS 371 43.260 26.938 21.582 1.00 0.00 H +ATOM 5648 HG2 LYS 371 43.370 28.570 20.920 1.00 0.00 H +ATOM 5649 CD LYS 371 42.940 26.960 19.430 1.00 0.00 C +ATOM 5650 HD1 LYS 371 43.400 27.490 18.570 1.00 0.00 H +ATOM 5651 HD2 LYS 371 43.060 25.868 19.260 1.00 0.00 H +ATOM 5652 CE LYS 371 41.430 27.220 19.390 1.00 0.00 C +ATOM 5653 HE1 LYS 371 40.900 26.480 20.030 1.00 0.00 H +ATOM 5654 HE2 LYS 371 41.320 28.286 19.682 1.00 0.00 H +ATOM 5655 NZ LYS 371 40.820 27.080 18.090 1.00 0.00 N +ATOM 5656 HZ1 LYS 371 39.966 26.488 18.110 1.00 0.00 H +ATOM 5657 HZ2 LYS 371 40.530 28.058 17.890 1.00 0.00 H +ATOM 5658 HZ3 LYS 371 41.396 26.762 17.284 1.00 0.00 H +ATOM 5659 C LYS 371 45.310 25.590 22.400 1.00 0.00 C +ATOM 5660 O LYS 371 44.390 25.390 23.150 1.00 0.00 O +ATOM 5661 N GLN 372 46.080 24.530 21.940 1.00 0.00 N +ATOM 5662 HN GLN 372 46.910 24.580 21.390 1.00 0.00 H +ATOM 5663 CA GLN 372 45.830 23.110 22.190 1.00 0.00 C +ATOM 5664 HA GLN 372 44.762 22.980 22.100 1.00 0.00 H +ATOM 5665 CB GLN 372 46.720 22.070 21.340 1.00 0.00 C +ATOM 5666 HB1 GLN 372 46.710 22.400 20.280 1.00 0.00 H +ATOM 5667 HB2 GLN 372 47.766 22.070 21.712 1.00 0.00 H +ATOM 5668 CG GLN 372 46.310 20.560 21.650 1.00 0.00 C +ATOM 5669 HG1 GLN 372 46.910 19.890 21.000 1.00 0.00 H +ATOM 5670 HG2 GLN 372 46.600 20.340 22.700 1.00 0.00 H +ATOM 5671 CD GLN 372 44.820 20.410 21.340 1.00 0.00 C +ATOM 5672 OE1 GLN 372 44.460 20.930 20.270 1.00 0.00 O +ATOM 5673 NE2 GLN 372 44.030 19.750 22.160 1.00 0.00 N +ATOM 5674 1HE2 GLN 372 44.330 19.640 23.108 1.00 0.00 H +ATOM 5675 2HE2 GLN 372 43.078 19.520 21.960 1.00 0.00 H +ATOM 5676 C GLN 372 46.040 22.780 23.650 1.00 0.00 C +ATOM 5677 O GLN 372 45.230 22.130 24.240 1.00 0.00 O +ATOM 5678 N LEU 373 47.180 23.200 24.220 1.00 0.00 N +ATOM 5679 HN LEU 373 47.846 23.768 23.742 1.00 0.00 H +ATOM 5680 CA LEU 373 47.510 23.060 25.620 1.00 0.00 C +ATOM 5681 HA LEU 373 47.370 22.016 25.858 1.00 0.00 H +ATOM 5682 CB LEU 373 49.010 23.290 25.830 1.00 0.00 C +ATOM 5683 HB1 LEU 373 49.568 22.554 25.212 1.00 0.00 H +ATOM 5684 HB2 LEU 373 49.290 24.310 25.490 1.00 0.00 H +ATOM 5685 CG LEU 373 49.540 23.190 27.270 1.00 0.00 C +ATOM 5686 HG LEU 373 49.022 23.956 27.886 1.00 0.00 H +ATOM 5687 CD1 LEU 373 49.290 21.780 27.820 1.00 0.00 C +ATOM 5688 1HD1 LEU 373 49.850 21.000 27.260 1.00 0.00 H +ATOM 5689 2HD1 LEU 373 49.452 21.780 28.918 1.00 0.00 H +ATOM 5690 3HD1 LEU 373 48.196 21.590 27.780 1.00 0.00 H +ATOM 5691 CD2 LEU 373 51.020 23.500 27.410 1.00 0.00 C +ATOM 5692 1HD2 LEU 373 51.622 22.658 27.008 1.00 0.00 H +ATOM 5693 2HD2 LEU 373 51.250 24.450 26.880 1.00 0.00 H +ATOM 5694 3HD2 LEU 373 51.268 23.700 28.474 1.00 0.00 H +ATOM 5695 C LEU 373 46.640 23.850 26.570 1.00 0.00 C +ATOM 5696 O LEU 373 46.250 23.360 27.620 1.00 0.00 O +ATOM 5697 N ALA 374 46.130 25.070 26.150 1.00 0.00 N +ATOM 5698 HN ALA 374 46.492 25.582 25.376 1.00 0.00 H +ATOM 5699 CA ALA 374 45.120 25.740 26.900 1.00 0.00 C +ATOM 5700 HA ALA 374 45.380 25.920 27.932 1.00 0.00 H +ATOM 5701 CB ALA 374 44.910 27.140 26.240 1.00 0.00 C +ATOM 5702 HB1 ALA 374 45.794 27.812 26.230 1.00 0.00 H +ATOM 5703 HB2 ALA 374 44.560 26.880 25.218 1.00 0.00 H +ATOM 5704 HB3 ALA 374 44.098 27.702 26.750 1.00 0.00 H +ATOM 5705 C ALA 374 43.810 24.990 27.040 1.00 0.00 C +ATOM 5706 O ALA 374 43.290 24.960 28.150 1.00 0.00 O +ATOM 5707 N LEU 375 43.300 24.320 25.970 1.00 0.00 N +ATOM 5708 HN LEU 375 43.650 24.490 25.052 1.00 0.00 H +ATOM 5709 CA LEU 375 42.120 23.440 25.910 1.00 0.00 C +ATOM 5710 HA LEU 375 41.300 23.880 26.460 1.00 0.00 H +ATOM 5711 CB LEU 375 41.760 23.140 24.430 1.00 0.00 C +ATOM 5712 HB1 LEU 375 42.662 22.780 23.890 1.00 0.00 H +ATOM 5713 HB2 LEU 375 40.970 22.360 24.410 1.00 0.00 H +ATOM 5714 CG LEU 375 41.080 24.320 23.710 1.00 0.00 C +ATOM 5715 HG LEU 375 41.778 25.178 23.610 1.00 0.00 H +ATOM 5716 CD1 LEU 375 40.980 23.900 22.210 1.00 0.00 C +ATOM 5717 1HD1 LEU 375 40.322 23.004 22.190 1.00 0.00 H +ATOM 5718 2HD1 LEU 375 40.532 24.756 21.662 1.00 0.00 H +ATOM 5719 3HD1 LEU 375 41.954 23.598 21.768 1.00 0.00 H +ATOM 5720 CD2 LEU 375 39.640 24.690 24.270 1.00 0.00 C +ATOM 5721 1HD2 LEU 375 38.968 23.828 24.070 1.00 0.00 H +ATOM 5722 2HD2 LEU 375 39.570 24.820 25.372 1.00 0.00 H +ATOM 5723 3HD2 LEU 375 39.250 25.650 23.870 1.00 0.00 H +ATOM 5724 C LEU 375 42.440 22.130 26.640 1.00 0.00 C +ATOM 5725 O LEU 375 41.690 21.730 27.510 1.00 0.00 O +ATOM 5726 N ASP 376 43.630 21.490 26.450 1.00 0.00 N +ATOM 5727 HN ASP 376 44.200 21.820 25.700 1.00 0.00 H +ATOM 5728 CA ASP 376 44.030 20.340 27.200 1.00 0.00 C +ATOM 5729 HA ASP 376 43.258 19.608 27.010 1.00 0.00 H +ATOM 5730 CB ASP 376 45.430 19.970 26.690 1.00 0.00 C +ATOM 5731 HB1 ASP 376 46.040 20.900 26.680 1.00 0.00 H +ATOM 5732 HB2 ASP 376 45.968 19.362 27.448 1.00 0.00 H +ATOM 5733 CG ASP 376 45.430 19.220 25.380 1.00 0.00 C +ATOM 5734 OD1 ASP 376 44.390 18.860 24.770 1.00 0.00 O +ATOM 5735 OD2 ASP 376 46.550 18.910 24.980 1.00 0.00 O +ATOM 5736 C ASP 376 44.020 20.610 28.770 1.00 0.00 C +ATOM 5737 O ASP 376 43.440 19.780 29.450 1.00 0.00 O +ATOM 5738 N ILE 377 44.610 21.680 29.280 1.00 0.00 N +ATOM 5739 HN ILE 377 45.110 22.328 28.710 1.00 0.00 H +ATOM 5740 CA ILE 377 44.560 22.050 30.650 1.00 0.00 C +ATOM 5741 HA ILE 377 45.132 21.328 31.212 1.00 0.00 H +ATOM 5742 CB ILE 377 45.280 23.410 30.870 1.00 0.00 C +ATOM 5743 HB ILE 377 45.000 24.030 29.990 1.00 0.00 H +ATOM 5744 CG2 ILE 377 44.810 24.170 32.130 1.00 0.00 C +ATOM 5745 1HG2 ILE 377 45.110 23.610 33.040 1.00 0.00 H +ATOM 5746 2HG2 ILE 377 45.350 25.140 32.190 1.00 0.00 H +ATOM 5747 3HG2 ILE 377 43.722 24.390 32.100 1.00 0.00 H +ATOM 5748 CG1 ILE 377 46.790 23.210 30.710 1.00 0.00 C +ATOM 5749 1HG1 ILE 377 47.080 22.730 31.670 1.00 0.00 H +ATOM 5750 2HG1 ILE 377 47.022 22.556 29.844 1.00 0.00 H +ATOM 5751 CD ILE 377 47.620 24.440 30.580 1.00 0.00 C +ATOM 5752 HD1 ILE 377 47.288 24.942 29.646 1.00 0.00 H +ATOM 5753 HD2 ILE 377 47.500 25.116 31.454 1.00 0.00 H +ATOM 5754 HD3 ILE 377 48.698 24.260 30.380 1.00 0.00 H +ATOM 5755 C ILE 377 43.160 22.130 31.230 1.00 0.00 C +ATOM 5756 O ILE 377 42.970 21.640 32.280 1.00 0.00 O +ATOM 5757 N ALA 378 42.180 22.800 30.550 1.00 0.00 N +ATOM 5758 HN ALA 378 42.540 23.310 29.772 1.00 0.00 H +ATOM 5759 CA ALA 378 40.840 23.000 31.010 1.00 0.00 C +ATOM 5760 HA ALA 378 40.860 23.272 32.054 1.00 0.00 H +ATOM 5761 CB ALA 378 40.190 23.990 30.010 1.00 0.00 C +ATOM 5762 HB1 ALA 378 39.222 24.290 30.468 1.00 0.00 H +ATOM 5763 HB2 ALA 378 40.780 24.910 29.810 1.00 0.00 H +ATOM 5764 HB3 ALA 378 39.960 23.430 29.080 1.00 0.00 H +ATOM 5765 C ALA 378 40.030 21.760 31.100 1.00 0.00 C +ATOM 5766 O ALA 378 39.030 21.610 31.880 1.00 0.00 O +ATOM 5767 N TYR 379 40.210 20.760 30.190 1.00 0.00 N +ATOM 5768 HN TYR 379 41.036 20.770 29.632 1.00 0.00 H +ATOM 5769 CA TYR 379 39.490 19.510 30.120 1.00 0.00 C +ATOM 5770 HA TYR 379 38.580 19.620 30.690 1.00 0.00 H +ATOM 5771 CB TYR 379 39.110 19.060 28.710 1.00 0.00 C +ATOM 5772 HB1 TYR 379 39.964 18.900 28.018 1.00 0.00 H +ATOM 5773 HB2 TYR 379 38.504 18.136 28.830 1.00 0.00 H +ATOM 5774 CG TYR 379 38.190 20.050 28.100 1.00 0.00 C +ATOM 5775 CD1 TYR 379 36.810 19.990 28.520 1.00 0.00 C +ATOM 5776 HD1 TYR 379 36.520 19.240 29.240 1.00 0.00 H +ATOM 5777 CE1 TYR 379 35.890 20.960 28.090 1.00 0.00 C +ATOM 5778 HE1 TYR 379 34.864 20.820 28.392 1.00 0.00 H +ATOM 5779 CZ TYR 379 36.330 21.930 27.110 1.00 0.00 C +ATOM 5780 OH TYR 379 35.460 22.780 26.500 1.00 0.00 O +ATOM 5781 HH TYR 379 34.538 22.600 26.700 1.00 0.00 H +ATOM 5782 CD2 TYR 379 38.600 21.030 27.200 1.00 0.00 C +ATOM 5783 HD2 TYR 379 39.612 21.060 26.822 1.00 0.00 H +ATOM 5784 CE2 TYR 379 37.660 21.960 26.800 1.00 0.00 C +ATOM 5785 HE2 TYR 379 38.008 22.796 26.212 1.00 0.00 H +ATOM 5786 C TYR 379 40.360 18.430 30.790 1.00 0.00 C +ATOM 5787 O TYR 379 40.050 17.260 30.780 1.00 0.00 O +ATOM 5788 N ARG 380 41.470 18.850 31.480 1.00 0.00 N +ATOM 5789 HN ARG 380 41.560 19.808 31.742 1.00 0.00 H +ATOM 5790 CA ARG 380 42.590 18.030 31.910 1.00 0.00 C +ATOM 5791 HA ARG 380 43.454 18.634 31.678 1.00 0.00 H +ATOM 5792 CB ARG 380 42.470 17.630 33.400 1.00 0.00 C +ATOM 5793 HB1 ARG 380 41.542 17.072 33.650 1.00 0.00 H +ATOM 5794 HB2 ARG 380 43.288 16.902 33.590 1.00 0.00 H +ATOM 5795 CG ARG 380 42.730 18.730 34.420 1.00 0.00 C +ATOM 5796 HG1 ARG 380 43.600 19.360 34.140 1.00 0.00 H +ATOM 5797 HG2 ARG 380 41.846 19.404 34.440 1.00 0.00 H +ATOM 5798 CD ARG 380 42.860 18.100 35.820 1.00 0.00 C +ATOM 5799 HD1 ARG 380 41.958 17.468 35.960 1.00 0.00 H +ATOM 5800 HD2 ARG 380 43.782 17.480 35.800 1.00 0.00 H +ATOM 5801 NE ARG 380 42.830 19.160 36.890 1.00 0.00 N +ATOM 5802 HE ARG 380 42.008 19.700 37.070 1.00 0.00 H +ATOM 5803 CZ ARG 380 43.800 19.310 37.770 1.00 0.00 C +ATOM 5804 NH1 ARG 380 44.890 18.680 37.980 1.00 0.00 N +ATOM 5805 1HH1 ARG 380 45.120 17.788 37.590 1.00 0.00 H +ATOM 5806 2HH1 ARG 380 45.462 19.122 38.672 1.00 0.00 H +ATOM 5807 NH2 ARG 380 43.760 20.300 38.620 1.00 0.00 N +ATOM 5808 1HH2 ARG 380 42.850 20.470 39.000 1.00 0.00 H +ATOM 5809 2HH2 ARG 380 44.416 20.200 39.366 1.00 0.00 H +ATOM 5810 C ARG 380 42.850 16.780 30.990 1.00 0.00 C +ATOM 5811 O ARG 380 42.830 15.580 31.430 1.00 0.00 O +ATOM 5812 N LYS 381 43.220 16.970 29.680 1.00 0.00 N +ATOM 5813 HN LYS 381 43.390 17.888 29.330 1.00 0.00 H +ATOM 5814 CA LYS 381 43.580 15.970 28.740 1.00 0.00 C +ATOM 5815 HA LYS 381 43.240 15.030 29.150 1.00 0.00 H +ATOM 5816 CB LYS 381 42.720 16.210 27.400 1.00 0.00 C +ATOM 5817 HB1 LYS 381 42.910 17.232 27.010 1.00 0.00 H +ATOM 5818 HB2 LYS 381 42.950 15.560 26.530 1.00 0.00 H +ATOM 5819 CG LYS 381 41.220 16.010 27.600 1.00 0.00 C +ATOM 5820 HG1 LYS 381 41.030 15.070 28.160 1.00 0.00 H +ATOM 5821 HG2 LYS 381 40.822 16.806 28.266 1.00 0.00 H +ATOM 5822 CD LYS 381 40.480 15.800 26.300 1.00 0.00 C +ATOM 5823 HD1 LYS 381 40.678 16.584 25.536 1.00 0.00 H +ATOM 5824 HD2 LYS 381 40.760 14.848 25.800 1.00 0.00 H +ATOM 5825 CE LYS 381 38.910 15.820 26.470 1.00 0.00 C +ATOM 5826 HE1 LYS 381 38.570 14.888 26.970 1.00 0.00 H +ATOM 5827 HE2 LYS 381 38.710 16.732 27.072 1.00 0.00 H +ATOM 5828 NZ LYS 381 38.170 15.980 25.180 1.00 0.00 N +ATOM 5829 HZ1 LYS 381 37.446 15.246 25.040 1.00 0.00 H +ATOM 5830 HZ2 LYS 381 37.670 16.890 25.240 1.00 0.00 H +ATOM 5831 HZ3 LYS 381 38.728 15.990 24.302 1.00 0.00 H +ATOM 5832 C LYS 381 45.070 15.820 28.440 1.00 0.00 C +ATOM 5833 O LYS 381 45.800 16.800 28.220 1.00 0.00 O +ATOM 5834 N GLY 382 45.590 14.580 28.500 1.00 0.00 N +ATOM 5835 HN GLY 382 45.012 13.774 28.600 1.00 0.00 H +ATOM 5836 CA GLY 382 46.980 14.170 28.440 1.00 0.00 C +ATOM 5837 HA1 GLY 382 46.810 13.112 28.300 1.00 0.00 H +ATOM 5838 HA2 GLY 382 47.462 14.704 27.636 1.00 0.00 H +ATOM 5839 C GLY 382 47.750 14.400 29.710 1.00 0.00 C +ATOM 5840 O GLY 382 47.300 15.090 30.580 1.00 0.00 O +ATOM 5841 N GLU 383 48.960 13.830 29.850 1.00 0.00 N +ATOM 5842 HN GLU 383 49.396 13.314 29.116 1.00 0.00 H +ATOM 5843 CA GLU 383 49.790 14.040 31.030 1.00 0.00 C +ATOM 5844 HA GLU 383 49.202 13.820 31.908 1.00 0.00 H +ATOM 5845 CB GLU 383 51.150 13.260 31.020 1.00 0.00 C +ATOM 5846 HB1 GLU 383 51.640 13.520 30.058 1.00 0.00 H +ATOM 5847 HB2 GLU 383 51.854 13.562 31.824 1.00 0.00 H +ATOM 5848 CG GLU 383 50.900 11.710 31.300 1.00 0.00 C +ATOM 5849 HG1 GLU 383 50.630 11.440 32.342 1.00 0.00 H +ATOM 5850 HG2 GLU 383 50.012 11.510 30.662 1.00 0.00 H +ATOM 5851 CD GLU 383 52.010 10.750 30.910 1.00 0.00 C +ATOM 5852 OE1 GLU 383 51.860 9.510 30.990 1.00 0.00 O +ATOM 5853 OE2 GLU 383 53.030 11.220 30.380 1.00 0.00 O +ATOM 5854 C GLU 383 50.180 15.450 31.170 1.00 0.00 C +ATOM 5855 O GLU 383 50.310 15.980 32.260 1.00 0.00 O +ATOM 5856 N LEU 384 50.510 16.110 30.010 1.00 0.00 N +ATOM 5857 HN LEU 384 50.560 15.590 29.160 1.00 0.00 H +ATOM 5858 CA LEU 384 50.970 17.510 29.970 1.00 0.00 C +ATOM 5859 HA LEU 384 51.792 17.710 30.642 1.00 0.00 H +ATOM 5860 CB LEU 384 51.360 17.800 28.500 1.00 0.00 C +ATOM 5861 HB1 LEU 384 52.140 17.110 28.110 1.00 0.00 H +ATOM 5862 HB2 LEU 384 50.450 17.610 27.890 1.00 0.00 H +ATOM 5863 CG LEU 384 51.900 19.240 28.290 1.00 0.00 C +ATOM 5864 HG LEU 384 51.190 19.980 28.720 1.00 0.00 H +ATOM 5865 CD1 LEU 384 53.270 19.450 28.940 1.00 0.00 C +ATOM 5866 1HD1 LEU 384 53.990 18.930 28.270 1.00 0.00 H +ATOM 5867 2HD1 LEU 384 53.460 20.544 28.950 1.00 0.00 H +ATOM 5868 3HD1 LEU 384 53.200 18.950 29.930 1.00 0.00 H +ATOM 5869 CD2 LEU 384 52.120 19.590 26.790 1.00 0.00 C +ATOM 5870 1HD2 LEU 384 51.202 19.370 26.202 1.00 0.00 H +ATOM 5871 2HD2 LEU 384 52.280 20.686 26.700 1.00 0.00 H +ATOM 5872 3HD2 LEU 384 52.942 19.028 26.298 1.00 0.00 H +ATOM 5873 C LEU 384 49.890 18.440 30.490 1.00 0.00 C +ATOM 5874 O LEU 384 50.080 19.400 31.290 1.00 0.00 O +ATOM 5875 N GLY 385 48.630 18.190 30.130 1.00 0.00 N +ATOM 5876 HN GLY 385 48.520 17.624 29.316 1.00 0.00 H +ATOM 5877 CA GLY 385 47.470 19.040 30.550 1.00 0.00 C +ATOM 5878 HA1 GLY 385 47.680 20.078 30.340 1.00 0.00 H +ATOM 5879 HA2 GLY 385 46.624 18.802 29.922 1.00 0.00 H +ATOM 5880 C GLY 385 47.120 18.940 31.990 1.00 0.00 C +ATOM 5881 O GLY 385 46.920 19.940 32.580 1.00 0.00 O +ATOM 5882 N ASN 386 47.080 17.720 32.600 1.00 0.00 N +ATOM 5883 HN ASN 386 47.120 16.940 31.980 1.00 0.00 H +ATOM 5884 CA ASN 386 46.930 17.480 33.990 1.00 0.00 C +ATOM 5885 HA ASN 386 46.022 17.970 34.310 1.00 0.00 H +ATOM 5886 CB ASN 386 46.850 15.980 34.340 1.00 0.00 C +ATOM 5887 HB1 ASN 386 47.676 15.394 33.882 1.00 0.00 H +ATOM 5888 HB2 ASN 386 46.900 15.950 35.450 1.00 0.00 H +ATOM 5889 CG ASN 386 45.580 15.250 34.040 1.00 0.00 C +ATOM 5890 OD1 ASN 386 44.660 15.270 34.820 1.00 0.00 O +ATOM 5891 ND2 ASN 386 45.570 14.510 32.940 1.00 0.00 N +ATOM 5892 1HD2 ASN 386 46.426 14.460 32.422 1.00 0.00 H +ATOM 5893 2HD2 ASN 386 44.746 14.290 32.418 1.00 0.00 H +ATOM 5894 C ASN 386 48.070 18.110 34.790 1.00 0.00 C +ATOM 5895 O ASN 386 47.860 18.700 35.860 1.00 0.00 O +ATOM 5896 N LEU 387 49.300 17.850 34.370 1.00 0.00 N +ATOM 5897 HN LEU 387 49.440 17.294 33.554 1.00 0.00 H +ATOM 5898 CA LEU 387 50.450 18.490 34.910 1.00 0.00 C +ATOM 5899 HA LEU 387 50.500 18.240 35.960 1.00 0.00 H +ATOM 5900 CB LEU 387 51.760 18.070 34.230 1.00 0.00 C +ATOM 5901 HB1 LEU 387 51.740 16.970 34.380 1.00 0.00 H +ATOM 5902 HB2 LEU 387 51.610 18.348 33.164 1.00 0.00 H +ATOM 5903 CG LEU 387 53.090 18.590 34.770 1.00 0.00 C +ATOM 5904 HG LEU 387 53.160 19.684 34.590 1.00 0.00 H +ATOM 5905 CD1 LEU 387 53.200 18.530 36.300 1.00 0.00 C +ATOM 5906 1HD1 LEU 387 52.970 17.482 36.590 1.00 0.00 H +ATOM 5907 2HD1 LEU 387 54.206 18.828 36.668 1.00 0.00 H +ATOM 5908 3HD1 LEU 387 52.554 19.316 36.744 1.00 0.00 H +ATOM 5909 CD2 LEU 387 54.380 18.020 34.180 1.00 0.00 C +ATOM 5910 1HD2 LEU 387 54.360 18.120 33.074 1.00 0.00 H +ATOM 5911 2HD2 LEU 387 55.260 18.600 34.530 1.00 0.00 H +ATOM 5912 3HD2 LEU 387 54.570 16.988 34.542 1.00 0.00 H +ATOM 5913 C LEU 387 50.440 20.040 34.930 1.00 0.00 C +ATOM 5914 O LEU 387 50.730 20.680 35.950 1.00 0.00 O +ATOM 5915 N ALA 388 49.970 20.720 33.840 1.00 0.00 N +ATOM 5916 HN ALA 388 49.622 20.202 33.062 1.00 0.00 H +ATOM 5917 CA ALA 388 49.940 22.120 33.800 1.00 0.00 C +ATOM 5918 HA ALA 388 50.728 22.508 34.428 1.00 0.00 H +ATOM 5919 CB ALA 388 50.240 22.430 32.340 1.00 0.00 C +ATOM 5920 HB1 ALA 388 50.470 23.502 32.170 1.00 0.00 H +ATOM 5921 HB2 ALA 388 51.260 22.010 32.210 1.00 0.00 H +ATOM 5922 HB3 ALA 388 49.622 22.062 31.492 1.00 0.00 H +ATOM 5923 C ALA 388 48.660 22.770 34.260 1.00 0.00 C +ATOM 5924 O ALA 388 48.530 23.930 34.300 1.00 0.00 O +ATOM 5925 N ALA 389 47.720 21.960 34.710 1.00 0.00 N +ATOM 5926 HN ALA 389 47.680 20.990 34.480 1.00 0.00 H +ATOM 5927 CA ALA 389 46.550 22.480 35.300 1.00 0.00 C +ATOM 5928 HA ALA 389 46.198 23.344 34.758 1.00 0.00 H +ATOM 5929 CB ALA 389 45.510 21.420 35.070 1.00 0.00 C +ATOM 5930 HB1 ALA 389 45.770 20.382 35.370 1.00 0.00 H +ATOM 5931 HB2 ALA 389 44.576 21.682 35.612 1.00 0.00 H +ATOM 5932 HB3 ALA 389 45.390 21.420 33.966 1.00 0.00 H +ATOM 5933 C ALA 389 46.730 22.630 36.790 1.00 0.00 C +ATOM 5934 O ALA 389 45.910 23.360 37.380 1.00 0.00 O +ATOM 5935 N GLU 390 47.730 21.990 37.410 1.00 0.00 N +ATOM 5936 HN GLU 390 48.348 21.472 36.822 1.00 0.00 H +ATOM 5937 CA GLU 390 48.180 22.140 38.760 1.00 0.00 C +ATOM 5938 HA GLU 390 47.316 22.210 39.406 1.00 0.00 H +ATOM 5939 CB GLU 390 49.020 20.920 39.320 1.00 0.00 C +ATOM 5940 HB1 GLU 390 49.854 20.800 38.594 1.00 0.00 H +ATOM 5941 HB2 GLU 390 49.500 21.200 40.282 1.00 0.00 H +ATOM 5942 CG GLU 390 48.220 19.620 39.440 1.00 0.00 C +ATOM 5943 HG1 GLU 390 47.812 19.500 38.414 1.00 0.00 H +ATOM 5944 HG2 GLU 390 48.970 18.810 39.570 1.00 0.00 H +ATOM 5945 CD GLU 390 47.250 19.570 40.590 1.00 0.00 C +ATOM 5946 OE1 GLU 390 46.000 19.580 40.270 1.00 0.00 O +ATOM 5947 OE2 GLU 390 47.690 19.620 41.760 1.00 0.00 O +ATOM 5948 C GLU 390 48.840 23.470 39.000 1.00 0.00 C +ATOM 5949 O GLU 390 48.770 23.990 40.090 1.00 0.00 O +ATOM 5950 N GLY 391 49.460 24.070 38.030 1.00 0.00 N +ATOM 5951 HN GLY 391 49.568 23.634 37.140 1.00 0.00 H +ATOM 5952 CA GLY 391 50.210 25.340 38.070 1.00 0.00 C +ATOM 5953 HA1 GLY 391 50.190 25.730 37.062 1.00 0.00 H +ATOM 5954 HA2 GLY 391 49.918 25.932 38.924 1.00 0.00 H +ATOM 5955 C GLY 391 51.740 25.250 38.290 1.00 0.00 C +ATOM 5956 O GLY 391 52.240 24.150 38.620 1.00 0.00 O +ATOM 5957 N VAL 392 52.560 26.360 38.080 1.00 0.00 N +ATOM 5958 HN VAL 392 52.130 27.240 37.890 1.00 0.00 H +ATOM 5959 CA VAL 392 54.060 26.450 38.030 1.00 0.00 C +ATOM 5960 HA VAL 392 54.340 25.718 37.288 1.00 0.00 H +ATOM 5961 CB VAL 392 54.390 27.910 37.610 1.00 0.00 C +ATOM 5962 HB VAL 392 53.908 28.582 38.352 1.00 0.00 H +ATOM 5963 CG1 VAL 392 55.910 28.150 37.760 1.00 0.00 C +ATOM 5964 1HG1 VAL 392 56.300 28.170 38.800 1.00 0.00 H +ATOM 5965 2HG1 VAL 392 56.510 27.440 37.150 1.00 0.00 H +ATOM 5966 3HG1 VAL 392 56.228 29.156 37.412 1.00 0.00 H +ATOM 5967 CG2 VAL 392 53.860 28.130 36.180 1.00 0.00 C +ATOM 5968 1HG2 VAL 392 54.170 27.308 35.500 1.00 0.00 H +ATOM 5969 2HG2 VAL 392 52.758 28.250 36.100 1.00 0.00 H +ATOM 5970 3HG2 VAL 392 54.402 28.972 35.698 1.00 0.00 H +ATOM 5971 C VAL 392 54.790 25.940 39.290 1.00 0.00 C +ATOM 5972 O VAL 392 55.820 25.280 39.160 1.00 0.00 O +ATOM 5973 N LYS 393 54.350 26.130 40.540 1.00 0.00 N +ATOM 5974 HN LYS 393 53.514 26.658 40.670 1.00 0.00 H +ATOM 5975 CA LYS 393 54.890 25.490 41.680 1.00 0.00 C +ATOM 5976 HA LYS 393 55.910 25.830 41.770 1.00 0.00 H +ATOM 5977 CB LYS 393 54.260 26.080 42.940 1.00 0.00 C +ATOM 5978 HB1 LYS 393 54.330 27.186 42.850 1.00 0.00 H +ATOM 5979 HB2 LYS 393 53.176 25.860 43.030 1.00 0.00 H +ATOM 5980 CG LYS 393 54.880 25.540 44.220 1.00 0.00 C +ATOM 5981 HG1 LYS 393 54.558 24.476 44.220 1.00 0.00 H +ATOM 5982 HG2 LYS 393 55.982 25.610 44.100 1.00 0.00 H +ATOM 5983 CD LYS 393 54.290 26.280 45.440 1.00 0.00 C +ATOM 5984 HD1 LYS 393 54.590 27.350 45.400 1.00 0.00 H +ATOM 5985 HD2 LYS 393 53.184 26.310 45.330 1.00 0.00 H +ATOM 5986 CE LYS 393 54.600 25.800 46.860 1.00 0.00 C +ATOM 5987 HE1 LYS 393 55.538 25.212 46.950 1.00 0.00 H +ATOM 5988 HE2 LYS 393 54.650 26.670 47.550 1.00 0.00 H +ATOM 5989 NZ LYS 393 53.540 24.870 47.300 1.00 0.00 N +ATOM 5990 HZ1 LYS 393 53.880 24.380 48.152 1.00 0.00 H +ATOM 5991 HZ2 LYS 393 52.644 25.364 47.482 1.00 0.00 H +ATOM 5992 HZ3 LYS 393 53.410 24.140 46.570 1.00 0.00 H +ATOM 5993 C LYS 393 54.790 23.920 41.610 1.00 0.00 C +ATOM 5994 O LYS 393 55.850 23.290 41.800 1.00 0.00 O +ATOM 5995 N ALA 394 53.640 23.260 41.280 1.00 0.00 N +ATOM 5996 HN ALA 394 52.830 23.780 41.020 1.00 0.00 H +ATOM 5997 CA ALA 394 53.510 21.890 41.180 1.00 0.00 C +ATOM 5998 HA ALA 394 54.000 21.420 42.020 1.00 0.00 H +ATOM 5999 CB ALA 394 52.040 21.410 41.010 1.00 0.00 C +ATOM 6000 HB1 ALA 394 51.382 21.798 41.818 1.00 0.00 H +ATOM 6001 HB2 ALA 394 51.680 21.810 40.038 1.00 0.00 H +ATOM 6002 HB3 ALA 394 52.000 20.302 40.970 1.00 0.00 H +ATOM 6003 C ALA 394 54.340 21.240 40.090 1.00 0.00 C +ATOM 6004 O ALA 394 54.930 20.140 40.290 1.00 0.00 O +ATOM 6005 N MET 395 54.380 21.920 38.900 1.00 0.00 N +ATOM 6006 HN MET 395 53.750 22.690 38.850 1.00 0.00 H +ATOM 6007 CA MET 395 55.200 21.570 37.790 1.00 0.00 C +ATOM 6008 HA MET 395 54.788 20.626 37.468 1.00 0.00 H +ATOM 6009 CB MET 395 55.040 22.530 36.600 1.00 0.00 C +ATOM 6010 HB1 MET 395 55.100 23.582 36.950 1.00 0.00 H +ATOM 6011 HB2 MET 395 55.808 22.300 35.832 1.00 0.00 H +ATOM 6012 CG MET 395 53.620 22.480 35.980 1.00 0.00 C +ATOM 6013 HG1 MET 395 53.288 21.436 36.160 1.00 0.00 H +ATOM 6014 HG2 MET 395 52.904 23.116 36.546 1.00 0.00 H +ATOM 6015 SD MET 395 53.480 22.760 34.250 1.00 0.00 S +ATOM 6016 CE MET 395 52.770 24.380 34.190 1.00 0.00 C +ATOM 6017 HE1 MET 395 52.500 24.630 33.142 1.00 0.00 H +ATOM 6018 HE2 MET 395 51.888 24.430 34.862 1.00 0.00 H +ATOM 6019 HE3 MET 395 53.510 25.160 34.470 1.00 0.00 H +ATOM 6020 C MET 395 56.670 21.560 38.220 1.00 0.00 C +ATOM 6021 O MET 395 57.430 20.620 38.030 1.00 0.00 O +ATOM 6022 N ALA 396 57.090 22.650 38.930 1.00 0.00 N +ATOM 6023 HN ALA 396 56.494 23.416 39.158 1.00 0.00 H +ATOM 6024 CA ALA 396 58.430 22.890 39.490 1.00 0.00 C +ATOM 6025 HA ALA 396 59.058 22.652 38.644 1.00 0.00 H +ATOM 6026 CB ALA 396 58.660 24.310 39.940 1.00 0.00 C +ATOM 6027 HB1 ALA 396 57.788 24.722 40.492 1.00 0.00 H +ATOM 6028 HB2 ALA 396 59.568 24.340 40.578 1.00 0.00 H +ATOM 6029 HB3 ALA 396 58.890 25.028 39.122 1.00 0.00 H +ATOM 6030 C ALA 396 58.840 21.870 40.470 1.00 0.00 C +ATOM 6031 O ALA 396 59.920 21.220 40.440 1.00 0.00 O +ATOM 6032 N GLU 397 57.920 21.490 41.310 1.00 0.00 N +ATOM 6033 HN GLU 397 57.020 21.920 41.280 1.00 0.00 H +ATOM 6034 CA GLU 397 58.190 20.380 42.280 1.00 0.00 C +ATOM 6035 HA GLU 397 59.150 20.630 42.710 1.00 0.00 H +ATOM 6036 CB GLU 397 57.030 20.450 43.340 1.00 0.00 C +ATOM 6037 HB1 GLU 397 56.098 20.370 42.740 1.00 0.00 H +ATOM 6038 HB2 GLU 397 57.220 19.548 43.960 1.00 0.00 H +ATOM 6039 CG GLU 397 57.170 21.720 44.240 1.00 0.00 C +ATOM 6040 HG1 GLU 397 58.200 21.650 44.650 1.00 0.00 H +ATOM 6041 HG2 GLU 397 57.070 22.742 43.818 1.00 0.00 H +ATOM 6042 CD GLU 397 56.320 21.730 45.510 1.00 0.00 C +ATOM 6043 OE1 GLU 397 56.730 22.310 46.560 1.00 0.00 O +ATOM 6044 OE2 GLU 397 55.210 21.180 45.610 1.00 0.00 O +ATOM 6045 C GLU 397 58.390 19.070 41.670 1.00 0.00 C +ATOM 6046 O GLU 397 59.330 18.300 41.930 1.00 0.00 O +ATOM 6047 N LYS 398 57.570 18.760 40.650 1.00 0.00 N +ATOM 6048 HN LYS 398 56.834 19.376 40.382 1.00 0.00 H +ATOM 6049 CA LYS 398 57.600 17.560 39.810 1.00 0.00 C +ATOM 6050 HA LYS 398 57.750 16.804 40.566 1.00 0.00 H +ATOM 6051 CB LYS 398 56.230 17.270 39.120 1.00 0.00 C +ATOM 6052 HB1 LYS 398 55.430 17.400 39.880 1.00 0.00 H +ATOM 6053 HB2 LYS 398 56.200 17.902 38.208 1.00 0.00 H +ATOM 6054 CG LYS 398 56.120 15.800 38.620 1.00 0.00 C +ATOM 6055 HG1 LYS 398 56.816 15.482 37.814 1.00 0.00 H +ATOM 6056 HG2 LYS 398 56.342 15.126 39.474 1.00 0.00 H +ATOM 6057 CD LYS 398 54.710 15.540 38.080 1.00 0.00 C +ATOM 6058 HD1 LYS 398 54.010 15.680 38.930 1.00 0.00 H +ATOM 6059 HD2 LYS 398 54.440 16.150 37.190 1.00 0.00 H +ATOM 6060 CE LYS 398 54.550 14.050 37.640 1.00 0.00 C +ATOM 6061 HE1 LYS 398 55.012 13.930 36.636 1.00 0.00 H +ATOM 6062 HE2 LYS 398 55.150 13.340 38.250 1.00 0.00 H +ATOM 6063 NZ LYS 398 53.110 13.560 37.550 1.00 0.00 N +ATOM 6064 HZ1 LYS 398 52.610 14.158 36.862 1.00 0.00 H +ATOM 6065 HZ2 LYS 398 53.060 12.586 37.188 1.00 0.00 H +ATOM 6066 HZ3 LYS 398 52.718 13.530 38.512 1.00 0.00 H +ATOM 6067 C LYS 398 58.780 17.350 38.880 1.00 0.00 C +ATOM 6068 O LYS 398 59.400 16.250 38.820 1.00 0.00 O +ATOM 6069 N LEU 399 59.210 18.360 38.180 1.00 0.00 N +ATOM 6070 HN LEU 399 58.760 19.242 38.300 1.00 0.00 H +ATOM 6071 CA LEU 399 60.270 18.340 37.220 1.00 0.00 C +ATOM 6072 HA LEU 399 60.310 17.322 36.860 1.00 0.00 H +ATOM 6073 CB LEU 399 59.920 19.250 36.030 1.00 0.00 C +ATOM 6074 HB1 LEU 399 59.592 20.234 36.428 1.00 0.00 H +ATOM 6075 HB2 LEU 399 60.852 19.380 35.440 1.00 0.00 H +ATOM 6076 CG LEU 399 58.840 18.630 35.130 1.00 0.00 C +ATOM 6077 HG LEU 399 58.046 18.178 35.762 1.00 0.00 H +ATOM 6078 CD1 LEU 399 58.030 19.680 34.240 1.00 0.00 C +ATOM 6079 1HD1 LEU 399 58.800 20.360 33.820 1.00 0.00 H +ATOM 6080 2HD1 LEU 399 57.418 19.250 33.418 1.00 0.00 H +ATOM 6081 3HD1 LEU 399 57.362 20.278 34.898 1.00 0.00 H +ATOM 6082 CD2 LEU 399 59.480 17.600 34.190 1.00 0.00 C +ATOM 6083 1HD2 LEU 399 58.672 16.970 33.760 1.00 0.00 H +ATOM 6084 2HD2 LEU 399 60.038 18.138 33.394 1.00 0.00 H +ATOM 6085 3HD2 LEU 399 60.196 16.942 34.728 1.00 0.00 H +ATOM 6086 C LEU 399 61.720 18.820 37.770 1.00 0.00 C +ATOM 6087 O LEU 399 62.730 18.490 37.140 1.00 0.00 O +ATOM 6088 N GLY 400 61.740 19.520 38.900 1.00 0.00 N +ATOM 6089 HN GLY 400 60.992 19.500 39.558 1.00 0.00 H +ATOM 6090 CA GLY 400 62.920 20.120 39.360 1.00 0.00 C +ATOM 6091 HA1 GLY 400 62.780 20.370 40.402 1.00 0.00 H +ATOM 6092 HA2 GLY 400 63.722 19.408 39.240 1.00 0.00 H +ATOM 6093 C GLY 400 63.150 21.340 38.590 1.00 0.00 C +ATOM 6094 O GLY 400 64.270 21.720 38.300 1.00 0.00 O +ATOM 6095 N THR 401 62.100 22.060 38.150 1.00 0.00 N +ATOM 6096 HN THR 401 61.132 21.848 38.260 1.00 0.00 H +ATOM 6097 CA THR 401 62.230 23.290 37.310 1.00 0.00 C +ATOM 6098 HA THR 401 63.162 23.230 36.768 1.00 0.00 H +ATOM 6099 CB THR 401 61.220 23.380 36.120 1.00 0.00 C +ATOM 6100 HB THR 401 61.090 24.406 35.718 1.00 0.00 H +ATOM 6101 OG1 THR 401 59.940 22.830 36.470 1.00 0.00 O +ATOM 6102 HG1 THR 401 59.488 22.780 35.626 1.00 0.00 H +ATOM 6103 CG2 THR 401 61.660 22.400 34.960 1.00 0.00 C +ATOM 6104 1HG2 THR 401 60.830 22.430 34.220 1.00 0.00 H +ATOM 6105 2HG2 THR 401 62.640 22.760 34.580 1.00 0.00 H +ATOM 6106 3HG2 THR 401 61.700 21.318 35.210 1.00 0.00 H +ATOM 6107 C THR 401 62.140 24.620 38.070 1.00 0.00 C +ATOM 6108 O THR 401 61.820 25.670 37.560 1.00 0.00 O +ATOM 6109 N HIS 402 62.470 24.550 39.360 1.00 0.00 N +ATOM 6110 HN HIS 402 62.750 23.652 39.690 1.00 0.00 H +ATOM 6111 CA HIS 402 62.340 25.620 40.260 1.00 0.00 C +ATOM 6112 HA HIS 402 61.300 25.910 40.310 1.00 0.00 H +ATOM 6113 CB HIS 402 62.960 25.190 41.620 1.00 0.00 C +ATOM 6114 HB1 HIS 402 64.014 24.852 41.520 1.00 0.00 H +ATOM 6115 HB2 HIS 402 62.890 26.080 42.280 1.00 0.00 H +ATOM 6116 ND1 HIS 402 60.910 24.270 42.710 1.00 0.00 N +ATOM 6117 CG HIS 402 62.220 24.110 42.300 1.00 0.00 C +ATOM 6118 CE1 HIS 402 60.480 23.080 43.130 1.00 0.00 C +ATOM 6119 HE1 HIS 402 59.470 22.810 43.440 1.00 0.00 H +ATOM 6120 NE2 HIS 402 61.480 22.140 42.930 1.00 0.00 N +ATOM 6121 HE2 HIS 402 61.370 21.154 43.050 1.00 0.00 H +ATOM 6122 CD2 HIS 402 62.600 22.790 42.510 1.00 0.00 C +ATOM 6123 HD2 HIS 402 63.500 22.260 42.220 1.00 0.00 H +ATOM 6124 C HIS 402 63.090 26.900 39.850 1.00 0.00 C +ATOM 6125 O HIS 402 62.550 28.020 40.010 1.00 0.00 O +ATOM 6126 N ASP 403 64.320 26.890 39.290 1.00 0.00 N +ATOM 6127 HN ASP 403 64.878 26.072 39.180 1.00 0.00 H +ATOM 6128 CA ASP 403 65.130 28.010 38.930 1.00 0.00 C +ATOM 6129 HA ASP 403 65.310 28.650 39.780 1.00 0.00 H +ATOM 6130 CB ASP 403 66.440 27.570 38.210 1.00 0.00 C +ATOM 6131 HB1 ASP 403 66.220 26.732 37.512 1.00 0.00 H +ATOM 6132 HB2 ASP 403 66.930 28.432 37.710 1.00 0.00 H +ATOM 6133 CG ASP 403 67.360 26.890 39.170 1.00 0.00 C +ATOM 6134 OD1 ASP 403 67.130 26.810 40.430 1.00 0.00 O +ATOM 6135 OD2 ASP 403 68.390 26.420 38.720 1.00 0.00 O +ATOM 6136 C ASP 403 64.500 28.960 37.910 1.00 0.00 C +ATOM 6137 O ASP 403 64.690 30.150 38.000 1.00 0.00 O +ATOM 6138 N PHE 404 63.600 28.480 37.120 1.00 0.00 N +ATOM 6139 HN PHE 404 63.278 27.536 37.090 1.00 0.00 H +ATOM 6140 CA PHE 404 62.890 29.320 36.200 1.00 0.00 C +ATOM 6141 HA PHE 404 63.240 30.340 36.130 1.00 0.00 H +ATOM 6142 CB PHE 404 63.140 28.910 34.740 1.00 0.00 C +ATOM 6143 HB1 PHE 404 62.696 29.634 34.026 1.00 0.00 H +ATOM 6144 HB2 PHE 404 64.238 28.960 34.570 1.00 0.00 H +ATOM 6145 CG PHE 404 62.760 27.540 34.360 1.00 0.00 C +ATOM 6146 CD1 PHE 404 63.600 26.390 34.540 1.00 0.00 C +ATOM 6147 HD1 PHE 404 64.474 26.350 35.172 1.00 0.00 H +ATOM 6148 CE1 PHE 404 63.330 25.180 33.900 1.00 0.00 C +ATOM 6149 HE1 PHE 404 63.918 24.302 34.120 1.00 0.00 H +ATOM 6150 CZ PHE 404 62.150 25.070 33.060 1.00 0.00 C +ATOM 6151 HZ PHE 404 61.928 24.136 32.568 1.00 0.00 H +ATOM 6152 CD2 PHE 404 61.600 27.370 33.660 1.00 0.00 C +ATOM 6153 HD2 PHE 404 60.932 28.218 33.670 1.00 0.00 H +ATOM 6154 CE2 PHE 404 61.270 26.140 33.000 1.00 0.00 C +ATOM 6155 HE2 PHE 404 60.392 26.090 32.372 1.00 0.00 H +ATOM 6156 C PHE 404 61.380 29.340 36.440 1.00 0.00 C +ATOM 6157 O PHE 404 60.670 29.920 35.650 1.00 0.00 O +ATOM 6158 N ALA 405 60.900 28.830 37.530 1.00 0.00 N +ATOM 6159 HN ALA 405 61.472 28.368 38.202 1.00 0.00 H +ATOM 6160 CA ALA 405 59.550 28.850 37.950 1.00 0.00 C +ATOM 6161 HA ALA 405 58.982 28.550 37.082 1.00 0.00 H +ATOM 6162 CB ALA 405 59.430 27.770 38.970 1.00 0.00 C +ATOM 6163 HB1 ALA 405 58.382 27.540 39.260 1.00 0.00 H +ATOM 6164 HB2 ALA 405 59.728 26.806 38.502 1.00 0.00 H +ATOM 6165 HB3 ALA 405 60.064 27.992 39.854 1.00 0.00 H +ATOM 6166 C ALA 405 59.010 30.180 38.380 1.00 0.00 C +ATOM 6167 O ALA 405 59.250 30.470 39.510 1.00 0.00 O +ATOM 6168 N MET 406 58.220 30.940 37.540 1.00 0.00 N +ATOM 6169 HN MET 406 58.060 30.650 36.600 1.00 0.00 H +ATOM 6170 CA MET 406 57.930 32.350 37.940 1.00 0.00 C +ATOM 6171 HA MET 406 58.674 32.712 38.634 1.00 0.00 H +ATOM 6172 CB MET 406 57.850 33.240 36.720 1.00 0.00 C +ATOM 6173 HB1 MET 406 57.222 32.790 35.922 1.00 0.00 H +ATOM 6174 HB2 MET 406 57.450 34.250 36.950 1.00 0.00 H +ATOM 6175 CG MET 406 59.250 33.270 35.980 1.00 0.00 C +ATOM 6176 HG1 MET 406 59.380 32.228 35.620 1.00 0.00 H +ATOM 6177 HG2 MET 406 59.220 33.830 35.020 1.00 0.00 H +ATOM 6178 SD MET 406 60.700 33.690 36.870 1.00 0.00 S +ATOM 6179 CE MET 406 60.400 35.410 37.260 1.00 0.00 C +ATOM 6180 HE1 MET 406 60.230 36.090 36.400 1.00 0.00 H +ATOM 6181 HE2 MET 406 59.464 35.520 37.848 1.00 0.00 H +ATOM 6182 HE3 MET 406 61.238 35.868 37.828 1.00 0.00 H +ATOM 6183 C MET 406 56.700 32.340 38.850 1.00 0.00 C +ATOM 6184 O MET 406 55.520 32.510 38.390 1.00 0.00 O +ATOM 6185 N HIS 407 56.980 32.280 40.170 1.00 0.00 N +ATOM 6186 HN HIS 407 57.928 32.180 40.460 1.00 0.00 H +ATOM 6187 CA HIS 407 55.910 32.230 41.110 1.00 0.00 C +ATOM 6188 HA HIS 407 55.152 32.930 40.790 1.00 0.00 H +ATOM 6189 CB HIS 407 55.330 30.800 41.320 1.00 0.00 C +ATOM 6190 HB1 HIS 407 54.248 30.920 41.540 1.00 0.00 H +ATOM 6191 HB2 HIS 407 55.320 30.228 40.368 1.00 0.00 H +ATOM 6192 ND1 HIS 407 55.630 29.810 43.600 1.00 0.00 N +ATOM 6193 CG HIS 407 55.980 29.850 42.290 1.00 0.00 C +ATOM 6194 CE1 HIS 407 56.270 28.830 44.140 1.00 0.00 C +ATOM 6195 HE1 HIS 407 56.320 28.620 45.208 1.00 0.00 H +ATOM 6196 NE2 HIS 407 57.070 28.200 43.180 1.00 0.00 N +ATOM 6197 HE2 HIS 407 57.550 27.332 43.310 1.00 0.00 H +ATOM 6198 CD2 HIS 407 56.800 28.810 41.990 1.00 0.00 C +ATOM 6199 HD2 HIS 407 57.290 28.430 41.102 1.00 0.00 H +ATOM 6200 C HIS 407 56.310 32.730 42.510 1.00 0.00 C +ATOM 6201 O HIS 407 57.460 32.630 43.010 1.00 0.00 O +ATOM 6202 N VAL 408 55.310 33.310 43.180 1.00 0.00 N +ATOM 6203 HN VAL 408 54.370 33.130 42.900 1.00 0.00 H +ATOM 6204 CA VAL 408 55.430 33.600 44.650 1.00 0.00 C +ATOM 6205 HA VAL 408 56.332 33.170 45.060 1.00 0.00 H +ATOM 6206 CB VAL 408 55.480 35.120 44.970 1.00 0.00 C +ATOM 6207 HB VAL 408 54.668 35.652 44.428 1.00 0.00 H +ATOM 6208 CG1 VAL 408 55.390 35.560 46.450 1.00 0.00 C +ATOM 6209 1HG1 VAL 408 54.424 35.238 46.892 1.00 0.00 H +ATOM 6210 2HG1 VAL 408 56.264 35.138 46.992 1.00 0.00 H +ATOM 6211 3HG1 VAL 408 55.540 36.660 46.520 1.00 0.00 H +ATOM 6212 CG2 VAL 408 56.810 35.720 44.410 1.00 0.00 C +ATOM 6213 1HG2 VAL 408 56.910 36.772 44.750 1.00 0.00 H +ATOM 6214 2HG2 VAL 408 57.642 35.230 44.960 1.00 0.00 H +ATOM 6215 3HG2 VAL 408 56.920 35.580 43.314 1.00 0.00 H +ATOM 6216 C VAL 408 54.250 33.020 45.500 1.00 0.00 C +ATOM 6217 O VAL 408 53.120 33.200 45.160 1.00 0.00 O +ATOM 6218 N LYS 409 54.710 32.240 46.500 1.00 0.00 N +ATOM 6219 HN LYS 409 55.698 32.350 46.570 1.00 0.00 H +ATOM 6220 CA LYS 409 53.900 31.440 47.480 1.00 0.00 C +ATOM 6221 HA LYS 409 54.706 31.042 48.078 1.00 0.00 H +ATOM 6222 CB LYS 409 52.950 32.420 48.340 1.00 0.00 C +ATOM 6223 HB1 LYS 409 52.208 32.952 47.708 1.00 0.00 H +ATOM 6224 HB2 LYS 409 52.412 31.644 48.928 1.00 0.00 H +ATOM 6225 CG LYS 409 53.760 33.360 49.220 1.00 0.00 C +ATOM 6226 HG1 LYS 409 54.290 32.630 49.870 1.00 0.00 H +ATOM 6227 HG2 LYS 409 54.562 33.862 48.638 1.00 0.00 H +ATOM 6228 CD LYS 409 52.810 34.380 49.880 1.00 0.00 C +ATOM 6229 HD1 LYS 409 52.538 35.022 49.016 1.00 0.00 H +ATOM 6230 HD2 LYS 409 51.920 33.790 50.190 1.00 0.00 H +ATOM 6231 CE LYS 409 53.410 35.290 51.000 1.00 0.00 C +ATOM 6232 HE1 LYS 409 52.622 35.838 51.558 1.00 0.00 H +ATOM 6233 HE2 LYS 409 54.058 34.632 51.618 1.00 0.00 H +ATOM 6234 NZ LYS 409 54.210 36.280 50.370 1.00 0.00 N +ATOM 6235 HZ1 LYS 409 54.762 36.812 51.072 1.00 0.00 H +ATOM 6236 HZ2 LYS 409 54.828 35.792 49.692 1.00 0.00 H +ATOM 6237 HZ3 LYS 409 53.588 36.972 49.908 1.00 0.00 H +ATOM 6238 C LYS 409 53.170 30.190 46.830 1.00 0.00 C +ATOM 6239 O LYS 409 52.670 29.300 47.560 1.00 0.00 O +ATOM 6240 N GLY 410 53.230 30.020 45.470 1.00 0.00 N +ATOM 6241 HN GLY 410 53.700 30.730 44.950 1.00 0.00 H +ATOM 6242 CA GLY 410 52.470 28.990 44.790 1.00 0.00 C +ATOM 6243 HA1 GLY 410 53.118 28.292 44.282 1.00 0.00 H +ATOM 6244 HA2 GLY 410 51.706 28.524 45.396 1.00 0.00 H +ATOM 6245 C GLY 410 51.610 29.730 43.760 1.00 0.00 C +ATOM 6246 O GLY 410 50.930 29.060 42.970 1.00 0.00 O +ATOM 6247 N LEU 411 51.710 31.060 43.570 1.00 0.00 N +ATOM 6248 HN LEU 411 52.200 31.600 44.250 1.00 0.00 H +ATOM 6249 CA LEU 411 51.000 31.770 42.540 1.00 0.00 C +ATOM 6250 HA LEU 411 50.264 31.206 41.986 1.00 0.00 H +ATOM 6251 CB LEU 411 50.100 32.870 43.090 1.00 0.00 C +ATOM 6252 HB1 LEU 411 49.404 32.432 43.836 1.00 0.00 H +ATOM 6253 HB2 LEU 411 50.724 33.484 43.774 1.00 0.00 H +ATOM 6254 CG LEU 411 49.400 33.800 42.090 1.00 0.00 C +ATOM 6255 HG LEU 411 50.132 34.240 41.380 1.00 0.00 H +ATOM 6256 CD1 LEU 411 48.310 32.900 41.370 1.00 0.00 C +ATOM 6257 1HD1 LEU 411 48.758 32.036 40.834 1.00 0.00 H +ATOM 6258 2HD1 LEU 411 47.638 32.630 42.212 1.00 0.00 H +ATOM 6259 3HD1 LEU 411 47.810 33.612 40.680 1.00 0.00 H +ATOM 6260 CD2 LEU 411 48.790 34.890 42.900 1.00 0.00 C +ATOM 6261 1HD2 LEU 411 49.568 35.300 43.578 1.00 0.00 H +ATOM 6262 2HD2 LEU 411 48.488 35.572 42.078 1.00 0.00 H +ATOM 6263 3HD2 LEU 411 47.850 34.540 43.380 1.00 0.00 H +ATOM 6264 C LEU 411 51.970 32.420 41.570 1.00 0.00 C +ATOM 6265 O LEU 411 52.890 33.070 42.020 1.00 0.00 O +ATOM 6266 N GLU 412 51.780 32.300 40.260 1.00 0.00 N +ATOM 6267 HN GLU 412 51.080 31.620 40.050 1.00 0.00 H +ATOM 6268 CA GLU 412 52.490 32.750 39.170 1.00 0.00 C +ATOM 6269 HA GLU 412 53.488 32.338 39.180 1.00 0.00 H +ATOM 6270 CB GLU 412 51.660 32.330 37.870 1.00 0.00 C +ATOM 6271 HB1 GLU 412 50.646 32.732 38.080 1.00 0.00 H +ATOM 6272 HB2 GLU 412 52.120 32.810 36.980 1.00 0.00 H +ATOM 6273 CG GLU 412 51.580 30.860 37.590 1.00 0.00 C +ATOM 6274 HG1 GLU 412 51.240 30.660 36.552 1.00 0.00 H +ATOM 6275 HG2 GLU 412 52.650 30.560 37.570 1.00 0.00 H +ATOM 6276 CD GLU 412 50.910 29.910 38.590 1.00 0.00 C +ATOM 6277 OE1 GLU 412 51.270 28.680 38.630 1.00 0.00 O +ATOM 6278 OE2 GLU 412 49.980 30.370 39.350 1.00 0.00 O +ATOM 6279 C GLU 412 52.540 34.310 39.120 1.00 0.00 C +ATOM 6280 O GLU 412 51.600 34.980 39.530 1.00 0.00 O +ATOM 6281 N VAL 413 53.690 34.830 38.590 1.00 0.00 N +ATOM 6282 HN VAL 413 54.398 34.210 38.260 1.00 0.00 H +ATOM 6283 CA VAL 413 53.880 36.290 38.470 1.00 0.00 C +ATOM 6284 HA VAL 413 53.608 36.774 39.396 1.00 0.00 H +ATOM 6285 CB VAL 413 55.370 36.680 38.210 1.00 0.00 C +ATOM 6286 HB VAL 413 55.700 36.270 37.232 1.00 0.00 H +ATOM 6287 CG1 VAL 413 55.590 38.230 38.290 1.00 0.00 C +ATOM 6288 1HG1 VAL 413 56.660 38.480 38.120 1.00 0.00 H +ATOM 6289 2HG1 VAL 413 54.952 38.778 37.562 1.00 0.00 H +ATOM 6290 3HG1 VAL 413 55.300 38.560 39.310 1.00 0.00 H +ATOM 6291 CG2 VAL 413 56.190 36.000 39.330 1.00 0.00 C +ATOM 6292 1HG2 VAL 413 55.588 35.558 40.152 1.00 0.00 H +ATOM 6293 2HG2 VAL 413 56.820 35.160 38.970 1.00 0.00 H +ATOM 6294 3HG2 VAL 413 56.940 36.760 39.640 1.00 0.00 H +ATOM 6295 C VAL 413 53.010 36.900 37.450 1.00 0.00 C +ATOM 6296 O VAL 413 52.830 36.410 36.370 1.00 0.00 O +ATOM 6297 N SER 414 52.460 38.130 37.720 1.00 0.00 N +ATOM 6298 HN SER 414 52.560 38.562 38.612 1.00 0.00 H +ATOM 6299 CA SER 414 51.630 38.890 36.790 1.00 0.00 C +ATOM 6300 HA SER 414 51.170 38.170 36.130 1.00 0.00 H +ATOM 6301 CB SER 414 50.480 39.650 37.490 1.00 0.00 C +ATOM 6302 HB1 SER 414 49.642 39.940 36.822 1.00 0.00 H +ATOM 6303 HB2 SER 414 50.022 38.864 38.128 1.00 0.00 H +ATOM 6304 OG SER 414 50.890 40.780 38.250 1.00 0.00 O +ATOM 6305 HG1 SER 414 51.836 40.880 38.120 1.00 0.00 H +ATOM 6306 C SER 414 52.420 39.710 35.850 1.00 0.00 C +ATOM 6307 O SER 414 53.490 39.260 35.360 1.00 0.00 O +ATOM 6308 N GLY 415 51.920 40.870 35.410 1.00 0.00 N +ATOM 6309 HN GLY 415 51.214 41.338 35.938 1.00 0.00 H +ATOM 6310 CA GLY 415 52.310 41.480 34.120 1.00 0.00 C +ATOM 6311 HA1 GLY 415 52.580 40.740 33.380 1.00 0.00 H +ATOM 6312 HA2 GLY 415 51.388 41.982 33.870 1.00 0.00 H +ATOM 6313 C GLY 415 53.440 42.420 34.180 1.00 0.00 C +ATOM 6314 O GLY 415 53.650 43.330 33.360 1.00 0.00 O +ATOM 6315 N TYR 416 54.300 42.200 35.170 1.00 0.00 N +ATOM 6316 HN TYR 416 54.150 41.528 35.892 1.00 0.00 H +ATOM 6317 CA TYR 416 55.470 43.060 35.330 1.00 0.00 C +ATOM 6318 HA TYR 416 55.620 43.530 34.370 1.00 0.00 H +ATOM 6319 CB TYR 416 55.240 44.280 36.420 1.00 0.00 C +ATOM 6320 HB1 TYR 416 55.170 43.900 37.462 1.00 0.00 H +ATOM 6321 HB2 TYR 416 56.074 45.014 36.420 1.00 0.00 H +ATOM 6322 CG TYR 416 53.870 44.970 36.110 1.00 0.00 C +ATOM 6323 CD1 TYR 416 53.970 46.010 35.220 1.00 0.00 C +ATOM 6324 HD1 TYR 416 54.948 46.220 34.812 1.00 0.00 H +ATOM 6325 CE1 TYR 416 52.770 46.430 34.540 1.00 0.00 C +ATOM 6326 HE1 TYR 416 52.780 47.088 33.684 1.00 0.00 H +ATOM 6327 CZ TYR 416 51.540 46.020 35.030 1.00 0.00 C +ATOM 6328 OH TYR 416 50.330 46.540 34.500 1.00 0.00 O +ATOM 6329 HH TYR 416 49.658 45.858 34.560 1.00 0.00 H +ATOM 6330 CD2 TYR 416 52.590 44.490 36.580 1.00 0.00 C +ATOM 6331 HD2 TYR 416 52.580 43.692 37.308 1.00 0.00 H +ATOM 6332 CE2 TYR 416 51.440 45.060 36.070 1.00 0.00 C +ATOM 6333 HE2 TYR 416 50.524 44.668 36.482 1.00 0.00 H +ATOM 6334 C TYR 416 56.760 42.340 35.580 1.00 0.00 C +ATOM 6335 O TYR 416 56.750 41.550 36.510 1.00 0.00 O +ATOM 6336 N ASN 417 57.840 42.560 34.690 1.00 0.00 N +ATOM 6337 HN ASN 417 57.790 43.190 33.920 1.00 0.00 H +ATOM 6338 CA ASN 417 59.130 41.870 34.950 1.00 0.00 C +ATOM 6339 HA ASN 417 58.882 40.988 35.524 1.00 0.00 H +ATOM 6340 CB ASN 417 59.720 41.470 33.580 1.00 0.00 C +ATOM 6341 HB1 ASN 417 58.910 40.870 33.110 1.00 0.00 H +ATOM 6342 HB2 ASN 417 59.890 42.348 32.922 1.00 0.00 H +ATOM 6343 CG ASN 417 60.940 40.600 33.660 1.00 0.00 C +ATOM 6344 OD1 ASN 417 61.340 40.180 34.770 1.00 0.00 O +ATOM 6345 ND2 ASN 417 61.610 40.380 32.520 1.00 0.00 N +ATOM 6346 1HD2 ASN 417 61.252 40.688 31.638 1.00 0.00 H +ATOM 6347 2HD2 ASN 417 62.496 39.922 32.580 1.00 0.00 H +ATOM 6348 C ASN 417 60.130 42.660 35.810 1.00 0.00 C +ATOM 6349 O ASN 417 60.400 43.780 35.460 1.00 0.00 O +ATOM 6350 N CYS 418 60.550 42.250 36.990 1.00 0.00 N +ATOM 6351 HN CYS 418 60.470 41.320 37.340 1.00 0.00 H +ATOM 6352 CA CYS 418 61.120 43.170 37.960 1.00 0.00 C +ATOM 6353 HA CYS 418 61.020 44.206 37.672 1.00 0.00 H +ATOM 6354 CB CYS 418 60.370 43.100 39.260 1.00 0.00 C +ATOM 6355 HB1 CYS 418 60.440 42.044 39.592 1.00 0.00 H +ATOM 6356 HB2 CYS 418 60.828 43.826 39.966 1.00 0.00 H +ATOM 6357 SG CYS 418 58.560 43.540 39.200 1.00 0.00 S +ATOM 6358 HG1 CYS 418 58.840 44.730 38.690 1.00 0.00 H +ATOM 6359 C CYS 418 62.580 43.020 38.190 1.00 0.00 C +ATOM 6360 O CYS 418 63.110 43.320 39.270 1.00 0.00 O +ATOM 6361 N TYR 419 63.290 42.550 37.200 1.00 0.00 N +ATOM 6362 HN TYR 419 62.790 42.320 36.370 1.00 0.00 H +ATOM 6363 CA TYR 419 64.730 42.370 37.100 1.00 0.00 C +ATOM 6364 HA TYR 419 65.152 41.514 37.604 1.00 0.00 H +ATOM 6365 CB TYR 419 65.260 42.220 35.630 1.00 0.00 C +ATOM 6366 HB1 TYR 419 64.770 42.910 34.910 1.00 0.00 H +ATOM 6367 HB2 TYR 419 66.344 42.468 35.600 1.00 0.00 H +ATOM 6368 CG TYR 419 65.170 40.850 35.130 1.00 0.00 C +ATOM 6369 CD1 TYR 419 65.790 39.800 35.790 1.00 0.00 C +ATOM 6370 HD1 TYR 419 66.170 39.850 36.800 1.00 0.00 H +ATOM 6371 CE1 TYR 419 65.770 38.470 35.210 1.00 0.00 C +ATOM 6372 HE1 TYR 419 66.222 37.676 35.784 1.00 0.00 H +ATOM 6373 CZ TYR 419 65.330 38.310 33.880 1.00 0.00 C +ATOM 6374 OH TYR 419 65.630 37.040 33.240 1.00 0.00 O +ATOM 6375 HH TYR 419 65.650 37.220 32.298 1.00 0.00 H +ATOM 6376 CD2 TYR 419 64.590 40.640 33.860 1.00 0.00 C +ATOM 6377 HD2 TYR 419 64.160 41.532 33.430 1.00 0.00 H +ATOM 6378 CE2 TYR 419 64.630 39.410 33.290 1.00 0.00 C +ATOM 6379 HE2 TYR 419 64.200 39.280 32.308 1.00 0.00 H +ATOM 6380 C TYR 419 65.510 43.480 37.730 1.00 0.00 C +ATOM 6381 O TYR 419 66.360 43.210 38.560 1.00 0.00 O +ATOM 6382 N ILE 420 65.200 44.740 37.350 1.00 0.00 N +ATOM 6383 HN ILE 420 64.448 44.950 36.730 1.00 0.00 H +ATOM 6384 CA ILE 420 65.940 45.910 37.860 1.00 0.00 C +ATOM 6385 HA ILE 420 66.832 45.600 38.382 1.00 0.00 H +ATOM 6386 CB ILE 420 66.370 46.750 36.640 1.00 0.00 C +ATOM 6387 HB ILE 420 66.982 47.612 36.980 1.00 0.00 H +ATOM 6388 CG2 ILE 420 67.340 45.900 35.830 1.00 0.00 C +ATOM 6389 1HG2 ILE 420 67.862 46.452 35.018 1.00 0.00 H +ATOM 6390 2HG2 ILE 420 68.168 45.462 36.428 1.00 0.00 H +ATOM 6391 3HG2 ILE 420 66.898 44.986 35.378 1.00 0.00 H +ATOM 6392 CG1 ILE 420 65.160 47.320 35.800 1.00 0.00 C +ATOM 6393 1HG1 ILE 420 64.550 46.520 35.330 1.00 0.00 H +ATOM 6394 2HG1 ILE 420 64.592 47.948 36.518 1.00 0.00 H +ATOM 6395 CD ILE 420 65.690 48.340 34.780 1.00 0.00 C +ATOM 6396 HD1 ILE 420 66.300 47.790 34.030 1.00 0.00 H +ATOM 6397 HD2 ILE 420 64.808 48.770 34.260 1.00 0.00 H +ATOM 6398 HD3 ILE 420 66.220 49.200 35.240 1.00 0.00 H +ATOM 6399 C ILE 420 65.100 46.670 38.880 1.00 0.00 C +ATOM 6400 O ILE 420 65.460 47.760 39.260 1.00 0.00 O +ATOM 6401 N TYR 421 63.970 46.160 39.380 1.00 0.00 N +ATOM 6402 HN TYR 421 63.632 45.234 39.230 1.00 0.00 H +ATOM 6403 CA TYR 421 62.970 46.980 40.080 1.00 0.00 C +ATOM 6404 HA TYR 421 63.290 48.002 40.210 1.00 0.00 H +ATOM 6405 CB TYR 421 61.640 47.010 39.220 1.00 0.00 C +ATOM 6406 HB1 TYR 421 61.460 45.936 39.000 1.00 0.00 H +ATOM 6407 HB2 TYR 421 60.900 47.440 39.930 1.00 0.00 H +ATOM 6408 CG TYR 421 61.800 47.780 37.970 1.00 0.00 C +ATOM 6409 CD1 TYR 421 62.170 49.080 38.030 1.00 0.00 C +ATOM 6410 HD1 TYR 421 62.260 49.654 38.942 1.00 0.00 H +ATOM 6411 CE1 TYR 421 62.390 49.880 36.840 1.00 0.00 C +ATOM 6412 HE1 TYR 421 62.540 50.944 36.940 1.00 0.00 H +ATOM 6413 CZ TYR 421 62.180 49.290 35.570 1.00 0.00 C +ATOM 6414 OH TYR 421 62.180 50.030 34.380 1.00 0.00 O +ATOM 6415 HH TYR 421 62.240 49.438 33.628 1.00 0.00 H +ATOM 6416 CD2 TYR 421 61.760 47.150 36.700 1.00 0.00 C +ATOM 6417 HD2 TYR 421 61.400 46.152 36.500 1.00 0.00 H +ATOM 6418 CE2 TYR 421 61.920 47.920 35.540 1.00 0.00 C +ATOM 6419 HE2 TYR 421 61.940 47.578 34.516 1.00 0.00 H +ATOM 6420 C TYR 421 62.680 46.430 41.490 1.00 0.00 C +ATOM 6421 O TYR 421 61.770 45.540 41.600 1.00 0.00 O +ATOM 6422 N PRO 422 63.310 46.930 42.560 1.00 0.00 N +ATOM 6423 CD PRO 422 64.410 47.800 42.450 1.00 0.00 C +ATOM 6424 HD1 PRO 422 64.100 48.862 42.540 1.00 0.00 H +ATOM 6425 HD2 PRO 422 64.954 47.770 41.482 1.00 0.00 H +ATOM 6426 CA PRO 422 63.260 46.370 43.880 1.00 0.00 C +ATOM 6427 HA PRO 422 63.330 45.294 43.830 1.00 0.00 H +ATOM 6428 CB PRO 422 64.400 47.080 44.650 1.00 0.00 C +ATOM 6429 HB1 PRO 422 64.080 48.008 45.170 1.00 0.00 H +ATOM 6430 HB2 PRO 422 64.832 46.398 45.412 1.00 0.00 H +ATOM 6431 CG PRO 422 65.360 47.430 43.540 1.00 0.00 C +ATOM 6432 HG1 PRO 422 65.954 48.256 43.984 1.00 0.00 H +ATOM 6433 HG2 PRO 422 65.920 46.540 43.180 1.00 0.00 H +ATOM 6434 C PRO 422 61.880 46.580 44.590 1.00 0.00 C +ATOM 6435 O PRO 422 61.450 45.660 45.300 1.00 0.00 O +ATOM 6436 N ALA 423 61.190 47.740 44.430 1.00 0.00 N +ATOM 6437 HN ALA 423 61.490 48.470 43.820 1.00 0.00 H +ATOM 6438 CA ALA 423 59.860 48.030 45.030 1.00 0.00 C +ATOM 6439 HA ALA 423 59.940 47.850 46.092 1.00 0.00 H +ATOM 6440 CB ALA 423 59.540 49.520 44.840 1.00 0.00 C +ATOM 6441 HB1 ALA 423 58.658 49.760 45.472 1.00 0.00 H +ATOM 6442 HB2 ALA 423 60.362 50.202 45.142 1.00 0.00 H +ATOM 6443 HB3 ALA 423 59.430 49.790 43.768 1.00 0.00 H +ATOM 6444 C ALA 423 58.750 47.150 44.420 1.00 0.00 C +ATOM 6445 O ALA 423 58.030 46.520 45.160 1.00 0.00 O +ATOM 6446 N MET 424 58.770 46.980 43.070 1.00 0.00 N +ATOM 6447 HN MET 424 59.460 47.470 42.540 1.00 0.00 H +ATOM 6448 CA MET 424 57.820 46.120 42.430 1.00 0.00 C +ATOM 6449 HA MET 424 56.906 46.360 42.952 1.00 0.00 H +ATOM 6450 CB MET 424 57.490 46.430 40.960 1.00 0.00 C +ATOM 6451 HB1 MET 424 57.180 47.496 40.920 1.00 0.00 H +ATOM 6452 HB2 MET 424 58.486 46.230 40.512 1.00 0.00 H +ATOM 6453 CG MET 424 56.340 45.570 40.370 1.00 0.00 C +ATOM 6454 HG1 MET 424 56.450 45.520 39.266 1.00 0.00 H +ATOM 6455 HG2 MET 424 56.440 44.510 40.690 1.00 0.00 H +ATOM 6456 SD MET 424 54.720 46.340 40.800 1.00 0.00 S +ATOM 6457 CE MET 424 53.850 44.830 40.450 1.00 0.00 C +ATOM 6458 HE1 MET 424 53.840 44.670 39.350 1.00 0.00 H +ATOM 6459 HE2 MET 424 54.380 43.980 40.930 1.00 0.00 H +ATOM 6460 HE3 MET 424 52.830 44.910 40.880 1.00 0.00 H +ATOM 6461 C MET 424 58.070 44.620 42.710 1.00 0.00 C +ATOM 6462 O MET 424 57.110 43.840 42.980 1.00 0.00 O +ATOM 6463 N ALA 425 59.360 44.250 42.850 1.00 0.00 N +ATOM 6464 HN ALA 425 60.120 44.860 42.640 1.00 0.00 H +ATOM 6465 CA ALA 425 59.730 42.950 43.430 1.00 0.00 C +ATOM 6466 HA ALA 425 59.220 42.202 42.842 1.00 0.00 H +ATOM 6467 CB ALA 425 61.210 42.740 43.210 1.00 0.00 C +ATOM 6468 HB1 ALA 425 61.480 43.110 42.198 1.00 0.00 H +ATOM 6469 HB2 ALA 425 61.692 43.402 43.962 1.00 0.00 H +ATOM 6470 HB3 ALA 425 61.580 41.708 43.390 1.00 0.00 H +ATOM 6471 C ALA 425 59.300 42.670 44.850 1.00 0.00 C +ATOM 6472 O ALA 425 59.060 41.520 45.230 1.00 0.00 O +ATOM 6473 N LEU 426 59.240 43.700 45.740 1.00 0.00 N +ATOM 6474 HN LEU 426 59.610 44.592 45.490 1.00 0.00 H +ATOM 6475 CA LEU 426 58.710 43.580 47.100 1.00 0.00 C +ATOM 6476 HA LEU 426 59.216 42.746 47.566 1.00 0.00 H +ATOM 6477 CB LEU 426 59.180 44.870 47.780 1.00 0.00 C +ATOM 6478 HB1 LEU 426 60.274 44.950 47.600 1.00 0.00 H +ATOM 6479 HB2 LEU 426 58.710 45.770 47.330 1.00 0.00 H +ATOM 6480 CG LEU 426 59.040 44.930 49.330 1.00 0.00 C +ATOM 6481 HG LEU 426 58.096 44.488 49.712 1.00 0.00 H +ATOM 6482 CD1 LEU 426 60.110 44.090 50.050 1.00 0.00 C +ATOM 6483 1HD1 LEU 426 60.270 43.072 49.632 1.00 0.00 H +ATOM 6484 2HD1 LEU 426 61.134 44.522 50.070 1.00 0.00 H +ATOM 6485 3HD1 LEU 426 59.898 43.928 51.128 1.00 0.00 H +ATOM 6486 CD2 LEU 426 59.270 46.400 49.790 1.00 0.00 C +ATOM 6487 1HD2 LEU 426 58.352 47.010 49.650 1.00 0.00 H +ATOM 6488 2HD2 LEU 426 59.610 46.350 50.848 1.00 0.00 H +ATOM 6489 3HD2 LEU 426 60.082 46.910 49.230 1.00 0.00 H +ATOM 6490 C LEU 426 57.170 43.560 47.200 1.00 0.00 C +ATOM 6491 O LEU 426 56.550 43.000 48.130 1.00 0.00 O +ATOM 6492 N ALA 427 56.600 44.350 46.320 1.00 0.00 N +ATOM 6493 HN ALA 427 57.210 44.970 45.830 1.00 0.00 H +ATOM 6494 CA ALA 427 55.170 44.370 46.070 1.00 0.00 C +ATOM 6495 HA ALA 427 54.628 44.702 46.944 1.00 0.00 H +ATOM 6496 CB ALA 427 54.820 45.360 45.020 1.00 0.00 C +ATOM 6497 HB1 ALA 427 53.800 45.230 44.600 1.00 0.00 H +ATOM 6498 HB2 ALA 427 54.950 46.424 45.312 1.00 0.00 H +ATOM 6499 HB3 ALA 427 55.400 45.070 44.118 1.00 0.00 H +ATOM 6500 C ALA 427 54.630 42.980 45.650 1.00 0.00 C +ATOM 6501 O ALA 427 53.610 42.560 46.210 1.00 0.00 O +ATOM 6502 N TYR 428 55.280 42.240 44.710 1.00 0.00 N +ATOM 6503 HN TYR 428 56.006 42.708 44.212 1.00 0.00 H +ATOM 6504 CA TYR 428 55.090 40.820 44.460 1.00 0.00 C +ATOM 6505 HA TYR 428 54.020 40.710 44.360 1.00 0.00 H +ATOM 6506 CB TYR 428 55.910 40.110 43.280 1.00 0.00 C +ATOM 6507 HB1 TYR 428 56.924 40.562 43.270 1.00 0.00 H +ATOM 6508 HB2 TYR 428 55.750 39.010 43.290 1.00 0.00 H +ATOM 6509 CG TYR 428 55.240 40.610 42.020 1.00 0.00 C +ATOM 6510 CD1 TYR 428 53.870 40.720 41.770 1.00 0.00 C +ATOM 6511 HD1 TYR 428 53.122 40.580 42.538 1.00 0.00 H +ATOM 6512 CE1 TYR 428 53.430 41.050 40.470 1.00 0.00 C +ATOM 6513 HE1 TYR 428 52.356 41.010 40.360 1.00 0.00 H +ATOM 6514 CZ TYR 428 54.250 41.280 39.400 1.00 0.00 C +ATOM 6515 OH TYR 428 53.780 41.530 38.090 1.00 0.00 O +ATOM 6516 HH TYR 428 54.642 41.698 37.704 1.00 0.00 H +ATOM 6517 CD2 TYR 428 56.120 41.040 40.990 1.00 0.00 C +ATOM 6518 HD2 TYR 428 57.172 41.220 41.150 1.00 0.00 H +ATOM 6519 CE2 TYR 428 55.620 41.420 39.710 1.00 0.00 C +ATOM 6520 HE2 TYR 428 56.360 41.780 39.010 1.00 0.00 H +ATOM 6521 C TYR 428 55.390 40.000 45.680 1.00 0.00 C +ATOM 6522 O TYR 428 54.700 39.050 46.050 1.00 0.00 O +ATOM 6523 N GLY 429 56.590 40.320 46.290 1.00 0.00 N +ATOM 6524 HN GLY 429 57.110 41.140 46.060 1.00 0.00 H +ATOM 6525 CA GLY 429 57.030 39.520 47.440 1.00 0.00 C +ATOM 6526 HA1 GLY 429 57.260 38.500 47.170 1.00 0.00 H +ATOM 6527 HA2 GLY 429 58.004 39.902 47.710 1.00 0.00 H +ATOM 6528 C GLY 429 56.130 39.430 48.610 1.00 0.00 C +ATOM 6529 O GLY 429 55.590 38.420 48.930 1.00 0.00 O +ATOM 6530 N THR 430 55.830 40.590 49.120 1.00 0.00 N +ATOM 6531 HN THR 430 56.320 41.340 48.680 1.00 0.00 H +ATOM 6532 CA THR 430 55.170 40.780 50.410 1.00 0.00 C +ATOM 6533 HA THR 430 55.350 40.008 51.142 1.00 0.00 H +ATOM 6534 CB THR 430 55.600 42.110 51.080 1.00 0.00 C +ATOM 6535 HB THR 430 55.330 42.240 52.150 1.00 0.00 H +ATOM 6536 OG1 THR 430 55.170 43.270 50.380 1.00 0.00 O +ATOM 6537 HG1 THR 430 55.700 43.240 49.580 1.00 0.00 H +ATOM 6538 CG2 THR 430 57.150 42.290 51.230 1.00 0.00 C +ATOM 6539 1HG2 THR 430 57.460 43.252 51.690 1.00 0.00 H +ATOM 6540 2HG2 THR 430 57.502 41.406 51.802 1.00 0.00 H +ATOM 6541 3HG2 THR 430 57.598 42.270 50.214 1.00 0.00 H +ATOM 6542 C THR 430 53.670 40.940 50.080 1.00 0.00 C +ATOM 6543 O THR 430 52.860 41.090 50.960 1.00 0.00 O +ATOM 6544 N SER 431 53.160 40.870 48.850 1.00 0.00 N +ATOM 6545 HN SER 431 53.846 40.672 48.154 1.00 0.00 H +ATOM 6546 CA SER 431 51.740 40.500 48.610 1.00 0.00 C +ATOM 6547 HA SER 431 51.198 41.384 48.912 1.00 0.00 H +ATOM 6548 CB SER 431 51.500 40.340 47.070 1.00 0.00 C +ATOM 6549 HB1 SER 431 51.620 41.244 46.436 1.00 0.00 H +ATOM 6550 HB2 SER 431 52.308 39.622 46.810 1.00 0.00 H +ATOM 6551 OG SER 431 50.280 39.720 46.630 1.00 0.00 O +ATOM 6552 HG1 SER 431 50.470 38.906 46.158 1.00 0.00 H +ATOM 6553 C SER 431 51.130 39.340 49.340 1.00 0.00 C +ATOM 6554 O SER 431 51.790 38.360 49.680 1.00 0.00 O +ATOM 6555 N ALA 432 49.810 39.470 49.690 1.00 0.00 N +ATOM 6556 HN ALA 432 49.262 40.236 49.362 1.00 0.00 H +ATOM 6557 CA ALA 432 49.040 38.610 50.580 1.00 0.00 C +ATOM 6558 HA ALA 432 49.740 38.160 51.270 1.00 0.00 H +ATOM 6559 CB ALA 432 48.060 39.380 51.550 1.00 0.00 C +ATOM 6560 HB1 ALA 432 47.330 40.020 51.010 1.00 0.00 H +ATOM 6561 HB2 ALA 432 47.538 38.598 52.142 1.00 0.00 H +ATOM 6562 HB3 ALA 432 48.642 39.982 52.282 1.00 0.00 H +ATOM 6563 C ALA 432 48.370 37.460 49.830 1.00 0.00 C +ATOM 6564 O ALA 432 48.080 36.430 50.440 1.00 0.00 O +ATOM 6565 N ILE 433 48.200 37.560 48.490 1.00 0.00 N +ATOM 6566 HN ILE 433 48.390 38.466 48.122 1.00 0.00 H +ATOM 6567 CA ILE 433 47.670 36.590 47.550 1.00 0.00 C +ATOM 6568 HA ILE 433 47.650 35.632 48.048 1.00 0.00 H +ATOM 6569 CB ILE 433 46.270 36.930 47.100 1.00 0.00 C +ATOM 6570 HB ILE 433 46.002 36.262 46.254 1.00 0.00 H +ATOM 6571 CG2 ILE 433 45.320 36.690 48.320 1.00 0.00 C +ATOM 6572 1HG2 ILE 433 44.278 36.830 47.960 1.00 0.00 H +ATOM 6573 2HG2 ILE 433 45.350 35.668 48.752 1.00 0.00 H +ATOM 6574 3HG2 ILE 433 45.430 37.394 49.174 1.00 0.00 H +ATOM 6575 CG1 ILE 433 46.140 38.360 46.600 1.00 0.00 C +ATOM 6576 1HG1 ILE 433 46.170 38.942 47.544 1.00 0.00 H +ATOM 6577 2HG1 ILE 433 46.988 38.570 45.912 1.00 0.00 H +ATOM 6578 CD ILE 433 44.820 38.610 45.880 1.00 0.00 C +ATOM 6579 HD1 ILE 433 44.750 39.702 45.690 1.00 0.00 H +ATOM 6580 HD2 ILE 433 44.648 37.976 44.984 1.00 0.00 H +ATOM 6581 HD3 ILE 433 43.920 38.310 46.460 1.00 0.00 H +ATOM 6582 C ILE 433 48.720 36.470 46.430 1.00 0.00 C +ATOM 6583 O ILE 433 48.330 36.710 45.300 1.00 0.00 O +ATOM 6584 N GLY 434 49.940 36.040 46.790 1.00 0.00 N +ATOM 6585 HN GLY 434 50.040 35.840 47.762 1.00 0.00 H +ATOM 6586 CA GLY 434 51.000 35.720 45.830 1.00 0.00 C +ATOM 6587 HA1 GLY 434 51.878 35.380 46.360 1.00 0.00 H +ATOM 6588 HA2 GLY 434 50.670 34.870 45.250 1.00 0.00 H +ATOM 6589 C GLY 434 51.440 36.790 44.870 1.00 0.00 C +ATOM 6590 O GLY 434 51.250 37.970 45.040 1.00 0.00 O +ATOM 6591 N ALA 435 52.140 36.330 43.770 1.00 0.00 N +ATOM 6592 HN ALA 435 52.310 35.348 43.750 1.00 0.00 H +ATOM 6593 CA ALA 435 52.740 37.260 42.800 1.00 0.00 C +ATOM 6594 HA ALA 435 53.348 37.978 43.328 1.00 0.00 H +ATOM 6595 CB ALA 435 53.780 36.640 41.900 1.00 0.00 C +ATOM 6596 HB1 ALA 435 54.198 37.316 41.124 1.00 0.00 H +ATOM 6597 HB2 ALA 435 54.678 36.448 42.526 1.00 0.00 H +ATOM 6598 HB3 ALA 435 53.430 35.728 41.370 1.00 0.00 H +ATOM 6599 C ALA 435 51.710 37.950 41.830 1.00 0.00 C +ATOM 6600 O ALA 435 51.670 37.710 40.600 1.00 0.00 O +ATOM 6601 N HIS 436 50.940 38.850 42.470 1.00 0.00 N +ATOM 6602 HN HIS 436 51.000 38.880 43.466 1.00 0.00 H +ATOM 6603 CA HIS 436 49.890 39.550 41.880 1.00 0.00 C +ATOM 6604 HA HIS 436 49.990 39.500 40.806 1.00 0.00 H +ATOM 6605 CB HIS 436 48.420 39.080 42.180 1.00 0.00 C +ATOM 6606 HB1 HIS 436 48.480 37.992 41.960 1.00 0.00 H +ATOM 6607 HB2 HIS 436 48.240 39.110 43.276 1.00 0.00 H +ATOM 6608 ND1 HIS 436 47.590 39.830 39.920 1.00 0.00 N +ATOM 6609 CG HIS 436 47.290 39.600 41.270 1.00 0.00 C +ATOM 6610 CE1 HIS 436 46.450 40.090 39.340 1.00 0.00 C +ATOM 6611 HE1 HIS 436 46.410 40.428 38.304 1.00 0.00 H +ATOM 6612 NE2 HIS 436 45.450 40.150 40.230 1.00 0.00 N +ATOM 6613 HE2 HIS 436 44.514 40.180 39.882 1.00 0.00 H +ATOM 6614 CD2 HIS 436 45.950 39.810 41.480 1.00 0.00 C +ATOM 6615 HD2 HIS 436 45.328 39.660 42.354 1.00 0.00 H +ATOM 6616 C HIS 436 50.080 41.050 42.020 1.00 0.00 C +ATOM 6617 O HIS 436 50.790 41.460 42.930 1.00 0.00 O +ATOM 6618 N HIS 437 49.530 41.910 41.140 1.00 0.00 N +ATOM 6619 HN HIS 437 48.966 41.608 40.376 1.00 0.00 H +ATOM 6620 CA HIS 437 49.840 43.280 41.100 1.00 0.00 C +ATOM 6621 HA HIS 437 50.766 43.488 41.618 1.00 0.00 H +ATOM 6622 CB HIS 437 50.000 43.710 39.610 1.00 0.00 C +ATOM 6623 HB1 HIS 437 50.488 44.706 39.660 1.00 0.00 H +ATOM 6624 HB2 HIS 437 50.668 43.012 39.062 1.00 0.00 H +ATOM 6625 ND1 HIS 437 48.060 43.010 38.110 1.00 0.00 N +ATOM 6626 HD1 HIS 437 48.568 42.302 37.620 1.00 0.00 H +ATOM 6627 CG HIS 437 48.680 43.890 38.970 1.00 0.00 C +ATOM 6628 CE1 HIS 437 46.790 43.530 37.950 1.00 0.00 C +ATOM 6629 HE1 HIS 437 46.192 43.150 37.122 1.00 0.00 H +ATOM 6630 NE2 HIS 437 46.600 44.620 38.660 1.00 0.00 N +ATOM 6631 CD2 HIS 437 47.750 44.840 39.320 1.00 0.00 C +ATOM 6632 HD2 HIS 437 48.010 45.790 39.770 1.00 0.00 H +ATOM 6633 C HIS 437 48.820 44.110 41.790 1.00 0.00 C +ATOM 6634 O HIS 437 48.970 45.340 41.920 1.00 0.00 O +ATOM 6635 N LYS 438 47.660 43.470 42.220 1.00 0.00 N +ATOM 6636 HN LYS 438 47.650 42.474 42.190 1.00 0.00 H +ATOM 6637 CA LYS 438 46.520 44.160 42.760 1.00 0.00 C +ATOM 6638 HA LYS 438 46.070 44.870 42.080 1.00 0.00 H +ATOM 6639 CB LYS 438 45.320 43.200 43.090 1.00 0.00 C +ATOM 6640 HB1 LYS 438 44.960 42.940 42.072 1.00 0.00 H +ATOM 6641 HB2 LYS 438 45.782 42.356 43.644 1.00 0.00 H +ATOM 6642 CG LYS 438 44.260 43.850 44.030 1.00 0.00 C +ATOM 6643 HG1 LYS 438 44.632 43.700 45.066 1.00 0.00 H +ATOM 6644 HG2 LYS 438 43.990 44.888 43.740 1.00 0.00 H +ATOM 6645 CD LYS 438 42.950 43.120 43.970 1.00 0.00 C +ATOM 6646 HD1 LYS 438 42.192 43.848 44.330 1.00 0.00 H +ATOM 6647 HD2 LYS 438 42.650 42.870 42.930 1.00 0.00 H +ATOM 6648 CE LYS 438 42.940 41.790 44.860 1.00 0.00 C +ATOM 6649 HE1 LYS 438 43.562 41.128 44.218 1.00 0.00 H +ATOM 6650 HE2 LYS 438 43.530 41.940 45.790 1.00 0.00 H +ATOM 6651 NZ LYS 438 41.570 41.150 44.980 1.00 0.00 N +ATOM 6652 HZ1 LYS 438 41.650 40.418 45.712 1.00 0.00 H +ATOM 6653 HZ2 LYS 438 40.852 41.868 45.200 1.00 0.00 H +ATOM 6654 HZ3 LYS 438 41.380 40.660 44.082 1.00 0.00 H +ATOM 6655 C LYS 438 46.870 45.000 43.970 1.00 0.00 C +ATOM 6656 O LYS 438 46.510 46.180 44.000 1.00 0.00 O +ATOM 6657 N GLU 439 47.600 44.460 44.930 1.00 0.00 N +ATOM 6658 HN GLU 439 47.770 43.478 44.910 1.00 0.00 H +ATOM 6659 CA GLU 439 47.920 45.090 46.170 1.00 0.00 C +ATOM 6660 HA GLU 439 47.038 45.592 46.540 1.00 0.00 H +ATOM 6661 CB GLU 439 48.370 43.940 47.110 1.00 0.00 C +ATOM 6662 HB1 GLU 439 49.212 43.350 46.690 1.00 0.00 H +ATOM 6663 HB2 GLU 439 48.790 44.360 48.050 1.00 0.00 H +ATOM 6664 CG GLU 439 47.130 43.070 47.360 1.00 0.00 C +ATOM 6665 HG1 GLU 439 46.276 43.606 47.826 1.00 0.00 H +ATOM 6666 HG2 GLU 439 46.738 42.658 46.406 1.00 0.00 H +ATOM 6667 CD GLU 439 47.410 41.940 48.340 1.00 0.00 C +ATOM 6668 OE1 GLU 439 46.460 41.130 48.550 1.00 0.00 O +ATOM 6669 OE2 GLU 439 48.500 41.840 49.000 1.00 0.00 O +ATOM 6670 C GLU 439 48.900 46.210 46.220 1.00 0.00 C +ATOM 6671 O GLU 439 48.840 47.010 47.100 1.00 0.00 O +ATOM 6672 N ALA 440 49.850 46.300 45.250 1.00 0.00 N +ATOM 6673 HN ALA 440 49.970 45.576 44.576 1.00 0.00 H +ATOM 6674 CA ALA 440 50.870 47.230 45.250 1.00 0.00 C +ATOM 6675 HA ALA 440 50.340 48.140 45.490 1.00 0.00 H +ATOM 6676 CB ALA 440 51.940 46.870 46.380 1.00 0.00 C +ATOM 6677 HB1 ALA 440 52.422 45.894 46.158 1.00 0.00 H +ATOM 6678 HB2 ALA 440 52.730 47.640 46.500 1.00 0.00 H +ATOM 6679 HB3 ALA 440 51.330 46.880 47.310 1.00 0.00 H +ATOM 6680 C ALA 440 51.560 47.370 43.870 1.00 0.00 C +ATOM 6681 O ALA 440 52.750 47.090 43.760 1.00 0.00 O +ATOM 6682 N TRP 441 50.880 47.980 42.890 1.00 0.00 N +ATOM 6683 HN TRP 441 49.972 48.390 42.910 1.00 0.00 H +ATOM 6684 CA TRP 441 51.630 48.280 41.690 1.00 0.00 C +ATOM 6685 HA TRP 441 52.322 47.468 41.530 1.00 0.00 H +ATOM 6686 CB TRP 441 50.640 48.250 40.510 1.00 0.00 C +ATOM 6687 HB1 TRP 441 50.132 47.264 40.590 1.00 0.00 H +ATOM 6688 HB2 TRP 441 49.790 48.880 40.850 1.00 0.00 H +ATOM 6689 CG TRP 441 51.050 48.680 39.140 1.00 0.00 C +ATOM 6690 CD1 TRP 441 51.400 47.730 38.230 1.00 0.00 C +ATOM 6691 HD1 TRP 441 51.440 46.682 38.490 1.00 0.00 H +ATOM 6692 NE1 TRP 441 51.460 48.300 36.910 1.00 0.00 N +ATOM 6693 HE1 TRP 441 51.560 47.800 36.078 1.00 0.00 H +ATOM 6694 CE2 TRP 441 51.080 49.580 37.010 1.00 0.00 C +ATOM 6695 CD2 TRP 441 50.800 49.850 38.360 1.00 0.00 C +ATOM 6696 CE3 TRP 441 50.320 51.170 38.720 1.00 0.00 C +ATOM 6697 HE3 TRP 441 50.170 51.480 39.744 1.00 0.00 H +ATOM 6698 CZ3 TRP 441 50.280 52.170 37.760 1.00 0.00 C +ATOM 6699 HZ3 TRP 441 50.100 53.210 37.990 1.00 0.00 H +ATOM 6700 CZ2 TRP 441 51.010 50.550 36.010 1.00 0.00 C +ATOM 6701 HZ2 TRP 441 51.292 50.368 34.984 1.00 0.00 H +ATOM 6702 CH2 TRP 441 50.650 51.850 36.430 1.00 0.00 C +ATOM 6703 HH2 TRP 441 50.370 52.622 35.728 1.00 0.00 H +ATOM 6704 C TRP 441 52.390 49.550 41.790 1.00 0.00 C +ATOM 6705 O TRP 441 51.890 50.620 41.620 1.00 0.00 O +ATOM 6706 N VAL 442 53.600 49.390 42.280 1.00 0.00 N +ATOM 6707 HN VAL 442 53.850 48.470 42.570 1.00 0.00 H +ATOM 6708 CA VAL 442 54.400 50.550 42.590 1.00 0.00 C +ATOM 6709 HA VAL 442 53.788 51.402 42.850 1.00 0.00 H +ATOM 6710 CB VAL 442 55.080 50.270 43.950 1.00 0.00 C +ATOM 6711 HB VAL 442 54.234 49.992 44.616 1.00 0.00 H +ATOM 6712 CG1 VAL 442 56.030 48.980 43.780 1.00 0.00 C +ATOM 6713 1HG1 VAL 442 56.512 48.790 44.762 1.00 0.00 H +ATOM 6714 2HG1 VAL 442 55.518 48.048 43.460 1.00 0.00 H +ATOM 6715 3HG1 VAL 442 56.762 49.220 42.978 1.00 0.00 H +ATOM 6716 CG2 VAL 442 55.830 51.400 44.660 1.00 0.00 C +ATOM 6717 1HG2 VAL 442 56.896 51.310 44.360 1.00 0.00 H +ATOM 6718 2HG2 VAL 442 55.520 52.460 44.540 1.00 0.00 H +ATOM 6719 3HG2 VAL 442 55.810 51.130 45.738 1.00 0.00 H +ATOM 6720 C VAL 442 55.370 50.930 41.540 1.00 0.00 C +ATOM 6721 O VAL 442 56.170 51.860 41.630 1.00 0.00 O +ATOM 6722 N ILE 443 55.370 50.240 40.450 1.00 0.00 N +ATOM 6723 HN ILE 443 54.690 49.510 40.460 1.00 0.00 H +ATOM 6724 CA ILE 443 56.130 50.410 39.270 1.00 0.00 C +ATOM 6725 HA ILE 443 57.172 50.260 39.510 1.00 0.00 H +ATOM 6726 CB ILE 443 55.890 49.200 38.350 1.00 0.00 C +ATOM 6727 HB ILE 443 56.230 48.268 38.850 1.00 0.00 H +ATOM 6728 CG2 ILE 443 54.340 48.930 38.220 1.00 0.00 C +ATOM 6729 1HG2 ILE 443 53.896 49.836 37.756 1.00 0.00 H +ATOM 6730 2HG2 ILE 443 54.110 48.010 37.640 1.00 0.00 H +ATOM 6731 3HG2 ILE 443 53.850 48.800 39.210 1.00 0.00 H +ATOM 6732 CG1 ILE 443 56.580 49.420 37.010 1.00 0.00 C +ATOM 6733 1HG1 ILE 443 56.180 50.250 36.390 1.00 0.00 H +ATOM 6734 2HG1 ILE 443 57.674 49.610 37.050 1.00 0.00 H +ATOM 6735 CD ILE 443 56.470 48.230 35.990 1.00 0.00 C +ATOM 6736 HD1 ILE 443 57.102 48.270 35.078 1.00 0.00 H +ATOM 6737 HD2 ILE 443 56.500 47.238 36.490 1.00 0.00 H +ATOM 6738 HD3 ILE 443 55.472 48.270 35.502 1.00 0.00 H +ATOM 6739 C ILE 443 56.120 51.760 38.520 1.00 0.00 C +ATOM 6740 O ILE 443 57.160 52.260 38.020 1.00 0.00 O +ATOM 6741 N ALA 444 54.910 52.410 38.410 1.00 0.00 N +ATOM 6742 HN ALA 444 54.142 52.090 38.960 1.00 0.00 H +ATOM 6743 CA ALA 444 54.800 53.730 37.760 1.00 0.00 C +ATOM 6744 HA ALA 444 55.374 53.720 36.846 1.00 0.00 H +ATOM 6745 CB ALA 444 53.330 53.980 37.490 1.00 0.00 C +ATOM 6746 HB1 ALA 444 52.728 54.130 38.412 1.00 0.00 H +ATOM 6747 HB2 ALA 444 53.230 54.878 36.842 1.00 0.00 H +ATOM 6748 HB3 ALA 444 52.802 53.172 36.942 1.00 0.00 H +ATOM 6749 C ALA 444 55.390 54.820 38.550 1.00 0.00 C +ATOM 6750 O ALA 444 56.220 55.570 38.050 1.00 0.00 O +ATOM 6751 N TRP 445 55.190 54.840 39.810 1.00 0.00 N +ATOM 6752 HN TRP 445 54.500 54.200 40.140 1.00 0.00 H +ATOM 6753 CA TRP 445 55.970 55.630 40.740 1.00 0.00 C +ATOM 6754 HA TRP 445 56.050 56.662 40.430 1.00 0.00 H +ATOM 6755 CB TRP 445 55.480 55.560 42.220 1.00 0.00 C +ATOM 6756 HB1 TRP 445 54.488 56.060 42.240 1.00 0.00 H +ATOM 6757 HB2 TRP 445 55.310 54.486 42.448 1.00 0.00 H +ATOM 6758 CG TRP 445 56.330 56.020 43.320 1.00 0.00 C +ATOM 6759 CD1 TRP 445 56.290 57.280 43.820 1.00 0.00 C +ATOM 6760 HD1 TRP 445 55.630 58.080 43.520 1.00 0.00 H +ATOM 6761 NE1 TRP 445 57.190 57.340 44.920 1.00 0.00 N +ATOM 6762 HE1 TRP 445 57.378 58.164 45.408 1.00 0.00 H +ATOM 6763 CE2 TRP 445 57.760 56.150 45.150 1.00 0.00 C +ATOM 6764 CD2 TRP 445 57.300 55.280 44.130 1.00 0.00 C +ATOM 6765 CE3 TRP 445 57.710 53.940 44.110 1.00 0.00 C +ATOM 6766 HE3 TRP 445 57.360 53.348 43.278 1.00 0.00 H +ATOM 6767 CZ3 TRP 445 58.650 53.460 45.090 1.00 0.00 C +ATOM 6768 HZ3 TRP 445 59.100 52.482 45.170 1.00 0.00 H +ATOM 6769 CZ2 TRP 445 58.620 55.660 46.150 1.00 0.00 C +ATOM 6770 HZ2 TRP 445 59.128 56.328 46.828 1.00 0.00 H +ATOM 6771 CH2 TRP 445 59.160 54.350 45.990 1.00 0.00 C +ATOM 6772 HH2 TRP 445 59.840 54.070 46.780 1.00 0.00 H +ATOM 6773 C TRP 445 57.480 55.260 40.750 1.00 0.00 C +ATOM 6774 O TRP 445 58.360 56.120 40.750 1.00 0.00 O +ATOM 6775 N GLU 446 57.810 53.950 40.800 1.00 0.00 N +ATOM 6776 HN GLU 446 57.150 53.210 40.900 1.00 0.00 H +ATOM 6777 CA GLU 446 59.220 53.570 40.850 1.00 0.00 C +ATOM 6778 HA GLU 446 59.636 54.086 41.704 1.00 0.00 H +ATOM 6779 CB GLU 446 59.350 52.050 41.110 1.00 0.00 C +ATOM 6780 HB1 GLU 446 59.048 51.820 42.154 1.00 0.00 H +ATOM 6781 HB2 GLU 446 58.548 51.570 40.510 1.00 0.00 H +ATOM 6782 CG GLU 446 60.790 51.470 40.820 1.00 0.00 C +ATOM 6783 HG1 GLU 446 60.910 51.250 39.738 1.00 0.00 H +ATOM 6784 HG2 GLU 446 61.490 52.220 41.250 1.00 0.00 H +ATOM 6785 CD GLU 446 61.160 50.240 41.600 1.00 0.00 C +ATOM 6786 OE1 GLU 446 61.990 50.190 42.450 1.00 0.00 O +ATOM 6787 OE2 GLU 446 60.460 49.260 41.260 1.00 0.00 O +ATOM 6788 C GLU 446 60.010 53.950 39.640 1.00 0.00 C +ATOM 6789 O GLU 446 61.040 54.610 39.800 1.00 0.00 O +ATOM 6790 N ILE 447 59.470 53.750 38.420 1.00 0.00 N +ATOM 6791 HN ILE 447 58.768 53.048 38.330 1.00 0.00 H +ATOM 6792 CA ILE 447 59.960 54.220 37.130 1.00 0.00 C +ATOM 6793 HA ILE 447 60.978 53.890 36.990 1.00 0.00 H +ATOM 6794 CB ILE 447 59.160 53.650 35.900 1.00 0.00 C +ATOM 6795 HB ILE 447 58.078 53.880 36.000 1.00 0.00 H +ATOM 6796 CG2 ILE 447 59.580 54.320 34.550 1.00 0.00 C +ATOM 6797 1HG2 ILE 447 59.870 55.380 34.710 1.00 0.00 H +ATOM 6798 2HG2 ILE 447 60.544 53.818 34.320 1.00 0.00 H +ATOM 6799 3HG2 ILE 447 58.888 54.110 33.708 1.00 0.00 H +ATOM 6800 CG1 ILE 447 59.490 52.140 35.780 1.00 0.00 C +ATOM 6801 1HG1 ILE 447 60.572 52.010 35.570 1.00 0.00 H +ATOM 6802 2HG1 ILE 447 59.290 51.740 36.798 1.00 0.00 H +ATOM 6803 CD ILE 447 58.750 51.290 34.710 1.00 0.00 C +ATOM 6804 HD1 ILE 447 58.790 51.790 33.720 1.00 0.00 H +ATOM 6805 HD2 ILE 447 59.248 50.302 34.600 1.00 0.00 H +ATOM 6806 HD3 ILE 447 57.676 51.200 34.980 1.00 0.00 H +ATOM 6807 C ILE 447 60.050 55.700 37.190 1.00 0.00 C +ATOM 6808 O ILE 447 61.080 56.340 36.880 1.00 0.00 O +ATOM 6809 N GLY 448 58.950 56.400 37.620 1.00 0.00 N +ATOM 6810 HN GLY 448 58.200 55.880 38.020 1.00 0.00 H +ATOM 6811 CA GLY 448 58.790 57.850 37.510 1.00 0.00 C +ATOM 6812 HA1 GLY 448 58.458 58.222 38.466 1.00 0.00 H +ATOM 6813 HA2 GLY 448 59.748 58.288 37.270 1.00 0.00 H +ATOM 6814 C GLY 448 57.900 58.250 36.370 1.00 0.00 C +ATOM 6815 O GLY 448 57.580 59.410 36.200 1.00 0.00 O +ATOM 6816 N THR 449 57.410 57.320 35.480 1.00 0.00 N +ATOM 6817 HN THR 449 57.590 56.352 35.640 1.00 0.00 H +ATOM 6818 CA THR 449 56.410 57.700 34.490 1.00 0.00 C +ATOM 6819 HA THR 449 55.908 58.622 34.740 1.00 0.00 H +ATOM 6820 CB THR 449 56.860 57.750 33.030 1.00 0.00 C +ATOM 6821 HB THR 449 55.928 57.790 32.428 1.00 0.00 H +ATOM 6822 OG1 THR 449 57.640 56.610 32.710 1.00 0.00 O +ATOM 6823 HG1 THR 449 57.700 56.590 31.752 1.00 0.00 H +ATOM 6824 CG2 THR 449 57.600 59.030 32.740 1.00 0.00 C +ATOM 6825 1HG2 THR 449 58.552 59.120 33.306 1.00 0.00 H +ATOM 6826 2HG2 THR 449 57.880 59.270 31.692 1.00 0.00 H +ATOM 6827 3HG2 THR 449 56.972 59.906 33.008 1.00 0.00 H +ATOM 6828 C THR 449 55.330 56.690 34.550 1.00 0.00 C +ATOM 6829 O THR 449 55.650 55.560 34.830 1.00 0.00 O +ATOM 6830 N ALA 450 54.070 57.160 34.380 1.00 0.00 N +ATOM 6831 HN ALA 450 53.810 58.120 34.300 1.00 0.00 H +ATOM 6832 CA ALA 450 52.930 56.230 34.260 1.00 0.00 C +ATOM 6833 HA ALA 450 53.110 55.266 34.712 1.00 0.00 H +ATOM 6834 CB ALA 450 51.740 56.880 35.080 1.00 0.00 C +ATOM 6835 HB1 ALA 450 51.430 57.860 34.660 1.00 0.00 H +ATOM 6836 HB2 ALA 450 50.860 56.210 34.970 1.00 0.00 H +ATOM 6837 HB3 ALA 450 52.022 56.890 36.154 1.00 0.00 H +ATOM 6838 C ALA 450 52.530 55.910 32.840 1.00 0.00 C +ATOM 6839 O ALA 450 52.950 56.610 31.930 1.00 0.00 O +ATOM 6840 N PRO 451 51.780 54.850 32.540 1.00 0.00 N +ATOM 6841 CD PRO 451 51.390 53.780 33.480 1.00 0.00 C +ATOM 6842 HD1 PRO 451 50.822 54.178 34.348 1.00 0.00 H +ATOM 6843 HD2 PRO 451 52.270 53.220 33.860 1.00 0.00 H +ATOM 6844 CA PRO 451 51.470 54.450 31.120 1.00 0.00 C +ATOM 6845 HA PRO 451 52.342 54.590 30.498 1.00 0.00 H +ATOM 6846 CB PRO 451 51.090 52.930 31.180 1.00 0.00 C +ATOM 6847 HB1 PRO 451 50.494 52.592 30.306 1.00 0.00 H +ATOM 6848 HB2 PRO 451 52.018 52.322 31.220 1.00 0.00 H +ATOM 6849 CG PRO 451 50.490 52.830 32.560 1.00 0.00 C +ATOM 6850 HG1 PRO 451 49.438 53.160 32.690 1.00 0.00 H +ATOM 6851 HG2 PRO 451 50.650 51.828 33.012 1.00 0.00 H +ATOM 6852 C PRO 451 50.420 55.190 30.480 1.00 0.00 C +ATOM 6853 O PRO 451 50.450 55.330 29.240 1.00 0.00 O +ATOM 6854 N ILE 452 49.600 55.820 31.320 1.00 0.00 N +ATOM 6855 HN ILE 452 49.600 55.568 32.284 1.00 0.00 H +ATOM 6856 CA ILE 452 48.570 56.680 30.850 1.00 0.00 C +ATOM 6857 HA ILE 452 47.950 56.230 30.090 1.00 0.00 H +ATOM 6858 CB ILE 452 47.750 57.050 32.020 1.00 0.00 C +ATOM 6859 HB ILE 452 47.440 56.098 32.500 1.00 0.00 H +ATOM 6860 CG2 ILE 452 48.490 58.020 33.040 1.00 0.00 C +ATOM 6861 1HG2 ILE 452 47.948 57.920 34.004 1.00 0.00 H +ATOM 6862 2HG2 ILE 452 49.490 57.600 33.280 1.00 0.00 H +ATOM 6863 3HG2 ILE 452 48.540 59.104 32.800 1.00 0.00 H +ATOM 6864 CG1 ILE 452 46.420 57.790 31.520 1.00 0.00 C +ATOM 6865 1HG1 ILE 452 45.702 58.010 32.338 1.00 0.00 H +ATOM 6866 2HG1 ILE 452 46.720 58.760 31.070 1.00 0.00 H +ATOM 6867 CD ILE 452 45.580 56.950 30.550 1.00 0.00 C +ATOM 6868 HD1 ILE 452 44.610 57.430 30.300 1.00 0.00 H +ATOM 6869 HD2 ILE 452 46.200 56.930 29.628 1.00 0.00 H +ATOM 6870 HD3 ILE 452 45.500 55.878 30.830 1.00 0.00 H +ATOM 6871 C ILE 452 49.170 57.970 30.180 1.00 0.00 C +ATOM 6872 O ILE 452 48.500 58.730 29.500 1.00 0.00 O +ATOM 6873 N GLU 453 50.520 58.310 30.330 1.00 0.00 N +ATOM 6874 HN GLU 453 51.100 57.690 30.850 1.00 0.00 H +ATOM 6875 CA GLU 453 50.990 59.550 29.780 1.00 0.00 C +ATOM 6876 HA GLU 453 50.258 60.332 29.910 1.00 0.00 H +ATOM 6877 CB GLU 453 52.300 59.850 30.520 1.00 0.00 C +ATOM 6878 HB1 GLU 453 52.922 58.938 30.390 1.00 0.00 H +ATOM 6879 HB2 GLU 453 52.770 60.650 29.910 1.00 0.00 H +ATOM 6880 CG GLU 453 52.080 60.110 32.030 1.00 0.00 C +ATOM 6881 HG1 GLU 453 51.354 60.948 32.090 1.00 0.00 H +ATOM 6882 HG2 GLU 453 51.760 59.192 32.568 1.00 0.00 H +ATOM 6883 CD GLU 453 53.330 60.440 32.760 1.00 0.00 C +ATOM 6884 OE1 GLU 453 53.560 59.870 33.840 1.00 0.00 O +ATOM 6885 OE2 GLU 453 54.120 61.300 32.280 1.00 0.00 O +ATOM 6886 C GLU 453 51.100 59.360 28.280 1.00 0.00 C +ATOM 6887 O GLU 453 51.060 60.310 27.510 1.00 0.00 O +ATOM 6888 N GLY 454 51.310 58.100 27.820 1.00 0.00 N +ATOM 6889 HN GLY 454 51.490 57.318 28.412 1.00 0.00 H +ATOM 6890 CA GLY 454 51.310 57.770 26.400 1.00 0.00 C +ATOM 6891 HA1 GLY 454 51.700 56.772 26.260 1.00 0.00 H +ATOM 6892 HA2 GLY 454 50.292 57.940 26.080 1.00 0.00 H +ATOM 6893 C GLY 454 52.340 58.620 25.640 1.00 0.00 C +ATOM 6894 O GLY 454 53.490 58.550 25.950 1.00 0.00 O +ATOM 6895 N GLU 455 51.910 59.380 24.680 1.00 0.00 N +ATOM 6896 HN GLU 455 50.944 59.540 24.490 1.00 0.00 H +ATOM 6897 CA GLU 455 52.820 60.300 23.890 1.00 0.00 C +ATOM 6898 HA GLU 455 53.622 59.638 23.600 1.00 0.00 H +ATOM 6899 CB GLU 455 52.170 60.770 22.560 1.00 0.00 C +ATOM 6900 HB1 GLU 455 51.292 61.450 22.590 1.00 0.00 H +ATOM 6901 HB2 GLU 455 52.958 61.348 22.032 1.00 0.00 H +ATOM 6902 CG GLU 455 51.810 59.600 21.650 1.00 0.00 C +ATOM 6903 HG1 GLU 455 52.624 58.864 21.472 1.00 0.00 H +ATOM 6904 HG2 GLU 455 51.050 58.980 22.170 1.00 0.00 H +ATOM 6905 CD GLU 455 51.050 60.030 20.450 1.00 0.00 C +ATOM 6906 OE1 GLU 455 51.640 60.080 19.330 1.00 0.00 O +ATOM 6907 OE2 GLU 455 49.840 60.240 20.510 1.00 0.00 O +ATOM 6908 C GLU 455 53.430 61.490 24.620 1.00 0.00 C +ATOM 6909 O GLU 455 54.500 61.980 24.270 1.00 0.00 O +ATOM 6910 N LYS 456 52.920 61.820 25.800 1.00 0.00 N +ATOM 6911 HN LYS 456 52.282 61.192 26.238 1.00 0.00 H +ATOM 6912 CA LYS 456 53.490 62.970 26.570 1.00 0.00 C +ATOM 6913 HA LYS 456 53.858 63.768 25.942 1.00 0.00 H +ATOM 6914 CB LYS 456 52.280 63.720 27.300 1.00 0.00 C +ATOM 6915 HB1 LYS 456 51.830 62.852 27.828 1.00 0.00 H +ATOM 6916 HB2 LYS 456 52.720 64.460 28.000 1.00 0.00 H +ATOM 6917 CG LYS 456 51.330 64.310 26.220 1.00 0.00 C +ATOM 6918 HG1 LYS 456 51.920 64.990 25.570 1.00 0.00 H +ATOM 6919 HG2 LYS 456 50.970 63.432 25.642 1.00 0.00 H +ATOM 6920 CD LYS 456 50.210 65.190 27.000 1.00 0.00 C +ATOM 6921 HD1 LYS 456 49.800 64.688 27.902 1.00 0.00 H +ATOM 6922 HD2 LYS 456 50.768 66.106 27.288 1.00 0.00 H +ATOM 6923 CE LYS 456 49.160 65.620 25.980 1.00 0.00 C +ATOM 6924 HE1 LYS 456 48.518 66.362 26.502 1.00 0.00 H +ATOM 6925 HE2 LYS 456 49.622 66.052 25.066 1.00 0.00 H +ATOM 6926 NZ LYS 456 48.220 64.590 25.550 1.00 0.00 N +ATOM 6927 HZ1 LYS 456 48.110 63.840 26.260 1.00 0.00 H +ATOM 6928 HZ2 LYS 456 47.256 64.918 25.342 1.00 0.00 H +ATOM 6929 HZ3 LYS 456 48.500 64.220 24.620 1.00 0.00 H +ATOM 6930 C LYS 456 54.500 62.500 27.650 1.00 0.00 C +ATOM 6931 O LYS 456 55.040 63.310 28.380 1.00 0.00 O +ATOM 6932 N ALA 457 54.850 61.200 27.670 1.00 0.00 N +ATOM 6933 HN ALA 457 54.390 60.550 27.070 1.00 0.00 H +ATOM 6934 CA ALA 457 55.800 60.700 28.620 1.00 0.00 C +ATOM 6935 HA ALA 457 55.420 60.920 29.608 1.00 0.00 H +ATOM 6936 CB ALA 457 55.910 59.160 28.630 1.00 0.00 C +ATOM 6937 HB1 ALA 457 56.450 58.820 29.540 1.00 0.00 H +ATOM 6938 HB2 ALA 457 54.944 58.618 28.550 1.00 0.00 H +ATOM 6939 HB3 ALA 457 56.550 58.730 27.830 1.00 0.00 H +ATOM 6940 C ALA 457 57.240 61.270 28.460 1.00 0.00 C +ATOM 6941 O ALA 457 57.810 61.210 27.350 1.00 0.00 O +ATOM 6942 N GLU 458 57.790 61.950 29.510 1.00 0.00 N +ATOM 6943 HN GLU 458 57.302 62.090 30.368 1.00 0.00 H +ATOM 6944 CA GLU 458 59.240 62.310 29.500 1.00 0.00 C +ATOM 6945 HA GLU 458 59.530 62.750 28.558 1.00 0.00 H +ATOM 6946 CB GLU 458 59.620 63.310 30.550 1.00 0.00 C +ATOM 6947 HB1 GLU 458 59.400 62.780 31.500 1.00 0.00 H +ATOM 6948 HB2 GLU 458 60.712 63.500 30.610 1.00 0.00 H +ATOM 6949 CG GLU 458 58.950 64.650 30.370 1.00 0.00 C +ATOM 6950 HG1 GLU 458 59.180 65.100 29.380 1.00 0.00 H +ATOM 6951 HG2 GLU 458 57.852 64.600 30.530 1.00 0.00 H +ATOM 6952 CD GLU 458 59.330 65.640 31.450 1.00 0.00 C +ATOM 6953 OE1 GLU 458 58.440 66.390 32.020 1.00 0.00 O +ATOM 6954 OE2 GLU 458 60.530 65.750 31.880 1.00 0.00 O +ATOM 6955 C GLU 458 60.180 61.090 29.620 1.00 0.00 C +ATOM 6956 O GLU 458 59.700 59.960 29.900 1.00 0.00 O +ATOM 6957 N LYS 459 61.500 61.260 29.400 1.00 0.00 N +ATOM 6958 HN LYS 459 61.820 62.168 29.140 1.00 0.00 H +ATOM 6959 CA LYS 459 62.400 60.150 29.500 1.00 0.00 C +ATOM 6960 HA LYS 459 61.860 59.220 29.410 1.00 0.00 H +ATOM 6961 CB LYS 459 63.320 60.100 28.230 1.00 0.00 C +ATOM 6962 HB1 LYS 459 63.660 61.138 28.030 1.00 0.00 H +ATOM 6963 HB2 LYS 459 64.258 59.522 28.370 1.00 0.00 H +ATOM 6964 CG LYS 459 62.640 59.610 26.930 1.00 0.00 C +ATOM 6965 HG1 LYS 459 62.220 58.588 27.050 1.00 0.00 H +ATOM 6966 HG2 LYS 459 61.770 60.300 26.870 1.00 0.00 H +ATOM 6967 CD LYS 459 63.620 59.740 25.700 1.00 0.00 C +ATOM 6968 HD1 LYS 459 64.120 60.730 25.770 1.00 0.00 H +ATOM 6969 HD2 LYS 459 64.408 58.972 25.860 1.00 0.00 H +ATOM 6970 CE LYS 459 62.830 59.580 24.400 1.00 0.00 C +ATOM 6971 HE1 LYS 459 62.160 58.700 24.490 1.00 0.00 H +ATOM 6972 HE2 LYS 459 62.176 60.452 24.182 1.00 0.00 H +ATOM 6973 NZ LYS 459 63.740 59.410 23.210 1.00 0.00 N +ATOM 6974 HZ1 LYS 459 63.168 59.570 22.356 1.00 0.00 H +ATOM 6975 HZ2 LYS 459 64.440 60.170 23.100 1.00 0.00 H +ATOM 6976 HZ3 LYS 459 64.180 58.468 23.200 1.00 0.00 H +ATOM 6977 C LYS 459 63.150 60.040 30.790 1.00 0.00 C +ATOM 6978 O LYS 459 64.090 60.790 31.130 1.00 0.00 O +ATOM 6979 N VAL 460 62.720 59.110 31.660 1.00 0.00 N +ATOM 6980 HN VAL 460 62.044 58.444 31.352 1.00 0.00 H +ATOM 6981 CA VAL 460 63.300 59.060 32.980 1.00 0.00 C +ATOM 6982 HA VAL 460 63.708 60.038 33.190 1.00 0.00 H +ATOM 6983 CB VAL 460 62.390 58.750 34.120 1.00 0.00 C +ATOM 6984 HB VAL 460 62.130 57.670 34.090 1.00 0.00 H +ATOM 6985 CG1 VAL 460 63.000 59.190 35.430 1.00 0.00 C +ATOM 6986 1HG1 VAL 460 62.200 59.160 36.200 1.00 0.00 H +ATOM 6987 2HG1 VAL 460 63.774 58.456 35.742 1.00 0.00 H +ATOM 6988 3HG1 VAL 460 63.360 60.238 35.520 1.00 0.00 H +ATOM 6989 CG2 VAL 460 61.100 59.550 33.980 1.00 0.00 C +ATOM 6990 1HG2 VAL 460 60.486 59.218 34.844 1.00 0.00 H +ATOM 6991 2HG2 VAL 460 61.330 60.636 34.020 1.00 0.00 H +ATOM 6992 3HG2 VAL 460 60.600 59.340 33.010 1.00 0.00 H +ATOM 6993 C VAL 460 64.490 58.170 33.020 1.00 0.00 C +ATOM 6994 O VAL 460 64.400 56.980 32.650 1.00 0.00 O +ATOM 6995 N GLU 461 65.690 58.670 33.360 1.00 0.00 N +ATOM 6996 HN GLU 461 65.810 59.658 33.430 1.00 0.00 H +ATOM 6997 CA GLU 461 66.840 57.810 33.540 1.00 0.00 C +ATOM 6998 HA GLU 461 66.800 57.008 32.818 1.00 0.00 H +ATOM 6999 CB GLU 461 68.220 58.510 33.380 1.00 0.00 C +ATOM 7000 HB1 GLU 461 68.290 59.042 32.408 1.00 0.00 H +ATOM 7001 HB2 GLU 461 68.330 59.276 34.176 1.00 0.00 H +ATOM 7002 CG GLU 461 69.480 57.690 33.650 1.00 0.00 C +ATOM 7003 HG1 GLU 461 69.470 57.430 34.730 1.00 0.00 H +ATOM 7004 HG2 GLU 461 69.630 56.752 33.072 1.00 0.00 H +ATOM 7005 CD GLU 461 70.730 58.440 33.330 1.00 0.00 C +ATOM 7006 OE1 GLU 461 71.610 57.820 32.620 1.00 0.00 O +ATOM 7007 OE2 GLU 461 70.850 59.570 33.830 1.00 0.00 O +ATOM 7008 C GLU 461 66.740 57.100 34.920 1.00 0.00 C +ATOM 7009 O GLU 461 67.340 57.420 35.960 1.00 0.00 O +ATOM 7010 N TYR 462 65.970 55.940 34.970 1.00 0.00 N +ATOM 7011 HN TYR 462 65.468 55.810 34.118 1.00 0.00 H +ATOM 7012 CA TYR 462 65.850 55.050 36.150 1.00 0.00 C +ATOM 7013 HA TYR 462 65.530 55.690 36.960 1.00 0.00 H +ATOM 7014 CB TYR 462 64.710 53.950 36.070 1.00 0.00 C +ATOM 7015 HB1 TYR 462 63.736 54.472 35.970 1.00 0.00 H +ATOM 7016 HB2 TYR 462 64.810 53.362 35.132 1.00 0.00 H +ATOM 7017 CG TYR 462 64.730 52.970 37.170 1.00 0.00 C +ATOM 7018 CD1 TYR 462 65.580 51.860 36.970 1.00 0.00 C +ATOM 7019 HD1 TYR 462 66.148 51.820 36.052 1.00 0.00 H +ATOM 7020 CE1 TYR 462 65.580 50.860 37.970 1.00 0.00 C +ATOM 7021 HE1 TYR 462 66.150 49.950 37.850 1.00 0.00 H +ATOM 7022 CZ TYR 462 64.850 51.040 39.150 1.00 0.00 C +ATOM 7023 OH TYR 462 64.800 50.110 40.190 1.00 0.00 O +ATOM 7024 HH TYR 462 65.028 49.256 39.812 1.00 0.00 H +ATOM 7025 CD2 TYR 462 63.930 53.100 38.290 1.00 0.00 C +ATOM 7026 HD2 TYR 462 63.388 54.014 38.480 1.00 0.00 H +ATOM 7027 CE2 TYR 462 63.960 52.160 39.320 1.00 0.00 C +ATOM 7028 HE2 TYR 462 63.328 52.200 40.194 1.00 0.00 H +ATOM 7029 C TYR 462 67.260 54.540 36.520 1.00 0.00 C +ATOM 7030 O TYR 462 68.110 54.210 35.720 1.00 0.00 O +ATOM 7031 N LYS 463 67.500 54.510 37.810 1.00 0.00 N +ATOM 7032 HN LYS 463 66.766 54.812 38.414 1.00 0.00 H +ATOM 7033 CA LYS 463 68.720 53.980 38.430 1.00 0.00 C +ATOM 7034 HA LYS 463 69.180 53.320 37.710 1.00 0.00 H +ATOM 7035 CB LYS 463 69.670 55.060 39.000 1.00 0.00 C +ATOM 7036 HB1 LYS 463 69.210 55.640 39.830 1.00 0.00 H +ATOM 7037 HB2 LYS 463 70.606 54.608 39.392 1.00 0.00 H +ATOM 7038 CG LYS 463 70.000 56.130 37.900 1.00 0.00 C +ATOM 7039 HG1 LYS 463 70.520 55.620 37.060 1.00 0.00 H +ATOM 7040 HG2 LYS 463 69.082 56.588 37.472 1.00 0.00 H +ATOM 7041 CD LYS 463 70.930 57.320 38.420 1.00 0.00 C +ATOM 7042 HD1 LYS 463 70.250 58.020 38.950 1.00 0.00 H +ATOM 7043 HD2 LYS 463 71.630 56.790 39.100 1.00 0.00 H +ATOM 7044 CE LYS 463 71.740 58.100 37.330 1.00 0.00 C +ATOM 7045 HE1 LYS 463 72.160 57.408 36.568 1.00 0.00 H +ATOM 7046 HE2 LYS 463 71.098 58.882 36.870 1.00 0.00 H +ATOM 7047 NZ LYS 463 72.800 58.900 38.100 1.00 0.00 N +ATOM 7048 HZ1 LYS 463 73.450 59.310 37.400 1.00 0.00 H +ATOM 7049 HZ2 LYS 463 72.400 59.688 38.648 1.00 0.00 H +ATOM 7050 HZ3 LYS 463 73.332 58.278 38.742 1.00 0.00 H +ATOM 7051 C LYS 463 68.280 53.160 39.610 1.00 0.00 C +ATOM 7052 O LYS 463 67.460 53.570 40.420 1.00 0.00 O +ATOM 7053 N ILE 464 68.760 51.930 39.740 1.00 0.00 N +ATOM 7054 HN ILE 464 69.452 51.630 39.088 1.00 0.00 H +ATOM 7055 CA ILE 464 68.470 50.930 40.810 1.00 0.00 C +ATOM 7056 HA ILE 464 67.410 50.720 40.790 1.00 0.00 H +ATOM 7057 CB ILE 464 69.100 49.490 40.620 1.00 0.00 C +ATOM 7058 HB ILE 464 70.158 49.490 40.960 1.00 0.00 H +ATOM 7059 CG2 ILE 464 68.180 48.510 41.420 1.00 0.00 C +ATOM 7060 1HG2 ILE 464 67.200 48.550 40.900 1.00 0.00 H +ATOM 7061 2HG2 ILE 464 68.620 47.492 41.500 1.00 0.00 H +ATOM 7062 3HG2 ILE 464 68.060 48.960 42.428 1.00 0.00 H +ATOM 7063 CG1 ILE 464 69.140 49.120 39.170 1.00 0.00 C +ATOM 7064 1HG1 ILE 464 68.178 49.502 38.768 1.00 0.00 H +ATOM 7065 2HG1 ILE 464 69.958 49.758 38.772 1.00 0.00 H +ATOM 7066 CD ILE 464 69.370 47.590 38.890 1.00 0.00 C +ATOM 7067 HD1 ILE 464 68.558 46.940 39.280 1.00 0.00 H +ATOM 7068 HD2 ILE 464 69.470 47.530 37.786 1.00 0.00 H +ATOM 7069 HD3 ILE 464 70.306 47.242 39.378 1.00 0.00 H +ATOM 7070 C ILE 464 68.810 51.420 42.200 1.00 0.00 C +ATOM 7071 O ILE 464 69.880 51.970 42.450 1.00 0.00 O +ATOM 7072 N SER 465 67.880 51.180 43.110 1.00 0.00 N +ATOM 7073 HN SER 465 66.968 50.850 42.880 1.00 0.00 H +ATOM 7074 CA SER 465 68.090 51.620 44.490 1.00 0.00 C +ATOM 7075 HA SER 465 69.064 51.362 44.878 1.00 0.00 H +ATOM 7076 CB SER 465 67.940 53.130 44.770 1.00 0.00 C +ATOM 7077 HB1 SER 465 68.390 53.260 45.778 1.00 0.00 H +ATOM 7078 HB2 SER 465 68.588 53.808 44.172 1.00 0.00 H +ATOM 7079 OG SER 465 66.590 53.630 44.620 1.00 0.00 O +ATOM 7080 HG1 SER 465 66.650 54.530 44.950 1.00 0.00 H +ATOM 7081 C SER 465 67.130 50.880 45.440 1.00 0.00 C +ATOM 7082 O SER 465 66.030 50.470 44.970 1.00 0.00 O +ATOM 7083 N TYR 466 67.530 50.650 46.650 1.00 0.00 N +ATOM 7084 HN TYR 466 68.412 51.040 46.900 1.00 0.00 H +ATOM 7085 CA TYR 466 66.860 49.820 47.610 1.00 0.00 C +ATOM 7086 HA TYR 466 65.882 49.470 47.310 1.00 0.00 H +ATOM 7087 CB TYR 466 67.800 48.660 48.030 1.00 0.00 C +ATOM 7088 HB1 TYR 466 68.808 49.030 48.320 1.00 0.00 H +ATOM 7089 HB2 TYR 466 67.370 47.998 48.812 1.00 0.00 H +ATOM 7090 CG TYR 466 67.980 47.640 46.880 1.00 0.00 C +ATOM 7091 CD1 TYR 466 67.170 46.540 46.620 1.00 0.00 C +ATOM 7092 HD1 TYR 466 66.306 46.360 47.242 1.00 0.00 H +ATOM 7093 CE1 TYR 466 67.520 45.630 45.620 1.00 0.00 C +ATOM 7094 HE1 TYR 466 66.846 44.846 45.308 1.00 0.00 H +ATOM 7095 CZ TYR 466 68.600 45.890 44.820 1.00 0.00 C +ATOM 7096 OH TYR 466 68.870 45.110 43.630 1.00 0.00 O +ATOM 7097 HH TYR 466 69.574 45.686 43.322 1.00 0.00 H +ATOM 7098 CD2 TYR 466 69.120 47.840 46.020 1.00 0.00 C +ATOM 7099 HD2 TYR 466 69.722 48.734 46.090 1.00 0.00 H +ATOM 7100 CE2 TYR 466 69.470 46.910 45.050 1.00 0.00 C +ATOM 7101 HE2 TYR 466 70.340 47.110 44.440 1.00 0.00 H +ATOM 7102 C TYR 466 66.510 50.570 48.860 1.00 0.00 C +ATOM 7103 O TYR 466 66.420 49.970 49.930 1.00 0.00 O +ATOM 7104 N ASP 467 66.400 51.900 48.690 1.00 0.00 N +ATOM 7105 HN ASP 467 66.668 52.338 47.834 1.00 0.00 H +ATOM 7106 CA ASP 467 65.930 52.850 49.730 1.00 0.00 C +ATOM 7107 HA ASP 467 66.812 52.870 50.352 1.00 0.00 H +ATOM 7108 CB ASP 467 65.800 54.160 48.900 1.00 0.00 C +ATOM 7109 HB1 ASP 467 66.816 54.300 48.472 1.00 0.00 H +ATOM 7110 HB2 ASP 467 65.050 54.050 48.088 1.00 0.00 H +ATOM 7111 CG ASP 467 65.480 55.510 49.550 1.00 0.00 C +ATOM 7112 OD1 ASP 467 64.840 55.510 50.620 1.00 0.00 O +ATOM 7113 OD2 ASP 467 65.870 56.550 48.880 1.00 0.00 O +ATOM 7114 C ASP 467 64.700 52.470 50.590 1.00 0.00 C +ATOM 7115 O ASP 467 63.710 51.940 50.090 1.00 0.00 O +ATOM 7116 N PRO 468 64.700 52.720 51.890 1.00 0.00 N +ATOM 7117 CD PRO 468 65.870 53.160 52.670 1.00 0.00 C +ATOM 7118 HD1 PRO 468 66.362 53.922 52.028 1.00 0.00 H +ATOM 7119 HD2 PRO 468 66.566 52.344 52.958 1.00 0.00 H +ATOM 7120 CA PRO 468 63.470 52.550 52.710 1.00 0.00 C +ATOM 7121 HA PRO 468 63.280 51.488 52.700 1.00 0.00 H +ATOM 7122 CB PRO 468 63.960 52.960 54.130 1.00 0.00 C +ATOM 7123 HB1 PRO 468 63.092 53.290 54.740 1.00 0.00 H +ATOM 7124 HB2 PRO 468 64.308 52.004 54.578 1.00 0.00 H +ATOM 7125 CG PRO 468 65.260 53.800 53.900 1.00 0.00 C +ATOM 7126 HG1 PRO 468 64.798 54.794 53.720 1.00 0.00 H +ATOM 7127 HG2 PRO 468 65.898 53.940 54.798 1.00 0.00 H +ATOM 7128 C PRO 468 62.140 53.210 52.210 1.00 0.00 C +ATOM 7129 O PRO 468 61.060 52.720 52.550 1.00 0.00 O +ATOM 7130 N ILE 469 62.120 54.280 51.380 1.00 0.00 N +ATOM 7131 HN ILE 469 62.954 54.802 51.220 1.00 0.00 H +ATOM 7132 CA ILE 469 60.930 54.870 50.740 1.00 0.00 C +ATOM 7133 HA ILE 469 60.246 55.010 51.564 1.00 0.00 H +ATOM 7134 CB ILE 469 61.270 56.180 50.030 1.00 0.00 C +ATOM 7135 HB ILE 469 61.800 56.790 50.792 1.00 0.00 H +ATOM 7136 CG2 ILE 469 62.200 55.870 48.840 1.00 0.00 C +ATOM 7137 1HG2 ILE 469 61.592 55.362 48.062 1.00 0.00 H +ATOM 7138 2HG2 ILE 469 62.742 56.784 48.518 1.00 0.00 H +ATOM 7139 3HG2 ILE 469 63.050 55.170 48.980 1.00 0.00 H +ATOM 7140 CG1 ILE 469 60.000 56.940 49.650 1.00 0.00 C +ATOM 7141 1HG1 ILE 469 60.360 57.980 49.500 1.00 0.00 H +ATOM 7142 2HG1 ILE 469 59.480 56.520 48.762 1.00 0.00 H +ATOM 7143 CD ILE 469 58.900 56.980 50.730 1.00 0.00 C +ATOM 7144 HD1 ILE 469 58.202 57.838 50.620 1.00 0.00 H +ATOM 7145 HD2 ILE 469 58.392 55.992 50.720 1.00 0.00 H +ATOM 7146 HD3 ILE 469 59.310 57.120 51.752 1.00 0.00 H +ATOM 7147 C ILE 469 60.190 53.830 49.910 1.00 0.00 C +ATOM 7148 O ILE 469 58.940 53.700 49.980 1.00 0.00 O +ATOM 7149 N LYS 470 60.910 52.830 49.180 1.00 0.00 N +ATOM 7150 HN LYS 470 61.898 52.720 49.270 1.00 0.00 H +ATOM 7151 CA LYS 470 60.330 51.770 48.500 1.00 0.00 C +ATOM 7152 HA LYS 470 59.726 52.162 47.696 1.00 0.00 H +ATOM 7153 CB LYS 470 61.430 51.100 47.650 1.00 0.00 C +ATOM 7154 HB1 LYS 470 62.202 50.700 48.342 1.00 0.00 H +ATOM 7155 HB2 LYS 470 61.010 50.258 47.060 1.00 0.00 H +ATOM 7156 CG LYS 470 62.050 52.030 46.540 1.00 0.00 C +ATOM 7157 HG1 LYS 470 61.204 52.508 46.002 1.00 0.00 H +ATOM 7158 HG2 LYS 470 62.660 52.872 46.930 1.00 0.00 H +ATOM 7159 CD LYS 470 62.900 51.360 45.430 1.00 0.00 C +ATOM 7160 HD1 LYS 470 63.698 50.922 46.068 1.00 0.00 H +ATOM 7161 HD2 LYS 470 62.274 50.582 44.946 1.00 0.00 H +ATOM 7162 CE LYS 470 63.540 52.350 44.390 1.00 0.00 C +ATOM 7163 HE1 LYS 470 62.902 52.988 43.742 1.00 0.00 H +ATOM 7164 HE2 LYS 470 64.252 53.072 44.842 1.00 0.00 H +ATOM 7165 NZ LYS 470 64.200 51.470 43.430 1.00 0.00 N +ATOM 7166 HZ1 LYS 470 64.742 52.082 42.788 1.00 0.00 H +ATOM 7167 HZ2 LYS 470 64.810 50.760 43.880 1.00 0.00 H +ATOM 7168 HZ3 LYS 470 63.408 50.998 42.948 1.00 0.00 H +ATOM 7169 C LYS 470 59.530 50.810 49.460 1.00 0.00 C +ATOM 7170 O LYS 470 58.440 50.340 49.130 1.00 0.00 O +ATOM 7171 N ALA 471 59.980 50.490 50.740 1.00 0.00 N +ATOM 7172 HN ALA 471 60.792 50.810 51.222 1.00 0.00 H +ATOM 7173 CA ALA 471 59.170 49.610 51.610 1.00 0.00 C +ATOM 7174 HA ALA 471 58.684 48.816 51.064 1.00 0.00 H +ATOM 7175 CB ALA 471 60.090 49.120 52.740 1.00 0.00 C +ATOM 7176 HB1 ALA 471 59.580 48.350 53.360 1.00 0.00 H +ATOM 7177 HB2 ALA 471 60.958 48.610 52.270 1.00 0.00 H +ATOM 7178 HB3 ALA 471 60.380 49.878 53.498 1.00 0.00 H +ATOM 7179 C ALA 471 57.940 50.300 52.190 1.00 0.00 C +ATOM 7180 O ALA 471 56.830 49.760 52.300 1.00 0.00 O +ATOM 7181 N GLN 472 58.120 51.650 52.420 1.00 0.00 N +ATOM 7182 HN GLN 472 59.026 52.042 52.280 1.00 0.00 H +ATOM 7183 CA GLN 472 57.030 52.520 52.720 1.00 0.00 C +ATOM 7184 HA GLN 472 56.488 52.138 53.572 1.00 0.00 H +ATOM 7185 CB GLN 472 57.790 53.900 53.130 1.00 0.00 C +ATOM 7186 HB1 GLN 472 58.370 54.340 52.290 1.00 0.00 H +ATOM 7187 HB2 GLN 472 56.938 54.590 53.310 1.00 0.00 H +ATOM 7188 CG GLN 472 58.520 53.830 54.520 1.00 0.00 C +ATOM 7189 HG1 GLN 472 57.808 53.770 55.372 1.00 0.00 H +ATOM 7190 HG2 GLN 472 59.040 52.848 54.520 1.00 0.00 H +ATOM 7191 CD GLN 472 59.620 54.910 54.660 1.00 0.00 C +ATOM 7192 OE1 GLN 472 59.370 56.090 54.430 1.00 0.00 O +ATOM 7193 NE2 GLN 472 60.760 54.490 55.220 1.00 0.00 N +ATOM 7194 1HE2 GLN 472 60.870 53.594 55.648 1.00 0.00 H +ATOM 7195 2HE2 GLN 472 61.356 55.236 55.518 1.00 0.00 H +ATOM 7196 C GLN 472 56.020 52.670 51.540 1.00 0.00 C +ATOM 7197 O GLN 472 54.840 52.670 51.770 1.00 0.00 O +ATOM 7198 N LYS 473 56.460 52.720 50.280 1.00 0.00 N +ATOM 7199 HN LYS 473 57.418 52.730 50.000 1.00 0.00 H +ATOM 7200 CA LYS 473 55.510 52.870 49.180 1.00 0.00 C +ATOM 7201 HA LYS 473 54.806 53.642 49.458 1.00 0.00 H +ATOM 7202 CB LYS 473 56.190 53.410 47.910 1.00 0.00 C +ATOM 7203 HB1 LYS 473 56.860 54.260 48.160 1.00 0.00 H +ATOM 7204 HB2 LYS 473 56.722 52.536 47.478 1.00 0.00 H +ATOM 7205 CG LYS 473 55.140 53.980 46.890 1.00 0.00 C +ATOM 7206 HG1 LYS 473 55.668 54.050 45.914 1.00 0.00 H +ATOM 7207 HG2 LYS 473 54.188 53.418 46.790 1.00 0.00 H +ATOM 7208 CD LYS 473 54.760 55.390 47.310 1.00 0.00 C +ATOM 7209 HD1 LYS 473 54.280 55.420 48.312 1.00 0.00 H +ATOM 7210 HD2 LYS 473 55.700 55.980 47.320 1.00 0.00 H +ATOM 7211 CE LYS 473 53.790 56.020 46.290 1.00 0.00 C +ATOM 7212 HE1 LYS 473 54.202 56.130 45.264 1.00 0.00 H +ATOM 7213 HE2 LYS 473 52.868 55.400 46.290 1.00 0.00 H +ATOM 7214 NZ LYS 473 53.510 57.420 46.810 1.00 0.00 N +ATOM 7215 HZ1 LYS 473 53.370 58.052 45.996 1.00 0.00 H +ATOM 7216 HZ2 LYS 473 52.690 57.390 47.450 1.00 0.00 H +ATOM 7217 HZ3 LYS 473 54.386 57.662 47.314 1.00 0.00 H +ATOM 7218 C LYS 473 54.670 51.640 48.870 1.00 0.00 C +ATOM 7219 O LYS 473 53.510 51.690 48.480 1.00 0.00 O +ATOM 7220 N VAL 474 55.260 50.460 49.140 1.00 0.00 N +ATOM 7221 HN VAL 474 56.226 50.510 49.380 1.00 0.00 H +ATOM 7222 CA VAL 474 54.640 49.110 49.060 1.00 0.00 C +ATOM 7223 HA VAL 474 54.106 49.070 48.122 1.00 0.00 H +ATOM 7224 CB VAL 474 55.660 48.000 49.170 1.00 0.00 C +ATOM 7225 HB VAL 474 56.408 48.240 49.958 1.00 0.00 H +ATOM 7226 CG1 VAL 474 55.120 46.650 49.580 1.00 0.00 C +ATOM 7227 1HG1 VAL 474 54.592 46.620 50.558 1.00 0.00 H +ATOM 7228 2HG1 VAL 474 54.356 46.224 48.894 1.00 0.00 H +ATOM 7229 3HG1 VAL 474 55.972 45.938 49.570 1.00 0.00 H +ATOM 7230 CG2 VAL 474 56.430 47.930 47.790 1.00 0.00 C +ATOM 7231 1HG2 VAL 474 57.098 47.042 47.840 1.00 0.00 H +ATOM 7232 2HG2 VAL 474 55.722 47.820 46.942 1.00 0.00 H +ATOM 7233 3HG2 VAL 474 57.024 48.868 47.810 1.00 0.00 H +ATOM 7234 C VAL 474 53.620 48.990 50.200 1.00 0.00 C +ATOM 7235 O VAL 474 52.460 48.590 49.990 1.00 0.00 O +ATOM 7236 N VAL 475 53.940 49.420 51.440 1.00 0.00 N +ATOM 7237 HN VAL 475 54.850 49.790 51.610 1.00 0.00 H +ATOM 7238 CA VAL 475 52.980 49.650 52.570 1.00 0.00 C +ATOM 7239 HA VAL 475 52.452 48.714 52.680 1.00 0.00 H +ATOM 7240 CB VAL 475 53.700 49.840 53.900 1.00 0.00 C +ATOM 7241 HB VAL 475 54.542 50.552 53.770 1.00 0.00 H +ATOM 7242 CG1 VAL 475 52.800 50.240 55.050 1.00 0.00 C +ATOM 7243 1HG1 VAL 475 52.074 49.424 55.252 1.00 0.00 H +ATOM 7244 2HG1 VAL 475 53.490 50.380 55.910 1.00 0.00 H +ATOM 7245 3HG1 VAL 475 52.330 51.230 54.860 1.00 0.00 H +ATOM 7246 CG2 VAL 475 54.150 48.420 54.220 1.00 0.00 C +ATOM 7247 1HG2 VAL 475 54.930 48.350 55.010 1.00 0.00 H +ATOM 7248 2HG2 VAL 475 53.258 47.768 54.340 1.00 0.00 H +ATOM 7249 3HG2 VAL 475 54.668 47.992 53.334 1.00 0.00 H +ATOM 7250 C VAL 475 51.920 50.740 52.340 1.00 0.00 C +ATOM 7251 O VAL 475 50.740 50.610 52.680 1.00 0.00 O +ATOM 7252 N GLU 476 52.200 51.880 51.600 1.00 0.00 N +ATOM 7253 HN GLU 476 53.136 52.030 51.292 1.00 0.00 H +ATOM 7254 CA GLU 476 51.140 52.850 51.350 1.00 0.00 C +ATOM 7255 HA GLU 476 50.548 53.040 52.232 1.00 0.00 H +ATOM 7256 CB GLU 476 51.810 54.190 50.750 1.00 0.00 C +ATOM 7257 HB1 GLU 476 52.500 54.510 51.560 1.00 0.00 H +ATOM 7258 HB2 GLU 476 52.572 53.920 49.988 1.00 0.00 H +ATOM 7259 CG GLU 476 50.870 55.260 50.320 1.00 0.00 C +ATOM 7260 HG1 GLU 476 50.390 55.060 49.338 1.00 0.00 H +ATOM 7261 HG2 GLU 476 50.080 55.590 51.030 1.00 0.00 H +ATOM 7262 CD GLU 476 51.690 56.500 50.020 1.00 0.00 C +ATOM 7263 OE1 GLU 476 51.790 56.880 48.830 1.00 0.00 O +ATOM 7264 OE2 GLU 476 52.200 57.090 50.990 1.00 0.00 O +ATOM 7265 C GLU 476 50.150 52.310 50.340 1.00 0.00 C +ATOM 7266 O GLU 476 48.970 52.260 50.580 1.00 0.00 O +ATOM 7267 N LEU 477 50.620 51.730 49.200 1.00 0.00 N +ATOM 7268 HN LEU 477 51.608 51.720 49.070 1.00 0.00 H +ATOM 7269 CA LEU 477 49.770 51.260 48.110 1.00 0.00 C +ATOM 7270 HA LEU 477 48.962 51.958 47.950 1.00 0.00 H +ATOM 7271 CB LEU 477 50.700 51.060 46.870 1.00 0.00 C +ATOM 7272 HB1 LEU 477 51.592 50.540 47.280 1.00 0.00 H +ATOM 7273 HB2 LEU 477 50.220 50.410 46.108 1.00 0.00 H +ATOM 7274 CG LEU 477 51.020 52.410 46.190 1.00 0.00 C +ATOM 7275 HG LEU 477 51.480 53.052 46.972 1.00 0.00 H +ATOM 7276 CD1 LEU 477 51.960 52.078 44.990 1.00 0.00 C +ATOM 7277 1HD1 LEU 477 51.232 51.720 44.232 1.00 0.00 H +ATOM 7278 2HD1 LEU 477 52.526 52.998 44.728 1.00 0.00 H +ATOM 7279 3HD1 LEU 477 52.606 51.204 45.218 1.00 0.00 H +ATOM 7280 CD2 LEU 477 49.820 53.230 45.700 1.00 0.00 C +ATOM 7281 1HD2 LEU 477 49.248 52.700 44.908 1.00 0.00 H +ATOM 7282 2HD2 LEU 477 49.226 53.592 46.566 1.00 0.00 H +ATOM 7283 3HD2 LEU 477 50.290 54.130 45.250 1.00 0.00 H +ATOM 7284 C LEU 477 49.030 49.940 48.500 1.00 0.00 C +ATOM 7285 O LEU 477 47.930 49.710 48.030 1.00 0.00 O +ATOM 7286 N GLN 478 49.660 49.110 49.320 1.00 0.00 N +ATOM 7287 HN GLN 478 50.630 49.260 49.500 1.00 0.00 H +ATOM 7288 CA GLN 478 48.970 47.980 49.990 1.00 0.00 C +ATOM 7289 HA GLN 478 48.562 47.352 49.212 1.00 0.00 H +ATOM 7290 CB GLN 478 49.900 47.200 50.960 1.00 0.00 C +ATOM 7291 HB1 GLN 478 50.670 47.860 51.410 1.00 0.00 H +ATOM 7292 HB2 GLN 478 49.330 46.650 51.740 1.00 0.00 H +ATOM 7293 CG GLN 478 50.640 46.110 50.230 1.00 0.00 C +ATOM 7294 HG1 GLN 478 49.850 45.450 49.810 1.00 0.00 H +ATOM 7295 HG2 GLN 478 51.340 46.500 49.460 1.00 0.00 H +ATOM 7296 CD GLN 478 51.530 45.190 51.140 1.00 0.00 C +ATOM 7297 OE1 GLN 478 52.090 45.590 52.150 1.00 0.00 O +ATOM 7298 NE2 GLN 478 51.620 43.970 50.740 1.00 0.00 N +ATOM 7299 1HE2 GLN 478 51.130 43.770 49.892 1.00 0.00 H +ATOM 7300 2HE2 GLN 478 51.810 43.260 51.420 1.00 0.00 H +ATOM 7301 C GLN 478 47.840 48.450 50.900 1.00 0.00 C +ATOM 7302 O GLN 478 46.770 47.800 50.860 1.00 0.00 O +ATOM 7303 N ARG 479 47.930 49.490 51.660 1.00 0.00 N +ATOM 7304 HN ARG 479 48.706 50.116 51.670 1.00 0.00 H +ATOM 7305 CA ARG 479 46.800 50.100 52.420 1.00 0.00 C +ATOM 7306 HA ARG 479 46.280 49.400 53.060 1.00 0.00 H +ATOM 7307 CB ARG 479 47.350 51.180 53.260 1.00 0.00 C +ATOM 7308 HB1 ARG 479 48.060 51.840 52.720 1.00 0.00 H +ATOM 7309 HB2 ARG 479 46.592 51.928 53.580 1.00 0.00 H +ATOM 7310 CG ARG 479 48.000 50.630 54.620 1.00 0.00 C +ATOM 7311 HG1 ARG 479 47.230 50.190 55.290 1.00 0.00 H +ATOM 7312 HG2 ARG 479 48.764 49.896 54.288 1.00 0.00 H +ATOM 7313 CD ARG 479 48.760 51.750 55.280 1.00 0.00 C +ATOM 7314 HD1 ARG 479 49.622 51.980 54.618 1.00 0.00 H +ATOM 7315 HD2 ARG 479 48.120 52.658 55.300 1.00 0.00 H +ATOM 7316 NE ARG 479 49.100 51.410 56.690 1.00 0.00 N +ATOM 7317 HE ARG 479 49.040 50.482 57.060 1.00 0.00 H +ATOM 7318 CZ ARG 479 50.040 51.990 57.380 1.00 0.00 C +ATOM 7319 NH1 ARG 479 50.690 53.050 57.000 1.00 0.00 N +ATOM 7320 1HH1 ARG 479 50.210 53.590 56.310 1.00 0.00 H +ATOM 7321 2HH1 ARG 479 51.288 53.478 57.678 1.00 0.00 H +ATOM 7322 NH2 ARG 479 50.500 51.370 58.450 1.00 0.00 N +ATOM 7323 1HH2 ARG 479 50.002 50.604 58.858 1.00 0.00 H +ATOM 7324 2HH2 ARG 479 51.330 51.700 58.900 1.00 0.00 H +ATOM 7325 C ARG 479 45.610 50.620 51.570 1.00 0.00 C +ATOM 7326 O ARG 479 44.450 50.450 51.930 1.00 0.00 O +ATOM 7327 N LEU 480 45.960 51.260 50.440 1.00 0.00 N +ATOM 7328 HN LEU 480 46.920 51.440 50.240 1.00 0.00 H +ATOM 7329 CA LEU 480 44.920 51.780 49.590 1.00 0.00 C +ATOM 7330 HA LEU 480 44.076 52.132 50.164 1.00 0.00 H +ATOM 7331 CB LEU 480 45.550 52.930 48.800 1.00 0.00 C +ATOM 7332 HB1 LEU 480 46.508 52.618 48.336 1.00 0.00 H +ATOM 7333 HB2 LEU 480 44.852 53.210 47.982 1.00 0.00 H +ATOM 7334 CG LEU 480 45.820 54.210 49.620 1.00 0.00 C +ATOM 7335 HG LEU 480 46.532 53.808 50.372 1.00 0.00 H +ATOM 7336 CD1 LEU 480 46.530 55.200 48.770 1.00 0.00 C +ATOM 7337 1HD1 LEU 480 46.670 56.168 49.298 1.00 0.00 H +ATOM 7338 2HD1 LEU 480 47.560 54.820 48.600 1.00 0.00 H +ATOM 7339 3HD1 LEU 480 46.100 55.430 47.772 1.00 0.00 H +ATOM 7340 CD2 LEU 480 44.570 54.820 50.350 1.00 0.00 C +ATOM 7341 1HD2 LEU 480 44.812 55.734 50.932 1.00 0.00 H +ATOM 7342 2HD2 LEU 480 43.762 55.050 49.622 1.00 0.00 H +ATOM 7343 3HD2 LEU 480 44.036 54.136 51.044 1.00 0.00 H +ATOM 7344 C LEU 480 44.350 50.770 48.650 1.00 0.00 C +ATOM 7345 O LEU 480 43.240 50.330 48.740 1.00 0.00 O +ATOM 7346 N ARG 481 45.180 50.240 47.710 1.00 0.00 N +ATOM 7347 HN ARG 481 46.170 50.300 47.600 1.00 0.00 H +ATOM 7348 CA ARG 481 44.670 49.270 46.740 1.00 0.00 C +ATOM 7349 HA ARG 481 43.910 49.690 46.100 1.00 0.00 H +ATOM 7350 CB ARG 481 45.930 48.980 45.870 1.00 0.00 C +ATOM 7351 HB1 ARG 481 46.682 48.418 46.462 1.00 0.00 H +ATOM 7352 HB2 ARG 481 45.648 48.294 45.044 1.00 0.00 H +ATOM 7353 CG ARG 481 46.610 50.180 45.160 1.00 0.00 C +ATOM 7354 HG1 ARG 481 45.998 50.570 44.318 1.00 0.00 H +ATOM 7355 HG2 ARG 481 46.790 50.990 45.900 1.00 0.00 H +ATOM 7356 CD ARG 481 47.960 49.810 44.530 1.00 0.00 C +ATOM 7357 HD1 ARG 481 48.512 50.692 44.140 1.00 0.00 H +ATOM 7358 HD2 ARG 481 48.696 49.482 45.296 1.00 0.00 H +ATOM 7359 NE ARG 481 47.740 48.660 43.590 1.00 0.00 N +ATOM 7360 HE ARG 481 47.340 47.788 43.870 1.00 0.00 H +ATOM 7361 CZ ARG 481 47.550 48.910 42.260 1.00 0.00 C +ATOM 7362 NH1 ARG 481 47.460 50.150 41.730 1.00 0.00 N +ATOM 7363 1HH1 ARG 481 47.942 50.822 42.292 1.00 0.00 H +ATOM 7364 2HH1 ARG 481 47.680 50.180 40.754 1.00 0.00 H +ATOM 7365 NH2 ARG 481 47.390 47.920 41.460 1.00 0.00 N +ATOM 7366 1HH2 ARG 481 47.510 46.948 41.660 1.00 0.00 H +ATOM 7367 2HH2 ARG 481 47.130 48.140 40.520 1.00 0.00 H +ATOM 7368 C ARG 481 44.270 47.920 47.350 1.00 0.00 C +ATOM 7369 O ARG 481 43.280 47.300 47.000 1.00 0.00 O +ATOM 7370 N GLY 482 45.110 47.310 48.270 1.00 0.00 N +ATOM 7371 HN GLY 482 45.904 47.742 48.692 1.00 0.00 H +ATOM 7372 CA GLY 482 44.880 45.980 48.730 1.00 0.00 C +ATOM 7373 HA1 GLY 482 44.380 45.410 47.960 1.00 0.00 H +ATOM 7374 HA2 GLY 482 45.818 45.582 49.090 1.00 0.00 H +ATOM 7375 C GLY 482 43.990 46.040 49.920 1.00 0.00 C +ATOM 7376 O GLY 482 43.420 45.020 50.330 1.00 0.00 O +ATOM 7377 N GLY 483 43.840 47.170 50.670 1.00 0.00 N +ATOM 7378 HN GLY 483 44.270 48.018 50.370 1.00 0.00 H +ATOM 7379 CA GLY 483 42.870 47.390 51.760 1.00 0.00 C +ATOM 7380 HA1 GLY 483 42.590 46.410 52.120 1.00 0.00 H +ATOM 7381 HA2 GLY 483 43.528 48.058 52.298 1.00 0.00 H +ATOM 7382 C GLY 483 41.610 48.080 51.490 1.00 0.00 C +ATOM 7383 O GLY 483 40.600 47.490 51.180 1.00 0.00 O +ATOM 7384 N LEU 484 41.620 49.430 51.500 1.00 0.00 N +ATOM 7385 HN LEU 484 42.494 49.862 51.710 1.00 0.00 H +ATOM 7386 CA LEU 484 40.460 50.330 51.270 1.00 0.00 C +ATOM 7387 HA LEU 484 39.820 50.360 52.140 1.00 0.00 H +ATOM 7388 CB LEU 484 41.030 51.740 51.180 1.00 0.00 C +ATOM 7389 HB1 LEU 484 41.320 52.040 52.210 1.00 0.00 H +ATOM 7390 HB2 LEU 484 41.896 51.690 50.484 1.00 0.00 H +ATOM 7391 CG LEU 484 40.150 52.890 50.630 1.00 0.00 C +ATOM 7392 HG LEU 484 39.468 52.650 49.788 1.00 0.00 H +ATOM 7393 CD1 LEU 484 39.190 53.420 51.690 1.00 0.00 C +ATOM 7394 1HD1 LEU 484 38.682 54.368 51.410 1.00 0.00 H +ATOM 7395 2HD1 LEU 484 38.364 52.746 52.002 1.00 0.00 H +ATOM 7396 3HD1 LEU 484 39.778 53.838 52.536 1.00 0.00 H +ATOM 7397 CD2 LEU 484 41.010 54.040 50.210 1.00 0.00 C +ATOM 7398 1HD2 LEU 484 41.630 53.890 49.300 1.00 0.00 H +ATOM 7399 2HD2 LEU 484 40.392 54.896 49.862 1.00 0.00 H +ATOM 7400 3HD2 LEU 484 41.666 54.308 51.066 1.00 0.00 H +ATOM 7401 C LEU 484 39.530 49.930 50.150 1.00 0.00 C +ATOM 7402 O LEU 484 38.320 49.720 50.310 1.00 0.00 O +ATOM 7403 N PHE 485 40.060 49.860 48.900 1.00 0.00 N +ATOM 7404 HN PHE 485 41.040 50.040 48.890 1.00 0.00 H +ATOM 7405 CA PHE 485 39.330 49.500 47.670 1.00 0.00 C +ATOM 7406 HA PHE 485 38.518 50.212 47.620 1.00 0.00 H +ATOM 7407 CB PHE 485 40.230 49.700 46.410 1.00 0.00 C +ATOM 7408 HB1 PHE 485 41.234 49.228 46.480 1.00 0.00 H +ATOM 7409 HB2 PHE 485 39.710 49.250 45.538 1.00 0.00 H +ATOM 7410 CG PHE 485 40.360 51.180 46.130 1.00 0.00 C +ATOM 7411 CD1 PHE 485 39.570 51.730 45.090 1.00 0.00 C +ATOM 7412 HD1 PHE 485 38.836 51.086 44.628 1.00 0.00 H +ATOM 7413 CE1 PHE 485 39.670 53.080 44.640 1.00 0.00 C +ATOM 7414 HE1 PHE 485 39.042 53.488 43.862 1.00 0.00 H +ATOM 7415 CZ PHE 485 40.370 53.960 45.420 1.00 0.00 C +ATOM 7416 HZ PHE 485 40.360 55.016 45.190 1.00 0.00 H +ATOM 7417 CD2 PHE 485 41.200 52.160 46.790 1.00 0.00 C +ATOM 7418 HD2 PHE 485 41.984 51.952 47.504 1.00 0.00 H +ATOM 7419 CE2 PHE 485 41.210 53.510 46.470 1.00 0.00 C +ATOM 7420 HE2 PHE 485 41.730 54.260 47.050 1.00 0.00 H +ATOM 7421 C PHE 485 38.690 48.140 47.740 1.00 0.00 C +ATOM 7422 O PHE 485 37.540 47.970 47.330 1.00 0.00 O +ATOM 7423 N GLU 486 39.350 47.160 48.290 1.00 0.00 N +ATOM 7424 HN GLU 486 40.306 47.340 48.510 1.00 0.00 H +ATOM 7425 CA GLU 486 38.880 45.790 48.240 1.00 0.00 C +ATOM 7426 HA GLU 486 38.462 45.660 47.252 1.00 0.00 H +ATOM 7427 CB GLU 486 39.940 44.700 48.300 1.00 0.00 C +ATOM 7428 HB1 GLU 486 40.452 44.850 49.274 1.00 0.00 H +ATOM 7429 HB2 GLU 486 39.468 43.708 48.460 1.00 0.00 H +ATOM 7430 CG GLU 486 40.930 44.490 47.190 1.00 0.00 C +ATOM 7431 HG1 GLU 486 41.778 45.198 47.060 1.00 0.00 H +ATOM 7432 HG2 GLU 486 41.362 43.496 47.432 1.00 0.00 H +ATOM 7433 CD GLU 486 40.130 44.360 45.880 1.00 0.00 C +ATOM 7434 OE1 GLU 486 40.090 45.340 45.110 1.00 0.00 O +ATOM 7435 OE2 GLU 486 39.570 43.240 45.640 1.00 0.00 O +ATOM 7436 C GLU 486 37.780 45.490 49.290 1.00 0.00 C +ATOM 7437 O GLU 486 36.950 44.630 49.140 1.00 0.00 O +ATOM 7438 N MET 487 37.810 46.290 50.440 1.00 0.00 N +ATOM 7439 HN MET 487 38.604 46.874 50.590 1.00 0.00 H +ATOM 7440 CA MET 487 36.820 46.390 51.520 1.00 0.00 C +ATOM 7441 HA MET 487 36.530 45.364 51.690 1.00 0.00 H +ATOM 7442 CB MET 487 37.440 46.870 52.920 1.00 0.00 C +ATOM 7443 HB1 MET 487 38.110 47.730 52.700 1.00 0.00 H +ATOM 7444 HB2 MET 487 36.624 47.162 53.614 1.00 0.00 H +ATOM 7445 CG MET 487 38.230 45.780 53.640 1.00 0.00 C +ATOM 7446 HG1 MET 487 37.520 44.980 53.940 1.00 0.00 H +ATOM 7447 HG2 MET 487 39.054 45.418 52.988 1.00 0.00 H +ATOM 7448 SD MET 487 38.850 46.380 55.240 1.00 0.00 S +ATOM 7449 CE MET 487 40.320 47.290 54.670 1.00 0.00 C +ATOM 7450 HE1 MET 487 40.822 47.822 55.504 1.00 0.00 H +ATOM 7451 HE2 MET 487 41.070 46.590 54.240 1.00 0.00 H +ATOM 7452 HE3 MET 487 40.068 48.034 53.886 1.00 0.00 H +ATOM 7453 C MET 487 35.530 47.180 51.220 1.00 0.00 C +ATOM 7454 O MET 487 34.470 46.810 51.630 1.00 0.00 O +ATOM 7455 N LEU 488 35.700 48.310 50.490 1.00 0.00 N +ATOM 7456 HN LEU 488 36.562 48.812 50.480 1.00 0.00 H +ATOM 7457 CA LEU 488 34.530 48.980 49.950 1.00 0.00 C +ATOM 7458 HA LEU 488 33.788 48.940 50.732 1.00 0.00 H +ATOM 7459 CB LEU 488 34.960 50.400 49.610 1.00 0.00 C +ATOM 7460 HB1 LEU 488 35.854 50.500 48.958 1.00 0.00 H +ATOM 7461 HB2 LEU 488 34.066 50.932 49.218 1.00 0.00 H +ATOM 7462 CG LEU 488 35.370 51.220 50.830 1.00 0.00 C +ATOM 7463 HG LEU 488 36.190 50.690 51.360 1.00 0.00 H +ATOM 7464 CD1 LEU 488 35.940 52.590 50.350 1.00 0.00 C +ATOM 7465 1HD1 LEU 488 37.010 52.530 50.060 1.00 0.00 H +ATOM 7466 2HD1 LEU 488 35.422 52.990 49.452 1.00 0.00 H +ATOM 7467 3HD1 LEU 488 35.800 53.446 51.046 1.00 0.00 H +ATOM 7468 CD2 LEU 488 34.230 51.370 51.830 1.00 0.00 C +ATOM 7469 1HD2 LEU 488 34.530 51.930 52.740 1.00 0.00 H +ATOM 7470 2HD2 LEU 488 33.460 52.060 51.420 1.00 0.00 H +ATOM 7471 3HD2 LEU 488 33.664 50.446 52.078 1.00 0.00 H +ATOM 7472 C LEU 488 34.020 48.250 48.710 1.00 0.00 C +ATOM 7473 O LEU 488 32.820 48.420 48.430 1.00 0.00 O +ATOM 7474 N THR 489 34.850 47.470 48.020 1.00 0.00 N +ATOM 7475 HN THR 489 35.824 47.440 48.228 1.00 0.00 H +ATOM 7476 CA THR 489 34.520 46.810 46.760 1.00 0.00 C +ATOM 7477 HA THR 489 35.458 46.352 46.480 1.00 0.00 H +ATOM 7478 CB THR 489 33.470 45.670 46.680 1.00 0.00 C +ATOM 7479 HB THR 489 33.170 45.460 45.630 1.00 0.00 H +ATOM 7480 OG1 THR 489 32.370 45.950 47.460 1.00 0.00 O +ATOM 7481 HG1 THR 489 32.360 46.894 47.630 1.00 0.00 H +ATOM 7482 CG2 THR 489 34.100 44.430 47.160 1.00 0.00 C +ATOM 7483 1HG2 THR 489 34.468 44.600 48.194 1.00 0.00 H +ATOM 7484 2HG2 THR 489 33.420 43.552 47.160 1.00 0.00 H +ATOM 7485 3HG2 THR 489 35.056 44.122 46.682 1.00 0.00 H +ATOM 7486 C THR 489 34.250 47.830 45.670 1.00 0.00 C +ATOM 7487 O THR 489 33.100 48.110 45.280 1.00 0.00 O +ATOM 7488 N ALA 490 35.330 48.490 45.210 1.00 0.00 N +ATOM 7489 HN ALA 490 36.290 48.260 45.350 1.00 0.00 H +ATOM 7490 CA ALA 490 35.280 49.500 44.180 1.00 0.00 C +ATOM 7491 HA ALA 490 34.324 49.350 43.702 1.00 0.00 H +ATOM 7492 CB ALA 490 35.320 50.970 44.670 1.00 0.00 C +ATOM 7493 HB1 ALA 490 34.512 51.120 45.418 1.00 0.00 H +ATOM 7494 HB2 ALA 490 36.318 51.130 45.130 1.00 0.00 H +ATOM 7495 HB3 ALA 490 35.052 51.598 43.794 1.00 0.00 H +ATOM 7496 C ALA 490 36.440 49.220 43.280 1.00 0.00 C +ATOM 7497 O ALA 490 37.420 48.550 43.570 1.00 0.00 O +ATOM 7498 N CYS 491 36.390 49.740 41.980 1.00 0.00 N +ATOM 7499 HN CYS 491 35.638 50.172 41.488 1.00 0.00 H +ATOM 7500 CA CYS 491 37.570 49.710 41.120 1.00 0.00 C +ATOM 7501 HA CYS 491 38.020 48.730 41.050 1.00 0.00 H +ATOM 7502 CB CYS 491 37.030 49.910 39.610 1.00 0.00 C +ATOM 7503 HB1 CYS 491 36.172 49.210 39.520 1.00 0.00 H +ATOM 7504 HB2 CYS 491 36.628 50.944 39.680 1.00 0.00 H +ATOM 7505 SG CYS 491 38.270 49.810 38.270 1.00 0.00 S +ATOM 7506 HG1 CYS 491 38.540 48.528 38.460 1.00 0.00 H +ATOM 7507 C CYS 491 38.620 50.750 41.410 1.00 0.00 C +ATOM 7508 O CYS 491 38.310 51.930 41.680 1.00 0.00 O +ATOM 7509 N ARG 492 39.880 50.350 41.640 1.00 0.00 N +ATOM 7510 HN ARG 492 40.050 49.370 41.710 1.00 0.00 H +ATOM 7511 CA ARG 492 41.040 51.230 41.950 1.00 0.00 C +ATOM 7512 HA ARG 492 40.838 51.916 42.758 1.00 0.00 H +ATOM 7513 CB ARG 492 42.200 50.350 42.480 1.00 0.00 C +ATOM 7514 HB1 ARG 492 43.114 50.936 42.718 1.00 0.00 H +ATOM 7515 HB2 ARG 492 41.850 49.820 43.390 1.00 0.00 H +ATOM 7516 CG ARG 492 42.510 49.100 41.480 1.00 0.00 C +ATOM 7517 HG1 ARG 492 41.640 48.410 41.450 1.00 0.00 H +ATOM 7518 HG2 ARG 492 42.838 49.338 40.446 1.00 0.00 H +ATOM 7519 CD ARG 492 43.750 48.300 41.920 1.00 0.00 C +ATOM 7520 HD1 ARG 492 44.638 48.968 41.910 1.00 0.00 H +ATOM 7521 HD2 ARG 492 43.670 47.788 42.902 1.00 0.00 H +ATOM 7522 NE ARG 492 44.010 47.200 40.970 1.00 0.00 N +ATOM 7523 HE ARG 492 44.692 47.370 40.258 1.00 0.00 H +ATOM 7524 CZ ARG 492 43.390 46.060 40.910 1.00 0.00 C +ATOM 7525 NH1 ARG 492 42.380 45.740 41.710 1.00 0.00 N +ATOM 7526 1HH1 ARG 492 42.380 46.242 42.574 1.00 0.00 H +ATOM 7527 2HH1 ARG 492 42.110 44.790 41.550 1.00 0.00 H +ATOM 7528 NH2 ARG 492 43.790 45.140 40.020 1.00 0.00 N +ATOM 7529 1HH2 ARG 492 44.558 45.210 39.382 1.00 0.00 H +ATOM 7530 2HH2 ARG 492 43.242 44.304 40.040 1.00 0.00 H +ATOM 7531 C ARG 492 41.510 52.180 40.880 1.00 0.00 C +ATOM 7532 O ARG 492 42.000 53.280 41.160 1.00 0.00 O +ATOM 7533 N LEU 493 41.190 51.860 39.550 1.00 0.00 N +ATOM 7534 HN LEU 493 40.710 51.020 39.310 1.00 0.00 H +ATOM 7535 CA LEU 493 41.550 52.640 38.380 1.00 0.00 C +ATOM 7536 HA LEU 493 42.602 52.888 38.390 1.00 0.00 H +ATOM 7537 CB LEU 493 41.120 51.890 37.090 1.00 0.00 C +ATOM 7538 HB1 LEU 493 40.026 51.850 37.280 1.00 0.00 H +ATOM 7539 HB2 LEU 493 41.402 52.514 36.216 1.00 0.00 H +ATOM 7540 CG LEU 493 41.560 50.460 37.010 1.00 0.00 C +ATOM 7541 HG LEU 493 41.108 49.816 37.794 1.00 0.00 H +ATOM 7542 CD1 LEU 493 41.110 49.840 35.670 1.00 0.00 C +ATOM 7543 1HD1 LEU 493 41.478 50.418 34.794 1.00 0.00 H +ATOM 7544 2HD1 LEU 493 41.592 48.858 35.480 1.00 0.00 H +ATOM 7545 3HD1 LEU 493 40.002 49.800 35.750 1.00 0.00 H +ATOM 7546 CD2 LEU 493 43.070 50.340 37.070 1.00 0.00 C +ATOM 7547 1HD2 LEU 493 43.428 49.304 37.250 1.00 0.00 H +ATOM 7548 2HD2 LEU 493 43.612 50.632 36.146 1.00 0.00 H +ATOM 7549 3HD2 LEU 493 43.440 50.940 37.930 1.00 0.00 H +ATOM 7550 C LEU 493 41.020 54.110 38.250 1.00 0.00 C +ATOM 7551 O LEU 493 41.800 54.880 37.780 1.00 0.00 O +ATOM 7552 N PRO 494 39.860 54.580 38.670 1.00 0.00 N +ATOM 7553 CD PRO 494 38.660 53.830 39.080 1.00 0.00 C +ATOM 7554 HD1 PRO 494 38.780 53.680 40.174 1.00 0.00 H +ATOM 7555 HD2 PRO 494 38.690 52.902 38.470 1.00 0.00 H +ATOM 7556 CA PRO 494 39.600 56.010 38.680 1.00 0.00 C +ATOM 7557 HA PRO 494 39.640 56.420 37.682 1.00 0.00 H +ATOM 7558 CB PRO 494 38.210 56.200 39.060 1.00 0.00 C +ATOM 7559 HB1 PRO 494 38.120 56.280 40.164 1.00 0.00 H +ATOM 7560 HB2 PRO 494 37.640 57.070 38.670 1.00 0.00 H +ATOM 7561 CG PRO 494 37.600 54.770 38.780 1.00 0.00 C +ATOM 7562 HG1 PRO 494 36.656 54.580 39.332 1.00 0.00 H +ATOM 7563 HG2 PRO 494 37.400 54.670 37.692 1.00 0.00 H +ATOM 7564 C PRO 494 40.580 56.800 39.520 1.00 0.00 C +ATOM 7565 O PRO 494 41.100 57.890 39.140 1.00 0.00 O +ATOM 7566 N TRP 495 40.940 56.340 40.720 1.00 0.00 N +ATOM 7567 HN TRP 495 40.500 55.560 41.160 1.00 0.00 H +ATOM 7568 CA TRP 495 42.160 56.850 41.320 1.00 0.00 C +ATOM 7569 HA TRP 495 42.010 57.916 41.390 1.00 0.00 H +ATOM 7570 CB TRP 495 42.100 56.450 42.860 1.00 0.00 C +ATOM 7571 HB1 TRP 495 41.338 57.100 43.340 1.00 0.00 H +ATOM 7572 HB2 TRP 495 41.770 55.392 42.930 1.00 0.00 H +ATOM 7573 CG TRP 495 43.370 56.470 43.590 1.00 0.00 C +ATOM 7574 CD1 TRP 495 44.110 57.620 43.840 1.00 0.00 C +ATOM 7575 HD1 TRP 495 43.810 58.632 43.610 1.00 0.00 H +ATOM 7576 NE1 TRP 495 45.330 57.310 44.450 1.00 0.00 N +ATOM 7577 HE1 TRP 495 46.038 57.960 44.620 1.00 0.00 H +ATOM 7578 CE2 TRP 495 45.360 55.950 44.700 1.00 0.00 C +ATOM 7579 CD2 TRP 495 44.180 55.370 44.110 1.00 0.00 C +ATOM 7580 CE3 TRP 495 43.930 54.000 44.290 1.00 0.00 C +ATOM 7581 HE3 TRP 495 43.032 53.560 43.880 1.00 0.00 H +ATOM 7582 CZ3 TRP 495 44.830 53.200 45.000 1.00 0.00 C +ATOM 7583 HZ3 TRP 495 44.760 52.122 45.020 1.00 0.00 H +ATOM 7584 CZ2 TRP 495 46.310 55.090 45.280 1.00 0.00 C +ATOM 7585 HZ2 TRP 495 47.234 55.422 45.732 1.00 0.00 H +ATOM 7586 CH2 TRP 495 46.040 53.710 45.510 1.00 0.00 C +ATOM 7587 HH2 TRP 495 46.840 53.140 45.960 1.00 0.00 H +ATOM 7588 C TRP 495 43.540 56.700 40.650 1.00 0.00 C +ATOM 7589 O TRP 495 44.250 57.670 40.370 1.00 0.00 O +ATOM 7590 N VAL 496 43.940 55.460 40.340 1.00 0.00 N +ATOM 7591 HN VAL 496 43.312 54.722 40.570 1.00 0.00 H +ATOM 7592 CA VAL 496 45.270 55.090 39.820 1.00 0.00 C +ATOM 7593 HA VAL 496 45.992 55.480 40.522 1.00 0.00 H +ATOM 7594 CB VAL 496 45.500 53.600 39.550 1.00 0.00 C +ATOM 7595 HB VAL 496 44.790 53.170 38.810 1.00 0.00 H +ATOM 7596 CG1 VAL 496 46.900 53.320 39.080 1.00 0.00 C +ATOM 7597 1HG1 VAL 496 47.090 53.790 38.090 1.00 0.00 H +ATOM 7598 2HG1 VAL 496 47.602 53.820 39.782 1.00 0.00 H +ATOM 7599 3HG1 VAL 496 47.030 52.218 39.040 1.00 0.00 H +ATOM 7600 CG2 VAL 496 45.350 52.850 40.900 1.00 0.00 C +ATOM 7601 1HG2 VAL 496 46.028 53.388 41.598 1.00 0.00 H +ATOM 7602 2HG2 VAL 496 44.376 52.830 41.432 1.00 0.00 H +ATOM 7603 3HG2 VAL 496 45.570 51.768 40.770 1.00 0.00 H +ATOM 7604 C VAL 496 45.530 55.820 38.500 1.00 0.00 C +ATOM 7605 O VAL 496 46.640 56.370 38.340 1.00 0.00 O +ATOM 7606 N GLU 497 44.570 55.860 37.570 1.00 0.00 N +ATOM 7607 HN GLU 497 43.682 55.790 38.018 1.00 0.00 H +ATOM 7608 CA GLU 497 44.820 56.170 36.180 1.00 0.00 C +ATOM 7609 HA GLU 497 45.882 56.260 36.010 1.00 0.00 H +ATOM 7610 CB GLU 497 44.100 55.100 35.200 1.00 0.00 C +ATOM 7611 HB1 GLU 497 43.002 55.220 35.320 1.00 0.00 H +ATOM 7612 HB2 GLU 497 44.402 55.200 34.136 1.00 0.00 H +ATOM 7613 CG GLU 497 44.360 53.560 35.540 1.00 0.00 C +ATOM 7614 HG1 GLU 497 44.230 53.350 36.622 1.00 0.00 H +ATOM 7615 HG2 GLU 497 43.590 53.000 34.970 1.00 0.00 H +ATOM 7616 CD GLU 497 45.820 53.060 35.110 1.00 0.00 C +ATOM 7617 OE1 GLU 497 46.300 52.030 35.670 1.00 0.00 O +ATOM 7618 OE2 GLU 497 46.360 53.640 34.180 1.00 0.00 O +ATOM 7619 C GLU 497 44.370 57.570 35.820 1.00 0.00 C +ATOM 7620 O GLU 497 45.090 58.270 35.240 1.00 0.00 O +ATOM 7621 N VAL 498 43.200 58.050 36.200 1.00 0.00 N +ATOM 7622 HN VAL 498 42.560 57.510 36.740 1.00 0.00 H +ATOM 7623 CA VAL 498 42.790 59.430 35.770 1.00 0.00 C +ATOM 7624 HA VAL 498 43.448 59.828 35.012 1.00 0.00 H +ATOM 7625 CB VAL 498 41.410 59.460 35.150 1.00 0.00 C +ATOM 7626 HB VAL 498 41.190 60.496 34.812 1.00 0.00 H +ATOM 7627 CG1 VAL 498 41.270 58.680 33.850 1.00 0.00 C +ATOM 7628 1HG1 VAL 498 40.210 58.480 33.580 1.00 0.00 H +ATOM 7629 2HG1 VAL 498 41.750 59.280 33.048 1.00 0.00 H +ATOM 7630 3HG1 VAL 498 41.722 57.666 33.840 1.00 0.00 H +ATOM 7631 CG2 VAL 498 40.390 58.920 36.160 1.00 0.00 C +ATOM 7632 1HG2 VAL 498 39.332 59.030 35.840 1.00 0.00 H +ATOM 7633 2HG2 VAL 498 40.500 57.844 36.418 1.00 0.00 H +ATOM 7634 3HG2 VAL 498 40.530 59.420 37.142 1.00 0.00 H +ATOM 7635 C VAL 498 42.850 60.380 36.890 1.00 0.00 C +ATOM 7636 O VAL 498 42.510 61.550 36.700 1.00 0.00 O +ATOM 7637 N GLY 499 43.370 59.910 38.020 1.00 0.00 N +ATOM 7638 HN GLY 499 43.520 58.930 38.130 1.00 0.00 H +ATOM 7639 CA GLY 499 43.800 60.730 39.120 1.00 0.00 C +ATOM 7640 HA1 GLY 499 44.446 60.104 39.716 1.00 0.00 H +ATOM 7641 HA2 GLY 499 44.312 61.592 38.718 1.00 0.00 H +ATOM 7642 C GLY 499 42.780 61.300 39.980 1.00 0.00 C +ATOM 7643 O GLY 499 42.970 62.360 40.580 1.00 0.00 O +ATOM 7644 N LEU 500 41.600 60.690 40.150 1.00 0.00 N +ATOM 7645 HN LEU 500 41.520 59.736 39.870 1.00 0.00 H +ATOM 7646 CA LEU 500 40.540 61.190 40.980 1.00 0.00 C +ATOM 7647 HA LEU 500 40.238 62.114 40.508 1.00 0.00 H +ATOM 7648 CB LEU 500 39.470 60.120 40.890 1.00 0.00 C +ATOM 7649 HB1 LEU 500 39.260 59.842 39.834 1.00 0.00 H +ATOM 7650 HB2 LEU 500 39.832 59.262 41.494 1.00 0.00 H +ATOM 7651 CG LEU 500 38.140 60.470 41.600 1.00 0.00 C +ATOM 7652 HG LEU 500 38.360 60.680 42.668 1.00 0.00 H +ATOM 7653 CD1 LEU 500 37.460 61.740 41.000 1.00 0.00 C +ATOM 7654 1HD1 LEU 500 37.530 61.720 39.892 1.00 0.00 H +ATOM 7655 2HD1 LEU 500 36.394 61.750 41.312 1.00 0.00 H +ATOM 7656 3HD1 LEU 500 37.958 62.678 41.330 1.00 0.00 H +ATOM 7657 CD2 LEU 500 37.230 59.290 41.530 1.00 0.00 C +ATOM 7658 1HD2 LEU 500 36.950 59.100 40.472 1.00 0.00 H +ATOM 7659 2HD2 LEU 500 37.712 58.378 41.942 1.00 0.00 H +ATOM 7660 3HD2 LEU 500 36.248 59.490 42.010 1.00 0.00 H +ATOM 7661 C LEU 500 41.000 61.260 42.460 1.00 0.00 C +ATOM 7662 O LEU 500 41.660 60.300 42.920 1.00 0.00 O +ATOM 7663 N SER 501 40.720 62.330 43.190 1.00 0.00 N +ATOM 7664 HN SER 501 40.170 63.060 42.790 1.00 0.00 H +ATOM 7665 CA SER 501 41.100 62.490 44.630 1.00 0.00 C +ATOM 7666 HA SER 501 42.170 62.630 44.680 1.00 0.00 H +ATOM 7667 CB SER 501 40.470 63.820 45.250 1.00 0.00 C +ATOM 7668 HB1 SER 501 40.660 64.652 44.538 1.00 0.00 H +ATOM 7669 HB2 SER 501 39.368 63.740 45.370 1.00 0.00 H +ATOM 7670 OG SER 501 41.030 64.110 46.530 1.00 0.00 O +ATOM 7671 HG1 SER 501 41.936 64.358 46.330 1.00 0.00 H +ATOM 7672 C SER 501 40.640 61.290 45.540 1.00 0.00 C +ATOM 7673 O SER 501 39.580 60.790 45.550 1.00 0.00 O +ATOM 7674 N LEU 502 41.540 60.850 46.460 1.00 0.00 N +ATOM 7675 HN LEU 502 42.428 61.298 46.530 1.00 0.00 H +ATOM 7676 CA LEU 502 41.280 59.820 47.440 1.00 0.00 C +ATOM 7677 HA LEU 502 40.790 59.050 46.860 1.00 0.00 H +ATOM 7678 CB LEU 502 42.520 59.390 48.140 1.00 0.00 C +ATOM 7679 HB1 LEU 502 43.134 60.292 48.348 1.00 0.00 H +ATOM 7680 HB2 LEU 502 42.440 59.000 49.178 1.00 0.00 H +ATOM 7681 CG LEU 502 43.320 58.390 47.290 1.00 0.00 C +ATOM 7682 HG LEU 502 43.250 58.620 46.206 1.00 0.00 H +ATOM 7683 CD1 LEU 502 44.760 58.520 47.760 1.00 0.00 C +ATOM 7684 1HD1 LEU 502 45.348 57.744 47.222 1.00 0.00 H +ATOM 7685 2HD1 LEU 502 45.220 59.528 47.680 1.00 0.00 H +ATOM 7686 3HD1 LEU 502 44.720 58.280 48.844 1.00 0.00 H +ATOM 7687 CD2 LEU 502 42.860 56.940 47.540 1.00 0.00 C +ATOM 7688 1HD2 LEU 502 43.518 56.202 47.032 1.00 0.00 H +ATOM 7689 2HD2 LEU 502 42.730 56.588 48.586 1.00 0.00 H +ATOM 7690 3HD2 LEU 502 41.868 56.920 47.040 1.00 0.00 H +ATOM 7691 C LEU 502 40.220 60.300 48.480 1.00 0.00 C +ATOM 7692 O LEU 502 39.480 59.550 49.050 1.00 0.00 O +ATOM 7693 N ASP 503 40.090 61.620 48.710 1.00 0.00 N +ATOM 7694 HN ASP 503 40.708 62.188 48.172 1.00 0.00 H +ATOM 7695 CA ASP 503 39.280 62.220 49.790 1.00 0.00 C +ATOM 7696 HA ASP 503 39.460 61.670 50.702 1.00 0.00 H +ATOM 7697 CB ASP 503 39.690 63.690 50.010 1.00 0.00 C +ATOM 7698 HB1 ASP 503 39.580 64.330 49.110 1.00 0.00 H +ATOM 7699 HB2 ASP 503 39.028 64.182 50.754 1.00 0.00 H +ATOM 7700 CG ASP 503 41.110 63.810 50.550 1.00 0.00 C +ATOM 7701 OD1 ASP 503 41.480 63.010 51.450 1.00 0.00 O +ATOM 7702 OD2 ASP 503 41.740 64.830 50.180 1.00 0.00 O +ATOM 7703 C ASP 503 37.810 62.110 49.470 1.00 0.00 C +ATOM 7704 O ASP 503 36.990 62.460 50.340 1.00 0.00 O +ATOM 7705 N TYR 504 37.500 61.640 48.270 1.00 0.00 N +ATOM 7706 HN TYR 504 38.188 61.302 47.632 1.00 0.00 H +ATOM 7707 CA TYR 504 36.090 61.370 47.960 1.00 0.00 C +ATOM 7708 HA TYR 504 35.602 62.206 48.438 1.00 0.00 H +ATOM 7709 CB TYR 504 35.830 61.180 46.400 1.00 0.00 C +ATOM 7710 HB1 TYR 504 36.580 60.480 45.970 1.00 0.00 H +ATOM 7711 HB2 TYR 504 34.832 60.720 46.240 1.00 0.00 H +ATOM 7712 CG TYR 504 35.850 62.420 45.640 1.00 0.00 C +ATOM 7713 CD1 TYR 504 34.930 63.430 45.960 1.00 0.00 C +ATOM 7714 HD1 TYR 504 34.246 63.390 46.794 1.00 0.00 H +ATOM 7715 CE1 TYR 504 35.040 64.630 45.270 1.00 0.00 C +ATOM 7716 HE1 TYR 504 34.442 65.486 45.548 1.00 0.00 H +ATOM 7717 CZ TYR 504 35.950 64.800 44.220 1.00 0.00 C +ATOM 7718 OH TYR 504 36.120 65.950 43.470 1.00 0.00 O +ATOM 7719 HH TYR 504 36.798 65.740 42.822 1.00 0.00 H +ATOM 7720 CD2 TYR 504 36.740 62.540 44.590 1.00 0.00 C +ATOM 7721 HD2 TYR 504 37.312 61.678 44.280 1.00 0.00 H +ATOM 7722 CE2 TYR 504 36.820 63.700 43.840 1.00 0.00 C +ATOM 7723 HE2 TYR 504 37.558 63.710 43.052 1.00 0.00 H +ATOM 7724 C TYR 504 35.560 60.150 48.700 1.00 0.00 C +ATOM 7725 O TYR 504 34.430 60.090 49.170 1.00 0.00 O +ATOM 7726 N TYR 505 36.420 59.110 48.780 1.00 0.00 N +ATOM 7727 HN TYR 505 37.338 59.292 48.438 1.00 0.00 H +ATOM 7728 CA TYR 505 36.100 57.780 49.320 1.00 0.00 C +ATOM 7729 HA TYR 505 35.228 57.570 48.718 1.00 0.00 H +ATOM 7730 CB TYR 505 37.220 56.750 48.970 1.00 0.00 C +ATOM 7731 HB1 TYR 505 38.228 57.040 49.340 1.00 0.00 H +ATOM 7732 HB2 TYR 505 37.048 55.734 49.382 1.00 0.00 H +ATOM 7733 CG TYR 505 37.270 56.530 47.490 1.00 0.00 C +ATOM 7734 CD1 TYR 505 36.620 55.450 46.860 1.00 0.00 C +ATOM 7735 HD1 TYR 505 36.024 54.764 47.446 1.00 0.00 H +ATOM 7736 CE1 TYR 505 36.870 55.260 45.500 1.00 0.00 C +ATOM 7737 HE1 TYR 505 36.520 54.352 45.030 1.00 0.00 H +ATOM 7738 CZ TYR 505 37.510 56.200 44.700 1.00 0.00 C +ATOM 7739 OH TYR 505 37.610 55.990 43.360 1.00 0.00 O +ATOM 7740 HH TYR 505 36.978 55.296 43.160 1.00 0.00 H +ATOM 7741 CD2 TYR 505 38.020 57.410 46.680 1.00 0.00 C +ATOM 7742 HD2 TYR 505 38.442 58.314 47.092 1.00 0.00 H +ATOM 7743 CE2 TYR 505 37.990 57.370 45.310 1.00 0.00 C +ATOM 7744 HE2 TYR 505 38.542 58.092 44.728 1.00 0.00 H +ATOM 7745 C TYR 505 35.640 57.720 50.810 1.00 0.00 C +ATOM 7746 O TYR 505 34.690 57.050 51.090 1.00 0.00 O +ATOM 7747 N PRO 506 36.280 58.340 51.800 1.00 0.00 N +ATOM 7748 CD PRO 506 37.570 58.880 51.720 1.00 0.00 C +ATOM 7749 HD1 PRO 506 37.480 59.840 51.170 1.00 0.00 H +ATOM 7750 HD2 PRO 506 38.296 58.144 51.312 1.00 0.00 H +ATOM 7751 CA PRO 506 35.760 58.560 53.140 1.00 0.00 C +ATOM 7752 HA PRO 506 35.530 57.566 53.492 1.00 0.00 H +ATOM 7753 CB PRO 506 36.910 59.180 53.950 1.00 0.00 C +ATOM 7754 HB1 PRO 506 36.610 60.102 54.492 1.00 0.00 H +ATOM 7755 HB2 PRO 506 37.200 58.392 54.678 1.00 0.00 H +ATOM 7756 CG PRO 506 38.130 59.360 53.110 1.00 0.00 C +ATOM 7757 HG1 PRO 506 38.478 60.414 53.050 1.00 0.00 H +ATOM 7758 HG2 PRO 506 38.994 58.698 53.330 1.00 0.00 H +ATOM 7759 C PRO 506 34.490 59.350 53.240 1.00 0.00 C +ATOM 7760 O PRO 506 33.710 59.020 54.080 1.00 0.00 O +ATOM 7761 N LYS 507 34.270 60.450 52.430 1.00 0.00 N +ATOM 7762 HN LYS 507 34.918 60.690 51.712 1.00 0.00 H +ATOM 7763 CA LYS 507 33.000 61.220 52.300 1.00 0.00 C +ATOM 7764 HA LYS 507 32.702 61.398 53.324 1.00 0.00 H +ATOM 7765 CB LYS 507 33.250 62.570 51.500 1.00 0.00 C +ATOM 7766 HB1 LYS 507 33.470 62.220 50.470 1.00 0.00 H +ATOM 7767 HB2 LYS 507 32.276 63.106 51.490 1.00 0.00 H +ATOM 7768 CG LYS 507 34.350 63.410 52.050 1.00 0.00 C +ATOM 7769 HG1 LYS 507 33.910 63.780 53.000 1.00 0.00 H +ATOM 7770 HG2 LYS 507 35.232 62.748 52.190 1.00 0.00 H +ATOM 7771 CD LYS 507 34.610 64.620 51.130 1.00 0.00 C +ATOM 7772 HD1 LYS 507 34.860 64.238 50.118 1.00 0.00 H +ATOM 7773 HD2 LYS 507 33.700 65.250 51.040 1.00 0.00 H +ATOM 7774 CE LYS 507 35.720 65.510 51.580 1.00 0.00 C +ATOM 7775 HE1 LYS 507 35.640 65.912 52.612 1.00 0.00 H +ATOM 7776 HE2 LYS 507 36.636 64.886 51.510 1.00 0.00 H +ATOM 7777 NZ LYS 507 35.930 66.620 50.680 1.00 0.00 N +ATOM 7778 HZ1 LYS 507 36.938 66.860 50.600 1.00 0.00 H +ATOM 7779 HZ2 LYS 507 35.592 66.212 49.784 1.00 0.00 H +ATOM 7780 HZ3 LYS 507 35.282 67.398 50.920 1.00 0.00 H +ATOM 7781 C LYS 507 31.850 60.320 51.690 1.00 0.00 C +ATOM 7782 O LYS 507 30.760 60.200 52.240 1.00 0.00 O +ATOM 7783 N LEU 508 32.030 59.570 50.590 1.00 0.00 N +ATOM 7784 HN LEU 508 32.892 59.770 50.130 1.00 0.00 H +ATOM 7785 CA LEU 508 31.110 58.570 50.030 1.00 0.00 C +ATOM 7786 HA LEU 508 30.218 59.160 49.880 1.00 0.00 H +ATOM 7787 CB LEU 508 31.680 57.840 48.860 1.00 0.00 C +ATOM 7788 HB1 LEU 508 32.728 57.560 49.100 1.00 0.00 H +ATOM 7789 HB2 LEU 508 31.100 56.900 48.750 1.00 0.00 H +ATOM 7790 CG LEU 508 31.590 58.530 47.490 1.00 0.00 C +ATOM 7791 HG LEU 508 32.294 59.384 47.590 1.00 0.00 H +ATOM 7792 CD1 LEU 508 32.110 57.660 46.290 1.00 0.00 C +ATOM 7793 1HD1 LEU 508 31.570 56.690 46.240 1.00 0.00 H +ATOM 7794 2HD1 LEU 508 31.952 58.176 45.318 1.00 0.00 H +ATOM 7795 3HD1 LEU 508 33.180 57.420 46.460 1.00 0.00 H +ATOM 7796 CD2 LEU 508 30.140 58.970 47.200 1.00 0.00 C +ATOM 7797 1HD2 LEU 508 29.520 58.100 46.900 1.00 0.00 H +ATOM 7798 2HD2 LEU 508 29.642 59.378 48.106 1.00 0.00 H +ATOM 7799 3HD2 LEU 508 29.990 59.692 46.368 1.00 0.00 H +ATOM 7800 C LEU 508 30.810 57.450 51.070 1.00 0.00 C +ATOM 7801 O LEU 508 29.620 57.040 51.230 1.00 0.00 O +ATOM 7802 N LEU 509 31.840 56.880 51.760 1.00 0.00 N +ATOM 7803 HN LEU 509 32.742 57.230 51.520 1.00 0.00 H +ATOM 7804 CA LEU 509 31.730 55.870 52.820 1.00 0.00 C +ATOM 7805 HA LEU 509 31.150 55.050 52.420 1.00 0.00 H +ATOM 7806 CB LEU 509 33.150 55.430 53.350 1.00 0.00 C +ATOM 7807 HB1 LEU 509 33.660 54.940 52.492 1.00 0.00 H +ATOM 7808 HB2 LEU 509 33.652 56.386 53.612 1.00 0.00 H +ATOM 7809 CG LEU 509 33.270 54.340 54.490 1.00 0.00 C +ATOM 7810 HG LEU 509 32.884 54.846 55.402 1.00 0.00 H +ATOM 7811 CD1 LEU 509 32.320 53.130 54.220 1.00 0.00 C +ATOM 7812 1HD1 LEU 509 32.330 52.900 53.132 1.00 0.00 H +ATOM 7813 2HD1 LEU 509 32.490 52.422 55.058 1.00 0.00 H +ATOM 7814 3HD1 LEU 509 31.260 53.390 54.430 1.00 0.00 H +ATOM 7815 CD2 LEU 509 34.710 53.730 54.710 1.00 0.00 C +ATOM 7816 1HD2 LEU 509 35.298 54.378 55.396 1.00 0.00 H +ATOM 7817 2HD2 LEU 509 34.790 52.658 54.990 1.00 0.00 H +ATOM 7818 3HD2 LEU 509 35.270 53.850 53.758 1.00 0.00 H +ATOM 7819 C LEU 509 30.920 56.450 54.020 1.00 0.00 C +ATOM 7820 O LEU 509 29.940 55.910 54.460 1.00 0.00 O +ATOM 7821 N LYS 510 31.270 57.710 54.440 1.00 0.00 N +ATOM 7822 HN LYS 510 31.954 58.242 53.948 1.00 0.00 H +ATOM 7823 CA LYS 510 30.420 58.420 55.410 1.00 0.00 C +ATOM 7824 HA LYS 510 30.310 57.850 56.320 1.00 0.00 H +ATOM 7825 CB LYS 510 31.120 59.730 55.920 1.00 0.00 C +ATOM 7826 HB1 LYS 510 31.992 59.348 56.492 1.00 0.00 H +ATOM 7827 HB2 LYS 510 31.480 60.180 54.970 1.00 0.00 H +ATOM 7828 CG LYS 510 30.280 60.760 56.700 1.00 0.00 C +ATOM 7829 HG1 LYS 510 29.528 61.292 56.078 1.00 0.00 H +ATOM 7830 HG2 LYS 510 29.622 60.252 57.438 1.00 0.00 H +ATOM 7831 CD LYS 510 31.120 61.790 57.470 1.00 0.00 C +ATOM 7832 HD1 LYS 510 31.728 61.112 58.108 1.00 0.00 H +ATOM 7833 HD2 LYS 510 31.788 62.350 56.782 1.00 0.00 H +ATOM 7834 CE LYS 510 30.320 62.820 58.280 1.00 0.00 C +ATOM 7835 HE1 LYS 510 29.850 63.590 57.630 1.00 0.00 H +ATOM 7836 HE2 LYS 510 29.478 62.328 58.812 1.00 0.00 H +ATOM 7837 NZ LYS 510 31.130 63.400 59.340 1.00 0.00 N +ATOM 7838 HZ1 LYS 510 31.982 63.922 59.050 1.00 0.00 H +ATOM 7839 HZ2 LYS 510 30.560 63.980 59.990 1.00 0.00 H +ATOM 7840 HZ3 LYS 510 31.460 62.602 59.920 1.00 0.00 H +ATOM 7841 C LYS 510 28.940 58.670 55.170 1.00 0.00 C +ATOM 7842 O LYS 510 28.100 58.400 56.050 1.00 0.00 O +ATOM 7843 N ALA 511 28.660 59.130 53.940 1.00 0.00 N +ATOM 7844 HN ALA 511 29.450 59.390 53.390 1.00 0.00 H +ATOM 7845 CA ALA 511 27.300 59.340 53.460 1.00 0.00 C +ATOM 7846 HA ALA 511 26.840 60.088 54.088 1.00 0.00 H +ATOM 7847 CB ALA 511 27.480 59.980 52.000 1.00 0.00 C +ATOM 7848 HB1 ALA 511 28.234 59.468 51.366 1.00 0.00 H +ATOM 7849 HB2 ALA 511 26.514 60.100 51.462 1.00 0.00 H +ATOM 7850 HB3 ALA 511 27.920 61.000 52.050 1.00 0.00 H +ATOM 7851 C ALA 511 26.430 58.110 53.420 1.00 0.00 C +ATOM 7852 O ALA 511 25.270 58.100 53.860 1.00 0.00 O +ATOM 7853 N ILE 512 26.970 56.930 52.910 1.00 0.00 N +ATOM 7854 HN ILE 512 27.856 57.020 52.462 1.00 0.00 H +ATOM 7855 CA ILE 512 26.530 55.580 52.970 1.00 0.00 C +ATOM 7856 HA ILE 512 25.558 55.600 52.500 1.00 0.00 H +ATOM 7857 CB ILE 512 27.410 54.540 52.190 1.00 0.00 C +ATOM 7858 HB ILE 512 28.420 54.490 52.650 1.00 0.00 H +ATOM 7859 CG2 ILE 512 26.760 53.150 52.250 1.00 0.00 C +ATOM 7860 1HG2 ILE 512 25.698 53.280 51.950 1.00 0.00 H +ATOM 7861 2HG2 ILE 512 27.230 52.408 51.570 1.00 0.00 H +ATOM 7862 3HG2 ILE 512 26.800 52.770 53.292 1.00 0.00 H +ATOM 7863 CG1 ILE 512 27.570 54.890 50.690 1.00 0.00 C +ATOM 7864 1HG1 ILE 512 26.630 54.630 50.160 1.00 0.00 H +ATOM 7865 2HG1 ILE 512 27.600 55.990 50.530 1.00 0.00 H +ATOM 7866 CD ILE 512 28.800 54.200 50.010 1.00 0.00 C +ATOM 7867 HD1 ILE 512 28.960 53.140 50.300 1.00 0.00 H +ATOM 7868 HD2 ILE 512 28.670 54.410 48.928 1.00 0.00 H +ATOM 7869 HD3 ILE 512 29.720 54.750 50.300 1.00 0.00 H +ATOM 7870 C ILE 512 26.280 55.040 54.360 1.00 0.00 C +ATOM 7871 O ILE 512 25.220 54.500 54.610 1.00 0.00 O +ATOM 7872 N THR 513 27.260 55.190 55.290 1.00 0.00 N +ATOM 7873 HN THR 513 28.000 55.770 54.960 1.00 0.00 H +ATOM 7874 CA THR 513 27.240 54.400 56.580 1.00 0.00 C +ATOM 7875 HA THR 513 26.570 53.560 56.470 1.00 0.00 H +ATOM 7876 CB THR 513 28.600 53.800 56.960 1.00 0.00 C +ATOM 7877 HB THR 513 28.510 53.298 57.946 1.00 0.00 H +ATOM 7878 OG1 THR 513 29.600 54.770 56.890 1.00 0.00 O +ATOM 7879 HG1 THR 513 29.530 55.158 56.014 1.00 0.00 H +ATOM 7880 CG2 THR 513 29.000 52.620 56.060 1.00 0.00 C +ATOM 7881 1HG2 THR 513 29.050 52.910 54.988 1.00 0.00 H +ATOM 7882 2HG2 THR 513 29.994 52.148 56.210 1.00 0.00 H +ATOM 7883 3HG2 THR 513 28.258 51.808 56.220 1.00 0.00 H +ATOM 7884 C THR 513 26.770 55.200 57.850 1.00 0.00 C +ATOM 7885 O THR 513 26.260 54.610 58.790 1.00 0.00 O +ATOM 7886 N GLY 514 26.930 56.530 57.800 1.00 0.00 N +ATOM 7887 HN GLY 514 27.180 56.942 56.928 1.00 0.00 H +ATOM 7888 CA GLY 514 26.760 57.490 58.880 1.00 0.00 C +ATOM 7889 HA1 GLY 514 26.770 58.442 58.370 1.00 0.00 H +ATOM 7890 HA2 GLY 514 25.886 57.268 59.474 1.00 0.00 H +ATOM 7891 C GLY 514 27.880 57.510 59.840 1.00 0.00 C +ATOM 7892 O GLY 514 27.710 57.860 61.040 1.00 0.00 O +ATOM 7893 N VAL 515 29.130 57.110 59.420 1.00 0.00 N +ATOM 7894 HN VAL 515 29.200 56.748 58.494 1.00 0.00 H +ATOM 7895 CA VAL 515 30.300 56.930 60.280 1.00 0.00 C +ATOM 7896 HA VAL 515 30.100 57.448 61.206 1.00 0.00 H +ATOM 7897 CB VAL 515 30.770 55.480 60.500 1.00 0.00 C +ATOM 7898 HB VAL 515 31.110 55.110 59.510 1.00 0.00 H +ATOM 7899 CG1 VAL 515 31.950 55.390 61.530 1.00 0.00 C +ATOM 7900 1HG1 VAL 515 32.928 55.750 61.142 1.00 0.00 H +ATOM 7901 2HG1 VAL 515 31.710 56.050 62.390 1.00 0.00 H +ATOM 7902 3HG1 VAL 515 32.070 54.322 61.812 1.00 0.00 H +ATOM 7903 CG2 VAL 515 29.680 54.470 60.840 1.00 0.00 C +ATOM 7904 1HG2 VAL 515 30.098 53.454 61.000 1.00 0.00 H +ATOM 7905 2HG2 VAL 515 29.138 54.640 61.794 1.00 0.00 H +ATOM 7906 3HG2 VAL 515 28.860 54.420 60.090 1.00 0.00 H +ATOM 7907 C VAL 515 31.410 57.750 59.690 1.00 0.00 C +ATOM 7908 O VAL 515 31.620 57.880 58.540 1.00 0.00 O +ATOM 7909 N THR 516 32.090 58.490 60.550 1.00 0.00 N +ATOM 7910 HN THR 516 31.970 58.290 61.520 1.00 0.00 H +ATOM 7911 CA THR 516 33.240 59.340 60.130 1.00 0.00 C +ATOM 7912 HA THR 516 33.280 59.560 59.074 1.00 0.00 H +ATOM 7913 CB THR 516 33.250 60.690 60.860 1.00 0.00 C +ATOM 7914 HB THR 516 33.610 60.600 61.908 1.00 0.00 H +ATOM 7915 OG1 THR 516 32.000 61.300 60.820 1.00 0.00 O +ATOM 7916 HG1 THR 516 31.338 60.658 61.090 1.00 0.00 H +ATOM 7917 CG2 THR 516 34.220 61.730 60.290 1.00 0.00 C +ATOM 7918 1HG2 THR 516 33.960 62.050 59.258 1.00 0.00 H +ATOM 7919 2HG2 THR 516 34.130 62.632 60.932 1.00 0.00 H +ATOM 7920 3HG2 THR 516 35.296 61.452 60.300 1.00 0.00 H +ATOM 7921 C THR 516 34.500 58.560 60.360 1.00 0.00 C +ATOM 7922 O THR 516 34.850 58.290 61.460 1.00 0.00 O +ATOM 7923 N TYR 517 35.250 58.390 59.270 1.00 0.00 N +ATOM 7924 HN TYR 517 34.812 58.708 58.432 1.00 0.00 H +ATOM 7925 CA TYR 517 36.520 57.820 59.210 1.00 0.00 C +ATOM 7926 HA TYR 517 36.730 57.440 60.200 1.00 0.00 H +ATOM 7927 CB TYR 517 36.750 56.670 58.220 1.00 0.00 C +ATOM 7928 HB1 TYR 517 36.470 57.048 57.214 1.00 0.00 H +ATOM 7929 HB2 TYR 517 37.838 56.450 58.180 1.00 0.00 H +ATOM 7930 CG TYR 517 35.960 55.420 58.580 1.00 0.00 C +ATOM 7931 CD1 TYR 517 36.600 54.270 58.920 1.00 0.00 C +ATOM 7932 HD1 TYR 517 37.668 54.190 59.060 1.00 0.00 H +ATOM 7933 CE1 TYR 517 35.930 53.110 59.320 1.00 0.00 C +ATOM 7934 HE1 TYR 517 36.530 52.320 59.750 1.00 0.00 H +ATOM 7935 CZ TYR 517 34.560 53.020 58.970 1.00 0.00 C +ATOM 7936 OH TYR 517 33.830 51.830 59.260 1.00 0.00 O +ATOM 7937 HH TYR 517 34.370 51.360 59.900 1.00 0.00 H +ATOM 7938 CD2 TYR 517 34.590 55.310 58.180 1.00 0.00 C +ATOM 7939 HD2 TYR 517 34.080 56.170 57.770 1.00 0.00 H +ATOM 7940 CE2 TYR 517 33.870 54.090 58.330 1.00 0.00 C +ATOM 7941 HE2 TYR 517 32.842 54.130 58.000 1.00 0.00 H +ATOM 7942 C TYR 517 37.580 58.910 58.980 1.00 0.00 C +ATOM 7943 O TYR 517 37.480 59.840 58.140 1.00 0.00 O +ATOM 7944 N THR 518 38.690 58.740 59.670 1.00 0.00 N +ATOM 7945 HN THR 518 38.640 58.132 60.458 1.00 0.00 H +ATOM 7946 CA THR 518 39.860 59.560 59.390 1.00 0.00 C +ATOM 7947 HA THR 518 39.660 60.490 58.880 1.00 0.00 H +ATOM 7948 CB THR 518 40.750 60.010 60.620 1.00 0.00 C +ATOM 7949 HB THR 518 41.604 60.642 60.298 1.00 0.00 H +ATOM 7950 OG1 THR 518 41.120 58.920 61.470 1.00 0.00 O +ATOM 7951 HG1 THR 518 40.272 58.540 61.710 1.00 0.00 H +ATOM 7952 CG2 THR 518 39.770 60.890 61.440 1.00 0.00 C +ATOM 7953 1HG2 THR 518 40.270 61.450 62.260 1.00 0.00 H +ATOM 7954 2HG2 THR 518 39.346 61.636 60.734 1.00 0.00 H +ATOM 7955 3HG2 THR 518 38.970 60.250 61.870 1.00 0.00 H +ATOM 7956 C THR 518 40.750 58.700 58.500 1.00 0.00 C +ATOM 7957 O THR 518 40.600 57.500 58.370 1.00 0.00 O +ATOM 7958 N TRP 519 41.770 59.300 57.820 1.00 0.00 N +ATOM 7959 HN TRP 519 41.870 60.286 57.710 1.00 0.00 H +ATOM 7960 CA TRP 519 42.710 58.520 57.060 1.00 0.00 C +ATOM 7961 HA TRP 519 42.188 58.038 56.246 1.00 0.00 H +ATOM 7962 CB TRP 519 43.730 59.410 56.290 1.00 0.00 C +ATOM 7963 HB1 TRP 519 43.950 60.278 56.948 1.00 0.00 H +ATOM 7964 HB2 TRP 519 44.628 58.802 56.050 1.00 0.00 H +ATOM 7965 CG TRP 519 43.150 59.840 54.980 1.00 0.00 C +ATOM 7966 CD1 TRP 519 42.810 61.140 54.630 1.00 0.00 C +ATOM 7967 HD1 TRP 519 42.980 62.022 55.230 1.00 0.00 H +ATOM 7968 NE1 TRP 519 42.280 61.160 53.430 1.00 0.00 N +ATOM 7969 HE1 TRP 519 42.000 61.900 52.860 1.00 0.00 H +ATOM 7970 CE2 TRP 519 42.150 59.900 52.990 1.00 0.00 C +ATOM 7971 CD2 TRP 519 42.730 59.010 53.920 1.00 0.00 C +ATOM 7972 CE3 TRP 519 42.930 57.690 53.640 1.00 0.00 C +ATOM 7973 HE3 TRP 519 43.468 57.074 54.346 1.00 0.00 H +ATOM 7974 CZ3 TRP 519 42.530 57.140 52.470 1.00 0.00 C +ATOM 7975 HZ3 TRP 519 42.540 56.070 52.320 1.00 0.00 H +ATOM 7976 CZ2 TRP 519 41.650 59.330 51.780 1.00 0.00 C +ATOM 7977 HZ2 TRP 519 41.082 60.038 51.192 1.00 0.00 H +ATOM 7978 CH2 TRP 519 41.870 57.940 51.550 1.00 0.00 C +ATOM 7979 HH2 TRP 519 41.340 57.610 50.670 1.00 0.00 H +ATOM 7980 C TRP 519 43.430 57.430 57.920 1.00 0.00 C +ATOM 7981 O TRP 519 43.590 56.310 57.490 1.00 0.00 O +ATOM 7982 N ASP 520 43.840 57.830 59.130 1.00 0.00 N +ATOM 7983 HN ASP 520 43.740 58.772 59.440 1.00 0.00 H +ATOM 7984 CA ASP 520 44.360 56.920 60.070 1.00 0.00 C +ATOM 7985 HA ASP 520 45.230 56.400 59.700 1.00 0.00 H +ATOM 7986 CB ASP 520 44.710 57.580 61.440 1.00 0.00 C +ATOM 7987 HB1 ASP 520 43.862 58.228 61.750 1.00 0.00 H +ATOM 7988 HB2 ASP 520 44.940 56.852 62.248 1.00 0.00 H +ATOM 7989 CG ASP 520 45.930 58.500 61.280 1.00 0.00 C +ATOM 7990 OD1 ASP 520 47.080 58.080 60.980 1.00 0.00 O +ATOM 7991 OD2 ASP 520 45.740 59.740 61.490 1.00 0.00 O +ATOM 7992 C ASP 520 43.470 55.720 60.480 1.00 0.00 C +ATOM 7993 O ASP 520 43.950 54.640 60.880 1.00 0.00 O +ATOM 7994 N ASP 521 42.070 55.830 60.450 1.00 0.00 N +ATOM 7995 HN ASP 521 41.702 56.746 60.310 1.00 0.00 H +ATOM 7996 CA ASP 521 41.060 54.830 60.830 1.00 0.00 C +ATOM 7997 HA ASP 521 41.470 54.360 61.712 1.00 0.00 H +ATOM 7998 CB ASP 521 39.640 55.380 61.080 1.00 0.00 C +ATOM 7999 HB1 ASP 521 39.248 55.972 60.226 1.00 0.00 H +ATOM 8000 HB2 ASP 521 38.986 54.516 61.322 1.00 0.00 H +ATOM 8001 CG ASP 521 39.620 56.330 62.310 1.00 0.00 C +ATOM 8002 OD1 ASP 521 40.150 55.930 63.340 1.00 0.00 O +ATOM 8003 OD2 ASP 521 38.910 57.360 62.260 1.00 0.00 O +ATOM 8004 C ASP 521 40.990 53.770 59.770 1.00 0.00 C +ATOM 8005 O ASP 521 40.980 52.540 60.030 1.00 0.00 O +ATOM 8006 N LEU 522 41.010 54.190 58.470 1.00 0.00 N +ATOM 8007 HN LEU 522 41.120 55.178 58.380 1.00 0.00 H +ATOM 8008 CA LEU 522 41.130 53.390 57.310 1.00 0.00 C +ATOM 8009 HA LEU 522 40.368 52.628 57.360 1.00 0.00 H +ATOM 8010 CB LEU 522 40.910 54.200 56.050 1.00 0.00 C +ATOM 8011 HB1 LEU 522 41.580 55.080 56.140 1.00 0.00 H +ATOM 8012 HB2 LEU 522 41.170 53.650 55.120 1.00 0.00 H +ATOM 8013 CG LEU 522 39.550 54.910 55.950 1.00 0.00 C +ATOM 8014 HG LEU 522 39.340 55.450 56.898 1.00 0.00 H +ATOM 8015 CD1 LEU 522 39.560 55.960 54.820 1.00 0.00 C +ATOM 8016 1HD1 LEU 522 40.310 56.740 55.070 1.00 0.00 H +ATOM 8017 2HD1 LEU 522 39.760 55.408 53.878 1.00 0.00 H +ATOM 8018 3HD1 LEU 522 38.540 56.400 54.810 1.00 0.00 H +ATOM 8019 CD2 LEU 522 38.460 53.860 55.760 1.00 0.00 C +ATOM 8020 1HD2 LEU 522 38.460 53.372 54.762 1.00 0.00 H +ATOM 8021 2HD2 LEU 522 38.460 53.064 56.534 1.00 0.00 H +ATOM 8022 3HD2 LEU 522 37.482 54.378 55.860 1.00 0.00 H +ATOM 8023 C LEU 522 42.440 52.580 57.130 1.00 0.00 C +ATOM 8024 O LEU 522 42.360 51.400 56.870 1.00 0.00 O +ATOM 8025 N TYR 523 43.580 53.220 57.430 1.00 0.00 N +ATOM 8026 HN TYR 523 43.530 54.208 57.550 1.00 0.00 H +ATOM 8027 CA TYR 523 44.840 52.610 57.420 1.00 0.00 C +ATOM 8028 HA TYR 523 45.020 52.158 56.456 1.00 0.00 H +ATOM 8029 CB TYR 523 46.040 53.510 57.680 1.00 0.00 C +ATOM 8030 HB1 TYR 523 45.950 54.030 58.658 1.00 0.00 H +ATOM 8031 HB2 TYR 523 46.936 52.854 57.710 1.00 0.00 H +ATOM 8032 CG TYR 523 46.170 54.480 56.540 1.00 0.00 C +ATOM 8033 CD1 TYR 523 46.050 54.060 55.170 1.00 0.00 C +ATOM 8034 HD1 TYR 523 45.880 53.008 55.000 1.00 0.00 H +ATOM 8035 CE1 TYR 523 46.240 54.950 54.140 1.00 0.00 C +ATOM 8036 HE1 TYR 523 46.190 54.690 53.092 1.00 0.00 H +ATOM 8037 CZ TYR 523 46.540 56.310 54.440 1.00 0.00 C +ATOM 8038 OH TYR 523 46.850 57.190 53.380 1.00 0.00 O +ATOM 8039 HH TYR 523 46.760 58.088 53.710 1.00 0.00 H +ATOM 8040 CD2 TYR 523 46.510 55.860 56.790 1.00 0.00 C +ATOM 8041 HD2 TYR 523 46.680 56.180 57.808 1.00 0.00 H +ATOM 8042 CE2 TYR 523 46.740 56.770 55.760 1.00 0.00 C +ATOM 8043 HE2 TYR 523 47.162 57.752 55.910 1.00 0.00 H +ATOM 8044 C TYR 523 44.930 51.450 58.470 1.00 0.00 C +ATOM 8045 O TYR 523 45.290 50.290 58.210 1.00 0.00 O +ATOM 8046 N LYS 524 44.560 51.700 59.750 1.00 0.00 N +ATOM 8047 HN LYS 524 44.320 52.642 59.970 1.00 0.00 H +ATOM 8048 CA LYS 524 44.410 50.780 60.930 1.00 0.00 C +ATOM 8049 HA LYS 524 45.396 50.568 61.312 1.00 0.00 H +ATOM 8050 CB LYS 524 43.740 51.490 62.050 1.00 0.00 C +ATOM 8051 HB1 LYS 524 44.352 52.402 62.220 1.00 0.00 H +ATOM 8052 HB2 LYS 524 42.748 51.880 61.740 1.00 0.00 H +ATOM 8053 CG LYS 524 43.570 50.650 63.310 1.00 0.00 C +ATOM 8054 HG1 LYS 524 42.888 49.786 63.160 1.00 0.00 H +ATOM 8055 HG2 LYS 524 44.606 50.272 63.440 1.00 0.00 H +ATOM 8056 CD LYS 524 43.160 51.510 64.560 1.00 0.00 C +ATOM 8057 HD1 LYS 524 43.898 52.336 64.650 1.00 0.00 H +ATOM 8058 HD2 LYS 524 42.180 51.990 64.350 1.00 0.00 H +ATOM 8059 CE LYS 524 43.190 50.660 65.830 1.00 0.00 C +ATOM 8060 HE1 LYS 524 42.342 49.942 65.780 1.00 0.00 H +ATOM 8061 HE2 LYS 524 44.118 50.062 65.960 1.00 0.00 H +ATOM 8062 NZ LYS 524 43.080 51.540 67.000 1.00 0.00 N +ATOM 8063 HZ1 LYS 524 44.020 51.940 67.190 1.00 0.00 H +ATOM 8064 HZ2 LYS 524 42.340 52.270 66.960 1.00 0.00 H +ATOM 8065 HZ3 LYS 524 42.850 50.930 67.810 1.00 0.00 H +ATOM 8066 C LYS 524 43.500 49.600 60.500 1.00 0.00 C +ATOM 8067 O LYS 524 43.790 48.430 60.860 1.00 0.00 O +ATOM 8068 N ALA 525 42.420 49.840 59.730 1.00 0.00 N +ATOM 8069 HN ALA 525 42.082 50.756 59.530 1.00 0.00 H +ATOM 8070 CA ALA 525 41.640 48.740 59.150 1.00 0.00 C +ATOM 8071 HA ALA 525 41.590 48.018 59.952 1.00 0.00 H +ATOM 8072 CB ALA 525 40.290 49.210 58.680 1.00 0.00 C +ATOM 8073 HB1 ALA 525 40.410 49.928 57.842 1.00 0.00 H +ATOM 8074 HB2 ALA 525 39.690 48.328 58.370 1.00 0.00 H +ATOM 8075 HB3 ALA 525 39.812 49.728 59.538 1.00 0.00 H +ATOM 8076 C ALA 525 42.300 47.930 58.070 1.00 0.00 C +ATOM 8077 O ALA 525 42.220 46.720 57.970 1.00 0.00 O +ATOM 8078 N ALA 526 43.010 48.550 57.070 1.00 0.00 N +ATOM 8079 HN ALA 526 42.990 49.546 57.020 1.00 0.00 H +ATOM 8080 CA ALA 526 43.820 47.920 56.110 1.00 0.00 C +ATOM 8081 HA ALA 526 43.172 47.182 55.662 1.00 0.00 H +ATOM 8082 CB ALA 526 44.340 49.000 55.040 1.00 0.00 C +ATOM 8083 HB1 ALA 526 44.820 49.818 55.620 1.00 0.00 H +ATOM 8084 HB2 ALA 526 45.042 48.548 54.308 1.00 0.00 H +ATOM 8085 HB3 ALA 526 43.510 49.550 54.550 1.00 0.00 H +ATOM 8086 C ALA 526 45.010 47.110 56.700 1.00 0.00 C +ATOM 8087 O ALA 526 45.240 45.960 56.270 1.00 0.00 O +ATOM 8088 N ASP 527 45.750 47.620 57.630 1.00 0.00 N +ATOM 8089 HN ASP 527 45.498 48.548 57.892 1.00 0.00 H +ATOM 8090 CA ASP 527 46.770 46.920 58.370 1.00 0.00 C +ATOM 8091 HA ASP 527 47.488 46.552 57.652 1.00 0.00 H +ATOM 8092 CB ASP 527 47.470 47.830 59.340 1.00 0.00 C +ATOM 8093 HB1 ASP 527 46.742 48.458 59.898 1.00 0.00 H +ATOM 8094 HB2 ASP 527 47.990 47.220 60.110 1.00 0.00 H +ATOM 8095 CG ASP 527 48.570 48.650 58.710 1.00 0.00 C +ATOM 8096 OD1 ASP 527 48.860 48.720 57.510 1.00 0.00 O +ATOM 8097 OD2 ASP 527 49.240 49.330 59.550 1.00 0.00 O +ATOM 8098 C ASP 527 46.110 45.740 59.150 1.00 0.00 C +ATOM 8099 O ASP 527 46.710 44.670 59.090 1.00 0.00 O +ATOM 8100 N ARG 528 44.920 45.840 59.750 1.00 0.00 N +ATOM 8101 HN ARG 528 44.568 46.772 59.760 1.00 0.00 H +ATOM 8102 CA ARG 528 44.140 44.780 60.420 1.00 0.00 C +ATOM 8103 HA ARG 528 44.830 44.470 61.190 1.00 0.00 H +ATOM 8104 CB ARG 528 42.870 45.300 61.140 1.00 0.00 C +ATOM 8105 HB1 ARG 528 43.158 46.224 61.686 1.00 0.00 H +ATOM 8106 HB2 ARG 528 42.102 45.500 60.362 1.00 0.00 H +ATOM 8107 CG ARG 528 42.190 44.400 62.090 1.00 0.00 C +ATOM 8108 HG1 ARG 528 42.080 43.364 61.702 1.00 0.00 H +ATOM 8109 HG2 ARG 528 42.858 44.380 62.978 1.00 0.00 H +ATOM 8110 CD ARG 528 40.790 44.840 62.600 1.00 0.00 C +ATOM 8111 HD1 ARG 528 40.042 44.920 61.782 1.00 0.00 H +ATOM 8112 HD2 ARG 528 40.302 43.992 63.128 1.00 0.00 H +ATOM 8113 NE ARG 528 40.900 46.050 63.490 1.00 0.00 N +ATOM 8114 HE ARG 528 41.288 45.950 64.406 1.00 0.00 H +ATOM 8115 CZ ARG 528 40.470 47.280 63.160 1.00 0.00 C +ATOM 8116 NH1 ARG 528 39.990 47.680 62.020 1.00 0.00 N +ATOM 8117 1HH1 ARG 528 39.920 46.984 61.304 1.00 0.00 H +ATOM 8118 2HH1 ARG 528 39.830 48.664 61.950 1.00 0.00 H +ATOM 8119 NH2 ARG 528 40.370 48.230 64.080 1.00 0.00 N +ATOM 8120 1HH2 ARG 528 40.678 48.002 65.004 1.00 0.00 H +ATOM 8121 2HH2 ARG 528 40.002 49.148 63.930 1.00 0.00 H +ATOM 8122 C ARG 528 43.840 43.680 59.430 1.00 0.00 C +ATOM 8123 O ARG 528 43.890 42.500 59.790 1.00 0.00 O +ATOM 8124 N VAL 529 43.480 44.070 58.190 1.00 0.00 N +ATOM 8125 HN VAL 529 43.410 45.022 57.900 1.00 0.00 H +ATOM 8126 CA VAL 529 43.210 43.040 57.190 1.00 0.00 C +ATOM 8127 HA VAL 529 42.642 42.222 57.608 1.00 0.00 H +ATOM 8128 CB VAL 529 42.310 43.480 56.070 1.00 0.00 C +ATOM 8129 HB VAL 529 42.650 44.448 55.642 1.00 0.00 H +ATOM 8130 CG1 VAL 529 42.090 42.400 54.980 1.00 0.00 C +ATOM 8131 1HG1 VAL 529 41.256 42.672 54.298 1.00 0.00 H +ATOM 8132 2HG1 VAL 529 43.028 42.260 54.402 1.00 0.00 H +ATOM 8133 3HG1 VAL 529 41.800 41.462 55.500 1.00 0.00 H +ATOM 8134 CG2 VAL 529 40.950 43.760 56.710 1.00 0.00 C +ATOM 8135 1HG2 VAL 529 40.970 44.560 57.480 1.00 0.00 H +ATOM 8136 2HG2 VAL 529 40.156 43.890 55.946 1.00 0.00 H +ATOM 8137 3HG2 VAL 529 40.730 42.798 57.220 1.00 0.00 H +ATOM 8138 C VAL 529 44.520 42.330 56.880 1.00 0.00 C +ATOM 8139 O VAL 529 44.600 41.060 56.880 1.00 0.00 O +ATOM 8140 N TYR 530 45.600 43.080 56.510 1.00 0.00 N +ATOM 8141 HN TYR 530 45.510 44.072 56.530 1.00 0.00 H +ATOM 8142 CA TYR 530 46.930 42.510 56.200 1.00 0.00 C +ATOM 8143 HA TYR 530 46.850 41.832 55.362 1.00 0.00 H +ATOM 8144 CB TYR 530 47.940 43.610 55.970 1.00 0.00 C +ATOM 8145 HB1 TYR 530 47.450 44.472 56.470 1.00 0.00 H +ATOM 8146 HB2 TYR 530 49.000 43.500 56.282 1.00 0.00 H +ATOM 8147 CG TYR 530 47.980 43.890 54.480 1.00 0.00 C +ATOM 8148 CD1 TYR 530 48.840 43.140 53.620 1.00 0.00 C +ATOM 8149 HD1 TYR 530 49.594 42.506 54.066 1.00 0.00 H +ATOM 8150 CE1 TYR 530 48.660 43.150 52.260 1.00 0.00 C +ATOM 8151 HE1 TYR 530 49.300 42.580 51.600 1.00 0.00 H +ATOM 8152 CZ TYR 530 47.900 44.170 51.690 1.00 0.00 C +ATOM 8153 OH TYR 530 47.650 44.160 50.320 1.00 0.00 O +ATOM 8154 HH TYR 530 48.164 43.426 49.978 1.00 0.00 H +ATOM 8155 CD2 TYR 530 47.110 44.800 53.870 1.00 0.00 C +ATOM 8156 HD2 TYR 530 46.490 45.460 54.460 1.00 0.00 H +ATOM 8157 CE2 TYR 530 47.140 45.040 52.490 1.00 0.00 C +ATOM 8158 HE2 TYR 530 46.520 45.790 52.020 1.00 0.00 H +ATOM 8159 C TYR 530 47.520 41.530 57.310 1.00 0.00 C +ATOM 8160 O TYR 530 47.830 40.410 57.060 1.00 0.00 O +ATOM 8161 N SER 531 47.490 41.940 58.570 1.00 0.00 N +ATOM 8162 HN SER 531 47.300 42.908 58.710 1.00 0.00 H +ATOM 8163 CA SER 531 47.860 41.110 59.690 1.00 0.00 C +ATOM 8164 HA SER 531 48.860 40.760 59.480 1.00 0.00 H +ATOM 8165 CB SER 531 47.940 41.870 60.980 1.00 0.00 C +ATOM 8166 HB1 SER 531 47.008 42.432 61.200 1.00 0.00 H +ATOM 8167 HB2 SER 531 48.170 41.132 61.778 1.00 0.00 H +ATOM 8168 OG SER 531 49.050 42.740 60.910 1.00 0.00 O +ATOM 8169 HG1 SER 531 48.688 43.564 60.578 1.00 0.00 H +ATOM 8170 C SER 531 46.980 39.890 59.800 1.00 0.00 C +ATOM 8171 O SER 531 47.480 38.780 60.030 1.00 0.00 O +ATOM 8172 N LEU 532 45.650 40.050 59.760 1.00 0.00 N +ATOM 8173 HN LEU 532 45.164 40.904 59.592 1.00 0.00 H +ATOM 8174 CA LEU 532 44.730 38.920 59.830 1.00 0.00 C +ATOM 8175 HA LEU 532 44.910 38.500 60.808 1.00 0.00 H +ATOM 8176 CB LEU 532 43.230 39.490 59.730 1.00 0.00 C +ATOM 8177 HB1 LEU 532 43.220 40.286 60.506 1.00 0.00 H +ATOM 8178 HB2 LEU 532 43.100 40.042 58.776 1.00 0.00 H +ATOM 8179 CG LEU 532 42.110 38.510 60.010 1.00 0.00 C +ATOM 8180 HG LEU 532 42.260 37.626 59.356 1.00 0.00 H +ATOM 8181 CD1 LEU 532 42.350 37.850 61.380 1.00 0.00 C +ATOM 8182 1HD1 LEU 532 43.044 37.026 61.108 1.00 0.00 H +ATOM 8183 2HD1 LEU 532 42.768 38.616 62.068 1.00 0.00 H +ATOM 8184 3HD1 LEU 532 41.448 37.450 61.890 1.00 0.00 H +ATOM 8185 CD2 LEU 532 40.730 39.140 59.840 1.00 0.00 C +ATOM 8186 1HD2 LEU 532 39.996 38.326 60.020 1.00 0.00 H +ATOM 8187 2HD2 LEU 532 40.530 40.002 60.512 1.00 0.00 H +ATOM 8188 3HD2 LEU 532 40.840 39.420 58.770 1.00 0.00 H +ATOM 8189 C LEU 532 44.850 37.960 58.780 1.00 0.00 C +ATOM 8190 O LEU 532 44.870 36.740 59.020 1.00 0.00 O +ATOM 8191 N ILE 533 45.070 38.360 57.510 1.00 0.00 N +ATOM 8192 HN ILE 533 44.938 39.328 57.318 1.00 0.00 H +ATOM 8193 CA ILE 533 45.460 37.480 56.390 1.00 0.00 C +ATOM 8194 HA ILE 533 44.758 36.658 56.390 1.00 0.00 H +ATOM 8195 CB ILE 533 45.350 38.180 55.050 1.00 0.00 C +ATOM 8196 HB ILE 533 46.000 39.080 55.070 1.00 0.00 H +ATOM 8197 CG2 ILE 533 45.850 37.290 53.920 1.00 0.00 C +ATOM 8198 1HG2 ILE 533 45.680 37.780 52.938 1.00 0.00 H +ATOM 8199 2HG2 ILE 533 46.946 37.120 53.970 1.00 0.00 H +ATOM 8200 3HG2 ILE 533 45.310 36.320 53.990 1.00 0.00 H +ATOM 8201 CG1 ILE 533 43.870 38.630 54.730 1.00 0.00 C +ATOM 8202 1HG1 ILE 533 43.258 37.776 54.368 1.00 0.00 H +ATOM 8203 2HG1 ILE 533 43.330 39.180 55.530 1.00 0.00 H +ATOM 8204 CD ILE 533 43.830 39.680 53.600 1.00 0.00 C +ATOM 8205 HD1 ILE 533 44.272 39.348 52.636 1.00 0.00 H +ATOM 8206 HD2 ILE 533 42.770 40.010 53.540 1.00 0.00 H +ATOM 8207 HD3 ILE 533 44.500 40.480 53.980 1.00 0.00 H +ATOM 8208 C ILE 533 46.730 36.800 56.600 1.00 0.00 C +ATOM 8209 O ILE 533 46.930 35.620 56.310 1.00 0.00 O +ATOM 8210 N ARG 534 47.760 37.520 57.090 1.00 0.00 N +ATOM 8211 HN ARG 534 47.570 38.484 57.260 1.00 0.00 H +ATOM 8212 CA ARG 534 49.080 36.990 57.350 1.00 0.00 C +ATOM 8213 HA ARG 534 49.408 36.452 56.472 1.00 0.00 H +ATOM 8214 CB ARG 534 50.120 38.100 57.720 1.00 0.00 C +ATOM 8215 HB1 ARG 534 50.230 38.658 56.764 1.00 0.00 H +ATOM 8216 HB2 ARG 534 49.820 38.840 58.492 1.00 0.00 H +ATOM 8217 CG ARG 534 51.480 37.510 58.130 1.00 0.00 C +ATOM 8218 HG1 ARG 534 52.228 38.298 58.370 1.00 0.00 H +ATOM 8219 HG2 ARG 534 51.460 36.896 59.056 1.00 0.00 H +ATOM 8220 CD ARG 534 52.180 36.590 57.130 1.00 0.00 C +ATOM 8221 HD1 ARG 534 53.132 36.280 57.610 1.00 0.00 H +ATOM 8222 HD2 ARG 534 51.610 35.688 56.820 1.00 0.00 H +ATOM 8223 NE ARG 534 52.410 37.400 55.860 1.00 0.00 N +ATOM 8224 HE ARG 534 51.580 37.580 55.330 1.00 0.00 H +ATOM 8225 CZ ARG 534 53.630 37.650 55.340 1.00 0.00 C +ATOM 8226 NH1 ARG 534 54.780 37.470 55.980 1.00 0.00 N +ATOM 8227 1HH1 ARG 534 54.690 37.560 56.972 1.00 0.00 H +ATOM 8228 2HH1 ARG 534 55.554 37.842 55.468 1.00 0.00 H +ATOM 8229 NH2 ARG 534 53.610 38.050 54.080 1.00 0.00 N +ATOM 8230 1HH2 ARG 534 52.750 38.400 53.710 1.00 0.00 H +ATOM 8231 2HH2 ARG 534 54.422 38.060 53.498 1.00 0.00 H +ATOM 8232 C ARG 534 49.030 35.880 58.430 1.00 0.00 C +ATOM 8233 O ARG 534 49.570 34.780 58.300 1.00 0.00 O +ATOM 8234 N ALA 535 48.370 36.150 59.540 1.00 0.00 N +ATOM 8235 HN ALA 535 47.970 37.048 59.710 1.00 0.00 H +ATOM 8236 CA ALA 535 48.040 35.170 60.580 1.00 0.00 C +ATOM 8237 HA ALA 535 48.914 34.882 61.146 1.00 0.00 H +ATOM 8238 CB ALA 535 47.180 35.820 61.600 1.00 0.00 C +ATOM 8239 HB1 ALA 535 46.234 36.112 61.096 1.00 0.00 H +ATOM 8240 HB2 ALA 535 46.990 35.120 62.440 1.00 0.00 H +ATOM 8241 HB3 ALA 535 47.828 36.638 61.980 1.00 0.00 H +ATOM 8242 C ALA 535 47.400 33.860 60.120 1.00 0.00 C +ATOM 8243 O ALA 535 47.870 32.720 60.420 1.00 0.00 O +ATOM 8244 N TYR 536 46.420 33.980 59.230 1.00 0.00 N +ATOM 8245 HN TYR 536 46.150 34.852 58.830 1.00 0.00 H +ATOM 8246 CA TYR 536 45.760 32.860 58.510 1.00 0.00 C +ATOM 8247 HA TYR 536 45.228 32.298 59.262 1.00 0.00 H +ATOM 8248 CB TYR 536 44.730 33.470 57.490 1.00 0.00 C +ATOM 8249 HB1 TYR 536 43.980 34.080 58.040 1.00 0.00 H +ATOM 8250 HB2 TYR 536 45.110 34.012 56.598 1.00 0.00 H +ATOM 8251 CG TYR 536 43.930 32.400 56.870 1.00 0.00 C +ATOM 8252 CD1 TYR 536 44.270 31.650 55.750 1.00 0.00 C +ATOM 8253 HD1 TYR 536 45.236 31.858 55.312 1.00 0.00 H +ATOM 8254 CE1 TYR 536 43.450 30.650 55.270 1.00 0.00 C +ATOM 8255 HE1 TYR 536 43.760 30.140 54.370 1.00 0.00 H +ATOM 8256 CZ TYR 536 42.310 30.210 55.980 1.00 0.00 C +ATOM 8257 OH TYR 536 41.510 29.090 55.570 1.00 0.00 O +ATOM 8258 HH TYR 536 41.080 28.750 56.358 1.00 0.00 H +ATOM 8259 CD2 TYR 536 42.860 31.950 57.590 1.00 0.00 C +ATOM 8260 HD2 TYR 536 42.582 32.398 58.534 1.00 0.00 H +ATOM 8261 CE2 TYR 536 42.070 30.830 57.150 1.00 0.00 C +ATOM 8262 HE2 TYR 536 41.144 30.618 57.664 1.00 0.00 H +ATOM 8263 C TYR 536 46.770 31.890 57.790 1.00 0.00 C +ATOM 8264 O TYR 536 46.880 30.670 57.970 1.00 0.00 O +ATOM 8265 N TRP 537 47.710 32.510 57.020 1.00 0.00 N +ATOM 8266 HN TRP 537 47.620 33.486 56.840 1.00 0.00 H +ATOM 8267 CA TRP 537 48.840 31.770 56.470 1.00 0.00 C +ATOM 8268 HA TRP 537 48.560 30.948 55.828 1.00 0.00 H +ATOM 8269 CB TRP 537 49.640 32.710 55.550 1.00 0.00 C +ATOM 8270 HB1 TRP 537 49.680 33.756 55.922 1.00 0.00 H +ATOM 8271 HB2 TRP 537 50.654 32.268 55.450 1.00 0.00 H +ATOM 8272 CG TRP 537 49.040 32.870 54.200 1.00 0.00 C +ATOM 8273 CD1 TRP 537 48.260 33.810 53.760 1.00 0.00 C +ATOM 8274 HD1 TRP 537 47.970 34.660 54.360 1.00 0.00 H +ATOM 8275 NE1 TRP 537 47.960 33.570 52.420 1.00 0.00 N +ATOM 8276 HE1 TRP 537 47.400 34.060 51.790 1.00 0.00 H +ATOM 8277 CE2 TRP 537 48.660 32.530 51.940 1.00 0.00 C +ATOM 8278 CD2 TRP 537 49.290 31.970 53.050 1.00 0.00 C +ATOM 8279 CE3 TRP 537 50.040 30.850 52.850 1.00 0.00 C +ATOM 8280 HE3 TRP 537 50.580 30.460 53.700 1.00 0.00 H +ATOM 8281 CZ3 TRP 537 50.290 30.380 51.580 1.00 0.00 C +ATOM 8282 HZ3 TRP 537 50.870 29.478 51.450 1.00 0.00 H +ATOM 8283 CZ2 TRP 537 48.770 32.030 50.660 1.00 0.00 C +ATOM 8284 HZ2 TRP 537 48.220 32.430 49.820 1.00 0.00 H +ATOM 8285 CH2 TRP 537 49.580 30.920 50.520 1.00 0.00 C +ATOM 8286 HH2 TRP 537 49.480 30.460 49.548 1.00 0.00 H +ATOM 8287 C TRP 537 49.740 31.100 57.450 1.00 0.00 C +ATOM 8288 O TRP 537 50.160 29.920 57.320 1.00 0.00 O +ATOM 8289 N VAL 538 50.010 31.850 58.570 1.00 0.00 N +ATOM 8290 HN VAL 538 49.468 32.674 58.710 1.00 0.00 H +ATOM 8291 CA VAL 538 50.800 31.230 59.730 1.00 0.00 C +ATOM 8292 HA VAL 538 51.750 30.910 59.330 1.00 0.00 H +ATOM 8293 CB VAL 538 51.220 32.260 60.760 1.00 0.00 C +ATOM 8294 HB VAL 538 50.310 32.690 61.230 1.00 0.00 H +ATOM 8295 CG1 VAL 538 52.100 31.690 61.910 1.00 0.00 C +ATOM 8296 1HG1 VAL 538 52.290 32.352 62.782 1.00 0.00 H +ATOM 8297 2HG1 VAL 538 51.740 30.740 62.360 1.00 0.00 H +ATOM 8298 3HG1 VAL 538 53.124 31.490 61.528 1.00 0.00 H +ATOM 8299 CG2 VAL 538 51.930 33.400 60.090 1.00 0.00 C +ATOM 8300 1HG2 VAL 538 51.310 33.950 59.350 1.00 0.00 H +ATOM 8301 2HG2 VAL 538 52.160 34.270 60.740 1.00 0.00 H +ATOM 8302 3HG2 VAL 538 52.970 33.220 59.740 1.00 0.00 H +ATOM 8303 C VAL 538 50.090 29.990 60.310 1.00 0.00 C +ATOM 8304 O VAL 538 50.690 28.920 60.640 1.00 0.00 O +ATOM 8305 N ARG 539 48.840 30.130 60.650 1.00 0.00 N +ATOM 8306 HN ARG 539 48.392 30.976 60.372 1.00 0.00 H +ATOM 8307 CA ARG 539 48.030 29.040 61.160 1.00 0.00 C +ATOM 8308 HA ARG 539 48.470 28.640 62.060 1.00 0.00 H +ATOM 8309 CB ARG 539 46.680 29.630 61.420 1.00 0.00 C +ATOM 8310 HB1 ARG 539 46.800 30.504 62.094 1.00 0.00 H +ATOM 8311 HB2 ARG 539 46.170 30.030 60.518 1.00 0.00 H +ATOM 8312 CG ARG 539 45.800 28.630 62.210 1.00 0.00 C +ATOM 8313 HG1 ARG 539 45.690 27.636 61.728 1.00 0.00 H +ATOM 8314 HG2 ARG 539 46.400 28.420 63.120 1.00 0.00 H +ATOM 8315 CD ARG 539 44.470 29.290 62.650 1.00 0.00 C +ATOM 8316 HD1 ARG 539 43.888 28.728 63.412 1.00 0.00 H +ATOM 8317 HD2 ARG 539 44.690 30.330 62.970 1.00 0.00 H +ATOM 8318 NE ARG 539 43.810 29.380 61.280 1.00 0.00 N +ATOM 8319 HE ARG 539 44.132 28.808 60.526 1.00 0.00 H +ATOM 8320 CZ ARG 539 42.600 29.890 61.200 1.00 0.00 C +ATOM 8321 NH1 ARG 539 41.870 30.400 62.210 1.00 0.00 N +ATOM 8322 1HH1 ARG 539 42.138 30.530 63.164 1.00 0.00 H +ATOM 8323 2HH1 ARG 539 41.020 30.860 61.950 1.00 0.00 H +ATOM 8324 NH2 ARG 539 42.000 29.770 60.080 1.00 0.00 N +ATOM 8325 1HH2 ARG 539 42.382 29.036 59.518 1.00 0.00 H +ATOM 8326 2HH2 ARG 539 41.006 29.880 60.080 1.00 0.00 H +ATOM 8327 C ARG 539 47.900 27.800 60.230 1.00 0.00 C +ATOM 8328 O ARG 539 47.850 26.700 60.720 1.00 0.00 O +ATOM 8329 N GLU 540 47.540 28.010 58.930 1.00 0.00 N +ATOM 8330 HN GLU 540 47.330 28.922 58.590 1.00 0.00 H +ATOM 8331 CA GLU 540 47.230 26.990 58.000 1.00 0.00 C +ATOM 8332 HA GLU 540 46.582 26.292 58.508 1.00 0.00 H +ATOM 8333 CB GLU 540 46.530 27.510 56.730 1.00 0.00 C +ATOM 8334 HB1 GLU 540 47.208 28.168 56.142 1.00 0.00 H +ATOM 8335 HB2 GLU 540 46.138 26.718 56.058 1.00 0.00 H +ATOM 8336 CG GLU 540 45.100 28.090 56.990 1.00 0.00 C +ATOM 8337 HG1 GLU 540 45.160 29.072 57.506 1.00 0.00 H +ATOM 8338 HG2 GLU 540 44.590 28.350 56.038 1.00 0.00 H +ATOM 8339 CD GLU 540 44.120 27.220 57.800 1.00 0.00 C +ATOM 8340 OE1 GLU 540 43.770 27.630 58.930 1.00 0.00 O +ATOM 8341 OE2 GLU 540 43.780 26.090 57.340 1.00 0.00 O +ATOM 8342 C GLU 540 48.430 26.210 57.540 1.00 0.00 C +ATOM 8343 O GLU 540 48.300 25.090 57.110 1.00 0.00 O +ATOM 8344 N PHE 541 49.650 26.740 57.720 1.00 0.00 N +ATOM 8345 HN PHE 541 49.700 27.686 58.032 1.00 0.00 H +ATOM 8346 CA PHE 541 50.910 26.000 57.480 1.00 0.00 C +ATOM 8347 HA PHE 541 50.740 25.070 56.960 1.00 0.00 H +ATOM 8348 CB PHE 541 51.870 26.870 56.610 1.00 0.00 C +ATOM 8349 HB1 PHE 541 51.770 27.956 56.828 1.00 0.00 H +ATOM 8350 HB2 PHE 541 52.938 26.580 56.720 1.00 0.00 H +ATOM 8351 CG PHE 541 51.520 26.770 55.180 1.00 0.00 C +ATOM 8352 CD1 PHE 541 52.280 26.110 54.200 1.00 0.00 C +ATOM 8353 HD1 PHE 541 53.206 25.586 54.382 1.00 0.00 H +ATOM 8354 CE1 PHE 541 51.910 26.060 52.830 1.00 0.00 C +ATOM 8355 HE1 PHE 541 52.604 25.604 52.136 1.00 0.00 H +ATOM 8356 CZ PHE 541 50.820 26.770 52.400 1.00 0.00 C +ATOM 8357 HZ PHE 541 50.538 26.900 51.366 1.00 0.00 H +ATOM 8358 CD2 PHE 541 50.460 27.470 54.680 1.00 0.00 C +ATOM 8359 HD2 PHE 541 49.892 28.148 55.298 1.00 0.00 H +ATOM 8360 CE2 PHE 541 50.030 27.440 53.320 1.00 0.00 C +ATOM 8361 HE2 PHE 541 49.190 28.030 52.980 1.00 0.00 H +ATOM 8362 C PHE 541 51.600 25.460 58.640 1.00 0.00 C +ATOM 8363 O PHE 541 52.830 25.110 58.690 1.00 0.00 O +ATOM 8364 N ASN 542 50.840 25.430 59.800 1.00 0.00 N +ATOM 8365 HN ASN 542 49.932 25.840 59.840 1.00 0.00 H +ATOM 8366 CA ASN 542 51.240 24.870 61.110 1.00 0.00 C +ATOM 8367 HA ASN 542 50.424 24.990 61.808 1.00 0.00 H +ATOM 8368 CB ASN 542 51.560 23.330 61.090 1.00 0.00 C +ATOM 8369 HB1 ASN 542 52.394 23.068 60.406 1.00 0.00 H +ATOM 8370 HB2 ASN 542 51.810 23.080 62.142 1.00 0.00 H +ATOM 8371 CG ASN 542 50.360 22.490 60.730 1.00 0.00 C +ATOM 8372 OD1 ASN 542 49.230 23.010 60.580 1.00 0.00 O +ATOM 8373 ND2 ASN 542 50.550 21.190 60.610 1.00 0.00 N +ATOM 8374 1HD2 ASN 542 51.462 20.810 60.760 1.00 0.00 H +ATOM 8375 2HD2 ASN 542 49.732 20.640 60.440 1.00 0.00 H +ATOM 8376 C ASN 542 52.480 25.710 61.720 1.00 0.00 C +ATOM 8377 O ASN 542 53.340 25.100 62.310 1.00 0.00 O +ATOM 8378 N GLY 543 52.570 27.050 61.430 1.00 0.00 N +ATOM 8379 HN GLY 543 51.822 27.598 61.062 1.00 0.00 H +ATOM 8380 CA GLY 543 53.660 27.860 61.840 1.00 0.00 C +ATOM 8381 HA1 GLY 543 53.400 28.860 61.530 1.00 0.00 H +ATOM 8382 HA2 GLY 543 53.830 27.660 62.888 1.00 0.00 H +ATOM 8383 C GLY 543 55.000 27.520 61.200 1.00 0.00 C +ATOM 8384 O GLY 543 56.060 27.720 61.720 1.00 0.00 O +ATOM 8385 N LYS 544 54.910 26.970 59.960 1.00 0.00 N +ATOM 8386 HN LYS 544 53.984 26.762 59.652 1.00 0.00 H +ATOM 8387 CA LYS 544 56.030 26.940 59.000 1.00 0.00 C +ATOM 8388 HA LYS 544 56.946 26.880 59.568 1.00 0.00 H +ATOM 8389 CB LYS 544 56.010 25.730 58.080 1.00 0.00 C +ATOM 8390 HB1 LYS 544 55.058 25.740 57.508 1.00 0.00 H +ATOM 8391 HB2 LYS 544 56.718 25.860 57.232 1.00 0.00 H +ATOM 8392 CG LYS 544 56.010 24.400 58.890 1.00 0.00 C +ATOM 8393 HG1 LYS 544 56.718 24.390 59.748 1.00 0.00 H +ATOM 8394 HG2 LYS 544 55.002 24.258 59.334 1.00 0.00 H +ATOM 8395 CD LYS 544 56.290 23.260 57.950 1.00 0.00 C +ATOM 8396 HD1 LYS 544 55.756 23.380 56.984 1.00 0.00 H +ATOM 8397 HD2 LYS 544 57.364 23.400 57.702 1.00 0.00 H +ATOM 8398 CE LYS 544 56.010 21.910 58.550 1.00 0.00 C +ATOM 8399 HE1 LYS 544 56.510 21.660 59.510 1.00 0.00 H +ATOM 8400 HE2 LYS 544 54.910 21.790 58.640 1.00 0.00 H +ATOM 8401 NZ LYS 544 56.560 20.850 57.690 1.00 0.00 N +ATOM 8402 HZ1 LYS 544 57.574 20.700 57.868 1.00 0.00 H +ATOM 8403 HZ2 LYS 544 55.996 19.996 57.870 1.00 0.00 H +ATOM 8404 HZ3 LYS 544 56.520 21.148 56.694 1.00 0.00 H +ATOM 8405 C LYS 544 55.810 28.240 58.240 1.00 0.00 C +ATOM 8406 O LYS 544 55.070 28.340 57.190 1.00 0.00 O +ATOM 8407 N TRP 545 56.450 29.300 58.720 1.00 0.00 N +ATOM 8408 HN TRP 545 57.140 29.190 59.430 1.00 0.00 H +ATOM 8409 CA TRP 545 56.440 30.540 57.940 1.00 0.00 C +ATOM 8410 HA TRP 545 56.370 30.350 56.880 1.00 0.00 H +ATOM 8411 CB TRP 545 55.360 31.540 58.580 1.00 0.00 C +ATOM 8412 HB1 TRP 545 54.380 31.020 58.510 1.00 0.00 H +ATOM 8413 HB2 TRP 545 55.620 31.790 59.630 1.00 0.00 H +ATOM 8414 CG TRP 545 55.000 32.680 57.730 1.00 0.00 C +ATOM 8415 CD1 TRP 545 55.540 33.940 57.850 1.00 0.00 C +ATOM 8416 HD1 TRP 545 56.132 34.210 58.712 1.00 0.00 H +ATOM 8417 NE1 TRP 545 55.300 34.690 56.740 1.00 0.00 N +ATOM 8418 HE1 TRP 545 55.822 35.484 56.518 1.00 0.00 H +ATOM 8419 CE2 TRP 545 54.550 33.880 55.820 1.00 0.00 C +ATOM 8420 CD2 TRP 545 54.380 32.590 56.490 1.00 0.00 C +ATOM 8421 CE3 TRP 545 53.740 31.580 55.850 1.00 0.00 C +ATOM 8422 HE3 TRP 545 53.600 30.580 56.230 1.00 0.00 H +ATOM 8423 CZ3 TRP 545 53.200 31.860 54.670 1.00 0.00 C +ATOM 8424 HZ3 TRP 545 52.532 31.112 54.270 1.00 0.00 H +ATOM 8425 CZ2 TRP 545 53.950 34.170 54.600 1.00 0.00 C +ATOM 8426 HZ2 TRP 545 54.000 35.150 54.150 1.00 0.00 H +ATOM 8427 CH2 TRP 545 53.230 33.130 54.060 1.00 0.00 C +ATOM 8428 HH2 TRP 545 52.902 33.290 53.044 1.00 0.00 H +ATOM 8429 C TRP 545 57.770 31.240 58.160 1.00 0.00 C +ATOM 8430 O TRP 545 58.310 31.370 59.270 1.00 0.00 O +ATOM 8431 N ASP 546 58.280 31.750 57.010 1.00 0.00 N +ATOM 8432 HN ASP 546 57.708 32.012 56.236 1.00 0.00 H +ATOM 8433 CA ASP 546 59.660 32.310 57.030 1.00 0.00 C +ATOM 8434 HA ASP 546 59.760 32.888 57.938 1.00 0.00 H +ATOM 8435 CB ASP 546 60.740 31.210 57.070 1.00 0.00 C +ATOM 8436 HB1 ASP 546 61.690 31.650 57.440 1.00 0.00 H +ATOM 8437 HB2 ASP 546 60.428 30.366 57.722 1.00 0.00 H +ATOM 8438 CG ASP 546 61.060 30.700 55.650 1.00 0.00 C +ATOM 8439 OD1 ASP 546 61.800 31.410 54.900 1.00 0.00 O +ATOM 8440 OD2 ASP 546 60.620 29.600 55.340 1.00 0.00 O +ATOM 8441 C ASP 546 59.760 33.260 55.910 1.00 0.00 C +ATOM 8442 O ASP 546 58.880 33.360 55.050 1.00 0.00 O +ATOM 8443 N ARG 547 60.760 34.150 55.940 1.00 0.00 N +ATOM 8444 HN ARG 547 61.402 34.170 56.702 1.00 0.00 H +ATOM 8445 CA ARG 547 60.920 35.250 55.010 1.00 0.00 C +ATOM 8446 HA ARG 547 60.052 35.888 55.090 1.00 0.00 H +ATOM 8447 CB ARG 547 62.110 36.160 55.410 1.00 0.00 C +ATOM 8448 HB1 ARG 547 62.120 37.130 54.870 1.00 0.00 H +ATOM 8449 HB2 ARG 547 61.970 36.420 56.480 1.00 0.00 H +ATOM 8450 CG ARG 547 63.560 35.590 55.310 1.00 0.00 C +ATOM 8451 HG1 ARG 547 63.550 34.540 55.670 1.00 0.00 H +ATOM 8452 HG2 ARG 547 63.940 35.520 54.268 1.00 0.00 H +ATOM 8453 CD ARG 547 64.550 36.340 56.310 1.00 0.00 C +ATOM 8454 HD1 ARG 547 64.022 36.360 57.288 1.00 0.00 H +ATOM 8455 HD2 ARG 547 65.490 35.750 56.260 1.00 0.00 H +ATOM 8456 NE ARG 547 64.640 37.730 55.750 1.00 0.00 N +ATOM 8457 HE ARG 547 65.282 37.870 54.998 1.00 0.00 H +ATOM 8458 CZ ARG 547 64.360 38.820 56.430 1.00 0.00 C +ATOM 8459 NH1 ARG 547 63.870 38.790 57.630 1.00 0.00 N +ATOM 8460 1HH1 ARG 547 63.600 37.950 58.100 1.00 0.00 H +ATOM 8461 2HH1 ARG 547 63.830 39.576 58.248 1.00 0.00 H +ATOM 8462 NH2 ARG 547 64.790 39.960 55.950 1.00 0.00 N +ATOM 8463 1HH2 ARG 547 65.496 39.940 55.244 1.00 0.00 H +ATOM 8464 2HH2 ARG 547 64.770 40.784 56.516 1.00 0.00 H +ATOM 8465 C ARG 547 61.010 34.990 53.490 1.00 0.00 C +ATOM 8466 O ARG 547 60.640 35.850 52.700 1.00 0.00 O +ATOM 8467 N LYS 548 61.500 33.790 53.150 1.00 0.00 N +ATOM 8468 HN LYS 548 61.580 33.062 53.828 1.00 0.00 H +ATOM 8469 CA LYS 548 61.590 33.410 51.770 1.00 0.00 C +ATOM 8470 HA LYS 548 61.860 34.300 51.220 1.00 0.00 H +ATOM 8471 CB LYS 548 62.400 32.080 51.540 1.00 0.00 C +ATOM 8472 HB1 LYS 548 61.822 31.292 52.068 1.00 0.00 H +ATOM 8473 HB2 LYS 548 62.430 31.810 50.462 1.00 0.00 H +ATOM 8474 CG LYS 548 63.750 32.060 52.200 1.00 0.00 C +ATOM 8475 HG1 LYS 548 63.600 32.310 53.272 1.00 0.00 H +ATOM 8476 HG2 LYS 548 64.108 31.024 52.010 1.00 0.00 H +ATOM 8477 CD LYS 548 64.730 33.190 51.570 1.00 0.00 C +ATOM 8478 HD1 LYS 548 64.560 33.260 50.474 1.00 0.00 H +ATOM 8479 HD2 LYS 548 64.430 34.108 52.120 1.00 0.00 H +ATOM 8480 CE LYS 548 66.200 32.800 51.780 1.00 0.00 C +ATOM 8481 HE1 LYS 548 66.320 32.240 52.732 1.00 0.00 H +ATOM 8482 HE2 LYS 548 66.480 32.112 50.952 1.00 0.00 H +ATOM 8483 NZ LYS 548 67.130 33.980 51.740 1.00 0.00 N +ATOM 8484 HZ1 LYS 548 66.870 34.842 52.262 1.00 0.00 H +ATOM 8485 HZ2 LYS 548 68.004 33.708 52.232 1.00 0.00 H +ATOM 8486 HZ3 LYS 548 67.382 34.140 50.744 1.00 0.00 H +ATOM 8487 C LYS 548 60.200 33.120 51.160 1.00 0.00 C +ATOM 8488 O LYS 548 60.000 33.070 49.930 1.00 0.00 O +ATOM 8489 N MET 549 59.180 33.000 52.030 1.00 0.00 N +ATOM 8490 HN MET 549 59.368 33.128 53.002 1.00 0.00 H +ATOM 8491 CA MET 549 57.790 33.020 51.550 1.00 0.00 C +ATOM 8492 HA MET 549 57.720 32.252 50.792 1.00 0.00 H +ATOM 8493 CB MET 549 56.710 32.710 52.550 1.00 0.00 C +ATOM 8494 HB1 MET 549 56.938 33.328 53.446 1.00 0.00 H +ATOM 8495 HB2 MET 549 55.718 32.980 52.130 1.00 0.00 H +ATOM 8496 CG MET 549 56.760 31.260 53.030 1.00 0.00 C +ATOM 8497 HG1 MET 549 57.788 30.980 53.350 1.00 0.00 H +ATOM 8498 HG2 MET 549 56.320 31.120 54.040 1.00 0.00 H +ATOM 8499 SD MET 549 56.110 30.030 51.840 1.00 0.00 S +ATOM 8500 CE MET 549 54.280 30.310 51.890 1.00 0.00 C +ATOM 8501 HE1 MET 549 53.810 29.840 51.000 1.00 0.00 H +ATOM 8502 HE2 MET 549 53.860 29.798 52.782 1.00 0.00 H +ATOM 8503 HE3 MET 549 54.180 31.416 51.920 1.00 0.00 H +ATOM 8504 C MET 549 57.400 34.350 50.870 1.00 0.00 C +ATOM 8505 O MET 549 56.640 34.510 49.910 1.00 0.00 O +ATOM 8506 N ASP 550 58.100 35.400 51.360 1.00 0.00 N +ATOM 8507 HN ASP 550 58.892 35.230 51.942 1.00 0.00 H +ATOM 8508 CA ASP 550 57.910 36.750 50.830 1.00 0.00 C +ATOM 8509 HA ASP 550 56.970 36.780 50.300 1.00 0.00 H +ATOM 8510 CB ASP 550 57.920 37.870 51.970 1.00 0.00 C +ATOM 8511 HB1 ASP 550 58.734 37.528 52.644 1.00 0.00 H +ATOM 8512 HB2 ASP 550 57.980 38.916 51.602 1.00 0.00 H +ATOM 8513 CG ASP 550 56.620 37.780 52.750 1.00 0.00 C +ATOM 8514 OD1 ASP 550 55.520 37.430 52.250 1.00 0.00 O +ATOM 8515 OD2 ASP 550 56.610 38.370 53.890 1.00 0.00 O +ATOM 8516 C ASP 550 59.000 37.100 49.830 1.00 0.00 C +ATOM 8517 O ASP 550 59.160 38.250 49.330 1.00 0.00 O +ATOM 8518 N TYR 551 59.930 36.160 49.420 1.00 0.00 N +ATOM 8519 HN TYR 551 59.750 35.218 49.690 1.00 0.00 H +ATOM 8520 CA TYR 551 60.860 36.420 48.330 1.00 0.00 C +ATOM 8521 HA TYR 551 61.190 37.442 48.430 1.00 0.00 H +ATOM 8522 CB TYR 551 62.090 35.540 48.440 1.00 0.00 C +ATOM 8523 HB1 TYR 551 61.820 34.560 48.890 1.00 0.00 H +ATOM 8524 HB2 TYR 551 62.542 35.198 47.486 1.00 0.00 H +ATOM 8525 CG TYR 551 63.270 36.000 49.400 1.00 0.00 C +ATOM 8526 CD1 TYR 551 64.580 35.870 48.960 1.00 0.00 C +ATOM 8527 HD1 TYR 551 64.640 35.590 47.918 1.00 0.00 H +ATOM 8528 CE1 TYR 551 65.650 35.950 49.840 1.00 0.00 C +ATOM 8529 HE1 TYR 551 66.672 35.810 49.520 1.00 0.00 H +ATOM 8530 CZ TYR 551 65.430 36.470 51.120 1.00 0.00 C +ATOM 8531 OH TYR 551 66.540 36.740 51.910 1.00 0.00 O +ATOM 8532 HH TYR 551 66.310 37.532 52.402 1.00 0.00 H +ATOM 8533 CD2 TYR 551 63.090 36.660 50.650 1.00 0.00 C +ATOM 8534 HD2 TYR 551 62.062 36.640 50.980 1.00 0.00 H +ATOM 8535 CE2 TYR 551 64.170 36.890 51.530 1.00 0.00 C +ATOM 8536 HE2 TYR 551 64.050 37.288 52.526 1.00 0.00 H +ATOM 8537 C TYR 551 60.240 36.280 46.920 1.00 0.00 C +ATOM 8538 O TYR 551 59.520 35.350 46.620 1.00 0.00 O +ATOM 8539 N PRO 552 60.490 37.250 45.990 1.00 0.00 N +ATOM 8540 CD PRO 552 61.210 38.460 46.210 1.00 0.00 C +ATOM 8541 HD1 PRO 552 62.110 38.260 46.830 1.00 0.00 H +ATOM 8542 HD2 PRO 552 60.582 39.318 46.530 1.00 0.00 H +ATOM 8543 CA PRO 552 60.260 36.960 44.560 1.00 0.00 C +ATOM 8544 HA PRO 552 59.200 36.790 44.440 1.00 0.00 H +ATOM 8545 CB PRO 552 60.520 38.300 43.910 1.00 0.00 C +ATOM 8546 HB1 PRO 552 60.800 38.190 42.840 1.00 0.00 H +ATOM 8547 HB2 PRO 552 59.584 38.898 43.890 1.00 0.00 H +ATOM 8548 CG PRO 552 61.620 38.860 44.790 1.00 0.00 C +ATOM 8549 HG1 PRO 552 62.572 38.368 44.500 1.00 0.00 H +ATOM 8550 HG2 PRO 552 61.850 39.942 44.680 1.00 0.00 H +ATOM 8551 C PRO 552 61.060 35.770 43.990 1.00 0.00 C +ATOM 8552 O PRO 552 61.870 35.210 44.750 1.00 0.00 O +ATOM 8553 N PRO 553 60.750 35.390 42.710 1.00 0.00 N +ATOM 8554 CD PRO 553 59.720 36.020 41.740 1.00 0.00 C +ATOM 8555 HD1 PRO 553 60.280 36.760 41.130 1.00 0.00 H +ATOM 8556 HD2 PRO 553 58.766 36.382 42.182 1.00 0.00 H +ATOM 8557 CA PRO 553 61.350 34.190 42.100 1.00 0.00 C +ATOM 8558 HA PRO 553 61.110 33.384 42.778 1.00 0.00 H +ATOM 8559 CB PRO 553 60.790 34.010 40.750 1.00 0.00 C +ATOM 8560 HB1 PRO 553 61.414 34.634 40.076 1.00 0.00 H +ATOM 8561 HB2 PRO 553 60.640 33.004 40.302 1.00 0.00 H +ATOM 8562 CG PRO 553 59.440 34.790 40.880 1.00 0.00 C +ATOM 8563 HG1 PRO 553 58.902 35.010 39.932 1.00 0.00 H +ATOM 8564 HG2 PRO 553 58.782 34.142 41.498 1.00 0.00 H +ATOM 8565 C PRO 553 62.860 34.140 42.040 1.00 0.00 C +ATOM 8566 O PRO 553 63.510 35.190 42.020 1.00 0.00 O +ATOM 8567 N LYS 554 63.480 33.020 41.950 1.00 0.00 N +ATOM 8568 HN LYS 554 62.952 32.182 42.060 1.00 0.00 H +ATOM 8569 CA LYS 554 64.890 32.850 41.930 1.00 0.00 C +ATOM 8570 HA LYS 554 65.258 33.348 42.816 1.00 0.00 H +ATOM 8571 CB LYS 554 65.250 31.350 42.100 1.00 0.00 C +ATOM 8572 HB1 LYS 554 64.568 30.938 42.874 1.00 0.00 H +ATOM 8573 HB2 LYS 554 64.990 30.832 41.152 1.00 0.00 H +ATOM 8574 CG LYS 554 66.710 31.100 42.430 1.00 0.00 C +ATOM 8575 HG1 LYS 554 67.316 31.656 41.684 1.00 0.00 H +ATOM 8576 HG2 LYS 554 66.990 31.528 43.416 1.00 0.00 H +ATOM 8577 CD LYS 554 67.070 29.640 42.220 1.00 0.00 C +ATOM 8578 HD1 LYS 554 66.760 29.112 43.148 1.00 0.00 H +ATOM 8579 HD2 LYS 554 66.462 29.330 41.342 1.00 0.00 H +ATOM 8580 CE LYS 554 68.510 29.480 41.950 1.00 0.00 C +ATOM 8581 HE1 LYS 554 68.680 29.890 40.932 1.00 0.00 H +ATOM 8582 HE2 LYS 554 69.164 29.952 42.714 1.00 0.00 H +ATOM 8583 NZ LYS 554 68.950 28.040 41.900 1.00 0.00 N +ATOM 8584 HZ1 LYS 554 68.250 27.390 41.490 1.00 0.00 H +ATOM 8585 HZ2 LYS 554 69.862 28.060 41.400 1.00 0.00 H +ATOM 8586 HZ3 LYS 554 69.080 27.610 42.838 1.00 0.00 H +ATOM 8587 C LYS 554 65.560 33.490 40.740 1.00 0.00 C +ATOM 8588 O LYS 554 66.610 34.100 40.920 1.00 0.00 O +ATOM 8589 N ARG 555 64.930 33.410 39.550 1.00 0.00 N +ATOM 8590 HN ARG 555 64.046 32.958 39.630 1.00 0.00 H +ATOM 8591 CA ARG 555 65.390 33.990 38.260 1.00 0.00 C +ATOM 8592 HA ARG 555 66.292 33.458 38.000 1.00 0.00 H +ATOM 8593 CB ARG 555 64.410 33.710 37.100 1.00 0.00 C +ATOM 8594 HB1 ARG 555 64.650 32.678 36.770 1.00 0.00 H +ATOM 8595 HB2 ARG 555 63.434 33.640 37.628 1.00 0.00 H +ATOM 8596 CG ARG 555 64.460 34.690 35.900 1.00 0.00 C +ATOM 8597 HG1 ARG 555 64.240 35.672 36.370 1.00 0.00 H +ATOM 8598 HG2 ARG 555 65.550 34.670 35.690 1.00 0.00 H +ATOM 8599 CD ARG 555 63.730 34.350 34.600 1.00 0.00 C +ATOM 8600 HD1 ARG 555 62.638 34.300 34.800 1.00 0.00 H +ATOM 8601 HD2 ARG 555 63.950 35.140 33.850 1.00 0.00 H +ATOM 8602 NE ARG 555 64.410 33.110 34.130 1.00 0.00 N +ATOM 8603 HE ARG 555 65.324 32.952 34.508 1.00 0.00 H +ATOM 8604 CZ ARG 555 64.020 32.260 33.180 1.00 0.00 C +ATOM 8605 NH1 ARG 555 62.770 32.220 32.690 1.00 0.00 N +ATOM 8606 1HH1 ARG 555 62.080 32.930 32.840 1.00 0.00 H +ATOM 8607 2HH1 ARG 555 62.610 31.590 31.930 1.00 0.00 H +ATOM 8608 NH2 ARG 555 64.880 31.430 32.610 1.00 0.00 N +ATOM 8609 1HH2 ARG 555 65.860 31.550 32.770 1.00 0.00 H +ATOM 8610 2HH2 ARG 555 64.542 30.774 31.934 1.00 0.00 H +ATOM 8611 C ARG 555 65.790 35.360 38.450 1.00 0.00 C +ATOM 8612 O ARG 555 66.870 35.770 37.880 1.00 0.00 O +ATOM 8613 N TRP 556 65.040 36.210 39.210 1.00 0.00 N +ATOM 8614 HN TRP 556 64.306 35.892 39.806 1.00 0.00 H +ATOM 8615 CA TRP 556 65.410 37.630 39.280 1.00 0.00 C +ATOM 8616 HA TRP 556 65.530 37.970 38.262 1.00 0.00 H +ATOM 8617 CB TRP 556 64.190 38.500 39.680 1.00 0.00 C +ATOM 8618 HB1 TRP 556 63.870 38.220 40.708 1.00 0.00 H +ATOM 8619 HB2 TRP 556 64.490 39.568 39.750 1.00 0.00 H +ATOM 8620 CG TRP 556 62.950 38.540 38.810 1.00 0.00 C +ATOM 8621 CD1 TRP 556 62.920 38.430 37.480 1.00 0.00 C +ATOM 8622 HD1 TRP 556 63.776 38.310 36.832 1.00 0.00 H +ATOM 8623 NE1 TRP 556 61.610 38.460 37.050 1.00 0.00 N +ATOM 8624 HE1 TRP 556 61.442 38.788 36.146 1.00 0.00 H +ATOM 8625 CE2 TRP 556 60.830 38.710 38.100 1.00 0.00 C +ATOM 8626 CD2 TRP 556 61.650 38.840 39.240 1.00 0.00 C +ATOM 8627 CE3 TRP 556 61.130 39.470 40.420 1.00 0.00 C +ATOM 8628 HE3 TRP 556 61.840 39.700 41.200 1.00 0.00 H +ATOM 8629 CZ3 TRP 556 59.810 39.740 40.470 1.00 0.00 C +ATOM 8630 HZ3 TRP 556 59.312 40.058 41.374 1.00 0.00 H +ATOM 8631 CZ2 TRP 556 59.510 39.150 38.130 1.00 0.00 C +ATOM 8632 HZ2 TRP 556 58.908 39.010 37.246 1.00 0.00 H +ATOM 8633 CH2 TRP 556 58.980 39.600 39.380 1.00 0.00 C +ATOM 8634 HH2 TRP 556 57.940 39.890 39.420 1.00 0.00 H +ATOM 8635 C TRP 556 66.600 38.020 40.000 1.00 0.00 C +ATOM 8636 O TRP 556 67.070 39.150 40.030 1.00 0.00 O +ATOM 8637 N PHE 557 67.180 36.970 40.720 1.00 0.00 N +ATOM 8638 HN PHE 557 66.614 36.156 40.830 1.00 0.00 H +ATOM 8639 CA PHE 557 68.350 37.180 41.490 1.00 0.00 C +ATOM 8640 HA PHE 557 68.490 38.242 41.620 1.00 0.00 H +ATOM 8641 CB PHE 557 68.340 36.590 42.920 1.00 0.00 C +ATOM 8642 HB1 PHE 557 68.270 35.486 42.820 1.00 0.00 H +ATOM 8643 HB2 PHE 557 69.310 36.920 43.350 1.00 0.00 H +ATOM 8644 CG PHE 557 67.170 37.140 43.700 1.00 0.00 C +ATOM 8645 CD1 PHE 557 67.200 38.510 44.150 1.00 0.00 C +ATOM 8646 HD1 PHE 557 68.060 39.120 43.910 1.00 0.00 H +ATOM 8647 CE1 PHE 557 66.280 38.990 45.050 1.00 0.00 C +ATOM 8648 HE1 PHE 557 66.482 39.966 45.462 1.00 0.00 H +ATOM 8649 CZ PHE 557 65.280 38.110 45.470 1.00 0.00 C +ATOM 8650 HZ PHE 557 64.598 38.310 46.282 1.00 0.00 H +ATOM 8651 CD2 PHE 557 66.060 36.310 43.980 1.00 0.00 C +ATOM 8652 HD2 PHE 557 66.140 35.358 43.478 1.00 0.00 H +ATOM 8653 CE2 PHE 557 65.170 36.790 44.910 1.00 0.00 C +ATOM 8654 HE2 PHE 557 64.300 36.200 45.160 1.00 0.00 H +ATOM 8655 C PHE 557 69.500 36.460 40.740 1.00 0.00 C +ATOM 8656 O PHE 557 70.690 36.500 41.140 1.00 0.00 O +ATOM 8657 N THR 558 69.220 35.780 39.610 1.00 0.00 N +ATOM 8658 HN THR 558 68.282 35.860 39.280 1.00 0.00 H +ATOM 8659 CA THR 558 70.140 34.790 39.030 1.00 0.00 C +ATOM 8660 HA THR 558 71.136 34.930 39.422 1.00 0.00 H +ATOM 8661 CB THR 558 69.790 33.300 39.390 1.00 0.00 C +ATOM 8662 HB THR 558 70.426 32.564 38.852 1.00 0.00 H +ATOM 8663 OG1 THR 558 68.380 33.050 39.210 1.00 0.00 O +ATOM 8664 HG1 THR 558 67.878 33.542 39.864 1.00 0.00 H +ATOM 8665 CG2 THR 558 70.200 33.030 40.860 1.00 0.00 C +ATOM 8666 1HG2 THR 558 69.678 33.812 41.452 1.00 0.00 H +ATOM 8667 2HG2 THR 558 69.880 32.010 41.160 1.00 0.00 H +ATOM 8668 3HG2 THR 558 71.286 33.150 41.060 1.00 0.00 H +ATOM 8669 C THR 558 70.390 34.950 37.570 1.00 0.00 C +ATOM 8670 O THR 558 71.450 34.610 37.070 1.00 0.00 O +ATOM 8671 N GLU 559 69.450 35.730 36.850 1.00 0.00 N +ATOM 8672 HN GLU 559 68.582 36.020 37.248 1.00 0.00 H +ATOM 8673 CA GLU 559 69.530 36.110 35.520 1.00 0.00 C +ATOM 8674 HA GLU 559 70.530 36.040 35.120 1.00 0.00 H +ATOM 8675 CB GLU 559 68.500 35.230 34.590 1.00 0.00 C +ATOM 8676 HB1 GLU 559 67.480 35.240 35.030 1.00 0.00 H +ATOM 8677 HB2 GLU 559 68.410 35.550 33.530 1.00 0.00 H +ATOM 8678 CG GLU 559 68.910 33.650 34.510 1.00 0.00 C +ATOM 8679 HG1 GLU 559 69.912 33.630 34.030 1.00 0.00 H +ATOM 8680 HG2 GLU 559 69.010 33.300 35.560 1.00 0.00 H +ATOM 8681 CD GLU 559 67.870 32.850 33.810 1.00 0.00 C +ATOM 8682 OE1 GLU 559 66.980 32.290 34.490 1.00 0.00 O +ATOM 8683 OE2 GLU 559 67.900 32.570 32.610 1.00 0.00 O +ATOM 8684 C GLU 559 69.220 37.530 35.440 1.00 0.00 C +ATOM 8685 O GLU 559 68.580 38.060 36.280 1.00 0.00 O +ATOM 8686 N GLY 560 69.750 38.240 34.430 1.00 0.00 N +ATOM 8687 HN GLY 560 70.232 37.748 33.708 1.00 0.00 H +ATOM 8688 CA GLY 560 69.390 39.640 34.100 1.00 0.00 C +ATOM 8689 HA1 GLY 560 68.634 40.028 34.766 1.00 0.00 H +ATOM 8690 HA2 GLY 560 70.286 40.224 34.250 1.00 0.00 H +ATOM 8691 C GLY 560 68.900 39.780 32.700 1.00 0.00 C +ATOM 8692 O GLY 560 68.770 38.860 31.950 1.00 0.00 O +ATOM 8693 N LEU 561 68.570 41.110 32.340 1.00 0.00 N +ATOM 8694 HN LEU 561 68.770 41.770 33.060 1.00 0.00 H +ATOM 8695 CA LEU 561 68.090 41.570 31.040 1.00 0.00 C +ATOM 8696 HA LEU 561 67.158 41.048 30.880 1.00 0.00 H +ATOM 8697 CB LEU 561 67.740 43.110 31.130 1.00 0.00 C +ATOM 8698 HB1 LEU 561 68.650 43.640 31.480 1.00 0.00 H +ATOM 8699 HB2 LEU 561 67.480 43.520 30.130 1.00 0.00 H +ATOM 8700 CG LEU 561 66.700 43.550 32.120 1.00 0.00 C +ATOM 8701 HG LEU 561 66.860 43.038 33.092 1.00 0.00 H +ATOM 8702 CD1 LEU 561 66.770 45.060 32.280 1.00 0.00 C +ATOM 8703 1HD1 LEU 561 67.646 45.408 32.868 1.00 0.00 H +ATOM 8704 2HD1 LEU 561 66.700 45.490 31.258 1.00 0.00 H +ATOM 8705 3HD1 LEU 561 65.830 45.390 32.770 1.00 0.00 H +ATOM 8706 CD2 LEU 561 65.240 43.220 31.690 1.00 0.00 C +ATOM 8707 1HD2 LEU 561 64.488 43.712 32.342 1.00 0.00 H +ATOM 8708 2HD2 LEU 561 65.150 43.682 30.684 1.00 0.00 H +ATOM 8709 3HD2 LEU 561 65.160 42.112 31.660 1.00 0.00 H +ATOM 8710 C LEU 561 69.070 41.430 29.900 1.00 0.00 C +ATOM 8711 O LEU 561 70.250 41.640 30.020 1.00 0.00 O +ATOM 8712 N LYS 562 68.580 41.000 28.750 1.00 0.00 N +ATOM 8713 HN LYS 562 67.622 40.910 28.488 1.00 0.00 H +ATOM 8714 CA LYS 562 69.450 40.650 27.630 1.00 0.00 C +ATOM 8715 HA LYS 562 70.392 40.230 27.950 1.00 0.00 H +ATOM 8716 CB LYS 562 68.920 39.490 26.800 1.00 0.00 C +ATOM 8717 HB1 LYS 562 68.198 39.720 25.988 1.00 0.00 H +ATOM 8718 HB2 LYS 562 69.764 39.052 26.224 1.00 0.00 H +ATOM 8719 CG LYS 562 68.350 38.370 27.690 1.00 0.00 C +ATOM 8720 HG1 LYS 562 69.020 38.210 28.560 1.00 0.00 H +ATOM 8721 HG2 LYS 562 67.450 38.820 28.160 1.00 0.00 H +ATOM 8722 CD LYS 562 68.020 37.170 26.860 1.00 0.00 C +ATOM 8723 HD1 LYS 562 67.428 37.622 26.036 1.00 0.00 H +ATOM 8724 HD2 LYS 562 68.956 36.882 26.332 1.00 0.00 H +ATOM 8725 CE LYS 562 67.410 36.040 27.590 1.00 0.00 C +ATOM 8726 HE1 LYS 562 68.196 35.862 28.356 1.00 0.00 H +ATOM 8727 HE2 LYS 562 66.420 36.370 27.970 1.00 0.00 H +ATOM 8728 NZ LYS 562 67.470 34.900 26.680 1.00 0.00 N +ATOM 8729 HZ1 LYS 562 66.872 34.960 25.832 1.00 0.00 H +ATOM 8730 HZ2 LYS 562 68.466 34.970 26.390 1.00 0.00 H +ATOM 8731 HZ3 LYS 562 67.390 33.988 27.172 1.00 0.00 H +ATOM 8732 C LYS 562 69.670 41.860 26.760 1.00 0.00 C +ATOM 8733 O LYS 562 70.490 41.710 25.880 1.00 0.00 O +ATOM 8734 N SER 563 69.150 43.040 26.990 1.00 0.00 N +ATOM 8735 HN SER 563 68.690 43.130 27.870 1.00 0.00 H +ATOM 8736 CA SER 563 69.380 44.180 26.140 1.00 0.00 C +ATOM 8737 HA SER 563 70.434 44.230 25.910 1.00 0.00 H +ATOM 8738 CB SER 563 68.550 44.000 24.820 1.00 0.00 C +ATOM 8739 HB1 SER 563 69.100 44.610 24.070 1.00 0.00 H +ATOM 8740 HB2 SER 563 68.570 42.974 24.392 1.00 0.00 H +ATOM 8741 OG SER 563 67.240 44.510 24.910 1.00 0.00 O +ATOM 8742 HG1 SER 563 66.828 44.138 25.694 1.00 0.00 H +ATOM 8743 C SER 563 69.040 45.470 26.890 1.00 0.00 C +ATOM 8744 O SER 563 68.450 45.450 27.990 1.00 0.00 O +ATOM 8745 N GLY 564 69.420 46.590 26.330 1.00 0.00 N +ATOM 8746 HN GLY 564 69.940 46.660 25.482 1.00 0.00 H +ATOM 8747 CA GLY 564 69.030 47.900 26.750 1.00 0.00 C +ATOM 8748 HA1 GLY 564 69.080 48.562 25.898 1.00 0.00 H +ATOM 8749 HA2 GLY 564 68.012 47.820 27.100 1.00 0.00 H +ATOM 8750 C GLY 564 69.970 48.450 27.830 1.00 0.00 C +ATOM 8751 O GLY 564 71.030 47.870 28.060 1.00 0.00 O +ATOM 8752 N PRO 565 69.650 49.570 28.440 1.00 0.00 N +ATOM 8753 CD PRO 565 68.570 50.450 27.980 1.00 0.00 C +ATOM 8754 HD1 PRO 565 67.566 49.988 27.870 1.00 0.00 H +ATOM 8755 HD2 PRO 565 68.820 50.860 26.978 1.00 0.00 H +ATOM 8756 CA PRO 565 70.720 50.280 29.160 1.00 0.00 C +ATOM 8757 HA PRO 565 71.662 50.370 28.640 1.00 0.00 H +ATOM 8758 CB PRO 565 70.030 51.740 29.360 1.00 0.00 C +ATOM 8759 HB1 PRO 565 70.220 52.180 30.362 1.00 0.00 H +ATOM 8760 HB2 PRO 565 70.472 52.414 28.596 1.00 0.00 H +ATOM 8761 CG PRO 565 68.520 51.610 29.020 1.00 0.00 C +ATOM 8762 HG1 PRO 565 67.914 51.322 29.906 1.00 0.00 H +ATOM 8763 HG2 PRO 565 68.152 52.606 28.692 1.00 0.00 H +ATOM 8764 C PRO 565 70.990 49.540 30.500 1.00 0.00 C +ATOM 8765 O PRO 565 72.050 49.770 31.090 1.00 0.00 O +ATOM 8766 N HIS 566 70.080 48.680 30.950 1.00 0.00 N +ATOM 8767 HN HIS 566 69.294 48.472 30.372 1.00 0.00 H +ATOM 8768 CA HIS 566 70.360 47.890 32.110 1.00 0.00 C +ATOM 8769 HA HIS 566 71.334 48.168 32.488 1.00 0.00 H +ATOM 8770 CB HIS 566 69.200 47.920 33.140 1.00 0.00 C +ATOM 8771 HB1 HIS 566 68.306 47.650 32.538 1.00 0.00 H +ATOM 8772 HB2 HIS 566 69.510 47.180 33.910 1.00 0.00 H +ATOM 8773 ND1 HIS 566 69.300 49.580 35.020 1.00 0.00 N +ATOM 8774 HD1 HIS 566 70.096 49.262 35.536 1.00 0.00 H +ATOM 8775 CG HIS 566 68.950 49.260 33.720 1.00 0.00 C +ATOM 8776 CE1 HIS 566 68.830 50.820 35.300 1.00 0.00 C +ATOM 8777 HE1 HIS 566 69.040 51.422 36.184 1.00 0.00 H +ATOM 8778 NE2 HIS 566 68.210 51.310 34.270 1.00 0.00 N +ATOM 8779 CD2 HIS 566 68.250 50.310 33.250 1.00 0.00 C +ATOM 8780 HD2 HIS 566 67.740 50.430 32.302 1.00 0.00 H +ATOM 8781 C HIS 566 70.630 46.410 31.640 1.00 0.00 C +ATOM 8782 O HIS 566 70.310 45.520 32.420 1.00 0.00 O +ATOM 8783 N LYS 567 71.190 46.090 30.420 1.00 0.00 N +ATOM 8784 HN LYS 567 71.380 46.782 29.728 1.00 0.00 H +ATOM 8785 CA LYS 567 71.610 44.810 30.090 1.00 0.00 C +ATOM 8786 HA LYS 567 70.734 44.184 30.000 1.00 0.00 H +ATOM 8787 CB LYS 567 72.290 44.810 28.750 1.00 0.00 C +ATOM 8788 HB1 LYS 567 71.542 45.100 27.982 1.00 0.00 H +ATOM 8789 HB2 LYS 567 73.048 45.618 28.660 1.00 0.00 H +ATOM 8790 CG LYS 567 72.910 43.500 28.320 1.00 0.00 C +ATOM 8791 HG1 LYS 567 73.744 43.148 28.964 1.00 0.00 H +ATOM 8792 HG2 LYS 567 72.100 42.740 28.330 1.00 0.00 H +ATOM 8793 CD LYS 567 73.420 43.560 26.820 1.00 0.00 C +ATOM 8794 HD1 LYS 567 72.566 43.948 26.224 1.00 0.00 H +ATOM 8795 HD2 LYS 567 74.322 44.202 26.720 1.00 0.00 H +ATOM 8796 CE LYS 567 73.660 42.080 26.330 1.00 0.00 C +ATOM 8797 HE1 LYS 567 74.474 41.556 26.874 1.00 0.00 H +ATOM 8798 HE2 LYS 567 72.748 41.458 26.460 1.00 0.00 H +ATOM 8799 NZ LYS 567 73.930 42.130 24.890 1.00 0.00 N +ATOM 8800 HZ1 LYS 567 73.830 41.140 24.590 1.00 0.00 H +ATOM 8801 HZ2 LYS 567 73.128 42.642 24.470 1.00 0.00 H +ATOM 8802 HZ3 LYS 567 74.846 42.598 24.730 1.00 0.00 H +ATOM 8803 C LYS 567 72.570 44.110 31.130 1.00 0.00 C +ATOM 8804 O LYS 567 73.590 44.670 31.650 1.00 0.00 O +ATOM 8805 N GLY 568 72.170 42.900 31.600 1.00 0.00 N +ATOM 8806 HN GLY 568 71.308 42.454 31.372 1.00 0.00 H +ATOM 8807 CA GLY 568 72.900 42.020 32.480 1.00 0.00 C +ATOM 8808 HA1 GLY 568 72.338 41.108 32.350 1.00 0.00 H +ATOM 8809 HA2 GLY 568 73.960 42.020 32.270 1.00 0.00 H +ATOM 8810 C GLY 568 72.710 42.280 33.920 1.00 0.00 C +ATOM 8811 O GLY 568 72.950 41.440 34.780 1.00 0.00 O +ATOM 8812 N GLU 569 71.980 43.410 34.260 1.00 0.00 N +ATOM 8813 HN GLU 569 71.520 43.940 33.550 1.00 0.00 H +ATOM 8814 CA GLU 569 71.640 43.760 35.640 1.00 0.00 C +ATOM 8815 HA GLU 569 72.468 43.580 36.308 1.00 0.00 H +ATOM 8816 CB GLU 569 71.340 45.250 35.650 1.00 0.00 C +ATOM 8817 HB1 GLU 569 70.740 45.430 34.732 1.00 0.00 H +ATOM 8818 HB2 GLU 569 70.840 45.640 36.562 1.00 0.00 H +ATOM 8819 CG GLU 569 72.610 46.090 35.530 1.00 0.00 C +ATOM 8820 HG1 GLU 569 73.358 45.672 36.238 1.00 0.00 H +ATOM 8821 HG2 GLU 569 72.958 45.842 34.504 1.00 0.00 H +ATOM 8822 CD GLU 569 72.490 47.580 35.610 1.00 0.00 C +ATOM 8823 OE1 GLU 569 73.090 48.350 34.770 1.00 0.00 O +ATOM 8824 OE2 GLU 569 71.830 48.140 36.570 1.00 0.00 O +ATOM 8825 C GLU 569 70.400 42.970 36.070 1.00 0.00 C +ATOM 8826 O GLU 569 69.610 42.590 35.250 1.00 0.00 O +ATOM 8827 N HIS 570 70.290 42.720 37.420 1.00 0.00 N +ATOM 8828 HN HIS 570 70.952 43.132 38.042 1.00 0.00 H +ATOM 8829 CA HIS 570 69.300 41.810 38.120 1.00 0.00 C +ATOM 8830 HA HIS 570 68.332 42.040 37.700 1.00 0.00 H +ATOM 8831 CB HIS 570 69.650 40.270 38.150 1.00 0.00 C +ATOM 8832 HB1 HIS 570 68.850 39.610 38.550 1.00 0.00 H +ATOM 8833 HB2 HIS 570 69.750 39.990 37.080 1.00 0.00 H +ATOM 8834 ND1 HIS 570 71.150 39.480 40.040 1.00 0.00 N +ATOM 8835 HD1 HIS 570 70.490 39.700 40.760 1.00 0.00 H +ATOM 8836 CG HIS 570 70.960 39.800 38.690 1.00 0.00 C +ATOM 8837 CE1 HIS 570 72.410 38.970 40.140 1.00 0.00 C +ATOM 8838 HE1 HIS 570 72.670 38.508 41.092 1.00 0.00 H +ATOM 8839 NE2 HIS 570 73.030 39.020 39.030 1.00 0.00 N +ATOM 8840 CD2 HIS 570 72.160 39.500 38.060 1.00 0.00 C +ATOM 8841 HD2 HIS 570 72.580 39.730 37.088 1.00 0.00 H +ATOM 8842 C HIS 570 69.310 42.180 39.620 1.00 0.00 C +ATOM 8843 O HIS 570 70.100 43.010 40.020 1.00 0.00 O +ATOM 8844 N LEU 571 68.310 41.720 40.330 1.00 0.00 N +ATOM 8845 HN LEU 571 67.602 41.204 39.854 1.00 0.00 H +ATOM 8846 CA LEU 571 68.140 41.950 41.760 1.00 0.00 C +ATOM 8847 HA LEU 571 68.090 42.998 42.020 1.00 0.00 H +ATOM 8848 CB LEU 571 66.740 41.460 42.310 1.00 0.00 C +ATOM 8849 HB1 LEU 571 66.750 40.370 42.100 1.00 0.00 H +ATOM 8850 HB2 LEU 571 66.600 41.560 43.406 1.00 0.00 H +ATOM 8851 CG LEU 571 65.470 42.010 41.620 1.00 0.00 C +ATOM 8852 HG LEU 571 65.380 41.672 40.566 1.00 0.00 H +ATOM 8853 CD1 LEU 571 64.250 41.360 42.340 1.00 0.00 C +ATOM 8854 1HD1 LEU 571 63.364 41.440 41.676 1.00 0.00 H +ATOM 8855 2HD1 LEU 571 64.410 40.290 42.590 1.00 0.00 H +ATOM 8856 3HD1 LEU 571 63.960 41.930 43.250 1.00 0.00 H +ATOM 8857 CD2 LEU 571 65.350 43.570 41.680 1.00 0.00 C +ATOM 8858 1HD2 LEU 571 65.220 43.780 42.762 1.00 0.00 H +ATOM 8859 2HD2 LEU 571 66.226 44.058 41.202 1.00 0.00 H +ATOM 8860 3HD2 LEU 571 64.400 43.790 41.150 1.00 0.00 H +ATOM 8861 C LEU 571 69.280 41.360 42.580 1.00 0.00 C +ATOM 8862 O LEU 571 69.780 40.260 42.400 1.00 0.00 O +ATOM 8863 N ASP 572 69.710 42.040 43.600 1.00 0.00 N +ATOM 8864 HN ASP 572 69.282 42.916 43.810 1.00 0.00 H +ATOM 8865 CA ASP 572 70.640 41.710 44.650 1.00 0.00 C +ATOM 8866 HA ASP 572 71.442 41.108 44.248 1.00 0.00 H +ATOM 8867 CB ASP 572 71.300 43.030 44.960 1.00 0.00 C +ATOM 8868 HB1 ASP 572 71.460 43.650 44.052 1.00 0.00 H +ATOM 8869 HB2 ASP 572 70.652 43.668 45.598 1.00 0.00 H +ATOM 8870 CG ASP 572 72.650 42.920 45.580 1.00 0.00 C +ATOM 8871 OD1 ASP 572 72.870 41.890 46.270 1.00 0.00 O +ATOM 8872 OD2 ASP 572 73.470 43.810 45.510 1.00 0.00 O +ATOM 8873 C ASP 572 69.950 41.150 45.850 1.00 0.00 C +ATOM 8874 O ASP 572 69.230 41.860 46.530 1.00 0.00 O +ATOM 8875 N GLU 573 70.170 39.910 46.120 1.00 0.00 N +ATOM 8876 HN GLU 573 70.760 39.440 45.470 1.00 0.00 H +ATOM 8877 CA GLU 573 69.470 39.230 47.230 1.00 0.00 C +ATOM 8878 HA GLU 573 68.412 39.340 47.040 1.00 0.00 H +ATOM 8879 CB GLU 573 69.800 37.710 47.340 1.00 0.00 C +ATOM 8880 HB1 GLU 573 69.680 37.390 46.282 1.00 0.00 H +ATOM 8881 HB2 GLU 573 70.844 37.630 47.712 1.00 0.00 H +ATOM 8882 CG GLU 573 68.810 36.890 48.210 1.00 0.00 C +ATOM 8883 HG1 GLU 573 68.740 37.228 49.266 1.00 0.00 H +ATOM 8884 HG2 GLU 573 67.874 36.930 47.616 1.00 0.00 H +ATOM 8885 CD GLU 573 69.090 35.380 48.210 1.00 0.00 C +ATOM 8886 OE1 GLU 573 68.870 34.740 49.290 1.00 0.00 O +ATOM 8887 OE2 GLU 573 69.400 34.770 47.180 1.00 0.00 O +ATOM 8888 C GLU 573 69.710 39.810 48.630 1.00 0.00 C +ATOM 8889 O GLU 573 68.760 39.960 49.380 1.00 0.00 O +ATOM 8890 N LYS 574 70.960 40.290 48.960 1.00 0.00 N +ATOM 8891 HN LYS 574 71.672 40.020 48.318 1.00 0.00 H +ATOM 8892 CA LYS 574 71.240 40.860 50.280 1.00 0.00 C +ATOM 8893 HA LYS 574 70.820 40.208 51.032 1.00 0.00 H +ATOM 8894 CB LYS 574 72.820 40.800 50.510 1.00 0.00 C +ATOM 8895 HB1 LYS 574 73.058 39.716 50.540 1.00 0.00 H +ATOM 8896 HB2 LYS 574 73.346 41.198 49.616 1.00 0.00 H +ATOM 8897 CG LYS 574 73.250 41.530 51.710 1.00 0.00 C +ATOM 8898 HG1 LYS 574 72.990 42.606 51.610 1.00 0.00 H +ATOM 8899 HG2 LYS 574 72.700 41.240 52.630 1.00 0.00 H +ATOM 8900 CD LYS 574 74.750 41.480 51.870 1.00 0.00 C +ATOM 8901 HD1 LYS 574 74.910 40.430 52.200 1.00 0.00 H +ATOM 8902 HD2 LYS 574 75.230 41.790 50.918 1.00 0.00 H +ATOM 8903 CE LYS 574 75.280 42.360 53.010 1.00 0.00 C +ATOM 8904 HE1 LYS 574 75.240 43.408 52.640 1.00 0.00 H +ATOM 8905 HE2 LYS 574 74.750 42.100 53.950 1.00 0.00 H +ATOM 8906 NZ LYS 574 76.660 42.050 53.190 1.00 0.00 N +ATOM 8907 HZ1 LYS 574 77.058 41.890 52.242 1.00 0.00 H +ATOM 8908 HZ2 LYS 574 77.138 42.868 53.618 1.00 0.00 H +ATOM 8909 HZ3 LYS 574 76.810 41.184 53.748 1.00 0.00 H +ATOM 8910 C LYS 574 70.550 42.230 50.470 1.00 0.00 C +ATOM 8911 O LYS 574 69.990 42.430 51.530 1.00 0.00 O +ATOM 8912 N LYS 575 70.610 43.100 49.450 1.00 0.00 N +ATOM 8913 HN LYS 575 71.254 42.898 48.716 1.00 0.00 H +ATOM 8914 CA LYS 575 69.910 44.340 49.510 1.00 0.00 C +ATOM 8915 HA LYS 575 70.050 44.708 50.516 1.00 0.00 H +ATOM 8916 CB LYS 575 70.350 45.290 48.350 1.00 0.00 C +ATOM 8917 HB1 LYS 575 70.040 44.850 47.378 1.00 0.00 H +ATOM 8918 HB2 LYS 575 69.834 46.274 48.320 1.00 0.00 H +ATOM 8919 CG LYS 575 71.920 45.620 48.410 1.00 0.00 C +ATOM 8920 HG1 LYS 575 72.170 46.018 49.416 1.00 0.00 H +ATOM 8921 HG2 LYS 575 72.452 44.646 48.350 1.00 0.00 H +ATOM 8922 CD LYS 575 72.360 46.620 47.260 1.00 0.00 C +ATOM 8923 HD1 LYS 575 72.060 46.510 46.196 1.00 0.00 H +ATOM 8924 HD2 LYS 575 71.860 47.552 47.600 1.00 0.00 H +ATOM 8925 CE LYS 575 73.790 46.960 47.350 1.00 0.00 C +ATOM 8926 HE1 LYS 575 73.980 47.748 46.592 1.00 0.00 H +ATOM 8927 HE2 LYS 575 74.098 47.298 48.364 1.00 0.00 H +ATOM 8928 NZ LYS 575 74.580 45.810 47.000 1.00 0.00 N +ATOM 8929 HZ1 LYS 575 74.008 45.168 46.418 1.00 0.00 H +ATOM 8930 HZ2 LYS 575 75.444 45.970 46.444 1.00 0.00 H +ATOM 8931 HZ3 LYS 575 74.920 45.370 47.880 1.00 0.00 H +ATOM 8932 C LYS 575 68.360 44.300 49.460 1.00 0.00 C +ATOM 8933 O LYS 575 67.610 45.030 50.160 1.00 0.00 O +ATOM 8934 N TYR 576 67.770 43.350 48.710 1.00 0.00 N +ATOM 8935 HN TYR 576 68.350 42.850 48.070 1.00 0.00 H +ATOM 8936 CA TYR 576 66.360 42.900 48.850 1.00 0.00 C +ATOM 8937 HA TYR 576 65.808 43.822 48.740 1.00 0.00 H +ATOM 8938 CB TYR 576 66.040 41.840 47.770 1.00 0.00 C +ATOM 8939 HB1 TYR 576 66.200 42.360 46.802 1.00 0.00 H +ATOM 8940 HB2 TYR 576 66.694 40.948 47.880 1.00 0.00 H +ATOM 8941 CG TYR 576 64.610 41.410 47.830 1.00 0.00 C +ATOM 8942 CD1 TYR 576 64.250 40.280 48.590 1.00 0.00 C +ATOM 8943 HD1 TYR 576 64.958 39.494 48.810 1.00 0.00 H +ATOM 8944 CE1 TYR 576 62.920 40.070 49.030 1.00 0.00 C +ATOM 8945 HE1 TYR 576 62.770 39.212 49.668 1.00 0.00 H +ATOM 8946 CZ TYR 576 61.920 40.900 48.570 1.00 0.00 C +ATOM 8947 OH TYR 576 60.530 40.720 48.840 1.00 0.00 O +ATOM 8948 HH TYR 576 60.420 39.958 49.412 1.00 0.00 H +ATOM 8949 CD2 TYR 576 63.680 42.280 47.470 1.00 0.00 C +ATOM 8950 HD2 TYR 576 64.040 43.172 46.980 1.00 0.00 H +ATOM 8951 CE2 TYR 576 62.330 42.020 47.800 1.00 0.00 C +ATOM 8952 HE2 TYR 576 61.572 42.678 47.402 1.00 0.00 H +ATOM 8953 C TYR 576 66.030 42.420 50.240 1.00 0.00 C +ATOM 8954 O TYR 576 65.030 42.930 50.840 1.00 0.00 O +ATOM 8955 N ASP 577 66.860 41.630 50.910 1.00 0.00 N +ATOM 8956 HN ASP 577 67.564 41.178 50.368 1.00 0.00 H +ATOM 8957 CA ASP 577 66.690 41.040 52.250 1.00 0.00 C +ATOM 8958 HA ASP 577 65.702 40.610 52.180 1.00 0.00 H +ATOM 8959 CB ASP 577 67.740 39.920 52.410 1.00 0.00 C +ATOM 8960 HB1 ASP 577 67.600 39.092 51.682 1.00 0.00 H +ATOM 8961 HB2 ASP 577 68.776 40.318 52.390 1.00 0.00 H +ATOM 8962 CG ASP 577 67.570 39.030 53.620 1.00 0.00 C +ATOM 8963 OD1 ASP 577 66.420 38.640 53.870 1.00 0.00 O +ATOM 8964 OD2 ASP 577 68.660 38.710 54.220 1.00 0.00 O +ATOM 8965 C ASP 577 66.620 42.200 53.270 1.00 0.00 C +ATOM 8966 O ASP 577 65.780 42.210 54.170 1.00 0.00 O +ATOM 8967 N GLU 578 67.540 43.160 53.130 1.00 0.00 N +ATOM 8968 HN GLU 578 68.328 43.000 52.542 1.00 0.00 H +ATOM 8969 CA GLU 578 67.480 44.410 53.910 1.00 0.00 C +ATOM 8970 HA GLU 578 67.390 44.170 54.960 1.00 0.00 H +ATOM 8971 CB GLU 578 68.760 45.220 53.700 1.00 0.00 C +ATOM 8972 HB1 GLU 578 68.930 45.290 52.604 1.00 0.00 H +ATOM 8973 HB2 GLU 578 68.730 46.252 54.110 1.00 0.00 H +ATOM 8974 CG GLU 578 69.980 44.510 54.400 1.00 0.00 C +ATOM 8975 HG1 GLU 578 69.800 44.520 55.496 1.00 0.00 H +ATOM 8976 HG2 GLU 578 70.100 43.418 54.230 1.00 0.00 H +ATOM 8977 CD GLU 578 71.270 45.260 54.090 1.00 0.00 C +ATOM 8978 OE1 GLU 578 72.330 44.840 54.700 1.00 0.00 O +ATOM 8979 OE2 GLU 578 71.320 46.220 53.240 1.00 0.00 O +ATOM 8980 C GLU 578 66.190 45.240 53.720 1.00 0.00 C +ATOM 8981 O GLU 578 65.700 45.780 54.700 1.00 0.00 O +ATOM 8982 N LEU 579 65.740 45.340 52.400 1.00 0.00 N +ATOM 8983 HN LEU 579 66.372 45.048 51.688 1.00 0.00 H +ATOM 8984 CA LEU 579 64.470 45.980 52.080 1.00 0.00 C +ATOM 8985 HA LEU 579 64.400 46.930 52.590 1.00 0.00 H +ATOM 8986 CB LEU 579 64.500 46.410 50.500 1.00 0.00 C +ATOM 8987 HB1 LEU 579 65.342 47.072 50.210 1.00 0.00 H +ATOM 8988 HB2 LEU 579 64.790 45.490 49.950 1.00 0.00 H +ATOM 8989 CG LEU 579 63.150 47.030 49.960 1.00 0.00 C +ATOM 8990 HG LEU 579 62.316 46.518 50.482 1.00 0.00 H +ATOM 8991 CD1 LEU 579 63.080 48.550 50.300 1.00 0.00 C +ATOM 8992 1HD1 LEU 579 62.148 49.090 50.030 1.00 0.00 H +ATOM 8993 2HD1 LEU 579 63.230 48.550 51.400 1.00 0.00 H +ATOM 8994 3HD1 LEU 579 63.914 49.126 49.844 1.00 0.00 H +ATOM 8995 CD2 LEU 579 63.060 46.800 48.440 1.00 0.00 C +ATOM 8996 1HD2 LEU 579 63.330 45.730 48.320 1.00 0.00 H +ATOM 8997 2HD2 LEU 579 62.006 46.930 48.118 1.00 0.00 H +ATOM 8998 3HD2 LEU 579 63.840 47.370 47.890 1.00 0.00 H +ATOM 8999 C LEU 579 63.230 45.210 52.620 1.00 0.00 C +ATOM 9000 O LEU 579 62.400 45.740 53.370 1.00 0.00 O +ATOM 9001 N LEU 580 63.190 43.890 52.450 1.00 0.00 N +ATOM 9002 HN LEU 580 63.884 43.598 51.796 1.00 0.00 H +ATOM 9003 CA LEU 580 62.360 43.010 53.220 1.00 0.00 C +ATOM 9004 HA LEU 580 61.378 43.320 52.900 1.00 0.00 H +ATOM 9005 CB LEU 580 62.630 41.550 52.700 1.00 0.00 C +ATOM 9006 HB1 LEU 580 62.610 41.650 51.594 1.00 0.00 H +ATOM 9007 HB2 LEU 580 63.628 41.220 53.060 1.00 0.00 H +ATOM 9008 CG LEU 580 61.570 40.530 53.210 1.00 0.00 C +ATOM 9009 HG LEU 580 61.690 40.500 54.314 1.00 0.00 H +ATOM 9010 CD1 LEU 580 60.140 40.820 52.850 1.00 0.00 C +ATOM 9011 1HD1 LEU 580 60.000 41.120 51.790 1.00 0.00 H +ATOM 9012 2HD1 LEU 580 59.428 39.978 52.990 1.00 0.00 H +ATOM 9013 3HD1 LEU 580 59.644 41.584 53.486 1.00 0.00 H +ATOM 9014 CD2 LEU 580 61.990 39.120 52.770 1.00 0.00 C +ATOM 9015 1HD2 LEU 580 62.150 39.100 51.670 1.00 0.00 H +ATOM 9016 2HD2 LEU 580 62.940 38.790 53.240 1.00 0.00 H +ATOM 9017 3HD2 LEU 580 61.152 38.492 53.140 1.00 0.00 H +ATOM 9018 C LEU 580 62.380 43.140 54.710 1.00 0.00 C +ATOM 9019 O LEU 580 61.330 43.220 55.320 1.00 0.00 O +ATOM 9020 N SER 581 63.510 43.290 55.400 1.00 0.00 N +ATOM 9021 HN SER 581 64.350 43.070 54.910 1.00 0.00 H +ATOM 9022 CA SER 581 63.650 43.620 56.850 1.00 0.00 C +ATOM 9023 HA SER 581 63.142 42.862 57.428 1.00 0.00 H +ATOM 9024 CB SER 581 65.100 43.540 57.540 1.00 0.00 C +ATOM 9025 HB1 SER 581 65.746 44.246 56.976 1.00 0.00 H +ATOM 9026 HB2 SER 581 65.050 43.812 58.616 1.00 0.00 H +ATOM 9027 OG SER 581 65.680 42.210 57.560 1.00 0.00 O +ATOM 9028 HG1 SER 581 65.328 41.768 58.336 1.00 0.00 H +ATOM 9029 C SER 581 62.970 44.930 57.260 1.00 0.00 C +ATOM 9030 O SER 581 62.440 45.020 58.400 1.00 0.00 O +ATOM 9031 N GLU 582 63.170 46.040 56.510 1.00 0.00 N +ATOM 9032 HN GLU 582 63.638 45.980 55.632 1.00 0.00 H +ATOM 9033 CA GLU 582 62.610 47.360 56.770 1.00 0.00 C +ATOM 9034 HA GLU 582 62.860 47.680 57.770 1.00 0.00 H +ATOM 9035 CB GLU 582 63.160 48.380 55.700 1.00 0.00 C +ATOM 9036 HB1 GLU 582 64.248 48.470 55.910 1.00 0.00 H +ATOM 9037 HB2 GLU 582 62.960 48.010 54.672 1.00 0.00 H +ATOM 9038 CG GLU 582 62.490 49.800 55.770 1.00 0.00 C +ATOM 9039 HG1 GLU 582 62.828 50.348 54.864 1.00 0.00 H +ATOM 9040 HG2 GLU 582 61.380 49.800 55.760 1.00 0.00 H +ATOM 9041 CD GLU 582 62.810 50.650 57.000 1.00 0.00 C +ATOM 9042 OE1 GLU 582 62.280 51.790 57.150 1.00 0.00 O +ATOM 9043 OE2 GLU 582 63.670 50.240 57.820 1.00 0.00 O +ATOM 9044 C GLU 582 61.060 47.320 56.620 1.00 0.00 C +ATOM 9045 O GLU 582 60.320 47.900 57.440 1.00 0.00 O +ATOM 9046 N TYR 583 60.550 46.550 55.690 1.00 0.00 N +ATOM 9047 HN TYR 583 61.190 46.120 55.060 1.00 0.00 H +ATOM 9048 CA TYR 583 59.120 46.280 55.450 1.00 0.00 C +ATOM 9049 HA TYR 583 58.620 47.230 55.340 1.00 0.00 H +ATOM 9050 CB TYR 583 59.000 45.440 54.140 1.00 0.00 C +ATOM 9051 HB1 TYR 583 59.220 46.132 53.298 1.00 0.00 H +ATOM 9052 HB2 TYR 583 59.650 44.540 54.100 1.00 0.00 H +ATOM 9053 CG TYR 583 57.540 45.000 53.980 1.00 0.00 C +ATOM 9054 CD1 TYR 583 57.140 43.850 54.560 1.00 0.00 C +ATOM 9055 HD1 TYR 583 57.884 43.296 55.114 1.00 0.00 H +ATOM 9056 CE1 TYR 583 55.820 43.360 54.470 1.00 0.00 C +ATOM 9057 HE1 TYR 583 55.510 42.420 54.900 1.00 0.00 H +ATOM 9058 CZ TYR 583 54.890 44.030 53.750 1.00 0.00 C +ATOM 9059 OH TYR 583 53.610 43.510 53.520 1.00 0.00 O +ATOM 9060 HH TYR 583 53.190 43.990 52.802 1.00 0.00 H +ATOM 9061 CD2 TYR 583 56.640 45.740 53.240 1.00 0.00 C +ATOM 9062 HD2 TYR 583 56.898 46.574 52.604 1.00 0.00 H +ATOM 9063 CE2 TYR 583 55.320 45.230 53.160 1.00 0.00 C +ATOM 9064 HE2 TYR 583 54.534 45.728 52.612 1.00 0.00 H +ATOM 9065 C TYR 583 58.530 45.600 56.620 1.00 0.00 C +ATOM 9066 O TYR 583 57.430 46.010 57.110 1.00 0.00 O +ATOM 9067 N TYR 584 59.240 44.570 57.200 1.00 0.00 N +ATOM 9068 HN TYR 584 60.044 44.152 56.782 1.00 0.00 H +ATOM 9069 CA TYR 584 58.830 43.990 58.460 1.00 0.00 C +ATOM 9070 HA TYR 584 57.780 43.760 58.360 1.00 0.00 H +ATOM 9071 CB TYR 584 59.660 42.780 58.730 1.00 0.00 C +ATOM 9072 HB1 TYR 584 60.710 43.090 58.540 1.00 0.00 H +ATOM 9073 HB2 TYR 584 59.590 42.500 59.802 1.00 0.00 H +ATOM 9074 CG TYR 584 59.390 41.660 57.740 1.00 0.00 C +ATOM 9075 CD1 TYR 584 58.150 41.480 56.990 1.00 0.00 C +ATOM 9076 HD1 TYR 584 57.330 42.180 57.070 1.00 0.00 H +ATOM 9077 CE1 TYR 584 57.960 40.390 56.140 1.00 0.00 C +ATOM 9078 HE1 TYR 584 57.068 40.210 55.558 1.00 0.00 H +ATOM 9079 CZ TYR 584 59.050 39.520 55.980 1.00 0.00 C +ATOM 9080 OH TYR 584 58.960 38.500 55.040 1.00 0.00 O +ATOM 9081 HH TYR 584 58.122 38.640 54.592 1.00 0.00 H +ATOM 9082 CD2 TYR 584 60.330 40.660 57.670 1.00 0.00 C +ATOM 9083 HD2 TYR 584 61.220 40.720 58.280 1.00 0.00 H +ATOM 9084 CE2 TYR 584 60.210 39.590 56.740 1.00 0.00 C +ATOM 9085 HE2 TYR 584 61.050 38.930 56.580 1.00 0.00 H +ATOM 9086 C TYR 584 58.810 44.950 59.630 1.00 0.00 C +ATOM 9087 O TYR 584 57.780 45.010 60.350 1.00 0.00 O +ATOM 9088 N ARG 585 59.760 45.870 59.760 1.00 0.00 N +ATOM 9089 HN ARG 585 60.564 45.790 59.174 1.00 0.00 H +ATOM 9090 CA ARG 585 59.720 46.910 60.750 1.00 0.00 C +ATOM 9091 HA ARG 585 59.760 46.460 61.730 1.00 0.00 H +ATOM 9092 CB ARG 585 61.000 47.780 60.570 1.00 0.00 C +ATOM 9093 HB1 ARG 585 61.940 47.220 60.370 1.00 0.00 H +ATOM 9094 HB2 ARG 585 60.880 48.402 59.658 1.00 0.00 H +ATOM 9095 CG ARG 585 61.400 48.760 61.700 1.00 0.00 C +ATOM 9096 HG1 ARG 585 60.554 49.348 62.118 1.00 0.00 H +ATOM 9097 HG2 ARG 585 61.880 48.130 62.480 1.00 0.00 H +ATOM 9098 CD ARG 585 62.540 49.740 61.360 1.00 0.00 C +ATOM 9099 HD1 ARG 585 62.830 50.278 62.288 1.00 0.00 H +ATOM 9100 HD2 ARG 585 63.340 49.130 60.890 1.00 0.00 H +ATOM 9101 NE ARG 585 62.050 50.680 60.300 1.00 0.00 N +ATOM 9102 HE ARG 585 62.580 50.680 59.452 1.00 0.00 H +ATOM 9103 CZ ARG 585 61.140 51.580 60.410 1.00 0.00 C +ATOM 9104 NH1 ARG 585 60.600 52.010 61.550 1.00 0.00 N +ATOM 9105 1HH1 ARG 585 60.918 51.702 62.446 1.00 0.00 H +ATOM 9106 2HH1 ARG 585 59.706 52.452 61.470 1.00 0.00 H +ATOM 9107 NH2 ARG 585 60.770 52.220 59.360 1.00 0.00 N +ATOM 9108 1HH2 ARG 585 61.320 52.130 58.530 1.00 0.00 H +ATOM 9109 2HH2 ARG 585 60.154 52.986 59.548 1.00 0.00 H +ATOM 9110 C ARG 585 58.550 47.910 60.640 1.00 0.00 C +ATOM 9111 O ARG 585 57.920 48.300 61.670 1.00 0.00 O +ATOM 9112 N ILE 586 58.320 48.330 59.410 1.00 0.00 N +ATOM 9113 HN ILE 586 58.702 47.818 58.646 1.00 0.00 H +ATOM 9114 CA ILE 586 57.200 49.250 59.050 1.00 0.00 C +ATOM 9115 HA ILE 586 57.410 50.100 59.680 1.00 0.00 H +ATOM 9116 CB ILE 586 57.160 49.630 57.580 1.00 0.00 C +ATOM 9117 HB ILE 586 57.390 48.676 57.058 1.00 0.00 H +ATOM 9118 CG2 ILE 586 55.800 50.240 57.100 1.00 0.00 C +ATOM 9119 1HG2 ILE 586 54.990 49.480 57.150 1.00 0.00 H +ATOM 9120 2HG2 ILE 586 55.550 51.082 57.782 1.00 0.00 H +ATOM 9121 3HG2 ILE 586 55.950 50.582 56.054 1.00 0.00 H +ATOM 9122 CG1 ILE 586 58.330 50.600 57.370 1.00 0.00 C +ATOM 9123 1HG1 ILE 586 58.100 51.598 57.800 1.00 0.00 H +ATOM 9124 2HG1 ILE 586 59.290 50.280 57.830 1.00 0.00 H +ATOM 9125 CD ILE 586 58.700 50.600 55.940 1.00 0.00 C +ATOM 9126 HD1 ILE 586 59.130 49.638 55.590 1.00 0.00 H +ATOM 9127 HD2 ILE 586 57.890 50.560 55.180 1.00 0.00 H +ATOM 9128 HD3 ILE 586 59.496 51.356 55.770 1.00 0.00 H +ATOM 9129 C ILE 586 55.820 48.720 59.470 1.00 0.00 C +ATOM 9130 O ILE 586 55.040 49.450 60.140 1.00 0.00 O +ATOM 9131 N ARG 587 55.530 47.450 59.240 1.00 0.00 N +ATOM 9132 HN ARG 587 56.272 46.918 58.838 1.00 0.00 H +ATOM 9133 CA ARG 587 54.330 46.740 59.570 1.00 0.00 C +ATOM 9134 HA ARG 587 53.450 47.320 59.330 1.00 0.00 H +ATOM 9135 CB ARG 587 54.350 45.500 58.570 1.00 0.00 C +ATOM 9136 HB1 ARG 587 55.392 45.118 58.530 1.00 0.00 H +ATOM 9137 HB2 ARG 587 53.736 44.684 59.004 1.00 0.00 H +ATOM 9138 CG ARG 587 53.860 45.910 57.190 1.00 0.00 C +ATOM 9139 HG1 ARG 587 53.400 46.920 57.240 1.00 0.00 H +ATOM 9140 HG2 ARG 587 54.674 45.870 56.436 1.00 0.00 H +ATOM 9141 CD ARG 587 52.820 44.840 56.750 1.00 0.00 C +ATOM 9142 HD1 ARG 587 53.422 43.938 56.510 1.00 0.00 H +ATOM 9143 HD2 ARG 587 52.078 44.548 57.522 1.00 0.00 H +ATOM 9144 NE ARG 587 52.150 45.380 55.500 1.00 0.00 N +ATOM 9145 HE ARG 587 52.600 45.140 54.640 1.00 0.00 H +ATOM 9146 CZ ARG 587 51.190 46.300 55.530 1.00 0.00 C +ATOM 9147 NH1 ARG 587 50.650 46.730 56.630 1.00 0.00 N +ATOM 9148 1HH1 ARG 587 50.922 46.620 57.586 1.00 0.00 H +ATOM 9149 2HH1 ARG 587 49.986 47.474 56.550 1.00 0.00 H +ATOM 9150 NH2 ARG 587 50.760 46.700 54.360 1.00 0.00 N +ATOM 9151 1HH2 ARG 587 51.052 46.268 53.506 1.00 0.00 H +ATOM 9152 2HH2 ARG 587 50.052 47.408 54.380 1.00 0.00 H +ATOM 9153 C ARG 587 54.140 46.210 60.960 1.00 0.00 C +ATOM 9154 O ARG 587 53.080 45.770 61.260 1.00 0.00 O +ATOM 9155 N GLY 588 55.230 46.210 61.770 1.00 0.00 N +ATOM 9156 HN GLY 588 56.166 46.462 61.538 1.00 0.00 H +ATOM 9157 CA GLY 588 55.168 45.680 63.120 1.00 0.00 C +ATOM 9158 HA1 GLY 588 56.076 45.922 63.654 1.00 0.00 H +ATOM 9159 HA2 GLY 588 54.286 45.938 63.686 1.00 0.00 H +ATOM 9160 C GLY 588 55.200 44.170 63.100 1.00 0.00 C +ATOM 9161 O GLY 588 54.540 43.490 63.900 1.00 0.00 O +ATOM 9162 N TRP 589 55.970 43.580 62.160 1.00 0.00 N +ATOM 9163 HN TRP 589 56.420 44.090 61.430 1.00 0.00 H +ATOM 9164 CA TRP 589 56.120 42.170 61.980 1.00 0.00 C +ATOM 9165 HA TRP 589 55.540 41.640 62.720 1.00 0.00 H +ATOM 9166 CB TRP 589 55.660 41.710 60.560 1.00 0.00 C +ATOM 9167 HB1 TRP 589 56.310 42.100 59.748 1.00 0.00 H +ATOM 9168 HB2 TRP 589 55.770 40.606 60.490 1.00 0.00 H +ATOM 9169 CG TRP 589 54.200 41.950 60.180 1.00 0.00 C +ATOM 9170 CD1 TRP 589 53.120 42.310 60.990 1.00 0.00 C +ATOM 9171 HD1 TRP 589 53.200 42.680 62.002 1.00 0.00 H +ATOM 9172 NE1 TRP 589 52.000 42.420 60.130 1.00 0.00 N +ATOM 9173 HE1 TRP 589 51.064 42.600 60.342 1.00 0.00 H +ATOM 9174 CE2 TRP 589 52.330 42.040 58.830 1.00 0.00 C +ATOM 9175 CD2 TRP 589 53.680 41.730 58.860 1.00 0.00 C +ATOM 9176 CE3 TRP 589 54.240 41.120 57.700 1.00 0.00 C +ATOM 9177 HE3 TRP 589 55.282 40.950 57.470 1.00 0.00 H +ATOM 9178 CZ3 TRP 589 53.410 40.800 56.610 1.00 0.00 C +ATOM 9179 HZ3 TRP 589 53.938 40.382 55.764 1.00 0.00 H +ATOM 9180 CZ2 TRP 589 51.490 41.680 57.780 1.00 0.00 C +ATOM 9181 HZ2 TRP 589 50.430 41.880 57.850 1.00 0.00 H +ATOM 9182 CH2 TRP 589 52.020 41.000 56.630 1.00 0.00 C +ATOM 9183 HH2 TRP 589 51.440 40.810 55.740 1.00 0.00 H +ATOM 9184 C TRP 589 57.550 41.730 62.210 1.00 0.00 C +ATOM 9185 O TRP 589 58.480 42.500 62.060 1.00 0.00 O +ATOM 9186 N ASP 590 57.780 40.430 62.470 1.00 0.00 N +ATOM 9187 HN ASP 590 57.060 39.750 62.580 1.00 0.00 H +ATOM 9188 CA ASP 590 59.070 40.070 62.910 1.00 0.00 C +ATOM 9189 HA ASP 590 59.488 40.858 63.518 1.00 0.00 H +ATOM 9190 CB ASP 590 58.800 38.920 63.970 1.00 0.00 C +ATOM 9191 HB1 ASP 590 59.644 38.662 64.646 1.00 0.00 H +ATOM 9192 HB2 ASP 590 58.008 39.180 64.702 1.00 0.00 H +ATOM 9193 CG ASP 590 58.500 37.590 63.390 1.00 0.00 C +ATOM 9194 OD1 ASP 590 58.260 37.530 62.140 1.00 0.00 O +ATOM 9195 OD2 ASP 590 58.280 36.640 64.200 1.00 0.00 O +ATOM 9196 C ASP 590 59.950 39.640 61.660 1.00 0.00 C +ATOM 9197 O ASP 590 59.600 40.070 60.540 1.00 0.00 O +ATOM 9198 N GLU 591 61.110 39.020 61.910 1.00 0.00 N +ATOM 9199 HN GLU 591 61.460 38.850 62.828 1.00 0.00 H +ATOM 9200 CA GLU 591 62.020 38.710 60.830 1.00 0.00 C +ATOM 9201 HA GLU 591 61.940 39.430 60.030 1.00 0.00 H +ATOM 9202 CB GLU 591 63.570 38.750 61.330 1.00 0.00 C +ATOM 9203 HB1 GLU 591 63.870 37.960 62.050 1.00 0.00 H +ATOM 9204 HB2 GLU 591 64.170 38.460 60.440 1.00 0.00 H +ATOM 9205 CG GLU 591 64.100 40.080 61.930 1.00 0.00 C +ATOM 9206 HG1 GLU 591 63.362 40.598 62.578 1.00 0.00 H +ATOM 9207 HG2 GLU 591 65.082 39.910 62.420 1.00 0.00 H +ATOM 9208 CD GLU 591 64.460 41.090 60.790 1.00 0.00 C +ATOM 9209 OE1 GLU 591 64.960 42.210 61.120 1.00 0.00 O +ATOM 9210 OE2 GLU 591 64.160 40.760 59.600 1.00 0.00 O +ATOM 9211 C GLU 591 61.780 37.340 60.140 1.00 0.00 C +ATOM 9212 O GLU 591 62.550 36.900 59.340 1.00 0.00 O +ATOM 9213 N ARG 592 60.540 36.780 60.500 1.00 0.00 N +ATOM 9214 HN ARG 592 60.028 37.170 61.262 1.00 0.00 H +ATOM 9215 CA ARG 592 59.820 35.780 59.850 1.00 0.00 C +ATOM 9216 HA ARG 592 60.416 35.304 59.086 1.00 0.00 H +ATOM 9217 CB ARG 592 59.300 34.640 60.700 1.00 0.00 C +ATOM 9218 HB1 ARG 592 58.632 35.178 61.408 1.00 0.00 H +ATOM 9219 HB2 ARG 592 58.642 33.924 60.162 1.00 0.00 H +ATOM 9220 CG ARG 592 60.450 33.770 61.440 1.00 0.00 C +ATOM 9221 HG1 ARG 592 60.960 33.130 60.690 1.00 0.00 H +ATOM 9222 HG2 ARG 592 61.190 34.470 61.880 1.00 0.00 H +ATOM 9223 CD ARG 592 60.070 32.810 62.590 1.00 0.00 C +ATOM 9224 HD1 ARG 592 59.510 31.968 62.130 1.00 0.00 H +ATOM 9225 HD2 ARG 592 61.084 32.580 62.982 1.00 0.00 H +ATOM 9226 NE ARG 592 59.200 33.600 63.470 1.00 0.00 N +ATOM 9227 HE ARG 592 59.120 34.554 63.182 1.00 0.00 H +ATOM 9228 CZ ARG 592 58.400 33.130 64.470 1.00 0.00 C +ATOM 9229 NH1 ARG 592 58.380 31.810 64.670 1.00 0.00 N +ATOM 9230 1HH1 ARG 592 58.712 31.246 63.914 1.00 0.00 H +ATOM 9231 2HH1 ARG 592 57.562 31.450 65.120 1.00 0.00 H +ATOM 9232 NH2 ARG 592 57.710 34.080 65.040 1.00 0.00 N +ATOM 9233 1HH2 ARG 592 57.880 35.026 64.762 1.00 0.00 H +ATOM 9234 2HH2 ARG 592 57.150 33.860 65.840 1.00 0.00 H +ATOM 9235 C ARG 592 58.680 36.320 59.010 1.00 0.00 C +ATOM 9236 O ARG 592 58.250 35.850 57.970 1.00 0.00 O +ATOM 9237 N GLY 593 58.100 37.500 59.490 1.00 0.00 N +ATOM 9238 HN GLY 593 58.382 37.862 60.374 1.00 0.00 H +ATOM 9239 CA GLY 593 57.020 38.120 58.700 1.00 0.00 C +ATOM 9240 HA1 GLY 593 57.170 39.184 58.820 1.00 0.00 H +ATOM 9241 HA2 GLY 593 57.050 37.770 57.680 1.00 0.00 H +ATOM 9242 C GLY 593 55.710 37.830 59.340 1.00 0.00 C +ATOM 9243 O GLY 593 54.620 37.900 58.730 1.00 0.00 O +ATOM 9244 N ILE 594 55.760 37.620 60.670 1.00 0.00 N +ATOM 9245 HN ILE 594 56.610 37.620 61.190 1.00 0.00 H +ATOM 9246 CA ILE 594 54.600 37.220 61.460 1.00 0.00 C +ATOM 9247 HA ILE 594 53.760 37.020 60.810 1.00 0.00 H +ATOM 9248 CB ILE 594 54.940 35.930 62.290 1.00 0.00 C +ATOM 9249 HB ILE 594 55.664 36.110 63.114 1.00 0.00 H +ATOM 9250 CG2 ILE 594 53.750 35.490 63.170 1.00 0.00 C +ATOM 9251 1HG2 ILE 594 53.470 36.182 63.992 1.00 0.00 H +ATOM 9252 2HG2 ILE 594 52.862 35.390 62.510 1.00 0.00 H +ATOM 9253 3HG2 ILE 594 53.930 34.470 63.570 1.00 0.00 H +ATOM 9254 CG1 ILE 594 55.430 34.760 61.420 1.00 0.00 C +ATOM 9255 1HG1 ILE 594 54.692 34.620 60.602 1.00 0.00 H +ATOM 9256 2HG1 ILE 594 56.388 35.138 61.002 1.00 0.00 H +ATOM 9257 CD ILE 594 55.600 33.380 62.050 1.00 0.00 C +ATOM 9258 HD1 ILE 594 54.622 32.852 62.080 1.00 0.00 H +ATOM 9259 HD2 ILE 594 56.374 32.788 61.518 1.00 0.00 H +ATOM 9260 HD3 ILE 594 55.908 33.480 63.114 1.00 0.00 H +ATOM 9261 C ILE 594 54.290 38.370 62.340 1.00 0.00 C +ATOM 9262 O ILE 594 55.240 38.840 62.990 1.00 0.00 O +ATOM 9263 N PRO 595 53.010 38.850 62.520 1.00 0.00 N +ATOM 9264 CD PRO 595 51.870 38.280 61.830 1.00 0.00 C +ATOM 9265 HD1 PRO 595 51.580 37.368 62.392 1.00 0.00 H +ATOM 9266 HD2 PRO 595 52.040 38.190 60.736 1.00 0.00 H +ATOM 9267 CA PRO 595 52.590 39.840 63.520 1.00 0.00 C +ATOM 9268 HA PRO 595 53.066 40.712 63.094 1.00 0.00 H +ATOM 9269 CB PRO 595 51.040 39.910 63.460 1.00 0.00 C +ATOM 9270 HB1 PRO 595 50.620 39.278 64.272 1.00 0.00 H +ATOM 9271 HB2 PRO 595 50.772 40.964 63.688 1.00 0.00 H +ATOM 9272 CG PRO 595 50.740 39.300 62.060 1.00 0.00 C +ATOM 9273 HG1 PRO 595 49.688 38.960 61.950 1.00 0.00 H +ATOM 9274 HG2 PRO 595 51.010 40.072 61.308 1.00 0.00 H +ATOM 9275 C PRO 595 53.080 39.600 64.950 1.00 0.00 C +ATOM 9276 O PRO 595 52.910 38.490 65.490 1.00 0.00 O +ATOM 9277 N LYS 596 53.690 40.640 65.530 1.00 0.00 N +ATOM 9278 HN LYS 596 53.800 41.512 65.060 1.00 0.00 H +ATOM 9279 CA LYS 596 54.060 40.770 66.940 1.00 0.00 C +ATOM 9280 HA LYS 596 54.422 39.806 67.262 1.00 0.00 H +ATOM 9281 CB LYS 596 55.170 41.900 67.120 1.00 0.00 C +ATOM 9282 HB1 LYS 596 54.708 42.854 66.788 1.00 0.00 H +ATOM 9283 HB2 LYS 596 55.320 41.940 68.220 1.00 0.00 H +ATOM 9284 CG LYS 596 56.390 41.610 66.300 1.00 0.00 C +ATOM 9285 HG1 LYS 596 56.682 40.546 66.170 1.00 0.00 H +ATOM 9286 HG2 LYS 596 56.200 41.890 65.242 1.00 0.00 H +ATOM 9287 CD LYS 596 57.650 42.410 66.710 1.00 0.00 C +ATOM 9288 HD1 LYS 596 57.360 43.482 66.740 1.00 0.00 H +ATOM 9289 HD2 LYS 596 57.890 42.110 67.752 1.00 0.00 H +ATOM 9290 CE LYS 596 58.920 42.190 65.810 1.00 0.00 C +ATOM 9291 HE1 LYS 596 59.040 41.094 65.680 1.00 0.00 H +ATOM 9292 HE2 LYS 596 58.950 42.776 64.866 1.00 0.00 H +ATOM 9293 NZ LYS 596 60.210 42.660 66.450 1.00 0.00 N +ATOM 9294 HZ1 LYS 596 59.970 43.532 66.962 1.00 0.00 H +ATOM 9295 HZ2 LYS 596 60.666 41.964 67.076 1.00 0.00 H +ATOM 9296 HZ3 LYS 596 60.944 42.800 65.726 1.00 0.00 H +ATOM 9297 C LYS 596 52.830 41.060 67.770 1.00 0.00 C +ATOM 9298 O LYS 596 51.860 41.590 67.240 1.00 0.00 O +ATOM 9299 N LYS 597 52.830 40.520 69.030 1.00 0.00 N +ATOM 9300 HN LYS 597 53.636 40.022 69.338 1.00 0.00 H +ATOM 9301 CA LYS 597 51.620 40.550 69.870 1.00 0.00 C +ATOM 9302 HA LYS 597 50.848 39.928 69.440 1.00 0.00 H +ATOM 9303 CB LYS 597 51.860 39.930 71.230 1.00 0.00 C +ATOM 9304 HB1 LYS 597 52.630 40.530 71.760 1.00 0.00 H +ATOM 9305 HB2 LYS 597 51.002 39.930 71.938 1.00 0.00 H +ATOM 9306 CG LYS 597 52.330 38.460 71.210 1.00 0.00 C +ATOM 9307 HG1 LYS 597 51.670 37.790 70.620 1.00 0.00 H +ATOM 9308 HG2 LYS 597 53.258 38.400 70.602 1.00 0.00 H +ATOM 9309 CD LYS 597 52.540 37.910 72.610 1.00 0.00 C +ATOM 9310 HD1 LYS 597 53.482 38.452 72.840 1.00 0.00 H +ATOM 9311 HD2 LYS 597 51.668 38.258 73.206 1.00 0.00 H +ATOM 9312 CE LYS 597 52.770 36.390 72.760 1.00 0.00 C +ATOM 9313 HE1 LYS 597 52.042 35.812 72.152 1.00 0.00 H +ATOM 9314 HE2 LYS 597 53.784 36.172 72.362 1.00 0.00 H +ATOM 9315 NZ LYS 597 52.660 36.040 74.150 1.00 0.00 N +ATOM 9316 HZ1 LYS 597 53.456 36.328 74.756 1.00 0.00 H +ATOM 9317 HZ2 LYS 597 51.714 36.330 74.468 1.00 0.00 H +ATOM 9318 HZ3 LYS 597 52.660 35.004 74.230 1.00 0.00 H +ATOM 9319 C LYS 597 51.160 41.970 70.160 1.00 0.00 C +ATOM 9320 O LYS 597 49.980 42.320 70.220 1.00 0.00 O +ATOM 9321 N GLU 598 52.060 42.880 70.400 1.00 0.00 N +ATOM 9322 HN GLU 598 53.042 42.750 70.280 1.00 0.00 H +ATOM 9323 CA GLU 598 51.750 44.280 70.630 1.00 0.00 C +ATOM 9324 HA GLU 598 51.012 44.470 71.396 1.00 0.00 H +ATOM 9325 CB GLU 598 52.950 45.020 71.100 1.00 0.00 C +ATOM 9326 HB1 GLU 598 53.300 44.440 71.980 1.00 0.00 H +ATOM 9327 HB2 GLU 598 53.778 44.960 70.362 1.00 0.00 H +ATOM 9328 CG GLU 598 52.790 46.530 71.350 1.00 0.00 C +ATOM 9329 HG1 GLU 598 53.690 47.030 70.930 1.00 0.00 H +ATOM 9330 HG2 GLU 598 51.938 46.982 70.798 1.00 0.00 H +ATOM 9331 CD GLU 598 52.590 47.010 72.790 1.00 0.00 C +ATOM 9332 OE1 GLU 598 51.590 47.750 73.060 1.00 0.00 O +ATOM 9333 OE2 GLU 598 53.390 46.750 73.720 1.00 0.00 O +ATOM 9334 C GLU 598 51.190 44.930 69.390 1.00 0.00 C +ATOM 9335 O GLU 598 50.260 45.680 69.550 1.00 0.00 O +ATOM 9336 N THR 599 51.700 44.560 68.190 1.00 0.00 N +ATOM 9337 HN THR 599 52.430 43.890 68.090 1.00 0.00 H +ATOM 9338 CA THR 599 51.010 45.000 66.950 1.00 0.00 C +ATOM 9339 HA THR 599 51.010 46.070 67.100 1.00 0.00 H +ATOM 9340 CB THR 599 51.800 44.720 65.680 1.00 0.00 C +ATOM 9341 HB THR 599 51.550 43.714 65.282 1.00 0.00 H +ATOM 9342 OG1 THR 599 53.220 44.770 65.960 1.00 0.00 O +ATOM 9343 HG1 THR 599 53.628 44.282 65.242 1.00 0.00 H +ATOM 9344 CG2 THR 599 51.570 45.660 64.460 1.00 0.00 C +ATOM 9345 1HG2 THR 599 52.028 46.646 64.690 1.00 0.00 H +ATOM 9346 2HG2 THR 599 51.900 45.210 63.500 1.00 0.00 H +ATOM 9347 3HG2 THR 599 50.498 45.890 64.280 1.00 0.00 H +ATOM 9348 C THR 599 49.610 44.430 66.790 1.00 0.00 C +ATOM 9349 O THR 599 48.630 45.110 66.510 1.00 0.00 O +ATOM 9350 N LEU 600 49.440 43.130 67.080 1.00 0.00 N +ATOM 9351 HN LEU 600 50.198 42.502 67.240 1.00 0.00 H +ATOM 9352 CA LEU 600 48.130 42.530 67.080 1.00 0.00 C +ATOM 9353 HA LEU 600 47.802 42.700 66.064 1.00 0.00 H +ATOM 9354 CB LEU 600 48.160 41.000 67.330 1.00 0.00 C +ATOM 9355 HB1 LEU 600 48.788 40.820 68.228 1.00 0.00 H +ATOM 9356 HB2 LEU 600 47.162 40.566 67.552 1.00 0.00 H +ATOM 9357 CG LEU 600 48.880 40.200 66.190 1.00 0.00 C +ATOM 9358 HG LEU 600 49.730 40.850 65.890 1.00 0.00 H +ATOM 9359 CD1 LEU 600 49.280 38.880 66.720 1.00 0.00 C +ATOM 9360 1HD1 LEU 600 49.860 39.010 67.660 1.00 0.00 H +ATOM 9361 2HD1 LEU 600 48.420 38.200 66.900 1.00 0.00 H +ATOM 9362 3HD1 LEU 600 49.942 38.358 65.998 1.00 0.00 H +ATOM 9363 CD2 LEU 600 47.850 39.990 65.030 1.00 0.00 C +ATOM 9364 1HD2 LEU 600 48.230 39.222 64.322 1.00 0.00 H +ATOM 9365 2HD2 LEU 600 47.000 39.500 65.550 1.00 0.00 H +ATOM 9366 3HD2 LEU 600 47.528 40.896 64.476 1.00 0.00 H +ATOM 9367 C LEU 600 47.040 43.230 67.960 1.00 0.00 C +ATOM 9368 O LEU 600 45.890 43.390 67.510 1.00 0.00 O +ATOM 9369 N LYS 601 47.530 43.490 69.250 1.00 0.00 N +ATOM 9370 HN LYS 601 48.404 43.118 69.552 1.00 0.00 H +ATOM 9371 CA LYS 601 46.740 44.220 70.230 1.00 0.00 C +ATOM 9372 HA LYS 601 45.764 43.768 70.330 1.00 0.00 H +ATOM 9373 CB LYS 601 47.480 44.380 71.630 1.00 0.00 C +ATOM 9374 HB1 LYS 601 48.432 44.946 71.530 1.00 0.00 H +ATOM 9375 HB2 LYS 601 46.802 44.940 72.308 1.00 0.00 H +ATOM 9376 CG LYS 601 47.700 43.120 72.470 1.00 0.00 C +ATOM 9377 HG1 LYS 601 46.756 42.688 72.862 1.00 0.00 H +ATOM 9378 HG2 LYS 601 48.200 42.300 71.910 1.00 0.00 H +ATOM 9379 CD LYS 601 48.660 43.380 73.720 1.00 0.00 C +ATOM 9380 HD1 LYS 601 49.648 43.750 73.370 1.00 0.00 H +ATOM 9381 HD2 LYS 601 48.180 44.108 74.408 1.00 0.00 H +ATOM 9382 CE LYS 601 49.000 42.160 74.520 1.00 0.00 C +ATOM 9383 HE1 LYS 601 48.136 41.748 75.082 1.00 0.00 H +ATOM 9384 HE2 LYS 601 49.448 41.472 73.772 1.00 0.00 H +ATOM 9385 NZ LYS 601 50.030 42.300 75.520 1.00 0.00 N +ATOM 9386 HZ1 LYS 601 49.860 43.096 76.168 1.00 0.00 H +ATOM 9387 HZ2 LYS 601 50.080 41.426 76.082 1.00 0.00 H +ATOM 9388 HZ3 LYS 601 50.994 42.380 75.138 1.00 0.00 H +ATOM 9389 C LYS 601 46.370 45.680 69.790 1.00 0.00 C +ATOM 9390 O LYS 601 45.180 46.060 69.870 1.00 0.00 O +ATOM 9391 N GLU 602 47.370 46.450 69.190 1.00 0.00 N +ATOM 9392 HN GLU 602 48.322 46.160 69.220 1.00 0.00 H +ATOM 9393 CA GLU 602 47.110 47.760 68.580 1.00 0.00 C +ATOM 9394 HA GLU 602 46.660 48.330 69.380 1.00 0.00 H +ATOM 9395 CB GLU 602 48.450 48.450 68.110 1.00 0.00 C +ATOM 9396 HB1 GLU 602 48.978 48.958 68.946 1.00 0.00 H +ATOM 9397 HB2 GLU 602 49.148 47.654 67.772 1.00 0.00 H +ATOM 9398 CG GLU 602 48.180 49.410 66.930 1.00 0.00 C +ATOM 9399 HG1 GLU 602 47.820 48.900 66.010 1.00 0.00 H +ATOM 9400 HG2 GLU 602 47.330 50.060 67.230 1.00 0.00 H +ATOM 9401 CD GLU 602 49.320 50.320 66.680 1.00 0.00 C +ATOM 9402 OE1 GLU 602 49.210 51.220 65.820 1.00 0.00 O +ATOM 9403 OE2 GLU 602 50.380 50.250 67.440 1.00 0.00 O +ATOM 9404 C GLU 602 46.020 47.680 67.450 1.00 0.00 C +ATOM 9405 O GLU 602 45.180 48.540 67.280 1.00 0.00 O +ATOM 9406 N LEU 603 46.010 46.660 66.630 1.00 0.00 N +ATOM 9407 HN LEU 603 46.720 45.960 66.620 1.00 0.00 H +ATOM 9408 CA LEU 603 44.930 46.420 65.640 1.00 0.00 C +ATOM 9409 HA LEU 603 44.538 47.342 65.238 1.00 0.00 H +ATOM 9410 CB LEU 603 45.540 45.620 64.450 1.00 0.00 C +ATOM 9411 HB1 LEU 603 45.850 44.600 64.760 1.00 0.00 H +ATOM 9412 HB2 LEU 603 44.788 45.510 63.638 1.00 0.00 H +ATOM 9413 CG LEU 603 46.720 46.290 63.780 1.00 0.00 C +ATOM 9414 HG LEU 603 47.480 46.620 64.520 1.00 0.00 H +ATOM 9415 CD1 LEU 603 47.320 45.280 62.780 1.00 0.00 C +ATOM 9416 1HD1 LEU 603 46.666 45.130 61.896 1.00 0.00 H +ATOM 9417 2HD1 LEU 603 48.278 45.720 62.430 1.00 0.00 H +ATOM 9418 3HD1 LEU 603 47.490 44.330 63.330 1.00 0.00 H +ATOM 9419 CD2 LEU 603 46.280 47.540 63.050 1.00 0.00 C +ATOM 9420 1HD2 LEU 603 45.930 48.320 63.760 1.00 0.00 H +ATOM 9421 2HD2 LEU 603 47.098 47.950 62.420 1.00 0.00 H +ATOM 9422 3HD2 LEU 603 45.394 47.360 62.404 1.00 0.00 H +ATOM 9423 C LEU 603 43.740 45.690 66.050 1.00 0.00 C +ATOM 9424 O LEU 603 43.060 45.130 65.130 1.00 0.00 O +ATOM 9425 N ASP 604 43.420 45.510 67.370 1.00 0.00 N +ATOM 9426 HN ASP 604 43.910 46.050 68.050 1.00 0.00 H +ATOM 9427 CA ASP 604 42.270 44.790 67.810 1.00 0.00 C +ATOM 9428 HA ASP 604 42.290 44.820 68.890 1.00 0.00 H +ATOM 9429 CB ASP 604 40.920 45.460 67.360 1.00 0.00 C +ATOM 9430 HB1 ASP 604 40.670 45.200 66.310 1.00 0.00 H +ATOM 9431 HB2 ASP 604 40.092 45.100 68.008 1.00 0.00 H +ATOM 9432 CG ASP 604 40.970 46.940 67.550 1.00 0.00 C +ATOM 9433 OD1 ASP 604 41.120 47.330 68.720 1.00 0.00 O +ATOM 9434 OD2 ASP 604 40.850 47.740 66.590 1.00 0.00 O +ATOM 9435 C ASP 604 42.140 43.210 67.520 1.00 0.00 C +ATOM 9436 O ASP 604 41.110 42.610 67.660 1.00 0.00 O +ATOM 9437 N LEU 605 43.240 42.610 67.200 1.00 0.00 N +ATOM 9438 HN LEU 605 44.098 43.118 67.200 1.00 0.00 H +ATOM 9439 CA LEU 605 43.370 41.250 66.770 1.00 0.00 C +ATOM 9440 HA LEU 605 42.362 40.998 66.478 1.00 0.00 H +ATOM 9441 CB LEU 605 44.360 41.050 65.610 1.00 0.00 C +ATOM 9442 HB1 LEU 605 45.348 41.498 65.850 1.00 0.00 H +ATOM 9443 HB2 LEU 605 44.520 39.974 65.380 1.00 0.00 H +ATOM 9444 CG LEU 605 43.920 41.750 64.300 1.00 0.00 C +ATOM 9445 HG LEU 605 43.790 42.842 64.458 1.00 0.00 H +ATOM 9446 CD1 LEU 605 45.090 41.620 63.290 1.00 0.00 C +ATOM 9447 1HD1 LEU 605 45.902 42.242 63.722 1.00 0.00 H +ATOM 9448 2HD1 LEU 605 45.488 40.584 63.240 1.00 0.00 H +ATOM 9449 3HD1 LEU 605 44.720 41.910 62.282 1.00 0.00 H +ATOM 9450 CD2 LEU 605 42.590 41.130 63.700 1.00 0.00 C +ATOM 9451 1HD2 LEU 605 41.792 41.050 64.468 1.00 0.00 H +ATOM 9452 2HD2 LEU 605 42.192 41.916 63.022 1.00 0.00 H +ATOM 9453 3HD2 LEU 605 42.790 40.146 63.228 1.00 0.00 H +ATOM 9454 C LEU 605 43.790 40.430 67.950 1.00 0.00 C +ATOM 9455 O LEU 605 44.520 39.410 67.710 1.00 0.00 O +ATOM 9456 N ASP 606 43.490 40.770 69.230 1.00 0.00 N +ATOM 9457 HN ASP 606 43.088 41.664 69.410 1.00 0.00 H +ATOM 9458 CA ASP 606 43.780 40.070 70.430 1.00 0.00 C +ATOM 9459 HA ASP 606 44.844 40.190 70.570 1.00 0.00 H +ATOM 9460 CB ASP 606 42.980 40.840 71.580 1.00 0.00 C +ATOM 9461 HB1 ASP 606 41.950 40.910 71.170 1.00 0.00 H +ATOM 9462 HB2 ASP 606 43.090 40.290 72.540 1.00 0.00 H +ATOM 9463 CG ASP 606 43.380 42.240 71.650 1.00 0.00 C +ATOM 9464 OD1 ASP 606 44.150 42.660 72.530 1.00 0.00 O +ATOM 9465 OD2 ASP 606 43.050 43.010 70.730 1.00 0.00 O +ATOM 9466 C ASP 606 43.390 38.610 70.420 1.00 0.00 C +ATOM 9467 O ASP 606 44.020 37.660 70.860 1.00 0.00 O +ATOM 9468 N PHE 607 42.230 38.290 69.800 1.00 0.00 N +ATOM 9469 HN PHE 607 41.628 39.042 69.540 1.00 0.00 H +ATOM 9470 CA PHE 607 41.770 36.950 69.650 1.00 0.00 C +ATOM 9471 HA PHE 607 41.730 36.520 70.640 1.00 0.00 H +ATOM 9472 CB PHE 607 40.330 37.040 69.020 1.00 0.00 C +ATOM 9473 HB1 PHE 607 39.908 36.016 68.950 1.00 0.00 H +ATOM 9474 HB2 PHE 607 39.628 37.580 69.692 1.00 0.00 H +ATOM 9475 CG PHE 607 40.320 37.810 67.680 1.00 0.00 C +ATOM 9476 CD1 PHE 607 40.000 39.140 67.690 1.00 0.00 C +ATOM 9477 HD1 PHE 607 39.940 39.720 68.600 1.00 0.00 H +ATOM 9478 CE1 PHE 607 39.900 39.840 66.480 1.00 0.00 C +ATOM 9479 HE1 PHE 607 39.648 40.886 66.570 1.00 0.00 H +ATOM 9480 CZ PHE 607 39.980 39.160 65.200 1.00 0.00 C +ATOM 9481 HZ PHE 607 39.890 39.632 64.234 1.00 0.00 H +ATOM 9482 CD2 PHE 607 40.420 37.060 66.510 1.00 0.00 C +ATOM 9483 HD2 PHE 607 40.700 36.018 66.520 1.00 0.00 H +ATOM 9484 CE2 PHE 607 40.310 37.780 65.300 1.00 0.00 C +ATOM 9485 HE2 PHE 607 40.370 37.238 64.368 1.00 0.00 H +ATOM 9486 C PHE 607 42.660 35.980 68.890 1.00 0.00 C +ATOM 9487 O PHE 607 42.690 34.750 69.060 1.00 0.00 O +ATOM 9488 N VAL 608 43.410 36.550 67.940 1.00 0.00 N +ATOM 9489 HN VAL 608 43.510 37.532 67.802 1.00 0.00 H +ATOM 9490 CA VAL 608 44.360 35.860 67.130 1.00 0.00 C +ATOM 9491 HA VAL 608 43.832 35.014 66.712 1.00 0.00 H +ATOM 9492 CB VAL 608 44.930 36.700 65.990 1.00 0.00 C +ATOM 9493 HB VAL 608 45.290 37.680 66.370 1.00 0.00 H +ATOM 9494 CG1 VAL 608 46.110 36.140 65.230 1.00 0.00 C +ATOM 9495 1HG1 VAL 608 46.934 36.160 65.974 1.00 0.00 H +ATOM 9496 2HG1 VAL 608 45.860 35.200 64.690 1.00 0.00 H +ATOM 9497 3HG1 VAL 608 46.462 36.822 64.428 1.00 0.00 H +ATOM 9498 CG2 VAL 608 43.790 37.040 64.970 1.00 0.00 C +ATOM 9499 1HG2 VAL 608 44.220 37.600 64.112 1.00 0.00 H +ATOM 9500 2HG2 VAL 608 43.268 36.106 64.668 1.00 0.00 H +ATOM 9501 3HG2 VAL 608 43.030 37.670 65.480 1.00 0.00 H +ATOM 9502 C VAL 608 45.570 35.320 68.010 1.00 0.00 C +ATOM 9503 O VAL 608 45.970 34.180 67.840 1.00 0.00 O +ATOM 9504 N ILE 609 46.050 36.150 68.970 1.00 0.00 N +ATOM 9505 HN ILE 609 45.728 37.088 69.060 1.00 0.00 H +ATOM 9506 CA ILE 609 47.270 35.860 69.780 1.00 0.00 C +ATOM 9507 HA ILE 609 48.072 35.850 69.058 1.00 0.00 H +ATOM 9508 CB ILE 609 47.510 37.000 70.820 1.00 0.00 C +ATOM 9509 HB ILE 609 46.662 37.020 71.538 1.00 0.00 H +ATOM 9510 CG2 ILE 609 48.820 36.830 71.490 1.00 0.00 C +ATOM 9511 1HG2 ILE 609 49.644 37.102 70.796 1.00 0.00 H +ATOM 9512 2HG2 ILE 609 48.950 37.462 72.394 1.00 0.00 H +ATOM 9513 3HG2 ILE 609 48.940 35.792 71.870 1.00 0.00 H +ATOM 9514 CG1 ILE 609 47.470 38.430 70.150 1.00 0.00 C +ATOM 9515 1HG1 ILE 609 48.080 38.410 69.220 1.00 0.00 H +ATOM 9516 2HG1 ILE 609 46.416 38.500 69.808 1.00 0.00 H +ATOM 9517 CD ILE 609 47.590 39.680 71.050 1.00 0.00 C +ATOM 9518 HD1 ILE 609 47.022 39.560 71.998 1.00 0.00 H +ATOM 9519 HD2 ILE 609 48.632 40.030 71.210 1.00 0.00 H +ATOM 9520 HD3 ILE 609 47.038 40.522 70.580 1.00 0.00 H +ATOM 9521 C ILE 609 47.420 34.460 70.350 1.00 0.00 C +ATOM 9522 O ILE 609 48.310 33.790 69.900 1.00 0.00 O +ATOM 9523 N PRO 610 46.540 33.900 71.270 1.00 0.00 N +ATOM 9524 CD PRO 610 45.190 34.460 71.540 1.00 0.00 C +ATOM 9525 HD1 PRO 610 44.660 34.730 70.602 1.00 0.00 H +ATOM 9526 HD2 PRO 610 45.250 35.392 72.142 1.00 0.00 H +ATOM 9527 CA PRO 610 46.610 32.460 71.780 1.00 0.00 C +ATOM 9528 HA PRO 610 47.606 32.320 72.172 1.00 0.00 H +ATOM 9529 CB PRO 610 45.500 32.400 72.800 1.00 0.00 C +ATOM 9530 HB1 PRO 610 45.120 31.410 73.130 1.00 0.00 H +ATOM 9531 HB2 PRO 610 45.968 32.688 73.766 1.00 0.00 H +ATOM 9532 CG PRO 610 44.470 33.370 72.280 1.00 0.00 C +ATOM 9533 HG1 PRO 610 43.894 32.724 71.584 1.00 0.00 H +ATOM 9534 HG2 PRO 610 43.724 33.698 73.036 1.00 0.00 H +ATOM 9535 C PRO 610 46.520 31.380 70.790 1.00 0.00 C +ATOM 9536 O PRO 610 47.000 30.240 71.070 1.00 0.00 O +ATOM 9537 N GLU 611 45.830 31.620 69.660 1.00 0.00 N +ATOM 9538 HN GLU 611 45.480 32.542 69.510 1.00 0.00 H +ATOM 9539 CA GLU 611 45.580 30.680 68.510 1.00 0.00 C +ATOM 9540 HA GLU 611 45.480 29.718 68.990 1.00 0.00 H +ATOM 9541 CB GLU 611 44.380 31.130 67.620 1.00 0.00 C +ATOM 9542 HB1 GLU 611 44.550 32.218 67.480 1.00 0.00 H +ATOM 9543 HB2 GLU 611 44.290 30.762 66.576 1.00 0.00 H +ATOM 9544 CG GLU 611 42.990 30.970 68.180 1.00 0.00 C +ATOM 9545 HG1 GLU 611 42.930 31.400 69.202 1.00 0.00 H +ATOM 9546 HG2 GLU 611 42.250 31.590 67.630 1.00 0.00 H +ATOM 9547 CD GLU 611 42.520 29.540 68.180 1.00 0.00 C +ATOM 9548 OE1 GLU 611 41.330 29.310 68.420 1.00 0.00 O +ATOM 9549 OE2 GLU 611 43.310 28.640 67.870 1.00 0.00 O +ATOM 9550 C GLU 611 46.870 30.630 67.710 1.00 0.00 C +ATOM 9551 O GLU 611 47.270 29.490 67.340 1.00 0.00 O +ATOM 9552 N LEU 612 47.560 31.740 67.360 1.00 0.00 N +ATOM 9553 HN LEU 612 47.180 32.612 67.660 1.00 0.00 H +ATOM 9554 CA LEU 612 48.910 31.750 66.870 1.00 0.00 C +ATOM 9555 HA LEU 612 48.930 31.050 66.048 1.00 0.00 H +ATOM 9556 CB LEU 612 49.530 33.060 66.350 1.00 0.00 C +ATOM 9557 HB1 LEU 612 49.510 33.804 67.174 1.00 0.00 H +ATOM 9558 HB2 LEU 612 50.540 32.870 65.930 1.00 0.00 H +ATOM 9559 CG LEU 612 48.890 33.760 65.110 1.00 0.00 C +ATOM 9560 HG LEU 612 47.856 33.938 65.478 1.00 0.00 H +ATOM 9561 CD1 LEU 612 49.620 35.120 64.820 1.00 0.00 C +ATOM 9562 1HD1 LEU 612 49.840 35.600 65.798 1.00 0.00 H +ATOM 9563 2HD1 LEU 612 50.592 34.900 64.330 1.00 0.00 H +ATOM 9564 3HD1 LEU 612 49.118 35.742 64.048 1.00 0.00 H +ATOM 9565 CD2 LEU 612 48.850 32.900 63.800 1.00 0.00 C +ATOM 9566 1HD2 LEU 612 48.280 33.560 63.110 1.00 0.00 H +ATOM 9567 2HD2 LEU 612 49.886 32.720 63.442 1.00 0.00 H +ATOM 9568 3HD2 LEU 612 48.368 31.906 63.910 1.00 0.00 H +ATOM 9569 C LEU 612 49.850 31.150 67.850 1.00 0.00 C +ATOM 9570 O LEU 612 50.810 30.450 67.510 1.00 0.00 O +ATOM 9571 N GLU 613 49.660 31.320 69.240 1.00 0.00 N +ATOM 9572 HN GLU 613 49.002 31.918 69.690 1.00 0.00 H +ATOM 9573 CA GLU 613 50.640 30.800 70.170 1.00 0.00 C +ATOM 9574 HA GLU 613 51.600 31.150 69.820 1.00 0.00 H +ATOM 9575 CB GLU 613 50.490 31.400 71.600 1.00 0.00 C +ATOM 9576 HB1 GLU 613 49.390 31.400 71.750 1.00 0.00 H +ATOM 9577 HB2 GLU 613 50.938 30.732 72.368 1.00 0.00 H +ATOM 9578 CG GLU 613 51.220 32.860 71.650 1.00 0.00 C +ATOM 9579 HG1 GLU 613 52.182 32.730 71.110 1.00 0.00 H +ATOM 9580 HG2 GLU 613 50.498 33.592 71.228 1.00 0.00 H +ATOM 9581 CD GLU 613 51.600 33.210 73.130 1.00 0.00 C +ATOM 9582 OE1 GLU 613 52.800 33.500 73.480 1.00 0.00 O +ATOM 9583 OE2 GLU 613 50.670 33.230 73.930 1.00 0.00 O +ATOM 9584 C GLU 613 50.680 29.250 70.220 1.00 0.00 C +ATOM 9585 O GLU 613 51.650 28.630 70.650 1.00 0.00 O +ATOM 9586 N LYS 614 49.670 28.570 69.610 1.00 0.00 N +ATOM 9587 HN LYS 614 48.924 29.048 69.152 1.00 0.00 H +ATOM 9588 CA LYS 614 49.660 27.150 69.320 1.00 0.00 C +ATOM 9589 HA LYS 614 50.078 26.642 70.176 1.00 0.00 H +ATOM 9590 CB LYS 614 48.210 26.540 69.100 1.00 0.00 C +ATOM 9591 HB1 LYS 614 47.828 27.002 68.166 1.00 0.00 H +ATOM 9592 HB2 LYS 614 48.280 25.478 68.780 1.00 0.00 H +ATOM 9593 CG LYS 614 47.350 26.620 70.360 1.00 0.00 C +ATOM 9594 HG1 LYS 614 47.810 26.012 71.168 1.00 0.00 H +ATOM 9595 HG2 LYS 614 47.480 27.680 70.670 1.00 0.00 H +ATOM 9596 CD LYS 614 45.870 26.340 69.970 1.00 0.00 C +ATOM 9597 HD1 LYS 614 45.790 26.580 68.888 1.00 0.00 H +ATOM 9598 HD2 LYS 614 45.508 25.336 70.282 1.00 0.00 H +ATOM 9599 CE LYS 614 44.880 27.250 70.730 1.00 0.00 C +ATOM 9600 HE1 LYS 614 44.780 26.900 71.780 1.00 0.00 H +ATOM 9601 HE2 LYS 614 45.232 28.294 70.870 1.00 0.00 H +ATOM 9602 NZ LYS 614 43.520 27.220 70.130 1.00 0.00 N +ATOM 9603 HZ1 LYS 614 43.350 26.220 69.900 1.00 0.00 H +ATOM 9604 HZ2 LYS 614 42.820 27.560 70.820 1.00 0.00 H +ATOM 9605 HZ3 LYS 614 43.510 27.740 69.230 1.00 0.00 H +ATOM 9606 C LYS 614 50.660 26.690 68.260 1.00 0.00 C +ATOM 9607 O LYS 614 51.220 25.560 68.340 1.00 0.00 O +ATOM 9608 N VAL 615 50.870 27.490 67.180 1.00 0.00 N +ATOM 9609 HN VAL 615 50.502 28.416 67.180 1.00 0.00 H +ATOM 9610 CA VAL 615 51.540 27.060 66.010 1.00 0.00 C +ATOM 9611 HA VAL 615 51.690 25.994 66.080 1.00 0.00 H +ATOM 9612 CB VAL 615 50.740 27.470 64.710 1.00 0.00 C +ATOM 9613 HB VAL 615 51.370 27.250 63.822 1.00 0.00 H +ATOM 9614 CG1 VAL 615 49.450 26.580 64.650 1.00 0.00 C +ATOM 9615 1HG1 VAL 615 48.918 26.650 65.622 1.00 0.00 H +ATOM 9616 2HG1 VAL 615 48.872 26.918 63.764 1.00 0.00 H +ATOM 9617 3HG1 VAL 615 49.760 25.542 64.400 1.00 0.00 H +ATOM 9618 CG2 VAL 615 50.430 28.900 64.700 1.00 0.00 C +ATOM 9619 1HG2 VAL 615 51.346 29.468 64.970 1.00 0.00 H +ATOM 9620 2HG2 VAL 615 50.118 29.242 63.692 1.00 0.00 H +ATOM 9621 3HG2 VAL 615 49.720 28.990 65.550 1.00 0.00 H +ATOM 9622 C VAL 615 53.020 27.490 66.010 1.00 0.00 C +ATOM 9623 O VAL 615 53.930 27.000 65.310 1.00 0.00 O +ATOM 9624 N THR 616 53.380 28.580 66.750 1.00 0.00 N +ATOM 9625 HN THR 616 52.764 28.898 67.466 1.00 0.00 H +ATOM 9626 CA THR 616 54.690 29.170 66.640 1.00 0.00 C +ATOM 9627 HA THR 616 55.422 28.418 66.890 1.00 0.00 H +ATOM 9628 CB THR 616 54.940 29.890 65.350 1.00 0.00 C +ATOM 9629 HB THR 616 54.470 29.290 64.540 1.00 0.00 H +ATOM 9630 OG1 THR 616 56.290 30.070 64.990 1.00 0.00 O +ATOM 9631 HG1 THR 616 56.490 29.216 64.598 1.00 0.00 H +ATOM 9632 CG2 THR 616 54.270 31.280 65.260 1.00 0.00 C +ATOM 9633 1HG2 THR 616 53.222 31.280 65.630 1.00 0.00 H +ATOM 9634 2HG2 THR 616 54.772 32.014 65.924 1.00 0.00 H +ATOM 9635 3HG2 THR 616 54.390 31.742 64.256 1.00 0.00 H +ATOM 9636 C THR 616 54.780 30.150 67.780 1.00 0.00 C +ATOM 9637 O THR 616 53.870 30.580 68.470 1.00 0.00 O +ATOM 9638 N ASN 617 56.030 30.420 68.130 1.00 0.00 N +ATOM 9639 HN ASN 617 56.706 29.872 67.642 1.00 0.00 H +ATOM 9640 CA ASN 617 56.290 31.470 69.170 1.00 0.00 C +ATOM 9641 HA ASN 617 55.500 31.380 69.900 1.00 0.00 H +ATOM 9642 CB ASN 617 57.630 31.280 69.840 1.00 0.00 C +ATOM 9643 HB1 ASN 617 58.420 31.460 69.080 1.00 0.00 H +ATOM 9644 HB2 ASN 617 57.780 32.002 70.672 1.00 0.00 H +ATOM 9645 CG ASN 617 57.710 29.840 70.320 1.00 0.00 C +ATOM 9646 OD1 ASN 617 56.810 29.240 70.850 1.00 0.00 O +ATOM 9647 ND2 ASN 617 58.880 29.220 69.990 1.00 0.00 N +ATOM 9648 1HD2 ASN 617 59.496 29.408 69.224 1.00 0.00 H +ATOM 9649 2HD2 ASN 617 58.870 28.266 70.290 1.00 0.00 H +ATOM 9650 C ASN 617 56.100 32.830 68.520 1.00 0.00 C +ATOM 9651 O ASN 617 56.550 33.120 67.390 1.00 0.00 O +ATOM 9652 N LEU 618 55.530 33.730 69.300 1.00 0.00 N +ATOM 9653 HN LEU 618 55.188 33.498 70.206 1.00 0.00 H +ATOM 9654 CA LEU 618 55.390 35.210 68.960 1.00 0.00 C +ATOM 9655 HA LEU 618 55.630 35.320 67.912 1.00 0.00 H +ATOM 9656 CB LEU 618 54.000 35.660 69.170 1.00 0.00 C +ATOM 9657 HB1 LEU 618 53.760 35.480 70.240 1.00 0.00 H +ATOM 9658 HB2 LEU 618 53.910 36.758 69.030 1.00 0.00 H +ATOM 9659 CG LEU 618 52.950 35.060 68.230 1.00 0.00 C +ATOM 9660 HG LEU 618 52.960 33.978 68.480 1.00 0.00 H +ATOM 9661 CD1 LEU 618 51.620 35.760 68.480 1.00 0.00 C +ATOM 9662 1HD1 LEU 618 50.822 35.340 67.832 1.00 0.00 H +ATOM 9663 2HD1 LEU 618 51.470 35.630 69.572 1.00 0.00 H +ATOM 9664 3HD1 LEU 618 51.630 36.862 68.340 1.00 0.00 H +ATOM 9665 CD2 LEU 618 53.280 35.070 66.700 1.00 0.00 C +ATOM 9666 1HD2 LEU 618 52.602 34.422 66.102 1.00 0.00 H +ATOM 9667 2HD2 LEU 618 53.200 36.116 66.338 1.00 0.00 H +ATOM 9668 3HD2 LEU 618 54.276 34.602 66.550 1.00 0.00 H +ATOM 9669 C LEU 618 56.350 36.110 69.650 1.00 0.00 C +ATOM 9670 O LEU 618 57.000 35.670 70.650 1.00 0.00 O +ATOM 9671 N GLU 619 56.560 37.330 69.170 1.00 0.00 N +ATOM 9672 HN GLU 619 56.248 37.532 68.244 1.00 0.00 H +ATOM 9673 CA GLU 619 57.250 38.370 69.910 1.00 0.00 C +ATOM 9674 HA GLU 619 57.878 37.892 70.648 1.00 0.00 H +ATOM 9675 CB GLU 619 58.180 39.250 69.010 1.00 0.00 C +ATOM 9676 HB1 GLU 619 57.680 39.540 68.060 1.00 0.00 H +ATOM 9677 HB2 GLU 619 58.490 40.162 69.562 1.00 0.00 H +ATOM 9678 CG GLU 619 59.450 38.480 68.630 1.00 0.00 C +ATOM 9679 HG1 GLU 619 59.928 38.380 69.628 1.00 0.00 H +ATOM 9680 HG2 GLU 619 59.168 37.496 68.198 1.00 0.00 H +ATOM 9681 CD GLU 619 60.460 39.100 67.640 1.00 0.00 C +ATOM 9682 OE1 GLU 619 61.130 38.330 66.910 1.00 0.00 O +ATOM 9683 OE2 GLU 619 60.750 40.370 67.730 1.00 0.00 O +ATOM 9684 C GLU 619 56.130 39.250 70.510 1.00 0.00 C +ATOM 9685 OT1 GLU 619 55.190 39.570 69.770 1.00 0.00 O +ATOM 9686 OT2 GLU 619 56.250 39.640 71.720 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1b2s_E.pdb b/data/PDBs/1b2s_E.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3c16f9d1362c1d97e9a78f2f29258465dfa280fd --- /dev/null +++ b/data/PDBs/1b2s_E.pdb @@ -0,0 +1,1454 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 52.958 53.350 54.223 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N MET 1 23.460 13.650 19.810 1.00 0.00 N +ATOM 2 H1 MET 1 23.120 14.502 20.300 1.00 0.00 H +ATOM 3 H2 MET 1 23.840 13.870 18.868 1.00 0.00 H +ATOM 4 H3 MET 1 22.788 12.858 19.780 1.00 0.00 H +ATOM 5 CA MET 1 24.580 13.150 20.660 1.00 0.00 C +ATOM 6 HA MET 1 24.780 12.208 20.170 1.00 0.00 H +ATOM 7 CB MET 1 25.700 14.240 20.640 1.00 0.00 C +ATOM 8 HB1 MET 1 25.492 15.174 21.206 1.00 0.00 H +ATOM 9 HB2 MET 1 26.494 13.818 21.292 1.00 0.00 H +ATOM 10 CG MET 1 26.390 14.600 19.320 1.00 0.00 C +ATOM 11 HG1 MET 1 25.636 15.102 18.678 1.00 0.00 H +ATOM 12 HG2 MET 1 27.166 15.366 19.530 1.00 0.00 H +ATOM 13 SD MET 1 27.060 13.030 18.570 1.00 0.00 S +ATOM 14 CE MET 1 28.670 13.610 18.120 1.00 0.00 C +ATOM 15 HE1 MET 1 29.238 13.880 19.036 1.00 0.00 H +ATOM 16 HE2 MET 1 29.280 12.870 17.560 1.00 0.00 H +ATOM 17 HE3 MET 1 28.410 14.550 17.590 1.00 0.00 H +ATOM 18 C MET 1 24.280 12.760 22.090 1.00 0.00 C +ATOM 19 O MET 1 23.100 12.850 22.480 1.00 0.00 O +ATOM 20 N LYS 2 25.260 12.310 22.850 1.00 0.00 N +ATOM 21 HN LYS 2 26.166 12.070 22.512 1.00 0.00 H +ATOM 22 CA LYS 2 25.210 12.260 24.320 1.00 0.00 C +ATOM 23 HA LYS 2 24.430 11.560 24.580 1.00 0.00 H +ATOM 24 CB LYS 2 26.530 11.740 24.850 1.00 0.00 C +ATOM 25 HB1 LYS 2 27.406 12.188 24.332 1.00 0.00 H +ATOM 26 HB2 LYS 2 26.650 11.920 25.940 1.00 0.00 H +ATOM 27 CG LYS 2 26.680 10.220 24.780 1.00 0.00 C +ATOM 28 HG1 LYS 2 25.808 9.748 25.282 1.00 0.00 H +ATOM 29 HG2 LYS 2 26.630 10.040 23.686 1.00 0.00 H +ATOM 30 CD LYS 2 27.870 9.640 25.510 1.00 0.00 C +ATOM 31 HD1 LYS 2 28.704 10.082 24.926 1.00 0.00 H +ATOM 32 HD2 LYS 2 27.820 10.160 26.490 1.00 0.00 H +ATOM 33 CE LYS 2 27.910 8.110 25.500 1.00 0.00 C +ATOM 34 HE1 LYS 2 27.094 7.772 26.176 1.00 0.00 H +ATOM 35 HE2 LYS 2 27.890 7.828 24.426 1.00 0.00 H +ATOM 36 NZ LYS 2 29.190 7.710 26.010 1.00 0.00 N +ATOM 37 HZ1 LYS 2 29.200 6.674 26.100 1.00 0.00 H +ATOM 38 HZ2 LYS 2 29.930 8.000 25.340 1.00 0.00 H +ATOM 39 HZ3 LYS 2 29.370 8.040 26.980 1.00 0.00 H +ATOM 40 C LYS 2 24.890 13.720 24.920 1.00 0.00 C +ATOM 41 O LYS 2 25.140 14.700 24.210 1.00 0.00 O +ATOM 42 N LYS 3 24.440 13.790 26.200 1.00 0.00 N +ATOM 43 HN LYS 3 24.230 13.052 26.838 1.00 0.00 H +ATOM 44 CA LYS 3 24.200 15.130 26.740 1.00 0.00 C +ATOM 45 HA LYS 3 23.638 15.650 25.978 1.00 0.00 H +ATOM 46 CB LYS 3 23.510 15.080 28.130 1.00 0.00 C +ATOM 47 HB1 LYS 3 24.212 14.660 28.882 1.00 0.00 H +ATOM 48 HB2 LYS 3 23.390 16.092 28.572 1.00 0.00 H +ATOM 49 CG LYS 3 22.200 14.310 28.230 1.00 0.00 C +ATOM 50 HG1 LYS 3 21.356 14.772 27.676 1.00 0.00 H +ATOM 51 HG2 LYS 3 22.310 13.340 27.700 1.00 0.00 H +ATOM 52 CD LYS 3 21.760 14.030 29.680 1.00 0.00 C +ATOM 53 HD1 LYS 3 22.526 13.446 30.234 1.00 0.00 H +ATOM 54 HD2 LYS 3 21.710 15.036 30.148 1.00 0.00 H +ATOM 55 CE LYS 3 20.360 13.440 29.810 1.00 0.00 C +ATOM 56 HE1 LYS 3 19.612 14.188 29.470 1.00 0.00 H +ATOM 57 HE2 LYS 3 20.290 12.554 29.142 1.00 0.00 H +ATOM 58 NZ LYS 3 20.060 13.180 31.180 1.00 0.00 N +ATOM 59 HZ1 LYS 3 19.032 13.080 31.310 1.00 0.00 H +ATOM 60 HZ2 LYS 3 20.480 12.352 31.648 1.00 0.00 H +ATOM 61 HZ3 LYS 3 20.318 13.964 31.814 1.00 0.00 H +ATOM 62 C LYS 3 25.490 16.010 26.800 1.00 0.00 C +ATOM 63 O LYS 3 26.540 15.560 27.270 1.00 0.00 O +ATOM 64 N ALA 4 25.480 17.270 26.400 1.00 0.00 N +ATOM 65 HN ALA 4 24.670 17.688 26.000 1.00 0.00 H +ATOM 66 CA ALA 4 26.480 18.218 26.840 1.00 0.00 C +ATOM 67 HA ALA 4 27.454 17.754 26.800 1.00 0.00 H +ATOM 68 CB ALA 4 26.600 19.450 25.830 1.00 0.00 C +ATOM 69 HB1 ALA 4 26.910 19.130 24.812 1.00 0.00 H +ATOM 70 HB2 ALA 4 25.602 19.908 25.660 1.00 0.00 H +ATOM 71 HB3 ALA 4 27.350 20.210 26.140 1.00 0.00 H +ATOM 72 C ALA 4 26.390 18.608 28.350 1.00 0.00 C +ATOM 73 O ALA 4 25.290 18.750 28.870 1.00 0.00 O +ATOM 74 N VAL 5 27.460 18.608 29.050 1.00 0.00 N +ATOM 75 HN VAL 5 28.328 18.410 28.602 1.00 0.00 H +ATOM 76 CA VAL 5 27.420 18.820 30.420 1.00 0.00 C +ATOM 77 HA VAL 5 26.422 19.030 30.778 1.00 0.00 H +ATOM 78 CB VAL 5 27.710 17.540 31.170 1.00 0.00 C +ATOM 79 HB VAL 5 28.670 17.130 30.790 1.00 0.00 H +ATOM 80 CG1 VAL 5 27.630 17.630 32.660 1.00 0.00 C +ATOM 81 1HG1 VAL 5 27.630 16.584 33.038 1.00 0.00 H +ATOM 82 2HG1 VAL 5 28.494 18.082 33.192 1.00 0.00 H +ATOM 83 3HG1 VAL 5 26.676 18.088 32.998 1.00 0.00 H +ATOM 84 CG2 VAL 5 26.660 16.530 30.730 1.00 0.00 C +ATOM 85 1HG2 VAL 5 26.952 16.128 29.736 1.00 0.00 H +ATOM 86 2HG2 VAL 5 26.560 15.762 31.528 1.00 0.00 H +ATOM 87 3HG2 VAL 5 25.642 16.970 30.650 1.00 0.00 H +ATOM 88 C VAL 5 28.430 19.870 30.860 1.00 0.00 C +ATOM 89 O VAL 5 29.540 19.810 30.390 1.00 0.00 O +ATOM 90 N ILE 6 27.990 20.900 31.660 1.00 0.00 N +ATOM 91 HN ILE 6 27.004 21.050 31.690 1.00 0.00 H +ATOM 92 CA ILE 6 28.900 21.840 32.360 1.00 0.00 C +ATOM 93 HA ILE 6 29.886 21.740 31.932 1.00 0.00 H +ATOM 94 CB ILE 6 28.370 23.290 32.230 1.00 0.00 C +ATOM 95 HB ILE 6 27.338 23.370 32.632 1.00 0.00 H +ATOM 96 CG2 ILE 6 29.260 24.350 32.910 1.00 0.00 C +ATOM 97 1HG2 ILE 6 28.660 25.280 33.010 1.00 0.00 H +ATOM 98 2HG2 ILE 6 29.492 24.138 33.976 1.00 0.00 H +ATOM 99 3HG2 ILE 6 30.174 24.640 32.348 1.00 0.00 H +ATOM 100 CG1 ILE 6 28.240 23.730 30.730 1.00 0.00 C +ATOM 101 1HG1 ILE 6 29.288 23.892 30.398 1.00 0.00 H +ATOM 102 2HG1 ILE 6 27.780 22.970 30.060 1.00 0.00 H +ATOM 103 CD ILE 6 27.450 25.060 30.400 1.00 0.00 C +ATOM 104 HD1 ILE 6 26.412 25.030 30.798 1.00 0.00 H +ATOM 105 HD2 ILE 6 27.892 25.942 30.912 1.00 0.00 H +ATOM 106 HD3 ILE 6 27.320 25.170 29.302 1.00 0.00 H +ATOM 107 C ILE 6 29.050 21.530 33.780 1.00 0.00 C +ATOM 108 O ILE 6 28.030 21.550 34.480 1.00 0.00 O +ATOM 109 N ASN 7 30.270 21.360 34.360 1.00 0.00 N +ATOM 110 HN ASN 7 31.112 21.468 33.838 1.00 0.00 H +ATOM 111 CA ASN 7 30.420 21.560 35.810 1.00 0.00 C +ATOM 112 HA ASN 7 29.550 21.220 36.350 1.00 0.00 H +ATOM 113 CB ASN 7 31.540 20.630 36.320 1.00 0.00 C +ATOM 114 HB1 ASN 7 32.560 20.910 35.980 1.00 0.00 H +ATOM 115 HB2 ASN 7 31.620 20.580 37.428 1.00 0.00 H +ATOM 116 CG ASN 7 31.350 19.268 35.740 1.00 0.00 C +ATOM 117 OD1 ASN 7 32.140 18.830 34.860 1.00 0.00 O +ATOM 118 ND2 ASN 7 30.270 18.490 36.160 1.00 0.00 N +ATOM 119 1HD2 ASN 7 29.892 18.698 37.064 1.00 0.00 H +ATOM 120 2HD2 ASN 7 30.128 17.552 35.848 1.00 0.00 H +ATOM 121 C ASN 7 30.700 23.060 36.150 1.00 0.00 C +ATOM 122 O ASN 7 31.780 23.570 35.840 1.00 0.00 O +ATOM 123 N GLY 8 29.680 23.770 36.720 1.00 0.00 N +ATOM 124 HN GLY 8 28.830 23.310 36.960 1.00 0.00 H +ATOM 125 CA GLY 8 29.670 25.160 36.840 1.00 0.00 C +ATOM 126 HA1 GLY 8 29.890 25.530 35.850 1.00 0.00 H +ATOM 127 HA2 GLY 8 28.658 25.430 37.100 1.00 0.00 H +ATOM 128 C GLY 8 30.570 25.670 37.900 1.00 0.00 C +ATOM 129 O GLY 8 31.130 26.750 37.850 1.00 0.00 O +ATOM 130 N GLU 9 30.810 24.880 38.990 1.00 0.00 N +ATOM 131 HN GLU 9 30.538 23.924 38.890 1.00 0.00 H +ATOM 132 CA GLU 9 31.620 25.218 40.100 1.00 0.00 C +ATOM 133 HA GLU 9 31.372 26.226 40.408 1.00 0.00 H +ATOM 134 CB GLU 9 31.180 24.390 41.330 1.00 0.00 C +ATOM 135 HB1 GLU 9 31.458 24.986 42.226 1.00 0.00 H +ATOM 136 HB2 GLU 9 30.080 24.280 41.450 1.00 0.00 H +ATOM 137 CG GLU 9 31.800 22.900 41.330 1.00 0.00 C +ATOM 138 HG1 GLU 9 32.864 23.078 41.062 1.00 0.00 H +ATOM 139 HG2 GLU 9 31.870 22.588 42.394 1.00 0.00 H +ATOM 140 CD GLU 9 31.220 21.840 40.460 1.00 0.00 C +ATOM 141 OE1 GLU 9 30.920 22.160 39.270 1.00 0.00 O +ATOM 142 OE2 GLU 9 31.120 20.660 40.880 1.00 0.00 O +ATOM 143 C GLU 9 33.100 25.210 39.900 1.00 0.00 C +ATOM 144 O GLU 9 33.990 25.750 40.550 1.00 0.00 O +ATOM 145 N GLN 10 33.420 24.460 38.830 1.00 0.00 N +ATOM 146 HN GLN 10 32.706 23.856 38.488 1.00 0.00 H +ATOM 147 CA GLN 10 34.710 24.250 38.320 1.00 0.00 C +ATOM 148 HA GLN 10 35.450 24.480 39.072 1.00 0.00 H +ATOM 149 CB GLN 10 34.840 22.818 37.820 1.00 0.00 C +ATOM 150 HB1 GLN 10 34.086 22.508 37.066 1.00 0.00 H +ATOM 151 HB2 GLN 10 35.842 22.718 37.350 1.00 0.00 H +ATOM 152 CG GLN 10 34.730 21.810 39.010 1.00 0.00 C +ATOM 153 HG1 GLN 10 33.684 21.730 39.378 1.00 0.00 H +ATOM 154 HG2 GLN 10 35.030 20.828 38.588 1.00 0.00 H +ATOM 155 CD GLN 10 35.630 22.170 40.220 1.00 0.00 C +ATOM 156 OE1 GLN 10 35.110 22.340 41.310 1.00 0.00 O +ATOM 157 NE2 GLN 10 36.980 22.060 40.060 1.00 0.00 N +ATOM 158 1HE2 GLN 10 37.388 21.582 39.282 1.00 0.00 H +ATOM 159 2HE2 GLN 10 37.538 22.350 40.838 1.00 0.00 H +ATOM 160 C GLN 10 35.050 25.170 37.180 1.00 0.00 C +ATOM 161 O GLN 10 36.120 25.110 36.570 1.00 0.00 O +ATOM 162 N ILE 11 34.190 26.200 36.820 1.00 0.00 N +ATOM 163 HN ILE 11 33.396 26.230 37.422 1.00 0.00 H +ATOM 164 CA ILE 11 34.440 27.160 35.790 1.00 0.00 C +ATOM 165 HA ILE 11 34.870 26.590 34.980 1.00 0.00 H +ATOM 166 CB ILE 11 33.120 27.790 35.340 1.00 0.00 C +ATOM 167 HB ILE 11 32.566 27.910 36.296 1.00 0.00 H +ATOM 168 CG2 ILE 11 33.320 29.100 34.570 1.00 0.00 C +ATOM 169 1HG2 ILE 11 32.418 29.280 33.948 1.00 0.00 H +ATOM 170 2HG2 ILE 11 33.520 29.930 35.280 1.00 0.00 H +ATOM 171 3HG2 ILE 11 34.218 29.020 33.922 1.00 0.00 H +ATOM 172 CG1 ILE 11 32.310 26.820 34.550 1.00 0.00 C +ATOM 173 1HG1 ILE 11 32.070 25.890 35.110 1.00 0.00 H +ATOM 174 2HG1 ILE 11 31.330 27.290 34.320 1.00 0.00 H +ATOM 175 CD ILE 11 33.010 26.360 33.240 1.00 0.00 C +ATOM 176 HD1 ILE 11 33.864 25.656 33.340 1.00 0.00 H +ATOM 177 HD2 ILE 11 32.264 25.782 32.652 1.00 0.00 H +ATOM 178 HD3 ILE 11 33.340 27.290 32.730 1.00 0.00 H +ATOM 179 C ILE 11 35.470 28.160 36.230 1.00 0.00 C +ATOM 180 O ILE 11 35.360 28.810 37.300 1.00 0.00 O +ATOM 181 N ARG 12 36.540 28.370 35.420 1.00 0.00 N +ATOM 182 HN ARG 12 36.720 27.912 34.552 1.00 0.00 H +ATOM 183 CA ARG 12 37.620 29.280 35.810 1.00 0.00 C +ATOM 184 HA ARG 12 37.852 29.268 36.864 1.00 0.00 H +ATOM 185 CB ARG 12 38.900 28.680 35.220 1.00 0.00 C +ATOM 186 HB1 ARG 12 38.770 28.600 34.120 1.00 0.00 H +ATOM 187 HB2 ARG 12 39.724 29.404 35.398 1.00 0.00 H +ATOM 188 CG ARG 12 39.310 27.258 35.770 1.00 0.00 C +ATOM 189 HG1 ARG 12 39.220 27.258 36.876 1.00 0.00 H +ATOM 190 HG2 ARG 12 38.632 26.442 35.442 1.00 0.00 H +ATOM 191 CD ARG 12 40.840 26.980 35.280 1.00 0.00 C +ATOM 192 HD1 ARG 12 40.990 25.878 35.340 1.00 0.00 H +ATOM 193 HD2 ARG 12 40.960 27.160 34.190 1.00 0.00 H +ATOM 194 NE ARG 12 41.860 27.830 36.050 1.00 0.00 N +ATOM 195 HE ARG 12 41.540 28.530 36.690 1.00 0.00 H +ATOM 196 CZ ARG 12 43.160 27.660 35.860 1.00 0.00 C +ATOM 197 NH1 ARG 12 43.630 26.740 35.120 1.00 0.00 N +ATOM 198 1HH1 ARG 12 43.030 26.150 34.580 1.00 0.00 H +ATOM 199 2HH1 ARG 12 44.508 27.020 34.730 1.00 0.00 H +ATOM 200 NH2 ARG 12 43.970 28.508 36.480 1.00 0.00 N +ATOM 201 1HH2 ARG 12 43.590 29.252 37.032 1.00 0.00 H +ATOM 202 2HH2 ARG 12 44.960 28.440 36.360 1.00 0.00 H +ATOM 203 C ARG 12 37.490 30.710 35.360 1.00 0.00 C +ATOM 204 O ARG 12 38.080 31.590 35.990 1.00 0.00 O +ATOM 205 N SER 13 36.770 31.100 34.290 1.00 0.00 N +ATOM 206 HN SER 13 36.232 30.472 33.732 1.00 0.00 H +ATOM 207 CA SER 13 36.730 32.440 33.630 1.00 0.00 C +ATOM 208 HA SER 13 36.580 33.180 34.402 1.00 0.00 H +ATOM 209 CB SER 13 37.920 32.870 32.790 1.00 0.00 C +ATOM 210 HB1 SER 13 37.800 33.888 32.360 1.00 0.00 H +ATOM 211 HB2 SER 13 38.784 33.000 33.476 1.00 0.00 H +ATOM 212 OG SER 13 38.200 31.930 31.740 1.00 0.00 O +ATOM 213 HG1 SER 13 38.912 31.378 32.072 1.00 0.00 H +ATOM 214 C SER 13 35.590 32.350 32.710 1.00 0.00 C +ATOM 215 O SER 13 35.070 31.240 32.350 1.00 0.00 O +ATOM 216 N ILE 14 35.140 33.430 32.150 1.00 0.00 N +ATOM 217 HN ILE 14 35.558 34.308 32.370 1.00 0.00 H +ATOM 218 CA ILE 14 34.070 33.450 31.130 1.00 0.00 C +ATOM 219 HA ILE 14 33.308 32.798 31.532 1.00 0.00 H +ATOM 220 CB ILE 14 33.350 34.790 30.990 1.00 0.00 C +ATOM 221 HB ILE 14 33.080 35.100 32.022 1.00 0.00 H +ATOM 222 CG2 ILE 14 34.310 35.890 30.470 1.00 0.00 C +ATOM 223 1HG2 ILE 14 35.182 36.030 31.142 1.00 0.00 H +ATOM 224 2HG2 ILE 14 34.668 35.750 29.426 1.00 0.00 H +ATOM 225 3HG2 ILE 14 33.840 36.892 30.380 1.00 0.00 H +ATOM 226 CG1 ILE 14 32.040 34.810 30.210 1.00 0.00 C +ATOM 227 1HG1 ILE 14 31.514 35.784 30.310 1.00 0.00 H +ATOM 228 2HG1 ILE 14 32.308 34.900 29.136 1.00 0.00 H +ATOM 229 CD ILE 14 31.150 33.610 30.430 1.00 0.00 C +ATOM 230 HD1 ILE 14 30.920 33.590 31.518 1.00 0.00 H +ATOM 231 HD2 ILE 14 30.246 33.570 29.786 1.00 0.00 H +ATOM 232 HD3 ILE 14 31.680 32.700 30.080 1.00 0.00 H +ATOM 233 C ILE 14 34.510 32.810 29.790 1.00 0.00 C +ATOM 234 O ILE 14 33.880 32.110 28.990 1.00 0.00 O +ATOM 235 N SER 15 35.860 32.890 29.550 1.00 0.00 N +ATOM 236 HN SER 15 36.496 33.448 30.078 1.00 0.00 H +ATOM 237 CA SER 15 36.320 32.130 28.330 1.00 0.00 C +ATOM 238 HA SER 15 35.574 32.210 27.554 1.00 0.00 H +ATOM 239 CB SER 15 37.620 32.690 27.710 1.00 0.00 C +ATOM 240 HB1 SER 15 37.942 32.168 26.784 1.00 0.00 H +ATOM 241 HB2 SER 15 37.510 33.790 27.600 1.00 0.00 H +ATOM 242 OG SER 15 38.820 32.510 28.480 1.00 0.00 O +ATOM 243 HG1 SER 15 38.760 33.172 29.172 1.00 0.00 H +ATOM 244 C SER 15 36.520 30.730 28.530 1.00 0.00 C +ATOM 245 O SER 15 36.450 29.988 27.590 1.00 0.00 O +ATOM 246 N ASP 16 36.750 30.290 29.790 1.00 0.00 N +ATOM 247 HN ASP 16 36.992 31.004 30.444 1.00 0.00 H +ATOM 248 CA ASP 16 36.750 28.890 30.190 1.00 0.00 C +ATOM 249 HA ASP 16 37.480 28.390 29.570 1.00 0.00 H +ATOM 250 CB ASP 16 37.240 28.850 31.670 1.00 0.00 C +ATOM 251 HB1 ASP 16 38.188 29.426 31.680 1.00 0.00 H +ATOM 252 HB2 ASP 16 36.490 29.260 32.380 1.00 0.00 H +ATOM 253 CG ASP 16 37.420 27.390 32.080 1.00 0.00 C +ATOM 254 OD1 ASP 16 38.250 26.710 31.420 1.00 0.00 O +ATOM 255 OD2 ASP 16 36.720 26.950 33.030 1.00 0.00 O +ATOM 256 C ASP 16 35.370 28.210 30.020 1.00 0.00 C +ATOM 257 O ASP 16 35.300 27.060 29.480 1.00 0.00 O +ATOM 258 N LEU 17 34.310 28.990 30.230 1.00 0.00 N +ATOM 259 HN LEU 17 34.460 29.876 30.662 1.00 0.00 H +ATOM 260 CA LEU 17 32.950 28.560 29.890 1.00 0.00 C +ATOM 261 HA LEU 17 32.850 27.530 30.200 1.00 0.00 H +ATOM 262 CB LEU 17 31.970 29.580 30.530 1.00 0.00 C +ATOM 263 HB1 LEU 17 32.110 29.540 31.632 1.00 0.00 H +ATOM 264 HB2 LEU 17 32.160 30.546 30.012 1.00 0.00 H +ATOM 265 CG LEU 17 30.550 29.230 30.300 1.00 0.00 C +ATOM 266 HG LEU 17 30.200 29.398 29.260 1.00 0.00 H +ATOM 267 CD1 LEU 17 30.090 27.700 30.620 1.00 0.00 C +ATOM 268 1HD1 LEU 17 30.600 27.080 29.852 1.00 0.00 H +ATOM 269 2HD1 LEU 17 30.608 27.480 31.578 1.00 0.00 H +ATOM 270 3HD1 LEU 17 29.004 27.710 30.858 1.00 0.00 H +ATOM 271 CD2 LEU 17 29.880 30.270 31.190 1.00 0.00 C +ATOM 272 1HD2 LEU 17 30.340 30.360 32.198 1.00 0.00 H +ATOM 273 2HD2 LEU 17 29.880 31.268 30.702 1.00 0.00 H +ATOM 274 3HD2 LEU 17 28.846 29.868 31.230 1.00 0.00 H +ATOM 275 C LEU 17 32.740 28.520 28.360 1.00 0.00 C +ATOM 276 O LEU 17 32.240 27.510 27.870 1.00 0.00 O +ATOM 277 N HIS 18 33.320 29.490 27.580 1.00 0.00 N +ATOM 278 HN HIS 18 33.780 30.240 28.050 1.00 0.00 H +ATOM 279 CA HIS 18 33.310 29.420 26.120 1.00 0.00 C +ATOM 280 HA HIS 18 32.274 29.350 25.822 1.00 0.00 H +ATOM 281 CB HIS 18 33.810 30.740 25.480 1.00 0.00 C +ATOM 282 HB1 HIS 18 34.652 31.200 26.040 1.00 0.00 H +ATOM 283 HB2 HIS 18 34.108 30.630 24.416 1.00 0.00 H +ATOM 284 ND1 HIS 18 31.510 31.490 24.640 1.00 0.00 N +ATOM 285 HD1 HIS 18 31.150 30.668 24.200 1.00 0.00 H +ATOM 286 CG HIS 18 32.670 31.720 25.420 1.00 0.00 C +ATOM 287 CE1 HIS 18 30.670 32.600 24.820 1.00 0.00 C +ATOM 288 HE1 HIS 18 29.682 32.700 24.370 1.00 0.00 H +ATOM 289 NE2 HIS 18 31.200 33.430 25.720 1.00 0.00 N +ATOM 290 CD2 HIS 18 32.420 32.880 26.080 1.00 0.00 C +ATOM 291 HD2 HIS 18 33.006 33.358 26.856 1.00 0.00 H +ATOM 292 C HIS 18 34.050 28.148 25.530 1.00 0.00 C +ATOM 293 O HIS 18 33.430 27.380 24.800 1.00 0.00 O +ATOM 294 N GLN 19 35.320 27.870 26.020 1.00 0.00 N +ATOM 295 HN GLN 19 35.934 28.396 26.604 1.00 0.00 H +ATOM 296 CA GLN 19 36.080 26.740 25.680 1.00 0.00 C +ATOM 297 HA GLN 19 36.230 26.650 24.614 1.00 0.00 H +ATOM 298 CB GLN 19 37.410 27.028 26.270 1.00 0.00 C +ATOM 299 HB1 GLN 19 37.210 27.408 27.296 1.00 0.00 H +ATOM 300 HB2 GLN 19 38.070 26.140 26.350 1.00 0.00 H +ATOM 301 CG GLN 19 38.150 28.180 25.590 1.00 0.00 C +ATOM 302 HG1 GLN 19 38.518 27.722 24.646 1.00 0.00 H +ATOM 303 HG2 GLN 19 37.510 29.040 25.300 1.00 0.00 H +ATOM 304 CD GLN 19 39.400 28.620 26.270 1.00 0.00 C +ATOM 305 OE1 GLN 19 40.030 27.800 26.950 1.00 0.00 O +ATOM 306 NE2 GLN 19 39.770 29.890 26.030 1.00 0.00 N +ATOM 307 1HE2 GLN 19 39.148 30.412 25.448 1.00 0.00 H +ATOM 308 2HE2 GLN 19 40.522 30.330 26.520 1.00 0.00 H +ATOM 309 C GLN 19 35.500 25.370 26.140 1.00 0.00 C +ATOM 310 O GLN 19 35.560 24.330 25.510 1.00 0.00 O +ATOM 311 N THR 20 34.760 25.350 27.320 1.00 0.00 N +ATOM 312 HN THR 20 34.780 26.160 27.900 1.00 0.00 H +ATOM 313 CA THR 20 34.070 24.150 27.770 1.00 0.00 C +ATOM 314 HA THR 20 34.750 23.310 27.770 1.00 0.00 H +ATOM 315 CB THR 20 33.490 24.298 29.150 1.00 0.00 C +ATOM 316 HB THR 20 32.832 25.196 29.150 1.00 0.00 H +ATOM 317 OG1 THR 20 34.590 24.540 30.060 1.00 0.00 O +ATOM 318 HG1 THR 20 34.972 25.396 29.858 1.00 0.00 H +ATOM 319 CG2 THR 20 32.750 23.080 29.710 1.00 0.00 C +ATOM 320 1HG2 THR 20 32.640 23.160 30.814 1.00 0.00 H +ATOM 321 2HG2 THR 20 31.756 22.970 29.228 1.00 0.00 H +ATOM 322 3HG2 THR 20 33.312 22.148 29.490 1.00 0.00 H +ATOM 323 C THR 20 32.920 23.810 26.850 1.00 0.00 C +ATOM 324 O THR 20 32.730 22.710 26.390 1.00 0.00 O +ATOM 325 N LEU 21 32.150 24.880 26.430 1.00 0.00 N +ATOM 326 HN LEU 21 32.180 25.734 26.942 1.00 0.00 H +ATOM 327 CA LEU 21 31.000 24.758 25.510 1.00 0.00 C +ATOM 328 HA LEU 21 30.290 24.050 25.910 1.00 0.00 H +ATOM 329 CB LEU 21 30.300 26.108 25.410 1.00 0.00 C +ATOM 330 HB1 LEU 21 31.134 26.844 25.420 1.00 0.00 H +ATOM 331 HB2 LEU 21 29.722 26.150 24.462 1.00 0.00 H +ATOM 332 CG LEU 21 29.440 26.430 26.590 1.00 0.00 C +ATOM 333 HG LEU 21 30.022 26.290 27.524 1.00 0.00 H +ATOM 334 CD1 LEU 21 29.070 27.910 26.620 1.00 0.00 C +ATOM 335 1HD1 LEU 21 28.276 28.040 27.384 1.00 0.00 H +ATOM 336 2HD1 LEU 21 29.900 28.590 26.910 1.00 0.00 H +ATOM 337 3HD1 LEU 21 28.502 28.260 25.732 1.00 0.00 H +ATOM 338 CD2 LEU 21 28.180 25.560 26.550 1.00 0.00 C +ATOM 339 1HD2 LEU 21 28.510 24.612 27.028 1.00 0.00 H +ATOM 340 2HD2 LEU 21 27.392 26.098 27.118 1.00 0.00 H +ATOM 341 3HD2 LEU 21 27.890 25.400 25.490 1.00 0.00 H +ATOM 342 C LEU 21 31.500 24.210 24.100 1.00 0.00 C +ATOM 343 O LEU 21 30.820 23.490 23.380 1.00 0.00 O +ATOM 344 N LYS 22 32.630 24.758 23.580 1.00 0.00 N +ATOM 345 HN LYS 22 32.870 25.548 24.140 1.00 0.00 H +ATOM 346 CA LYS 22 33.360 24.470 22.400 1.00 0.00 C +ATOM 347 HA LYS 22 32.732 24.700 21.552 1.00 0.00 H +ATOM 348 CB LYS 22 34.680 25.350 22.370 1.00 0.00 C +ATOM 349 HB1 LYS 22 34.440 26.428 22.500 1.00 0.00 H +ATOM 350 HB2 LYS 22 35.300 25.020 23.230 1.00 0.00 H +ATOM 351 CG LYS 22 35.480 25.000 21.110 1.00 0.00 C +ATOM 352 HG1 LYS 22 35.882 23.966 21.140 1.00 0.00 H +ATOM 353 HG2 LYS 22 34.818 25.000 20.218 1.00 0.00 H +ATOM 354 CD LYS 22 36.700 25.970 20.910 1.00 0.00 C +ATOM 355 HD1 LYS 22 36.462 27.046 20.760 1.00 0.00 H +ATOM 356 HD2 LYS 22 37.200 25.940 21.902 1.00 0.00 H +ATOM 357 CE LYS 22 37.640 25.390 19.850 1.00 0.00 C +ATOM 358 HE1 LYS 22 38.000 24.402 20.210 1.00 0.00 H +ATOM 359 HE2 LYS 22 37.230 25.370 18.818 1.00 0.00 H +ATOM 360 NZ LYS 22 38.900 26.220 19.770 1.00 0.00 N +ATOM 361 HZ1 LYS 22 38.700 27.160 19.370 1.00 0.00 H +ATOM 362 HZ2 LYS 22 39.410 26.438 20.650 1.00 0.00 H +ATOM 363 HZ3 LYS 22 39.542 25.798 19.068 1.00 0.00 H +ATOM 364 C LYS 22 33.620 22.970 22.280 1.00 0.00 C +ATOM 365 O LYS 22 33.210 22.320 21.310 1.00 0.00 O +ATOM 366 N LYS 23 34.280 22.360 23.300 1.00 0.00 N +ATOM 367 HN LYS 23 34.568 22.916 24.076 1.00 0.00 H +ATOM 368 CA LYS 23 34.500 20.910 23.390 1.00 0.00 C +ATOM 369 HA LYS 23 34.952 20.640 22.448 1.00 0.00 H +ATOM 370 CB LYS 23 35.410 20.660 24.600 1.00 0.00 C +ATOM 371 HB1 LYS 23 36.362 21.152 24.310 1.00 0.00 H +ATOM 372 HB2 LYS 23 35.000 20.990 25.578 1.00 0.00 H +ATOM 373 CG LYS 23 35.720 19.120 24.710 1.00 0.00 C +ATOM 374 HG1 LYS 23 36.490 18.990 25.500 1.00 0.00 H +ATOM 375 HG2 LYS 23 34.768 18.640 25.020 1.00 0.00 H +ATOM 376 CD LYS 23 36.300 18.580 23.470 1.00 0.00 C +ATOM 377 HD1 LYS 23 35.598 18.450 22.618 1.00 0.00 H +ATOM 378 HD2 LYS 23 37.110 19.300 23.220 1.00 0.00 H +ATOM 379 CE LYS 23 37.000 17.250 23.740 1.00 0.00 C +ATOM 380 HE1 LYS 23 37.618 16.822 22.922 1.00 0.00 H +ATOM 381 HE2 LYS 23 37.630 17.410 24.640 1.00 0.00 H +ATOM 382 NZ LYS 23 36.060 16.160 23.960 1.00 0.00 N +ATOM 383 HZ1 LYS 23 35.390 16.010 23.180 1.00 0.00 H +ATOM 384 HZ2 LYS 23 36.540 15.250 24.110 1.00 0.00 H +ATOM 385 HZ3 LYS 23 35.480 16.390 24.792 1.00 0.00 H +ATOM 386 C LYS 23 33.210 20.100 23.490 1.00 0.00 C +ATOM 387 O LYS 23 33.010 19.120 22.760 1.00 0.00 O +ATOM 388 N GLU 24 32.260 20.470 24.450 1.00 0.00 N +ATOM 389 HN GLU 24 32.350 21.270 25.040 1.00 0.00 H +ATOM 390 CA GLU 24 31.060 19.660 24.610 1.00 0.00 C +ATOM 391 HA GLU 24 31.332 18.616 24.620 1.00 0.00 H +ATOM 392 CB GLU 24 30.470 20.080 26.060 1.00 0.00 C +ATOM 393 HB1 GLU 24 30.300 21.178 26.060 1.00 0.00 H +ATOM 394 HB2 GLU 24 29.462 19.622 26.160 1.00 0.00 H +ATOM 395 CG GLU 24 31.380 19.570 27.180 1.00 0.00 C +ATOM 396 HG1 GLU 24 32.442 19.760 26.920 1.00 0.00 H +ATOM 397 HG2 GLU 24 31.092 20.038 28.146 1.00 0.00 H +ATOM 398 CD GLU 24 31.250 18.060 27.440 1.00 0.00 C +ATOM 399 OE1 GLU 24 30.110 17.590 27.790 1.00 0.00 O +ATOM 400 OE2 GLU 24 32.280 17.400 27.160 1.00 0.00 O +ATOM 401 C GLU 24 30.010 19.750 23.490 1.00 0.00 C +ATOM 402 O GLU 24 29.450 18.840 22.890 1.00 0.00 O +ATOM 403 N LEU 25 29.680 20.960 22.920 1.00 0.00 N +ATOM 404 HN LEU 25 30.070 21.812 23.260 1.00 0.00 H +ATOM 405 CA LEU 25 28.690 21.140 21.840 1.00 0.00 C +ATOM 406 HA LEU 25 27.942 20.372 21.960 1.00 0.00 H +ATOM 407 CB LEU 25 27.930 22.500 21.880 1.00 0.00 C +ATOM 408 HB1 LEU 25 28.622 23.364 21.790 1.00 0.00 H +ATOM 409 HB2 LEU 25 27.292 22.550 20.972 1.00 0.00 H +ATOM 410 CG LEU 25 27.080 22.810 23.180 1.00 0.00 C +ATOM 411 HG LEU 25 27.668 22.588 24.098 1.00 0.00 H +ATOM 412 CD1 LEU 25 26.620 24.280 23.200 1.00 0.00 C +ATOM 413 1HD1 LEU 25 26.132 24.420 24.188 1.00 0.00 H +ATOM 414 2HD1 LEU 25 27.548 24.888 23.130 1.00 0.00 H +ATOM 415 3HD1 LEU 25 26.030 24.610 22.320 1.00 0.00 H +ATOM 416 CD2 LEU 25 25.780 21.960 23.190 1.00 0.00 C +ATOM 417 1HD2 LEU 25 25.052 22.480 23.848 1.00 0.00 H +ATOM 418 2HD2 LEU 25 25.340 21.830 22.178 1.00 0.00 H +ATOM 419 3HD2 LEU 25 25.910 20.972 23.680 1.00 0.00 H +ATOM 420 C LEU 25 29.310 21.008 20.480 1.00 0.00 C +ATOM 421 O LEU 25 28.600 21.210 19.470 1.00 0.00 O +ATOM 422 N ALA 26 30.660 20.690 20.340 1.00 0.00 N +ATOM 423 HN ALA 26 31.252 20.870 21.122 1.00 0.00 H +ATOM 424 CA ALA 26 31.250 20.130 19.190 1.00 0.00 C +ATOM 425 HA ALA 26 32.234 19.778 19.462 1.00 0.00 H +ATOM 426 CB ALA 26 30.480 18.890 18.630 1.00 0.00 C +ATOM 427 HB1 ALA 26 31.040 18.530 17.740 1.00 0.00 H +ATOM 428 HB2 ALA 26 30.430 17.998 19.292 1.00 0.00 H +ATOM 429 HB3 ALA 26 29.440 19.138 18.330 1.00 0.00 H +ATOM 430 C ALA 26 31.440 21.260 18.160 1.00 0.00 C +ATOM 431 O ALA 26 31.550 21.008 16.930 1.00 0.00 O +ATOM 432 N LEU 27 31.430 22.540 18.640 1.00 0.00 N +ATOM 433 HN LEU 27 31.430 22.500 19.636 1.00 0.00 H +ATOM 434 CA LEU 27 31.630 23.780 17.960 1.00 0.00 C +ATOM 435 HA LEU 27 30.632 24.020 17.620 1.00 0.00 H +ATOM 436 CB LEU 27 31.660 24.858 19.020 1.00 0.00 C +ATOM 437 HB1 LEU 27 32.630 24.870 19.560 1.00 0.00 H +ATOM 438 HB2 LEU 27 31.640 25.886 18.592 1.00 0.00 H +ATOM 439 CG LEU 27 30.480 24.910 20.060 1.00 0.00 C +ATOM 440 HG LEU 27 30.590 23.940 20.590 1.00 0.00 H +ATOM 441 CD1 LEU 27 30.520 26.130 21.000 1.00 0.00 C +ATOM 442 1HD1 LEU 27 31.420 26.108 21.650 1.00 0.00 H +ATOM 443 2HD1 LEU 27 30.410 27.060 20.400 1.00 0.00 H +ATOM 444 3HD1 LEU 27 29.740 26.120 21.790 1.00 0.00 H +ATOM 445 CD2 LEU 27 29.130 24.950 19.280 1.00 0.00 C +ATOM 446 1HD2 LEU 27 28.392 25.458 19.938 1.00 0.00 H +ATOM 447 2HD2 LEU 27 29.190 25.462 18.296 1.00 0.00 H +ATOM 448 3HD2 LEU 27 28.780 23.908 19.120 1.00 0.00 H +ATOM 449 C LEU 27 32.750 23.870 16.930 1.00 0.00 C +ATOM 450 O LEU 27 33.730 23.100 17.050 1.00 0.00 O +ATOM 451 N PRO 28 32.800 24.640 15.900 1.00 0.00 N +ATOM 452 CD PRO 28 31.720 25.648 15.650 1.00 0.00 C +ATOM 453 HD1 PRO 28 31.760 26.502 16.362 1.00 0.00 H +ATOM 454 HD2 PRO 28 30.704 25.212 15.750 1.00 0.00 H +ATOM 455 CA PRO 28 34.040 25.060 15.170 1.00 0.00 C +ATOM 456 HA PRO 28 34.220 24.348 14.378 1.00 0.00 H +ATOM 457 CB PRO 28 33.610 26.330 14.420 1.00 0.00 C +ATOM 458 HB1 PRO 28 33.830 27.210 15.060 1.00 0.00 H +ATOM 459 HB2 PRO 28 34.120 26.500 13.448 1.00 0.00 H +ATOM 460 CG PRO 28 32.060 26.210 14.290 1.00 0.00 C +ATOM 461 HG1 PRO 28 31.560 27.190 14.130 1.00 0.00 H +ATOM 462 HG2 PRO 28 31.860 25.422 13.532 1.00 0.00 H +ATOM 463 C PRO 28 35.350 25.240 16.010 1.00 0.00 C +ATOM 464 O PRO 28 35.360 25.770 17.150 1.00 0.00 O +ATOM 465 N GLU 29 36.450 24.988 15.310 1.00 0.00 N +ATOM 466 HN GLU 29 36.490 24.502 14.442 1.00 0.00 H +ATOM 467 CA GLU 29 37.750 25.310 15.850 1.00 0.00 C +ATOM 468 HA GLU 29 37.810 25.060 16.900 1.00 0.00 H +ATOM 469 CB GLU 29 38.860 24.570 15.060 1.00 0.00 C +ATOM 470 HB1 GLU 29 38.620 23.490 15.160 1.00 0.00 H +ATOM 471 HB2 GLU 29 38.780 24.820 13.980 1.00 0.00 H +ATOM 472 CG GLU 29 40.330 24.820 15.590 1.00 0.00 C +ATOM 473 HG1 GLU 29 40.808 24.014 14.992 1.00 0.00 H +ATOM 474 HG2 GLU 29 40.860 25.770 15.370 1.00 0.00 H +ATOM 475 CD GLU 29 40.520 24.450 17.010 1.00 0.00 C +ATOM 476 OE1 GLU 29 40.680 23.290 17.300 1.00 0.00 O +ATOM 477 OE2 GLU 29 40.530 25.380 17.870 1.00 0.00 O +ATOM 478 C GLU 29 38.000 26.840 15.690 1.00 0.00 C +ATOM 479 O GLU 29 38.770 27.470 16.370 1.00 0.00 O +ATOM 480 N TYR 30 37.260 27.488 14.850 1.00 0.00 N +ATOM 481 HN TYR 30 36.560 27.070 14.280 1.00 0.00 H +ATOM 482 CA TYR 30 37.460 28.920 14.560 1.00 0.00 C +ATOM 483 HA TYR 30 38.480 29.240 14.710 1.00 0.00 H +ATOM 484 CB TYR 30 37.110 29.320 13.070 1.00 0.00 C +ATOM 485 HB1 TYR 30 37.330 30.378 12.810 1.00 0.00 H +ATOM 486 HB2 TYR 30 37.838 28.692 12.512 1.00 0.00 H +ATOM 487 CG TYR 30 35.680 28.960 12.610 1.00 0.00 C +ATOM 488 CD1 TYR 30 34.500 29.590 13.130 1.00 0.00 C +ATOM 489 HD1 TYR 30 34.580 30.372 13.872 1.00 0.00 H +ATOM 490 CE1 TYR 30 33.230 29.240 12.610 1.00 0.00 C +ATOM 491 HE1 TYR 30 32.318 29.722 12.930 1.00 0.00 H +ATOM 492 CZ TYR 30 33.150 28.370 11.480 1.00 0.00 C +ATOM 493 OH TYR 30 31.910 28.010 10.950 1.00 0.00 O +ATOM 494 HH TYR 30 31.174 28.398 11.428 1.00 0.00 H +ATOM 495 CD2 TYR 30 35.530 28.130 11.530 1.00 0.00 C +ATOM 496 HD2 TYR 30 36.412 27.670 11.110 1.00 0.00 H +ATOM 497 CE2 TYR 30 34.290 27.930 10.930 1.00 0.00 C +ATOM 498 HE2 TYR 30 34.240 27.408 9.986 1.00 0.00 H +ATOM 499 C TYR 30 36.700 29.770 15.530 1.00 0.00 C +ATOM 500 O TYR 30 36.700 30.980 15.410 1.00 0.00 O +ATOM 501 N TYR 31 35.950 29.010 16.440 1.00 0.00 N +ATOM 502 HN TYR 31 35.980 28.014 16.480 1.00 0.00 H +ATOM 503 CA TYR 31 34.820 29.620 17.190 1.00 0.00 C +ATOM 504 HA TYR 31 34.050 29.858 16.470 1.00 0.00 H +ATOM 505 CB TYR 31 34.180 28.550 18.080 1.00 0.00 C +ATOM 506 HB1 TYR 31 33.510 27.846 17.540 1.00 0.00 H +ATOM 507 HB2 TYR 31 34.992 27.818 18.280 1.00 0.00 H +ATOM 508 CG TYR 31 33.300 28.950 19.220 1.00 0.00 C +ATOM 509 CD1 TYR 31 32.050 29.510 18.940 1.00 0.00 C +ATOM 510 HD1 TYR 31 31.700 29.650 17.928 1.00 0.00 H +ATOM 511 CE1 TYR 31 31.120 29.810 20.030 1.00 0.00 C +ATOM 512 HE1 TYR 31 30.126 30.212 19.910 1.00 0.00 H +ATOM 513 CZ TYR 31 31.440 29.410 21.330 1.00 0.00 C +ATOM 514 OH TYR 31 30.470 29.720 22.400 1.00 0.00 O +ATOM 515 HH TYR 31 29.664 30.008 21.962 1.00 0.00 H +ATOM 516 CD2 TYR 31 33.630 28.620 20.530 1.00 0.00 C +ATOM 517 HD2 TYR 31 34.610 28.260 20.810 1.00 0.00 H +ATOM 518 CE2 TYR 31 32.680 28.910 21.620 1.00 0.00 C +ATOM 519 HE2 TYR 31 32.908 28.652 22.644 1.00 0.00 H +ATOM 520 C TYR 31 35.230 30.860 17.930 1.00 0.00 C +ATOM 521 O TYR 31 36.320 30.860 18.620 1.00 0.00 O +ATOM 522 N GLY 32 34.450 32.010 17.910 1.00 0.00 N +ATOM 523 HN GLY 32 33.608 32.020 17.378 1.00 0.00 H +ATOM 524 CA GLY 32 34.790 33.290 18.460 1.00 0.00 C +ATOM 525 HA1 GLY 32 35.736 33.588 18.032 1.00 0.00 H +ATOM 526 HA2 GLY 32 33.938 33.892 18.180 1.00 0.00 H +ATOM 527 C GLY 32 34.990 33.420 20.000 1.00 0.00 C +ATOM 528 O GLY 32 35.790 34.280 20.450 1.00 0.00 O +ATOM 529 N GLU 33 34.240 32.620 20.840 1.00 0.00 N +ATOM 530 HN GLU 33 33.692 31.912 20.402 1.00 0.00 H +ATOM 531 CA GLU 33 34.310 32.610 22.290 1.00 0.00 C +ATOM 532 HA GLU 33 33.660 31.850 22.700 1.00 0.00 H +ATOM 533 CB GLU 33 35.690 32.360 22.830 1.00 0.00 C +ATOM 534 HB1 GLU 33 36.412 33.092 22.408 1.00 0.00 H +ATOM 535 HB2 GLU 33 35.790 32.400 23.936 1.00 0.00 H +ATOM 536 CG GLU 33 36.130 30.910 22.420 1.00 0.00 C +ATOM 537 HG1 GLU 33 35.370 30.190 22.790 1.00 0.00 H +ATOM 538 HG2 GLU 33 36.170 30.850 21.312 1.00 0.00 H +ATOM 539 CD GLU 33 37.550 30.550 22.900 1.00 0.00 C +ATOM 540 OE1 GLU 33 38.040 31.070 23.920 1.00 0.00 O +ATOM 541 OE2 GLU 33 38.210 29.728 22.190 1.00 0.00 O +ATOM 542 C GLU 33 33.560 33.780 22.890 1.00 0.00 C +ATOM 543 O GLU 33 34.140 34.460 23.760 1.00 0.00 O +ATOM 544 N ASN 34 32.330 34.100 22.450 1.00 0.00 N +ATOM 545 HN ASN 34 31.972 33.472 21.762 1.00 0.00 H +ATOM 546 CA ASN 34 31.590 35.260 22.870 1.00 0.00 C +ATOM 547 HA ASN 34 31.490 35.310 23.944 1.00 0.00 H +ATOM 548 CB ASN 34 32.000 36.590 22.160 1.00 0.00 C +ATOM 549 HB1 ASN 34 31.248 37.382 22.360 1.00 0.00 H +ATOM 550 HB2 ASN 34 32.978 36.920 22.570 1.00 0.00 H +ATOM 551 CG ASN 34 32.090 36.440 20.650 1.00 0.00 C +ATOM 552 OD1 ASN 34 31.190 36.210 19.920 1.00 0.00 O +ATOM 553 ND2 ASN 34 33.340 36.600 20.130 1.00 0.00 N +ATOM 554 1HD2 ASN 34 34.118 36.970 20.638 1.00 0.00 H +ATOM 555 2HD2 ASN 34 33.430 36.580 19.134 1.00 0.00 H +ATOM 556 C ASN 34 30.150 34.890 22.550 1.00 0.00 C +ATOM 557 O ASN 34 29.830 33.830 21.970 1.00 0.00 O +ATOM 558 N LEU 35 29.270 35.740 23.120 1.00 0.00 N +ATOM 559 HN LEU 35 29.580 36.502 23.682 1.00 0.00 H +ATOM 560 CA LEU 35 27.870 35.550 22.930 1.00 0.00 C +ATOM 561 HA LEU 35 27.538 34.626 23.382 1.00 0.00 H +ATOM 562 CB LEU 35 26.980 36.610 23.570 1.00 0.00 C +ATOM 563 HB1 LEU 35 27.150 37.630 23.170 1.00 0.00 H +ATOM 564 HB2 LEU 35 25.942 36.280 23.350 1.00 0.00 H +ATOM 565 CG LEU 35 27.060 36.850 25.050 1.00 0.00 C +ATOM 566 HG LEU 35 28.010 37.410 25.190 1.00 0.00 H +ATOM 567 CD1 LEU 35 25.960 37.848 25.470 1.00 0.00 C +ATOM 568 1HD1 LEU 35 26.060 38.656 24.712 1.00 0.00 H +ATOM 569 2HD1 LEU 35 25.024 37.256 25.420 1.00 0.00 H +ATOM 570 3HD1 LEU 35 26.178 38.396 26.414 1.00 0.00 H +ATOM 571 CD2 LEU 35 26.960 35.600 25.880 1.00 0.00 C +ATOM 572 1HD2 LEU 35 25.992 35.062 25.780 1.00 0.00 H +ATOM 573 2HD2 LEU 35 27.648 34.814 25.502 1.00 0.00 H +ATOM 574 3HD2 LEU 35 27.160 35.810 26.952 1.00 0.00 H +ATOM 575 C LEU 35 27.430 35.550 21.460 1.00 0.00 C +ATOM 576 O LEU 35 26.600 34.690 21.140 1.00 0.00 O +ATOM 577 N ASP 36 27.910 36.470 20.580 1.00 0.00 N +ATOM 578 HN ASP 36 28.610 37.100 20.910 1.00 0.00 H +ATOM 579 CA ASP 36 27.440 36.560 19.210 1.00 0.00 C +ATOM 580 HA ASP 36 26.360 36.560 19.230 1.00 0.00 H +ATOM 581 CB ASP 36 27.990 37.870 18.510 1.00 0.00 C +ATOM 582 HB1 ASP 36 29.100 37.840 18.480 1.00 0.00 H +ATOM 583 HB2 ASP 36 27.510 37.910 17.510 1.00 0.00 H +ATOM 584 CG ASP 36 27.490 39.098 19.260 1.00 0.00 C +ATOM 585 OD1 ASP 36 26.280 39.130 19.650 1.00 0.00 O +ATOM 586 OD2 ASP 36 28.280 40.088 19.400 1.00 0.00 O +ATOM 587 C ASP 36 27.830 35.340 18.360 1.00 0.00 C +ATOM 588 O ASP 36 26.960 34.860 17.600 1.00 0.00 O +ATOM 589 N ALA 37 29.030 34.780 18.630 1.00 0.00 N +ATOM 590 HN ALA 37 29.470 35.280 19.370 1.00 0.00 H +ATOM 591 CA ALA 37 29.450 33.520 18.190 1.00 0.00 C +ATOM 592 HA ALA 37 29.410 33.620 17.114 1.00 0.00 H +ATOM 593 CB ALA 37 30.940 33.240 18.600 1.00 0.00 C +ATOM 594 HB1 ALA 37 31.250 32.222 18.280 1.00 0.00 H +ATOM 595 HB2 ALA 37 31.668 33.988 18.220 1.00 0.00 H +ATOM 596 HB3 ALA 37 30.930 33.350 19.706 1.00 0.00 H +ATOM 597 C ALA 37 28.550 32.320 18.550 1.00 0.00 C +ATOM 598 O ALA 37 28.190 31.420 17.800 1.00 0.00 O +ATOM 599 N LEU 38 28.100 32.320 19.840 1.00 0.00 N +ATOM 600 HN LEU 38 28.400 33.072 20.422 1.00 0.00 H +ATOM 601 CA LEU 38 27.440 31.180 20.300 1.00 0.00 C +ATOM 602 HA LEU 38 27.974 30.294 19.988 1.00 0.00 H +ATOM 603 CB LEU 38 27.460 31.310 21.820 1.00 0.00 C +ATOM 604 HB1 LEU 38 28.478 31.380 22.260 1.00 0.00 H +ATOM 605 HB2 LEU 38 26.980 32.282 22.060 1.00 0.00 H +ATOM 606 CG LEU 38 26.670 30.280 22.670 1.00 0.00 C +ATOM 607 HG LEU 38 25.612 30.420 22.360 1.00 0.00 H +ATOM 608 CD1 LEU 38 27.160 28.920 22.390 1.00 0.00 C +ATOM 609 1HD1 LEU 38 26.368 28.218 22.730 1.00 0.00 H +ATOM 610 2HD1 LEU 38 27.360 28.738 21.312 1.00 0.00 H +ATOM 611 3HD1 LEU 38 28.080 28.720 22.980 1.00 0.00 H +ATOM 612 CD2 LEU 38 26.800 30.600 24.140 1.00 0.00 C +ATOM 613 1HD2 LEU 38 26.020 30.030 24.690 1.00 0.00 H +ATOM 614 2HD2 LEU 38 27.824 30.342 24.488 1.00 0.00 H +ATOM 615 3HD2 LEU 38 26.660 31.698 24.240 1.00 0.00 H +ATOM 616 C LEU 38 26.010 31.200 19.800 1.00 0.00 C +ATOM 617 O LEU 38 25.420 30.150 19.480 1.00 0.00 O +ATOM 618 N TRP 39 25.390 32.400 19.610 1.00 0.00 N +ATOM 619 HN TRP 39 25.802 33.204 20.032 1.00 0.00 H +ATOM 620 CA TRP 39 24.140 32.520 18.800 1.00 0.00 C +ATOM 621 HA TRP 39 23.398 31.918 19.302 1.00 0.00 H +ATOM 622 CB TRP 39 23.570 33.910 18.900 1.00 0.00 C +ATOM 623 HB1 TRP 39 23.410 34.070 19.988 1.00 0.00 H +ATOM 624 HB2 TRP 39 24.438 34.530 18.590 1.00 0.00 H +ATOM 625 CG TRP 39 22.360 34.210 18.190 1.00 0.00 C +ATOM 626 CD1 TRP 39 22.290 34.740 16.950 1.00 0.00 C +ATOM 627 HD1 TRP 39 23.156 35.028 16.372 1.00 0.00 H +ATOM 628 NE1 TRP 39 21.020 34.700 16.480 1.00 0.00 N +ATOM 629 HE1 TRP 39 20.652 35.238 15.754 1.00 0.00 H +ATOM 630 CE2 TRP 39 20.270 34.090 17.410 1.00 0.00 C +ATOM 631 CD2 TRP 39 21.060 33.840 18.530 1.00 0.00 C +ATOM 632 CE3 TRP 39 20.450 33.240 19.700 1.00 0.00 C +ATOM 633 HE3 TRP 39 20.954 33.110 20.646 1.00 0.00 H +ATOM 634 CZ3 TRP 39 19.100 32.910 19.590 1.00 0.00 C +ATOM 635 HZ3 TRP 39 18.530 32.590 20.450 1.00 0.00 H +ATOM 636 CZ2 TRP 39 18.930 33.890 17.380 1.00 0.00 C +ATOM 637 HZ2 TRP 39 18.356 34.242 16.536 1.00 0.00 H +ATOM 638 CH2 TRP 39 18.390 33.200 18.440 1.00 0.00 C +ATOM 639 HH2 TRP 39 17.324 33.020 18.450 1.00 0.00 H +ATOM 640 C TRP 39 24.240 32.080 17.420 1.00 0.00 C +ATOM 641 O TRP 39 23.420 31.250 17.030 1.00 0.00 O +ATOM 642 N ASP 40 25.350 32.380 16.750 1.00 0.00 N +ATOM 643 HN ASP 40 26.086 32.898 17.178 1.00 0.00 H +ATOM 644 CA ASP 40 25.700 31.940 15.370 1.00 0.00 C +ATOM 645 HA ASP 40 24.978 32.482 14.778 1.00 0.00 H +ATOM 646 CB ASP 40 27.040 32.640 14.990 1.00 0.00 C +ATOM 647 HB1 ASP 40 27.130 33.706 15.288 1.00 0.00 H +ATOM 648 HB2 ASP 40 27.854 32.044 15.456 1.00 0.00 H +ATOM 649 CG ASP 40 27.390 32.520 13.450 1.00 0.00 C +ATOM 650 OD1 ASP 40 26.470 32.250 12.680 1.00 0.00 O +ATOM 651 OD2 ASP 40 28.590 32.680 13.070 1.00 0.00 O +ATOM 652 C ASP 40 25.700 30.370 15.310 1.00 0.00 C +ATOM 653 O ASP 40 25.080 29.820 14.400 1.00 0.00 O +ATOM 654 N CYS 41 26.420 29.720 16.300 1.00 0.00 N +ATOM 655 HN CYS 41 26.920 30.330 16.910 1.00 0.00 H +ATOM 656 CA CYS 41 26.520 28.260 16.490 1.00 0.00 C +ATOM 657 HA CYS 41 26.780 27.800 15.548 1.00 0.00 H +ATOM 658 CB CYS 41 27.630 28.148 17.510 1.00 0.00 C +ATOM 659 HB1 CYS 41 27.288 28.694 18.416 1.00 0.00 H +ATOM 660 HB2 CYS 41 27.760 27.094 17.830 1.00 0.00 H +ATOM 661 SG CYS 41 29.350 28.700 17.050 1.00 0.00 S +ATOM 662 HG1 CYS 41 28.868 29.894 16.738 1.00 0.00 H +ATOM 663 C CYS 41 25.290 27.480 16.850 1.00 0.00 C +ATOM 664 O CYS 41 25.090 26.468 16.230 1.00 0.00 O +ATOM 665 N LEU 42 24.410 27.970 17.780 1.00 0.00 N +ATOM 666 HN LEU 42 24.598 28.814 18.276 1.00 0.00 H +ATOM 667 CA LEU 42 23.100 27.400 17.940 1.00 0.00 C +ATOM 668 HA LEU 42 23.372 26.374 18.142 1.00 0.00 H +ATOM 669 CB LEU 42 22.330 28.080 19.090 1.00 0.00 C +ATOM 670 HB1 LEU 42 22.390 29.178 18.930 1.00 0.00 H +ATOM 671 HB2 LEU 42 21.276 27.738 19.180 1.00 0.00 H +ATOM 672 CG LEU 42 22.930 27.890 20.510 1.00 0.00 C +ATOM 673 HG LEU 42 23.970 28.278 20.530 1.00 0.00 H +ATOM 674 CD1 LEU 42 22.160 28.680 21.550 1.00 0.00 C +ATOM 675 1HD1 LEU 42 22.766 28.690 22.482 1.00 0.00 H +ATOM 676 2HD1 LEU 42 22.140 29.752 21.260 1.00 0.00 H +ATOM 677 3HD1 LEU 42 21.174 28.232 21.798 1.00 0.00 H +ATOM 678 CD2 LEU 42 22.940 26.438 20.870 1.00 0.00 C +ATOM 679 1HD2 LEU 42 21.950 25.940 20.920 1.00 0.00 H +ATOM 680 2HD2 LEU 42 23.440 25.960 20.002 1.00 0.00 H +ATOM 681 3HD2 LEU 42 23.608 26.172 21.716 1.00 0.00 H +ATOM 682 C LEU 42 22.250 27.550 16.650 1.00 0.00 C +ATOM 683 O LEU 42 21.460 26.660 16.310 1.00 0.00 O +ATOM 684 N ALA 43 22.270 28.738 15.900 1.00 0.00 N +ATOM 685 HN ALA 43 22.928 29.456 16.120 1.00 0.00 H +ATOM 686 CA ALA 43 21.420 28.880 14.710 1.00 0.00 C +ATOM 687 HA ALA 43 20.496 28.384 14.968 1.00 0.00 H +ATOM 688 CB ALA 43 21.140 30.400 14.450 1.00 0.00 C +ATOM 689 HB1 ALA 43 22.060 30.950 14.160 1.00 0.00 H +ATOM 690 HB2 ALA 43 20.364 30.390 13.654 1.00 0.00 H +ATOM 691 HB3 ALA 43 20.700 30.840 15.370 1.00 0.00 H +ATOM 692 C ALA 43 21.860 28.200 13.430 1.00 0.00 C +ATOM 693 O ALA 43 21.120 27.890 12.520 1.00 0.00 O +ATOM 694 N GLY 44 23.160 27.870 13.310 1.00 0.00 N +ATOM 695 HN GLY 44 23.902 28.080 13.942 1.00 0.00 H +ATOM 696 CA GLY 44 23.640 27.170 12.120 1.00 0.00 C +ATOM 697 HA1 GLY 44 22.918 26.424 11.818 1.00 0.00 H +ATOM 698 HA2 GLY 44 23.640 27.918 11.342 1.00 0.00 H +ATOM 699 C GLY 44 24.870 26.400 12.280 1.00 0.00 C +ATOM 700 O GLY 44 25.840 26.710 11.570 1.00 0.00 O +ATOM 701 N TRP 45 24.960 25.390 13.110 1.00 0.00 N +ATOM 702 HN TRP 45 24.136 25.118 13.602 1.00 0.00 H +ATOM 703 CA TRP 45 26.140 24.520 13.170 1.00 0.00 C +ATOM 704 HA TRP 45 26.450 24.230 12.178 1.00 0.00 H +ATOM 705 CB TRP 45 27.330 25.230 13.840 1.00 0.00 C +ATOM 706 HB1 TRP 45 27.760 25.988 13.152 1.00 0.00 H +ATOM 707 HB2 TRP 45 26.928 25.702 14.762 1.00 0.00 H +ATOM 708 CG TRP 45 28.540 24.360 14.200 1.00 0.00 C +ATOM 709 CD1 TRP 45 28.820 23.660 15.340 1.00 0.00 C +ATOM 710 HD1 TRP 45 28.470 23.810 16.350 1.00 0.00 H +ATOM 711 NE1 TRP 45 29.800 22.670 15.030 1.00 0.00 N +ATOM 712 HE1 TRP 45 30.374 22.128 15.604 1.00 0.00 H +ATOM 713 CE2 TRP 45 30.320 22.870 13.780 1.00 0.00 C +ATOM 714 CD2 TRP 45 29.500 23.920 13.170 1.00 0.00 C +ATOM 715 CE3 TRP 45 29.850 24.430 11.880 1.00 0.00 C +ATOM 716 HE3 TRP 45 29.350 25.310 11.500 1.00 0.00 H +ATOM 717 CZ3 TRP 45 31.000 23.950 11.260 1.00 0.00 C +ATOM 718 HZ3 TRP 45 31.370 24.340 10.322 1.00 0.00 H +ATOM 719 CZ2 TRP 45 31.290 22.270 13.040 1.00 0.00 C +ATOM 720 HZ2 TRP 45 31.770 21.380 13.420 1.00 0.00 H +ATOM 721 CH2 TRP 45 31.630 22.790 11.730 1.00 0.00 C +ATOM 722 HH2 TRP 45 32.532 22.510 11.208 1.00 0.00 H +ATOM 723 C TRP 45 25.820 23.240 13.900 1.00 0.00 C +ATOM 724 O TRP 45 25.980 22.190 13.290 1.00 0.00 O +ATOM 725 N VAL 46 25.290 23.350 15.220 1.00 0.00 N +ATOM 726 HN VAL 46 24.992 24.246 15.538 1.00 0.00 H +ATOM 727 CA VAL 46 25.070 22.250 16.150 1.00 0.00 C +ATOM 728 HA VAL 46 25.986 21.682 16.080 1.00 0.00 H +ATOM 729 CB VAL 46 24.810 22.800 17.590 1.00 0.00 C +ATOM 730 HB VAL 46 24.590 21.898 18.200 1.00 0.00 H +ATOM 731 CG1 VAL 46 26.050 23.490 18.060 1.00 0.00 C +ATOM 732 1HG1 VAL 46 26.850 22.740 18.230 1.00 0.00 H +ATOM 733 2HG1 VAL 46 26.228 24.276 17.294 1.00 0.00 H +ATOM 734 3HG1 VAL 46 25.920 23.980 19.048 1.00 0.00 H +ATOM 735 CG2 VAL 46 23.510 23.600 17.550 1.00 0.00 C +ATOM 736 1HG2 VAL 46 22.670 23.000 17.140 1.00 0.00 H +ATOM 737 2HG2 VAL 46 23.260 23.930 18.580 1.00 0.00 H +ATOM 738 3HG2 VAL 46 23.790 24.450 16.890 1.00 0.00 H +ATOM 739 C VAL 46 24.100 21.100 15.680 1.00 0.00 C +ATOM 740 O VAL 46 23.150 21.350 14.970 1.00 0.00 O +ATOM 741 N GLU 47 24.310 19.910 16.200 1.00 0.00 N +ATOM 742 HN GLU 47 25.014 19.738 16.884 1.00 0.00 H +ATOM 743 CA GLU 47 23.310 18.890 16.030 1.00 0.00 C +ATOM 744 HA GLU 47 22.922 19.040 15.034 1.00 0.00 H +ATOM 745 CB GLU 47 23.930 17.460 16.160 1.00 0.00 C +ATOM 746 HB1 GLU 47 24.602 17.390 15.278 1.00 0.00 H +ATOM 747 HB2 GLU 47 24.644 17.586 17.002 1.00 0.00 H +ATOM 748 CG GLU 47 23.050 16.330 16.430 1.00 0.00 C +ATOM 749 HG1 GLU 47 22.482 16.370 17.386 1.00 0.00 H +ATOM 750 HG2 GLU 47 22.258 16.170 15.668 1.00 0.00 H +ATOM 751 CD GLU 47 23.740 14.970 16.380 1.00 0.00 C +ATOM 752 OE1 GLU 47 24.510 14.780 15.420 1.00 0.00 O +ATOM 753 OE2 GLU 47 23.540 14.040 17.240 1.00 0.00 O +ATOM 754 C GLU 47 22.100 19.040 16.970 1.00 0.00 C +ATOM 755 O GLU 47 22.340 19.440 18.170 1.00 0.00 O +ATOM 756 N TYR 48 20.890 18.760 16.470 1.00 0.00 N +ATOM 757 HN TYR 48 20.710 18.460 15.538 1.00 0.00 H +ATOM 758 CA TYR 48 19.680 18.870 17.280 1.00 0.00 C +ATOM 759 HA TYR 48 19.860 19.158 18.306 1.00 0.00 H +ATOM 760 CB TYR 48 18.660 19.900 16.640 1.00 0.00 C +ATOM 761 HB1 TYR 48 18.620 19.750 15.540 1.00 0.00 H +ATOM 762 HB2 TYR 48 17.600 19.820 16.960 1.00 0.00 H +ATOM 763 CG TYR 48 19.090 21.330 17.080 1.00 0.00 C +ATOM 764 CD1 TYR 48 19.280 21.660 18.410 1.00 0.00 C +ATOM 765 HD1 TYR 48 19.150 20.932 19.198 1.00 0.00 H +ATOM 766 CE1 TYR 48 19.620 22.930 18.760 1.00 0.00 C +ATOM 767 HE1 TYR 48 19.630 23.250 19.792 1.00 0.00 H +ATOM 768 CZ TYR 48 19.800 23.950 17.750 1.00 0.00 C +ATOM 769 OH TYR 48 20.130 25.280 18.120 1.00 0.00 O +ATOM 770 HH TYR 48 20.468 25.718 17.334 1.00 0.00 H +ATOM 771 CD2 TYR 48 19.370 22.250 16.070 1.00 0.00 C +ATOM 772 HD2 TYR 48 19.270 22.070 15.010 1.00 0.00 H +ATOM 773 CE2 TYR 48 19.730 23.590 16.400 1.00 0.00 C +ATOM 774 HE2 TYR 48 19.890 24.394 15.696 1.00 0.00 H +ATOM 775 C TYR 48 19.080 17.510 17.430 1.00 0.00 C +ATOM 776 O TYR 48 19.420 16.580 16.680 1.00 0.00 O +ATOM 777 N PRO 49 18.120 17.250 18.420 1.00 0.00 N +ATOM 778 CD PRO 49 17.340 16.030 18.270 1.00 0.00 C +ATOM 779 HD1 PRO 49 17.892 15.066 18.270 1.00 0.00 H +ATOM 780 HD2 PRO 49 16.700 16.020 17.362 1.00 0.00 H +ATOM 781 CA PRO 49 18.050 17.730 19.760 1.00 0.00 C +ATOM 782 HA PRO 49 17.600 18.710 19.810 1.00 0.00 H +ATOM 783 CB PRO 49 17.320 16.730 20.630 1.00 0.00 C +ATOM 784 HB1 PRO 49 17.988 15.874 20.868 1.00 0.00 H +ATOM 785 HB2 PRO 49 16.800 17.140 21.522 1.00 0.00 H +ATOM 786 CG PRO 49 16.430 16.100 19.470 1.00 0.00 C +ATOM 787 HG1 PRO 49 16.062 15.068 19.658 1.00 0.00 H +ATOM 788 HG2 PRO 49 15.618 16.812 19.210 1.00 0.00 H +ATOM 789 C PRO 49 19.410 18.010 20.480 1.00 0.00 C +ATOM 790 O PRO 49 20.420 17.250 20.320 1.00 0.00 O +ATOM 791 N LEU 50 19.480 19.100 21.280 1.00 0.00 N +ATOM 792 HN LEU 50 18.638 19.632 21.280 1.00 0.00 H +ATOM 793 CA LEU 50 20.570 19.560 22.110 1.00 0.00 C +ATOM 794 HA LEU 50 21.396 18.894 21.910 1.00 0.00 H +ATOM 795 CB LEU 50 20.830 21.140 21.750 1.00 0.00 C +ATOM 796 HB1 LEU 50 20.870 20.980 20.652 1.00 0.00 H +ATOM 797 HB2 LEU 50 19.920 21.760 21.900 1.00 0.00 H +ATOM 798 CG LEU 50 22.130 21.740 22.260 1.00 0.00 C +ATOM 799 HG LEU 50 22.764 20.844 22.432 1.00 0.00 H +ATOM 800 CD1 LEU 50 22.780 22.600 21.240 1.00 0.00 C +ATOM 801 1HD1 LEU 50 23.330 21.960 20.520 1.00 0.00 H +ATOM 802 2HD1 LEU 50 22.070 23.278 20.720 1.00 0.00 H +ATOM 803 3HD1 LEU 50 23.558 23.218 21.738 1.00 0.00 H +ATOM 804 CD2 LEU 50 22.050 22.420 23.600 1.00 0.00 C +ATOM 805 1HD2 LEU 50 21.272 21.992 24.268 1.00 0.00 H +ATOM 806 2HD2 LEU 50 22.982 22.258 24.182 1.00 0.00 H +ATOM 807 3HD2 LEU 50 21.860 23.514 23.570 1.00 0.00 H +ATOM 808 C LEU 50 20.060 19.420 23.580 1.00 0.00 C +ATOM 809 O LEU 50 18.860 19.680 23.800 1.00 0.00 O +ATOM 810 N VAL 51 20.850 18.730 24.460 1.00 0.00 N +ATOM 811 HN VAL 51 21.786 18.412 24.330 1.00 0.00 H +ATOM 812 CA VAL 51 20.400 18.540 25.780 1.00 0.00 C +ATOM 813 HA VAL 51 19.570 19.190 26.010 1.00 0.00 H +ATOM 814 CB VAL 51 19.990 17.040 26.040 1.00 0.00 C +ATOM 815 HB VAL 51 20.854 16.398 25.768 1.00 0.00 H +ATOM 816 CG1 VAL 51 19.790 16.860 27.540 1.00 0.00 C +ATOM 817 1HG1 VAL 51 19.144 17.686 27.908 1.00 0.00 H +ATOM 818 2HG1 VAL 51 19.412 15.844 27.780 1.00 0.00 H +ATOM 819 3HG1 VAL 51 20.756 17.020 28.064 1.00 0.00 H +ATOM 820 CG2 VAL 51 18.760 16.580 25.280 1.00 0.00 C +ATOM 821 1HG2 VAL 51 18.980 16.640 24.192 1.00 0.00 H +ATOM 822 2HG2 VAL 51 18.510 15.530 25.540 1.00 0.00 H +ATOM 823 3HG2 VAL 51 17.798 17.102 25.470 1.00 0.00 H +ATOM 824 C VAL 51 21.630 18.990 26.530 1.00 0.00 C +ATOM 825 O VAL 51 22.730 18.470 26.460 1.00 0.00 O +ATOM 826 N LEU 52 21.450 20.100 27.310 1.00 0.00 N +ATOM 827 HN LEU 52 20.612 20.640 27.290 1.00 0.00 H +ATOM 828 CA LEU 52 22.510 20.770 28.000 1.00 0.00 C +ATOM 829 HA LEU 52 23.394 20.154 27.920 1.00 0.00 H +ATOM 830 CB LEU 52 22.690 22.190 27.520 1.00 0.00 C +ATOM 831 HB1 LEU 52 22.870 22.140 26.424 1.00 0.00 H +ATOM 832 HB2 LEU 52 21.664 22.618 27.490 1.00 0.00 H +ATOM 833 CG LEU 52 23.750 23.130 28.160 1.00 0.00 C +ATOM 834 HG LEU 52 23.400 23.350 29.190 1.00 0.00 H +ATOM 835 CD1 LEU 52 25.170 22.410 28.290 1.00 0.00 C +ATOM 836 1HD1 LEU 52 25.934 23.154 28.602 1.00 0.00 H +ATOM 837 2HD1 LEU 52 25.150 21.494 28.918 1.00 0.00 H +ATOM 838 3HD1 LEU 52 25.500 22.090 27.278 1.00 0.00 H +ATOM 839 CD2 LEU 52 23.750 24.390 27.320 1.00 0.00 C +ATOM 840 1HD2 LEU 52 22.722 24.790 27.190 1.00 0.00 H +ATOM 841 2HD2 LEU 52 24.428 25.116 27.818 1.00 0.00 H +ATOM 842 3HD2 LEU 52 24.200 24.270 26.312 1.00 0.00 H +ATOM 843 C LEU 52 22.150 20.830 29.520 1.00 0.00 C +ATOM 844 O LEU 52 21.200 21.490 29.920 1.00 0.00 O +ATOM 845 N GLU 53 22.970 20.070 30.290 1.00 0.00 N +ATOM 846 HN GLU 53 23.698 19.492 29.930 1.00 0.00 H +ATOM 847 CA GLU 53 22.900 20.070 31.680 1.00 0.00 C +ATOM 848 HA GLU 53 21.986 20.488 32.078 1.00 0.00 H +ATOM 849 CB GLU 53 23.150 18.630 32.290 1.00 0.00 C +ATOM 850 HB1 GLU 53 22.588 17.838 31.750 1.00 0.00 H +ATOM 851 HB2 GLU 53 24.206 18.292 32.230 1.00 0.00 H +ATOM 852 CG GLU 53 22.800 18.530 33.830 1.00 0.00 C +ATOM 853 HG1 GLU 53 23.296 19.334 34.416 1.00 0.00 H +ATOM 854 HG2 GLU 53 21.692 18.600 33.890 1.00 0.00 H +ATOM 855 CD GLU 53 23.200 17.170 34.480 1.00 0.00 C +ATOM 856 OE1 GLU 53 23.580 16.230 33.780 1.00 0.00 O +ATOM 857 OE2 GLU 53 23.150 17.050 35.730 1.00 0.00 O +ATOM 858 C GLU 53 23.930 20.990 32.310 1.00 0.00 C +ATOM 859 O GLU 53 25.150 20.840 32.240 1.00 0.00 O +ATOM 860 N TRP 54 23.480 22.060 33.000 1.00 0.00 N +ATOM 861 HN TRP 54 22.494 22.200 32.970 1.00 0.00 H +ATOM 862 CA TRP 54 24.290 22.980 33.730 1.00 0.00 C +ATOM 863 HA TRP 54 25.338 22.800 33.540 1.00 0.00 H +ATOM 864 CB TRP 54 24.030 24.470 33.270 1.00 0.00 C +ATOM 865 HB1 TRP 54 24.030 24.390 32.162 1.00 0.00 H +ATOM 866 HB2 TRP 54 23.046 24.802 33.662 1.00 0.00 H +ATOM 867 CG TRP 54 25.110 25.570 33.440 1.00 0.00 C +ATOM 868 CD1 TRP 54 25.990 25.740 34.460 1.00 0.00 C +ATOM 869 HD1 TRP 54 26.120 25.100 35.320 1.00 0.00 H +ATOM 870 NE1 TRP 54 26.610 26.990 34.290 1.00 0.00 N +ATOM 871 HE1 TRP 54 26.902 27.634 34.964 1.00 0.00 H +ATOM 872 CE2 TRP 54 26.340 27.530 33.140 1.00 0.00 C +ATOM 873 CD2 TRP 54 25.260 26.780 32.600 1.00 0.00 C +ATOM 874 CE3 TRP 54 24.640 27.210 31.420 1.00 0.00 C +ATOM 875 HE3 TRP 54 23.746 26.752 31.022 1.00 0.00 H +ATOM 876 CZ3 TRP 54 25.060 28.440 30.870 1.00 0.00 C +ATOM 877 HZ3 TRP 54 24.512 28.778 30.002 1.00 0.00 H +ATOM 878 CZ2 TRP 54 26.790 28.700 32.560 1.00 0.00 C +ATOM 879 HZ2 TRP 54 27.550 29.330 33.000 1.00 0.00 H +ATOM 880 CH2 TRP 54 26.120 29.090 31.400 1.00 0.00 C +ATOM 881 HH2 TRP 54 26.458 30.048 31.032 1.00 0.00 H +ATOM 882 C TRP 54 24.180 22.650 35.250 1.00 0.00 C +ATOM 883 O TRP 54 23.130 22.810 35.860 1.00 0.00 O +ATOM 884 N ARG 55 25.160 22.040 35.850 1.00 0.00 N +ATOM 885 HN ARG 55 25.850 21.630 35.260 1.00 0.00 H +ATOM 886 CA ARG 55 25.340 21.630 37.190 1.00 0.00 C +ATOM 887 HA ARG 55 24.362 21.420 37.600 1.00 0.00 H +ATOM 888 CB ARG 55 26.190 20.370 37.530 1.00 0.00 C +ATOM 889 HB1 ARG 55 27.186 20.658 37.132 1.00 0.00 H +ATOM 890 HB2 ARG 55 26.310 20.088 38.598 1.00 0.00 H +ATOM 891 CG ARG 55 25.660 19.138 36.780 1.00 0.00 C +ATOM 892 HG1 ARG 55 24.580 18.990 36.990 1.00 0.00 H +ATOM 893 HG2 ARG 55 25.730 19.220 35.674 1.00 0.00 H +ATOM 894 CD ARG 55 26.580 17.960 36.960 1.00 0.00 C +ATOM 895 HD1 ARG 55 27.586 18.312 36.648 1.00 0.00 H +ATOM 896 HD2 ARG 55 26.530 17.730 38.046 1.00 0.00 H +ATOM 897 NE ARG 55 26.040 16.850 36.090 1.00 0.00 N +ATOM 898 HE ARG 55 25.160 17.000 35.640 1.00 0.00 H +ATOM 899 CZ ARG 55 26.740 15.880 35.570 1.00 0.00 C +ATOM 900 NH1 ARG 55 27.940 15.540 35.910 1.00 0.00 N +ATOM 901 1HH1 ARG 55 28.218 15.828 36.826 1.00 0.00 H +ATOM 902 2HH1 ARG 55 28.410 14.840 35.370 1.00 0.00 H +ATOM 903 NH2 ARG 55 26.100 15.140 34.640 1.00 0.00 N +ATOM 904 1HH2 ARG 55 25.194 15.478 34.382 1.00 0.00 H +ATOM 905 2HH2 ARG 55 26.482 14.294 34.268 1.00 0.00 H +ATOM 906 C ARG 55 25.960 22.818 37.920 1.00 0.00 C +ATOM 907 O ARG 55 27.040 23.260 37.480 1.00 0.00 O +ATOM 908 N GLN 56 25.290 23.440 38.930 1.00 0.00 N +ATOM 909 HN GLN 56 24.352 23.200 39.170 1.00 0.00 H +ATOM 910 CA GLN 56 25.950 24.510 39.730 1.00 0.00 C +ATOM 911 HA GLN 56 25.340 24.570 40.620 1.00 0.00 H +ATOM 912 CB GLN 56 27.380 24.110 40.140 1.00 0.00 C +ATOM 913 HB1 GLN 56 28.000 24.100 39.218 1.00 0.00 H +ATOM 914 HB2 GLN 56 27.750 24.830 40.900 1.00 0.00 H +ATOM 915 CG GLN 56 27.440 22.740 40.940 1.00 0.00 C +ATOM 916 HG1 GLN 56 27.630 21.904 40.234 1.00 0.00 H +ATOM 917 HG2 GLN 56 28.340 22.750 41.590 1.00 0.00 H +ATOM 918 CD GLN 56 26.250 22.310 41.850 1.00 0.00 C +ATOM 919 OE1 GLN 56 25.660 21.270 41.610 1.00 0.00 O +ATOM 920 NE2 GLN 56 25.910 23.220 42.850 1.00 0.00 N +ATOM 921 1HE2 GLN 56 26.428 24.076 42.820 1.00 0.00 H +ATOM 922 2HE2 GLN 56 25.030 23.170 43.320 1.00 0.00 H +ATOM 923 C GLN 56 26.040 25.790 39.010 1.00 0.00 C +ATOM 924 O GLN 56 27.040 26.530 39.020 1.00 0.00 O +ATOM 925 N PHE 57 24.970 26.150 38.350 1.00 0.00 N +ATOM 926 HN PHE 57 24.194 25.534 38.240 1.00 0.00 H +ATOM 927 CA PHE 57 24.920 27.458 37.760 1.00 0.00 C +ATOM 928 HA PHE 57 25.652 27.480 36.968 1.00 0.00 H +ATOM 929 CB PHE 57 23.570 27.470 36.880 1.00 0.00 C +ATOM 930 HB1 PHE 57 23.620 26.738 36.046 1.00 0.00 H +ATOM 931 HB2 PHE 57 22.670 27.140 37.440 1.00 0.00 H +ATOM 932 CG PHE 57 23.270 28.860 36.350 1.00 0.00 C +ATOM 933 CD1 PHE 57 23.810 29.298 35.190 1.00 0.00 C +ATOM 934 HD1 PHE 57 24.520 28.700 34.640 1.00 0.00 H +ATOM 935 CE1 PHE 57 23.620 30.570 34.700 1.00 0.00 C +ATOM 936 HE1 PHE 57 24.150 30.810 33.790 1.00 0.00 H +ATOM 937 CZ PHE 57 22.740 31.470 35.340 1.00 0.00 C +ATOM 938 HZ PHE 57 22.510 32.462 34.980 1.00 0.00 H +ATOM 939 CD2 PHE 57 22.490 29.790 37.120 1.00 0.00 C +ATOM 940 HD2 PHE 57 21.930 29.580 38.020 1.00 0.00 H +ATOM 941 CE2 PHE 57 22.230 31.080 36.610 1.00 0.00 C +ATOM 942 HE2 PHE 57 21.546 31.804 37.026 1.00 0.00 H +ATOM 943 C PHE 57 25.110 28.690 38.590 1.00 0.00 C +ATOM 944 O PHE 57 25.820 29.590 38.060 1.00 0.00 O +ATOM 945 N GLU 58 24.490 28.810 39.740 1.00 0.00 N +ATOM 946 HN GLU 58 23.798 28.158 40.040 1.00 0.00 H +ATOM 947 CA GLU 58 24.670 29.930 40.670 1.00 0.00 C +ATOM 948 HA GLU 58 24.490 30.818 40.082 1.00 0.00 H +ATOM 949 CB GLU 58 23.710 29.890 41.800 1.00 0.00 C +ATOM 950 HB1 GLU 58 24.040 30.610 42.580 1.00 0.00 H +ATOM 951 HB2 GLU 58 22.784 30.332 41.378 1.00 0.00 H +ATOM 952 CG GLU 58 23.410 28.508 42.460 1.00 0.00 C +ATOM 953 HG1 GLU 58 24.366 27.952 42.570 1.00 0.00 H +ATOM 954 HG2 GLU 58 23.170 28.660 43.534 1.00 0.00 H +ATOM 955 CD GLU 58 22.360 27.710 41.870 1.00 0.00 C +ATOM 956 OE1 GLU 58 21.120 27.780 42.270 1.00 0.00 O +ATOM 957 OE2 GLU 58 22.670 26.930 40.970 1.00 0.00 O +ATOM 958 C GLU 58 26.130 30.150 41.120 1.00 0.00 C +ATOM 959 O GLU 58 26.610 31.280 41.200 1.00 0.00 O +ATOM 960 N GLN 59 26.830 28.968 41.330 1.00 0.00 N +ATOM 961 HN GLN 59 26.358 28.098 41.230 1.00 0.00 H +ATOM 962 CA GLN 59 28.290 28.960 41.520 1.00 0.00 C +ATOM 963 HA GLN 59 28.520 29.670 42.300 1.00 0.00 H +ATOM 964 CB GLN 59 28.830 27.530 41.870 1.00 0.00 C +ATOM 965 HB1 GLN 59 28.470 26.838 41.078 1.00 0.00 H +ATOM 966 HB2 GLN 59 29.930 27.450 41.730 1.00 0.00 H +ATOM 967 CG GLN 59 28.480 27.010 43.220 1.00 0.00 C +ATOM 968 HG1 GLN 59 29.240 26.270 43.550 1.00 0.00 H +ATOM 969 HG2 GLN 59 28.530 27.896 43.888 1.00 0.00 H +ATOM 970 CD GLN 59 27.190 26.300 43.420 1.00 0.00 C +ATOM 971 OE1 GLN 59 26.250 26.280 42.660 1.00 0.00 O +ATOM 972 NE2 GLN 59 27.090 25.570 44.570 1.00 0.00 N +ATOM 973 1HE2 GLN 59 27.764 25.758 45.284 1.00 0.00 H +ATOM 974 2HE2 GLN 59 26.288 24.978 44.650 1.00 0.00 H +ATOM 975 C GLN 59 29.030 29.450 40.280 1.00 0.00 C +ATOM 976 O GLN 59 30.010 30.250 40.420 1.00 0.00 O +ATOM 977 N SER 60 28.630 29.040 39.060 1.00 0.00 N +ATOM 978 HN SER 60 27.890 28.390 38.900 1.00 0.00 H +ATOM 979 CA SER 60 29.220 29.600 37.820 1.00 0.00 C +ATOM 980 HA SER 60 30.274 29.460 38.010 1.00 0.00 H +ATOM 981 CB SER 60 28.840 28.850 36.530 1.00 0.00 C +ATOM 982 HB1 SER 60 29.588 28.910 35.712 1.00 0.00 H +ATOM 983 HB2 SER 60 28.850 27.790 36.860 1.00 0.00 H +ATOM 984 OG SER 60 27.540 29.168 35.970 1.00 0.00 O +ATOM 985 HG1 SER 60 26.988 29.522 36.672 1.00 0.00 H +ATOM 986 C SER 60 29.040 31.080 37.590 1.00 0.00 C +ATOM 987 O SER 60 29.830 31.740 36.960 1.00 0.00 O +ATOM 988 N LYS 61 27.980 31.590 38.180 1.00 0.00 N +ATOM 989 HN LYS 61 27.380 30.940 38.640 1.00 0.00 H +ATOM 990 CA LYS 61 27.520 32.980 38.030 1.00 0.00 C +ATOM 991 HA LYS 61 27.780 33.320 37.038 1.00 0.00 H +ATOM 992 CB LYS 61 25.990 32.990 38.110 1.00 0.00 C +ATOM 993 HB1 LYS 61 25.602 32.364 37.276 1.00 0.00 H +ATOM 994 HB2 LYS 61 25.650 32.482 39.038 1.00 0.00 H +ATOM 995 CG LYS 61 25.360 34.390 38.020 1.00 0.00 C +ATOM 996 HG1 LYS 61 25.630 35.022 38.892 1.00 0.00 H +ATOM 997 HG2 LYS 61 25.740 34.860 37.088 1.00 0.00 H +ATOM 998 CD LYS 61 23.800 34.250 37.990 1.00 0.00 C +ATOM 999 HD1 LYS 61 23.540 33.658 37.088 1.00 0.00 H +ATOM 1000 HD2 LYS 61 23.610 33.582 38.858 1.00 0.00 H +ATOM 1001 CE LYS 61 23.200 35.630 38.140 1.00 0.00 C +ATOM 1002 HE1 LYS 61 23.558 36.178 39.038 1.00 0.00 H +ATOM 1003 HE2 LYS 61 23.300 36.218 37.202 1.00 0.00 H +ATOM 1004 NZ LYS 61 21.740 35.410 38.220 1.00 0.00 N +ATOM 1005 HZ1 LYS 61 21.438 35.038 37.296 1.00 0.00 H +ATOM 1006 HZ2 LYS 61 21.472 34.864 39.064 1.00 0.00 H +ATOM 1007 HZ3 LYS 61 21.300 36.350 38.290 1.00 0.00 H +ATOM 1008 C LYS 61 28.220 33.930 38.950 1.00 0.00 C +ATOM 1009 O LYS 61 28.210 35.160 38.790 1.00 0.00 O +ATOM 1010 N GLN 62 28.980 33.390 39.950 1.00 0.00 N +ATOM 1011 HN GLN 62 28.830 32.416 40.100 1.00 0.00 H +ATOM 1012 CA GLN 62 29.910 34.120 40.770 1.00 0.00 C +ATOM 1013 HA GLN 62 29.680 35.168 40.900 1.00 0.00 H +ATOM 1014 CB GLN 62 29.990 33.400 42.180 1.00 0.00 C +ATOM 1015 HB1 GLN 62 30.220 32.318 42.080 1.00 0.00 H +ATOM 1016 HB2 GLN 62 30.852 33.916 42.656 1.00 0.00 H +ATOM 1017 CG GLN 62 28.750 33.570 43.070 1.00 0.00 C +ATOM 1018 HG1 GLN 62 28.600 34.634 43.352 1.00 0.00 H +ATOM 1019 HG2 GLN 62 27.860 33.230 42.500 1.00 0.00 H +ATOM 1020 CD GLN 62 28.680 32.710 44.350 1.00 0.00 C +ATOM 1021 OE1 GLN 62 28.210 31.600 44.500 1.00 0.00 O +ATOM 1022 NE2 GLN 62 29.270 33.300 45.400 1.00 0.00 N +ATOM 1023 1HE2 GLN 62 29.864 34.096 45.290 1.00 0.00 H +ATOM 1024 2HE2 GLN 62 29.360 32.838 46.282 1.00 0.00 H +ATOM 1025 C GLN 62 31.330 34.050 40.220 1.00 0.00 C +ATOM 1026 O GLN 62 32.030 35.050 40.160 1.00 0.00 O +ATOM 1027 N LEU 63 31.710 32.880 39.700 1.00 0.00 N +ATOM 1028 HN LEU 63 31.022 32.162 39.760 1.00 0.00 H +ATOM 1029 CA LEU 63 32.940 32.660 38.950 1.00 0.00 C +ATOM 1030 HA LEU 63 33.744 33.022 39.574 1.00 0.00 H +ATOM 1031 CB LEU 63 33.120 31.110 38.690 1.00 0.00 C +ATOM 1032 HB1 LEU 63 32.230 30.620 38.240 1.00 0.00 H +ATOM 1033 HB2 LEU 63 33.968 30.950 37.990 1.00 0.00 H +ATOM 1034 CG LEU 63 33.350 30.360 40.050 1.00 0.00 C +ATOM 1035 HG LEU 63 32.600 30.710 40.790 1.00 0.00 H +ATOM 1036 CD1 LEU 63 33.080 28.890 39.980 1.00 0.00 C +ATOM 1037 1HD1 LEU 63 33.320 28.512 40.996 1.00 0.00 H +ATOM 1038 2HD1 LEU 63 32.010 28.900 39.680 1.00 0.00 H +ATOM 1039 3HD1 LEU 63 33.700 28.290 39.280 1.00 0.00 H +ATOM 1040 CD2 LEU 63 34.780 30.520 40.650 1.00 0.00 C +ATOM 1041 1HD2 LEU 63 35.518 30.260 39.862 1.00 0.00 H +ATOM 1042 2HD2 LEU 63 35.098 31.546 40.938 1.00 0.00 H +ATOM 1043 3HD2 LEU 63 34.900 29.844 41.524 1.00 0.00 H +ATOM 1044 C LEU 63 33.180 33.340 37.570 1.00 0.00 C +ATOM 1045 O LEU 63 34.390 33.640 37.270 1.00 0.00 O +ATOM 1046 N THR 64 32.150 33.740 36.890 1.00 0.00 N +ATOM 1047 HN THR 64 31.220 33.560 37.200 1.00 0.00 H +ATOM 1048 CA THR 64 32.360 34.500 35.650 1.00 0.00 C +ATOM 1049 HA THR 64 33.398 34.520 35.350 1.00 0.00 H +ATOM 1050 CB THR 64 31.630 33.760 34.480 1.00 0.00 C +ATOM 1051 HB THR 64 31.700 34.260 33.490 1.00 0.00 H +ATOM 1052 OG1 THR 64 30.280 33.550 34.790 1.00 0.00 O +ATOM 1053 HG1 THR 64 30.170 32.944 35.526 1.00 0.00 H +ATOM 1054 CG2 THR 64 32.190 32.330 34.210 1.00 0.00 C +ATOM 1055 1HG2 THR 64 32.120 31.722 35.138 1.00 0.00 H +ATOM 1056 2HG2 THR 64 31.668 31.908 33.326 1.00 0.00 H +ATOM 1057 3HG2 THR 64 33.202 32.480 33.778 1.00 0.00 H +ATOM 1058 C THR 64 31.710 35.900 35.760 1.00 0.00 C +ATOM 1059 O THR 64 31.700 36.550 34.740 1.00 0.00 O +ATOM 1060 N GLU 65 31.210 36.400 36.940 1.00 0.00 N +ATOM 1061 HN GLU 65 31.510 35.970 37.788 1.00 0.00 H +ATOM 1062 CA GLU 65 30.170 37.370 37.060 1.00 0.00 C +ATOM 1063 HA GLU 65 29.890 37.220 38.092 1.00 0.00 H +ATOM 1064 CB GLU 65 30.620 38.870 37.040 1.00 0.00 C +ATOM 1065 HB1 GLU 65 29.772 39.518 37.350 1.00 0.00 H +ATOM 1066 HB2 GLU 65 31.500 38.880 37.720 1.00 0.00 H +ATOM 1067 CG GLU 65 31.230 39.310 35.650 1.00 0.00 C +ATOM 1068 HG1 GLU 65 32.194 38.788 35.480 1.00 0.00 H +ATOM 1069 HG2 GLU 65 30.502 39.050 34.852 1.00 0.00 H +ATOM 1070 CD GLU 65 31.500 40.818 35.560 1.00 0.00 C +ATOM 1071 OE1 GLU 65 32.190 41.260 36.520 1.00 0.00 O +ATOM 1072 OE2 GLU 65 31.170 41.510 34.530 1.00 0.00 O +ATOM 1073 C GLU 65 28.890 37.030 36.350 1.00 0.00 C +ATOM 1074 O GLU 65 28.490 35.870 36.150 1.00 0.00 O +ATOM 1075 N ASN 66 28.270 38.010 35.730 1.00 0.00 N +ATOM 1076 HN ASN 66 28.598 38.944 35.850 1.00 0.00 H +ATOM 1077 CA ASN 66 26.970 37.740 35.080 1.00 0.00 C +ATOM 1078 HA ASN 66 26.458 36.988 35.662 1.00 0.00 H +ATOM 1079 CB ASN 66 26.020 38.980 35.180 1.00 0.00 C +ATOM 1080 HB1 ASN 66 26.550 39.820 34.680 1.00 0.00 H +ATOM 1081 HB2 ASN 66 25.120 38.680 34.600 1.00 0.00 H +ATOM 1082 CG ASN 66 25.800 39.270 36.640 1.00 0.00 C +ATOM 1083 OD1 ASN 66 25.050 38.540 37.280 1.00 0.00 O +ATOM 1084 ND2 ASN 66 26.560 40.240 37.170 1.00 0.00 N +ATOM 1085 1HD2 ASN 66 27.302 40.650 36.640 1.00 0.00 H +ATOM 1086 2HD2 ASN 66 26.288 40.572 38.074 1.00 0.00 H +ATOM 1087 C ASN 66 27.250 37.340 33.650 1.00 0.00 C +ATOM 1088 O ASN 66 26.290 37.150 32.890 1.00 0.00 O +ATOM 1089 N GLY 67 28.500 36.930 33.210 1.00 0.00 N +ATOM 1090 HN GLY 67 29.218 36.980 33.900 1.00 0.00 H +ATOM 1091 CA GLY 67 28.770 36.240 31.960 1.00 0.00 C +ATOM 1092 HA1 GLY 67 28.420 36.838 31.132 1.00 0.00 H +ATOM 1093 HA2 GLY 67 29.832 36.090 31.830 1.00 0.00 H +ATOM 1094 C GLY 67 28.050 34.960 31.750 1.00 0.00 C +ATOM 1095 O GLY 67 27.490 34.710 30.680 1.00 0.00 O +ATOM 1096 N ALA 68 28.010 34.130 32.810 1.00 0.00 N +ATOM 1097 HN ALA 68 28.528 34.330 33.638 1.00 0.00 H +ATOM 1098 CA ALA 68 27.210 32.910 32.830 1.00 0.00 C +ATOM 1099 HA ALA 68 27.620 32.370 31.990 1.00 0.00 H +ATOM 1100 CB ALA 68 27.580 32.130 34.110 1.00 0.00 C +ATOM 1101 HB1 ALA 68 27.380 32.638 35.078 1.00 0.00 H +ATOM 1102 HB2 ALA 68 26.922 31.234 34.120 1.00 0.00 H +ATOM 1103 HB3 ALA 68 28.606 31.748 33.928 1.00 0.00 H +ATOM 1104 C ALA 68 25.710 33.050 32.590 1.00 0.00 C +ATOM 1105 O ALA 68 25.180 32.290 31.780 1.00 0.00 O +ATOM 1106 N GLU 69 25.060 34.050 33.190 1.00 0.00 N +ATOM 1107 HN GLU 69 25.660 34.680 33.680 1.00 0.00 H +ATOM 1108 CA GLU 69 23.690 34.500 33.040 1.00 0.00 C +ATOM 1109 HA GLU 69 22.968 33.728 33.260 1.00 0.00 H +ATOM 1110 CB GLU 69 23.380 35.670 34.070 1.00 0.00 C +ATOM 1111 HB1 GLU 69 23.680 35.290 35.070 1.00 0.00 H +ATOM 1112 HB2 GLU 69 23.938 36.558 33.702 1.00 0.00 H +ATOM 1113 CG GLU 69 21.830 36.050 34.090 1.00 0.00 C +ATOM 1114 HG1 GLU 69 21.950 36.950 34.730 1.00 0.00 H +ATOM 1115 HG2 GLU 69 21.448 36.400 33.108 1.00 0.00 H +ATOM 1116 CD GLU 69 20.880 35.080 34.740 1.00 0.00 C +ATOM 1117 OE1 GLU 69 21.030 34.650 35.880 1.00 0.00 O +ATOM 1118 OE2 GLU 69 19.860 34.720 34.050 1.00 0.00 O +ATOM 1119 C GLU 69 23.450 34.920 31.600 1.00 0.00 C +ATOM 1120 O GLU 69 22.600 34.330 30.990 1.00 0.00 O +ATOM 1121 N SER 70 24.340 35.710 30.910 1.00 0.00 N +ATOM 1122 HN SER 70 25.072 36.072 31.482 1.00 0.00 H +ATOM 1123 CA SER 70 24.220 35.970 29.480 1.00 0.00 C +ATOM 1124 HA SER 70 23.188 36.290 29.460 1.00 0.00 H +ATOM 1125 CB SER 70 24.960 37.250 28.990 1.00 0.00 C +ATOM 1126 HB1 SER 70 24.610 37.530 27.972 1.00 0.00 H +ATOM 1127 HB2 SER 70 24.516 37.974 29.704 1.00 0.00 H +ATOM 1128 OG SER 70 26.370 37.180 29.060 1.00 0.00 O +ATOM 1129 HG1 SER 70 26.650 36.320 28.740 1.00 0.00 H +ATOM 1130 C SER 70 24.350 34.820 28.590 1.00 0.00 C +ATOM 1131 O SER 70 23.640 34.690 27.590 1.00 0.00 O +ATOM 1132 N VAL 71 25.270 33.960 28.870 1.00 0.00 N +ATOM 1133 HN VAL 71 25.820 34.040 29.698 1.00 0.00 H +ATOM 1134 CA VAL 71 25.410 32.670 28.090 1.00 0.00 C +ATOM 1135 HA VAL 71 25.350 32.972 27.056 1.00 0.00 H +ATOM 1136 CB VAL 71 26.740 32.100 28.450 1.00 0.00 C +ATOM 1137 HB VAL 71 26.790 32.120 29.560 1.00 0.00 H +ATOM 1138 CG1 VAL 71 26.850 30.680 27.920 1.00 0.00 C +ATOM 1139 1HG1 VAL 71 26.530 30.750 26.858 1.00 0.00 H +ATOM 1140 2HG1 VAL 71 27.904 30.332 27.960 1.00 0.00 H +ATOM 1141 3HG1 VAL 71 26.106 29.956 28.312 1.00 0.00 H +ATOM 1142 CG2 VAL 71 27.860 33.040 27.900 1.00 0.00 C +ATOM 1143 1HG2 VAL 71 27.660 34.058 28.300 1.00 0.00 H +ATOM 1144 2HG2 VAL 71 28.860 32.740 28.280 1.00 0.00 H +ATOM 1145 3HG2 VAL 71 27.770 33.170 26.800 1.00 0.00 H +ATOM 1146 C VAL 71 24.210 31.730 28.260 1.00 0.00 C +ATOM 1147 O VAL 71 23.630 31.260 27.250 1.00 0.00 O +ATOM 1148 N LEU 72 23.690 31.540 29.460 1.00 0.00 N +ATOM 1149 HN LEU 72 24.160 31.760 30.310 1.00 0.00 H +ATOM 1150 CA LEU 72 22.410 30.960 29.610 1.00 0.00 C +ATOM 1151 HA LEU 72 22.430 29.998 29.120 1.00 0.00 H +ATOM 1152 CB LEU 72 22.100 30.680 31.080 1.00 0.00 C +ATOM 1153 HB1 LEU 72 22.960 30.150 31.540 1.00 0.00 H +ATOM 1154 HB2 LEU 72 22.252 31.686 31.524 1.00 0.00 H +ATOM 1155 CG LEU 72 20.680 30.050 31.370 1.00 0.00 C +ATOM 1156 HG LEU 72 19.934 30.728 30.902 1.00 0.00 H +ATOM 1157 CD1 LEU 72 20.470 28.660 30.730 1.00 0.00 C +ATOM 1158 1HD1 LEU 72 21.220 27.890 31.010 1.00 0.00 H +ATOM 1159 2HD1 LEU 72 19.480 28.210 30.960 1.00 0.00 H +ATOM 1160 3HD1 LEU 72 20.630 28.800 29.640 1.00 0.00 H +ATOM 1161 CD2 LEU 72 20.250 30.050 32.880 1.00 0.00 C +ATOM 1162 1HD2 LEU 72 19.162 29.858 33.010 1.00 0.00 H +ATOM 1163 2HD2 LEU 72 20.770 29.182 33.340 1.00 0.00 H +ATOM 1164 3HD2 LEU 72 20.370 30.942 33.532 1.00 0.00 H +ATOM 1165 C LEU 72 21.260 31.700 28.870 1.00 0.00 C +ATOM 1166 O LEU 72 20.430 31.090 28.270 1.00 0.00 O +ATOM 1167 N GLN 73 21.310 33.060 28.760 1.00 0.00 N +ATOM 1168 HN GLN 73 21.860 33.440 29.500 1.00 0.00 H +ATOM 1169 CA GLN 73 20.310 33.770 28.080 1.00 0.00 C +ATOM 1170 HA GLN 73 19.382 33.480 28.550 1.00 0.00 H +ATOM 1171 CB GLN 73 20.450 35.330 28.290 1.00 0.00 C +ATOM 1172 HB1 GLN 73 20.450 35.588 29.372 1.00 0.00 H +ATOM 1173 HB2 GLN 73 21.442 35.600 27.870 1.00 0.00 H +ATOM 1174 CG GLN 73 19.400 36.170 27.530 1.00 0.00 C +ATOM 1175 HG1 GLN 73 19.680 37.232 27.690 1.00 0.00 H +ATOM 1176 HG2 GLN 73 19.430 35.960 26.440 1.00 0.00 H +ATOM 1177 CD GLN 73 18.000 35.910 28.150 1.00 0.00 C +ATOM 1178 OE1 GLN 73 17.800 35.830 29.370 1.00 0.00 O +ATOM 1179 NE2 GLN 73 17.000 35.810 27.220 1.00 0.00 N +ATOM 1180 1HE2 GLN 73 17.288 36.098 26.306 1.00 0.00 H +ATOM 1181 2HE2 GLN 73 16.080 35.540 27.500 1.00 0.00 H +ATOM 1182 C GLN 73 20.220 33.330 26.600 1.00 0.00 C +ATOM 1183 O GLN 73 19.120 33.230 26.090 1.00 0.00 O +ATOM 1184 N VAL 74 21.360 33.070 25.910 1.00 0.00 N +ATOM 1185 HN VAL 74 22.210 33.350 26.350 1.00 0.00 H +ATOM 1186 CA VAL 74 21.430 32.740 24.460 1.00 0.00 C +ATOM 1187 HA VAL 74 20.890 33.458 23.860 1.00 0.00 H +ATOM 1188 CB VAL 74 22.930 32.590 23.990 1.00 0.00 C +ATOM 1189 HB VAL 74 23.382 31.788 24.612 1.00 0.00 H +ATOM 1190 CG1 VAL 74 23.150 32.260 22.500 1.00 0.00 C +ATOM 1191 1HG1 VAL 74 22.470 31.470 22.120 1.00 0.00 H +ATOM 1192 2HG1 VAL 74 22.910 33.120 21.840 1.00 0.00 H +ATOM 1193 3HG1 VAL 74 24.218 32.010 22.320 1.00 0.00 H +ATOM 1194 CG2 VAL 74 23.730 33.870 24.140 1.00 0.00 C +ATOM 1195 1HG2 VAL 74 23.670 34.120 25.220 1.00 0.00 H +ATOM 1196 2HG2 VAL 74 24.764 33.672 23.782 1.00 0.00 H +ATOM 1197 3HG2 VAL 74 23.260 34.648 23.502 1.00 0.00 H +ATOM 1198 C VAL 74 20.750 31.440 24.210 1.00 0.00 C +ATOM 1199 O VAL 74 19.960 31.420 23.270 1.00 0.00 O +ATOM 1200 N PHE 75 20.960 30.390 25.050 1.00 0.00 N +ATOM 1201 HN PHE 75 21.468 30.460 25.906 1.00 0.00 H +ATOM 1202 CA PHE 75 20.240 29.110 24.910 1.00 0.00 C +ATOM 1203 HA PHE 75 20.410 28.778 23.896 1.00 0.00 H +ATOM 1204 CB PHE 75 20.790 28.048 25.920 1.00 0.00 C +ATOM 1205 HB1 PHE 75 20.740 28.530 26.920 1.00 0.00 H +ATOM 1206 HB2 PHE 75 20.170 27.128 25.940 1.00 0.00 H +ATOM 1207 CG PHE 75 22.210 27.630 25.740 1.00 0.00 C +ATOM 1208 CD1 PHE 75 22.640 26.700 24.730 1.00 0.00 C +ATOM 1209 HD1 PHE 75 21.952 26.232 24.042 1.00 0.00 H +ATOM 1210 CE1 PHE 75 24.040 26.430 24.550 1.00 0.00 C +ATOM 1211 HE1 PHE 75 24.348 25.764 23.756 1.00 0.00 H +ATOM 1212 CZ PHE 75 24.950 27.020 25.400 1.00 0.00 C +ATOM 1213 HZ PHE 75 25.996 26.772 25.290 1.00 0.00 H +ATOM 1214 CD2 PHE 75 23.180 28.140 26.610 1.00 0.00 C +ATOM 1215 HD2 PHE 75 22.908 28.742 27.464 1.00 0.00 H +ATOM 1216 CE2 PHE 75 24.550 27.860 26.420 1.00 0.00 C +ATOM 1217 HE2 PHE 75 25.304 28.332 27.032 1.00 0.00 H +ATOM 1218 C PHE 75 18.710 29.260 25.120 1.00 0.00 C +ATOM 1219 O PHE 75 17.890 28.650 24.380 1.00 0.00 O +ATOM 1220 N ARG 76 18.320 29.980 26.140 1.00 0.00 N +ATOM 1221 HN ARG 76 18.858 30.398 26.868 1.00 0.00 H +ATOM 1222 CA ARG 76 16.940 30.320 26.310 1.00 0.00 C +ATOM 1223 HA ARG 76 16.430 29.368 26.310 1.00 0.00 H +ATOM 1224 CB ARG 76 16.640 31.010 27.650 1.00 0.00 C +ATOM 1225 HB1 ARG 76 17.030 32.050 27.640 1.00 0.00 H +ATOM 1226 HB2 ARG 76 15.538 31.150 27.630 1.00 0.00 H +ATOM 1227 CG ARG 76 17.060 30.190 28.920 1.00 0.00 C +ATOM 1228 HG1 ARG 76 16.822 29.108 28.840 1.00 0.00 H +ATOM 1229 HG2 ARG 76 18.166 30.250 28.980 1.00 0.00 H +ATOM 1230 CD ARG 76 16.400 30.790 30.210 1.00 0.00 C +ATOM 1231 HD1 ARG 76 16.742 30.338 31.164 1.00 0.00 H +ATOM 1232 HD2 ARG 76 16.720 31.852 30.270 1.00 0.00 H +ATOM 1233 NE ARG 76 14.960 30.680 30.140 1.00 0.00 N +ATOM 1234 HE ARG 76 14.542 29.902 29.672 1.00 0.00 H +ATOM 1235 CZ ARG 76 14.030 31.570 30.550 1.00 0.00 C +ATOM 1236 NH1 ARG 76 14.310 32.700 31.060 1.00 0.00 N +ATOM 1237 1HH1 ARG 76 15.214 32.988 31.378 1.00 0.00 H +ATOM 1238 2HH1 ARG 76 13.568 33.322 31.310 1.00 0.00 H +ATOM 1239 NH2 ARG 76 12.830 31.290 30.210 1.00 0.00 N +ATOM 1240 1HH2 ARG 76 12.612 30.354 29.932 1.00 0.00 H +ATOM 1241 2HH2 ARG 76 12.060 31.760 30.640 1.00 0.00 H +ATOM 1242 C ARG 76 16.320 31.100 25.150 1.00 0.00 C +ATOM 1243 O ARG 76 15.260 30.680 24.650 1.00 0.00 O +ATOM 1244 N GLU 77 16.970 32.150 24.710 1.00 0.00 N +ATOM 1245 HN GLU 77 17.868 32.430 25.040 1.00 0.00 H +ATOM 1246 CA GLU 77 16.470 32.950 23.640 1.00 0.00 C +ATOM 1247 HA GLU 77 15.538 33.382 23.972 1.00 0.00 H +ATOM 1248 CB GLU 77 17.440 34.100 23.400 1.00 0.00 C +ATOM 1249 HB1 GLU 77 17.480 34.778 24.278 1.00 0.00 H +ATOM 1250 HB2 GLU 77 18.436 33.662 23.172 1.00 0.00 H +ATOM 1251 CG GLU 77 17.030 35.040 22.180 1.00 0.00 C +ATOM 1252 HG1 GLU 77 16.910 34.530 21.200 1.00 0.00 H +ATOM 1253 HG2 GLU 77 16.052 35.468 22.490 1.00 0.00 H +ATOM 1254 CD GLU 77 18.060 36.140 21.880 1.00 0.00 C +ATOM 1255 OE1 GLU 77 18.990 36.430 22.700 1.00 0.00 O +ATOM 1256 OE2 GLU 77 17.960 36.740 20.810 1.00 0.00 O +ATOM 1257 C GLU 77 16.280 32.140 22.370 1.00 0.00 C +ATOM 1258 O GLU 77 15.180 32.120 21.780 1.00 0.00 O +ATOM 1259 N ALA 78 17.300 31.350 22.100 1.00 0.00 N +ATOM 1260 HN ALA 78 18.108 31.430 22.678 1.00 0.00 H +ATOM 1261 CA ALA 78 17.310 30.380 21.000 1.00 0.00 C +ATOM 1262 HA ALA 78 17.008 30.982 20.156 1.00 0.00 H +ATOM 1263 CB ALA 78 18.730 29.728 20.720 1.00 0.00 C +ATOM 1264 HB1 ALA 78 19.022 29.188 21.644 1.00 0.00 H +ATOM 1265 HB2 ALA 78 18.870 29.062 19.842 1.00 0.00 H +ATOM 1266 HB3 ALA 78 19.508 30.518 20.620 1.00 0.00 H +ATOM 1267 C ALA 78 16.250 29.190 21.180 1.00 0.00 C +ATOM 1268 O ALA 78 15.500 28.850 20.280 1.00 0.00 O +ATOM 1269 N LYS 79 16.130 28.590 22.360 1.00 0.00 N +ATOM 1270 HN LYS 79 16.778 28.708 23.108 1.00 0.00 H +ATOM 1271 CA LYS 79 15.040 27.700 22.770 1.00 0.00 C +ATOM 1272 HA LYS 79 15.160 26.818 22.158 1.00 0.00 H +ATOM 1273 CB LYS 79 15.140 27.140 24.320 1.00 0.00 C +ATOM 1274 HB1 LYS 79 16.092 26.568 24.350 1.00 0.00 H +ATOM 1275 HB2 LYS 79 15.280 28.000 25.010 1.00 0.00 H +ATOM 1276 CG LYS 79 13.950 26.310 24.710 1.00 0.00 C +ATOM 1277 HG1 LYS 79 13.046 26.954 24.690 1.00 0.00 H +ATOM 1278 HG2 LYS 79 13.910 25.418 24.048 1.00 0.00 H +ATOM 1279 CD LYS 79 14.130 25.820 26.110 1.00 0.00 C +ATOM 1280 HD1 LYS 79 15.090 25.260 26.140 1.00 0.00 H +ATOM 1281 HD2 LYS 79 14.290 26.668 26.810 1.00 0.00 H +ATOM 1282 CE LYS 79 13.180 24.750 26.580 1.00 0.00 C +ATOM 1283 HE1 LYS 79 13.270 23.766 26.068 1.00 0.00 H +ATOM 1284 HE2 LYS 79 13.110 24.540 27.668 1.00 0.00 H +ATOM 1285 NZ LYS 79 11.820 25.280 26.200 1.00 0.00 N +ATOM 1286 HZ1 LYS 79 11.542 25.100 25.214 1.00 0.00 H +ATOM 1287 HZ2 LYS 79 11.128 24.890 26.872 1.00 0.00 H +ATOM 1288 HZ3 LYS 79 11.820 26.312 26.320 1.00 0.00 H +ATOM 1289 C LYS 79 13.640 28.240 22.380 1.00 0.00 C +ATOM 1290 O LYS 79 12.800 27.550 21.830 1.00 0.00 O +ATOM 1291 N ALA 80 13.420 29.560 22.540 1.00 0.00 N +ATOM 1292 HN ALA 80 14.142 30.042 23.032 1.00 0.00 H +ATOM 1293 CA ALA 80 12.170 30.220 22.390 1.00 0.00 C +ATOM 1294 HA ALA 80 11.460 29.528 22.820 1.00 0.00 H +ATOM 1295 CB ALA 80 11.990 31.440 23.300 1.00 0.00 C +ATOM 1296 HB1 ALA 80 11.650 31.040 24.280 1.00 0.00 H +ATOM 1297 HB2 ALA 80 12.884 32.006 23.638 1.00 0.00 H +ATOM 1298 HB3 ALA 80 11.230 32.140 22.890 1.00 0.00 H +ATOM 1299 C ALA 80 11.900 30.510 20.940 1.00 0.00 C +ATOM 1300 O ALA 80 10.780 30.760 20.550 1.00 0.00 O +ATOM 1301 N GLU 81 12.920 30.430 20.060 1.00 0.00 N +ATOM 1302 HN GLU 81 13.862 30.370 20.380 1.00 0.00 H +ATOM 1303 CA GLU 81 12.650 30.820 18.700 1.00 0.00 C +ATOM 1304 HA GLU 81 11.744 31.404 18.640 1.00 0.00 H +ATOM 1305 CB GLU 81 13.870 31.510 17.970 1.00 0.00 C +ATOM 1306 HB1 GLU 81 14.726 30.904 18.338 1.00 0.00 H +ATOM 1307 HB2 GLU 81 13.740 31.440 16.870 1.00 0.00 H +ATOM 1308 CG GLU 81 14.170 32.960 18.360 1.00 0.00 C +ATOM 1309 HG1 GLU 81 14.410 32.840 19.438 1.00 0.00 H +ATOM 1310 HG2 GLU 81 15.052 33.442 17.888 1.00 0.00 H +ATOM 1311 CD GLU 81 12.950 33.810 18.180 1.00 0.00 C +ATOM 1312 OE1 GLU 81 12.280 33.640 17.100 1.00 0.00 O +ATOM 1313 OE2 GLU 81 12.570 34.630 19.050 1.00 0.00 O +ATOM 1314 C GLU 81 12.490 29.480 17.950 1.00 0.00 C +ATOM 1315 O GLU 81 12.600 29.540 16.720 1.00 0.00 O +ATOM 1316 N GLY 82 12.440 28.310 18.600 1.00 0.00 N +ATOM 1317 HN GLY 82 12.430 28.278 19.596 1.00 0.00 H +ATOM 1318 CA GLY 82 12.200 27.028 17.910 1.00 0.00 C +ATOM 1319 HA1 GLY 82 11.358 26.578 18.412 1.00 0.00 H +ATOM 1320 HA2 GLY 82 11.910 27.270 16.898 1.00 0.00 H +ATOM 1321 C GLY 82 13.310 26.070 17.800 1.00 0.00 C +ATOM 1322 O GLY 82 13.230 24.970 17.250 1.00 0.00 O +ATOM 1323 N CYS 83 14.390 26.400 18.380 1.00 0.00 N +ATOM 1324 HN CYS 83 14.630 27.272 18.800 1.00 0.00 H +ATOM 1325 CA CYS 83 15.540 25.500 18.570 1.00 0.00 C +ATOM 1326 HA CYS 83 15.872 25.056 17.644 1.00 0.00 H +ATOM 1327 CB CYS 83 16.810 26.290 19.000 1.00 0.00 C +ATOM 1328 HB1 CYS 83 16.820 26.610 20.064 1.00 0.00 H +ATOM 1329 HB2 CYS 83 17.590 25.500 19.070 1.00 0.00 H +ATOM 1330 SG CYS 83 17.300 27.440 17.690 1.00 0.00 S +ATOM 1331 HG1 CYS 83 18.002 26.518 17.048 1.00 0.00 H +ATOM 1332 C CYS 83 15.090 24.450 19.550 1.00 0.00 C +ATOM 1333 O CYS 83 14.460 24.730 20.520 1.00 0.00 O +ATOM 1334 N ASP 84 15.450 23.240 19.210 1.00 0.00 N +ATOM 1335 HN ASP 84 16.030 22.960 18.450 1.00 0.00 H +ATOM 1336 CA ASP 84 15.110 22.070 20.090 1.00 0.00 C +ATOM 1337 HA ASP 84 14.228 22.380 20.630 1.00 0.00 H +ATOM 1338 CB ASP 84 14.840 20.830 19.160 1.00 0.00 C +ATOM 1339 HB1 ASP 84 14.232 21.140 18.282 1.00 0.00 H +ATOM 1340 HB2 ASP 84 15.816 20.408 18.838 1.00 0.00 H +ATOM 1341 CG ASP 84 14.100 19.720 19.900 1.00 0.00 C +ATOM 1342 OD1 ASP 84 13.600 20.020 21.020 1.00 0.00 O +ATOM 1343 OD2 ASP 84 13.890 18.670 19.320 1.00 0.00 O +ATOM 1344 C ASP 84 16.160 21.798 21.120 1.00 0.00 C +ATOM 1345 O ASP 84 17.090 21.060 20.790 1.00 0.00 O +ATOM 1346 N ILE 85 16.020 22.370 22.320 1.00 0.00 N +ATOM 1347 HN ILE 85 15.148 22.842 22.420 1.00 0.00 H +ATOM 1348 CA ILE 85 17.030 22.450 23.370 1.00 0.00 C +ATOM 1349 HA ILE 85 17.776 21.732 23.062 1.00 0.00 H +ATOM 1350 CB ILE 85 17.680 23.900 23.410 1.00 0.00 C +ATOM 1351 HB ILE 85 16.914 24.646 23.712 1.00 0.00 H +ATOM 1352 CG2 ILE 85 18.770 24.040 24.570 1.00 0.00 C +ATOM 1353 1HG2 ILE 85 18.940 25.120 24.770 1.00 0.00 H +ATOM 1354 2HG2 ILE 85 18.600 23.482 25.516 1.00 0.00 H +ATOM 1355 3HG2 ILE 85 19.788 23.728 24.258 1.00 0.00 H +ATOM 1356 CG1 ILE 85 18.270 24.340 22.080 1.00 0.00 C +ATOM 1357 1HG1 ILE 85 19.078 23.602 21.880 1.00 0.00 H +ATOM 1358 2HG1 ILE 85 17.504 24.220 21.284 1.00 0.00 H +ATOM 1359 CD ILE 85 18.840 25.740 22.080 1.00 0.00 C +ATOM 1360 HD1 ILE 85 19.788 25.860 22.648 1.00 0.00 H +ATOM 1361 HD2 ILE 85 19.030 25.970 21.010 1.00 0.00 H +ATOM 1362 HD3 ILE 85 18.192 26.548 22.480 1.00 0.00 H +ATOM 1363 C ILE 85 16.410 22.080 24.690 1.00 0.00 C +ATOM 1364 O ILE 85 15.450 22.730 25.180 1.00 0.00 O +ATOM 1365 N THR 86 16.960 21.020 25.350 1.00 0.00 N +ATOM 1366 HN THR 86 17.576 20.354 24.936 1.00 0.00 H +ATOM 1367 CA THR 86 16.670 20.760 26.740 1.00 0.00 C +ATOM 1368 HA THR 86 15.632 21.030 26.860 1.00 0.00 H +ATOM 1369 CB THR 86 16.560 19.260 27.090 1.00 0.00 C +ATOM 1370 HB THR 86 17.598 18.862 27.110 1.00 0.00 H +ATOM 1371 OG1 THR 86 15.790 18.630 26.050 1.00 0.00 O +ATOM 1372 HG1 THR 86 15.910 19.072 25.206 1.00 0.00 H +ATOM 1373 CG2 THR 86 15.840 19.000 28.360 1.00 0.00 C +ATOM 1374 1HG2 THR 86 16.288 19.496 29.246 1.00 0.00 H +ATOM 1375 2HG2 THR 86 14.776 19.318 28.350 1.00 0.00 H +ATOM 1376 3HG2 THR 86 15.930 17.926 28.630 1.00 0.00 H +ATOM 1377 C THR 86 17.550 21.490 27.640 1.00 0.00 C +ATOM 1378 O THR 86 18.780 21.320 27.600 1.00 0.00 O +ATOM 1379 N ILE 87 16.980 22.440 28.500 1.00 0.00 N +ATOM 1380 HN ILE 87 15.994 22.588 28.500 1.00 0.00 H +ATOM 1381 CA ILE 87 17.820 23.150 29.460 1.00 0.00 C +ATOM 1382 HA ILE 87 18.852 23.140 29.140 1.00 0.00 H +ATOM 1383 CB ILE 87 17.450 24.660 29.420 1.00 0.00 C +ATOM 1384 HB ILE 87 16.342 24.740 29.410 1.00 0.00 H +ATOM 1385 CG2 ILE 87 18.310 25.410 30.460 1.00 0.00 C +ATOM 1386 1HG2 ILE 87 18.230 24.922 31.456 1.00 0.00 H +ATOM 1387 2HG2 ILE 87 19.394 25.450 30.222 1.00 0.00 H +ATOM 1388 3HG2 ILE 87 18.070 26.492 30.510 1.00 0.00 H +ATOM 1389 CG1 ILE 87 17.780 25.110 27.970 1.00 0.00 C +ATOM 1390 1HG1 ILE 87 18.868 24.920 27.850 1.00 0.00 H +ATOM 1391 2HG1 ILE 87 17.312 24.504 27.164 1.00 0.00 H +ATOM 1392 CD ILE 87 17.570 26.620 27.710 1.00 0.00 C +ATOM 1393 HD1 ILE 87 18.002 26.810 26.704 1.00 0.00 H +ATOM 1394 HD2 ILE 87 16.502 26.922 27.750 1.00 0.00 H +ATOM 1395 HD3 ILE 87 18.108 27.218 28.478 1.00 0.00 H +ATOM 1396 C ILE 87 17.700 22.550 30.910 1.00 0.00 C +ATOM 1397 O ILE 87 16.820 22.990 31.670 1.00 0.00 O +ATOM 1398 N ILE 88 18.620 21.630 31.340 1.00 0.00 N +ATOM 1399 HN ILE 88 19.436 21.430 30.802 1.00 0.00 H +ATOM 1400 CA ILE 88 18.570 21.110 32.710 1.00 0.00 C +ATOM 1401 HA ILE 88 17.550 21.200 33.050 1.00 0.00 H +ATOM 1402 CB ILE 88 19.030 19.590 32.830 1.00 0.00 C +ATOM 1403 HB ILE 88 20.086 19.500 32.498 1.00 0.00 H +ATOM 1404 CG2 ILE 88 18.920 19.150 34.290 1.00 0.00 C +ATOM 1405 1HG2 ILE 88 18.064 19.638 34.806 1.00 0.00 H +ATOM 1406 2HG2 ILE 88 18.960 18.068 34.540 1.00 0.00 H +ATOM 1407 3HG2 ILE 88 19.740 19.700 34.800 1.00 0.00 H +ATOM 1408 CG1 ILE 88 18.260 18.650 31.900 1.00 0.00 C +ATOM 1409 1HG1 ILE 88 17.284 18.420 32.378 1.00 0.00 H +ATOM 1410 2HG1 ILE 88 18.050 19.190 30.952 1.00 0.00 H +ATOM 1411 CD ILE 88 18.980 17.340 31.590 1.00 0.00 C +ATOM 1412 HD1 ILE 88 19.330 16.730 32.450 1.00 0.00 H +ATOM 1413 HD2 ILE 88 18.330 16.650 31.010 1.00 0.00 H +ATOM 1414 HD3 ILE 88 19.890 17.520 30.980 1.00 0.00 H +ATOM 1415 C ILE 88 19.460 21.940 33.560 1.00 0.00 C +ATOM 1416 O ILE 88 20.640 22.180 33.210 1.00 0.00 O +ATOM 1417 N LEU 89 18.870 22.640 34.610 1.00 0.00 N +ATOM 1418 HN LEU 89 17.910 22.610 34.880 1.00 0.00 H +ATOM 1419 CA LEU 89 19.660 23.290 35.550 1.00 0.00 C +ATOM 1420 HA LEU 89 20.688 23.370 35.230 1.00 0.00 H +ATOM 1421 CB LEU 89 19.050 24.758 35.800 1.00 0.00 C +ATOM 1422 HB1 LEU 89 18.006 24.700 36.178 1.00 0.00 H +ATOM 1423 HB2 LEU 89 19.598 25.338 36.576 1.00 0.00 H +ATOM 1424 CG LEU 89 18.960 25.620 34.560 1.00 0.00 C +ATOM 1425 HG LEU 89 18.268 25.188 33.806 1.00 0.00 H +ATOM 1426 CD1 LEU 89 18.480 27.020 34.960 1.00 0.00 C +ATOM 1427 1HD1 LEU 89 17.448 27.040 35.370 1.00 0.00 H +ATOM 1428 2HD1 LEU 89 19.188 27.578 35.608 1.00 0.00 H +ATOM 1429 3HD1 LEU 89 18.390 27.628 34.034 1.00 0.00 H +ATOM 1430 CD2 LEU 89 20.360 25.830 33.950 1.00 0.00 C +ATOM 1431 1HD2 LEU 89 20.860 24.910 33.580 1.00 0.00 H +ATOM 1432 2HD2 LEU 89 20.320 26.582 33.136 1.00 0.00 H +ATOM 1433 3HD2 LEU 89 21.088 26.230 34.688 1.00 0.00 H +ATOM 1434 C LEU 89 19.620 22.530 36.830 1.00 0.00 C +ATOM 1435 O LEU 89 18.610 21.880 37.040 1.00 0.00 O +ATOM 1436 N SER 90 20.700 22.430 37.580 1.00 0.00 N +ATOM 1437 HN SER 90 21.600 22.730 37.270 1.00 0.00 H +ATOM 1438 CA SER 90 20.700 21.710 38.850 1.00 0.00 C +ATOM 1439 HA SER 90 19.776 21.780 39.402 1.00 0.00 H +ATOM 1440 CB SER 90 20.980 20.180 38.680 1.00 0.00 C +ATOM 1441 HB1 SER 90 20.980 19.720 39.690 1.00 0.00 H +ATOM 1442 HB2 SER 90 20.144 19.770 38.072 1.00 0.00 H +ATOM 1443 OG SER 90 22.300 19.910 38.090 1.00 0.00 O +ATOM 1444 HG1 SER 90 22.420 20.402 37.276 1.00 0.00 H +ATOM 1445 C SER 90 21.740 22.370 39.780 1.00 0.00 C +ATOM 1446 OT1 SER 90 21.720 22.000 41.010 1.00 0.00 O +ATOM 1447 OT2 SER 90 22.560 23.240 39.340 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1b2s_F.pdb b/data/PDBs/1b2s_F.pdb new file mode 100644 index 0000000000000000000000000000000000000000..922e05a8ef07e72e314f066a40e25c33b08f80ac --- /dev/null +++ b/data/PDBs/1b2s_F.pdb @@ -0,0 +1,1454 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 51.339 56.469 48.245 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N MET 1 38.620 25.570 36.000 1.00 0.00 N +ATOM 2 H1 MET 1 37.698 25.570 36.482 1.00 0.00 H +ATOM 3 H2 MET 1 39.212 24.838 36.442 1.00 0.00 H +ATOM 4 H3 MET 1 39.170 26.450 36.070 1.00 0.00 H +ATOM 5 CA MET 1 38.490 25.120 34.590 1.00 0.00 C +ATOM 6 HA MET 1 39.484 24.848 34.268 1.00 0.00 H +ATOM 7 CB MET 1 37.600 23.790 34.630 1.00 0.00 C +ATOM 8 HB1 MET 1 36.650 23.970 35.180 1.00 0.00 H +ATOM 9 HB2 MET 1 37.408 23.478 33.582 1.00 0.00 H +ATOM 10 CG MET 1 38.390 22.500 35.230 1.00 0.00 C +ATOM 11 HG1 MET 1 39.452 22.650 34.940 1.00 0.00 H +ATOM 12 HG2 MET 1 38.290 22.712 36.316 1.00 0.00 H +ATOM 13 SD MET 1 37.790 20.900 34.980 1.00 0.00 S +ATOM 14 CE MET 1 35.990 21.370 35.200 1.00 0.00 C +ATOM 15 HE1 MET 1 35.502 21.828 34.314 1.00 0.00 H +ATOM 16 HE2 MET 1 35.408 20.458 35.450 1.00 0.00 H +ATOM 17 HE3 MET 1 35.830 22.118 36.008 1.00 0.00 H +ATOM 18 C MET 1 37.990 26.110 33.560 1.00 0.00 C +ATOM 19 O MET 1 37.450 27.140 33.860 1.00 0.00 O +ATOM 20 N LYS 2 38.100 25.770 32.280 1.00 0.00 N +ATOM 21 HN LYS 2 38.562 24.926 32.018 1.00 0.00 H +ATOM 22 CA LYS 2 37.570 26.470 31.130 1.00 0.00 C +ATOM 23 HA LYS 2 37.968 27.474 31.130 1.00 0.00 H +ATOM 24 CB LYS 2 37.930 25.710 29.850 1.00 0.00 C +ATOM 25 HB1 LYS 2 39.032 25.650 29.730 1.00 0.00 H +ATOM 26 HB2 LYS 2 37.470 24.700 29.800 1.00 0.00 H +ATOM 27 CG LYS 2 37.500 26.460 28.550 1.00 0.00 C +ATOM 28 HG1 LYS 2 36.392 26.430 28.480 1.00 0.00 H +ATOM 29 HG2 LYS 2 37.680 27.556 28.570 1.00 0.00 H +ATOM 30 CD LYS 2 37.970 25.730 27.240 1.00 0.00 C +ATOM 31 HD1 LYS 2 37.642 26.408 26.422 1.00 0.00 H +ATOM 32 HD2 LYS 2 39.074 25.610 27.190 1.00 0.00 H +ATOM 33 CE LYS 2 37.300 24.330 26.940 1.00 0.00 C +ATOM 34 HE1 LYS 2 37.722 23.514 27.564 1.00 0.00 H +ATOM 35 HE2 LYS 2 36.234 24.470 27.220 1.00 0.00 H +ATOM 36 NZ LYS 2 37.420 23.980 25.520 1.00 0.00 N +ATOM 37 HZ1 LYS 2 37.012 23.026 25.430 1.00 0.00 H +ATOM 38 HZ2 LYS 2 36.990 24.670 24.870 1.00 0.00 H +ATOM 39 HZ3 LYS 2 38.392 23.910 25.160 1.00 0.00 H +ATOM 40 C LYS 2 36.100 26.620 31.230 1.00 0.00 C +ATOM 41 O LYS 2 35.360 25.630 31.380 1.00 0.00 O +ATOM 42 N LYS 3 35.610 27.880 31.180 1.00 0.00 N +ATOM 43 HN LYS 3 36.174 28.656 30.908 1.00 0.00 H +ATOM 44 CA LYS 3 34.210 28.120 31.370 1.00 0.00 C +ATOM 45 HA LYS 3 33.620 27.220 31.450 1.00 0.00 H +ATOM 46 CB LYS 3 34.070 28.700 32.790 1.00 0.00 C +ATOM 47 HB1 LYS 3 34.240 27.914 33.556 1.00 0.00 H +ATOM 48 HB2 LYS 3 34.802 29.522 32.940 1.00 0.00 H +ATOM 49 CG LYS 3 32.630 29.120 33.170 1.00 0.00 C +ATOM 50 HG1 LYS 3 32.300 29.918 32.472 1.00 0.00 H +ATOM 51 HG2 LYS 3 31.990 28.240 32.950 1.00 0.00 H +ATOM 52 CD LYS 3 32.550 29.580 34.640 1.00 0.00 C +ATOM 53 HD1 LYS 3 31.498 29.860 34.860 1.00 0.00 H +ATOM 54 HD2 LYS 3 32.858 28.714 35.266 1.00 0.00 H +ATOM 55 CE LYS 3 33.420 30.760 35.110 1.00 0.00 C +ATOM 56 HE1 LYS 3 33.350 30.790 36.218 1.00 0.00 H +ATOM 57 HE2 LYS 3 34.478 30.550 34.840 1.00 0.00 H +ATOM 58 NZ LYS 3 32.990 32.100 34.550 1.00 0.00 N +ATOM 59 HZ1 LYS 3 33.462 32.812 35.142 1.00 0.00 H +ATOM 60 HZ2 LYS 3 33.348 32.160 33.576 1.00 0.00 H +ATOM 61 HZ3 LYS 3 31.962 32.200 34.670 1.00 0.00 H +ATOM 62 C LYS 3 33.700 29.110 30.340 1.00 0.00 C +ATOM 63 O LYS 3 34.390 30.110 30.010 1.00 0.00 O +ATOM 64 N ALA 4 32.490 28.820 29.800 1.00 0.00 N +ATOM 65 HN ALA 4 32.044 27.936 29.920 1.00 0.00 H +ATOM 66 CA ALA 4 31.760 29.710 28.870 1.00 0.00 C +ATOM 67 HA ALA 4 32.430 30.460 28.480 1.00 0.00 H +ATOM 68 CB ALA 4 31.250 28.830 27.720 1.00 0.00 C +ATOM 69 HB1 ALA 4 32.120 28.290 27.290 1.00 0.00 H +ATOM 70 HB2 ALA 4 30.576 28.066 28.162 1.00 0.00 H +ATOM 71 HB3 ALA 4 30.732 29.358 26.892 1.00 0.00 H +ATOM 72 C ALA 4 30.550 30.380 29.550 1.00 0.00 C +ATOM 73 O ALA 4 29.680 29.720 30.170 1.00 0.00 O +ATOM 74 N VAL 5 30.450 31.710 29.460 1.00 0.00 N +ATOM 75 HN VAL 5 31.166 32.186 28.954 1.00 0.00 H +ATOM 76 CA VAL 5 29.480 32.450 30.230 1.00 0.00 C +ATOM 77 HA VAL 5 28.760 31.790 30.690 1.00 0.00 H +ATOM 78 CB VAL 5 30.080 33.320 31.310 1.00 0.00 C +ATOM 79 HB VAL 5 30.680 32.750 32.050 1.00 0.00 H +ATOM 80 CG1 VAL 5 31.050 34.330 30.670 1.00 0.00 C +ATOM 81 1HG1 VAL 5 31.360 35.000 31.500 1.00 0.00 H +ATOM 82 2HG1 VAL 5 31.858 33.942 30.012 1.00 0.00 H +ATOM 83 3HG1 VAL 5 30.580 34.980 29.900 1.00 0.00 H +ATOM 84 CG2 VAL 5 28.920 34.100 32.040 1.00 0.00 C +ATOM 85 1HG2 VAL 5 28.048 33.438 32.230 1.00 0.00 H +ATOM 86 2HG2 VAL 5 29.130 34.632 32.992 1.00 0.00 H +ATOM 87 3HG2 VAL 5 28.490 34.868 31.362 1.00 0.00 H +ATOM 88 C VAL 5 28.660 33.260 29.250 1.00 0.00 C +ATOM 89 O VAL 5 29.110 34.030 28.370 1.00 0.00 O +ATOM 90 N ILE 6 27.310 33.170 29.410 1.00 0.00 N +ATOM 91 HN ILE 6 26.888 32.588 30.102 1.00 0.00 H +ATOM 92 CA ILE 6 26.350 34.040 28.660 1.00 0.00 C +ATOM 93 HA ILE 6 26.810 34.590 27.852 1.00 0.00 H +ATOM 94 CB ILE 6 25.310 33.210 27.940 1.00 0.00 C +ATOM 95 HB ILE 6 24.802 32.542 28.668 1.00 0.00 H +ATOM 96 CG2 ILE 6 24.360 34.220 27.440 1.00 0.00 C +ATOM 97 1HG2 ILE 6 24.908 35.008 26.882 1.00 0.00 H +ATOM 98 2HG2 ILE 6 23.610 33.790 26.740 1.00 0.00 H +ATOM 99 3HG2 ILE 6 23.790 34.720 28.250 1.00 0.00 H +ATOM 100 CG1 ILE 6 26.020 32.260 26.890 1.00 0.00 C +ATOM 101 1HG1 ILE 6 26.462 32.832 26.046 1.00 0.00 H +ATOM 102 2HG1 ILE 6 26.800 31.680 27.430 1.00 0.00 H +ATOM 103 CD ILE 6 25.110 31.260 26.320 1.00 0.00 C +ATOM 104 HD1 ILE 6 25.658 30.602 25.612 1.00 0.00 H +ATOM 105 HD2 ILE 6 24.720 30.690 27.190 1.00 0.00 H +ATOM 106 HD3 ILE 6 24.276 31.732 25.758 1.00 0.00 H +ATOM 107 C ILE 6 25.700 34.980 29.720 1.00 0.00 C +ATOM 108 O ILE 6 24.990 34.490 30.640 1.00 0.00 O +ATOM 109 N ASN 7 25.870 36.300 29.610 1.00 0.00 N +ATOM 110 HN ASN 7 26.562 36.620 28.968 1.00 0.00 H +ATOM 111 CA ASN 7 25.070 37.290 30.400 1.00 0.00 C +ATOM 112 HA ASN 7 24.688 36.958 31.354 1.00 0.00 H +ATOM 113 CB ASN 7 25.810 38.530 30.770 1.00 0.00 C +ATOM 114 HB1 ASN 7 26.310 39.040 29.920 1.00 0.00 H +ATOM 115 HB2 ASN 7 25.218 39.252 31.372 1.00 0.00 H +ATOM 116 CG ASN 7 26.980 38.060 31.680 1.00 0.00 C +ATOM 117 OD1 ASN 7 26.810 37.950 32.820 1.00 0.00 O +ATOM 118 ND2 ASN 7 28.190 37.890 31.050 1.00 0.00 N +ATOM 119 1HD2 ASN 7 28.310 38.100 30.080 1.00 0.00 H +ATOM 120 2HD2 ASN 7 28.980 37.730 31.640 1.00 0.00 H +ATOM 121 C ASN 7 23.840 37.690 29.550 1.00 0.00 C +ATOM 122 O ASN 7 23.850 38.610 28.710 1.00 0.00 O +ATOM 123 N GLY 8 22.690 36.980 29.880 1.00 0.00 N +ATOM 124 HN GLY 8 22.790 36.212 30.508 1.00 0.00 H +ATOM 125 CA GLY 8 21.340 37.060 29.230 1.00 0.00 C +ATOM 126 HA1 GLY 8 21.530 36.750 28.212 1.00 0.00 H +ATOM 127 HA2 GLY 8 20.706 36.426 29.832 1.00 0.00 H +ATOM 128 C GLY 8 20.760 38.440 29.120 1.00 0.00 C +ATOM 129 O GLY 8 20.120 38.770 28.130 1.00 0.00 O +ATOM 130 N GLU 9 21.100 39.360 30.110 1.00 0.00 N +ATOM 131 HN GLU 9 21.698 39.240 30.898 1.00 0.00 H +ATOM 132 CA GLU 9 20.620 40.730 29.920 1.00 0.00 C +ATOM 133 HA GLU 9 19.580 40.640 29.640 1.00 0.00 H +ATOM 134 CB GLU 9 20.660 41.490 31.300 1.00 0.00 C +ATOM 135 HB1 GLU 9 19.908 42.304 31.230 1.00 0.00 H +ATOM 136 HB2 GLU 9 20.332 40.734 32.046 1.00 0.00 H +ATOM 137 CG GLU 9 21.960 42.150 31.750 1.00 0.00 C +ATOM 138 HG1 GLU 9 22.268 42.838 30.932 1.00 0.00 H +ATOM 139 HG2 GLU 9 21.708 42.522 32.766 1.00 0.00 H +ATOM 140 CD GLU 9 23.080 41.230 32.120 1.00 0.00 C +ATOM 141 OE1 GLU 9 22.840 40.000 32.310 1.00 0.00 O +ATOM 142 OE2 GLU 9 24.220 41.730 32.240 1.00 0.00 O +ATOM 143 C GLU 9 21.330 41.560 28.880 1.00 0.00 C +ATOM 144 O GLU 9 20.820 42.510 28.290 1.00 0.00 O +ATOM 145 N GLN 10 22.560 41.120 28.520 1.00 0.00 N +ATOM 146 HN GLN 10 22.960 40.382 29.058 1.00 0.00 H +ATOM 147 CA GLN 10 23.320 41.720 27.450 1.00 0.00 C +ATOM 148 HA GLN 10 23.170 42.780 27.600 1.00 0.00 H +ATOM 149 CB GLN 10 24.860 41.390 27.490 1.00 0.00 C +ATOM 150 HB1 GLN 10 24.960 40.288 27.390 1.00 0.00 H +ATOM 151 HB2 GLN 10 25.278 41.918 26.604 1.00 0.00 H +ATOM 152 CG GLN 10 25.590 41.890 28.780 1.00 0.00 C +ATOM 153 HG1 GLN 10 25.272 41.272 29.648 1.00 0.00 H +ATOM 154 HG2 GLN 10 26.696 41.800 28.780 1.00 0.00 H +ATOM 155 CD GLN 10 25.340 43.420 29.010 1.00 0.00 C +ATOM 156 OE1 GLN 10 25.610 44.330 28.180 1.00 0.00 O +ATOM 157 NE2 GLN 10 24.580 43.720 30.040 1.00 0.00 N +ATOM 158 1HE2 GLN 10 24.560 43.172 30.876 1.00 0.00 H +ATOM 159 2HE2 GLN 10 24.022 44.548 29.980 1.00 0.00 H +ATOM 160 C GLN 10 22.820 41.240 26.040 1.00 0.00 C +ATOM 161 O GLN 10 22.890 42.010 25.060 1.00 0.00 O +ATOM 162 N ILE 11 22.230 40.000 25.960 1.00 0.00 N +ATOM 163 HN ILE 11 22.040 39.512 26.808 1.00 0.00 H +ATOM 164 CA ILE 11 21.650 39.400 24.770 1.00 0.00 C +ATOM 165 HA ILE 11 22.392 39.430 23.988 1.00 0.00 H +ATOM 166 CB ILE 11 21.330 37.930 25.000 1.00 0.00 C +ATOM 167 HB ILE 11 20.456 37.880 25.684 1.00 0.00 H +ATOM 168 CG2 ILE 11 21.030 37.260 23.590 1.00 0.00 C +ATOM 169 1HG2 ILE 11 20.970 36.154 23.670 1.00 0.00 H +ATOM 170 2HG2 ILE 11 20.060 37.610 23.180 1.00 0.00 H +ATOM 171 3HG2 ILE 11 21.770 37.670 22.870 1.00 0.00 H +ATOM 172 CG1 ILE 11 22.430 37.080 25.660 1.00 0.00 C +ATOM 173 1HG1 ILE 11 22.450 37.500 26.688 1.00 0.00 H +ATOM 174 2HG1 ILE 11 22.090 36.032 25.810 1.00 0.00 H +ATOM 175 CD ILE 11 23.720 37.100 24.860 1.00 0.00 C +ATOM 176 HD1 ILE 11 24.504 36.618 25.482 1.00 0.00 H +ATOM 177 HD2 ILE 11 23.720 36.610 23.862 1.00 0.00 H +ATOM 178 HD3 ILE 11 24.072 38.138 24.678 1.00 0.00 H +ATOM 179 C ILE 11 20.510 40.120 24.240 1.00 0.00 C +ATOM 180 O ILE 11 19.490 40.190 24.950 1.00 0.00 O +ATOM 181 N ARG 12 20.670 40.760 23.030 1.00 0.00 N +ATOM 182 HN ARG 12 21.474 40.690 22.444 1.00 0.00 H +ATOM 183 CA ARG 12 19.540 41.480 22.410 1.00 0.00 C +ATOM 184 HA ARG 12 18.750 41.580 23.140 1.00 0.00 H +ATOM 185 CB ARG 12 19.870 42.970 21.930 1.00 0.00 C +ATOM 186 HB1 ARG 12 20.698 42.910 21.192 1.00 0.00 H +ATOM 187 HB2 ARG 12 19.042 43.408 21.332 1.00 0.00 H +ATOM 188 CG ARG 12 20.210 44.010 23.000 1.00 0.00 C +ATOM 189 HG1 ARG 12 21.172 43.588 23.360 1.00 0.00 H +ATOM 190 HG2 ARG 12 20.260 45.000 22.500 1.00 0.00 H +ATOM 191 CD ARG 12 19.240 43.970 24.170 1.00 0.00 C +ATOM 192 HD1 ARG 12 18.214 43.830 23.768 1.00 0.00 H +ATOM 193 HD2 ARG 12 19.510 43.098 24.802 1.00 0.00 H +ATOM 194 NE ARG 12 19.450 45.300 24.880 1.00 0.00 N +ATOM 195 HE ARG 12 20.050 45.340 25.680 1.00 0.00 H +ATOM 196 CZ ARG 12 18.760 46.400 24.640 1.00 0.00 C +ATOM 197 NH1 ARG 12 17.950 46.600 23.620 1.00 0.00 N +ATOM 198 1HH1 ARG 12 17.690 45.958 22.898 1.00 0.00 H +ATOM 199 2HH1 ARG 12 17.708 47.564 23.520 1.00 0.00 H +ATOM 200 NH2 ARG 12 18.880 47.420 25.460 1.00 0.00 N +ATOM 201 1HH2 ARG 12 19.438 47.270 26.276 1.00 0.00 H +ATOM 202 2HH2 ARG 12 18.186 48.134 25.360 1.00 0.00 H +ATOM 203 C ARG 12 19.000 40.660 21.190 1.00 0.00 C +ATOM 204 O ARG 12 17.950 41.080 20.620 1.00 0.00 O +ATOM 205 N SER 13 19.550 39.480 20.800 1.00 0.00 N +ATOM 206 HN SER 13 20.422 39.150 21.150 1.00 0.00 H +ATOM 207 CA SER 13 19.110 38.720 19.600 1.00 0.00 C +ATOM 208 HA SER 13 18.032 38.670 19.610 1.00 0.00 H +ATOM 209 CB SER 13 19.490 39.400 18.270 1.00 0.00 C +ATOM 210 HB1 SER 13 19.172 38.742 17.432 1.00 0.00 H +ATOM 211 HB2 SER 13 18.928 40.352 18.160 1.00 0.00 H +ATOM 212 OG SER 13 20.860 39.640 18.100 1.00 0.00 O +ATOM 213 HG1 SER 13 21.050 40.518 18.440 1.00 0.00 H +ATOM 214 C SER 13 19.650 37.290 19.540 1.00 0.00 C +ATOM 215 O SER 13 20.680 36.990 20.170 1.00 0.00 O +ATOM 216 N ILE 14 19.140 36.430 18.590 1.00 0.00 N +ATOM 217 HN ILE 14 18.230 36.580 18.210 1.00 0.00 H +ATOM 218 CA ILE 14 19.740 35.230 18.080 1.00 0.00 C +ATOM 219 HA ILE 14 19.950 34.648 18.964 1.00 0.00 H +ATOM 220 CB ILE 14 18.860 34.440 17.150 1.00 0.00 C +ATOM 221 HB ILE 14 17.898 34.380 17.702 1.00 0.00 H +ATOM 222 CG2 ILE 14 18.390 35.270 15.840 1.00 0.00 C +ATOM 223 1HG2 ILE 14 19.186 35.300 15.064 1.00 0.00 H +ATOM 224 2HG2 ILE 14 17.530 34.740 15.380 1.00 0.00 H +ATOM 225 3HG2 ILE 14 18.170 36.338 16.050 1.00 0.00 H +ATOM 226 CG1 ILE 14 19.270 33.130 16.840 1.00 0.00 C +ATOM 227 1HG1 ILE 14 18.430 32.730 16.230 1.00 0.00 H +ATOM 228 2HG1 ILE 14 20.144 33.190 16.158 1.00 0.00 H +ATOM 229 CD ILE 14 19.580 32.160 18.030 1.00 0.00 C +ATOM 230 HD1 ILE 14 18.728 32.160 18.742 1.00 0.00 H +ATOM 231 HD2 ILE 14 19.780 31.150 17.610 1.00 0.00 H +ATOM 232 HD3 ILE 14 20.468 32.540 18.580 1.00 0.00 H +ATOM 233 C ILE 14 21.160 35.370 17.420 1.00 0.00 C +ATOM 234 O ILE 14 22.100 34.610 17.620 1.00 0.00 O +ATOM 235 N SER 15 21.310 36.510 16.660 1.00 0.00 N +ATOM 236 HN SER 15 20.468 36.992 16.430 1.00 0.00 H +ATOM 237 CA SER 15 22.650 36.910 16.080 1.00 0.00 C +ATOM 238 HA SER 15 23.130 36.050 15.640 1.00 0.00 H +ATOM 239 CB SER 15 22.530 38.040 14.960 1.00 0.00 C +ATOM 240 HB1 SER 15 23.510 38.320 14.520 1.00 0.00 H +ATOM 241 HB2 SER 15 21.940 37.610 14.122 1.00 0.00 H +ATOM 242 OG SER 15 21.860 39.240 15.390 1.00 0.00 O +ATOM 243 HG1 SER 15 22.430 39.740 15.980 1.00 0.00 H +ATOM 244 C SER 15 23.610 37.210 17.250 1.00 0.00 C +ATOM 245 O SER 15 24.730 36.720 17.260 1.00 0.00 O +ATOM 246 N ASP 16 23.100 37.950 18.280 1.00 0.00 N +ATOM 247 HN ASP 16 22.270 38.480 18.130 1.00 0.00 H +ATOM 248 CA ASP 16 23.880 38.230 19.510 1.00 0.00 C +ATOM 249 HA ASP 16 24.814 38.652 19.168 1.00 0.00 H +ATOM 250 CB ASP 16 23.180 39.130 20.520 1.00 0.00 C +ATOM 251 HB1 ASP 16 22.260 38.710 20.980 1.00 0.00 H +ATOM 252 HB2 ASP 16 23.798 39.220 21.438 1.00 0.00 H +ATOM 253 CG ASP 16 23.010 40.550 20.100 1.00 0.00 C +ATOM 254 OD1 ASP 16 23.550 41.050 19.070 1.00 0.00 O +ATOM 255 OD2 ASP 16 22.340 41.250 20.890 1.00 0.00 O +ATOM 256 C ASP 16 24.270 36.950 20.350 1.00 0.00 C +ATOM 257 O ASP 16 25.350 36.880 20.920 1.00 0.00 O +ATOM 258 N LEU 17 23.300 36.000 20.530 1.00 0.00 N +ATOM 259 HN LEU 17 22.378 36.150 20.180 1.00 0.00 H +ATOM 260 CA LEU 17 23.570 34.790 21.280 1.00 0.00 C +ATOM 261 HA LEU 17 23.970 35.080 22.240 1.00 0.00 H +ATOM 262 CB LEU 17 22.130 33.990 21.410 1.00 0.00 C +ATOM 263 HB1 LEU 17 21.468 34.722 21.922 1.00 0.00 H +ATOM 264 HB2 LEU 17 21.800 33.800 20.366 1.00 0.00 H +ATOM 265 CG LEU 17 22.210 32.650 22.110 1.00 0.00 C +ATOM 266 HG LEU 17 22.634 31.904 21.404 1.00 0.00 H +ATOM 267 CD1 LEU 17 22.940 32.770 23.480 1.00 0.00 C +ATOM 268 1HD1 LEU 17 22.500 33.580 24.100 1.00 0.00 H +ATOM 269 2HD1 LEU 17 22.840 31.822 24.050 1.00 0.00 H +ATOM 270 3HD1 LEU 17 23.990 33.090 23.310 1.00 0.00 H +ATOM 271 CD2 LEU 17 20.790 32.000 22.330 1.00 0.00 C +ATOM 272 1HD2 LEU 17 20.068 32.572 22.952 1.00 0.00 H +ATOM 273 2HD2 LEU 17 20.360 31.940 21.308 1.00 0.00 H +ATOM 274 3HD2 LEU 17 21.020 31.006 22.772 1.00 0.00 H +ATOM 275 C LEU 17 24.610 33.980 20.660 1.00 0.00 C +ATOM 276 O LEU 17 25.600 33.650 21.310 1.00 0.00 O +ATOM 277 N HIS 18 24.500 33.720 19.350 1.00 0.00 N +ATOM 278 HN HIS 18 23.782 34.068 18.752 1.00 0.00 H +ATOM 279 CA HIS 18 25.560 32.900 18.690 1.00 0.00 C +ATOM 280 HA HIS 18 25.790 32.000 19.240 1.00 0.00 H +ATOM 281 CB HIS 18 25.030 32.520 17.320 1.00 0.00 C +ATOM 282 HB1 HIS 18 24.440 33.362 16.900 1.00 0.00 H +ATOM 283 HB2 HIS 18 25.878 32.350 16.622 1.00 0.00 H +ATOM 284 ND1 HIS 18 24.490 30.040 17.490 1.00 0.00 N +ATOM 285 HD1 HIS 18 25.444 29.760 17.600 1.00 0.00 H +ATOM 286 CG HIS 18 24.070 31.330 17.370 1.00 0.00 C +ATOM 287 CE1 HIS 18 23.410 29.240 17.490 1.00 0.00 C +ATOM 288 HE1 HIS 18 23.380 28.154 17.570 1.00 0.00 H +ATOM 289 NE2 HIS 18 22.310 29.990 17.300 1.00 0.00 N +ATOM 290 CD2 HIS 18 22.740 31.280 17.210 1.00 0.00 C +ATOM 291 HD2 HIS 18 21.996 31.984 16.858 1.00 0.00 H +ATOM 292 C HIS 18 26.920 33.630 18.470 1.00 0.00 C +ATOM 293 O HIS 18 28.010 33.000 18.530 1.00 0.00 O +ATOM 294 N GLN 19 26.980 34.990 18.340 1.00 0.00 N +ATOM 295 HN GLN 19 26.288 35.602 17.968 1.00 0.00 H +ATOM 296 CA GLN 19 28.240 35.710 18.570 1.00 0.00 C +ATOM 297 HA GLN 19 28.930 35.530 17.760 1.00 0.00 H +ATOM 298 CB GLN 19 27.860 37.190 18.350 1.00 0.00 C +ATOM 299 HB1 GLN 19 26.906 37.432 18.862 1.00 0.00 H +ATOM 300 HB2 GLN 19 28.636 37.818 18.838 1.00 0.00 H +ATOM 301 CG GLN 19 27.700 37.690 16.880 1.00 0.00 C +ATOM 302 HG1 GLN 19 28.620 37.960 16.320 1.00 0.00 H +ATOM 303 HG2 GLN 19 27.170 36.910 16.290 1.00 0.00 H +ATOM 304 CD GLN 19 26.830 38.930 16.760 1.00 0.00 C +ATOM 305 OE1 GLN 19 26.840 39.860 17.600 1.00 0.00 O +ATOM 306 NE2 GLN 19 26.110 39.070 15.610 1.00 0.00 N +ATOM 307 1HE2 GLN 19 26.190 38.384 14.886 1.00 0.00 H +ATOM 308 2HE2 GLN 19 25.730 39.960 15.360 1.00 0.00 H +ATOM 309 C GLN 19 28.940 35.530 19.890 1.00 0.00 C +ATOM 310 O GLN 19 30.150 35.390 19.980 1.00 0.00 O +ATOM 311 N THR 20 28.110 35.440 20.930 1.00 0.00 N +ATOM 312 HN THR 20 27.130 35.600 20.830 1.00 0.00 H +ATOM 313 CA THR 20 28.580 35.230 22.320 1.00 0.00 C +ATOM 314 HA THR 20 29.342 35.952 22.570 1.00 0.00 H +ATOM 315 CB THR 20 27.450 35.400 23.300 1.00 0.00 C +ATOM 316 HB THR 20 26.610 34.700 23.110 1.00 0.00 H +ATOM 317 OG1 THR 20 27.050 36.740 23.310 1.00 0.00 O +ATOM 318 HG1 THR 20 26.570 36.930 22.500 1.00 0.00 H +ATOM 319 CG2 THR 20 28.090 35.180 24.690 1.00 0.00 C +ATOM 320 1HG2 THR 20 29.034 35.756 24.800 1.00 0.00 H +ATOM 321 2HG2 THR 20 27.390 35.610 25.440 1.00 0.00 H +ATOM 322 3HG2 THR 20 28.110 34.090 24.900 1.00 0.00 H +ATOM 323 C THR 20 29.180 33.900 22.550 1.00 0.00 C +ATOM 324 O THR 20 30.390 33.750 22.930 1.00 0.00 O +ATOM 325 N LEU 21 28.500 32.860 21.950 1.00 0.00 N +ATOM 326 HN LEU 21 27.672 33.120 21.460 1.00 0.00 H +ATOM 327 CA LEU 21 28.930 31.490 21.910 1.00 0.00 C +ATOM 328 HA LEU 21 29.312 31.188 22.874 1.00 0.00 H +ATOM 329 CB LEU 21 27.870 30.610 21.310 1.00 0.00 C +ATOM 330 HB1 LEU 21 27.390 30.950 20.368 1.00 0.00 H +ATOM 331 HB2 LEU 21 28.378 29.662 21.030 1.00 0.00 H +ATOM 332 CG LEU 21 26.620 30.240 22.160 1.00 0.00 C +ATOM 333 HG LEU 21 25.908 31.072 22.340 1.00 0.00 H +ATOM 334 CD1 LEU 21 25.840 29.140 21.450 1.00 0.00 C +ATOM 335 1HD1 LEU 21 26.508 28.252 21.410 1.00 0.00 H +ATOM 336 2HD1 LEU 21 25.008 28.820 22.112 1.00 0.00 H +ATOM 337 3HD1 LEU 21 25.420 29.410 20.458 1.00 0.00 H +ATOM 338 CD2 LEU 21 27.050 29.820 23.560 1.00 0.00 C +ATOM 339 1HD2 LEU 21 27.550 30.670 24.070 1.00 0.00 H +ATOM 340 2HD2 LEU 21 26.132 29.470 24.080 1.00 0.00 H +ATOM 341 3HD2 LEU 21 27.752 28.968 23.440 1.00 0.00 H +ATOM 342 C LEU 21 30.210 31.440 21.060 1.00 0.00 C +ATOM 343 O LEU 21 31.130 30.780 21.480 1.00 0.00 O +ATOM 344 N LYS 22 30.290 32.120 19.940 1.00 0.00 N +ATOM 345 HN LYS 22 29.548 32.580 19.460 1.00 0.00 H +ATOM 346 CA LYS 22 31.510 32.190 19.160 1.00 0.00 C +ATOM 347 HA LYS 22 31.700 31.248 18.668 1.00 0.00 H +ATOM 348 CB LYS 22 31.390 33.130 17.950 1.00 0.00 C +ATOM 349 HB1 LYS 22 30.648 32.678 17.258 1.00 0.00 H +ATOM 350 HB2 LYS 22 30.890 34.100 18.160 1.00 0.00 H +ATOM 351 CG LYS 22 32.630 33.330 17.020 1.00 0.00 C +ATOM 352 HG1 LYS 22 33.508 33.858 17.450 1.00 0.00 H +ATOM 353 HG2 LYS 22 32.960 32.312 16.720 1.00 0.00 H +ATOM 354 CD LYS 22 32.240 34.040 15.690 1.00 0.00 C +ATOM 355 HD1 LYS 22 31.320 33.630 15.220 1.00 0.00 H +ATOM 356 HD2 LYS 22 31.990 35.112 15.830 1.00 0.00 H +ATOM 357 CE LYS 22 33.300 33.950 14.580 1.00 0.00 C +ATOM 358 HE1 LYS 22 33.590 32.908 14.330 1.00 0.00 H +ATOM 359 HE2 LYS 22 33.110 34.452 13.608 1.00 0.00 H +ATOM 360 NZ LYS 22 34.550 34.610 15.100 1.00 0.00 N +ATOM 361 HZ1 LYS 22 35.070 33.920 15.680 1.00 0.00 H +ATOM 362 HZ2 LYS 22 35.088 34.968 14.284 1.00 0.00 H +ATOM 363 HZ3 LYS 22 34.310 35.340 15.800 1.00 0.00 H +ATOM 364 C LYS 22 32.730 32.630 19.930 1.00 0.00 C +ATOM 365 O LYS 22 33.810 32.010 19.820 1.00 0.00 O +ATOM 366 N LYS 23 32.680 33.720 20.670 1.00 0.00 N +ATOM 367 HN LYS 23 31.846 34.222 20.882 1.00 0.00 H +ATOM 368 CA LYS 23 33.840 34.180 21.450 1.00 0.00 C +ATOM 369 HA LYS 23 34.740 34.360 20.880 1.00 0.00 H +ATOM 370 CB LYS 23 33.490 35.530 21.990 1.00 0.00 C +ATOM 371 HB1 LYS 23 33.108 36.272 21.258 1.00 0.00 H +ATOM 372 HB2 LYS 23 32.680 35.500 22.750 1.00 0.00 H +ATOM 373 CG LYS 23 34.680 36.320 22.620 1.00 0.00 C +ATOM 374 HG1 LYS 23 34.980 35.722 23.508 1.00 0.00 H +ATOM 375 HG2 LYS 23 35.512 36.470 21.898 1.00 0.00 H +ATOM 376 CD LYS 23 34.230 37.740 23.110 1.00 0.00 C +ATOM 377 HD1 LYS 23 35.096 38.326 23.488 1.00 0.00 H +ATOM 378 HD2 LYS 23 33.770 38.240 22.230 1.00 0.00 H +ATOM 379 CE LYS 23 33.120 37.650 24.180 1.00 0.00 C +ATOM 380 HE1 LYS 23 32.226 37.094 23.822 1.00 0.00 H +ATOM 381 HE2 LYS 23 33.580 37.170 25.070 1.00 0.00 H +ATOM 382 NZ LYS 23 32.740 38.960 24.770 1.00 0.00 N +ATOM 383 HZ1 LYS 23 31.724 38.870 24.980 1.00 0.00 H +ATOM 384 HZ2 LYS 23 33.336 39.112 25.608 1.00 0.00 H +ATOM 385 HZ3 LYS 23 32.980 39.660 24.040 1.00 0.00 H +ATOM 386 C LYS 23 34.210 33.300 22.610 1.00 0.00 C +ATOM 387 O LYS 23 35.360 32.860 22.810 1.00 0.00 O +ATOM 388 N GLU 24 33.190 32.850 23.360 1.00 0.00 N +ATOM 389 HN GLU 24 32.250 33.100 23.140 1.00 0.00 H +ATOM 390 CA GLU 24 33.280 32.100 24.590 1.00 0.00 C +ATOM 391 HA GLU 24 33.940 32.680 25.220 1.00 0.00 H +ATOM 392 CB GLU 24 32.020 32.220 25.510 1.00 0.00 C +ATOM 393 HB1 GLU 24 31.104 32.060 24.902 1.00 0.00 H +ATOM 394 HB2 GLU 24 31.980 31.482 26.338 1.00 0.00 H +ATOM 395 CG GLU 24 31.860 33.650 26.070 1.00 0.00 C +ATOM 396 HG1 GLU 24 31.950 34.320 25.190 1.00 0.00 H +ATOM 397 HG2 GLU 24 30.840 33.660 26.510 1.00 0.00 H +ATOM 398 CD GLU 24 32.890 34.000 27.150 1.00 0.00 C +ATOM 399 OE1 GLU 24 33.470 33.090 27.850 1.00 0.00 O +ATOM 400 OE2 GLU 24 33.030 35.250 27.310 1.00 0.00 O +ATOM 401 C GLU 24 33.860 30.720 24.350 1.00 0.00 C +ATOM 402 O GLU 24 34.740 30.190 25.050 1.00 0.00 O +ATOM 403 N LEU 25 33.310 30.060 23.290 1.00 0.00 N +ATOM 404 HN LEU 25 32.652 30.580 22.750 1.00 0.00 H +ATOM 405 CA LEU 25 33.670 28.750 22.910 1.00 0.00 C +ATOM 406 HA LEU 25 34.038 28.332 23.836 1.00 0.00 H +ATOM 407 CB LEU 25 32.500 27.880 22.390 1.00 0.00 C +ATOM 408 HB1 LEU 25 32.140 28.280 21.418 1.00 0.00 H +ATOM 409 HB2 LEU 25 32.850 26.870 22.090 1.00 0.00 H +ATOM 410 CG LEU 25 31.320 27.710 23.430 1.00 0.00 C +ATOM 411 HG LEU 25 30.990 28.712 23.780 1.00 0.00 H +ATOM 412 CD1 LEU 25 30.190 26.890 22.820 1.00 0.00 C +ATOM 413 1HD1 LEU 25 30.540 25.862 22.580 1.00 0.00 H +ATOM 414 2HD1 LEU 25 29.378 26.690 23.552 1.00 0.00 H +ATOM 415 3HD1 LEU 25 29.782 27.356 21.896 1.00 0.00 H +ATOM 416 CD2 LEU 25 31.810 26.850 24.690 1.00 0.00 C +ATOM 417 1HD2 LEU 25 32.198 25.856 24.382 1.00 0.00 H +ATOM 418 2HD2 LEU 25 32.604 27.312 25.314 1.00 0.00 H +ATOM 419 3HD2 LEU 25 30.910 26.600 25.290 1.00 0.00 H +ATOM 420 C LEU 25 34.830 28.690 21.920 1.00 0.00 C +ATOM 421 O LEU 25 35.260 27.590 21.440 1.00 0.00 O +ATOM 422 N ALA 26 35.410 29.820 21.630 1.00 0.00 N +ATOM 423 HN ALA 26 35.068 30.644 22.072 1.00 0.00 H +ATOM 424 CA ALA 26 36.490 29.990 20.650 1.00 0.00 C +ATOM 425 HA ALA 26 36.500 31.034 20.378 1.00 0.00 H +ATOM 426 CB ALA 26 37.820 29.690 21.380 1.00 0.00 C +ATOM 427 HB1 ALA 26 38.788 29.890 20.872 1.00 0.00 H +ATOM 428 HB2 ALA 26 37.860 30.340 22.280 1.00 0.00 H +ATOM 429 HB3 ALA 26 37.760 28.638 21.730 1.00 0.00 H +ATOM 430 C ALA 26 36.330 29.200 19.340 1.00 0.00 C +ATOM 431 O ALA 26 37.210 28.500 18.860 1.00 0.00 O +ATOM 432 N LEU 27 35.150 29.420 18.670 1.00 0.00 N +ATOM 433 HN LEU 27 34.512 30.118 18.988 1.00 0.00 H +ATOM 434 CA LEU 27 34.810 28.690 17.480 1.00 0.00 C +ATOM 435 HA LEU 27 34.890 27.642 17.730 1.00 0.00 H +ATOM 436 CB LEU 27 33.290 29.000 17.230 1.00 0.00 C +ATOM 437 HB1 LEU 27 33.220 30.074 16.958 1.00 0.00 H +ATOM 438 HB2 LEU 27 32.938 28.458 16.326 1.00 0.00 H +ATOM 439 CG LEU 27 32.360 28.550 18.390 1.00 0.00 C +ATOM 440 HG LEU 27 32.420 29.298 19.208 1.00 0.00 H +ATOM 441 CD1 LEU 27 30.890 28.680 18.010 1.00 0.00 C +ATOM 442 1HD1 LEU 27 30.382 28.880 18.978 1.00 0.00 H +ATOM 443 2HD1 LEU 27 30.830 29.626 17.432 1.00 0.00 H +ATOM 444 3HD1 LEU 27 30.522 27.824 17.404 1.00 0.00 H +ATOM 445 CD2 LEU 27 32.660 27.120 18.900 1.00 0.00 C +ATOM 446 1HD2 LEU 27 31.854 26.782 19.586 1.00 0.00 H +ATOM 447 2HD2 LEU 27 32.770 26.348 18.108 1.00 0.00 H +ATOM 448 3HD2 LEU 27 33.630 27.090 19.440 1.00 0.00 H +ATOM 449 C LEU 27 35.640 29.090 16.340 1.00 0.00 C +ATOM 450 O LEU 27 36.230 30.180 16.450 1.00 0.00 O +ATOM 451 N PRO 28 35.760 28.360 15.220 1.00 0.00 N +ATOM 452 CD PRO 28 35.400 26.940 15.150 1.00 0.00 C +ATOM 453 HD1 PRO 28 34.304 26.780 15.050 1.00 0.00 H +ATOM 454 HD2 PRO 28 35.790 26.388 16.032 1.00 0.00 H +ATOM 455 CA PRO 28 36.150 28.710 13.900 1.00 0.00 C +ATOM 456 HA PRO 28 37.228 28.760 13.890 1.00 0.00 H +ATOM 457 CB PRO 28 35.800 27.560 13.030 1.00 0.00 C +ATOM 458 HB1 PRO 28 34.716 27.600 12.792 1.00 0.00 H +ATOM 459 HB2 PRO 28 36.370 27.490 12.080 1.00 0.00 H +ATOM 460 CG PRO 28 36.080 26.390 13.890 1.00 0.00 C +ATOM 461 HG1 PRO 28 35.570 25.550 13.370 1.00 0.00 H +ATOM 462 HG2 PRO 28 37.170 26.200 14.000 1.00 0.00 H +ATOM 463 C PRO 28 35.620 30.060 13.420 1.00 0.00 C +ATOM 464 O PRO 28 34.520 30.400 13.790 1.00 0.00 O +ATOM 465 N GLU 29 36.410 30.860 12.650 1.00 0.00 N +ATOM 466 HN GLU 29 37.356 30.622 12.440 1.00 0.00 H +ATOM 467 CA GLU 29 35.910 32.130 12.100 1.00 0.00 C +ATOM 468 HA GLU 29 35.568 32.724 12.934 1.00 0.00 H +ATOM 469 CB GLU 29 37.050 32.910 11.660 1.00 0.00 C +ATOM 470 HB1 GLU 29 37.672 33.342 12.472 1.00 0.00 H +ATOM 471 HB2 GLU 29 37.808 32.392 11.032 1.00 0.00 H +ATOM 472 CG GLU 29 36.680 34.210 10.840 1.00 0.00 C +ATOM 473 HG1 GLU 29 37.632 34.782 10.800 1.00 0.00 H +ATOM 474 HG2 GLU 29 36.310 33.940 9.828 1.00 0.00 H +ATOM 475 CD GLU 29 35.770 35.200 11.570 1.00 0.00 C +ATOM 476 OE1 GLU 29 35.990 35.250 12.840 1.00 0.00 O +ATOM 477 OE2 GLU 29 34.900 35.890 10.980 1.00 0.00 O +ATOM 478 C GLU 29 34.790 31.940 11.030 1.00 0.00 C +ATOM 479 O GLU 29 33.880 32.730 10.790 1.00 0.00 O +ATOM 480 N TYR 30 34.730 30.690 10.500 1.00 0.00 N +ATOM 481 HN TYR 30 35.402 30.018 10.800 1.00 0.00 H +ATOM 482 CA TYR 30 33.660 30.220 9.560 1.00 0.00 C +ATOM 483 HA TYR 30 33.520 31.040 8.870 1.00 0.00 H +ATOM 484 CB TYR 30 34.150 29.100 8.580 1.00 0.00 C +ATOM 485 HB1 TYR 30 33.380 28.880 7.810 1.00 0.00 H +ATOM 486 HB2 TYR 30 35.018 29.480 8.000 1.00 0.00 H +ATOM 487 CG TYR 30 34.550 27.750 9.300 1.00 0.00 C +ATOM 488 CD1 TYR 30 33.550 26.980 9.860 1.00 0.00 C +ATOM 489 HD1 TYR 30 32.512 27.270 9.790 1.00 0.00 H +ATOM 490 CE1 TYR 30 33.820 25.740 10.430 1.00 0.00 C +ATOM 491 HE1 TYR 30 33.030 25.130 10.840 1.00 0.00 H +ATOM 492 CZ TYR 30 35.120 25.230 10.500 1.00 0.00 C +ATOM 493 OH TYR 30 35.410 24.000 11.210 1.00 0.00 O +ATOM 494 HH TYR 30 34.622 23.602 11.588 1.00 0.00 H +ATOM 495 CD2 TYR 30 35.800 27.260 9.350 1.00 0.00 C +ATOM 496 HD2 TYR 30 36.648 27.798 8.952 1.00 0.00 H +ATOM 497 CE2 TYR 30 36.150 26.000 10.000 1.00 0.00 C +ATOM 498 HE2 TYR 30 37.154 25.608 10.060 1.00 0.00 H +ATOM 499 C TYR 30 32.230 29.930 10.020 1.00 0.00 C +ATOM 500 O TYR 30 31.280 29.870 9.230 1.00 0.00 O +ATOM 501 N TYR 31 32.230 29.770 11.360 1.00 0.00 N +ATOM 502 HN TYR 31 33.144 29.650 11.742 1.00 0.00 H +ATOM 503 CA TYR 31 31.060 29.530 12.170 1.00 0.00 C +ATOM 504 HA TYR 31 30.950 28.460 12.080 1.00 0.00 H +ATOM 505 CB TYR 31 31.290 29.780 13.730 1.00 0.00 C +ATOM 506 HB1 TYR 31 32.052 29.108 14.180 1.00 0.00 H +ATOM 507 HB2 TYR 31 31.650 30.790 14.020 1.00 0.00 H +ATOM 508 CG TYR 31 30.110 29.460 14.580 1.00 0.00 C +ATOM 509 CD1 TYR 31 29.540 28.200 14.620 1.00 0.00 C +ATOM 510 HD1 TYR 31 30.198 27.482 14.152 1.00 0.00 H +ATOM 511 CE1 TYR 31 28.450 27.960 15.450 1.00 0.00 C +ATOM 512 HE1 TYR 31 28.100 26.948 15.580 1.00 0.00 H +ATOM 513 CZ TYR 31 27.880 28.980 16.200 1.00 0.00 C +ATOM 514 OH TYR 31 26.900 28.760 17.220 1.00 0.00 O +ATOM 515 HH TYR 31 26.840 27.816 17.380 1.00 0.00 H +ATOM 516 CD2 TYR 31 29.540 30.530 15.300 1.00 0.00 C +ATOM 517 HD2 TYR 31 29.938 31.534 15.340 1.00 0.00 H +ATOM 518 CE2 TYR 31 28.430 30.250 16.120 1.00 0.00 C +ATOM 519 HE2 TYR 31 28.000 31.068 16.680 1.00 0.00 H +ATOM 520 C TYR 31 29.710 30.020 11.630 1.00 0.00 C +ATOM 521 O TYR 31 29.480 31.240 11.400 1.00 0.00 O +ATOM 522 N GLY 32 28.790 29.100 11.320 1.00 0.00 N +ATOM 523 HN GLY 32 29.128 28.164 11.270 1.00 0.00 H +ATOM 524 CA GLY 32 27.510 29.510 10.690 1.00 0.00 C +ATOM 525 HA1 GLY 32 27.710 30.270 9.950 1.00 0.00 H +ATOM 526 HA2 GLY 32 27.040 28.632 10.270 1.00 0.00 H +ATOM 527 C GLY 32 26.410 30.130 11.510 1.00 0.00 C +ATOM 528 O GLY 32 25.400 30.570 10.980 1.00 0.00 O +ATOM 529 N GLU 33 26.580 30.190 12.880 1.00 0.00 N +ATOM 530 HN GLU 33 27.514 30.140 13.222 1.00 0.00 H +ATOM 531 CA GLU 33 25.650 30.860 13.860 1.00 0.00 C +ATOM 532 HA GLU 33 26.088 30.710 14.836 1.00 0.00 H +ATOM 533 CB GLU 33 25.740 32.420 13.630 1.00 0.00 C +ATOM 534 HB1 GLU 33 25.500 32.520 12.550 1.00 0.00 H +ATOM 535 HB2 GLU 33 25.000 32.970 14.250 1.00 0.00 H +ATOM 536 CG GLU 33 27.190 32.840 13.990 1.00 0.00 C +ATOM 537 HG1 GLU 33 27.290 32.930 15.092 1.00 0.00 H +ATOM 538 HG2 GLU 33 28.110 32.390 13.560 1.00 0.00 H +ATOM 539 CD GLU 33 27.540 34.310 13.570 1.00 0.00 C +ATOM 540 OE1 GLU 33 26.700 34.940 12.950 1.00 0.00 O +ATOM 541 OE2 GLU 33 28.700 34.760 13.820 1.00 0.00 O +ATOM 542 C GLU 33 24.250 30.300 13.970 1.00 0.00 C +ATOM 543 O GLU 33 23.260 31.020 14.020 1.00 0.00 O +ATOM 544 N ASN 34 24.140 28.940 13.980 1.00 0.00 N +ATOM 545 HN ASN 34 24.912 28.310 14.010 1.00 0.00 H +ATOM 546 CA ASN 34 22.810 28.330 13.890 1.00 0.00 C +ATOM 547 HA ASN 34 22.138 28.922 14.492 1.00 0.00 H +ATOM 548 CB ASN 34 22.410 28.170 12.360 1.00 0.00 C +ATOM 549 HB1 ASN 34 21.518 27.508 12.400 1.00 0.00 H +ATOM 550 HB2 ASN 34 22.150 29.152 11.910 1.00 0.00 H +ATOM 551 CG ASN 34 23.460 27.430 11.500 1.00 0.00 C +ATOM 552 OD1 ASN 34 23.690 26.270 11.650 1.00 0.00 O +ATOM 553 ND2 ASN 34 23.860 28.090 10.390 1.00 0.00 N +ATOM 554 1HD2 ASN 34 23.440 28.970 10.170 1.00 0.00 H +ATOM 555 2HD2 ASN 34 24.432 27.578 9.748 1.00 0.00 H +ATOM 556 C ASN 34 23.070 26.950 14.520 1.00 0.00 C +ATOM 557 O ASN 34 24.220 26.590 14.800 1.00 0.00 O +ATOM 558 N LEU 35 22.040 26.170 14.760 1.00 0.00 N +ATOM 559 HN LEU 35 21.210 26.410 14.260 1.00 0.00 H +ATOM 560 CA LEU 35 22.120 24.880 15.420 1.00 0.00 C +ATOM 561 HA LEU 35 22.598 25.080 16.368 1.00 0.00 H +ATOM 562 CB LEU 35 20.760 24.190 15.690 1.00 0.00 C +ATOM 563 HB1 LEU 35 20.202 24.080 14.734 1.00 0.00 H +ATOM 564 HB2 LEU 35 20.950 23.158 16.052 1.00 0.00 H +ATOM 565 CG LEU 35 19.880 24.740 16.800 1.00 0.00 C +ATOM 566 HG LEU 35 20.420 24.730 17.770 1.00 0.00 H +ATOM 567 CD1 LEU 35 19.540 26.190 16.530 1.00 0.00 C +ATOM 568 1HD1 LEU 35 19.082 26.310 15.524 1.00 0.00 H +ATOM 569 2HD1 LEU 35 18.750 26.540 17.230 1.00 0.00 H +ATOM 570 3HD1 LEU 35 20.440 26.840 16.510 1.00 0.00 H +ATOM 571 CD2 LEU 35 18.580 23.870 16.840 1.00 0.00 C +ATOM 572 1HD2 LEU 35 17.912 24.130 15.992 1.00 0.00 H +ATOM 573 2HD2 LEU 35 18.928 22.824 16.700 1.00 0.00 H +ATOM 574 3HD2 LEU 35 18.118 24.040 17.834 1.00 0.00 H +ATOM 575 C LEU 35 23.040 23.820 14.760 1.00 0.00 C +ATOM 576 O LEU 35 23.940 23.280 15.390 1.00 0.00 O +ATOM 577 N ASP 36 23.010 23.640 13.430 1.00 0.00 N +ATOM 578 HN ASP 36 22.168 23.952 12.998 1.00 0.00 H +ATOM 579 CA ASP 36 23.870 22.790 12.620 1.00 0.00 C +ATOM 580 HA ASP 36 23.610 21.774 12.880 1.00 0.00 H +ATOM 581 CB ASP 36 23.320 23.040 11.180 1.00 0.00 C +ATOM 582 HB1 ASP 36 22.216 23.030 11.060 1.00 0.00 H +ATOM 583 HB2 ASP 36 23.740 24.000 10.810 1.00 0.00 H +ATOM 584 CG ASP 36 23.810 21.900 10.210 1.00 0.00 C +ATOM 585 OD1 ASP 36 24.030 20.770 10.690 1.00 0.00 O +ATOM 586 OD2 ASP 36 23.870 22.090 9.010 1.00 0.00 O +ATOM 587 C ASP 36 25.410 22.940 12.760 1.00 0.00 C +ATOM 588 O ASP 36 26.160 22.030 12.970 1.00 0.00 O +ATOM 589 N ALA 37 25.840 24.180 12.610 1.00 0.00 N +ATOM 590 HN ALA 37 25.252 24.958 12.400 1.00 0.00 H +ATOM 591 CA ALA 37 27.190 24.640 12.810 1.00 0.00 C +ATOM 592 HA ALA 37 27.874 23.996 12.278 1.00 0.00 H +ATOM 593 CB ALA 37 27.280 26.180 12.320 1.00 0.00 C +ATOM 594 HB1 ALA 37 28.342 26.490 12.430 1.00 0.00 H +ATOM 595 HB2 ALA 37 26.998 26.320 11.254 1.00 0.00 H +ATOM 596 HB3 ALA 37 26.628 26.802 12.972 1.00 0.00 H +ATOM 597 C ALA 37 27.610 24.480 14.330 1.00 0.00 C +ATOM 598 O ALA 37 28.670 24.100 14.630 1.00 0.00 O +ATOM 599 N LEU 38 26.680 24.800 15.200 1.00 0.00 N +ATOM 600 HN LEU 38 25.840 25.290 14.980 1.00 0.00 H +ATOM 601 CA LEU 38 26.860 24.590 16.620 1.00 0.00 C +ATOM 602 HA LEU 38 27.768 25.084 16.932 1.00 0.00 H +ATOM 603 CB LEU 38 25.730 25.250 17.400 1.00 0.00 C +ATOM 604 HB1 LEU 38 25.860 26.334 17.200 1.00 0.00 H +ATOM 605 HB2 LEU 38 24.878 24.838 16.818 1.00 0.00 H +ATOM 606 CG LEU 38 25.630 25.080 18.900 1.00 0.00 C +ATOM 607 HG LEU 38 25.610 23.996 19.140 1.00 0.00 H +ATOM 608 CD1 LEU 38 26.880 25.600 19.590 1.00 0.00 C +ATOM 609 1HD1 LEU 38 27.760 24.940 19.430 1.00 0.00 H +ATOM 610 2HD1 LEU 38 27.050 26.686 19.430 1.00 0.00 H +ATOM 611 3HD1 LEU 38 26.800 25.420 20.684 1.00 0.00 H +ATOM 612 CD2 LEU 38 24.490 25.840 19.600 1.00 0.00 C +ATOM 613 1HD2 LEU 38 23.588 25.650 18.980 1.00 0.00 H +ATOM 614 2HD2 LEU 38 24.440 25.770 20.708 1.00 0.00 H +ATOM 615 3HD2 LEU 38 24.620 26.934 19.460 1.00 0.00 H +ATOM 616 C LEU 38 27.070 23.210 16.990 1.00 0.00 C +ATOM 617 O LEU 38 28.030 22.880 17.630 1.00 0.00 O +ATOM 618 N TRP 39 26.230 22.260 16.490 1.00 0.00 N +ATOM 619 HN TRP 39 25.418 22.510 15.968 1.00 0.00 H +ATOM 620 CA TRP 39 26.390 20.870 16.700 1.00 0.00 C +ATOM 621 HA TRP 39 26.490 20.780 17.772 1.00 0.00 H +ATOM 622 CB TRP 39 25.200 20.020 16.160 1.00 0.00 C +ATOM 623 HB1 TRP 39 24.392 20.450 16.790 1.00 0.00 H +ATOM 624 HB2 TRP 39 24.960 20.320 15.118 1.00 0.00 H +ATOM 625 CG TRP 39 25.270 18.570 16.220 1.00 0.00 C +ATOM 626 CD1 TRP 39 25.550 17.700 15.180 1.00 0.00 C +ATOM 627 HD1 TRP 39 25.550 17.932 14.126 1.00 0.00 H +ATOM 628 NE1 TRP 39 25.310 16.420 15.650 1.00 0.00 N +ATOM 629 HE1 TRP 39 25.180 15.598 15.140 1.00 0.00 H +ATOM 630 CE2 TRP 39 24.940 16.420 16.980 1.00 0.00 C +ATOM 631 CD2 TRP 39 25.000 17.790 17.370 1.00 0.00 C +ATOM 632 CE3 TRP 39 24.740 18.120 18.710 1.00 0.00 C +ATOM 633 HE3 TRP 39 24.790 19.134 19.078 1.00 0.00 H +ATOM 634 CZ3 TRP 39 24.380 17.060 19.560 1.00 0.00 C +ATOM 635 HZ3 TRP 39 24.168 17.352 20.578 1.00 0.00 H +ATOM 636 CZ2 TRP 39 24.570 15.370 17.860 1.00 0.00 C +ATOM 637 HZ2 TRP 39 24.530 14.316 17.630 1.00 0.00 H +ATOM 638 CH2 TRP 39 24.270 15.750 19.150 1.00 0.00 C +ATOM 639 HH2 TRP 39 24.010 15.088 19.962 1.00 0.00 H +ATOM 640 C TRP 39 27.690 20.320 16.080 1.00 0.00 C +ATOM 641 O TRP 39 28.390 19.480 16.640 1.00 0.00 O +ATOM 642 N ASP 40 28.070 20.910 14.910 1.00 0.00 N +ATOM 643 HN ASP 40 27.414 21.546 14.516 1.00 0.00 H +ATOM 644 CA ASP 40 29.370 20.550 14.300 1.00 0.00 C +ATOM 645 HA ASP 40 29.280 19.476 14.210 1.00 0.00 H +ATOM 646 CB ASP 40 29.510 21.070 12.800 1.00 0.00 C +ATOM 647 HB1 ASP 40 28.720 20.670 12.130 1.00 0.00 H +ATOM 648 HB2 ASP 40 29.580 22.178 12.770 1.00 0.00 H +ATOM 649 CG ASP 40 30.780 20.570 12.160 1.00 0.00 C +ATOM 650 OD1 ASP 40 31.010 19.310 12.270 1.00 0.00 O +ATOM 651 OD2 ASP 40 31.470 21.320 11.390 1.00 0.00 O +ATOM 652 C ASP 40 30.560 20.910 15.230 1.00 0.00 C +ATOM 653 O ASP 40 31.480 20.160 15.520 1.00 0.00 O +ATOM 654 N CYS 41 30.530 22.100 15.820 1.00 0.00 N +ATOM 655 HN CYS 41 29.810 22.770 15.660 1.00 0.00 H +ATOM 656 CA CYS 41 31.510 22.580 16.830 1.00 0.00 C +ATOM 657 HA CYS 41 32.442 22.270 16.380 1.00 0.00 H +ATOM 658 CB CYS 41 31.470 24.010 17.310 1.00 0.00 C +ATOM 659 HB1 CYS 41 30.466 24.140 17.768 1.00 0.00 H +ATOM 660 HB2 CYS 41 32.210 24.260 18.100 1.00 0.00 H +ATOM 661 SG CYS 41 31.600 25.140 15.950 1.00 0.00 S +ATOM 662 HG1 CYS 41 30.388 24.850 15.500 1.00 0.00 H +ATOM 663 C CYS 41 31.470 21.660 18.020 1.00 0.00 C +ATOM 664 O CYS 41 32.540 21.200 18.460 1.00 0.00 O +ATOM 665 N LEU 42 30.320 21.320 18.570 1.00 0.00 N +ATOM 666 HN LEU 42 29.516 21.812 18.248 1.00 0.00 H +ATOM 667 CA LEU 42 30.220 20.470 19.710 1.00 0.00 C +ATOM 668 HA LEU 42 30.830 20.880 20.500 1.00 0.00 H +ATOM 669 CB LEU 42 28.800 20.390 20.220 1.00 0.00 C +ATOM 670 HB1 LEU 42 28.006 20.168 19.476 1.00 0.00 H +ATOM 671 HB2 LEU 42 28.770 19.560 20.960 1.00 0.00 H +ATOM 672 CG LEU 42 28.340 21.680 20.880 1.00 0.00 C +ATOM 673 HG LEU 42 28.610 22.526 20.212 1.00 0.00 H +ATOM 674 CD1 LEU 42 26.740 21.650 20.990 1.00 0.00 C +ATOM 675 1HD1 LEU 42 26.308 21.510 19.976 1.00 0.00 H +ATOM 676 2HD1 LEU 42 26.450 20.820 21.670 1.00 0.00 H +ATOM 677 3HD1 LEU 42 26.282 22.586 21.378 1.00 0.00 H +ATOM 678 CD2 LEU 42 29.020 22.000 22.240 1.00 0.00 C +ATOM 679 1HD2 LEU 42 30.114 21.830 22.150 1.00 0.00 H +ATOM 680 2HD2 LEU 42 28.890 23.066 22.528 1.00 0.00 H +ATOM 681 3HD2 LEU 42 28.472 21.452 23.036 1.00 0.00 H +ATOM 682 C LEU 42 30.740 19.020 19.470 1.00 0.00 C +ATOM 683 O LEU 42 31.310 18.370 20.310 1.00 0.00 O +ATOM 684 N ALA 43 30.390 18.460 18.270 1.00 0.00 N +ATOM 685 HN ALA 43 29.674 18.904 17.736 1.00 0.00 H +ATOM 686 CA ALA 43 30.880 17.120 17.930 1.00 0.00 C +ATOM 687 HA ALA 43 30.610 16.352 18.640 1.00 0.00 H +ATOM 688 CB ALA 43 30.250 16.600 16.660 1.00 0.00 C +ATOM 689 HB1 ALA 43 30.370 15.496 16.630 1.00 0.00 H +ATOM 690 HB2 ALA 43 29.176 16.860 16.780 1.00 0.00 H +ATOM 691 HB3 ALA 43 30.590 17.200 15.790 1.00 0.00 H +ATOM 692 C ALA 43 32.380 16.960 17.820 1.00 0.00 C +ATOM 693 O ALA 43 32.970 16.020 18.300 1.00 0.00 O +ATOM 694 N GLY 44 33.010 17.980 17.130 1.00 0.00 N +ATOM 695 HN GLY 44 32.448 18.674 16.688 1.00 0.00 H +ATOM 696 CA GLY 44 34.410 17.840 16.670 1.00 0.00 C +ATOM 697 HA1 GLY 44 34.830 16.980 17.170 1.00 0.00 H +ATOM 698 HA2 GLY 44 34.320 17.750 15.598 1.00 0.00 H +ATOM 699 C GLY 44 35.330 19.020 17.020 1.00 0.00 C +ATOM 700 O GLY 44 36.520 18.870 16.770 1.00 0.00 O +ATOM 701 N TRP 45 34.830 20.130 17.590 1.00 0.00 N +ATOM 702 HN TRP 45 33.882 20.310 17.840 1.00 0.00 H +ATOM 703 CA TRP 45 35.740 21.300 17.840 1.00 0.00 C +ATOM 704 HA TRP 45 36.728 21.210 17.412 1.00 0.00 H +ATOM 705 CB TRP 45 35.250 22.700 17.370 1.00 0.00 C +ATOM 706 HB1 TRP 45 35.080 22.620 16.276 1.00 0.00 H +ATOM 707 HB2 TRP 45 34.286 22.868 17.896 1.00 0.00 H +ATOM 708 CG TRP 45 36.090 23.890 17.630 1.00 0.00 C +ATOM 709 CD1 TRP 45 35.790 24.750 18.620 1.00 0.00 C +ATOM 710 HD1 TRP 45 34.880 24.700 19.200 1.00 0.00 H +ATOM 711 NE1 TRP 45 36.780 25.720 18.630 1.00 0.00 N +ATOM 712 HE1 TRP 45 36.918 26.632 18.948 1.00 0.00 H +ATOM 713 CE2 TRP 45 37.780 25.390 17.640 1.00 0.00 C +ATOM 714 CD2 TRP 45 37.320 24.260 16.950 1.00 0.00 C +ATOM 715 CE3 TRP 45 38.130 23.800 15.860 1.00 0.00 C +ATOM 716 HE3 TRP 45 37.800 22.898 15.368 1.00 0.00 H +ATOM 717 CZ3 TRP 45 39.250 24.500 15.480 1.00 0.00 C +ATOM 718 HZ3 TRP 45 39.812 24.148 14.628 1.00 0.00 H +ATOM 719 CZ2 TRP 45 39.000 26.020 17.280 1.00 0.00 C +ATOM 720 HZ2 TRP 45 39.320 26.888 17.838 1.00 0.00 H +ATOM 721 CH2 TRP 45 39.750 25.490 16.210 1.00 0.00 C +ATOM 722 HH2 TRP 45 40.774 25.788 16.040 1.00 0.00 H +ATOM 723 C TRP 45 36.060 21.390 19.310 1.00 0.00 C +ATOM 724 O TRP 45 37.220 21.290 19.690 1.00 0.00 O +ATOM 725 N VAL 46 34.950 21.580 20.110 1.00 0.00 N +ATOM 726 HN VAL 46 34.028 21.490 19.740 1.00 0.00 H +ATOM 727 CA VAL 46 35.020 21.840 21.540 1.00 0.00 C +ATOM 728 HA VAL 46 35.632 22.722 21.660 1.00 0.00 H +ATOM 729 CB VAL 46 33.550 22.050 22.060 1.00 0.00 C +ATOM 730 HB VAL 46 33.010 21.130 21.750 1.00 0.00 H +ATOM 731 CG1 VAL 46 33.630 22.210 23.580 1.00 0.00 C +ATOM 732 1HG1 VAL 46 34.458 22.888 23.880 1.00 0.00 H +ATOM 733 2HG1 VAL 46 32.682 22.640 23.970 1.00 0.00 H +ATOM 734 3HG1 VAL 46 33.660 21.218 24.080 1.00 0.00 H +ATOM 735 CG2 VAL 46 33.020 23.320 21.390 1.00 0.00 C +ATOM 736 1HG2 VAL 46 31.998 23.510 21.780 1.00 0.00 H +ATOM 737 2HG2 VAL 46 33.488 24.208 21.868 1.00 0.00 H +ATOM 738 3HG2 VAL 46 33.080 23.490 20.294 1.00 0.00 H +ATOM 739 C VAL 46 35.820 20.790 22.360 1.00 0.00 C +ATOM 740 O VAL 46 35.450 19.580 22.470 1.00 0.00 O +ATOM 741 N GLU 47 36.970 21.180 22.970 1.00 0.00 N +ATOM 742 HN GLU 47 37.438 22.038 22.770 1.00 0.00 H +ATOM 743 CA GLU 47 37.660 20.350 23.960 1.00 0.00 C +ATOM 744 HA GLU 47 37.650 19.334 23.592 1.00 0.00 H +ATOM 745 CB GLU 47 39.110 20.740 24.250 1.00 0.00 C +ATOM 746 HB1 GLU 47 39.578 20.890 23.254 1.00 0.00 H +ATOM 747 HB2 GLU 47 39.100 21.724 24.766 1.00 0.00 H +ATOM 748 CG GLU 47 40.030 19.710 25.000 1.00 0.00 C +ATOM 749 HG1 GLU 47 39.438 19.158 25.762 1.00 0.00 H +ATOM 750 HG2 GLU 47 40.370 18.820 24.430 1.00 0.00 H +ATOM 751 CD GLU 47 41.190 20.340 25.770 1.00 0.00 C +ATOM 752 OE1 GLU 47 42.380 19.930 25.490 1.00 0.00 O +ATOM 753 OE2 GLU 47 40.980 21.190 26.670 1.00 0.00 O +ATOM 754 C GLU 47 36.900 20.360 25.320 1.00 0.00 C +ATOM 755 O GLU 47 36.550 21.420 25.830 1.00 0.00 O +ATOM 756 N TYR 48 36.660 19.180 25.860 1.00 0.00 N +ATOM 757 HN TYR 48 37.030 18.330 25.490 1.00 0.00 H +ATOM 758 CA TYR 48 35.890 19.030 27.100 1.00 0.00 C +ATOM 759 HA TYR 48 35.428 19.996 27.230 1.00 0.00 H +ATOM 760 CB TYR 48 34.850 17.860 26.820 1.00 0.00 C +ATOM 761 HB1 TYR 48 35.472 17.028 26.428 1.00 0.00 H +ATOM 762 HB2 TYR 48 34.260 17.580 27.720 1.00 0.00 H +ATOM 763 CG TYR 48 33.850 18.270 25.740 1.00 0.00 C +ATOM 764 CD1 TYR 48 32.830 19.170 26.140 1.00 0.00 C +ATOM 765 HD1 TYR 48 32.890 19.648 27.106 1.00 0.00 H +ATOM 766 CE1 TYR 48 31.840 19.560 25.250 1.00 0.00 C +ATOM 767 HE1 TYR 48 31.152 20.318 25.598 1.00 0.00 H +ATOM 768 CZ TYR 48 31.860 19.050 23.950 1.00 0.00 C +ATOM 769 OH TYR 48 31.010 19.450 22.930 1.00 0.00 O +ATOM 770 HH TYR 48 31.160 18.892 22.162 1.00 0.00 H +ATOM 771 CD2 TYR 48 33.750 17.640 24.500 1.00 0.00 C +ATOM 772 HD2 TYR 48 34.500 16.920 24.210 1.00 0.00 H +ATOM 773 CE2 TYR 48 32.820 18.110 23.600 1.00 0.00 C +ATOM 774 HE2 TYR 48 32.860 17.790 22.570 1.00 0.00 H +ATOM 775 C TYR 48 36.730 18.680 28.330 1.00 0.00 C +ATOM 776 O TYR 48 37.840 18.250 28.050 1.00 0.00 O +ATOM 777 N PRO 49 36.470 18.770 29.600 1.00 0.00 N +ATOM 778 CD PRO 49 37.300 18.020 30.530 1.00 0.00 C +ATOM 779 HD1 PRO 49 38.222 18.630 30.640 1.00 0.00 H +ATOM 780 HD2 PRO 49 37.648 17.024 30.182 1.00 0.00 H +ATOM 781 CA PRO 49 35.230 19.270 30.180 1.00 0.00 C +ATOM 782 HA PRO 49 34.366 18.658 29.970 1.00 0.00 H +ATOM 783 CB PRO 49 35.450 19.160 31.730 1.00 0.00 C +ATOM 784 HB1 PRO 49 35.930 20.100 32.080 1.00 0.00 H +ATOM 785 HB2 PRO 49 34.462 18.940 32.188 1.00 0.00 H +ATOM 786 CG PRO 49 36.460 17.970 31.860 1.00 0.00 C +ATOM 787 HG1 PRO 49 37.100 18.090 32.760 1.00 0.00 H +ATOM 788 HG2 PRO 49 35.968 16.974 31.870 1.00 0.00 H +ATOM 789 C PRO 49 34.850 20.650 29.750 1.00 0.00 C +ATOM 790 O PRO 49 35.710 21.490 29.360 1.00 0.00 O +ATOM 791 N LEU 50 33.550 21.020 29.920 1.00 0.00 N +ATOM 792 HN LEU 50 32.808 20.418 30.202 1.00 0.00 H +ATOM 793 CA LEU 50 33.250 22.390 29.590 1.00 0.00 C +ATOM 794 HA LEU 50 34.068 23.058 29.820 1.00 0.00 H +ATOM 795 CB LEU 50 32.800 22.500 28.180 1.00 0.00 C +ATOM 796 HB1 LEU 50 33.580 22.370 27.400 1.00 0.00 H +ATOM 797 HB2 LEU 50 32.052 21.712 27.950 1.00 0.00 H +ATOM 798 CG LEU 50 32.180 23.880 27.780 1.00 0.00 C +ATOM 799 HG LEU 50 31.402 24.290 28.458 1.00 0.00 H +ATOM 800 CD1 LEU 50 33.290 24.850 27.710 1.00 0.00 C +ATOM 801 1HD1 LEU 50 32.982 25.756 27.144 1.00 0.00 H +ATOM 802 2HD1 LEU 50 33.520 25.220 28.732 1.00 0.00 H +ATOM 803 3HD1 LEU 50 34.234 24.488 27.248 1.00 0.00 H +ATOM 804 CD2 LEU 50 31.400 23.670 26.470 1.00 0.00 C +ATOM 805 1HD2 LEU 50 32.214 23.450 25.746 1.00 0.00 H +ATOM 806 2HD2 LEU 50 30.860 22.700 26.450 1.00 0.00 H +ATOM 807 3HD2 LEU 50 30.730 24.520 26.220 1.00 0.00 H +ATOM 808 C LEU 50 32.140 22.780 30.550 1.00 0.00 C +ATOM 809 O LEU 50 31.200 22.000 30.730 1.00 0.00 O +ATOM 810 N VAL 51 32.350 23.960 31.170 1.00 0.00 N +ATOM 811 HN VAL 51 33.218 24.448 31.120 1.00 0.00 H +ATOM 812 CA VAL 51 31.310 24.540 32.020 1.00 0.00 C +ATOM 813 HA VAL 51 30.598 23.788 32.322 1.00 0.00 H +ATOM 814 CB VAL 51 31.960 25.120 33.350 1.00 0.00 C +ATOM 815 HB VAL 51 32.770 25.830 33.080 1.00 0.00 H +ATOM 816 CG1 VAL 51 30.830 25.920 34.150 1.00 0.00 C +ATOM 817 1HG1 VAL 51 29.952 25.250 34.270 1.00 0.00 H +ATOM 818 2HG1 VAL 51 31.280 26.140 35.142 1.00 0.00 H +ATOM 819 3HG1 VAL 51 30.572 26.834 33.574 1.00 0.00 H +ATOM 820 CG2 VAL 51 32.490 23.990 34.190 1.00 0.00 C +ATOM 821 1HG2 VAL 51 33.300 23.410 33.700 1.00 0.00 H +ATOM 822 2HG2 VAL 51 33.068 24.358 35.066 1.00 0.00 H +ATOM 823 3HG2 VAL 51 31.682 23.260 34.410 1.00 0.00 H +ATOM 824 C VAL 51 30.650 25.680 31.220 1.00 0.00 C +ATOM 825 O VAL 51 31.270 26.570 30.630 1.00 0.00 O +ATOM 826 N LEU 52 29.320 25.570 31.080 1.00 0.00 N +ATOM 827 HN LEU 52 28.914 24.736 31.448 1.00 0.00 H +ATOM 828 CA LEU 52 28.440 26.550 30.510 1.00 0.00 C +ATOM 829 HA LEU 52 28.880 27.428 30.060 1.00 0.00 H +ATOM 830 CB LEU 52 27.400 25.880 29.540 1.00 0.00 C +ATOM 831 HB1 LEU 52 26.870 25.010 29.980 1.00 0.00 H +ATOM 832 HB2 LEU 52 26.510 26.540 29.450 1.00 0.00 H +ATOM 833 CG LEU 52 27.800 25.530 28.080 1.00 0.00 C +ATOM 834 HG LEU 52 26.922 25.710 27.422 1.00 0.00 H +ATOM 835 CD1 LEU 52 28.840 26.380 27.400 1.00 0.00 C +ATOM 836 1HD1 LEU 52 28.540 27.448 27.460 1.00 0.00 H +ATOM 837 2HD1 LEU 52 29.804 26.212 27.926 1.00 0.00 H +ATOM 838 3HD1 LEU 52 28.810 26.210 26.302 1.00 0.00 H +ATOM 839 CD2 LEU 52 28.100 24.020 27.960 1.00 0.00 C +ATOM 840 1HD2 LEU 52 29.068 23.710 28.410 1.00 0.00 H +ATOM 841 2HD2 LEU 52 27.240 23.450 28.370 1.00 0.00 H +ATOM 842 3HD2 LEU 52 28.230 23.870 26.868 1.00 0.00 H +ATOM 843 C LEU 52 27.650 27.080 31.700 1.00 0.00 C +ATOM 844 O LEU 52 26.750 26.460 32.300 1.00 0.00 O +ATOM 845 N GLU 53 27.890 28.350 32.020 1.00 0.00 N +ATOM 846 HN GLU 53 28.530 28.870 31.460 1.00 0.00 H +ATOM 847 CA GLU 53 27.010 29.050 32.910 1.00 0.00 C +ATOM 848 HA GLU 53 26.340 28.310 33.320 1.00 0.00 H +ATOM 849 CB GLU 53 27.640 29.720 34.130 1.00 0.00 C +ATOM 850 HB1 GLU 53 26.872 29.980 34.890 1.00 0.00 H +ATOM 851 HB2 GLU 53 28.294 28.976 34.632 1.00 0.00 H +ATOM 852 CG GLU 53 28.370 31.020 33.730 1.00 0.00 C +ATOM 853 HG1 GLU 53 29.024 30.880 32.844 1.00 0.00 H +ATOM 854 HG2 GLU 53 27.604 31.796 33.512 1.00 0.00 H +ATOM 855 CD GLU 53 29.140 31.730 34.850 1.00 0.00 C +ATOM 856 OE1 GLU 53 28.480 32.120 35.850 1.00 0.00 O +ATOM 857 OE2 GLU 53 30.350 31.900 34.720 1.00 0.00 O +ATOM 858 C GLU 53 26.170 30.030 32.100 1.00 0.00 C +ATOM 859 O GLU 53 26.610 30.770 31.240 1.00 0.00 O +ATOM 860 N TRP 54 24.830 30.070 32.300 1.00 0.00 N +ATOM 861 HN TRP 54 24.428 29.528 33.034 1.00 0.00 H +ATOM 862 CA TRP 54 24.010 31.020 31.670 1.00 0.00 C +ATOM 863 HA TRP 54 24.560 31.828 31.210 1.00 0.00 H +ATOM 864 CB TRP 54 22.990 30.120 30.800 1.00 0.00 C +ATOM 865 HB1 TRP 54 23.610 29.380 30.250 1.00 0.00 H +ATOM 866 HB2 TRP 54 22.210 29.580 31.380 1.00 0.00 H +ATOM 867 CG TRP 54 22.270 30.840 29.730 1.00 0.00 C +ATOM 868 CD1 TRP 54 22.070 32.200 29.670 1.00 0.00 C +ATOM 869 HD1 TRP 54 22.100 32.906 30.486 1.00 0.00 H +ATOM 870 NE1 TRP 54 21.590 32.500 28.430 1.00 0.00 N +ATOM 871 HE1 TRP 54 21.070 33.280 28.160 1.00 0.00 H +ATOM 872 CE2 TRP 54 21.530 31.380 27.630 1.00 0.00 C +ATOM 873 CD2 TRP 54 22.000 30.350 28.420 1.00 0.00 C +ATOM 874 CE3 TRP 54 22.060 29.010 27.900 1.00 0.00 C +ATOM 875 HE3 TRP 54 22.420 28.188 28.502 1.00 0.00 H +ATOM 876 CZ3 TRP 54 21.760 28.820 26.580 1.00 0.00 C +ATOM 877 HZ3 TRP 54 21.740 27.868 26.070 1.00 0.00 H +ATOM 878 CZ2 TRP 54 21.170 31.120 26.320 1.00 0.00 C +ATOM 879 HZ2 TRP 54 20.880 31.970 25.720 1.00 0.00 H +ATOM 880 CH2 TRP 54 21.240 29.850 25.800 1.00 0.00 C +ATOM 881 HH2 TRP 54 21.140 29.740 24.730 1.00 0.00 H +ATOM 882 C TRP 54 23.310 31.670 32.810 1.00 0.00 C +ATOM 883 O TRP 54 22.550 31.060 33.530 1.00 0.00 O +ATOM 884 N ARG 55 23.580 33.010 32.910 1.00 0.00 N +ATOM 885 HN ARG 55 24.156 33.448 32.224 1.00 0.00 H +ATOM 886 CA ARG 55 22.980 33.940 33.800 1.00 0.00 C +ATOM 887 HA ARG 55 22.490 33.390 34.590 1.00 0.00 H +ATOM 888 CB ARG 55 24.060 34.960 34.140 1.00 0.00 C +ATOM 889 HB1 ARG 55 24.390 35.490 33.220 1.00 0.00 H +ATOM 890 HB2 ARG 55 23.622 35.796 34.728 1.00 0.00 H +ATOM 891 CG ARG 55 25.270 34.450 34.930 1.00 0.00 C +ATOM 892 HG1 ARG 55 24.970 33.920 35.860 1.00 0.00 H +ATOM 893 HG2 ARG 55 25.778 33.642 34.362 1.00 0.00 H +ATOM 894 CD ARG 55 26.320 35.540 35.230 1.00 0.00 C +ATOM 895 HD1 ARG 55 26.528 36.266 34.414 1.00 0.00 H +ATOM 896 HD2 ARG 55 26.090 36.100 36.160 1.00 0.00 H +ATOM 897 NE ARG 55 27.670 34.810 35.520 1.00 0.00 N +ATOM 898 HE ARG 55 27.820 33.822 35.570 1.00 0.00 H +ATOM 899 CZ ARG 55 28.800 35.420 35.720 1.00 0.00 C +ATOM 900 NH1 ARG 55 28.910 36.730 35.680 1.00 0.00 N +ATOM 901 1HH1 ARG 55 28.192 37.278 35.252 1.00 0.00 H +ATOM 902 2HH1 ARG 55 29.774 37.202 35.850 1.00 0.00 H +ATOM 903 NH2 ARG 55 29.800 34.650 36.080 1.00 0.00 N +ATOM 904 1HH2 ARG 55 29.740 33.690 35.808 1.00 0.00 H +ATOM 905 2HH2 ARG 55 30.718 35.038 36.170 1.00 0.00 H +ATOM 906 C ARG 55 21.880 34.770 33.060 1.00 0.00 C +ATOM 907 O ARG 55 22.180 35.280 32.010 1.00 0.00 O +ATOM 908 N GLN 56 20.610 34.780 33.650 1.00 0.00 N +ATOM 909 HN GLN 56 20.338 34.228 34.434 1.00 0.00 H +ATOM 910 CA GLN 56 19.530 35.530 33.050 1.00 0.00 C +ATOM 911 HA GLN 56 18.728 35.530 33.772 1.00 0.00 H +ATOM 912 CB GLN 56 19.760 37.030 32.780 1.00 0.00 C +ATOM 913 HB1 GLN 56 20.504 37.040 31.956 1.00 0.00 H +ATOM 914 HB2 GLN 56 18.828 37.542 32.460 1.00 0.00 H +ATOM 915 CG GLN 56 20.130 37.870 34.020 1.00 0.00 C +ATOM 916 HG1 GLN 56 21.222 37.770 34.200 1.00 0.00 H +ATOM 917 HG2 GLN 56 19.892 38.944 33.860 1.00 0.00 H +ATOM 918 CD GLN 56 19.360 37.490 35.260 1.00 0.00 C +ATOM 919 OE1 GLN 56 18.210 37.090 35.150 1.00 0.00 O +ATOM 920 NE2 GLN 56 19.890 37.850 36.440 1.00 0.00 N +ATOM 921 1HE2 GLN 56 20.868 37.668 36.540 1.00 0.00 H +ATOM 922 2HE2 GLN 56 19.312 37.800 37.256 1.00 0.00 H +ATOM 923 C GLN 56 18.870 34.830 31.940 1.00 0.00 C +ATOM 924 O GLN 56 18.670 35.350 30.860 1.00 0.00 O +ATOM 925 N PHE 57 18.480 33.580 32.100 1.00 0.00 N +ATOM 926 HN PHE 57 18.692 33.136 32.966 1.00 0.00 H +ATOM 927 CA PHE 57 18.110 32.730 31.050 1.00 0.00 C +ATOM 928 HA PHE 57 18.802 32.940 30.248 1.00 0.00 H +ATOM 929 CB PHE 57 18.280 31.230 31.420 1.00 0.00 C +ATOM 930 HB1 PHE 57 19.306 31.070 31.818 1.00 0.00 H +ATOM 931 HB2 PHE 57 17.636 31.100 32.316 1.00 0.00 H +ATOM 932 CG PHE 57 17.900 30.190 30.370 1.00 0.00 C +ATOM 933 CD1 PHE 57 18.830 29.770 29.380 1.00 0.00 C +ATOM 934 HD1 PHE 57 19.858 30.090 29.470 1.00 0.00 H +ATOM 935 CE1 PHE 57 18.410 28.880 28.390 1.00 0.00 C +ATOM 936 HE1 PHE 57 19.060 28.590 27.578 1.00 0.00 H +ATOM 937 CZ PHE 57 17.080 28.560 28.290 1.00 0.00 C +ATOM 938 HZ PHE 57 16.810 27.888 27.488 1.00 0.00 H +ATOM 939 CD2 PHE 57 16.530 29.790 30.210 1.00 0.00 C +ATOM 940 HD2 PHE 57 15.784 30.228 30.856 1.00 0.00 H +ATOM 941 CE2 PHE 57 16.170 28.880 29.250 1.00 0.00 C +ATOM 942 HE2 PHE 57 15.184 28.452 29.350 1.00 0.00 H +ATOM 943 C PHE 57 16.730 33.070 30.450 1.00 0.00 C +ATOM 944 O PHE 57 16.440 33.000 29.260 1.00 0.00 O +ATOM 945 N GLU 58 15.820 33.380 31.400 1.00 0.00 N +ATOM 946 HN GLU 58 16.232 33.310 32.304 1.00 0.00 H +ATOM 947 CA GLU 58 14.490 33.880 31.080 1.00 0.00 C +ATOM 948 HA GLU 58 14.100 33.148 30.388 1.00 0.00 H +ATOM 949 CB GLU 58 13.730 33.870 32.470 1.00 0.00 C +ATOM 950 HB1 GLU 58 13.820 32.906 33.012 1.00 0.00 H +ATOM 951 HB2 GLU 58 14.148 34.578 33.218 1.00 0.00 H +ATOM 952 CG GLU 58 12.200 34.150 32.320 1.00 0.00 C +ATOM 953 HG1 GLU 58 11.650 34.260 33.280 1.00 0.00 H +ATOM 954 HG2 GLU 58 11.940 35.088 31.782 1.00 0.00 H +ATOM 955 CD GLU 58 11.650 32.960 31.630 1.00 0.00 C +ATOM 956 OE1 GLU 58 10.880 33.140 30.650 1.00 0.00 O +ATOM 957 OE2 GLU 58 11.920 31.770 31.970 1.00 0.00 O +ATOM 958 C GLU 58 14.380 35.200 30.270 1.00 0.00 C +ATOM 959 O GLU 58 13.600 35.280 29.330 1.00 0.00 O +ATOM 960 N GLN 59 15.180 36.180 30.620 1.00 0.00 N +ATOM 961 HN GLN 59 15.702 35.970 31.442 1.00 0.00 H +ATOM 962 CA GLN 59 15.490 37.420 29.900 1.00 0.00 C +ATOM 963 HA GLN 59 14.496 37.812 29.740 1.00 0.00 H +ATOM 964 CB GLN 59 16.440 38.360 30.570 1.00 0.00 C +ATOM 965 HB1 GLN 59 17.480 37.970 30.530 1.00 0.00 H +ATOM 966 HB2 GLN 59 16.480 39.284 29.954 1.00 0.00 H +ATOM 967 CG GLN 59 15.930 38.870 31.970 1.00 0.00 C +ATOM 968 HG1 GLN 59 14.832 39.030 31.920 1.00 0.00 H +ATOM 969 HG2 GLN 59 16.060 38.130 32.790 1.00 0.00 H +ATOM 970 CD GLN 59 16.730 40.090 32.360 1.00 0.00 C +ATOM 971 OE1 GLN 59 17.780 39.960 32.990 1.00 0.00 O +ATOM 972 NE2 GLN 59 16.280 41.300 32.080 1.00 0.00 N +ATOM 973 1HE2 GLN 59 15.424 41.250 31.562 1.00 0.00 H +ATOM 974 2HE2 GLN 59 16.834 42.124 32.190 1.00 0.00 H +ATOM 975 C GLN 59 16.060 37.110 28.490 1.00 0.00 C +ATOM 976 O GLN 59 15.640 37.670 27.530 1.00 0.00 O +ATOM 977 N SER 60 17.030 36.090 28.360 1.00 0.00 N +ATOM 978 HN SER 60 17.320 35.632 29.198 1.00 0.00 H +ATOM 979 CA SER 60 17.560 35.760 27.000 1.00 0.00 C +ATOM 980 HA SER 60 17.990 36.690 26.660 1.00 0.00 H +ATOM 981 CB SER 60 18.660 34.630 26.980 1.00 0.00 C +ATOM 982 HB1 SER 60 18.242 33.606 27.100 1.00 0.00 H +ATOM 983 HB2 SER 60 19.304 34.670 26.076 1.00 0.00 H +ATOM 984 OG SER 60 19.520 34.820 28.070 1.00 0.00 O +ATOM 985 HG1 SER 60 19.040 35.110 28.850 1.00 0.00 H +ATOM 986 C SER 60 16.500 35.220 26.040 1.00 0.00 C +ATOM 987 O SER 60 16.380 35.660 24.910 1.00 0.00 O +ATOM 988 N LYS 61 15.490 34.360 26.520 1.00 0.00 N +ATOM 989 HN LYS 61 15.658 33.836 27.352 1.00 0.00 H +ATOM 990 CA LYS 61 14.290 33.970 25.770 1.00 0.00 C +ATOM 991 HA LYS 61 14.570 33.440 24.872 1.00 0.00 H +ATOM 992 CB LYS 61 13.390 33.030 26.540 1.00 0.00 C +ATOM 993 HB1 LYS 61 13.030 33.620 27.410 1.00 0.00 H +ATOM 994 HB2 LYS 61 12.518 32.760 25.908 1.00 0.00 H +ATOM 995 CG LYS 61 14.020 31.690 26.800 1.00 0.00 C +ATOM 996 HG1 LYS 61 14.400 31.130 25.920 1.00 0.00 H +ATOM 997 HG2 LYS 61 14.966 31.890 27.348 1.00 0.00 H +ATOM 998 CD LYS 61 13.020 30.820 27.470 1.00 0.00 C +ATOM 999 HD1 LYS 61 12.080 30.710 26.890 1.00 0.00 H +ATOM 1000 HD2 LYS 61 13.550 29.850 27.580 1.00 0.00 H +ATOM 1001 CE LYS 61 12.710 31.310 28.840 1.00 0.00 C +ATOM 1002 HE1 LYS 61 13.632 31.460 29.442 1.00 0.00 H +ATOM 1003 HE2 LYS 61 12.250 32.320 28.830 1.00 0.00 H +ATOM 1004 NZ LYS 61 11.800 30.440 29.610 1.00 0.00 N +ATOM 1005 HZ1 LYS 61 10.894 30.600 29.122 1.00 0.00 H +ATOM 1006 HZ2 LYS 61 12.020 29.424 29.600 1.00 0.00 H +ATOM 1007 HZ3 LYS 61 11.720 30.850 30.562 1.00 0.00 H +ATOM 1008 C LYS 61 13.490 35.060 25.260 1.00 0.00 C +ATOM 1009 O LYS 61 12.950 35.010 24.170 1.00 0.00 O +ATOM 1010 N GLN 62 13.180 36.140 25.980 1.00 0.00 N +ATOM 1011 HN GLN 62 13.320 36.180 26.966 1.00 0.00 H +ATOM 1012 CA GLN 62 12.530 37.420 25.530 1.00 0.00 C +ATOM 1013 HA GLN 62 11.528 37.110 25.270 1.00 0.00 H +ATOM 1014 CB GLN 62 12.510 38.480 26.730 1.00 0.00 C +ATOM 1015 HB1 GLN 62 13.558 38.780 26.950 1.00 0.00 H +ATOM 1016 HB2 GLN 62 12.060 39.440 26.400 1.00 0.00 H +ATOM 1017 CG GLN 62 11.670 38.120 28.010 1.00 0.00 C +ATOM 1018 HG1 GLN 62 10.608 38.280 27.730 1.00 0.00 H +ATOM 1019 HG2 GLN 62 11.810 37.066 28.332 1.00 0.00 H +ATOM 1020 CD GLN 62 11.940 39.170 29.110 1.00 0.00 C +ATOM 1021 OE1 GLN 62 12.790 40.050 28.980 1.00 0.00 O +ATOM 1022 NE2 GLN 62 11.100 39.100 30.160 1.00 0.00 N +ATOM 1023 1HE2 GLN 62 10.296 38.508 30.100 1.00 0.00 H +ATOM 1024 2HE2 GLN 62 11.190 39.780 30.888 1.00 0.00 H +ATOM 1025 C GLN 62 13.120 38.040 24.240 1.00 0.00 C +ATOM 1026 O GLN 62 12.330 38.420 23.400 1.00 0.00 O +ATOM 1027 N LEU 63 14.440 38.170 24.110 1.00 0.00 N +ATOM 1028 HN LEU 63 15.012 37.878 24.872 1.00 0.00 H +ATOM 1029 CA LEU 63 15.090 38.870 22.990 1.00 0.00 C +ATOM 1030 HA LEU 63 14.482 39.598 22.472 1.00 0.00 H +ATOM 1031 CB LEU 63 16.330 39.580 23.520 1.00 0.00 C +ATOM 1032 HB1 LEU 63 16.910 38.950 24.230 1.00 0.00 H +ATOM 1033 HB2 LEU 63 16.988 39.800 22.652 1.00 0.00 H +ATOM 1034 CG LEU 63 16.090 40.920 24.180 1.00 0.00 C +ATOM 1035 HG LEU 63 17.152 41.180 24.380 1.00 0.00 H +ATOM 1036 CD1 LEU 63 15.710 42.090 23.240 1.00 0.00 C +ATOM 1037 1HD1 LEU 63 15.890 42.988 23.868 1.00 0.00 H +ATOM 1038 2HD1 LEU 63 16.492 42.320 22.488 1.00 0.00 H +ATOM 1039 3HD1 LEU 63 14.674 41.980 22.852 1.00 0.00 H +ATOM 1040 CD2 LEU 63 15.330 40.940 25.480 1.00 0.00 C +ATOM 1041 1HD2 LEU 63 15.630 40.052 26.078 1.00 0.00 H +ATOM 1042 2HD2 LEU 63 15.540 41.882 26.030 1.00 0.00 H +ATOM 1043 3HD2 LEU 63 14.226 40.960 25.370 1.00 0.00 H +ATOM 1044 C LEU 63 15.520 37.880 21.870 1.00 0.00 C +ATOM 1045 O LEU 63 15.840 38.310 20.760 1.00 0.00 O +ATOM 1046 N THR 64 15.510 36.550 22.080 1.00 0.00 N +ATOM 1047 HN THR 64 15.340 36.140 22.972 1.00 0.00 H +ATOM 1048 CA THR 64 16.130 35.560 21.190 1.00 0.00 C +ATOM 1049 HA THR 64 16.648 36.078 20.394 1.00 0.00 H +ATOM 1050 CB THR 64 17.120 34.680 21.920 1.00 0.00 C +ATOM 1051 HB THR 64 16.610 33.890 22.510 1.00 0.00 H +ATOM 1052 OG1 THR 64 18.030 35.330 22.760 1.00 0.00 O +ATOM 1053 HG1 THR 64 17.506 35.874 23.354 1.00 0.00 H +ATOM 1054 CG2 THR 64 18.020 33.990 20.880 1.00 0.00 C +ATOM 1055 1HG2 THR 64 18.638 34.886 20.652 1.00 0.00 H +ATOM 1056 2HG2 THR 64 18.710 33.210 21.270 1.00 0.00 H +ATOM 1057 3HG2 THR 64 17.488 33.648 19.966 1.00 0.00 H +ATOM 1058 C THR 64 15.100 34.730 20.510 1.00 0.00 C +ATOM 1059 O THR 64 15.270 33.770 19.770 1.00 0.00 O +ATOM 1060 N GLU 65 13.790 34.960 20.890 1.00 0.00 N +ATOM 1061 HN GLU 65 13.660 35.730 21.510 1.00 0.00 H +ATOM 1062 CA GLU 65 12.600 34.160 20.430 1.00 0.00 C +ATOM 1063 HA GLU 65 11.748 34.542 20.972 1.00 0.00 H +ATOM 1064 CB GLU 65 12.310 34.240 18.910 1.00 0.00 C +ATOM 1065 HB1 GLU 65 13.154 33.844 18.304 1.00 0.00 H +ATOM 1066 HB2 GLU 65 11.490 33.560 18.590 1.00 0.00 H +ATOM 1067 CG GLU 65 11.890 35.640 18.340 1.00 0.00 C +ATOM 1068 HG1 GLU 65 12.512 36.424 18.822 1.00 0.00 H +ATOM 1069 HG2 GLU 65 12.122 35.640 17.254 1.00 0.00 H +ATOM 1070 CD GLU 65 10.400 35.970 18.580 1.00 0.00 C +ATOM 1071 OE1 GLU 65 9.450 35.230 18.540 1.00 0.00 O +ATOM 1072 OE2 GLU 65 10.220 37.180 18.990 1.00 0.00 O +ATOM 1073 C GLU 65 12.730 32.720 21.010 1.00 0.00 C +ATOM 1074 O GLU 65 13.090 32.460 22.180 1.00 0.00 O +ATOM 1075 N ASN 66 12.550 31.680 20.060 1.00 0.00 N +ATOM 1076 HN ASN 66 12.188 31.952 19.172 1.00 0.00 H +ATOM 1077 CA ASN 66 12.840 30.220 20.320 1.00 0.00 C +ATOM 1078 HA ASN 66 12.468 29.908 21.284 1.00 0.00 H +ATOM 1079 CB ASN 66 12.360 29.340 19.110 1.00 0.00 C +ATOM 1080 HB1 ASN 66 12.896 29.698 18.206 1.00 0.00 H +ATOM 1081 HB2 ASN 66 12.650 28.272 19.200 1.00 0.00 H +ATOM 1082 CG ASN 66 10.850 29.380 19.110 1.00 0.00 C +ATOM 1083 OD1 ASN 66 10.200 29.080 20.150 1.00 0.00 O +ATOM 1084 ND2 ASN 66 10.270 29.660 17.900 1.00 0.00 N +ATOM 1085 1HD2 ASN 66 10.888 29.770 17.122 1.00 0.00 H +ATOM 1086 2HD2 ASN 66 9.290 29.840 17.830 1.00 0.00 H +ATOM 1087 C ASN 66 14.350 29.960 20.520 1.00 0.00 C +ATOM 1088 O ASN 66 14.680 28.960 21.090 1.00 0.00 O +ATOM 1089 N GLY 67 15.270 30.850 20.100 1.00 0.00 N +ATOM 1090 HN GLY 67 15.030 31.752 19.750 1.00 0.00 H +ATOM 1091 CA GLY 67 16.660 30.690 20.200 1.00 0.00 C +ATOM 1092 HA1 GLY 67 16.928 30.056 19.368 1.00 0.00 H +ATOM 1093 HA2 GLY 67 17.078 31.678 20.070 1.00 0.00 H +ATOM 1094 C GLY 67 17.330 30.080 21.410 1.00 0.00 C +ATOM 1095 O GLY 67 18.080 29.150 21.340 1.00 0.00 O +ATOM 1096 N ALA 68 17.040 30.740 22.540 1.00 0.00 N +ATOM 1097 HN ALA 68 16.442 31.528 22.670 1.00 0.00 H +ATOM 1098 CA ALA 68 17.640 30.330 23.810 1.00 0.00 C +ATOM 1099 HA ALA 68 18.714 30.300 23.710 1.00 0.00 H +ATOM 1100 CB ALA 68 17.160 31.360 24.830 1.00 0.00 C +ATOM 1101 HB1 ALA 68 17.700 31.300 25.800 1.00 0.00 H +ATOM 1102 HB2 ALA 68 17.390 32.370 24.430 1.00 0.00 H +ATOM 1103 HB3 ALA 68 16.062 31.210 24.900 1.00 0.00 H +ATOM 1104 C ALA 68 17.300 28.860 24.270 1.00 0.00 C +ATOM 1105 O ALA 68 18.230 28.120 24.680 1.00 0.00 O +ATOM 1106 N GLU 69 15.950 28.490 24.150 1.00 0.00 N +ATOM 1107 HN GLU 69 15.232 29.148 23.930 1.00 0.00 H +ATOM 1108 CA GLU 69 15.520 27.140 24.390 1.00 0.00 C +ATOM 1109 HA GLU 69 15.960 26.870 25.340 1.00 0.00 H +ATOM 1110 CB GLU 69 14.020 27.180 24.450 1.00 0.00 C +ATOM 1111 HB1 GLU 69 13.710 27.850 23.620 1.00 0.00 H +ATOM 1112 HB2 GLU 69 13.400 26.270 24.310 1.00 0.00 H +ATOM 1113 CG GLU 69 13.530 27.830 25.740 1.00 0.00 C +ATOM 1114 HG1 GLU 69 14.168 28.666 26.098 1.00 0.00 H +ATOM 1115 HG2 GLU 69 12.486 28.132 25.510 1.00 0.00 H +ATOM 1116 CD GLU 69 13.420 26.760 26.850 1.00 0.00 C +ATOM 1117 OE1 GLU 69 14.350 26.060 27.180 1.00 0.00 O +ATOM 1118 OE2 GLU 69 12.230 26.510 27.220 1.00 0.00 O +ATOM 1119 C GLU 69 15.990 26.150 23.360 1.00 0.00 C +ATOM 1120 O GLU 69 16.370 25.030 23.700 1.00 0.00 O +ATOM 1121 N SER 70 16.030 26.560 22.100 1.00 0.00 N +ATOM 1122 HN SER 70 15.810 27.520 21.940 1.00 0.00 H +ATOM 1123 CA SER 70 16.530 25.720 21.030 1.00 0.00 C +ATOM 1124 HA SER 70 16.068 24.758 21.190 1.00 0.00 H +ATOM 1125 CB SER 70 16.100 26.090 19.640 1.00 0.00 C +ATOM 1126 HB1 SER 70 16.340 25.288 18.908 1.00 0.00 H +ATOM 1127 HB2 SER 70 15.034 26.372 19.500 1.00 0.00 H +ATOM 1128 OG SER 70 16.810 27.270 19.320 1.00 0.00 O +ATOM 1129 HG1 SER 70 16.392 27.938 19.868 1.00 0.00 H +ATOM 1130 C SER 70 18.060 25.390 21.060 1.00 0.00 C +ATOM 1131 O SER 70 18.460 24.270 20.860 1.00 0.00 O +ATOM 1132 N VAL 71 18.970 26.360 21.350 1.00 0.00 N +ATOM 1133 HN VAL 71 18.730 27.302 21.570 1.00 0.00 H +ATOM 1134 CA VAL 71 20.400 26.080 21.500 1.00 0.00 C +ATOM 1135 HA VAL 71 20.712 25.418 20.706 1.00 0.00 H +ATOM 1136 CB VAL 71 21.470 27.250 21.380 1.00 0.00 C +ATOM 1137 HB VAL 71 22.450 26.730 21.340 1.00 0.00 H +ATOM 1138 CG1 VAL 71 21.280 28.130 20.160 1.00 0.00 C +ATOM 1139 1HG1 VAL 71 20.460 28.880 20.120 1.00 0.00 H +ATOM 1140 2HG1 VAL 71 22.130 28.830 20.010 1.00 0.00 H +ATOM 1141 3HG1 VAL 71 21.148 27.474 19.274 1.00 0.00 H +ATOM 1142 CG2 VAL 71 21.420 28.240 22.500 1.00 0.00 C +ATOM 1143 1HG2 VAL 71 21.730 27.870 23.500 1.00 0.00 H +ATOM 1144 2HG2 VAL 71 22.138 29.038 22.210 1.00 0.00 H +ATOM 1145 3HG2 VAL 71 20.480 28.830 22.460 1.00 0.00 H +ATOM 1146 C VAL 71 20.690 25.260 22.740 1.00 0.00 C +ATOM 1147 O VAL 71 21.610 24.450 22.730 1.00 0.00 O +ATOM 1148 N LEU 72 19.790 25.430 23.750 1.00 0.00 N +ATOM 1149 HN LEU 72 19.056 26.104 23.700 1.00 0.00 H +ATOM 1150 CA LEU 72 20.000 24.760 25.030 1.00 0.00 C +ATOM 1151 HA LEU 72 20.996 25.022 25.352 1.00 0.00 H +ATOM 1152 CB LEU 72 19.120 25.340 26.120 1.00 0.00 C +ATOM 1153 HB1 LEU 72 19.220 26.446 26.060 1.00 0.00 H +ATOM 1154 HB2 LEU 72 18.060 25.120 25.870 1.00 0.00 H +ATOM 1155 CG LEU 72 19.310 25.010 27.590 1.00 0.00 C +ATOM 1156 HG LEU 72 18.670 25.700 28.180 1.00 0.00 H +ATOM 1157 CD1 LEU 72 18.860 23.610 28.100 1.00 0.00 C +ATOM 1158 1HD1 LEU 72 19.530 22.860 27.630 1.00 0.00 H +ATOM 1159 2HD1 LEU 72 18.940 23.570 29.208 1.00 0.00 H +ATOM 1160 3HD1 LEU 72 17.794 23.490 27.810 1.00 0.00 H +ATOM 1161 CD2 LEU 72 20.680 25.490 28.010 1.00 0.00 C +ATOM 1162 1HD2 LEU 72 21.540 25.030 27.480 1.00 0.00 H +ATOM 1163 2HD2 LEU 72 20.810 26.588 27.890 1.00 0.00 H +ATOM 1164 3HD2 LEU 72 20.830 25.200 29.072 1.00 0.00 H +ATOM 1165 C LEU 72 19.880 23.210 24.940 1.00 0.00 C +ATOM 1166 O LEU 72 20.620 22.430 25.450 1.00 0.00 O +ATOM 1167 N GLN 73 18.880 22.790 24.160 1.00 0.00 N +ATOM 1168 HN GLN 73 18.260 23.430 23.710 1.00 0.00 H +ATOM 1169 CA GLN 73 18.690 21.390 23.990 1.00 0.00 C +ATOM 1170 HA GLN 73 18.770 20.860 24.928 1.00 0.00 H +ATOM 1171 CB GLN 73 17.370 21.010 23.380 1.00 0.00 C +ATOM 1172 HB1 GLN 73 17.340 19.954 23.032 1.00 0.00 H +ATOM 1173 HB2 GLN 73 16.580 21.060 24.160 1.00 0.00 H +ATOM 1174 CG GLN 73 16.930 21.860 22.180 1.00 0.00 C +ATOM 1175 HG1 GLN 73 16.900 22.942 22.430 1.00 0.00 H +ATOM 1176 HG2 GLN 73 17.540 21.730 21.260 1.00 0.00 H +ATOM 1177 CD GLN 73 15.430 21.650 21.820 1.00 0.00 C +ATOM 1178 OE1 GLN 73 14.580 21.280 22.600 1.00 0.00 O +ATOM 1179 NE2 GLN 73 15.090 21.790 20.500 1.00 0.00 N +ATOM 1180 1HE2 GLN 73 15.810 21.860 19.810 1.00 0.00 H +ATOM 1181 2HE2 GLN 73 14.114 21.660 20.320 1.00 0.00 H +ATOM 1182 C GLN 73 19.800 20.800 23.080 1.00 0.00 C +ATOM 1183 O GLN 73 20.200 19.590 23.130 1.00 0.00 O +ATOM 1184 N VAL 74 20.340 21.590 22.070 1.00 0.00 N +ATOM 1185 HN VAL 74 19.950 22.488 21.880 1.00 0.00 H +ATOM 1186 CA VAL 74 21.550 21.100 21.300 1.00 0.00 C +ATOM 1187 HA VAL 74 21.270 20.240 20.710 1.00 0.00 H +ATOM 1188 CB VAL 74 21.960 22.110 20.200 1.00 0.00 C +ATOM 1189 HB VAL 74 21.710 23.166 20.440 1.00 0.00 H +ATOM 1190 CG1 VAL 74 23.420 22.110 19.700 1.00 0.00 C +ATOM 1191 1HG1 VAL 74 23.770 21.130 19.310 1.00 0.00 H +ATOM 1192 2HG1 VAL 74 23.550 22.880 18.910 1.00 0.00 H +ATOM 1193 3HG1 VAL 74 24.114 22.482 20.484 1.00 0.00 H +ATOM 1194 CG2 VAL 74 21.140 21.910 18.940 1.00 0.00 C +ATOM 1195 1HG2 VAL 74 21.330 20.962 18.392 1.00 0.00 H +ATOM 1196 2HG2 VAL 74 20.050 21.930 19.150 1.00 0.00 H +ATOM 1197 3HG2 VAL 74 21.530 22.708 18.272 1.00 0.00 H +ATOM 1198 C VAL 74 22.840 20.780 22.120 1.00 0.00 C +ATOM 1199 O VAL 74 23.610 19.840 21.930 1.00 0.00 O +ATOM 1200 N PHE 75 23.120 21.660 23.140 1.00 0.00 N +ATOM 1201 HN PHE 75 22.540 22.470 23.200 1.00 0.00 H +ATOM 1202 CA PHE 75 24.070 21.320 24.240 1.00 0.00 C +ATOM 1203 HA PHE 75 25.046 21.140 23.812 1.00 0.00 H +ATOM 1204 CB PHE 75 24.070 22.510 25.250 1.00 0.00 C +ATOM 1205 HB1 PHE 75 23.040 22.920 25.190 1.00 0.00 H +ATOM 1206 HB2 PHE 75 24.340 22.310 26.310 1.00 0.00 H +ATOM 1207 CG PHE 75 24.980 23.660 24.740 1.00 0.00 C +ATOM 1208 CD1 PHE 75 24.470 24.920 24.370 1.00 0.00 C +ATOM 1209 HD1 PHE 75 23.400 25.050 24.440 1.00 0.00 H +ATOM 1210 CE1 PHE 75 25.340 26.000 24.240 1.00 0.00 C +ATOM 1211 HE1 PHE 75 24.842 26.946 24.090 1.00 0.00 H +ATOM 1212 CZ PHE 75 26.700 25.900 24.120 1.00 0.00 C +ATOM 1213 HZ PHE 75 27.310 26.740 23.820 1.00 0.00 H +ATOM 1214 CD2 PHE 75 26.370 23.550 24.680 1.00 0.00 C +ATOM 1215 HD2 PHE 75 26.698 22.534 24.840 1.00 0.00 H +ATOM 1216 CE2 PHE 75 27.260 24.610 24.300 1.00 0.00 C +ATOM 1217 HE2 PHE 75 28.310 24.360 24.270 1.00 0.00 H +ATOM 1218 C PHE 75 23.740 20.100 25.070 1.00 0.00 C +ATOM 1219 O PHE 75 24.500 19.160 25.270 1.00 0.00 O +ATOM 1220 N ARG 76 22.430 20.010 25.460 1.00 0.00 N +ATOM 1221 HN ARG 76 21.842 20.786 25.242 1.00 0.00 H +ATOM 1222 CA ARG 76 21.830 18.900 26.170 1.00 0.00 C +ATOM 1223 HA ARG 76 22.340 18.850 27.120 1.00 0.00 H +ATOM 1224 CB ARG 76 20.390 19.230 26.470 1.00 0.00 C +ATOM 1225 HB1 ARG 76 20.270 20.310 26.700 1.00 0.00 H +ATOM 1226 HB2 ARG 76 19.844 18.932 25.548 1.00 0.00 H +ATOM 1227 CG ARG 76 19.830 18.610 27.730 1.00 0.00 C +ATOM 1228 HG1 ARG 76 18.770 18.930 27.810 1.00 0.00 H +ATOM 1229 HG2 ARG 76 19.640 17.518 27.660 1.00 0.00 H +ATOM 1230 CD ARG 76 20.450 19.190 29.030 1.00 0.00 C +ATOM 1231 HD1 ARG 76 21.476 18.762 29.060 1.00 0.00 H +ATOM 1232 HD2 ARG 76 20.510 20.300 29.030 1.00 0.00 H +ATOM 1233 NE ARG 76 19.610 18.730 30.150 1.00 0.00 N +ATOM 1234 HE ARG 76 18.790 19.260 30.360 1.00 0.00 H +ATOM 1235 CZ ARG 76 19.960 17.800 31.010 1.00 0.00 C +ATOM 1236 NH1 ARG 76 20.870 16.880 30.900 1.00 0.00 N +ATOM 1237 1HH1 ARG 76 21.368 16.840 30.034 1.00 0.00 H +ATOM 1238 2HH1 ARG 76 20.960 16.202 31.628 1.00 0.00 H +ATOM 1239 NH2 ARG 76 19.290 17.630 32.150 1.00 0.00 N +ATOM 1240 1HH2 ARG 76 18.950 18.450 32.610 1.00 0.00 H +ATOM 1241 2HH2 ARG 76 19.618 16.972 32.828 1.00 0.00 H +ATOM 1242 C ARG 76 21.930 17.590 25.430 1.00 0.00 C +ATOM 1243 O ARG 76 22.340 16.570 26.000 1.00 0.00 O +ATOM 1244 N GLU 77 21.590 17.570 24.110 1.00 0.00 N +ATOM 1245 HN GLU 77 21.250 18.362 23.608 1.00 0.00 H +ATOM 1246 CA GLU 77 21.780 16.420 23.220 1.00 0.00 C +ATOM 1247 HA GLU 77 21.248 15.618 23.712 1.00 0.00 H +ATOM 1248 CB GLU 77 21.300 16.650 21.780 1.00 0.00 C +ATOM 1249 HB1 GLU 77 21.510 17.696 21.470 1.00 0.00 H +ATOM 1250 HB2 GLU 77 21.570 15.888 21.018 1.00 0.00 H +ATOM 1251 CG GLU 77 19.750 16.630 21.780 1.00 0.00 C +ATOM 1252 HG1 GLU 77 19.520 15.550 21.910 1.00 0.00 H +ATOM 1253 HG2 GLU 77 19.490 17.258 22.658 1.00 0.00 H +ATOM 1254 CD GLU 77 19.060 17.150 20.530 1.00 0.00 C +ATOM 1255 OE1 GLU 77 19.570 17.210 19.340 1.00 0.00 O +ATOM 1256 OE2 GLU 77 17.860 17.520 20.660 1.00 0.00 O +ATOM 1257 C GLU 77 23.230 15.910 23.100 1.00 0.00 C +ATOM 1258 O GLU 77 23.500 14.730 23.090 1.00 0.00 O +ATOM 1259 N ALA 78 24.210 16.890 22.990 1.00 0.00 N +ATOM 1260 HN ALA 78 23.918 17.844 22.990 1.00 0.00 H +ATOM 1261 CA ALA 78 25.630 16.630 23.030 1.00 0.00 C +ATOM 1262 HA ALA 78 25.892 15.946 22.236 1.00 0.00 H +ATOM 1263 CB ALA 78 26.380 18.010 22.950 1.00 0.00 C +ATOM 1264 HB1 ALA 78 25.838 18.822 23.482 1.00 0.00 H +ATOM 1265 HB2 ALA 78 27.472 18.130 23.110 1.00 0.00 H +ATOM 1266 HB3 ALA 78 26.260 18.398 21.916 1.00 0.00 H +ATOM 1267 C ALA 78 26.110 15.950 24.340 1.00 0.00 C +ATOM 1268 O ALA 78 26.850 14.980 24.370 1.00 0.00 O +ATOM 1269 N LYS 79 25.620 16.490 25.480 1.00 0.00 N +ATOM 1270 HN LYS 79 25.076 17.324 25.450 1.00 0.00 H +ATOM 1271 CA LYS 79 25.930 15.860 26.810 1.00 0.00 C +ATOM 1272 HA LYS 79 26.990 15.698 26.942 1.00 0.00 H +ATOM 1273 CB LYS 79 25.220 16.800 27.970 1.00 0.00 C +ATOM 1274 HB1 LYS 79 25.692 17.792 27.810 1.00 0.00 H +ATOM 1275 HB2 LYS 79 24.172 16.950 27.630 1.00 0.00 H +ATOM 1276 CG LYS 79 25.420 16.410 29.410 1.00 0.00 C +ATOM 1277 HG1 LYS 79 25.000 15.410 29.650 1.00 0.00 H +ATOM 1278 HG2 LYS 79 26.502 16.440 29.660 1.00 0.00 H +ATOM 1279 CD LYS 79 24.810 17.490 30.420 1.00 0.00 C +ATOM 1280 HD1 LYS 79 25.442 18.402 30.350 1.00 0.00 H +ATOM 1281 HD2 LYS 79 23.786 17.710 30.048 1.00 0.00 H +ATOM 1282 CE LYS 79 24.600 16.890 31.830 1.00 0.00 C +ATOM 1283 HE1 LYS 79 24.110 17.670 32.450 1.00 0.00 H +ATOM 1284 HE2 LYS 79 24.080 15.910 31.760 1.00 0.00 H +ATOM 1285 NZ LYS 79 25.930 16.510 32.400 1.00 0.00 N +ATOM 1286 HZ1 LYS 79 26.442 15.756 31.898 1.00 0.00 H +ATOM 1287 HZ2 LYS 79 26.370 17.452 32.420 1.00 0.00 H +ATOM 1288 HZ3 LYS 79 25.770 16.188 33.376 1.00 0.00 H +ATOM 1289 C LYS 79 25.300 14.480 26.880 1.00 0.00 C +ATOM 1290 O LYS 79 25.840 13.640 27.570 1.00 0.00 O +ATOM 1291 N ALA 80 24.170 14.230 26.250 1.00 0.00 N +ATOM 1292 HN ALA 80 23.840 14.962 25.658 1.00 0.00 H +ATOM 1293 CA ALA 80 23.390 13.030 26.310 1.00 0.00 C +ATOM 1294 HA ALA 80 23.400 12.662 27.326 1.00 0.00 H +ATOM 1295 CB ALA 80 21.970 13.180 25.770 1.00 0.00 C +ATOM 1296 HB1 ALA 80 21.240 12.400 26.080 1.00 0.00 H +ATOM 1297 HB2 ALA 80 21.532 14.156 26.068 1.00 0.00 H +ATOM 1298 HB3 ALA 80 22.030 13.130 24.662 1.00 0.00 H +ATOM 1299 C ALA 80 24.120 11.970 25.440 1.00 0.00 C +ATOM 1300 O ALA 80 23.920 10.770 25.650 1.00 0.00 O +ATOM 1301 N GLU 81 24.890 12.370 24.450 1.00 0.00 N +ATOM 1302 HN GLU 81 24.940 13.346 24.258 1.00 0.00 H +ATOM 1303 CA GLU 81 25.800 11.610 23.590 1.00 0.00 C +ATOM 1304 HA GLU 81 25.260 10.688 23.430 1.00 0.00 H +ATOM 1305 CB GLU 81 26.160 12.530 22.330 1.00 0.00 C +ATOM 1306 HB1 GLU 81 25.238 13.092 22.070 1.00 0.00 H +ATOM 1307 HB2 GLU 81 26.918 13.228 22.748 1.00 0.00 H +ATOM 1308 CG GLU 81 26.770 11.790 21.100 1.00 0.00 C +ATOM 1309 HG1 GLU 81 27.190 12.552 20.408 1.00 0.00 H +ATOM 1310 HG2 GLU 81 27.624 11.126 21.352 1.00 0.00 H +ATOM 1311 CD GLU 81 25.710 11.080 20.270 1.00 0.00 C +ATOM 1312 OE1 GLU 81 24.470 11.190 20.500 1.00 0.00 O +ATOM 1313 OE2 GLU 81 26.170 10.580 19.240 1.00 0.00 O +ATOM 1314 C GLU 81 27.100 11.190 24.300 1.00 0.00 C +ATOM 1315 O GLU 81 27.660 10.090 24.250 1.00 0.00 O +ATOM 1316 N GLY 82 27.400 12.000 25.320 1.00 0.00 N +ATOM 1317 HN GLY 82 27.000 12.912 25.290 1.00 0.00 H +ATOM 1318 CA GLY 82 28.430 11.650 26.400 1.00 0.00 C +ATOM 1319 HA1 GLY 82 27.932 11.700 27.358 1.00 0.00 H +ATOM 1320 HA2 GLY 82 28.862 10.696 26.138 1.00 0.00 H +ATOM 1321 C GLY 82 29.510 12.640 26.530 1.00 0.00 C +ATOM 1322 O GLY 82 30.560 12.390 27.170 1.00 0.00 O +ATOM 1323 N CYS 83 29.320 13.790 25.850 1.00 0.00 N +ATOM 1324 HN CYS 83 28.500 13.990 25.320 1.00 0.00 H +ATOM 1325 CA CYS 83 30.230 14.900 26.120 1.00 0.00 C +ATOM 1326 HA CYS 83 31.254 14.700 25.840 1.00 0.00 H +ATOM 1327 CB CYS 83 29.970 16.130 25.240 1.00 0.00 C +ATOM 1328 HB1 CYS 83 28.918 16.440 25.410 1.00 0.00 H +ATOM 1329 HB2 CYS 83 30.590 16.990 25.570 1.00 0.00 H +ATOM 1330 SG CYS 83 30.160 15.750 23.410 1.00 0.00 S +ATOM 1331 HG1 CYS 83 31.312 16.396 23.310 1.00 0.00 H +ATOM 1332 C CYS 83 30.170 15.350 27.640 1.00 0.00 C +ATOM 1333 O CYS 83 29.060 15.510 28.260 1.00 0.00 O +ATOM 1334 N ASP 84 31.330 15.680 28.260 1.00 0.00 N +ATOM 1335 HN ASP 84 32.188 15.390 27.842 1.00 0.00 H +ATOM 1336 CA ASP 84 31.370 16.140 29.650 1.00 0.00 C +ATOM 1337 HA ASP 84 30.624 15.622 30.236 1.00 0.00 H +ATOM 1338 CB ASP 84 32.680 15.910 30.360 1.00 0.00 C +ATOM 1339 HB1 ASP 84 33.130 14.960 30.000 1.00 0.00 H +ATOM 1340 HB2 ASP 84 33.382 16.722 30.078 1.00 0.00 H +ATOM 1341 CG ASP 84 32.430 15.980 31.860 1.00 0.00 C +ATOM 1342 OD1 ASP 84 31.570 16.770 32.320 1.00 0.00 O +ATOM 1343 OD2 ASP 84 33.260 15.420 32.640 1.00 0.00 O +ATOM 1344 C ASP 84 31.080 17.680 29.640 1.00 0.00 C +ATOM 1345 O ASP 84 31.950 18.520 29.370 1.00 0.00 O +ATOM 1346 N ILE 85 29.740 17.990 29.790 1.00 0.00 N +ATOM 1347 HN ILE 85 29.040 17.280 29.800 1.00 0.00 H +ATOM 1348 CA ILE 85 29.180 19.240 29.840 1.00 0.00 C +ATOM 1349 HA ILE 85 29.888 20.056 29.820 1.00 0.00 H +ATOM 1350 CB ILE 85 28.220 19.490 28.710 1.00 0.00 C +ATOM 1351 HB ILE 85 27.582 18.592 28.570 1.00 0.00 H +ATOM 1352 CG2 ILE 85 27.180 20.590 29.030 1.00 0.00 C +ATOM 1353 1HG2 ILE 85 26.576 20.770 28.116 1.00 0.00 H +ATOM 1354 2HG2 ILE 85 26.460 20.420 29.860 1.00 0.00 H +ATOM 1355 3HG2 ILE 85 27.652 21.552 29.320 1.00 0.00 H +ATOM 1356 CG1 ILE 85 28.990 19.730 27.350 1.00 0.00 C +ATOM 1357 1HG1 ILE 85 29.482 20.722 27.440 1.00 0.00 H +ATOM 1358 2HG1 ILE 85 29.746 18.924 27.230 1.00 0.00 H +ATOM 1359 CD ILE 85 28.090 19.610 26.100 1.00 0.00 C +ATOM 1360 HD1 ILE 85 27.772 18.546 26.060 1.00 0.00 H +ATOM 1361 HD2 ILE 85 27.214 20.288 26.020 1.00 0.00 H +ATOM 1362 HD3 ILE 85 28.878 19.690 25.322 1.00 0.00 H +ATOM 1363 C ILE 85 28.500 19.330 31.120 1.00 0.00 C +ATOM 1364 O ILE 85 27.810 18.390 31.550 1.00 0.00 O +ATOM 1365 N THR 86 28.640 20.510 31.790 1.00 0.00 N +ATOM 1366 HN THR 86 29.294 21.164 31.418 1.00 0.00 H +ATOM 1367 CA THR 86 27.940 20.910 32.950 1.00 0.00 C +ATOM 1368 HA THR 86 27.110 20.230 33.080 1.00 0.00 H +ATOM 1369 CB THR 86 28.730 20.910 34.280 1.00 0.00 C +ATOM 1370 HB THR 86 28.216 21.606 34.976 1.00 0.00 H +ATOM 1371 OG1 THR 86 30.100 21.340 34.080 1.00 0.00 O +ATOM 1372 HG1 THR 86 30.330 21.000 33.212 1.00 0.00 H +ATOM 1373 CG2 THR 86 28.820 19.490 34.850 1.00 0.00 C +ATOM 1374 1HG2 THR 86 29.368 18.832 34.142 1.00 0.00 H +ATOM 1375 2HG2 THR 86 29.620 19.450 35.620 1.00 0.00 H +ATOM 1376 3HG2 THR 86 27.802 19.060 34.960 1.00 0.00 H +ATOM 1377 C THR 86 27.240 22.180 32.740 1.00 0.00 C +ATOM 1378 O THR 86 27.840 23.080 32.210 1.00 0.00 O +ATOM 1379 N ILE 87 25.960 22.240 33.010 1.00 0.00 N +ATOM 1380 HN ILE 87 25.552 21.562 33.618 1.00 0.00 H +ATOM 1381 CA ILE 87 25.140 23.390 32.700 1.00 0.00 C +ATOM 1382 HA ILE 87 25.772 24.172 32.308 1.00 0.00 H +ATOM 1383 CB ILE 87 24.130 23.310 31.570 1.00 0.00 C +ATOM 1384 HB ILE 87 23.640 24.290 31.390 1.00 0.00 H +ATOM 1385 CG2 ILE 87 24.770 22.810 30.260 1.00 0.00 C +ATOM 1386 1HG2 ILE 87 25.518 23.568 29.940 1.00 0.00 H +ATOM 1387 2HG2 ILE 87 25.078 21.744 30.310 1.00 0.00 H +ATOM 1388 3HG2 ILE 87 23.896 22.850 29.576 1.00 0.00 H +ATOM 1389 CG1 ILE 87 22.930 22.330 31.800 1.00 0.00 C +ATOM 1390 1HG1 ILE 87 22.330 22.760 32.630 1.00 0.00 H +ATOM 1391 2HG1 ILE 87 22.278 22.220 30.908 1.00 0.00 H +ATOM 1392 CD ILE 87 23.310 20.910 32.200 1.00 0.00 C +ATOM 1393 HD1 ILE 87 22.460 20.200 32.280 1.00 0.00 H +ATOM 1394 HD2 ILE 87 24.100 20.560 31.500 1.00 0.00 H +ATOM 1395 HD3 ILE 87 23.752 20.800 33.214 1.00 0.00 H +ATOM 1396 C ILE 87 24.470 24.040 33.890 1.00 0.00 C +ATOM 1397 O ILE 87 23.750 23.330 34.610 1.00 0.00 O +ATOM 1398 N ILE 88 24.630 25.350 34.060 1.00 0.00 N +ATOM 1399 HN ILE 88 25.270 25.740 33.402 1.00 0.00 H +ATOM 1400 CA ILE 88 24.160 26.120 35.160 1.00 0.00 C +ATOM 1401 HA ILE 88 23.662 25.562 35.938 1.00 0.00 H +ATOM 1402 CB ILE 88 25.350 26.810 35.920 1.00 0.00 C +ATOM 1403 HB ILE 88 25.818 27.508 35.192 1.00 0.00 H +ATOM 1404 CG2 ILE 88 24.660 27.530 37.150 1.00 0.00 C +ATOM 1405 1HG2 ILE 88 24.104 26.864 37.846 1.00 0.00 H +ATOM 1406 2HG2 ILE 88 25.328 28.148 37.788 1.00 0.00 H +ATOM 1407 3HG2 ILE 88 23.930 28.250 36.720 1.00 0.00 H +ATOM 1408 CG1 ILE 88 26.450 25.770 36.230 1.00 0.00 C +ATOM 1409 1HG1 ILE 88 26.758 26.068 37.256 1.00 0.00 H +ATOM 1410 2HG1 ILE 88 26.064 24.738 36.378 1.00 0.00 H +ATOM 1411 CD ILE 88 27.720 25.720 35.440 1.00 0.00 C +ATOM 1412 HD1 ILE 88 28.400 26.600 35.470 1.00 0.00 H +ATOM 1413 HD2 ILE 88 28.412 24.908 35.750 1.00 0.00 H +ATOM 1414 HD3 ILE 88 27.518 25.538 34.364 1.00 0.00 H +ATOM 1415 C ILE 88 23.250 27.090 34.510 1.00 0.00 C +ATOM 1416 O ILE 88 23.690 27.840 33.620 1.00 0.00 O +ATOM 1417 N LEU 89 21.960 27.130 34.930 1.00 0.00 N +ATOM 1418 HN LEU 89 21.640 26.642 35.738 1.00 0.00 H +ATOM 1419 CA LEU 89 21.030 28.040 34.310 1.00 0.00 C +ATOM 1420 HA LEU 89 21.558 28.736 33.674 1.00 0.00 H +ATOM 1421 CB LEU 89 19.870 27.190 33.650 1.00 0.00 C +ATOM 1422 HB1 LEU 89 19.548 26.354 34.306 1.00 0.00 H +ATOM 1423 HB2 LEU 89 19.036 27.924 33.630 1.00 0.00 H +ATOM 1424 CG LEU 89 20.250 26.680 32.310 1.00 0.00 C +ATOM 1425 HG LEU 89 21.056 27.328 31.902 1.00 0.00 H +ATOM 1426 CD1 LEU 89 20.790 25.200 32.480 1.00 0.00 C +ATOM 1427 1HD1 LEU 89 20.062 24.652 33.118 1.00 0.00 H +ATOM 1428 2HD1 LEU 89 20.950 24.618 31.548 1.00 0.00 H +ATOM 1429 3HD1 LEU 89 21.706 25.200 33.108 1.00 0.00 H +ATOM 1430 CD2 LEU 89 19.070 26.610 31.340 1.00 0.00 C +ATOM 1431 1HD2 LEU 89 18.530 27.558 31.130 1.00 0.00 H +ATOM 1432 2HD2 LEU 89 19.470 26.280 30.358 1.00 0.00 H +ATOM 1433 3HD2 LEU 89 18.256 25.914 31.638 1.00 0.00 H +ATOM 1434 C LEU 89 20.390 28.890 35.380 1.00 0.00 C +ATOM 1435 O LEU 89 19.640 28.310 36.160 1.00 0.00 O +ATOM 1436 N SER 90 20.590 30.180 35.420 1.00 0.00 N +ATOM 1437 HN SER 90 21.262 30.572 34.798 1.00 0.00 H +ATOM 1438 CA SER 90 20.090 30.990 36.510 1.00 0.00 C +ATOM 1439 HA SER 90 19.582 30.372 37.236 1.00 0.00 H +ATOM 1440 CB SER 90 21.190 31.950 37.200 1.00 0.00 C +ATOM 1441 HB1 SER 90 21.672 32.544 36.396 1.00 0.00 H +ATOM 1442 HB2 SER 90 20.810 32.782 37.832 1.00 0.00 H +ATOM 1443 OG SER 90 22.190 31.190 37.810 1.00 0.00 O +ATOM 1444 HG1 SER 90 21.692 30.722 38.486 1.00 0.00 H +ATOM 1445 C SER 90 18.890 31.690 35.810 1.00 0.00 C +ATOM 1446 OT1 SER 90 19.040 32.470 34.790 1.00 0.00 O +ATOM 1447 OT2 SER 90 17.730 31.460 36.290 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1b8d_K.pdb b/data/PDBs/1b8d_K.pdb new file mode 100644 index 0000000000000000000000000000000000000000..009793d5aeb3501d382f92db6c0faed9d54345ea --- /dev/null +++ b/data/PDBs/1b8d_K.pdb @@ -0,0 +1,2460 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 77.879 70.229 46.777 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N MET 1 45.110 48.710 19.310 1.00 0.00 N +ATOM 2 H1 MET 1 44.084 48.870 19.240 1.00 0.00 H +ATOM 3 H2 MET 1 45.630 49.478 19.780 1.00 0.00 H +ATOM 4 H3 MET 1 45.378 48.740 18.306 1.00 0.00 H +ATOM 5 CA MET 1 45.530 47.340 19.720 1.00 0.00 C +ATOM 6 HA MET 1 44.738 46.678 20.040 1.00 0.00 H +ATOM 7 CB MET 1 46.260 46.630 18.480 1.00 0.00 C +ATOM 8 HB1 MET 1 47.112 47.220 18.080 1.00 0.00 H +ATOM 9 HB2 MET 1 46.688 45.664 18.828 1.00 0.00 H +ATOM 10 CG MET 1 45.330 46.370 17.380 1.00 0.00 C +ATOM 11 HG1 MET 1 44.768 47.324 17.290 1.00 0.00 H +ATOM 12 HG2 MET 1 45.998 46.230 16.502 1.00 0.00 H +ATOM 13 SD MET 1 44.160 44.920 17.720 1.00 0.00 S +ATOM 14 CE MET 1 42.630 45.910 17.390 1.00 0.00 C +ATOM 15 HE1 MET 1 42.450 46.700 18.150 1.00 0.00 H +ATOM 16 HE2 MET 1 42.750 46.348 16.376 1.00 0.00 H +ATOM 17 HE3 MET 1 41.740 45.260 17.260 1.00 0.00 H +ATOM 18 C MET 1 46.440 47.220 20.870 1.00 0.00 C +ATOM 19 O MET 1 47.660 46.980 20.670 1.00 0.00 O +ATOM 20 N LYS 2 45.930 47.150 22.120 1.00 0.00 N +ATOM 21 HN LYS 2 44.990 47.450 22.260 1.00 0.00 H +ATOM 22 CA LYS 2 46.620 46.970 23.390 1.00 0.00 C +ATOM 23 HA LYS 2 47.290 47.810 23.510 1.00 0.00 H +ATOM 24 CB LYS 2 45.690 47.040 24.630 1.00 0.00 C +ATOM 25 HB1 LYS 2 44.990 47.900 24.560 1.00 0.00 H +ATOM 26 HB2 LYS 2 44.956 46.206 24.640 1.00 0.00 H +ATOM 27 CG LYS 2 46.420 46.960 25.950 1.00 0.00 C +ATOM 28 HG1 LYS 2 46.830 45.950 26.170 1.00 0.00 H +ATOM 29 HG2 LYS 2 47.328 47.598 25.880 1.00 0.00 H +ATOM 30 CD LYS 2 45.530 47.410 27.110 1.00 0.00 C +ATOM 31 HD1 LYS 2 45.380 48.510 27.170 1.00 0.00 H +ATOM 32 HD2 LYS 2 44.544 46.912 26.990 1.00 0.00 H +ATOM 33 CE LYS 2 46.210 47.040 28.400 1.00 0.00 C +ATOM 34 HE1 LYS 2 45.380 46.930 29.130 1.00 0.00 H +ATOM 35 HE2 LYS 2 46.680 46.038 28.490 1.00 0.00 H +ATOM 36 NZ LYS 2 47.170 48.040 28.950 1.00 0.00 N +ATOM 37 HZ1 LYS 2 47.558 47.702 29.854 1.00 0.00 H +ATOM 38 HZ2 LYS 2 47.890 48.170 28.210 1.00 0.00 H +ATOM 39 HZ3 LYS 2 46.610 48.888 29.170 1.00 0.00 H +ATOM 40 C LYS 2 47.520 45.770 23.330 1.00 0.00 C +ATOM 41 O LYS 2 47.140 44.680 22.920 1.00 0.00 O +ATOM 42 N SER 3 48.840 45.950 23.730 1.00 0.00 N +ATOM 43 HN SER 3 49.172 46.794 24.142 1.00 0.00 H +ATOM 44 CA SER 3 49.920 44.950 23.710 1.00 0.00 C +ATOM 45 HA SER 3 49.592 44.018 24.146 1.00 0.00 H +ATOM 46 CB SER 3 50.570 44.780 22.280 1.00 0.00 C +ATOM 47 HB1 SER 3 51.310 43.950 22.260 1.00 0.00 H +ATOM 48 HB2 SER 3 49.740 44.570 21.570 1.00 0.00 H +ATOM 49 OG SER 3 51.270 45.920 21.800 1.00 0.00 O +ATOM 50 HG1 SER 3 50.638 46.642 21.800 1.00 0.00 H +ATOM 51 C SER 3 51.060 45.470 24.560 1.00 0.00 C +ATOM 52 O SER 3 51.100 46.660 24.880 1.00 0.00 O +ATOM 53 N VAL 4 52.110 44.660 24.850 1.00 0.00 N +ATOM 54 HN VAL 4 52.010 43.728 24.510 1.00 0.00 H +ATOM 55 CA VAL 4 53.330 45.130 25.600 1.00 0.00 C +ATOM 56 HA VAL 4 52.998 45.392 26.594 1.00 0.00 H +ATOM 57 CB VAL 4 54.270 43.950 25.720 1.00 0.00 C +ATOM 58 HB VAL 4 54.460 43.518 24.714 1.00 0.00 H +ATOM 59 CG1 VAL 4 55.510 44.380 26.360 1.00 0.00 C +ATOM 60 1HG1 VAL 4 56.062 45.172 25.808 1.00 0.00 H +ATOM 61 2HG1 VAL 4 55.270 44.770 27.372 1.00 0.00 H +ATOM 62 3HG1 VAL 4 56.150 43.480 26.490 1.00 0.00 H +ATOM 63 CG2 VAL 4 53.620 42.920 26.620 1.00 0.00 C +ATOM 64 1HG2 VAL 4 54.350 42.130 26.900 1.00 0.00 H +ATOM 65 2HG2 VAL 4 53.146 43.374 27.516 1.00 0.00 H +ATOM 66 3HG2 VAL 4 52.888 42.398 25.968 1.00 0.00 H +ATOM 67 C VAL 4 53.970 46.280 24.880 1.00 0.00 C +ATOM 68 O VAL 4 54.240 47.300 25.460 1.00 0.00 O +ATOM 69 N ILE 5 54.160 46.220 23.490 1.00 0.00 N +ATOM 70 HN ILE 5 53.778 45.396 23.078 1.00 0.00 H +ATOM 71 CA ILE 5 54.880 47.190 22.670 1.00 0.00 C +ATOM 72 HA ILE 5 55.816 47.400 23.168 1.00 0.00 H +ATOM 73 CB ILE 5 55.260 46.640 21.260 1.00 0.00 C +ATOM 74 HB ILE 5 54.312 46.380 20.742 1.00 0.00 H +ATOM 75 CG2 ILE 5 55.940 47.800 20.530 1.00 0.00 C +ATOM 76 1HG2 ILE 5 56.380 47.360 19.610 1.00 0.00 H +ATOM 77 2HG2 ILE 5 55.304 48.684 20.312 1.00 0.00 H +ATOM 78 3HG2 ILE 5 56.770 48.150 21.180 1.00 0.00 H +ATOM 79 CG1 ILE 5 56.140 45.350 21.300 1.00 0.00 C +ATOM 80 1HG1 ILE 5 57.158 45.790 21.370 1.00 0.00 H +ATOM 81 2HG1 ILE 5 56.100 44.606 22.124 1.00 0.00 H +ATOM 82 CD ILE 5 56.000 44.640 19.970 1.00 0.00 C +ATOM 83 HD1 ILE 5 56.230 45.242 19.066 1.00 0.00 H +ATOM 84 HD2 ILE 5 56.630 43.730 19.880 1.00 0.00 H +ATOM 85 HD3 ILE 5 54.970 44.230 19.910 1.00 0.00 H +ATOM 86 C ILE 5 54.080 48.480 22.590 1.00 0.00 C +ATOM 87 O ILE 5 54.570 49.570 22.950 1.00 0.00 O +ATOM 88 N THR 6 52.770 48.410 22.340 1.00 0.00 N +ATOM 89 HN THR 6 52.278 47.546 22.260 1.00 0.00 H +ATOM 90 CA THR 6 51.940 49.590 22.190 1.00 0.00 C +ATOM 91 HA THR 6 52.478 50.328 21.612 1.00 0.00 H +ATOM 92 CB THR 6 50.630 49.320 21.430 1.00 0.00 C +ATOM 93 HB THR 6 49.986 50.216 21.540 1.00 0.00 H +ATOM 94 OG1 THR 6 49.880 48.190 21.930 1.00 0.00 O +ATOM 95 HG1 THR 6 49.038 48.320 21.488 1.00 0.00 H +ATOM 96 CG2 THR 6 50.810 49.020 19.960 1.00 0.00 C +ATOM 97 1HG2 THR 6 49.844 48.828 19.446 1.00 0.00 H +ATOM 98 2HG2 THR 6 51.332 49.874 19.478 1.00 0.00 H +ATOM 99 3HG2 THR 6 51.406 48.096 19.800 1.00 0.00 H +ATOM 100 C THR 6 51.530 50.340 23.450 1.00 0.00 C +ATOM 101 O THR 6 51.650 51.570 23.500 1.00 0.00 O +ATOM 102 N THR 7 51.230 49.690 24.600 1.00 0.00 N +ATOM 103 HN THR 7 51.100 48.702 24.560 1.00 0.00 H +ATOM 104 CA THR 7 51.170 50.340 25.850 1.00 0.00 C +ATOM 105 HA THR 7 50.304 50.984 25.840 1.00 0.00 H +ATOM 106 CB THR 7 50.950 49.230 26.870 1.00 0.00 C +ATOM 107 HB THR 7 51.668 48.382 26.840 1.00 0.00 H +ATOM 108 OG1 THR 7 49.630 48.690 26.830 1.00 0.00 O +ATOM 109 HG1 THR 7 49.670 47.736 26.730 1.00 0.00 H +ATOM 110 CG2 THR 7 51.110 49.790 28.310 1.00 0.00 C +ATOM 111 1HG2 THR 7 50.792 49.004 29.028 1.00 0.00 H +ATOM 112 2HG2 THR 7 52.174 50.010 28.540 1.00 0.00 H +ATOM 113 3HG2 THR 7 50.388 50.632 28.380 1.00 0.00 H +ATOM 114 C THR 7 52.450 51.160 26.280 1.00 0.00 C +ATOM 115 O THR 7 52.330 52.330 26.570 1.00 0.00 O +ATOM 116 N THR 8 53.680 50.570 26.260 1.00 0.00 N +ATOM 117 HN THR 8 53.660 49.590 26.080 1.00 0.00 H +ATOM 118 CA THR 8 54.930 51.350 26.460 1.00 0.00 C +ATOM 119 HA THR 8 54.710 51.810 27.412 1.00 0.00 H +ATOM 120 CB THR 8 56.130 50.400 26.740 1.00 0.00 C +ATOM 121 HB THR 8 55.792 49.346 26.830 1.00 0.00 H +ATOM 122 OG1 THR 8 56.730 50.750 27.980 1.00 0.00 O +ATOM 123 HG1 THR 8 57.386 51.446 27.890 1.00 0.00 H +ATOM 124 CG2 THR 8 57.200 50.440 25.650 1.00 0.00 C +ATOM 125 1HG2 THR 8 58.008 49.732 25.930 1.00 0.00 H +ATOM 126 2HG2 THR 8 56.666 50.004 24.778 1.00 0.00 H +ATOM 127 3HG2 THR 8 57.550 51.470 25.430 1.00 0.00 H +ATOM 128 C THR 8 55.170 52.490 25.500 1.00 0.00 C +ATOM 129 O THR 8 55.500 53.580 25.880 1.00 0.00 O +ATOM 130 N ILE 9 54.920 52.290 24.150 1.00 0.00 N +ATOM 131 HN ILE 9 54.760 51.374 23.792 1.00 0.00 H +ATOM 132 CA ILE 9 55.050 53.440 23.220 1.00 0.00 C +ATOM 133 HA ILE 9 56.052 53.812 23.370 1.00 0.00 H +ATOM 134 CB ILE 9 54.950 53.080 21.750 1.00 0.00 C +ATOM 135 HB ILE 9 53.982 52.630 21.440 1.00 0.00 H +ATOM 136 CG2 ILE 9 55.030 54.350 20.790 1.00 0.00 C +ATOM 137 1HG2 ILE 9 55.310 53.990 19.778 1.00 0.00 H +ATOM 138 2HG2 ILE 9 53.976 54.702 20.770 1.00 0.00 H +ATOM 139 3HG2 ILE 9 55.796 55.126 21.000 1.00 0.00 H +ATOM 140 CG1 ILE 9 56.100 52.010 21.460 1.00 0.00 C +ATOM 141 1HG1 ILE 9 57.038 52.548 21.720 1.00 0.00 H +ATOM 142 2HG1 ILE 9 55.980 51.214 22.226 1.00 0.00 H +ATOM 143 CD ILE 9 56.300 51.510 20.010 1.00 0.00 C +ATOM 144 HD1 ILE 9 56.902 50.576 20.000 1.00 0.00 H +ATOM 145 HD2 ILE 9 55.290 51.290 19.600 1.00 0.00 H +ATOM 146 HD3 ILE 9 56.856 52.206 19.344 1.00 0.00 H +ATOM 147 C ILE 9 54.040 54.550 23.590 1.00 0.00 C +ATOM 148 O ILE 9 54.250 55.770 23.450 1.00 0.00 O +ATOM 149 N SER 10 52.800 54.230 23.900 1.00 0.00 N +ATOM 150 HN SER 10 52.560 53.262 23.940 1.00 0.00 H +ATOM 151 CA SER 10 51.750 55.140 24.130 1.00 0.00 C +ATOM 152 HA SER 10 51.730 55.878 23.342 1.00 0.00 H +ATOM 153 CB SER 10 50.440 54.390 24.360 1.00 0.00 C +ATOM 154 HB1 SER 10 50.320 53.792 25.288 1.00 0.00 H +ATOM 155 HB2 SER 10 49.638 55.122 24.600 1.00 0.00 H +ATOM 156 OG SER 10 50.140 53.630 23.230 1.00 0.00 O +ATOM 157 HG1 SER 10 50.772 52.916 23.340 1.00 0.00 H +ATOM 158 C SER 10 52.090 56.040 25.350 1.00 0.00 C +ATOM 159 O SER 10 51.880 57.250 25.350 1.00 0.00 O +ATOM 160 N ALA 11 52.670 55.440 26.380 1.00 0.00 N +ATOM 161 HN ALA 11 52.968 54.488 26.330 1.00 0.00 H +ATOM 162 CA ALA 11 53.280 56.080 27.550 1.00 0.00 C +ATOM 163 HA ALA 11 52.536 56.712 28.012 1.00 0.00 H +ATOM 164 CB ALA 11 53.700 54.980 28.520 1.00 0.00 C +ATOM 165 HB1 ALA 11 52.790 54.440 28.860 1.00 0.00 H +ATOM 166 HB2 ALA 11 54.392 54.278 28.008 1.00 0.00 H +ATOM 167 HB3 ALA 11 54.090 55.430 29.458 1.00 0.00 H +ATOM 168 C ALA 11 54.500 57.000 27.240 1.00 0.00 C +ATOM 169 O ALA 11 54.650 58.100 27.840 1.00 0.00 O +ATOM 170 N ALA 12 55.380 56.580 26.300 1.00 0.00 N +ATOM 171 HN ALA 12 55.320 55.750 25.750 1.00 0.00 H +ATOM 172 CA ALA 12 56.470 57.350 25.760 1.00 0.00 C +ATOM 173 HA ALA 12 57.014 57.692 26.626 1.00 0.00 H +ATOM 174 CB ALA 12 57.290 56.460 24.840 1.00 0.00 C +ATOM 175 HB1 ALA 12 58.272 56.926 24.612 1.00 0.00 H +ATOM 176 HB2 ALA 12 57.612 55.606 25.472 1.00 0.00 H +ATOM 177 HB3 ALA 12 56.710 56.170 23.938 1.00 0.00 H +ATOM 178 C ALA 12 56.040 58.600 24.950 1.00 0.00 C +ATOM 179 O ALA 12 56.620 59.640 25.220 1.00 0.00 O +ATOM 180 N ASP 13 55.040 58.520 24.150 1.00 0.00 N +ATOM 181 HN ASP 13 54.662 57.614 23.970 1.00 0.00 H +ATOM 182 CA ASP 13 54.510 59.590 23.320 1.00 0.00 C +ATOM 183 HA ASP 13 55.342 60.062 22.818 1.00 0.00 H +ATOM 184 CB ASP 13 53.590 59.000 22.210 1.00 0.00 C +ATOM 185 HB1 ASP 13 54.040 58.090 21.760 1.00 0.00 H +ATOM 186 HB2 ASP 13 52.612 58.642 22.598 1.00 0.00 H +ATOM 187 CG ASP 13 53.330 59.990 21.110 1.00 0.00 C +ATOM 188 OD1 ASP 13 54.190 60.650 20.570 1.00 0.00 O +ATOM 189 OD2 ASP 13 52.140 59.950 20.660 1.00 0.00 O +ATOM 190 C ASP 13 53.800 60.640 24.150 1.00 0.00 C +ATOM 191 O ASP 13 53.970 61.800 23.900 1.00 0.00 O +ATOM 192 N ALA 14 53.140 60.200 25.200 1.00 0.00 N +ATOM 193 HN ALA 14 53.100 59.204 25.240 1.00 0.00 H +ATOM 194 CA ALA 14 52.360 61.010 26.130 1.00 0.00 C +ATOM 195 HA ALA 14 51.770 61.640 25.480 1.00 0.00 H +ATOM 196 CB ALA 14 51.510 60.040 26.860 1.00 0.00 C +ATOM 197 HB1 ALA 14 50.822 60.638 27.498 1.00 0.00 H +ATOM 198 HB2 ALA 14 50.988 59.348 26.168 1.00 0.00 H +ATOM 199 HB3 ALA 14 52.072 59.338 27.512 1.00 0.00 H +ATOM 200 C ALA 14 53.050 61.950 26.990 1.00 0.00 C +ATOM 201 O ALA 14 52.610 63.030 27.260 1.00 0.00 O +ATOM 202 N ALA 15 54.250 61.630 27.460 1.00 0.00 N +ATOM 203 HN ALA 15 54.620 60.712 27.340 1.00 0.00 H +ATOM 204 CA ALA 15 55.300 62.390 28.180 1.00 0.00 C +ATOM 205 HA ALA 15 54.922 63.284 28.656 1.00 0.00 H +ATOM 206 CB ALA 15 56.170 61.460 29.040 1.00 0.00 C +ATOM 207 HB1 ALA 15 55.580 60.890 29.790 1.00 0.00 H +ATOM 208 HB2 ALA 15 56.640 60.710 28.370 1.00 0.00 H +ATOM 209 HB3 ALA 15 56.932 62.110 29.520 1.00 0.00 H +ATOM 210 C ALA 15 56.300 63.010 27.120 1.00 0.00 C +ATOM 211 O ALA 15 57.190 63.760 27.450 1.00 0.00 O +ATOM 212 N GLY 16 56.190 62.650 25.790 1.00 0.00 N +ATOM 213 HN GLY 16 55.330 62.400 25.350 1.00 0.00 H +ATOM 214 CA GLY 16 57.210 63.010 24.790 1.00 0.00 C +ATOM 215 HA1 GLY 16 56.850 62.580 23.868 1.00 0.00 H +ATOM 216 HA2 GLY 16 57.310 64.082 24.860 1.00 0.00 H +ATOM 217 C GLY 16 58.640 62.450 24.940 1.00 0.00 C +ATOM 218 O GLY 16 59.660 63.040 24.610 1.00 0.00 O +ATOM 219 N ARG 17 58.750 61.240 25.510 1.00 0.00 N +ATOM 220 HN ARG 17 57.952 60.662 25.660 1.00 0.00 H +ATOM 221 CA ARG 17 60.060 60.710 25.650 1.00 0.00 C +ATOM 222 HA ARG 17 60.824 61.474 25.680 1.00 0.00 H +ATOM 223 CB ARG 17 60.100 59.860 27.010 1.00 0.00 C +ATOM 224 HB1 ARG 17 59.354 59.054 26.848 1.00 0.00 H +ATOM 225 HB2 ARG 17 61.068 59.322 27.110 1.00 0.00 H +ATOM 226 CG ARG 17 59.820 60.660 28.290 1.00 0.00 C +ATOM 227 HG1 ARG 17 60.772 61.160 28.570 1.00 0.00 H +ATOM 228 HG2 ARG 17 59.140 61.518 28.100 1.00 0.00 H +ATOM 229 CD ARG 17 59.360 59.900 29.450 1.00 0.00 C +ATOM 230 HD1 ARG 17 59.350 60.532 30.362 1.00 0.00 H +ATOM 231 HD2 ARG 17 58.318 59.562 29.262 1.00 0.00 H +ATOM 232 NE ARG 17 60.360 58.750 29.600 1.00 0.00 N +ATOM 233 HE ARG 17 60.320 57.950 29.000 1.00 0.00 H +ATOM 234 CZ ARG 17 61.390 58.680 30.420 1.00 0.00 C +ATOM 235 NH1 ARG 17 61.860 59.660 31.200 1.00 0.00 N +ATOM 236 1HH1 ARG 17 61.432 60.558 31.100 1.00 0.00 H +ATOM 237 2HH1 ARG 17 62.488 59.480 31.958 1.00 0.00 H +ATOM 238 NH2 ARG 17 61.870 57.480 30.780 1.00 0.00 N +ATOM 239 1HH2 ARG 17 61.248 56.716 30.610 1.00 0.00 H +ATOM 240 2HH2 ARG 17 62.528 57.330 31.518 1.00 0.00 H +ATOM 241 C ARG 17 60.450 59.750 24.510 1.00 0.00 C +ATOM 242 O ARG 17 59.600 59.210 23.780 1.00 0.00 O +ATOM 243 N PHE 18 61.790 59.600 24.350 1.00 0.00 N +ATOM 244 HN PHE 18 62.414 60.102 24.944 1.00 0.00 H +ATOM 245 CA PHE 18 62.360 58.470 23.650 1.00 0.00 C +ATOM 246 HA PHE 18 61.880 58.360 22.690 1.00 0.00 H +ATOM 247 CB PHE 18 63.890 58.740 23.500 1.00 0.00 C +ATOM 248 HB1 PHE 18 64.300 59.000 24.500 1.00 0.00 H +ATOM 249 HB2 PHE 18 64.370 57.820 23.100 1.00 0.00 H +ATOM 250 CG PHE 18 64.230 59.810 22.540 1.00 0.00 C +ATOM 251 CD1 PHE 18 64.570 61.100 22.970 1.00 0.00 C +ATOM 252 HD1 PHE 18 64.550 61.290 24.032 1.00 0.00 H +ATOM 253 CE1 PHE 18 65.030 62.080 22.040 1.00 0.00 C +ATOM 254 HE1 PHE 18 65.272 63.064 22.412 1.00 0.00 H +ATOM 255 CZ PHE 18 65.000 61.770 20.660 1.00 0.00 C +ATOM 256 HZ PHE 18 65.260 62.592 20.008 1.00 0.00 H +ATOM 257 CD2 PHE 18 64.100 59.530 21.160 1.00 0.00 C +ATOM 258 HD2 PHE 18 63.880 58.526 20.828 1.00 0.00 H +ATOM 259 CE2 PHE 18 64.600 60.480 20.240 1.00 0.00 C +ATOM 260 HE2 PHE 18 64.730 60.202 19.204 1.00 0.00 H +ATOM 261 C PHE 18 62.150 57.190 24.430 1.00 0.00 C +ATOM 262 O PHE 18 61.970 57.240 25.680 1.00 0.00 O +ATOM 263 N PRO 19 62.230 55.960 23.790 1.00 0.00 N +ATOM 264 CD PRO 19 62.270 55.730 22.430 1.00 0.00 C +ATOM 265 HD1 PRO 19 63.320 55.940 22.130 1.00 0.00 H +ATOM 266 HD2 PRO 19 61.460 56.350 21.990 1.00 0.00 H +ATOM 267 CA PRO 19 62.370 54.690 24.540 1.00 0.00 C +ATOM 268 HA PRO 19 61.408 54.680 25.030 1.00 0.00 H +ATOM 269 CB PRO 19 62.590 53.650 23.420 1.00 0.00 C +ATOM 270 HB1 PRO 19 63.660 53.540 23.140 1.00 0.00 H +ATOM 271 HB2 PRO 19 62.192 52.634 23.630 1.00 0.00 H +ATOM 272 CG PRO 19 61.920 54.260 22.190 1.00 0.00 C +ATOM 273 HG1 PRO 19 62.252 53.928 21.184 1.00 0.00 H +ATOM 274 HG2 PRO 19 60.814 54.170 22.240 1.00 0.00 H +ATOM 275 C PRO 19 63.460 54.560 25.540 1.00 0.00 C +ATOM 276 O PRO 19 64.640 54.940 25.420 1.00 0.00 O +ATOM 277 N SER 20 63.010 54.190 26.750 1.00 0.00 N +ATOM 278 HN SER 20 62.100 53.790 26.830 1.00 0.00 H +ATOM 279 CA SER 20 63.850 54.100 27.960 1.00 0.00 C +ATOM 280 HA SER 20 64.680 54.750 27.730 1.00 0.00 H +ATOM 281 CB SER 20 63.050 54.720 29.120 1.00 0.00 C +ATOM 282 HB1 SER 20 63.680 54.830 30.028 1.00 0.00 H +ATOM 283 HB2 SER 20 62.682 55.764 29.010 1.00 0.00 H +ATOM 284 OG SER 20 61.910 53.890 29.380 1.00 0.00 O +ATOM 285 HG1 SER 20 61.342 53.990 28.612 1.00 0.00 H +ATOM 286 C SER 20 64.270 52.660 28.340 1.00 0.00 C +ATOM 287 O SER 20 63.930 51.760 27.600 1.00 0.00 O +ATOM 288 N SER 21 65.040 52.430 29.410 1.00 0.00 N +ATOM 289 HN SER 21 65.270 53.150 30.060 1.00 0.00 H +ATOM 290 CA SER 21 65.480 51.090 29.870 1.00 0.00 C +ATOM 291 HA SER 21 65.818 50.652 28.942 1.00 0.00 H +ATOM 292 CB SER 21 66.640 51.050 30.830 1.00 0.00 C +ATOM 293 HB1 SER 21 66.790 50.000 31.160 1.00 0.00 H +ATOM 294 HB2 SER 21 67.546 51.322 30.246 1.00 0.00 H +ATOM 295 OG SER 21 66.390 51.800 32.080 1.00 0.00 O +ATOM 296 HG1 SER 21 67.312 52.040 32.200 1.00 0.00 H +ATOM 297 C SER 21 64.270 50.280 30.310 1.00 0.00 C +ATOM 298 O SER 21 64.320 49.070 30.130 1.00 0.00 O +ATOM 299 N SER 22 63.230 51.010 30.900 1.00 0.00 N +ATOM 300 HN SER 22 63.170 52.004 30.950 1.00 0.00 H +ATOM 301 CA SER 22 62.000 50.360 31.220 1.00 0.00 C +ATOM 302 HA SER 22 62.208 49.356 31.558 1.00 0.00 H +ATOM 303 CB SER 22 61.220 51.090 32.360 1.00 0.00 C +ATOM 304 HB1 SER 22 60.276 50.518 32.480 1.00 0.00 H +ATOM 305 HB2 SER 22 61.798 51.070 33.308 1.00 0.00 H +ATOM 306 OG SER 22 60.920 52.470 31.960 1.00 0.00 O +ATOM 307 HG1 SER 22 60.084 52.460 31.488 1.00 0.00 H +ATOM 308 C SER 22 61.060 49.950 30.060 1.00 0.00 C +ATOM 309 O SER 22 60.480 48.850 29.970 1.00 0.00 O +ATOM 310 N ASP 23 61.070 50.790 29.070 1.00 0.00 N +ATOM 311 HN ASP 23 61.632 51.602 29.200 1.00 0.00 H +ATOM 312 CA ASP 23 60.410 50.440 27.790 1.00 0.00 C +ATOM 313 HA ASP 23 59.380 50.210 28.020 1.00 0.00 H +ATOM 314 CB ASP 23 60.540 51.660 26.830 1.00 0.00 C +ATOM 315 HB1 ASP 23 61.612 51.860 26.620 1.00 0.00 H +ATOM 316 HB2 ASP 23 59.990 51.360 25.912 1.00 0.00 H +ATOM 317 CG ASP 23 59.770 52.820 27.400 1.00 0.00 C +ATOM 318 OD1 ASP 23 58.720 52.520 28.080 1.00 0.00 O +ATOM 319 OD2 ASP 23 60.200 53.960 27.290 1.00 0.00 O +ATOM 320 C ASP 23 60.880 49.200 27.110 1.00 0.00 C +ATOM 321 O ASP 23 60.060 48.380 26.690 1.00 0.00 O +ATOM 322 N LEU 24 62.190 49.060 26.970 1.00 0.00 N +ATOM 323 HN LEU 24 62.826 49.784 27.228 1.00 0.00 H +ATOM 324 CA LEU 24 62.940 47.970 26.360 1.00 0.00 C +ATOM 325 HA LEU 24 62.458 47.770 25.416 1.00 0.00 H +ATOM 326 CB LEU 24 64.440 48.340 26.080 1.00 0.00 C +ATOM 327 HB1 LEU 24 64.892 48.630 27.052 1.00 0.00 H +ATOM 328 HB2 LEU 24 64.992 47.436 25.748 1.00 0.00 H +ATOM 329 CG LEU 24 64.740 49.500 25.090 1.00 0.00 C +ATOM 330 HG LEU 24 64.228 50.432 25.410 1.00 0.00 H +ATOM 331 CD1 LEU 24 66.220 49.890 25.070 1.00 0.00 C +ATOM 332 1HD1 LEU 24 66.620 50.190 26.062 1.00 0.00 H +ATOM 333 2HD1 LEU 24 66.750 48.978 24.720 1.00 0.00 H +ATOM 334 3HD1 LEU 24 66.360 50.776 24.416 1.00 0.00 H +ATOM 335 CD2 LEU 24 64.300 49.120 23.680 1.00 0.00 C +ATOM 336 1HD2 LEU 24 64.200 50.014 23.028 1.00 0.00 H +ATOM 337 2HD2 LEU 24 65.050 48.540 23.100 1.00 0.00 H +ATOM 338 3HD2 LEU 24 63.334 48.572 23.690 1.00 0.00 H +ATOM 339 C LEU 24 62.880 46.730 27.260 1.00 0.00 C +ATOM 340 O LEU 24 62.750 45.620 26.720 1.00 0.00 O +ATOM 341 N GLU 25 62.960 46.830 28.590 1.00 0.00 N +ATOM 342 HN GLU 25 63.060 47.772 28.900 1.00 0.00 H +ATOM 343 CA GLU 25 62.840 45.780 29.540 1.00 0.00 C +ATOM 344 HA GLU 25 63.588 45.022 29.360 1.00 0.00 H +ATOM 345 CB GLU 25 63.200 46.160 30.990 1.00 0.00 C +ATOM 346 HB1 GLU 25 64.242 46.546 30.940 1.00 0.00 H +ATOM 347 HB2 GLU 25 62.598 47.062 31.230 1.00 0.00 H +ATOM 348 CG GLU 25 62.910 45.090 32.040 1.00 0.00 C +ATOM 349 HG1 GLU 25 61.802 45.140 32.090 1.00 0.00 H +ATOM 350 HG2 GLU 25 63.162 44.054 31.728 1.00 0.00 H +ATOM 351 CD GLU 25 63.500 45.350 33.450 1.00 0.00 C +ATOM 352 OE1 GLU 25 63.110 46.440 33.980 1.00 0.00 O +ATOM 353 OE2 GLU 25 64.290 44.540 34.040 1.00 0.00 O +ATOM 354 C GLU 25 61.460 45.100 29.500 1.00 0.00 C +ATOM 355 O GLU 25 61.350 43.900 29.700 1.00 0.00 O +ATOM 356 N SER 26 60.370 45.840 29.320 1.00 0.00 N +ATOM 357 HN SER 26 60.400 46.836 29.280 1.00 0.00 H +ATOM 358 CA SER 26 59.000 45.360 29.110 1.00 0.00 C +ATOM 359 HA SER 26 58.830 44.684 29.936 1.00 0.00 H +ATOM 360 CB SER 26 57.850 46.420 29.300 1.00 0.00 C +ATOM 361 HB1 SER 26 56.912 45.850 29.470 1.00 0.00 H +ATOM 362 HB2 SER 26 58.000 46.892 30.294 1.00 0.00 H +ATOM 363 OG SER 26 57.740 47.310 28.190 1.00 0.00 O +ATOM 364 HG1 SER 26 58.562 47.802 28.130 1.00 0.00 H +ATOM 365 C SER 26 58.800 44.540 27.910 1.00 0.00 C +ATOM 366 O SER 26 58.230 43.440 27.960 1.00 0.00 O +ATOM 367 N ILE 27 59.420 45.010 26.840 1.00 0.00 N +ATOM 368 HN ILE 27 59.812 45.924 26.900 1.00 0.00 H +ATOM 369 CA ILE 27 59.530 44.310 25.560 1.00 0.00 C +ATOM 370 HA ILE 27 58.526 43.958 25.380 1.00 0.00 H +ATOM 371 CB ILE 27 59.900 45.200 24.330 1.00 0.00 C +ATOM 372 HB ILE 27 60.748 45.790 24.740 1.00 0.00 H +ATOM 373 CG2 ILE 27 60.250 44.380 23.070 1.00 0.00 C +ATOM 374 1HG2 ILE 27 61.304 44.038 22.990 1.00 0.00 H +ATOM 375 2HG2 ILE 27 59.582 43.492 23.020 1.00 0.00 H +ATOM 376 3HG2 ILE 27 60.220 44.990 22.142 1.00 0.00 H +ATOM 377 CG1 ILE 27 58.720 46.170 24.100 1.00 0.00 C +ATOM 378 1HG1 ILE 27 58.008 45.458 23.630 1.00 0.00 H +ATOM 379 2HG1 ILE 27 58.382 46.438 25.124 1.00 0.00 H +ATOM 380 CD ILE 27 59.110 47.410 23.300 1.00 0.00 C +ATOM 381 HD1 ILE 27 58.220 48.030 23.060 1.00 0.00 H +ATOM 382 HD2 ILE 27 59.824 48.074 23.832 1.00 0.00 H +ATOM 383 HD3 ILE 27 59.670 47.180 22.368 1.00 0.00 H +ATOM 384 C ILE 27 60.400 43.060 25.710 1.00 0.00 C +ATOM 385 O ILE 27 60.130 42.010 25.050 1.00 0.00 O +ATOM 386 N GLN 28 61.450 43.010 26.630 1.00 0.00 N +ATOM 387 HN GLN 28 61.730 43.882 27.022 1.00 0.00 H +ATOM 388 CA GLN 28 62.300 41.810 26.830 1.00 0.00 C +ATOM 389 HA GLN 28 62.720 41.580 25.862 1.00 0.00 H +ATOM 390 CB GLN 28 63.650 42.110 27.530 1.00 0.00 C +ATOM 391 HB1 GLN 28 64.202 42.892 26.968 1.00 0.00 H +ATOM 392 HB2 GLN 28 63.430 42.668 28.466 1.00 0.00 H +ATOM 393 CG GLN 28 64.670 40.980 27.760 1.00 0.00 C +ATOM 394 HG1 GLN 28 65.700 41.360 27.930 1.00 0.00 H +ATOM 395 HG2 GLN 28 64.400 40.498 28.724 1.00 0.00 H +ATOM 396 CD GLN 28 64.910 39.990 26.610 1.00 0.00 C +ATOM 397 OE1 GLN 28 64.790 38.780 26.800 1.00 0.00 O +ATOM 398 NE2 GLN 28 65.490 40.530 25.490 1.00 0.00 N +ATOM 399 1HE2 GLN 28 65.670 41.512 25.420 1.00 0.00 H +ATOM 400 2HE2 GLN 28 65.810 39.890 24.790 1.00 0.00 H +ATOM 401 C GLN 28 61.520 40.600 27.420 1.00 0.00 C +ATOM 402 O GLN 28 61.720 39.450 27.150 1.00 0.00 O +ATOM 403 N GLY 29 60.570 40.960 28.270 1.00 0.00 N +ATOM 404 HN GLY 29 60.730 41.862 28.662 1.00 0.00 H +ATOM 405 CA GLY 29 59.440 40.190 28.830 1.00 0.00 C +ATOM 406 HA1 GLY 29 59.788 39.334 29.388 1.00 0.00 H +ATOM 407 HA2 GLY 29 58.808 40.852 29.402 1.00 0.00 H +ATOM 408 C GLY 29 58.490 39.670 27.720 1.00 0.00 C +ATOM 409 O GLY 29 58.110 38.510 27.730 1.00 0.00 O +ATOM 410 N ASN 30 58.230 40.530 26.680 1.00 0.00 N +ATOM 411 HN ASN 30 58.570 41.468 26.700 1.00 0.00 H +ATOM 412 CA ASN 30 57.450 40.160 25.450 1.00 0.00 C +ATOM 413 HA ASN 30 56.484 39.772 25.738 1.00 0.00 H +ATOM 414 CB ASN 30 57.320 41.330 24.460 1.00 0.00 C +ATOM 415 HB1 ASN 30 57.380 42.334 24.932 1.00 0.00 H +ATOM 416 HB2 ASN 30 58.182 41.350 23.758 1.00 0.00 H +ATOM 417 CG ASN 30 56.030 41.150 23.640 1.00 0.00 C +ATOM 418 OD1 ASN 30 54.940 40.860 24.160 1.00 0.00 O +ATOM 419 ND2 ASN 30 56.050 41.300 22.330 1.00 0.00 N +ATOM 420 1HD2 ASN 30 56.958 41.310 21.910 1.00 0.00 H +ATOM 421 2HD2 ASN 30 55.238 41.110 21.778 1.00 0.00 H +ATOM 422 C ASN 30 58.130 39.020 24.730 1.00 0.00 C +ATOM 423 O ASN 30 57.600 37.920 24.530 1.00 0.00 O +ATOM 424 N ILE 31 59.450 39.220 24.520 1.00 0.00 N +ATOM 425 HN ILE 31 59.830 40.132 24.650 1.00 0.00 H +ATOM 426 CA ILE 31 60.350 38.260 23.920 1.00 0.00 C +ATOM 427 HA ILE 31 59.960 38.070 22.930 1.00 0.00 H +ATOM 428 CB ILE 31 61.810 38.870 23.860 1.00 0.00 C +ATOM 429 HB ILE 31 62.072 39.412 24.794 1.00 0.00 H +ATOM 430 CG2 ILE 31 62.870 37.770 23.610 1.00 0.00 C +ATOM 431 1HG2 ILE 31 63.878 38.200 23.430 1.00 0.00 H +ATOM 432 2HG2 ILE 31 62.960 37.132 24.516 1.00 0.00 H +ATOM 433 3HG2 ILE 31 62.578 37.086 22.786 1.00 0.00 H +ATOM 434 CG1 ILE 31 61.850 39.900 22.740 1.00 0.00 C +ATOM 435 1HG1 ILE 31 61.830 39.260 21.832 1.00 0.00 H +ATOM 436 2HG1 ILE 31 61.100 40.700 22.920 1.00 0.00 H +ATOM 437 CD ILE 31 63.190 40.660 22.760 1.00 0.00 C +ATOM 438 HD1 ILE 31 63.984 39.906 22.570 1.00 0.00 H +ATOM 439 HD2 ILE 31 63.180 41.516 22.052 1.00 0.00 H +ATOM 440 HD3 ILE 31 63.488 40.978 23.782 1.00 0.00 H +ATOM 441 C ILE 31 60.420 36.860 24.580 1.00 0.00 C +ATOM 442 O ILE 31 60.200 35.880 23.840 1.00 0.00 O +ATOM 443 N GLN 32 60.610 36.890 25.920 1.00 0.00 N +ATOM 444 HN GLN 32 60.720 37.762 26.390 1.00 0.00 H +ATOM 445 CA GLN 32 60.450 35.710 26.820 1.00 0.00 C +ATOM 446 HA GLN 32 61.180 34.990 26.480 1.00 0.00 H +ATOM 447 CB GLN 32 60.770 36.150 28.310 1.00 0.00 C +ATOM 448 HB1 GLN 32 60.262 37.114 28.528 1.00 0.00 H +ATOM 449 HB2 GLN 32 60.382 35.492 29.118 1.00 0.00 H +ATOM 450 CG GLN 32 62.210 36.500 28.540 1.00 0.00 C +ATOM 451 HG1 GLN 32 62.410 37.442 27.988 1.00 0.00 H +ATOM 452 HG2 GLN 32 62.480 36.530 29.618 1.00 0.00 H +ATOM 453 CD GLN 32 63.260 35.530 27.890 1.00 0.00 C +ATOM 454 OE1 GLN 32 63.240 34.390 28.240 1.00 0.00 O +ATOM 455 NE2 GLN 32 64.160 36.060 26.970 1.00 0.00 N +ATOM 456 1HE2 GLN 32 64.280 37.030 26.760 1.00 0.00 H +ATOM 457 2HE2 GLN 32 64.884 35.486 26.588 1.00 0.00 H +ATOM 458 C GLN 32 59.110 35.050 26.720 1.00 0.00 C +ATOM 459 O GLN 32 59.000 33.820 26.650 1.00 0.00 O +ATOM 460 N ARG 33 58.020 35.780 26.690 1.00 0.00 N +ATOM 461 HN ARG 33 58.090 36.774 26.680 1.00 0.00 H +ATOM 462 CA ARG 33 56.750 35.180 26.930 1.00 0.00 C +ATOM 463 HA ARG 33 56.910 34.252 27.458 1.00 0.00 H +ATOM 464 CB ARG 33 55.930 36.110 27.840 1.00 0.00 C +ATOM 465 HB1 ARG 33 56.612 36.440 28.652 1.00 0.00 H +ATOM 466 HB2 ARG 33 55.690 37.040 27.280 1.00 0.00 H +ATOM 467 CG ARG 33 54.610 35.620 28.400 1.00 0.00 C +ATOM 468 HG1 ARG 33 54.228 36.332 29.162 1.00 0.00 H +ATOM 469 HG2 ARG 33 53.830 35.500 27.620 1.00 0.00 H +ATOM 470 CD ARG 33 54.690 34.220 29.130 1.00 0.00 C +ATOM 471 HD1 ARG 33 54.992 33.406 28.436 1.00 0.00 H +ATOM 472 HD2 ARG 33 55.390 34.420 29.970 1.00 0.00 H +ATOM 473 NE ARG 33 53.400 33.880 29.710 1.00 0.00 N +ATOM 474 HE ARG 33 52.590 34.460 29.610 1.00 0.00 H +ATOM 475 CZ ARG 33 53.270 32.900 30.580 1.00 0.00 C +ATOM 476 NH1 ARG 33 54.210 32.120 31.100 1.00 0.00 N +ATOM 477 1HH1 ARG 33 55.166 32.240 30.832 1.00 0.00 H +ATOM 478 2HH1 ARG 33 53.868 31.416 31.722 1.00 0.00 H +ATOM 479 NH2 ARG 33 52.060 32.760 31.090 1.00 0.00 N +ATOM 480 1HH2 ARG 33 51.378 33.352 30.660 1.00 0.00 H +ATOM 481 2HH2 ARG 33 52.030 32.450 32.040 1.00 0.00 H +ATOM 482 C ARG 33 55.950 34.810 25.670 1.00 0.00 C +ATOM 483 O ARG 33 54.940 34.100 25.820 1.00 0.00 O +ATOM 484 N ALA 34 56.440 35.200 24.480 1.00 0.00 N +ATOM 485 HN ALA 34 57.188 35.858 24.500 1.00 0.00 H +ATOM 486 CA ALA 34 55.890 34.980 23.160 1.00 0.00 C +ATOM 487 HA ALA 34 54.926 35.468 23.140 1.00 0.00 H +ATOM 488 CB ALA 34 56.760 35.570 21.950 1.00 0.00 C +ATOM 489 HB1 ALA 34 57.530 34.800 21.730 1.00 0.00 H +ATOM 490 HB2 ALA 34 56.122 35.630 21.042 1.00 0.00 H +ATOM 491 HB3 ALA 34 57.112 36.586 22.232 1.00 0.00 H +ATOM 492 C ALA 34 55.640 33.450 22.890 1.00 0.00 C +ATOM 493 O ALA 34 54.530 33.120 22.540 1.00 0.00 O +ATOM 494 N ALA 35 56.630 32.530 23.010 1.00 0.00 N +ATOM 495 HN ALA 35 57.566 32.788 23.238 1.00 0.00 H +ATOM 496 CA ALA 35 56.560 31.160 22.580 1.00 0.00 C +ATOM 497 HA ALA 35 56.330 31.240 21.528 1.00 0.00 H +ATOM 498 CB ALA 35 57.990 30.550 22.720 1.00 0.00 C +ATOM 499 HB1 ALA 35 58.350 30.540 23.770 1.00 0.00 H +ATOM 500 HB2 ALA 35 58.080 29.468 22.482 1.00 0.00 H +ATOM 501 HB3 ALA 35 58.692 31.112 22.068 1.00 0.00 H +ATOM 502 C ALA 35 55.420 30.380 23.190 1.00 0.00 C +ATOM 503 O ALA 35 54.840 29.550 22.550 1.00 0.00 O +ATOM 504 N ALA 36 55.140 30.620 24.520 1.00 0.00 N +ATOM 505 HN ALA 36 55.828 31.078 25.078 1.00 0.00 H +ATOM 506 CA ALA 36 53.990 30.140 25.300 1.00 0.00 C +ATOM 507 HA ALA 36 54.100 29.066 25.310 1.00 0.00 H +ATOM 508 CB ALA 36 53.960 30.640 26.760 1.00 0.00 C +ATOM 509 HB1 ALA 36 55.004 30.450 27.088 1.00 0.00 H +ATOM 510 HB2 ALA 36 53.750 31.730 26.820 1.00 0.00 H +ATOM 511 HB3 ALA 36 53.200 30.020 27.280 1.00 0.00 H +ATOM 512 C ALA 36 52.660 30.370 24.650 1.00 0.00 C +ATOM 513 O ALA 36 51.910 29.490 24.280 1.00 0.00 O +ATOM 514 N ARG 37 52.300 31.650 24.540 1.00 0.00 N +ATOM 515 HN ARG 37 52.950 32.352 24.820 1.00 0.00 H +ATOM 516 CA ARG 37 51.090 32.110 23.860 1.00 0.00 C +ATOM 517 HA ARG 37 50.260 31.580 24.300 1.00 0.00 H +ATOM 518 CB ARG 37 50.760 33.610 24.050 1.00 0.00 C +ATOM 519 HB1 ARG 37 49.988 33.972 23.338 1.00 0.00 H +ATOM 520 HB2 ARG 37 50.212 33.740 25.008 1.00 0.00 H +ATOM 521 CG ARG 37 51.980 34.570 23.860 1.00 0.00 C +ATOM 522 HG1 ARG 37 52.872 34.128 24.352 1.00 0.00 H +ATOM 523 HG2 ARG 37 52.170 34.500 22.768 1.00 0.00 H +ATOM 524 CD ARG 37 51.660 36.020 24.300 1.00 0.00 C +ATOM 525 HD1 ARG 37 50.742 36.370 23.780 1.00 0.00 H +ATOM 526 HD2 ARG 37 51.370 35.980 25.372 1.00 0.00 H +ATOM 527 NE ARG 37 52.690 36.970 24.030 1.00 0.00 N +ATOM 528 HE ARG 37 53.090 37.550 24.740 1.00 0.00 H +ATOM 529 CZ ARG 37 53.150 37.380 22.810 1.00 0.00 C +ATOM 530 NH1 ARG 37 52.720 36.830 21.660 1.00 0.00 N +ATOM 531 1HH1 ARG 37 51.914 36.242 21.580 1.00 0.00 H +ATOM 532 2HH1 ARG 37 53.042 37.232 20.804 1.00 0.00 H +ATOM 533 NH2 ARG 37 54.150 38.210 22.770 1.00 0.00 N +ATOM 534 1HH2 ARG 37 54.538 38.618 23.596 1.00 0.00 H +ATOM 535 2HH2 ARG 37 54.300 38.600 21.862 1.00 0.00 H +ATOM 536 C ARG 37 51.050 31.760 22.400 1.00 0.00 C +ATOM 537 O ARG 37 50.040 31.510 21.800 1.00 0.00 O +ATOM 538 N LEU 38 52.210 31.640 21.740 1.00 0.00 N +ATOM 539 HN LEU 38 53.074 31.760 22.222 1.00 0.00 H +ATOM 540 CA LEU 38 52.290 31.250 20.360 1.00 0.00 C +ATOM 541 HA LEU 38 51.402 31.710 19.950 1.00 0.00 H +ATOM 542 CB LEU 38 53.470 31.810 19.550 1.00 0.00 C +ATOM 543 HB1 LEU 38 54.448 31.400 19.880 1.00 0.00 H +ATOM 544 HB2 LEU 38 53.430 31.620 18.456 1.00 0.00 H +ATOM 545 CG LEU 38 53.600 33.340 19.460 1.00 0.00 C +ATOM 546 HG LEU 38 53.340 33.790 20.442 1.00 0.00 H +ATOM 547 CD1 LEU 38 55.040 33.730 19.040 1.00 0.00 C +ATOM 548 1HD1 LEU 38 55.670 33.420 19.900 1.00 0.00 H +ATOM 549 2HD1 LEU 38 55.530 33.280 18.150 1.00 0.00 H +ATOM 550 3HD1 LEU 38 55.060 34.840 19.010 1.00 0.00 H +ATOM 551 CD2 LEU 38 52.600 33.890 18.410 1.00 0.00 C +ATOM 552 1HD2 LEU 38 52.720 33.460 17.392 1.00 0.00 H +ATOM 553 2HD2 LEU 38 51.582 33.560 18.710 1.00 0.00 H +ATOM 554 3HD2 LEU 38 52.660 34.998 18.380 1.00 0.00 H +ATOM 555 C LEU 38 52.020 29.790 20.080 1.00 0.00 C +ATOM 556 O LEU 38 51.560 29.510 19.000 1.00 0.00 O +ATOM 557 N GLU 39 52.250 28.900 21.050 1.00 0.00 N +ATOM 558 HN GLU 39 52.838 29.170 21.808 1.00 0.00 H +ATOM 559 CA GLU 39 51.740 27.540 20.970 1.00 0.00 C +ATOM 560 HA GLU 39 52.040 27.100 20.030 1.00 0.00 H +ATOM 561 CB GLU 39 52.360 26.520 22.090 1.00 0.00 C +ATOM 562 HB1 GLU 39 53.418 26.300 21.830 1.00 0.00 H +ATOM 563 HB2 GLU 39 52.340 27.072 23.054 1.00 0.00 H +ATOM 564 CG GLU 39 51.480 25.250 22.280 1.00 0.00 C +ATOM 565 HG1 GLU 39 50.632 25.510 22.948 1.00 0.00 H +ATOM 566 HG2 GLU 39 51.130 24.720 21.370 1.00 0.00 H +ATOM 567 CD GLU 39 52.140 24.090 23.060 1.00 0.00 C +ATOM 568 OE1 GLU 39 52.720 24.330 24.150 1.00 0.00 O +ATOM 569 OE2 GLU 39 52.040 22.910 22.530 1.00 0.00 O +ATOM 570 C GLU 39 50.230 27.490 21.110 1.00 0.00 C +ATOM 571 O GLU 39 49.550 26.780 20.360 1.00 0.00 O +ATOM 572 N ALA 40 49.690 28.280 22.010 1.00 0.00 N +ATOM 573 HN ALA 40 50.252 28.852 22.602 1.00 0.00 H +ATOM 574 CA ALA 40 48.250 28.350 22.210 1.00 0.00 C +ATOM 575 HA ALA 40 47.862 27.354 22.360 1.00 0.00 H +ATOM 576 CB ALA 40 47.810 29.290 23.350 1.00 0.00 C +ATOM 577 HB1 ALA 40 46.716 29.190 23.520 1.00 0.00 H +ATOM 578 HB2 ALA 40 48.210 29.090 24.368 1.00 0.00 H +ATOM 579 HB3 ALA 40 47.940 30.372 23.140 1.00 0.00 H +ATOM 580 C ALA 40 47.560 28.850 20.950 1.00 0.00 C +ATOM 581 O ALA 40 46.560 28.280 20.480 1.00 0.00 O +ATOM 582 N ALA 41 48.120 29.910 20.400 1.00 0.00 N +ATOM 583 HN ALA 41 48.922 30.412 20.712 1.00 0.00 H +ATOM 584 CA ALA 41 47.640 30.370 19.080 1.00 0.00 C +ATOM 585 HA ALA 41 46.578 30.518 19.210 1.00 0.00 H +ATOM 586 CB ALA 41 48.330 31.700 18.700 1.00 0.00 C +ATOM 587 HB1 ALA 41 48.080 31.960 17.650 1.00 0.00 H +ATOM 588 HB2 ALA 41 47.912 32.586 19.228 1.00 0.00 H +ATOM 589 HB3 ALA 41 49.440 31.730 18.670 1.00 0.00 H +ATOM 590 C ALA 41 47.790 29.400 17.920 1.00 0.00 C +ATOM 591 O ALA 41 46.830 29.170 17.230 1.00 0.00 O +ATOM 592 N GLN 42 48.920 28.660 17.830 1.00 0.00 N +ATOM 593 HN GLN 42 49.726 28.958 18.338 1.00 0.00 H +ATOM 594 CA GLN 42 49.070 27.620 16.830 1.00 0.00 C +ATOM 595 HA GLN 42 49.040 28.108 15.866 1.00 0.00 H +ATOM 596 CB GLN 42 50.460 27.030 16.960 1.00 0.00 C +ATOM 597 HB1 GLN 42 51.120 27.920 16.880 1.00 0.00 H +ATOM 598 HB2 GLN 42 50.762 26.618 17.946 1.00 0.00 H +ATOM 599 CG GLN 42 50.810 26.020 15.800 1.00 0.00 C +ATOM 600 HG1 GLN 42 51.720 25.460 16.100 1.00 0.00 H +ATOM 601 HG2 GLN 42 50.032 25.232 15.710 1.00 0.00 H +ATOM 602 CD GLN 42 50.990 26.750 14.500 1.00 0.00 C +ATOM 603 OE1 GLN 42 49.970 26.850 13.710 1.00 0.00 O +ATOM 604 NE2 GLN 42 52.210 27.310 14.210 1.00 0.00 N +ATOM 605 1HE2 GLN 42 52.972 27.028 14.792 1.00 0.00 H +ATOM 606 2HE2 GLN 42 52.340 28.002 13.498 1.00 0.00 H +ATOM 607 C GLN 42 48.110 26.440 16.910 1.00 0.00 C +ATOM 608 O GLN 42 47.530 26.020 15.910 1.00 0.00 O +ATOM 609 N LYS 43 47.980 25.870 18.090 1.00 0.00 N +ATOM 610 HN LYS 43 48.432 26.180 18.922 1.00 0.00 H +ATOM 611 CA LYS 43 47.020 24.860 18.360 1.00 0.00 C +ATOM 612 HA LYS 43 47.080 24.050 17.650 1.00 0.00 H +ATOM 613 CB LYS 43 47.140 24.410 19.830 1.00 0.00 C +ATOM 614 HB1 LYS 43 47.100 25.338 20.440 1.00 0.00 H +ATOM 615 HB2 LYS 43 46.360 23.690 20.160 1.00 0.00 H +ATOM 616 CG LYS 43 48.530 23.820 20.150 1.00 0.00 C +ATOM 617 HG1 LYS 43 49.376 24.526 20.008 1.00 0.00 H +ATOM 618 HG2 LYS 43 48.640 23.628 21.238 1.00 0.00 H +ATOM 619 CD LYS 43 48.850 22.500 19.420 1.00 0.00 C +ATOM 620 HD1 LYS 43 48.030 21.750 19.450 1.00 0.00 H +ATOM 621 HD2 LYS 43 48.950 22.780 18.350 1.00 0.00 H +ATOM 622 CE LYS 43 50.130 21.780 19.870 1.00 0.00 C +ATOM 623 HE1 LYS 43 50.180 20.814 19.322 1.00 0.00 H +ATOM 624 HE2 LYS 43 51.056 22.374 19.720 1.00 0.00 H +ATOM 625 NZ LYS 43 50.160 21.420 21.270 1.00 0.00 N +ATOM 626 HZ1 LYS 43 49.180 21.480 21.610 1.00 0.00 H +ATOM 627 HZ2 LYS 43 50.390 20.410 21.360 1.00 0.00 H +ATOM 628 HZ3 LYS 43 50.812 21.972 21.862 1.00 0.00 H +ATOM 629 C LYS 43 45.510 25.340 18.120 1.00 0.00 C +ATOM 630 O LYS 43 44.690 24.650 17.460 1.00 0.00 O +ATOM 631 N LEU 44 45.100 26.550 18.580 1.00 0.00 N +ATOM 632 HN LEU 44 45.756 27.124 19.064 1.00 0.00 H +ATOM 633 CA LEU 44 43.750 27.060 18.430 1.00 0.00 C +ATOM 634 HA LEU 44 42.988 26.318 18.620 1.00 0.00 H +ATOM 635 CB LEU 44 43.330 28.260 19.360 1.00 0.00 C +ATOM 636 HB1 LEU 44 43.190 27.850 20.382 1.00 0.00 H +ATOM 637 HB2 LEU 44 44.090 29.070 19.360 1.00 0.00 H +ATOM 638 CG LEU 44 41.920 28.840 19.280 1.00 0.00 C +ATOM 639 HG LEU 44 41.750 29.498 18.402 1.00 0.00 H +ATOM 640 CD1 LEU 44 40.820 27.790 19.270 1.00 0.00 C +ATOM 641 1HD1 LEU 44 40.890 27.016 18.476 1.00 0.00 H +ATOM 642 2HD1 LEU 44 40.960 27.262 20.238 1.00 0.00 H +ATOM 643 3HD1 LEU 44 39.820 28.250 19.120 1.00 0.00 H +ATOM 644 CD2 LEU 44 41.640 29.780 20.480 1.00 0.00 C +ATOM 645 1HD2 LEU 44 42.378 30.608 20.420 1.00 0.00 H +ATOM 646 2HD2 LEU 44 40.624 30.228 20.460 1.00 0.00 H +ATOM 647 3HD2 LEU 44 41.750 29.238 21.444 1.00 0.00 H +ATOM 648 C LEU 44 43.450 27.430 16.960 1.00 0.00 C +ATOM 649 O LEU 44 42.410 27.030 16.510 1.00 0.00 O +ATOM 650 N SER 45 44.390 28.080 16.220 1.00 0.00 N +ATOM 651 HN SER 45 45.200 28.420 16.690 1.00 0.00 H +ATOM 652 CA SER 45 44.230 28.280 14.780 1.00 0.00 C +ATOM 653 HA SER 45 43.250 28.680 14.560 1.00 0.00 H +ATOM 654 CB SER 45 45.300 29.250 14.190 1.00 0.00 C +ATOM 655 HB1 SER 45 45.220 29.260 13.082 1.00 0.00 H +ATOM 656 HB2 SER 45 45.038 30.266 14.552 1.00 0.00 H +ATOM 657 OG SER 45 46.570 28.900 14.590 1.00 0.00 O +ATOM 658 HG1 SER 45 46.760 29.140 15.500 1.00 0.00 H +ATOM 659 C SER 45 44.330 26.970 14.060 1.00 0.00 C +ATOM 660 O SER 45 43.900 26.850 12.940 1.00 0.00 O +ATOM 661 N GLY 46 44.760 25.810 14.650 1.00 0.00 N +ATOM 662 HN GLY 46 45.070 25.850 15.598 1.00 0.00 H +ATOM 663 CA GLY 46 44.890 24.550 13.960 1.00 0.00 C +ATOM 664 HA1 GLY 46 44.960 24.750 12.900 1.00 0.00 H +ATOM 665 HA2 GLY 46 45.732 24.038 14.402 1.00 0.00 H +ATOM 666 C GLY 46 43.700 23.630 14.200 1.00 0.00 C +ATOM 667 O GLY 46 43.390 22.730 13.410 1.00 0.00 O +ATOM 668 N ASN 47 42.980 23.840 15.370 1.00 0.00 N +ATOM 669 HN ASN 47 43.210 24.596 15.978 1.00 0.00 H +ATOM 670 CA ASN 47 41.970 22.930 15.820 1.00 0.00 C +ATOM 671 HA ASN 47 41.640 22.260 15.040 1.00 0.00 H +ATOM 672 CB ASN 47 42.430 22.170 17.040 1.00 0.00 C +ATOM 673 HB1 ASN 47 43.362 21.598 16.850 1.00 0.00 H +ATOM 674 HB2 ASN 47 42.520 22.770 17.970 1.00 0.00 H +ATOM 675 CG ASN 47 41.520 20.980 17.380 1.00 0.00 C +ATOM 676 OD1 ASN 47 40.940 20.310 16.510 1.00 0.00 O +ATOM 677 ND2 ASN 47 41.350 20.720 18.740 1.00 0.00 N +ATOM 678 1HD2 ASN 47 41.748 21.398 19.358 1.00 0.00 H +ATOM 679 2HD2 ASN 47 40.880 19.898 19.060 1.00 0.00 H +ATOM 680 C ASN 47 40.670 23.730 16.160 1.00 0.00 C +ATOM 681 O ASN 47 39.760 23.210 16.870 1.00 0.00 O +ATOM 682 N HIS 48 40.470 24.900 15.560 1.00 0.00 N +ATOM 683 HN HIS 48 41.212 25.202 14.968 1.00 0.00 H +ATOM 684 CA HIS 48 39.410 25.890 15.790 1.00 0.00 C +ATOM 685 HA HIS 48 39.680 26.060 16.822 1.00 0.00 H +ATOM 686 CB HIS 48 39.570 27.280 15.040 1.00 0.00 C +ATOM 687 HB1 HIS 48 38.868 28.012 15.492 1.00 0.00 H +ATOM 688 HB2 HIS 48 40.568 27.708 15.280 1.00 0.00 H +ATOM 689 ND1 HIS 48 38.570 27.940 12.820 1.00 0.00 N +ATOM 690 CG HIS 48 39.650 27.300 13.530 1.00 0.00 C +ATOM 691 CE1 HIS 48 38.890 27.770 11.550 1.00 0.00 C +ATOM 692 HE1 HIS 48 38.304 28.346 10.834 1.00 0.00 H +ATOM 693 NE2 HIS 48 40.060 27.160 11.410 1.00 0.00 N +ATOM 694 HE2 HIS 48 40.568 27.000 10.564 1.00 0.00 H +ATOM 695 CD2 HIS 48 40.510 26.870 12.650 1.00 0.00 C +ATOM 696 HD2 HIS 48 41.392 26.298 12.910 1.00 0.00 H +ATOM 697 C HIS 48 38.020 25.250 15.530 1.00 0.00 C +ATOM 698 O HIS 48 37.150 25.420 16.390 1.00 0.00 O +ATOM 699 N GLU 49 37.750 24.440 14.450 1.00 0.00 N +ATOM 700 HN GLU 49 38.458 24.310 13.760 1.00 0.00 H +ATOM 701 CA GLU 49 36.470 23.790 14.240 1.00 0.00 C +ATOM 702 HA GLU 49 35.714 24.556 14.140 1.00 0.00 H +ATOM 703 CB GLU 49 36.350 23.150 12.880 1.00 0.00 C +ATOM 704 HB1 GLU 49 37.050 22.310 12.680 1.00 0.00 H +ATOM 705 HB2 GLU 49 35.332 22.720 12.760 1.00 0.00 H +ATOM 706 CG GLU 49 36.620 24.120 11.700 1.00 0.00 C +ATOM 707 HG1 GLU 49 35.588 24.430 11.430 1.00 0.00 H +ATOM 708 HG2 GLU 49 37.298 24.998 11.750 1.00 0.00 H +ATOM 709 CD GLU 49 37.310 23.440 10.510 1.00 0.00 C +ATOM 710 OE1 GLU 49 36.520 22.810 9.740 1.00 0.00 O +ATOM 711 OE2 GLU 49 38.530 23.520 10.360 1.00 0.00 O +ATOM 712 C GLU 49 35.980 22.860 15.230 1.00 0.00 C +ATOM 713 O GLU 49 34.770 22.960 15.530 1.00 0.00 O +ATOM 714 N ALA 50 36.840 21.970 15.900 1.00 0.00 N +ATOM 715 HN ALA 50 37.812 21.980 15.680 1.00 0.00 H +ATOM 716 CA ALA 50 36.440 21.090 17.020 1.00 0.00 C +ATOM 717 HA ALA 50 35.460 20.680 16.820 1.00 0.00 H +ATOM 718 CB ALA 50 37.440 20.000 17.320 1.00 0.00 C +ATOM 719 HB1 ALA 50 37.610 19.240 16.530 1.00 0.00 H +ATOM 720 HB2 ALA 50 38.450 20.410 17.540 1.00 0.00 H +ATOM 721 HB3 ALA 50 37.260 19.442 18.266 1.00 0.00 H +ATOM 722 C ALA 50 36.180 21.850 18.250 1.00 0.00 C +ATOM 723 O ALA 50 35.170 21.670 18.880 1.00 0.00 O +ATOM 724 N VAL 51 37.100 22.770 18.690 1.00 0.00 N +ATOM 725 HN VAL 51 37.898 22.950 18.120 1.00 0.00 H +ATOM 726 CA VAL 51 37.000 23.660 19.910 1.00 0.00 C +ATOM 727 HA VAL 51 36.940 23.050 20.800 1.00 0.00 H +ATOM 728 CB VAL 51 38.190 24.580 19.990 1.00 0.00 C +ATOM 729 HB VAL 51 38.260 25.088 19.004 1.00 0.00 H +ATOM 730 CG1 VAL 51 38.090 25.800 20.910 1.00 0.00 C +ATOM 731 1HG1 VAL 51 37.410 26.530 20.420 1.00 0.00 H +ATOM 732 2HG1 VAL 51 37.572 25.700 21.888 1.00 0.00 H +ATOM 733 3HG1 VAL 51 39.094 26.276 20.950 1.00 0.00 H +ATOM 734 CG2 VAL 51 39.420 23.660 20.330 1.00 0.00 C +ATOM 735 1HG2 VAL 51 40.342 24.280 20.340 1.00 0.00 H +ATOM 736 2HG2 VAL 51 39.250 23.098 21.272 1.00 0.00 H +ATOM 737 3HG2 VAL 51 39.500 22.912 19.512 1.00 0.00 H +ATOM 738 C VAL 51 35.700 24.460 19.960 1.00 0.00 C +ATOM 739 O VAL 51 34.950 24.400 20.930 1.00 0.00 O +ATOM 740 N VAL 52 35.380 25.130 18.810 1.00 0.00 N +ATOM 741 HN VAL 52 36.020 25.230 18.052 1.00 0.00 H +ATOM 742 CA VAL 52 34.130 25.870 18.690 1.00 0.00 C +ATOM 743 HA VAL 52 34.090 26.550 19.528 1.00 0.00 H +ATOM 744 CB VAL 52 34.190 26.620 17.370 1.00 0.00 C +ATOM 745 HB VAL 52 34.538 25.952 16.552 1.00 0.00 H +ATOM 746 CG1 VAL 52 32.880 27.270 17.000 1.00 0.00 C +ATOM 747 1HG1 VAL 52 32.372 26.422 16.492 1.00 0.00 H +ATOM 748 2HG1 VAL 52 32.290 27.810 17.770 1.00 0.00 H +ATOM 749 3HG1 VAL 52 33.070 27.960 16.150 1.00 0.00 H +ATOM 750 CG2 VAL 52 35.180 27.750 17.390 1.00 0.00 C +ATOM 751 1HG2 VAL 52 34.968 28.644 18.014 1.00 0.00 H +ATOM 752 2HG2 VAL 52 36.244 27.462 17.530 1.00 0.00 H +ATOM 753 3HG2 VAL 52 35.130 28.170 16.362 1.00 0.00 H +ATOM 754 C VAL 52 32.930 24.900 18.770 1.00 0.00 C +ATOM 755 O VAL 52 31.870 25.160 19.360 1.00 0.00 O +ATOM 756 N LYS 53 32.970 23.850 18.030 1.00 0.00 N +ATOM 757 HN LYS 53 33.762 23.514 17.526 1.00 0.00 H +ATOM 758 CA LYS 53 31.830 22.930 17.950 1.00 0.00 C +ATOM 759 HA LYS 53 30.918 23.482 17.780 1.00 0.00 H +ATOM 760 CB LYS 53 31.970 21.830 16.870 1.00 0.00 C +ATOM 761 HB1 LYS 53 31.900 22.354 15.894 1.00 0.00 H +ATOM 762 HB2 LYS 53 32.996 21.438 17.040 1.00 0.00 H +ATOM 763 CG LYS 53 31.020 20.620 16.830 1.00 0.00 C +ATOM 764 HG1 LYS 53 31.240 19.972 15.954 1.00 0.00 H +ATOM 765 HG2 LYS 53 31.030 20.084 17.804 1.00 0.00 H +ATOM 766 CD LYS 53 29.550 21.210 16.610 1.00 0.00 C +ATOM 767 HD1 LYS 53 29.320 21.672 17.594 1.00 0.00 H +ATOM 768 HD2 LYS 53 29.600 21.928 15.762 1.00 0.00 H +ATOM 769 CE LYS 53 28.510 20.160 16.230 1.00 0.00 C +ATOM 770 HE1 LYS 53 28.750 19.970 15.162 1.00 0.00 H +ATOM 771 HE2 LYS 53 28.690 19.250 16.840 1.00 0.00 H +ATOM 772 NZ LYS 53 27.090 20.640 16.480 1.00 0.00 N +ATOM 773 HZ1 LYS 53 26.472 19.872 16.150 1.00 0.00 H +ATOM 774 HZ2 LYS 53 26.898 20.902 17.468 1.00 0.00 H +ATOM 775 HZ3 LYS 53 27.030 21.422 15.798 1.00 0.00 H +ATOM 776 C LYS 53 31.530 22.300 19.310 1.00 0.00 C +ATOM 777 O LYS 53 30.420 22.480 19.830 1.00 0.00 O +ATOM 778 N GLU 54 32.500 21.750 20.080 1.00 0.00 N +ATOM 779 HN GLU 54 33.446 21.740 19.768 1.00 0.00 H +ATOM 780 CA GLU 54 32.250 21.340 21.450 1.00 0.00 C +ATOM 781 HA GLU 54 31.438 20.628 21.400 1.00 0.00 H +ATOM 782 CB GLU 54 33.520 20.640 22.040 1.00 0.00 C +ATOM 783 HB1 GLU 54 34.348 21.378 22.000 1.00 0.00 H +ATOM 784 HB2 GLU 54 33.222 20.452 23.094 1.00 0.00 H +ATOM 785 CG GLU 54 34.050 19.310 21.390 1.00 0.00 C +ATOM 786 HG1 GLU 54 33.194 18.604 21.340 1.00 0.00 H +ATOM 787 HG2 GLU 54 34.302 19.500 20.326 1.00 0.00 H +ATOM 788 CD GLU 54 35.170 18.560 22.090 1.00 0.00 C +ATOM 789 OE1 GLU 54 35.760 19.190 23.000 1.00 0.00 O +ATOM 790 OE2 GLU 54 35.410 17.330 21.850 1.00 0.00 O +ATOM 791 C GLU 54 31.690 22.440 22.380 1.00 0.00 C +ATOM 792 O GLU 54 30.810 22.180 23.200 1.00 0.00 O +ATOM 793 N ALA 55 32.250 23.690 22.340 1.00 0.00 N +ATOM 794 HN ALA 55 32.850 23.850 21.560 1.00 0.00 H +ATOM 795 CA ALA 55 31.680 24.780 23.070 1.00 0.00 C +ATOM 796 HA ALA 55 31.760 24.510 24.112 1.00 0.00 H +ATOM 797 CB ALA 55 32.520 26.040 22.780 1.00 0.00 C +ATOM 798 HB1 ALA 55 32.410 26.402 21.736 1.00 0.00 H +ATOM 799 HB2 ALA 55 32.400 26.898 23.478 1.00 0.00 H +ATOM 800 HB3 ALA 55 33.592 25.750 22.820 1.00 0.00 H +ATOM 801 C ALA 55 30.230 25.190 22.860 1.00 0.00 C +ATOM 802 O ALA 55 29.490 25.590 23.740 1.00 0.00 O +ATOM 803 N GLY 56 29.880 25.250 21.560 1.00 0.00 N +ATOM 804 HN GLY 56 30.412 24.818 20.836 1.00 0.00 H +ATOM 805 CA GLY 56 28.590 25.670 21.010 1.00 0.00 C +ATOM 806 HA1 GLY 56 28.360 26.658 21.380 1.00 0.00 H +ATOM 807 HA2 GLY 56 28.670 25.690 19.932 1.00 0.00 H +ATOM 808 C GLY 56 27.670 24.550 21.430 1.00 0.00 C +ATOM 809 O GLY 56 26.570 24.810 21.970 1.00 0.00 O +ATOM 810 N ASP 57 28.090 23.250 21.210 1.00 0.00 N +ATOM 811 HN ASP 57 28.874 22.998 20.648 1.00 0.00 H +ATOM 812 CA ASP 57 27.340 22.060 21.740 1.00 0.00 C +ATOM 813 HA ASP 57 26.332 22.130 21.360 1.00 0.00 H +ATOM 814 CB ASP 57 27.930 20.750 21.280 1.00 0.00 C +ATOM 815 HB1 ASP 57 28.990 20.620 21.590 1.00 0.00 H +ATOM 816 HB2 ASP 57 27.340 19.940 21.760 1.00 0.00 H +ATOM 817 CG ASP 57 27.730 20.500 19.810 1.00 0.00 C +ATOM 818 OD1 ASP 57 27.220 21.340 19.080 1.00 0.00 O +ATOM 819 OD2 ASP 57 28.030 19.350 19.350 1.00 0.00 O +ATOM 820 C ASP 57 27.140 22.100 23.270 1.00 0.00 C +ATOM 821 O ASP 57 26.090 21.840 23.800 1.00 0.00 O +ATOM 822 N ALA 58 28.160 22.530 24.060 1.00 0.00 N +ATOM 823 HN ALA 58 29.100 22.520 23.730 1.00 0.00 H +ATOM 824 CA ALA 58 28.020 22.600 25.490 1.00 0.00 C +ATOM 825 HA ALA 58 27.620 21.620 25.710 1.00 0.00 H +ATOM 826 CB ALA 58 29.260 22.850 26.150 1.00 0.00 C +ATOM 827 HB1 ALA 58 29.980 22.028 25.950 1.00 0.00 H +ATOM 828 HB2 ALA 58 29.690 23.780 25.720 1.00 0.00 H +ATOM 829 HB3 ALA 58 29.230 22.980 27.252 1.00 0.00 H +ATOM 830 C ALA 58 26.970 23.680 26.040 1.00 0.00 C +ATOM 831 O ALA 58 26.200 23.540 27.000 1.00 0.00 O +ATOM 832 N CYS 59 26.980 24.870 25.410 1.00 0.00 N +ATOM 833 HN CYS 59 27.628 24.900 24.652 1.00 0.00 H +ATOM 834 CA CYS 59 25.990 25.860 25.500 1.00 0.00 C +ATOM 835 HA CYS 59 25.970 26.228 26.516 1.00 0.00 H +ATOM 836 CB CYS 59 26.460 27.030 24.610 1.00 0.00 C +ATOM 837 HB1 CYS 59 27.272 27.582 25.130 1.00 0.00 H +ATOM 838 HB2 CYS 59 27.056 26.564 23.796 1.00 0.00 H +ATOM 839 SG CYS 59 25.100 28.150 23.950 1.00 0.00 S +ATOM 840 HG1 CYS 59 24.722 28.608 25.134 1.00 0.00 H +ATOM 841 C CYS 59 24.550 25.360 25.280 1.00 0.00 C +ATOM 842 O CYS 59 23.690 25.620 26.080 1.00 0.00 O +ATOM 843 N PHE 60 24.330 24.690 24.160 1.00 0.00 N +ATOM 844 HN PHE 60 25.054 24.630 23.476 1.00 0.00 H +ATOM 845 CA PHE 60 22.980 24.170 23.870 1.00 0.00 C +ATOM 846 HA PHE 60 22.304 24.966 24.148 1.00 0.00 H +ATOM 847 CB PHE 60 22.730 23.930 22.350 1.00 0.00 C +ATOM 848 HB1 PHE 60 23.534 23.304 21.904 1.00 0.00 H +ATOM 849 HB2 PHE 60 21.818 23.348 22.100 1.00 0.00 H +ATOM 850 CG PHE 60 22.670 25.290 21.600 1.00 0.00 C +ATOM 851 CD1 PHE 60 21.550 26.140 21.900 1.00 0.00 C +ATOM 852 HD1 PHE 60 20.810 25.760 22.590 1.00 0.00 H +ATOM 853 CE1 PHE 60 21.390 27.300 21.160 1.00 0.00 C +ATOM 854 HE1 PHE 60 20.576 27.954 21.432 1.00 0.00 H +ATOM 855 CZ PHE 60 22.330 27.620 20.190 1.00 0.00 C +ATOM 856 HZ PHE 60 22.340 28.454 19.504 1.00 0.00 H +ATOM 857 CD2 PHE 60 23.550 25.580 20.570 1.00 0.00 C +ATOM 858 HD2 PHE 60 24.426 24.986 20.358 1.00 0.00 H +ATOM 859 CE2 PHE 60 23.390 26.820 19.930 1.00 0.00 C +ATOM 860 HE2 PHE 60 24.130 27.050 19.178 1.00 0.00 H +ATOM 861 C PHE 60 22.540 22.960 24.640 1.00 0.00 C +ATOM 862 O PHE 60 21.390 22.550 24.580 1.00 0.00 O +ATOM 863 N ALA 61 23.450 22.290 25.220 1.00 0.00 N +ATOM 864 HN ALA 61 24.390 22.606 25.120 1.00 0.00 H +ATOM 865 CA ALA 61 23.210 21.340 26.350 1.00 0.00 C +ATOM 866 HA ALA 61 22.460 20.630 26.030 1.00 0.00 H +ATOM 867 CB ALA 61 24.520 20.610 26.630 1.00 0.00 C +ATOM 868 HB1 ALA 61 25.336 21.246 27.038 1.00 0.00 H +ATOM 869 HB2 ALA 61 24.160 19.892 27.398 1.00 0.00 H +ATOM 870 HB3 ALA 61 24.880 20.050 25.740 1.00 0.00 H +ATOM 871 C ALA 61 22.710 22.020 27.640 1.00 0.00 C +ATOM 872 O ALA 61 21.690 21.650 28.210 1.00 0.00 O +ATOM 873 N LYS 62 23.490 22.960 28.160 1.00 0.00 N +ATOM 874 HN LYS 62 24.292 23.240 27.638 1.00 0.00 H +ATOM 875 CA LYS 62 23.190 23.720 29.330 1.00 0.00 C +ATOM 876 HA LYS 62 22.820 23.050 30.090 1.00 0.00 H +ATOM 877 CB LYS 62 24.400 24.480 29.960 1.00 0.00 C +ATOM 878 HB1 LYS 62 25.228 23.740 29.990 1.00 0.00 H +ATOM 879 HB2 LYS 62 24.798 25.348 29.392 1.00 0.00 H +ATOM 880 CG LYS 62 24.130 25.210 31.340 1.00 0.00 C +ATOM 881 HG1 LYS 62 23.422 26.028 31.080 1.00 0.00 H +ATOM 882 HG2 LYS 62 23.540 24.590 32.050 1.00 0.00 H +ATOM 883 CD LYS 62 25.400 25.720 31.970 1.00 0.00 C +ATOM 884 HD1 LYS 62 26.098 24.862 31.870 1.00 0.00 H +ATOM 885 HD2 LYS 62 25.760 26.610 31.410 1.00 0.00 H +ATOM 886 CE LYS 62 25.290 26.070 33.520 1.00 0.00 C +ATOM 887 HE1 LYS 62 24.700 27.010 33.580 1.00 0.00 H +ATOM 888 HE2 LYS 62 24.770 25.182 33.940 1.00 0.00 H +ATOM 889 NZ LYS 62 26.500 26.300 34.220 1.00 0.00 N +ATOM 890 HZ1 LYS 62 27.012 25.408 34.370 1.00 0.00 H +ATOM 891 HZ2 LYS 62 27.090 26.890 33.600 1.00 0.00 H +ATOM 892 HZ3 LYS 62 26.440 26.780 35.140 1.00 0.00 H +ATOM 893 C LYS 62 21.900 24.560 29.180 1.00 0.00 C +ATOM 894 O LYS 62 21.020 24.700 30.070 1.00 0.00 O +ATOM 895 N TYR 63 21.790 25.210 28.050 1.00 0.00 N +ATOM 896 HN TYR 63 22.538 25.190 27.392 1.00 0.00 H +ATOM 897 CA TYR 63 20.630 26.040 27.740 1.00 0.00 C +ATOM 898 HA TYR 63 19.890 25.830 28.500 1.00 0.00 H +ATOM 899 CB TYR 63 20.830 27.560 27.620 1.00 0.00 C +ATOM 900 HB1 TYR 63 21.470 27.690 26.720 1.00 0.00 H +ATOM 901 HB2 TYR 63 19.890 28.140 27.490 1.00 0.00 H +ATOM 902 CG TYR 63 21.550 28.050 28.840 1.00 0.00 C +ATOM 903 CD1 TYR 63 20.950 27.820 30.120 1.00 0.00 C +ATOM 904 HD1 TYR 63 19.954 27.412 30.200 1.00 0.00 H +ATOM 905 CE1 TYR 63 21.560 28.130 31.310 1.00 0.00 C +ATOM 906 HE1 TYR 63 21.112 27.910 32.268 1.00 0.00 H +ATOM 907 CZ TYR 63 22.810 28.750 31.320 1.00 0.00 C +ATOM 908 OH TYR 63 23.460 29.020 32.520 1.00 0.00 O +ATOM 909 HH TYR 63 24.408 29.090 32.390 1.00 0.00 H +ATOM 910 CD2 TYR 63 22.860 28.600 28.880 1.00 0.00 C +ATOM 911 HD2 TYR 63 23.370 28.850 27.960 1.00 0.00 H +ATOM 912 CE2 TYR 63 23.440 29.020 30.080 1.00 0.00 C +ATOM 913 HE2 TYR 63 24.330 29.630 30.080 1.00 0.00 H +ATOM 914 C TYR 63 20.030 25.460 26.540 1.00 0.00 C +ATOM 915 O TYR 63 20.100 25.960 25.470 1.00 0.00 O +ATOM 916 N SER 64 19.270 24.350 26.750 1.00 0.00 N +ATOM 917 HN SER 64 19.130 24.090 27.702 1.00 0.00 H +ATOM 918 CA SER 64 18.380 23.830 25.670 1.00 0.00 C +ATOM 919 HA SER 64 18.900 23.920 24.728 1.00 0.00 H +ATOM 920 CB SER 64 18.030 22.360 26.040 1.00 0.00 C +ATOM 921 HB1 SER 64 17.326 21.918 25.306 1.00 0.00 H +ATOM 922 HB2 SER 64 18.998 21.842 25.870 1.00 0.00 H +ATOM 923 OG SER 64 17.620 22.260 27.440 1.00 0.00 O +ATOM 924 HG1 SER 64 17.932 21.386 27.682 1.00 0.00 H +ATOM 925 C SER 64 17.130 24.630 25.410 1.00 0.00 C +ATOM 926 O SER 64 16.570 24.590 24.290 1.00 0.00 O +ATOM 927 N TYR 65 16.650 25.460 26.340 1.00 0.00 N +ATOM 928 HN TYR 65 17.002 25.330 27.264 1.00 0.00 H +ATOM 929 CA TYR 65 15.580 26.430 26.200 1.00 0.00 C +ATOM 930 HA TYR 65 14.760 25.800 25.890 1.00 0.00 H +ATOM 931 CB TYR 65 15.250 27.090 27.570 1.00 0.00 C +ATOM 932 HB1 TYR 65 14.176 27.370 27.620 1.00 0.00 H +ATOM 933 HB2 TYR 65 15.518 26.284 28.286 1.00 0.00 H +ATOM 934 CG TYR 65 15.880 28.390 27.990 1.00 0.00 C +ATOM 935 CD1 TYR 65 17.190 28.390 28.580 1.00 0.00 C +ATOM 936 HD1 TYR 65 17.572 27.426 28.882 1.00 0.00 H +ATOM 937 CE1 TYR 65 17.810 29.580 28.920 1.00 0.00 C +ATOM 938 HE1 TYR 65 18.818 29.460 29.290 1.00 0.00 H +ATOM 939 CZ TYR 65 17.200 30.830 28.630 1.00 0.00 C +ATOM 940 OH TYR 65 17.870 32.020 28.810 1.00 0.00 O +ATOM 941 HH TYR 65 18.708 31.790 29.218 1.00 0.00 H +ATOM 942 CD2 TYR 65 15.310 29.660 27.710 1.00 0.00 C +ATOM 943 HD2 TYR 65 14.358 29.570 27.208 1.00 0.00 H +ATOM 944 CE2 TYR 65 15.930 30.850 28.040 1.00 0.00 C +ATOM 945 HE2 TYR 65 15.480 31.810 27.840 1.00 0.00 H +ATOM 946 C TYR 65 15.790 27.420 25.070 1.00 0.00 C +ATOM 947 O TYR 65 14.810 28.050 24.590 1.00 0.00 O +ATOM 948 N LEU 66 17.050 27.620 24.620 1.00 0.00 N +ATOM 949 HN LEU 66 17.862 27.270 25.080 1.00 0.00 H +ATOM 950 CA LEU 66 17.330 28.510 23.480 1.00 0.00 C +ATOM 951 HA LEU 66 16.768 29.422 23.610 1.00 0.00 H +ATOM 952 CB LEU 66 18.880 28.720 23.210 1.00 0.00 C +ATOM 953 HB1 LEU 66 19.360 27.730 23.060 1.00 0.00 H +ATOM 954 HB2 LEU 66 19.118 29.388 22.354 1.00 0.00 H +ATOM 955 CG LEU 66 19.500 29.300 24.490 1.00 0.00 C +ATOM 956 HG LEU 66 19.450 28.550 25.310 1.00 0.00 H +ATOM 957 CD1 LEU 66 20.990 29.610 24.410 1.00 0.00 C +ATOM 958 1HD1 LEU 66 21.210 30.442 23.708 1.00 0.00 H +ATOM 959 2HD1 LEU 66 21.340 29.840 25.440 1.00 0.00 H +ATOM 960 3HD1 LEU 66 21.590 28.790 23.960 1.00 0.00 H +ATOM 961 CD2 LEU 66 18.790 30.510 25.000 1.00 0.00 C +ATOM 962 1HD2 LEU 66 17.758 30.320 25.362 1.00 0.00 H +ATOM 963 2HD2 LEU 66 19.200 30.890 25.960 1.00 0.00 H +ATOM 964 3HD2 LEU 66 18.870 31.370 24.300 1.00 0.00 H +ATOM 965 C LEU 66 16.750 28.020 22.230 1.00 0.00 C +ATOM 966 O LEU 66 16.670 28.700 21.200 1.00 0.00 O +ATOM 967 N LYS 67 16.370 26.740 22.170 1.00 0.00 N +ATOM 968 HN LYS 67 16.420 26.098 22.932 1.00 0.00 H +ATOM 969 CA LYS 67 15.760 26.320 20.890 1.00 0.00 C +ATOM 970 HA LYS 67 16.138 26.788 19.994 1.00 0.00 H +ATOM 971 CB LYS 67 16.170 24.850 20.630 1.00 0.00 C +ATOM 972 HB1 LYS 67 15.870 24.200 21.480 1.00 0.00 H +ATOM 973 HB2 LYS 67 15.830 24.510 19.628 1.00 0.00 H +ATOM 974 CG LYS 67 17.680 24.720 20.500 1.00 0.00 C +ATOM 975 HG1 LYS 67 18.188 25.508 19.902 1.00 0.00 H +ATOM 976 HG2 LYS 67 18.116 24.858 21.512 1.00 0.00 H +ATOM 977 CD LYS 67 18.090 23.360 19.880 1.00 0.00 C +ATOM 978 HD1 LYS 67 17.870 22.600 20.660 1.00 0.00 H +ATOM 979 HD2 LYS 67 17.496 23.048 18.994 1.00 0.00 H +ATOM 980 CE LYS 67 19.600 23.290 19.530 1.00 0.00 C +ATOM 981 HE1 LYS 67 19.840 24.120 18.830 1.00 0.00 H +ATOM 982 HE2 LYS 67 20.314 23.450 20.364 1.00 0.00 H +ATOM 983 NZ LYS 67 19.880 21.930 19.010 1.00 0.00 N +ATOM 984 HZ1 LYS 67 20.882 21.730 18.820 1.00 0.00 H +ATOM 985 HZ2 LYS 67 19.510 21.110 19.530 1.00 0.00 H +ATOM 986 HZ3 LYS 67 19.382 21.830 18.102 1.00 0.00 H +ATOM 987 C LYS 67 14.240 26.380 20.870 1.00 0.00 C +ATOM 988 O LYS 67 13.680 26.110 19.770 1.00 0.00 O +ATOM 989 N ASN 68 13.590 26.780 21.990 1.00 0.00 N +ATOM 990 HN ASN 68 14.082 27.012 22.824 1.00 0.00 H +ATOM 991 CA ASN 68 12.150 27.090 21.890 1.00 0.00 C +ATOM 992 HA ASN 68 11.704 26.286 21.324 1.00 0.00 H +ATOM 993 CB ASN 68 11.600 27.290 23.270 1.00 0.00 C +ATOM 994 HB1 ASN 68 12.120 28.168 23.710 1.00 0.00 H +ATOM 995 HB2 ASN 68 10.532 27.590 23.220 1.00 0.00 H +ATOM 996 CG ASN 68 11.580 26.090 24.290 1.00 0.00 C +ATOM 997 OD1 ASN 68 11.730 24.940 23.980 1.00 0.00 O +ATOM 998 ND2 ASN 68 11.500 26.440 25.630 1.00 0.00 N +ATOM 999 1HD2 ASN 68 11.430 27.374 25.982 1.00 0.00 H +ATOM 1000 2HD2 ASN 68 11.420 25.642 26.228 1.00 0.00 H +ATOM 1001 C ASN 68 11.850 28.400 21.120 1.00 0.00 C +ATOM 1002 O ASN 68 12.610 29.350 21.190 1.00 0.00 O +ATOM 1003 N ALA 69 10.670 28.510 20.460 1.00 0.00 N +ATOM 1004 HN ALA 69 9.946 27.824 20.470 1.00 0.00 H +ATOM 1005 CA ALA 69 10.160 29.690 19.780 1.00 0.00 C +ATOM 1006 HA ALA 69 10.700 29.800 18.850 1.00 0.00 H +ATOM 1007 CB ALA 69 8.720 29.430 19.190 1.00 0.00 C +ATOM 1008 HB1 ALA 69 8.022 29.320 20.048 1.00 0.00 H +ATOM 1009 HB2 ALA 69 8.430 30.232 18.478 1.00 0.00 H +ATOM 1010 HB3 ALA 69 8.570 28.524 18.564 1.00 0.00 H +ATOM 1011 C ALA 69 10.230 31.000 20.510 1.00 0.00 C +ATOM 1012 O ALA 69 9.650 31.230 21.560 1.00 0.00 O +ATOM 1013 N GLY 70 10.920 31.990 19.930 1.00 0.00 N +ATOM 1014 HN GLY 70 11.340 31.740 19.060 1.00 0.00 H +ATOM 1015 CA GLY 70 11.150 33.350 20.450 1.00 0.00 C +ATOM 1016 HA1 GLY 70 11.040 34.026 19.614 1.00 0.00 H +ATOM 1017 HA2 GLY 70 10.498 33.480 21.302 1.00 0.00 H +ATOM 1018 C GLY 70 12.560 33.560 20.890 1.00 0.00 C +ATOM 1019 O GLY 70 13.040 34.720 20.980 1.00 0.00 O +ATOM 1020 N GLU 71 13.360 32.480 21.240 1.00 0.00 N +ATOM 1021 HN GLU 71 13.070 31.532 21.340 1.00 0.00 H +ATOM 1022 CA GLU 71 14.720 32.560 21.770 1.00 0.00 C +ATOM 1023 HA GLU 71 14.680 33.426 22.414 1.00 0.00 H +ATOM 1024 CB GLU 71 15.060 31.420 22.770 1.00 0.00 C +ATOM 1025 HB1 GLU 71 15.070 30.410 22.310 1.00 0.00 H +ATOM 1026 HB2 GLU 71 16.142 31.470 23.020 1.00 0.00 H +ATOM 1027 CG GLU 71 14.150 31.450 24.050 1.00 0.00 C +ATOM 1028 HG1 GLU 71 13.170 30.980 23.820 1.00 0.00 H +ATOM 1029 HG2 GLU 71 14.578 30.714 24.766 1.00 0.00 H +ATOM 1030 CD GLU 71 13.910 32.800 24.780 1.00 0.00 C +ATOM 1031 OE1 GLU 71 14.860 33.460 25.300 1.00 0.00 O +ATOM 1032 OE2 GLU 71 12.740 33.220 24.800 1.00 0.00 O +ATOM 1033 C GLU 71 15.730 32.810 20.680 1.00 0.00 C +ATOM 1034 O GLU 71 15.450 32.850 19.500 1.00 0.00 O +ATOM 1035 N ALA 72 17.040 32.960 21.060 1.00 0.00 N +ATOM 1036 HN ALA 72 17.250 33.040 22.032 1.00 0.00 H +ATOM 1037 CA ALA 72 18.290 33.040 20.280 1.00 0.00 C +ATOM 1038 HA ALA 72 18.160 33.702 19.438 1.00 0.00 H +ATOM 1039 CB ALA 72 19.310 33.450 21.370 1.00 0.00 C +ATOM 1040 HB1 ALA 72 19.340 32.756 22.236 1.00 0.00 H +ATOM 1041 HB2 ALA 72 20.298 33.540 20.870 1.00 0.00 H +ATOM 1042 HB3 ALA 72 18.882 34.356 21.848 1.00 0.00 H +ATOM 1043 C ALA 72 18.820 31.770 19.710 1.00 0.00 C +ATOM 1044 O ALA 72 19.970 31.630 19.270 1.00 0.00 O +ATOM 1045 N GLY 73 17.930 30.720 19.630 1.00 0.00 N +ATOM 1046 HN GLY 73 17.064 30.840 20.108 1.00 0.00 H +ATOM 1047 CA GLY 73 18.230 29.490 18.870 1.00 0.00 C +ATOM 1048 HA1 GLY 73 18.948 29.740 18.102 1.00 0.00 H +ATOM 1049 HA2 GLY 73 18.490 28.668 19.520 1.00 0.00 H +ATOM 1050 C GLY 73 16.990 28.910 18.190 1.00 0.00 C +ATOM 1051 O GLY 73 16.870 27.640 18.040 1.00 0.00 O +ATOM 1052 N ASP 74 15.960 29.710 17.790 1.00 0.00 N +ATOM 1053 HN ASP 74 16.030 30.702 17.850 1.00 0.00 H +ATOM 1054 CA ASP 74 14.670 29.050 17.560 1.00 0.00 C +ATOM 1055 HA ASP 74 14.542 28.120 18.094 1.00 0.00 H +ATOM 1056 CB ASP 74 13.500 30.020 18.010 1.00 0.00 C +ATOM 1057 HB1 ASP 74 12.578 29.400 18.020 1.00 0.00 H +ATOM 1058 HB2 ASP 74 13.748 30.398 19.026 1.00 0.00 H +ATOM 1059 CG ASP 74 13.230 31.240 17.180 1.00 0.00 C +ATOM 1060 OD1 ASP 74 14.120 31.720 16.400 1.00 0.00 O +ATOM 1061 OD2 ASP 74 12.120 31.840 17.390 1.00 0.00 O +ATOM 1062 C ASP 74 14.590 28.610 16.070 1.00 0.00 C +ATOM 1063 O ASP 74 13.600 28.000 15.690 1.00 0.00 O +ATOM 1064 N SER 75 15.620 28.870 15.220 1.00 0.00 N +ATOM 1065 HN SER 75 16.472 29.206 15.616 1.00 0.00 H +ATOM 1066 CA SER 75 15.660 28.460 13.810 1.00 0.00 C +ATOM 1067 HA SER 75 15.058 27.576 13.660 1.00 0.00 H +ATOM 1068 CB SER 75 15.120 29.590 12.880 1.00 0.00 C +ATOM 1069 HB1 SER 75 14.990 29.320 11.810 1.00 0.00 H +ATOM 1070 HB2 SER 75 14.084 29.770 13.238 1.00 0.00 H +ATOM 1071 OG SER 75 16.020 30.760 12.900 1.00 0.00 O +ATOM 1072 HG1 SER 75 15.448 31.452 13.240 1.00 0.00 H +ATOM 1073 C SER 75 17.160 28.030 13.460 1.00 0.00 C +ATOM 1074 O SER 75 18.090 28.390 14.170 1.00 0.00 O +ATOM 1075 N PRO 76 17.390 27.290 12.340 1.00 0.00 N +ATOM 1076 CD PRO 76 16.500 26.460 11.580 1.00 0.00 C +ATOM 1077 HD1 PRO 76 16.070 27.072 10.758 1.00 0.00 H +ATOM 1078 HD2 PRO 76 15.592 26.180 12.158 1.00 0.00 H +ATOM 1079 CA PRO 76 18.760 26.800 12.010 1.00 0.00 C +ATOM 1080 HA PRO 76 19.166 26.176 12.794 1.00 0.00 H +ATOM 1081 CB PRO 76 18.680 25.860 10.760 1.00 0.00 C +ATOM 1082 HB1 PRO 76 18.850 26.430 9.822 1.00 0.00 H +ATOM 1083 HB2 PRO 76 19.420 25.030 10.770 1.00 0.00 H +ATOM 1084 CG PRO 76 17.230 25.340 10.900 1.00 0.00 C +ATOM 1085 HG1 PRO 76 16.770 24.860 10.010 1.00 0.00 H +ATOM 1086 HG2 PRO 76 17.400 24.578 11.692 1.00 0.00 H +ATOM 1087 C PRO 76 19.830 27.830 11.890 1.00 0.00 C +ATOM 1088 O PRO 76 20.860 27.660 12.520 1.00 0.00 O +ATOM 1089 N GLU 77 19.580 28.930 11.120 1.00 0.00 N +ATOM 1090 HN GLU 77 18.736 29.010 10.594 1.00 0.00 H +ATOM 1091 CA GLU 77 20.390 30.040 11.050 1.00 0.00 C +ATOM 1092 HA GLU 77 21.304 29.758 10.548 1.00 0.00 H +ATOM 1093 CB GLU 77 19.720 31.080 10.180 1.00 0.00 C +ATOM 1094 HB1 GLU 77 19.560 30.802 9.116 1.00 0.00 H +ATOM 1095 HB2 GLU 77 18.742 31.300 10.660 1.00 0.00 H +ATOM 1096 CG GLU 77 20.360 32.500 10.100 1.00 0.00 C +ATOM 1097 HG1 GLU 77 20.490 33.002 11.082 1.00 0.00 H +ATOM 1098 HG2 GLU 77 21.366 32.350 9.652 1.00 0.00 H +ATOM 1099 CD GLU 77 19.520 33.400 9.200 1.00 0.00 C +ATOM 1100 OE1 GLU 77 18.430 33.880 9.610 1.00 0.00 O +ATOM 1101 OE2 GLU 77 20.030 33.780 8.090 1.00 0.00 O +ATOM 1102 C GLU 77 20.760 30.710 12.320 1.00 0.00 C +ATOM 1103 O GLU 77 21.930 31.080 12.470 1.00 0.00 O +ATOM 1104 N LYS 78 19.840 30.910 13.330 1.00 0.00 N +ATOM 1105 HN LYS 78 18.982 30.402 13.370 1.00 0.00 H +ATOM 1106 CA LYS 78 20.320 31.430 14.640 1.00 0.00 C +ATOM 1107 HA LYS 78 20.702 32.434 14.520 1.00 0.00 H +ATOM 1108 CB LYS 78 19.060 31.620 15.620 1.00 0.00 C +ATOM 1109 HB1 LYS 78 18.470 30.680 15.610 1.00 0.00 H +ATOM 1110 HB2 LYS 78 19.432 31.660 16.666 1.00 0.00 H +ATOM 1111 CG LYS 78 18.320 32.910 15.360 1.00 0.00 C +ATOM 1112 HG1 LYS 78 18.952 33.762 15.690 1.00 0.00 H +ATOM 1113 HG2 LYS 78 18.150 33.172 14.294 1.00 0.00 H +ATOM 1114 CD LYS 78 16.960 32.980 16.040 1.00 0.00 C +ATOM 1115 HD1 LYS 78 16.448 32.036 15.758 1.00 0.00 H +ATOM 1116 HD2 LYS 78 17.090 33.060 17.140 1.00 0.00 H +ATOM 1117 CE LYS 78 16.100 34.210 15.620 1.00 0.00 C +ATOM 1118 HE1 LYS 78 16.700 35.080 15.960 1.00 0.00 H +ATOM 1119 HE2 LYS 78 15.942 34.340 14.528 1.00 0.00 H +ATOM 1120 NZ LYS 78 14.830 34.190 16.370 1.00 0.00 N +ATOM 1121 HZ1 LYS 78 14.418 33.236 16.310 1.00 0.00 H +ATOM 1122 HZ2 LYS 78 15.040 34.390 17.370 1.00 0.00 H +ATOM 1123 HZ3 LYS 78 14.186 34.834 15.868 1.00 0.00 H +ATOM 1124 C LYS 78 21.290 30.560 15.370 1.00 0.00 C +ATOM 1125 O LYS 78 22.170 30.930 16.110 1.00 0.00 O +ATOM 1126 N ILE 79 21.140 29.220 15.220 1.00 0.00 N +ATOM 1127 HN ILE 79 20.454 28.942 14.552 1.00 0.00 H +ATOM 1128 CA ILE 79 21.920 28.150 15.830 1.00 0.00 C +ATOM 1129 HA ILE 79 22.000 28.380 16.882 1.00 0.00 H +ATOM 1130 CB ILE 79 21.230 26.770 15.750 1.00 0.00 C +ATOM 1131 HB ILE 79 20.848 26.570 14.726 1.00 0.00 H +ATOM 1132 CG2 ILE 79 22.220 25.680 16.190 1.00 0.00 C +ATOM 1133 1HG2 ILE 79 22.818 25.302 15.334 1.00 0.00 H +ATOM 1134 2HG2 ILE 79 22.802 26.132 17.022 1.00 0.00 H +ATOM 1135 3HG2 ILE 79 21.690 24.748 16.480 1.00 0.00 H +ATOM 1136 CG1 ILE 79 20.050 26.720 16.680 1.00 0.00 C +ATOM 1137 1HG1 ILE 79 20.338 26.710 17.754 1.00 0.00 H +ATOM 1138 2HG1 ILE 79 19.362 27.588 16.600 1.00 0.00 H +ATOM 1139 CD ILE 79 19.200 25.500 16.470 1.00 0.00 C +ATOM 1140 HD1 ILE 79 18.382 25.440 17.218 1.00 0.00 H +ATOM 1141 HD2 ILE 79 18.750 25.400 15.460 1.00 0.00 H +ATOM 1142 HD3 ILE 79 19.752 24.536 16.460 1.00 0.00 H +ATOM 1143 C ILE 79 23.310 28.230 15.300 1.00 0.00 C +ATOM 1144 O ILE 79 24.310 28.250 16.050 1.00 0.00 O +ATOM 1145 N ASN 80 23.430 28.290 14.010 1.00 0.00 N +ATOM 1146 HN ASN 80 22.666 28.082 13.404 1.00 0.00 H +ATOM 1147 CA ASN 80 24.690 28.450 13.250 1.00 0.00 C +ATOM 1148 HA ASN 80 25.392 27.698 13.580 1.00 0.00 H +ATOM 1149 CB ASN 80 24.400 28.390 11.690 1.00 0.00 C +ATOM 1150 HB1 ASN 80 23.580 29.120 11.520 1.00 0.00 H +ATOM 1151 HB2 ASN 80 25.354 28.628 11.172 1.00 0.00 H +ATOM 1152 CG ASN 80 23.980 26.950 11.170 1.00 0.00 C +ATOM 1153 OD1 ASN 80 23.810 26.020 11.980 1.00 0.00 O +ATOM 1154 ND2 ASN 80 24.010 26.780 9.860 1.00 0.00 N +ATOM 1155 1HD2 ASN 80 24.498 27.458 9.312 1.00 0.00 H +ATOM 1156 2HD2 ASN 80 23.698 25.894 9.518 1.00 0.00 H +ATOM 1157 C ASN 80 25.400 29.750 13.530 1.00 0.00 C +ATOM 1158 O ASN 80 26.590 29.820 13.820 1.00 0.00 O +ATOM 1159 N LYS 81 24.630 30.840 13.520 1.00 0.00 N +ATOM 1160 HN LYS 81 23.688 30.750 13.210 1.00 0.00 H +ATOM 1161 CA LYS 81 25.010 32.120 14.110 1.00 0.00 C +ATOM 1162 HA LYS 81 25.850 32.530 13.570 1.00 0.00 H +ATOM 1163 CB LYS 81 24.000 33.170 13.990 1.00 0.00 C +ATOM 1164 HB1 LYS 81 23.012 32.950 14.448 1.00 0.00 H +ATOM 1165 HB2 LYS 81 24.270 34.046 14.618 1.00 0.00 H +ATOM 1166 CG LYS 81 23.780 33.660 12.550 1.00 0.00 C +ATOM 1167 HG1 LYS 81 24.690 34.090 12.080 1.00 0.00 H +ATOM 1168 HG2 LYS 81 23.570 32.708 12.018 1.00 0.00 H +ATOM 1169 CD LYS 81 22.710 34.790 12.430 1.00 0.00 C +ATOM 1170 HD1 LYS 81 21.716 34.418 12.762 1.00 0.00 H +ATOM 1171 HD2 LYS 81 23.002 35.552 13.182 1.00 0.00 H +ATOM 1172 CE LYS 81 22.770 35.540 11.080 1.00 0.00 C +ATOM 1173 HE1 LYS 81 23.710 36.110 10.920 1.00 0.00 H +ATOM 1174 HE2 LYS 81 22.610 34.820 10.250 1.00 0.00 H +ATOM 1175 NZ LYS 81 21.680 36.530 11.020 1.00 0.00 N +ATOM 1176 HZ1 LYS 81 20.702 36.190 11.120 1.00 0.00 H +ATOM 1177 HZ2 LYS 81 21.810 37.218 11.788 1.00 0.00 H +ATOM 1178 HZ3 LYS 81 21.680 37.050 10.120 1.00 0.00 H +ATOM 1179 C LYS 81 25.590 32.140 15.480 1.00 0.00 C +ATOM 1180 O LYS 81 26.610 32.770 15.770 1.00 0.00 O +ATOM 1181 N CYS 82 25.080 31.430 16.500 1.00 0.00 N +ATOM 1182 HN CYS 82 24.168 31.038 16.410 1.00 0.00 H +ATOM 1183 CA CYS 82 25.670 31.240 17.780 1.00 0.00 C +ATOM 1184 HA CYS 82 25.800 32.246 18.152 1.00 0.00 H +ATOM 1185 CB CYS 82 24.780 30.360 18.620 1.00 0.00 C +ATOM 1186 HB1 CYS 82 23.786 30.826 18.442 1.00 0.00 H +ATOM 1187 HB2 CYS 82 24.570 29.458 18.008 1.00 0.00 H +ATOM 1188 SG CYS 82 25.120 30.140 20.360 1.00 0.00 S +ATOM 1189 HG1 CYS 82 26.014 29.166 20.270 1.00 0.00 H +ATOM 1190 C CYS 82 27.100 30.570 17.600 1.00 0.00 C +ATOM 1191 O CYS 82 28.080 31.070 18.120 1.00 0.00 O +ATOM 1192 N TYR 83 27.290 29.560 16.760 1.00 0.00 N +ATOM 1193 HN TYR 83 26.520 29.260 16.200 1.00 0.00 H +ATOM 1194 CA TYR 83 28.590 28.930 16.510 1.00 0.00 C +ATOM 1195 HA TYR 83 29.052 28.680 17.454 1.00 0.00 H +ATOM 1196 CB TYR 83 28.390 27.670 15.600 1.00 0.00 C +ATOM 1197 HB1 TYR 83 27.970 27.960 14.612 1.00 0.00 H +ATOM 1198 HB2 TYR 83 29.366 27.382 15.152 1.00 0.00 H +ATOM 1199 CG TYR 83 27.700 26.480 16.320 1.00 0.00 C +ATOM 1200 CD1 TYR 83 26.450 26.100 15.940 1.00 0.00 C +ATOM 1201 HD1 TYR 83 25.954 26.538 15.086 1.00 0.00 H +ATOM 1202 CE1 TYR 83 25.790 24.990 16.590 1.00 0.00 C +ATOM 1203 HE1 TYR 83 24.812 24.660 16.270 1.00 0.00 H +ATOM 1204 CZ TYR 83 26.450 24.260 17.590 1.00 0.00 C +ATOM 1205 OH TYR 83 25.760 23.310 18.320 1.00 0.00 O +ATOM 1206 HH TYR 83 26.366 22.664 18.688 1.00 0.00 H +ATOM 1207 CD2 TYR 83 28.360 25.670 17.270 1.00 0.00 C +ATOM 1208 HD2 TYR 83 29.380 25.840 17.580 1.00 0.00 H +ATOM 1209 CE2 TYR 83 27.770 24.580 17.880 1.00 0.00 C +ATOM 1210 HE2 TYR 83 28.282 23.988 18.624 1.00 0.00 H +ATOM 1211 C TYR 83 29.570 29.880 15.820 1.00 0.00 C +ATOM 1212 O TYR 83 30.730 29.900 16.260 1.00 0.00 O +ATOM 1213 N ARG 84 29.080 30.720 14.860 1.00 0.00 N +ATOM 1214 HN ARG 84 28.096 30.650 14.720 1.00 0.00 H +ATOM 1215 CA ARG 84 29.790 31.800 14.190 1.00 0.00 C +ATOM 1216 HA ARG 84 30.658 31.340 13.740 1.00 0.00 H +ATOM 1217 CB ARG 84 28.810 32.360 13.130 1.00 0.00 C +ATOM 1218 HB1 ARG 84 28.570 31.572 12.382 1.00 0.00 H +ATOM 1219 HB2 ARG 84 27.974 32.662 13.794 1.00 0.00 H +ATOM 1220 CG ARG 84 29.380 33.600 12.300 1.00 0.00 C +ATOM 1221 HG1 ARG 84 30.168 34.168 12.838 1.00 0.00 H +ATOM 1222 HG2 ARG 84 29.918 33.142 11.442 1.00 0.00 H +ATOM 1223 CD ARG 84 28.280 34.530 11.830 1.00 0.00 C +ATOM 1224 HD1 ARG 84 28.802 35.144 11.066 1.00 0.00 H +ATOM 1225 HD2 ARG 84 27.418 34.010 11.360 1.00 0.00 H +ATOM 1226 NE ARG 84 27.850 35.220 13.080 1.00 0.00 N +ATOM 1227 HE ARG 84 28.148 34.862 13.966 1.00 0.00 H +ATOM 1228 CZ ARG 84 26.830 36.090 13.090 1.00 0.00 C +ATOM 1229 NH1 ARG 84 26.270 36.560 12.000 1.00 0.00 N +ATOM 1230 1HH1 ARG 84 26.830 36.540 11.172 1.00 0.00 H +ATOM 1231 2HH1 ARG 84 25.630 37.320 12.100 1.00 0.00 H +ATOM 1232 NH2 ARG 84 26.320 36.480 14.210 1.00 0.00 N +ATOM 1233 1HH2 ARG 84 26.910 36.160 14.950 1.00 0.00 H +ATOM 1234 2HH2 ARG 84 25.878 37.376 14.220 1.00 0.00 H +ATOM 1235 C ARG 84 30.240 32.910 15.160 1.00 0.00 C +ATOM 1236 O ARG 84 31.360 33.350 14.980 1.00 0.00 O +ATOM 1237 N ASP 85 29.410 33.300 16.150 1.00 0.00 N +ATOM 1238 HN ASP 85 28.486 32.928 16.210 1.00 0.00 H +ATOM 1239 CA ASP 85 29.870 34.180 17.290 1.00 0.00 C +ATOM 1240 HA ASP 85 30.398 34.968 16.772 1.00 0.00 H +ATOM 1241 CB ASP 85 28.640 34.580 18.170 1.00 0.00 C +ATOM 1242 HB1 ASP 85 27.950 33.810 18.580 1.00 0.00 H +ATOM 1243 HB2 ASP 85 28.800 35.192 19.082 1.00 0.00 H +ATOM 1244 CG ASP 85 27.700 35.400 17.290 1.00 0.00 C +ATOM 1245 OD1 ASP 85 28.090 35.950 16.220 1.00 0.00 O +ATOM 1246 OD2 ASP 85 26.530 35.560 17.730 1.00 0.00 O +ATOM 1247 C ASP 85 30.890 33.500 18.180 1.00 0.00 C +ATOM 1248 O ASP 85 31.880 34.010 18.590 1.00 0.00 O +ATOM 1249 N ILE 86 30.690 32.220 18.540 1.00 0.00 N +ATOM 1250 HN ILE 86 29.998 31.638 18.118 1.00 0.00 H +ATOM 1251 CA ILE 86 31.700 31.510 19.350 1.00 0.00 C +ATOM 1252 HA ILE 86 31.780 32.020 20.300 1.00 0.00 H +ATOM 1253 CB ILE 86 31.230 30.160 19.690 1.00 0.00 C +ATOM 1254 HB ILE 86 30.920 29.670 18.742 1.00 0.00 H +ATOM 1255 CG2 ILE 86 32.260 29.260 20.370 1.00 0.00 C +ATOM 1256 1HG2 ILE 86 33.286 29.160 19.952 1.00 0.00 H +ATOM 1257 2HG2 ILE 86 32.450 29.622 21.404 1.00 0.00 H +ATOM 1258 3HG2 ILE 86 31.838 28.234 20.430 1.00 0.00 H +ATOM 1259 CG1 ILE 86 29.930 30.210 20.630 1.00 0.00 C +ATOM 1260 1HG1 ILE 86 30.322 30.440 21.644 1.00 0.00 H +ATOM 1261 2HG1 ILE 86 29.410 31.130 20.290 1.00 0.00 H +ATOM 1262 CD ILE 86 29.060 28.960 20.810 1.00 0.00 C +ATOM 1263 HD1 ILE 86 29.640 28.220 21.400 1.00 0.00 H +ATOM 1264 HD2 ILE 86 28.042 29.130 21.220 1.00 0.00 H +ATOM 1265 HD3 ILE 86 28.920 28.540 19.790 1.00 0.00 H +ATOM 1266 C ILE 86 33.150 31.410 18.660 1.00 0.00 C +ATOM 1267 O ILE 86 34.180 31.650 19.260 1.00 0.00 O +ATOM 1268 N ASP 87 33.110 31.110 17.340 1.00 0.00 N +ATOM 1269 HN ASP 87 32.216 30.782 17.042 1.00 0.00 H +ATOM 1270 CA ASP 87 34.240 31.110 16.420 1.00 0.00 C +ATOM 1271 HA ASP 87 34.974 30.416 16.802 1.00 0.00 H +ATOM 1272 CB ASP 87 33.600 30.730 15.020 1.00 0.00 C +ATOM 1273 HB1 ASP 87 33.160 29.710 15.070 1.00 0.00 H +ATOM 1274 HB2 ASP 87 32.816 31.394 14.598 1.00 0.00 H +ATOM 1275 CG ASP 87 34.620 30.670 13.900 1.00 0.00 C +ATOM 1276 OD1 ASP 87 35.840 30.380 14.200 1.00 0.00 O +ATOM 1277 OD2 ASP 87 34.290 30.880 12.710 1.00 0.00 O +ATOM 1278 C ASP 87 34.980 32.460 16.250 1.00 0.00 C +ATOM 1279 O ASP 87 36.180 32.590 16.330 1.00 0.00 O +ATOM 1280 N HIS 88 34.230 33.560 16.130 1.00 0.00 N +ATOM 1281 HN HIS 88 33.242 33.430 16.120 1.00 0.00 H +ATOM 1282 CA HIS 88 34.760 34.940 16.210 1.00 0.00 C +ATOM 1283 HA HIS 88 35.468 34.930 15.394 1.00 0.00 H +ATOM 1284 CB HIS 88 33.640 36.020 16.100 1.00 0.00 C +ATOM 1285 HB1 HIS 88 32.754 35.930 16.766 1.00 0.00 H +ATOM 1286 HB2 HIS 88 34.162 36.974 16.322 1.00 0.00 H +ATOM 1287 ND1 HIS 88 32.470 37.240 14.320 1.00 0.00 N +ATOM 1288 CG HIS 88 33.160 36.130 14.670 1.00 0.00 C +ATOM 1289 CE1 HIS 88 32.160 37.090 13.040 1.00 0.00 C +ATOM 1290 HE1 HIS 88 31.390 37.640 12.500 1.00 0.00 H +ATOM 1291 NE2 HIS 88 32.660 35.910 12.570 1.00 0.00 N +ATOM 1292 HE2 HIS 88 32.540 35.578 11.634 1.00 0.00 H +ATOM 1293 CD2 HIS 88 33.360 35.310 13.610 1.00 0.00 C +ATOM 1294 HD2 HIS 88 33.844 34.352 13.468 1.00 0.00 H +ATOM 1295 C HIS 88 35.610 35.150 17.400 1.00 0.00 C +ATOM 1296 O HIS 88 36.770 35.520 17.280 1.00 0.00 O +ATOM 1297 N TYR 89 35.030 34.930 18.620 1.00 0.00 N +ATOM 1298 HN TYR 89 34.070 34.660 18.650 1.00 0.00 H +ATOM 1299 CA TYR 89 35.720 35.060 19.920 1.00 0.00 C +ATOM 1300 HA TYR 89 36.178 36.038 19.890 1.00 0.00 H +ATOM 1301 CB TYR 89 34.780 34.680 21.100 1.00 0.00 C +ATOM 1302 HB1 TYR 89 34.234 33.716 21.010 1.00 0.00 H +ATOM 1303 HB2 TYR 89 35.438 34.560 21.988 1.00 0.00 H +ATOM 1304 CG TYR 89 33.880 35.830 21.390 1.00 0.00 C +ATOM 1305 CD1 TYR 89 34.340 37.080 21.940 1.00 0.00 C +ATOM 1306 HD1 TYR 89 35.406 37.250 21.980 1.00 0.00 H +ATOM 1307 CE1 TYR 89 33.420 38.010 22.360 1.00 0.00 C +ATOM 1308 HE1 TYR 89 33.760 38.970 22.720 1.00 0.00 H +ATOM 1309 CZ TYR 89 32.050 37.710 22.420 1.00 0.00 C +ATOM 1310 OH TYR 89 31.200 38.620 23.130 1.00 0.00 O +ATOM 1311 HH TYR 89 31.738 39.168 23.708 1.00 0.00 H +ATOM 1312 CD2 TYR 89 32.430 35.560 21.370 1.00 0.00 C +ATOM 1313 HD2 TYR 89 32.100 34.558 21.140 1.00 0.00 H +ATOM 1314 CE2 TYR 89 31.560 36.530 21.910 1.00 0.00 C +ATOM 1315 HE2 TYR 89 30.504 36.300 21.890 1.00 0.00 H +ATOM 1316 C TYR 89 36.980 34.230 20.020 1.00 0.00 C +ATOM 1317 O TYR 89 38.010 34.690 20.460 1.00 0.00 O +ATOM 1318 N MET 90 37.090 32.960 19.500 1.00 0.00 N +ATOM 1319 HN MET 90 36.258 32.548 19.138 1.00 0.00 H +ATOM 1320 CA MET 90 38.290 32.220 19.410 1.00 0.00 C +ATOM 1321 HA MET 90 38.768 32.200 20.378 1.00 0.00 H +ATOM 1322 CB MET 90 37.900 30.660 19.150 1.00 0.00 C +ATOM 1323 HB1 MET 90 37.270 30.560 18.240 1.00 0.00 H +ATOM 1324 HB2 MET 90 38.782 29.988 19.080 1.00 0.00 H +ATOM 1325 CG MET 90 37.010 30.070 20.270 1.00 0.00 C +ATOM 1326 HG1 MET 90 36.078 30.660 20.400 1.00 0.00 H +ATOM 1327 HG2 MET 90 36.660 29.072 19.930 1.00 0.00 H +ATOM 1328 SD MET 90 37.850 29.860 21.840 1.00 0.00 S +ATOM 1329 CE MET 90 36.260 29.340 22.540 1.00 0.00 C +ATOM 1330 HE1 MET 90 35.730 28.570 21.940 1.00 0.00 H +ATOM 1331 HE2 MET 90 36.450 29.110 23.610 1.00 0.00 H +ATOM 1332 HE3 MET 90 35.548 30.192 22.480 1.00 0.00 H +ATOM 1333 C MET 90 39.280 32.700 18.400 1.00 0.00 C +ATOM 1334 O MET 90 40.490 32.660 18.580 1.00 0.00 O +ATOM 1335 N ARG 91 38.880 33.240 17.220 1.00 0.00 N +ATOM 1336 HN ARG 91 37.984 32.952 16.892 1.00 0.00 H +ATOM 1337 CA ARG 91 39.740 33.870 16.330 1.00 0.00 C +ATOM 1338 HA ARG 91 40.448 33.112 16.030 1.00 0.00 H +ATOM 1339 CB ARG 91 39.010 34.210 14.980 1.00 0.00 C +ATOM 1340 HB1 ARG 91 38.680 33.250 14.530 1.00 0.00 H +ATOM 1341 HB2 ARG 91 38.040 34.740 15.090 1.00 0.00 H +ATOM 1342 CG ARG 91 39.900 34.790 13.930 1.00 0.00 C +ATOM 1343 HG1 ARG 91 40.050 35.858 14.200 1.00 0.00 H +ATOM 1344 HG2 ARG 91 40.860 34.310 14.220 1.00 0.00 H +ATOM 1345 CD ARG 91 39.450 34.570 12.520 1.00 0.00 C +ATOM 1346 HD1 ARG 91 40.038 35.088 11.732 1.00 0.00 H +ATOM 1347 HD2 ARG 91 39.208 33.496 12.380 1.00 0.00 H +ATOM 1348 NE ARG 91 38.100 35.200 12.360 1.00 0.00 N +ATOM 1349 HE ARG 91 37.360 34.610 12.680 1.00 0.00 H +ATOM 1350 CZ ARG 91 37.730 36.470 12.440 1.00 0.00 C +ATOM 1351 NH1 ARG 91 38.620 37.410 12.520 1.00 0.00 N +ATOM 1352 1HH1 ARG 91 39.554 37.052 12.560 1.00 0.00 H +ATOM 1353 2HH1 ARG 91 38.520 38.386 12.328 1.00 0.00 H +ATOM 1354 NH2 ARG 91 36.450 36.840 12.650 1.00 0.00 N +ATOM 1355 1HH2 ARG 91 35.796 36.186 12.268 1.00 0.00 H +ATOM 1356 2HH2 ARG 91 36.282 37.792 12.392 1.00 0.00 H +ATOM 1357 C ARG 91 40.400 35.180 16.970 1.00 0.00 C +ATOM 1358 O ARG 91 41.590 35.470 16.860 1.00 0.00 O +ATOM 1359 N LEU 92 39.520 35.920 17.670 1.00 0.00 N +ATOM 1360 HN LEU 92 38.556 35.670 17.710 1.00 0.00 H +ATOM 1361 CA LEU 92 39.920 37.040 18.410 1.00 0.00 C +ATOM 1362 HA LEU 92 40.500 37.610 17.700 1.00 0.00 H +ATOM 1363 CB LEU 92 38.790 37.800 19.040 1.00 0.00 C +ATOM 1364 HB1 LEU 92 38.242 37.072 19.678 1.00 0.00 H +ATOM 1365 HB2 LEU 92 39.288 38.518 19.728 1.00 0.00 H +ATOM 1366 CG LEU 92 37.930 38.610 17.980 1.00 0.00 C +ATOM 1367 HG LEU 92 37.540 37.948 17.178 1.00 0.00 H +ATOM 1368 CD1 LEU 92 36.750 39.150 18.860 1.00 0.00 C +ATOM 1369 1HD1 LEU 92 35.774 39.310 18.352 1.00 0.00 H +ATOM 1370 2HD1 LEU 92 36.460 38.510 19.720 1.00 0.00 H +ATOM 1371 3HD1 LEU 92 37.072 40.134 19.262 1.00 0.00 H +ATOM 1372 CD2 LEU 92 38.790 39.650 17.320 1.00 0.00 C +ATOM 1373 1HD2 LEU 92 38.220 40.340 16.660 1.00 0.00 H +ATOM 1374 2HD2 LEU 92 39.356 40.276 18.044 1.00 0.00 H +ATOM 1375 3HD2 LEU 92 39.522 39.128 16.668 1.00 0.00 H +ATOM 1376 C LEU 92 40.900 36.800 19.550 1.00 0.00 C +ATOM 1377 O LEU 92 41.880 37.510 19.740 1.00 0.00 O +ATOM 1378 N ILE 93 40.690 35.700 20.280 1.00 0.00 N +ATOM 1379 HN ILE 93 39.918 35.088 20.130 1.00 0.00 H +ATOM 1380 CA ILE 93 41.650 35.090 21.200 1.00 0.00 C +ATOM 1381 HA ILE 93 41.860 35.788 21.998 1.00 0.00 H +ATOM 1382 CB ILE 93 40.950 33.920 21.980 1.00 0.00 C +ATOM 1383 HB ILE 93 40.286 33.326 21.316 1.00 0.00 H +ATOM 1384 CG2 ILE 93 41.950 32.950 22.660 1.00 0.00 C +ATOM 1385 1HG2 ILE 93 41.422 32.062 23.068 1.00 0.00 H +ATOM 1386 2HG2 ILE 93 42.688 32.570 21.922 1.00 0.00 H +ATOM 1387 3HG2 ILE 93 42.510 33.400 23.508 1.00 0.00 H +ATOM 1388 CG1 ILE 93 39.950 34.580 23.050 1.00 0.00 C +ATOM 1389 1HG1 ILE 93 40.520 35.070 23.870 1.00 0.00 H +ATOM 1390 2HG1 ILE 93 39.458 35.402 22.488 1.00 0.00 H +ATOM 1391 CD ILE 93 38.950 33.570 23.620 1.00 0.00 C +ATOM 1392 HD1 ILE 93 38.270 33.110 22.870 1.00 0.00 H +ATOM 1393 HD2 ILE 93 39.558 32.762 24.080 1.00 0.00 H +ATOM 1394 HD3 ILE 93 38.254 33.798 24.456 1.00 0.00 H +ATOM 1395 C ILE 93 42.940 34.690 20.610 1.00 0.00 C +ATOM 1396 O ILE 93 44.020 34.990 21.080 1.00 0.00 O +ATOM 1397 N ASN 94 42.940 34.040 19.420 1.00 0.00 N +ATOM 1398 HN ASN 94 42.076 33.778 18.998 1.00 0.00 H +ATOM 1399 CA ASN 94 44.060 33.650 18.620 1.00 0.00 C +ATOM 1400 HA ASN 94 44.758 33.182 19.298 1.00 0.00 H +ATOM 1401 CB ASN 94 43.520 32.610 17.520 1.00 0.00 C +ATOM 1402 HB1 ASN 94 43.500 31.606 17.998 1.00 0.00 H +ATOM 1403 HB2 ASN 94 42.500 32.890 17.180 1.00 0.00 H +ATOM 1404 CG ASN 94 44.370 32.560 16.240 1.00 0.00 C +ATOM 1405 OD1 ASN 94 43.830 32.560 15.110 1.00 0.00 O +ATOM 1406 ND2 ASN 94 45.710 32.380 16.430 1.00 0.00 N +ATOM 1407 1HD2 ASN 94 46.168 32.340 17.318 1.00 0.00 H +ATOM 1408 2HD2 ASN 94 46.228 32.400 15.574 1.00 0.00 H +ATOM 1409 C ASN 94 44.890 34.840 18.130 1.00 0.00 C +ATOM 1410 O ASN 94 46.090 34.840 18.240 1.00 0.00 O +ATOM 1411 N TYR 95 44.260 35.940 17.720 1.00 0.00 N +ATOM 1412 HN TYR 95 43.316 35.850 17.412 1.00 0.00 H +ATOM 1413 CA TYR 95 44.900 37.240 17.530 1.00 0.00 C +ATOM 1414 HA TYR 95 45.746 37.150 16.866 1.00 0.00 H +ATOM 1415 CB TYR 95 43.910 38.310 16.990 1.00 0.00 C +ATOM 1416 HB1 TYR 95 43.036 38.350 17.674 1.00 0.00 H +ATOM 1417 HB2 TYR 95 44.402 39.294 16.830 1.00 0.00 H +ATOM 1418 CG TYR 95 43.320 37.810 15.640 1.00 0.00 C +ATOM 1419 CD1 TYR 95 44.000 37.020 14.700 1.00 0.00 C +ATOM 1420 HD1 TYR 95 44.952 36.580 14.960 1.00 0.00 H +ATOM 1421 CE1 TYR 95 43.410 36.800 13.460 1.00 0.00 C +ATOM 1422 HE1 TYR 95 43.972 36.298 12.686 1.00 0.00 H +ATOM 1423 CZ TYR 95 42.260 37.550 13.150 1.00 0.00 C +ATOM 1424 OH TYR 95 41.760 37.310 11.890 1.00 0.00 O +ATOM 1425 HH TYR 95 42.252 36.566 11.538 1.00 0.00 H +ATOM 1426 CD2 TYR 95 42.070 38.400 15.340 1.00 0.00 C +ATOM 1427 HD2 TYR 95 41.522 38.958 16.086 1.00 0.00 H +ATOM 1428 CE2 TYR 95 41.560 38.240 14.100 1.00 0.00 C +ATOM 1429 HE2 TYR 95 40.618 38.710 13.860 1.00 0.00 H +ATOM 1430 C TYR 95 45.470 37.760 18.830 1.00 0.00 C +ATOM 1431 O TYR 95 46.490 38.350 18.900 1.00 0.00 O +ATOM 1432 N SER 96 44.710 37.620 19.940 1.00 0.00 N +ATOM 1433 HN SER 96 43.794 37.228 19.960 1.00 0.00 H +ATOM 1434 CA SER 96 45.170 38.170 21.280 1.00 0.00 C +ATOM 1435 HA SER 96 45.440 39.190 21.050 1.00 0.00 H +ATOM 1436 CB SER 96 44.120 38.050 22.400 1.00 0.00 C +ATOM 1437 HB1 SER 96 43.870 37.002 22.670 1.00 0.00 H +ATOM 1438 HB2 SER 96 44.708 38.608 23.158 1.00 0.00 H +ATOM 1439 OG SER 96 42.910 38.720 22.080 1.00 0.00 O +ATOM 1440 HG1 SER 96 42.410 38.330 21.360 1.00 0.00 H +ATOM 1441 C SER 96 46.480 37.580 21.740 1.00 0.00 C +ATOM 1442 O SER 96 47.410 38.270 22.160 1.00 0.00 O +ATOM 1443 N LEU 97 46.510 36.260 21.660 1.00 0.00 N +ATOM 1444 HN LEU 97 45.700 35.780 21.330 1.00 0.00 H +ATOM 1445 CA LEU 97 47.560 35.400 21.980 1.00 0.00 C +ATOM 1446 HA LEU 97 47.970 35.590 22.960 1.00 0.00 H +ATOM 1447 CB LEU 97 47.240 33.900 21.760 1.00 0.00 C +ATOM 1448 HB1 LEU 97 46.814 33.800 20.738 1.00 0.00 H +ATOM 1449 HB2 LEU 97 48.092 33.198 21.880 1.00 0.00 H +ATOM 1450 CG LEU 97 46.160 33.360 22.730 1.00 0.00 C +ATOM 1451 HG LEU 97 45.340 34.110 22.730 1.00 0.00 H +ATOM 1452 CD1 LEU 97 45.560 32.080 22.200 1.00 0.00 C +ATOM 1453 1HD1 LEU 97 46.416 31.432 21.912 1.00 0.00 H +ATOM 1454 2HD1 LEU 97 44.860 31.650 22.950 1.00 0.00 H +ATOM 1455 3HD1 LEU 97 45.050 32.200 21.220 1.00 0.00 H +ATOM 1456 CD2 LEU 97 46.740 33.170 24.130 1.00 0.00 C +ATOM 1457 1HD2 LEU 97 47.208 32.182 24.330 1.00 0.00 H +ATOM 1458 2HD2 LEU 97 47.396 33.974 24.528 1.00 0.00 H +ATOM 1459 3HD2 LEU 97 45.924 33.378 24.856 1.00 0.00 H +ATOM 1460 C LEU 97 48.740 35.650 21.050 1.00 0.00 C +ATOM 1461 O LEU 97 49.890 35.650 21.550 1.00 0.00 O +ATOM 1462 N VAL 98 48.590 35.900 19.730 1.00 0.00 N +ATOM 1463 HN VAL 98 47.700 35.910 19.280 1.00 0.00 H +ATOM 1464 CA VAL 98 49.780 36.340 18.960 1.00 0.00 C +ATOM 1465 HA VAL 98 50.582 35.628 19.090 1.00 0.00 H +ATOM 1466 CB VAL 98 49.510 36.380 17.440 1.00 0.00 C +ATOM 1467 HB VAL 98 48.652 37.008 17.120 1.00 0.00 H +ATOM 1468 CG1 VAL 98 50.720 36.880 16.640 1.00 0.00 C +ATOM 1469 1HG1 VAL 98 50.640 36.530 15.588 1.00 0.00 H +ATOM 1470 2HG1 VAL 98 50.860 37.982 16.670 1.00 0.00 H +ATOM 1471 3HG1 VAL 98 51.646 36.436 17.062 1.00 0.00 H +ATOM 1472 CG2 VAL 98 49.210 34.940 17.020 1.00 0.00 C +ATOM 1473 1HG2 VAL 98 48.334 34.412 17.458 1.00 0.00 H +ATOM 1474 2HG2 VAL 98 49.120 34.890 15.914 1.00 0.00 H +ATOM 1475 3HG2 VAL 98 50.050 34.240 17.220 1.00 0.00 H +ATOM 1476 C VAL 98 50.270 37.740 19.330 1.00 0.00 C +ATOM 1477 O VAL 98 51.470 37.980 19.430 1.00 0.00 O +ATOM 1478 N VAL 99 49.350 38.670 19.600 1.00 0.00 N +ATOM 1479 HN VAL 99 48.372 38.490 19.530 1.00 0.00 H +ATOM 1480 CA VAL 99 49.590 40.060 19.990 1.00 0.00 C +ATOM 1481 HA VAL 99 50.194 40.572 19.256 1.00 0.00 H +ATOM 1482 CB VAL 99 48.260 40.820 19.910 1.00 0.00 C +ATOM 1483 HB VAL 99 47.464 40.282 20.468 1.00 0.00 H +ATOM 1484 CG1 VAL 99 48.300 42.180 20.610 1.00 0.00 C +ATOM 1485 1HG1 VAL 99 48.220 42.080 21.714 1.00 0.00 H +ATOM 1486 2HG1 VAL 99 49.192 42.820 20.440 1.00 0.00 H +ATOM 1487 3HG1 VAL 99 47.456 42.742 20.158 1.00 0.00 H +ATOM 1488 CG2 VAL 99 47.930 40.970 18.390 1.00 0.00 C +ATOM 1489 1HG2 VAL 99 48.640 41.650 17.870 1.00 0.00 H +ATOM 1490 2HG2 VAL 99 48.050 40.050 17.780 1.00 0.00 H +ATOM 1491 3HG2 VAL 99 46.886 41.288 18.182 1.00 0.00 H +ATOM 1492 C VAL 99 50.360 40.200 21.300 1.00 0.00 C +ATOM 1493 O VAL 99 51.330 40.950 21.340 1.00 0.00 O +ATOM 1494 N GLY 100 50.020 39.340 22.300 1.00 0.00 N +ATOM 1495 HN GLY 100 49.290 38.680 22.140 1.00 0.00 H +ATOM 1496 CA GLY 100 50.590 39.620 23.620 1.00 0.00 C +ATOM 1497 HA1 GLY 100 50.480 38.750 24.250 1.00 0.00 H +ATOM 1498 HA2 GLY 100 51.610 39.960 23.510 1.00 0.00 H +ATOM 1499 C GLY 100 49.770 40.720 24.300 1.00 0.00 C +ATOM 1500 O GLY 100 50.310 41.650 24.910 1.00 0.00 O +ATOM 1501 N GLY 101 48.480 40.630 24.050 1.00 0.00 N +ATOM 1502 HN GLY 101 48.180 39.882 23.462 1.00 0.00 H +ATOM 1503 CA GLY 101 47.620 41.590 24.680 1.00 0.00 C +ATOM 1504 HA1 GLY 101 47.720 41.340 25.726 1.00 0.00 H +ATOM 1505 HA2 GLY 101 47.860 42.622 24.470 1.00 0.00 H +ATOM 1506 C GLY 101 46.230 41.410 24.270 1.00 0.00 C +ATOM 1507 O GLY 101 45.930 40.860 23.230 1.00 0.00 O +ATOM 1508 N THR 102 45.250 41.900 25.030 1.00 0.00 N +ATOM 1509 HN THR 102 45.518 42.484 25.792 1.00 0.00 H +ATOM 1510 CA THR 102 43.800 41.830 24.800 1.00 0.00 C +ATOM 1511 HA THR 102 43.630 40.854 24.372 1.00 0.00 H +ATOM 1512 CB THR 102 43.100 42.040 26.090 1.00 0.00 C +ATOM 1513 HB THR 102 42.008 41.840 26.030 1.00 0.00 H +ATOM 1514 OG1 THR 102 43.240 43.360 26.640 1.00 0.00 O +ATOM 1515 HG1 THR 102 42.598 43.942 26.228 1.00 0.00 H +ATOM 1516 CG2 THR 102 43.680 41.060 27.110 1.00 0.00 C +ATOM 1517 1HG2 THR 102 43.140 40.980 28.078 1.00 0.00 H +ATOM 1518 2HG2 THR 102 43.670 40.020 26.720 1.00 0.00 H +ATOM 1519 3HG2 THR 102 44.712 41.290 27.450 1.00 0.00 H +ATOM 1520 C THR 102 43.330 42.820 23.730 1.00 0.00 C +ATOM 1521 O THR 102 42.150 42.930 23.400 1.00 0.00 O +ATOM 1522 N GLY 103 44.190 43.520 23.040 1.00 0.00 N +ATOM 1523 HN GLY 103 45.148 43.420 23.300 1.00 0.00 H +ATOM 1524 CA GLY 103 43.810 44.540 22.080 1.00 0.00 C +ATOM 1525 HA1 GLY 103 43.280 45.318 22.610 1.00 0.00 H +ATOM 1526 HA2 GLY 103 44.744 44.948 21.722 1.00 0.00 H +ATOM 1527 C GLY 103 42.900 44.110 20.870 1.00 0.00 C +ATOM 1528 O GLY 103 41.990 44.890 20.540 1.00 0.00 O +ATOM 1529 N PRO 104 42.930 42.910 20.230 1.00 0.00 N +ATOM 1530 CD PRO 104 44.110 42.090 20.240 1.00 0.00 C +ATOM 1531 HD1 PRO 104 44.140 41.290 21.010 1.00 0.00 H +ATOM 1532 HD2 PRO 104 45.026 42.668 20.488 1.00 0.00 H +ATOM 1533 CA PRO 104 41.950 42.480 19.280 1.00 0.00 C +ATOM 1534 HA PRO 104 41.710 43.268 18.582 1.00 0.00 H +ATOM 1535 CB PRO 104 42.630 41.250 18.660 1.00 0.00 C +ATOM 1536 HB1 PRO 104 42.380 40.318 19.210 1.00 0.00 H +ATOM 1537 HB2 PRO 104 42.470 41.120 17.568 1.00 0.00 H +ATOM 1538 CG PRO 104 44.130 41.410 18.900 1.00 0.00 C +ATOM 1539 HG1 PRO 104 44.670 40.440 18.940 1.00 0.00 H +ATOM 1540 HG2 PRO 104 44.510 41.908 17.982 1.00 0.00 H +ATOM 1541 C PRO 104 40.680 42.090 19.970 1.00 0.00 C +ATOM 1542 O PRO 104 39.580 42.510 19.530 1.00 0.00 O +ATOM 1543 N VAL 105 40.750 41.330 21.100 1.00 0.00 N +ATOM 1544 HN VAL 105 41.634 41.018 21.442 1.00 0.00 H +ATOM 1545 CA VAL 105 39.530 40.840 21.710 1.00 0.00 C +ATOM 1546 HA VAL 105 38.880 40.520 20.910 1.00 0.00 H +ATOM 1547 CB VAL 105 39.660 39.600 22.630 1.00 0.00 C +ATOM 1548 HB VAL 105 40.302 38.818 22.170 1.00 0.00 H +ATOM 1549 CG1 VAL 105 40.410 39.970 23.950 1.00 0.00 C +ATOM 1550 1HG1 VAL 105 39.862 40.728 24.548 1.00 0.00 H +ATOM 1551 2HG1 VAL 105 40.580 39.170 24.700 1.00 0.00 H +ATOM 1552 3HG1 VAL 105 41.404 40.382 23.678 1.00 0.00 H +ATOM 1553 CG2 VAL 105 38.220 39.050 22.910 1.00 0.00 C +ATOM 1554 1HG2 VAL 105 37.878 38.638 21.936 1.00 0.00 H +ATOM 1555 2HG2 VAL 105 38.340 38.364 23.776 1.00 0.00 H +ATOM 1556 3HG2 VAL 105 37.514 39.806 23.318 1.00 0.00 H +ATOM 1557 C VAL 105 38.680 42.000 22.350 1.00 0.00 C +ATOM 1558 O VAL 105 37.430 42.000 22.360 1.00 0.00 O +ATOM 1559 N ASP 106 39.390 43.090 22.830 1.00 0.00 N +ATOM 1560 HN ASP 106 40.384 43.060 22.900 1.00 0.00 H +ATOM 1561 CA ASP 106 38.890 44.350 23.320 1.00 0.00 C +ATOM 1562 HA ASP 106 38.178 44.140 24.104 1.00 0.00 H +ATOM 1563 CB ASP 106 40.100 45.200 23.840 1.00 0.00 C +ATOM 1564 HB1 ASP 106 40.922 45.280 23.098 1.00 0.00 H +ATOM 1565 HB2 ASP 106 39.740 46.238 24.010 1.00 0.00 H +ATOM 1566 CG ASP 106 40.620 44.820 25.210 1.00 0.00 C +ATOM 1567 OD1 ASP 106 39.890 44.140 26.000 1.00 0.00 O +ATOM 1568 OD2 ASP 106 41.710 45.330 25.510 1.00 0.00 O +ATOM 1569 C ASP 106 38.130 45.180 22.320 1.00 0.00 C +ATOM 1570 O ASP 106 36.930 45.450 22.540 1.00 0.00 O +ATOM 1571 N GLU 107 38.790 45.430 21.200 1.00 0.00 N +ATOM 1572 HN GLU 107 39.692 45.040 21.030 1.00 0.00 H +ATOM 1573 CA GLU 107 38.320 46.420 20.250 1.00 0.00 C +ATOM 1574 HA GLU 107 37.792 47.238 20.718 1.00 0.00 H +ATOM 1575 CB GLU 107 39.480 47.120 19.560 1.00 0.00 C +ATOM 1576 HB1 GLU 107 40.114 46.386 19.018 1.00 0.00 H +ATOM 1577 HB2 GLU 107 39.012 47.708 18.742 1.00 0.00 H +ATOM 1578 CG GLU 107 40.310 48.090 20.460 1.00 0.00 C +ATOM 1579 HG1 GLU 107 39.642 48.918 20.780 1.00 0.00 H +ATOM 1580 HG2 GLU 107 40.860 47.580 21.280 1.00 0.00 H +ATOM 1581 CD GLU 107 41.430 48.840 19.620 1.00 0.00 C +ATOM 1582 OE1 GLU 107 41.090 49.680 18.780 1.00 0.00 O +ATOM 1583 OE2 GLU 107 42.640 48.640 19.850 1.00 0.00 O +ATOM 1584 C GLU 107 37.350 45.830 19.220 1.00 0.00 C +ATOM 1585 O GLU 107 36.460 46.520 18.790 1.00 0.00 O +ATOM 1586 N TRP 108 37.440 44.510 18.920 1.00 0.00 N +ATOM 1587 HN TRP 108 38.144 43.906 19.282 1.00 0.00 H +ATOM 1588 CA TRP 108 36.570 43.870 18.020 1.00 0.00 C +ATOM 1589 HA TRP 108 35.828 44.512 17.568 1.00 0.00 H +ATOM 1590 CB TRP 108 37.490 43.180 16.940 1.00 0.00 C +ATOM 1591 HB1 TRP 108 38.150 42.370 17.320 1.00 0.00 H +ATOM 1592 HB2 TRP 108 36.870 42.720 16.140 1.00 0.00 H +ATOM 1593 CG TRP 108 38.440 44.130 16.170 1.00 0.00 C +ATOM 1594 CD1 TRP 108 38.250 45.420 15.700 1.00 0.00 C +ATOM 1595 HD1 TRP 108 37.442 46.048 16.048 1.00 0.00 H +ATOM 1596 NE1 TRP 108 39.400 45.790 15.030 1.00 0.00 N +ATOM 1597 HE1 TRP 108 39.520 46.504 14.376 1.00 0.00 H +ATOM 1598 CE2 TRP 108 40.340 44.800 14.970 1.00 0.00 C +ATOM 1599 CD2 TRP 108 39.650 43.680 15.600 1.00 0.00 C +ATOM 1600 CE3 TRP 108 40.260 42.450 15.530 1.00 0.00 C +ATOM 1601 HE3 TRP 108 40.020 41.540 16.060 1.00 0.00 H +ATOM 1602 CZ3 TRP 108 41.370 42.280 14.650 1.00 0.00 C +ATOM 1603 HZ3 TRP 108 41.770 41.278 14.620 1.00 0.00 H +ATOM 1604 CZ2 TRP 108 41.510 44.650 14.230 1.00 0.00 C +ATOM 1605 HZ2 TRP 108 41.938 45.508 13.732 1.00 0.00 H +ATOM 1606 CH2 TRP 108 41.980 43.350 13.980 1.00 0.00 C +ATOM 1607 HH2 TRP 108 42.910 43.140 13.470 1.00 0.00 H +ATOM 1608 C TRP 108 35.690 42.840 18.650 1.00 0.00 C +ATOM 1609 O TRP 108 34.860 42.310 17.920 1.00 0.00 O +ATOM 1610 N GLY 109 35.820 42.540 19.950 1.00 0.00 N +ATOM 1611 HN GLY 109 36.634 42.922 20.382 1.00 0.00 H +ATOM 1612 CA GLY 109 34.900 41.640 20.680 1.00 0.00 C +ATOM 1613 HA1 GLY 109 34.148 41.290 19.988 1.00 0.00 H +ATOM 1614 HA2 GLY 109 35.482 40.818 21.070 1.00 0.00 H +ATOM 1615 C GLY 109 34.130 42.430 21.770 1.00 0.00 C +ATOM 1616 O GLY 109 32.930 42.780 21.660 1.00 0.00 O +ATOM 1617 N ILE 110 34.820 42.750 22.930 1.00 0.00 N +ATOM 1618 HN ILE 110 35.808 42.640 22.990 1.00 0.00 H +ATOM 1619 CA ILE 110 34.170 43.360 24.090 1.00 0.00 C +ATOM 1620 HA ILE 110 33.366 42.688 24.352 1.00 0.00 H +ATOM 1621 CB ILE 110 35.150 43.320 25.330 1.00 0.00 C +ATOM 1622 HB ILE 110 35.940 44.090 25.190 1.00 0.00 H +ATOM 1623 CG2 ILE 110 34.280 43.810 26.510 1.00 0.00 C +ATOM 1624 1HG2 ILE 110 33.372 43.170 26.530 1.00 0.00 H +ATOM 1625 2HG2 ILE 110 34.732 43.600 27.502 1.00 0.00 H +ATOM 1626 3HG2 ILE 110 34.080 44.900 26.420 1.00 0.00 H +ATOM 1627 CG1 ILE 110 35.800 41.920 25.390 1.00 0.00 C +ATOM 1628 1HG1 ILE 110 35.048 41.178 25.732 1.00 0.00 H +ATOM 1629 2HG1 ILE 110 36.082 41.456 24.422 1.00 0.00 H +ATOM 1630 CD ILE 110 37.030 41.970 26.280 1.00 0.00 C +ATOM 1631 HD1 ILE 110 37.578 41.004 26.240 1.00 0.00 H +ATOM 1632 HD2 ILE 110 37.744 42.714 25.868 1.00 0.00 H +ATOM 1633 HD3 ILE 110 36.880 42.410 27.290 1.00 0.00 H +ATOM 1634 C ILE 110 33.420 44.730 23.850 1.00 0.00 C +ATOM 1635 O ILE 110 32.340 45.070 24.350 1.00 0.00 O +ATOM 1636 N ALA 111 34.070 45.620 23.060 1.00 0.00 N +ATOM 1637 HN ALA 111 34.994 45.480 22.712 1.00 0.00 H +ATOM 1638 CA ALA 111 33.540 46.870 22.630 1.00 0.00 C +ATOM 1639 HA ALA 111 33.370 47.482 23.502 1.00 0.00 H +ATOM 1640 CB ALA 111 34.530 47.510 21.670 1.00 0.00 C +ATOM 1641 HB1 ALA 111 34.098 48.442 21.248 1.00 0.00 H +ATOM 1642 HB2 ALA 111 35.500 47.670 22.190 1.00 0.00 H +ATOM 1643 HB3 ALA 111 34.790 46.870 20.800 1.00 0.00 H +ATOM 1644 C ALA 111 32.200 46.910 21.960 1.00 0.00 C +ATOM 1645 O ALA 111 32.050 46.480 20.800 1.00 0.00 O +ATOM 1646 N GLY 112 31.200 47.390 22.660 1.00 0.00 N +ATOM 1647 HN GLY 112 31.270 47.680 23.612 1.00 0.00 H +ATOM 1648 CA GLY 112 29.820 47.350 22.060 1.00 0.00 C +ATOM 1649 HA1 GLY 112 29.292 48.108 22.618 1.00 0.00 H +ATOM 1650 HA2 GLY 112 29.890 47.530 20.998 1.00 0.00 H +ATOM 1651 C GLY 112 29.050 46.090 22.310 1.00 0.00 C +ATOM 1652 O GLY 112 27.920 45.950 21.850 1.00 0.00 O +ATOM 1653 N SER 113 29.680 45.150 23.050 1.00 0.00 N +ATOM 1654 HN SER 113 30.516 45.348 23.558 1.00 0.00 H +ATOM 1655 CA SER 113 29.100 43.780 23.110 1.00 0.00 C +ATOM 1656 HA SER 113 28.970 43.490 22.078 1.00 0.00 H +ATOM 1657 CB SER 113 30.170 42.800 23.770 1.00 0.00 C +ATOM 1658 HB1 SER 113 29.710 41.790 23.760 1.00 0.00 H +ATOM 1659 HB2 SER 113 31.038 42.710 23.082 1.00 0.00 H +ATOM 1660 OG SER 113 30.580 43.290 25.050 1.00 0.00 O +ATOM 1661 HG1 SER 113 31.306 43.876 24.822 1.00 0.00 H +ATOM 1662 C SER 113 27.770 43.700 23.900 1.00 0.00 C +ATOM 1663 O SER 113 26.780 43.110 23.500 1.00 0.00 O +ATOM 1664 N ARG 114 27.710 44.400 25.020 1.00 0.00 N +ATOM 1665 HN ARG 114 28.602 44.820 25.170 1.00 0.00 H +ATOM 1666 CA ARG 114 26.420 44.540 25.790 1.00 0.00 C +ATOM 1667 HA ARG 114 26.070 43.532 25.960 1.00 0.00 H +ATOM 1668 CB ARG 114 26.740 45.330 27.040 1.00 0.00 C +ATOM 1669 HB1 ARG 114 27.180 46.308 26.750 1.00 0.00 H +ATOM 1670 HB2 ARG 114 25.746 45.400 27.532 1.00 0.00 H +ATOM 1671 CG ARG 114 27.680 44.590 27.980 1.00 0.00 C +ATOM 1672 HG1 ARG 114 27.258 43.566 28.050 1.00 0.00 H +ATOM 1673 HG2 ARG 114 28.696 44.570 27.532 1.00 0.00 H +ATOM 1674 CD ARG 114 27.730 45.030 29.470 1.00 0.00 C +ATOM 1675 HD1 ARG 114 26.726 44.708 29.822 1.00 0.00 H +ATOM 1676 HD2 ARG 114 28.584 44.608 30.042 1.00 0.00 H +ATOM 1677 NE ARG 114 27.860 46.530 29.440 1.00 0.00 N +ATOM 1678 HE ARG 114 28.616 46.988 28.972 1.00 0.00 H +ATOM 1679 CZ ARG 114 26.930 47.410 29.880 1.00 0.00 C +ATOM 1680 NH1 ARG 114 25.860 47.000 30.370 1.00 0.00 N +ATOM 1681 1HH1 ARG 114 25.710 46.012 30.320 1.00 0.00 H +ATOM 1682 2HH1 ARG 114 25.182 47.638 30.738 1.00 0.00 H +ATOM 1683 NH2 ARG 114 27.110 48.730 29.710 1.00 0.00 N +ATOM 1684 1HH2 ARG 114 27.930 49.070 29.250 1.00 0.00 H +ATOM 1685 2HH2 ARG 114 26.406 49.294 30.142 1.00 0.00 H +ATOM 1686 C ARG 114 25.280 45.200 25.010 1.00 0.00 C +ATOM 1687 O ARG 114 24.240 44.570 24.940 1.00 0.00 O +ATOM 1688 N GLU 115 25.580 46.320 24.330 1.00 0.00 N +ATOM 1689 HN GLU 115 26.456 46.798 24.320 1.00 0.00 H +ATOM 1690 CA GLU 115 24.600 46.970 23.530 1.00 0.00 C +ATOM 1691 HA GLU 115 23.734 47.302 24.084 1.00 0.00 H +ATOM 1692 CB GLU 115 25.150 48.300 22.880 1.00 0.00 C +ATOM 1693 HB1 GLU 115 26.108 47.990 22.410 1.00 0.00 H +ATOM 1694 HB2 GLU 115 24.430 48.670 22.120 1.00 0.00 H +ATOM 1695 CG GLU 115 25.250 49.460 23.930 1.00 0.00 C +ATOM 1696 HG1 GLU 115 25.802 50.312 23.478 1.00 0.00 H +ATOM 1697 HG2 GLU 115 24.226 49.842 24.130 1.00 0.00 H +ATOM 1698 CD GLU 115 26.060 49.160 25.210 1.00 0.00 C +ATOM 1699 OE1 GLU 115 27.220 48.710 25.050 1.00 0.00 O +ATOM 1700 OE2 GLU 115 25.520 49.450 26.340 1.00 0.00 O +ATOM 1701 C GLU 115 24.060 46.090 22.440 1.00 0.00 C +ATOM 1702 O GLU 115 22.870 46.200 22.090 1.00 0.00 O +ATOM 1703 N VAL 116 24.880 45.240 21.790 1.00 0.00 N +ATOM 1704 HN VAL 116 25.858 45.250 21.980 1.00 0.00 H +ATOM 1705 CA VAL 116 24.460 44.310 20.720 1.00 0.00 C +ATOM 1706 HA VAL 116 23.870 44.940 20.070 1.00 0.00 H +ATOM 1707 CB VAL 116 25.560 43.800 19.790 1.00 0.00 C +ATOM 1708 HB VAL 116 26.352 43.178 20.260 1.00 0.00 H +ATOM 1709 CG1 VAL 116 24.970 43.090 18.590 1.00 0.00 C +ATOM 1710 1HG1 VAL 116 24.430 42.152 18.840 1.00 0.00 H +ATOM 1711 2HG1 VAL 116 24.270 43.850 18.180 1.00 0.00 H +ATOM 1712 3HG1 VAL 116 25.700 42.840 17.790 1.00 0.00 H +ATOM 1713 CG2 VAL 116 26.210 45.020 19.110 1.00 0.00 C +ATOM 1714 1HG2 VAL 116 26.660 44.750 18.130 1.00 0.00 H +ATOM 1715 2HG2 VAL 116 25.510 45.870 18.960 1.00 0.00 H +ATOM 1716 3HG2 VAL 116 26.980 45.430 19.800 1.00 0.00 H +ATOM 1717 C VAL 116 23.520 43.150 21.280 1.00 0.00 C +ATOM 1718 O VAL 116 22.290 43.040 21.040 1.00 0.00 O +ATOM 1719 N TYR 117 24.020 42.360 22.270 1.00 0.00 N +ATOM 1720 HN TYR 117 24.936 42.480 22.648 1.00 0.00 H +ATOM 1721 CA TYR 117 23.370 41.220 22.880 1.00 0.00 C +ATOM 1722 HA TYR 117 23.058 40.558 22.086 1.00 0.00 H +ATOM 1723 CB TYR 117 24.380 40.540 23.830 1.00 0.00 C +ATOM 1724 HB1 TYR 117 24.682 41.142 24.714 1.00 0.00 H +ATOM 1725 HB2 TYR 117 23.928 39.646 24.312 1.00 0.00 H +ATOM 1726 CG TYR 117 25.680 40.140 23.100 1.00 0.00 C +ATOM 1727 CD1 TYR 117 25.770 39.700 21.790 1.00 0.00 C +ATOM 1728 HD1 TYR 117 24.844 39.488 21.276 1.00 0.00 H +ATOM 1729 CE1 TYR 117 26.950 39.240 21.160 1.00 0.00 C +ATOM 1730 HE1 TYR 117 27.090 38.838 20.168 1.00 0.00 H +ATOM 1731 CZ TYR 117 28.120 39.310 21.870 1.00 0.00 C +ATOM 1732 OH TYR 117 29.250 38.780 21.240 1.00 0.00 O +ATOM 1733 HH TYR 117 29.914 38.750 21.934 1.00 0.00 H +ATOM 1734 CD2 TYR 117 26.910 40.040 23.830 1.00 0.00 C +ATOM 1735 HD2 TYR 117 26.960 40.372 24.856 1.00 0.00 H +ATOM 1736 CE2 TYR 117 28.090 39.610 23.230 1.00 0.00 C +ATOM 1737 HE2 TYR 117 28.920 39.610 23.920 1.00 0.00 H +ATOM 1738 C TYR 117 22.090 41.640 23.640 1.00 0.00 C +ATOM 1739 O TYR 117 21.060 40.950 23.490 1.00 0.00 O +ATOM 1740 N ARG 118 22.030 42.820 24.280 1.00 0.00 N +ATOM 1741 HN ARG 118 22.890 43.320 24.360 1.00 0.00 H +ATOM 1742 CA ARG 118 20.830 43.440 24.810 1.00 0.00 C +ATOM 1743 HA ARG 118 20.458 42.718 25.522 1.00 0.00 H +ATOM 1744 CB ARG 118 21.090 44.770 25.640 1.00 0.00 C +ATOM 1745 HB1 ARG 118 21.748 44.430 26.468 1.00 0.00 H +ATOM 1746 HB2 ARG 118 21.680 45.378 24.922 1.00 0.00 H +ATOM 1747 CG ARG 118 19.920 45.690 26.100 1.00 0.00 C +ATOM 1748 HG1 ARG 118 18.936 45.600 25.592 1.00 0.00 H +ATOM 1749 HG2 ARG 118 19.652 45.392 27.136 1.00 0.00 H +ATOM 1750 CD ARG 118 20.250 47.180 26.250 1.00 0.00 C +ATOM 1751 HD1 ARG 118 20.400 47.648 25.254 1.00 0.00 H +ATOM 1752 HD2 ARG 118 19.402 47.748 26.688 1.00 0.00 H +ATOM 1753 NE ARG 118 21.520 47.340 27.060 1.00 0.00 N +ATOM 1754 HE ARG 118 21.880 46.560 27.570 1.00 0.00 H +ATOM 1755 CZ ARG 118 22.450 48.270 26.810 1.00 0.00 C +ATOM 1756 NH1 ARG 118 22.400 49.130 25.830 1.00 0.00 N +ATOM 1757 1HH1 ARG 118 21.860 48.940 25.010 1.00 0.00 H +ATOM 1758 2HH1 ARG 118 23.182 49.752 25.830 1.00 0.00 H +ATOM 1759 NH2 ARG 118 23.540 48.140 27.600 1.00 0.00 N +ATOM 1760 1HH2 ARG 118 23.590 47.470 28.340 1.00 0.00 H +ATOM 1761 2HH2 ARG 118 24.392 48.510 27.230 1.00 0.00 H +ATOM 1762 C ARG 118 19.690 43.570 23.830 1.00 0.00 C +ATOM 1763 O ARG 118 18.610 43.070 24.100 1.00 0.00 O +ATOM 1764 N ALA 119 20.000 44.220 22.670 1.00 0.00 N +ATOM 1765 HN ALA 119 20.942 44.510 22.520 1.00 0.00 H +ATOM 1766 CA ALA 119 19.020 44.590 21.700 1.00 0.00 C +ATOM 1767 HA ALA 119 18.152 45.030 22.170 1.00 0.00 H +ATOM 1768 CB ALA 119 19.690 45.620 20.720 1.00 0.00 C +ATOM 1769 HB1 ALA 119 19.900 46.582 21.232 1.00 0.00 H +ATOM 1770 HB2 ALA 119 20.668 45.172 20.440 1.00 0.00 H +ATOM 1771 HB3 ALA 119 18.984 45.760 19.874 1.00 0.00 H +ATOM 1772 C ALA 119 18.490 43.390 20.910 1.00 0.00 C +ATOM 1773 O ALA 119 17.290 43.220 20.640 1.00 0.00 O +ATOM 1774 N LEU 120 19.380 42.430 20.570 1.00 0.00 N +ATOM 1775 HN LEU 120 20.332 42.530 20.850 1.00 0.00 H +ATOM 1776 CA LEU 120 18.970 41.330 19.760 1.00 0.00 C +ATOM 1777 HA LEU 120 18.218 41.700 19.078 1.00 0.00 H +ATOM 1778 CB LEU 120 20.270 40.720 19.090 1.00 0.00 C +ATOM 1779 HB1 LEU 120 21.000 40.560 19.912 1.00 0.00 H +ATOM 1780 HB2 LEU 120 19.950 39.738 18.680 1.00 0.00 H +ATOM 1781 CG LEU 120 21.040 41.630 18.120 1.00 0.00 C +ATOM 1782 HG LEU 120 21.458 42.508 18.658 1.00 0.00 H +ATOM 1783 CD1 LEU 120 22.150 40.900 17.440 1.00 0.00 C +ATOM 1784 1HD1 LEU 120 22.512 41.652 16.708 1.00 0.00 H +ATOM 1785 2HD1 LEU 120 22.984 40.468 18.032 1.00 0.00 H +ATOM 1786 3HD1 LEU 120 21.680 40.070 16.870 1.00 0.00 H +ATOM 1787 CD2 LEU 120 20.090 42.130 17.050 1.00 0.00 C +ATOM 1788 1HD2 LEU 120 19.362 42.878 17.430 1.00 0.00 H +ATOM 1789 2HD2 LEU 120 20.706 42.528 16.214 1.00 0.00 H +ATOM 1790 3HD2 LEU 120 19.430 41.312 16.690 1.00 0.00 H +ATOM 1791 C LEU 120 18.270 40.120 20.510 1.00 0.00 C +ATOM 1792 O LEU 120 17.730 39.180 19.900 1.00 0.00 O +ATOM 1793 N ASN 121 18.300 40.170 21.910 1.00 0.00 N +ATOM 1794 HN ASN 121 18.520 41.070 22.280 1.00 0.00 H +ATOM 1795 CA ASN 121 17.890 39.100 22.880 1.00 0.00 C +ATOM 1796 HA ASN 121 18.202 39.582 23.794 1.00 0.00 H +ATOM 1797 CB ASN 121 16.360 38.750 22.790 1.00 0.00 C +ATOM 1798 HB1 ASN 121 15.730 39.618 23.080 1.00 0.00 H +ATOM 1799 HB2 ASN 121 16.140 38.360 21.772 1.00 0.00 H +ATOM 1800 CG ASN 121 15.890 37.770 23.890 1.00 0.00 C +ATOM 1801 OD1 ASN 121 16.430 37.540 24.970 1.00 0.00 O +ATOM 1802 ND2 ASN 121 14.930 36.960 23.440 1.00 0.00 N +ATOM 1803 1HD2 ASN 121 14.418 37.130 22.598 1.00 0.00 H +ATOM 1804 2HD2 ASN 121 14.462 36.472 24.178 1.00 0.00 H +ATOM 1805 C ASN 121 18.800 37.880 22.840 1.00 0.00 C +ATOM 1806 O ASN 121 18.480 36.830 22.330 1.00 0.00 O +ATOM 1807 N LEU 122 20.110 38.150 23.260 1.00 0.00 N +ATOM 1808 HN LEU 122 20.492 39.064 23.360 1.00 0.00 H +ATOM 1809 CA LEU 122 21.050 37.100 23.180 1.00 0.00 C +ATOM 1810 HA LEU 122 20.622 36.132 22.960 1.00 0.00 H +ATOM 1811 CB LEU 122 22.110 37.400 22.170 1.00 0.00 C +ATOM 1812 HB1 LEU 122 22.620 38.352 22.430 1.00 0.00 H +ATOM 1813 HB2 LEU 122 22.864 36.586 22.120 1.00 0.00 H +ATOM 1814 CG LEU 122 21.540 37.710 20.790 1.00 0.00 C +ATOM 1815 HG LEU 122 20.750 38.490 20.800 1.00 0.00 H +ATOM 1816 CD1 LEU 122 22.580 38.110 19.810 1.00 0.00 C +ATOM 1817 1HD1 LEU 122 23.136 39.024 20.108 1.00 0.00 H +ATOM 1818 2HD1 LEU 122 23.400 37.360 19.800 1.00 0.00 H +ATOM 1819 3HD1 LEU 122 22.068 38.140 18.826 1.00 0.00 H +ATOM 1820 CD2 LEU 122 21.030 36.360 20.250 1.00 0.00 C +ATOM 1821 1HD2 LEU 122 21.792 35.558 20.350 1.00 0.00 H +ATOM 1822 2HD2 LEU 122 20.150 35.960 20.800 1.00 0.00 H +ATOM 1823 3HD2 LEU 122 20.780 36.440 19.170 1.00 0.00 H +ATOM 1824 C LEU 122 21.630 37.030 24.610 1.00 0.00 C +ATOM 1825 O LEU 122 22.270 38.000 25.010 1.00 0.00 O +ATOM 1826 N PRO 123 21.410 35.970 25.350 1.00 0.00 N +ATOM 1827 CD PRO 123 20.330 35.000 25.170 1.00 0.00 C +ATOM 1828 HD1 PRO 123 20.778 34.144 24.622 1.00 0.00 H +ATOM 1829 HD2 PRO 123 19.444 35.464 24.686 1.00 0.00 H +ATOM 1830 CA PRO 123 22.070 35.820 26.560 1.00 0.00 C +ATOM 1831 HA PRO 123 21.640 36.530 27.250 1.00 0.00 H +ATOM 1832 CB PRO 123 21.680 34.440 26.980 1.00 0.00 C +ATOM 1833 HB1 PRO 123 22.220 33.640 26.430 1.00 0.00 H +ATOM 1834 HB2 PRO 123 21.860 34.120 28.028 1.00 0.00 H +ATOM 1835 CG PRO 123 20.170 34.390 26.570 1.00 0.00 C +ATOM 1836 HG1 PRO 123 19.760 33.368 26.420 1.00 0.00 H +ATOM 1837 HG2 PRO 123 19.492 35.068 27.130 1.00 0.00 H +ATOM 1838 C PRO 123 23.600 35.930 26.610 1.00 0.00 C +ATOM 1839 O PRO 123 24.280 35.270 25.800 1.00 0.00 O +ATOM 1840 N GLY 124 24.200 36.570 27.700 1.00 0.00 N +ATOM 1841 HN GLY 124 23.710 36.990 28.460 1.00 0.00 H +ATOM 1842 CA GLY 124 25.670 36.510 27.900 1.00 0.00 C +ATOM 1843 HA1 GLY 124 26.194 36.380 26.964 1.00 0.00 H +ATOM 1844 HA2 GLY 124 25.890 37.334 28.562 1.00 0.00 H +ATOM 1845 C GLY 124 26.070 35.260 28.620 1.00 0.00 C +ATOM 1846 O GLY 124 27.170 34.780 28.530 1.00 0.00 O +ATOM 1847 N SER 125 25.100 34.640 29.280 1.00 0.00 N +ATOM 1848 HN SER 125 24.160 34.950 29.170 1.00 0.00 H +ATOM 1849 CA SER 125 25.260 33.370 30.010 1.00 0.00 C +ATOM 1850 HA SER 125 26.154 33.528 30.596 1.00 0.00 H +ATOM 1851 CB SER 125 24.090 33.010 30.950 1.00 0.00 C +ATOM 1852 HB1 SER 125 24.160 31.948 31.270 1.00 0.00 H +ATOM 1853 HB2 SER 125 24.210 33.608 31.878 1.00 0.00 H +ATOM 1854 OG SER 125 22.770 33.110 30.330 1.00 0.00 O +ATOM 1855 HG1 SER 125 22.612 34.052 30.430 1.00 0.00 H +ATOM 1856 C SER 125 25.480 32.120 29.150 1.00 0.00 C +ATOM 1857 O SER 125 26.330 31.290 29.450 1.00 0.00 O +ATOM 1858 N ALA 126 24.750 32.030 28.060 1.00 0.00 N +ATOM 1859 HN ALA 126 24.032 32.720 28.010 1.00 0.00 H +ATOM 1860 CA ALA 126 24.890 31.120 27.010 1.00 0.00 C +ATOM 1861 HA ALA 126 24.780 30.122 27.410 1.00 0.00 H +ATOM 1862 CB ALA 126 23.750 31.340 25.990 1.00 0.00 C +ATOM 1863 HB1 ALA 126 23.700 32.390 25.630 1.00 0.00 H +ATOM 1864 HB2 ALA 126 23.950 30.646 25.146 1.00 0.00 H +ATOM 1865 HB3 ALA 126 22.774 31.270 26.518 1.00 0.00 H +ATOM 1866 C ALA 126 26.270 31.270 26.250 1.00 0.00 C +ATOM 1867 O ALA 126 26.950 30.290 26.100 1.00 0.00 O +ATOM 1868 N TYR 127 26.780 32.490 25.940 1.00 0.00 N +ATOM 1869 HN TYR 127 26.128 33.242 26.000 1.00 0.00 H +ATOM 1870 CA TYR 127 28.220 32.810 25.680 1.00 0.00 C +ATOM 1871 HA TYR 127 28.510 32.080 24.940 1.00 0.00 H +ATOM 1872 CB TYR 127 28.500 34.320 25.440 1.00 0.00 C +ATOM 1873 HB1 TYR 127 28.180 35.000 26.260 1.00 0.00 H +ATOM 1874 HB2 TYR 127 29.598 34.420 25.300 1.00 0.00 H +ATOM 1875 CG TYR 127 27.880 34.680 24.100 1.00 0.00 C +ATOM 1876 CD1 TYR 127 28.200 33.990 22.900 1.00 0.00 C +ATOM 1877 HD1 TYR 127 28.898 33.182 23.060 1.00 0.00 H +ATOM 1878 CE1 TYR 127 27.550 34.330 21.660 1.00 0.00 C +ATOM 1879 HE1 TYR 127 27.770 33.730 20.790 1.00 0.00 H +ATOM 1880 CZ TYR 127 26.690 35.340 21.610 1.00 0.00 C +ATOM 1881 OH TYR 127 25.940 35.660 20.460 1.00 0.00 O +ATOM 1882 HH TYR 127 26.418 35.490 19.644 1.00 0.00 H +ATOM 1883 CD2 TYR 127 26.990 35.780 24.050 1.00 0.00 C +ATOM 1884 HD2 TYR 127 26.790 36.330 24.958 1.00 0.00 H +ATOM 1885 CE2 TYR 127 26.350 36.060 22.780 1.00 0.00 C +ATOM 1886 HE2 TYR 127 25.624 36.856 22.690 1.00 0.00 H +ATOM 1887 C TYR 127 29.220 32.350 26.870 1.00 0.00 C +ATOM 1888 O TYR 127 30.270 31.690 26.660 1.00 0.00 O +ATOM 1889 N ILE 128 28.890 32.700 28.140 1.00 0.00 N +ATOM 1890 HN ILE 128 28.008 33.102 28.370 1.00 0.00 H +ATOM 1891 CA ILE 128 29.730 32.380 29.350 1.00 0.00 C +ATOM 1892 HA ILE 128 30.760 32.660 29.180 1.00 0.00 H +ATOM 1893 CB ILE 128 29.290 33.040 30.660 1.00 0.00 C +ATOM 1894 HB ILE 128 28.184 32.940 30.630 1.00 0.00 H +ATOM 1895 CG2 ILE 128 29.690 32.180 31.880 1.00 0.00 C +ATOM 1896 1HG2 ILE 128 30.730 31.790 31.860 1.00 0.00 H +ATOM 1897 2HG2 ILE 128 29.690 32.950 32.680 1.00 0.00 H +ATOM 1898 3HG2 ILE 128 29.092 31.262 32.070 1.00 0.00 H +ATOM 1899 CG1 ILE 128 29.540 34.540 30.780 1.00 0.00 C +ATOM 1900 1HG1 ILE 128 30.498 34.760 31.298 1.00 0.00 H +ATOM 1901 2HG1 ILE 128 29.460 35.090 29.818 1.00 0.00 H +ATOM 1902 CD ILE 128 28.460 35.230 31.700 1.00 0.00 C +ATOM 1903 HD1 ILE 128 28.740 36.302 31.620 1.00 0.00 H +ATOM 1904 HD2 ILE 128 27.472 35.060 31.220 1.00 0.00 H +ATOM 1905 HD3 ILE 128 28.640 34.890 32.742 1.00 0.00 H +ATOM 1906 C ILE 128 29.890 30.900 29.570 1.00 0.00 C +ATOM 1907 O ILE 128 30.950 30.420 29.980 1.00 0.00 O +ATOM 1908 N ALA 129 28.810 30.110 29.290 1.00 0.00 N +ATOM 1909 HN ALA 129 27.950 30.580 29.110 1.00 0.00 H +ATOM 1910 CA ALA 129 28.810 28.670 29.370 1.00 0.00 C +ATOM 1911 HA ALA 129 29.170 28.440 30.362 1.00 0.00 H +ATOM 1912 CB ALA 129 27.350 28.160 29.180 1.00 0.00 C +ATOM 1913 HB1 ALA 129 27.270 27.052 29.190 1.00 0.00 H +ATOM 1914 HB2 ALA 129 26.620 28.550 29.920 1.00 0.00 H +ATOM 1915 HB3 ALA 129 26.890 28.600 28.270 1.00 0.00 H +ATOM 1916 C ALA 129 29.680 27.970 28.340 1.00 0.00 C +ATOM 1917 O ALA 129 30.310 26.960 28.660 1.00 0.00 O +ATOM 1918 N ALA 130 29.760 28.470 27.070 1.00 0.00 N +ATOM 1919 HN ALA 130 29.126 29.194 26.808 1.00 0.00 H +ATOM 1920 CA ALA 130 30.540 27.960 25.980 1.00 0.00 C +ATOM 1921 HA ALA 130 30.420 26.892 25.880 1.00 0.00 H +ATOM 1922 CB ALA 130 30.080 28.680 24.700 1.00 0.00 C +ATOM 1923 HB1 ALA 130 29.010 28.470 24.490 1.00 0.00 H +ATOM 1924 HB2 ALA 130 30.210 29.780 24.780 1.00 0.00 H +ATOM 1925 HB3 ALA 130 30.590 28.250 23.810 1.00 0.00 H +ATOM 1926 C ALA 130 32.050 28.200 26.190 1.00 0.00 C +ATOM 1927 O ALA 130 32.800 27.250 26.070 1.00 0.00 O +ATOM 1928 N PHE 131 32.410 29.390 26.710 1.00 0.00 N +ATOM 1929 HN PHE 131 31.778 30.144 26.550 1.00 0.00 H +ATOM 1930 CA PHE 131 33.740 29.740 27.140 1.00 0.00 C +ATOM 1931 HA PHE 131 34.448 29.332 26.432 1.00 0.00 H +ATOM 1932 CB PHE 131 33.970 31.280 27.310 1.00 0.00 C +ATOM 1933 HB1 PHE 131 33.354 31.678 28.146 1.00 0.00 H +ATOM 1934 HB2 PHE 131 35.066 31.440 27.410 1.00 0.00 H +ATOM 1935 CG PHE 131 33.380 32.130 26.170 1.00 0.00 C +ATOM 1936 CD1 PHE 131 33.350 31.640 24.920 1.00 0.00 C +ATOM 1937 HD1 PHE 131 33.888 30.742 24.650 1.00 0.00 H +ATOM 1938 CE1 PHE 131 32.660 32.320 23.880 1.00 0.00 C +ATOM 1939 HE1 PHE 131 32.690 31.902 22.884 1.00 0.00 H +ATOM 1940 CZ PHE 131 32.000 33.520 24.130 1.00 0.00 C +ATOM 1941 HZ PHE 131 31.412 34.030 23.382 1.00 0.00 H +ATOM 1942 CD2 PHE 131 32.740 33.390 26.500 1.00 0.00 C +ATOM 1943 HD2 PHE 131 32.880 33.800 27.490 1.00 0.00 H +ATOM 1944 CE2 PHE 131 32.030 34.010 25.450 1.00 0.00 C +ATOM 1945 HE2 PHE 131 31.698 35.024 25.620 1.00 0.00 H +ATOM 1946 C PHE 131 34.260 28.980 28.400 1.00 0.00 C +ATOM 1947 O PHE 131 35.430 28.580 28.480 1.00 0.00 O +ATOM 1948 N THR 132 33.380 28.880 29.360 1.00 0.00 N +ATOM 1949 HN THR 132 32.506 29.322 29.180 1.00 0.00 H +ATOM 1950 CA THR 132 33.630 28.120 30.610 1.00 0.00 C +ATOM 1951 HA THR 132 34.592 28.530 30.880 1.00 0.00 H +ATOM 1952 CB THR 132 32.570 28.270 31.690 1.00 0.00 C +ATOM 1953 HB THR 132 31.644 27.822 31.272 1.00 0.00 H +ATOM 1954 OG1 THR 132 32.310 29.610 32.060 1.00 0.00 O +ATOM 1955 HG1 THR 132 31.778 29.992 31.358 1.00 0.00 H +ATOM 1956 CG2 THR 132 32.950 27.410 32.910 1.00 0.00 C +ATOM 1957 1HG2 THR 132 33.180 26.364 32.612 1.00 0.00 H +ATOM 1958 2HG2 THR 132 33.822 27.792 33.482 1.00 0.00 H +ATOM 1959 3HG2 THR 132 32.084 27.390 33.606 1.00 0.00 H +ATOM 1960 C THR 132 33.810 26.700 30.270 1.00 0.00 C +ATOM 1961 O THR 132 34.770 26.060 30.720 1.00 0.00 O +ATOM 1962 N PHE 133 32.940 26.080 29.380 1.00 0.00 N +ATOM 1963 HN PHE 133 32.126 26.498 28.982 1.00 0.00 H +ATOM 1964 CA PHE 133 33.200 24.710 28.940 1.00 0.00 C +ATOM 1965 HA PHE 133 33.370 24.068 29.792 1.00 0.00 H +ATOM 1966 CB PHE 133 31.970 24.160 28.160 1.00 0.00 C +ATOM 1967 HB1 PHE 133 31.130 23.970 28.860 1.00 0.00 H +ATOM 1968 HB2 PHE 133 31.528 24.802 27.368 1.00 0.00 H +ATOM 1969 CG PHE 133 32.280 22.840 27.450 1.00 0.00 C +ATOM 1970 CD1 PHE 133 31.980 21.620 28.120 1.00 0.00 C +ATOM 1971 HD1 PHE 133 31.370 21.660 29.010 1.00 0.00 H +ATOM 1972 CE1 PHE 133 32.450 20.430 27.500 1.00 0.00 C +ATOM 1973 HE1 PHE 133 32.480 19.476 28.002 1.00 0.00 H +ATOM 1974 CZ PHE 133 33.070 20.490 26.290 1.00 0.00 C +ATOM 1975 HZ PHE 133 33.510 19.608 25.850 1.00 0.00 H +ATOM 1976 CD2 PHE 133 32.860 22.860 26.250 1.00 0.00 C +ATOM 1977 HD2 PHE 133 33.000 23.828 25.792 1.00 0.00 H +ATOM 1978 CE2 PHE 133 33.270 21.650 25.620 1.00 0.00 C +ATOM 1979 HE2 PHE 133 33.992 21.700 24.818 1.00 0.00 H +ATOM 1980 C PHE 133 34.530 24.580 28.270 1.00 0.00 C +ATOM 1981 O PHE 133 35.370 23.760 28.550 1.00 0.00 O +ATOM 1982 N THR 134 34.920 25.480 27.300 1.00 0.00 N +ATOM 1983 HN THR 134 34.180 26.030 26.920 1.00 0.00 H +ATOM 1984 CA THR 134 36.150 25.260 26.510 1.00 0.00 C +ATOM 1985 HA THR 134 36.140 24.260 26.100 1.00 0.00 H +ATOM 1986 CB THR 134 36.280 26.370 25.390 1.00 0.00 C +ATOM 1987 HB THR 134 36.220 27.384 25.842 1.00 0.00 H +ATOM 1988 OG1 THR 134 35.250 26.290 24.480 1.00 0.00 O +ATOM 1989 HG1 THR 134 35.170 25.366 24.232 1.00 0.00 H +ATOM 1990 CG2 THR 134 37.660 26.340 24.770 1.00 0.00 C +ATOM 1991 1HG2 THR 134 37.790 25.332 24.320 1.00 0.00 H +ATOM 1992 2HG2 THR 134 37.820 27.098 23.972 1.00 0.00 H +ATOM 1993 3HG2 THR 134 38.494 26.460 25.494 1.00 0.00 H +ATOM 1994 C THR 134 37.380 25.310 27.420 1.00 0.00 C +ATOM 1995 O THR 134 38.210 24.360 27.370 1.00 0.00 O +ATOM 1996 N ARG 135 37.410 26.360 28.300 1.00 0.00 N +ATOM 1997 HN ARG 135 36.620 26.960 28.390 1.00 0.00 H +ATOM 1998 CA ARG 135 38.550 26.610 29.260 1.00 0.00 C +ATOM 1999 HA ARG 135 39.396 26.852 28.636 1.00 0.00 H +ATOM 2000 CB ARG 135 38.030 27.900 30.040 1.00 0.00 C +ATOM 2001 HB1 ARG 135 37.800 28.642 29.248 1.00 0.00 H +ATOM 2002 HB2 ARG 135 36.994 27.740 30.408 1.00 0.00 H +ATOM 2003 CG ARG 135 38.970 28.540 31.110 1.00 0.00 C +ATOM 2004 HG1 ARG 135 39.432 27.736 31.722 1.00 0.00 H +ATOM 2005 HG2 ARG 135 39.876 28.968 30.632 1.00 0.00 H +ATOM 2006 CD ARG 135 38.140 29.370 32.040 1.00 0.00 C +ATOM 2007 HD1 ARG 135 38.816 30.028 32.628 1.00 0.00 H +ATOM 2008 HD2 ARG 135 37.472 30.098 31.532 1.00 0.00 H +ATOM 2009 NE ARG 135 37.420 28.460 33.000 1.00 0.00 N +ATOM 2010 HE ARG 135 37.620 27.480 32.960 1.00 0.00 H +ATOM 2011 CZ ARG 135 36.590 28.830 33.900 1.00 0.00 C +ATOM 2012 NH1 ARG 135 36.310 30.100 34.070 1.00 0.00 N +ATOM 2013 1HH1 ARG 135 37.058 30.708 33.800 1.00 0.00 H +ATOM 2014 2HH1 ARG 135 35.726 30.200 34.876 1.00 0.00 H +ATOM 2015 NH2 ARG 135 36.050 27.960 34.660 1.00 0.00 N +ATOM 2016 1HH2 ARG 135 36.220 27.002 34.430 1.00 0.00 H +ATOM 2017 2HH2 ARG 135 35.310 28.240 35.270 1.00 0.00 H +ATOM 2018 C ARG 135 38.850 25.360 30.190 1.00 0.00 C +ATOM 2019 O ARG 135 39.900 24.760 30.320 1.00 0.00 O +ATOM 2020 N ASP 136 37.730 24.830 30.610 1.00 0.00 N +ATOM 2021 HN ASP 136 36.844 25.218 30.370 1.00 0.00 H +ATOM 2022 CA ASP 136 37.670 23.670 31.550 1.00 0.00 C +ATOM 2023 HA ASP 136 38.494 23.882 32.214 1.00 0.00 H +ATOM 2024 CB ASP 136 36.400 23.760 32.370 1.00 0.00 C +ATOM 2025 HB1 ASP 136 35.472 23.690 31.762 1.00 0.00 H +ATOM 2026 HB2 ASP 136 36.300 22.978 33.152 1.00 0.00 H +ATOM 2027 CG ASP 136 36.370 25.010 33.280 1.00 0.00 C +ATOM 2028 OD1 ASP 136 37.380 25.760 33.470 1.00 0.00 O +ATOM 2029 OD2 ASP 136 35.420 25.100 34.080 1.00 0.00 O +ATOM 2030 C ASP 136 37.860 22.270 30.870 1.00 0.00 C +ATOM 2031 O ASP 136 38.340 21.350 31.540 1.00 0.00 O +ATOM 2032 N ARG 137 37.580 22.130 29.550 1.00 0.00 N +ATOM 2033 HN ARG 137 36.942 22.828 29.232 1.00 0.00 H +ATOM 2034 CA ARG 137 37.770 21.000 28.690 1.00 0.00 C +ATOM 2035 HA ARG 137 37.470 20.102 29.210 1.00 0.00 H +ATOM 2036 CB ARG 137 36.880 21.180 27.430 1.00 0.00 C +ATOM 2037 HB1 ARG 137 35.786 21.270 27.600 1.00 0.00 H +ATOM 2038 HB2 ARG 137 37.030 22.206 27.032 1.00 0.00 H +ATOM 2039 CG ARG 137 37.060 20.180 26.330 1.00 0.00 C +ATOM 2040 HG1 ARG 137 36.430 20.570 25.502 1.00 0.00 H +ATOM 2041 HG2 ARG 137 38.094 20.250 25.928 1.00 0.00 H +ATOM 2042 CD ARG 137 36.710 18.790 26.810 1.00 0.00 C +ATOM 2043 HD1 ARG 137 37.576 18.242 27.238 1.00 0.00 H +ATOM 2044 HD2 ARG 137 35.818 18.840 27.470 1.00 0.00 H +ATOM 2045 NE ARG 137 36.090 18.080 25.630 1.00 0.00 N +ATOM 2046 HE ARG 137 36.040 18.596 24.774 1.00 0.00 H +ATOM 2047 CZ ARG 137 36.020 16.760 25.480 1.00 0.00 C +ATOM 2048 NH1 ARG 137 36.170 15.980 26.560 1.00 0.00 N +ATOM 2049 1HH1 ARG 137 36.498 16.438 27.386 1.00 0.00 H +ATOM 2050 2HH1 ARG 137 36.160 14.986 26.460 1.00 0.00 H +ATOM 2051 NH2 ARG 137 35.760 16.110 24.400 1.00 0.00 N +ATOM 2052 1HH2 ARG 137 35.640 16.676 23.584 1.00 0.00 H +ATOM 2053 2HH2 ARG 137 36.100 15.172 24.320 1.00 0.00 H +ATOM 2054 C ARG 137 39.290 20.870 28.340 1.00 0.00 C +ATOM 2055 O ARG 137 39.730 19.830 28.010 1.00 0.00 O +ATOM 2056 N LEU 138 40.100 21.950 28.480 1.00 0.00 N +ATOM 2057 HN LEU 138 39.654 22.812 28.708 1.00 0.00 H +ATOM 2058 CA LEU 138 41.580 21.940 28.320 1.00 0.00 C +ATOM 2059 HA LEU 138 41.808 21.870 27.266 1.00 0.00 H +ATOM 2060 CB LEU 138 42.180 23.270 28.700 1.00 0.00 C +ATOM 2061 HB1 LEU 138 41.592 24.028 28.142 1.00 0.00 H +ATOM 2062 HB2 LEU 138 41.940 23.430 29.772 1.00 0.00 H +ATOM 2063 CG LEU 138 43.700 23.600 28.660 1.00 0.00 C +ATOM 2064 HG LEU 138 44.190 22.742 29.168 1.00 0.00 H +ATOM 2065 CD1 LEU 138 44.240 23.510 27.280 1.00 0.00 C +ATOM 2066 1HD1 LEU 138 44.120 22.472 26.900 1.00 0.00 H +ATOM 2067 2HD1 LEU 138 43.618 24.222 26.698 1.00 0.00 H +ATOM 2068 3HD1 LEU 138 45.272 23.902 27.160 1.00 0.00 H +ATOM 2069 CD2 LEU 138 44.150 24.940 29.280 1.00 0.00 C +ATOM 2070 1HD2 LEU 138 45.252 24.860 29.400 1.00 0.00 H +ATOM 2071 2HD2 LEU 138 44.002 25.744 28.526 1.00 0.00 H +ATOM 2072 3HD2 LEU 138 43.630 25.230 30.218 1.00 0.00 H +ATOM 2073 C LEU 138 42.350 20.770 28.980 1.00 0.00 C +ATOM 2074 O LEU 138 41.990 20.490 30.110 1.00 0.00 O +ATOM 2075 N CYS 139 43.310 20.130 28.340 1.00 0.00 N +ATOM 2076 HN CYS 139 43.570 20.300 27.392 1.00 0.00 H +ATOM 2077 CA CYS 139 43.980 19.070 29.040 1.00 0.00 C +ATOM 2078 HA CYS 139 43.790 18.990 30.100 1.00 0.00 H +ATOM 2079 CB CYS 139 43.570 17.700 28.470 1.00 0.00 C +ATOM 2080 HB1 CYS 139 42.462 17.610 28.450 1.00 0.00 H +ATOM 2081 HB2 CYS 139 43.750 17.890 27.390 1.00 0.00 H +ATOM 2082 SG CYS 139 44.380 16.140 29.130 1.00 0.00 S +ATOM 2083 HG1 CYS 139 43.858 16.180 30.346 1.00 0.00 H +ATOM 2084 C CYS 139 45.500 19.340 28.860 1.00 0.00 C +ATOM 2085 O CYS 139 46.050 19.200 27.780 1.00 0.00 O +ATOM 2086 N VAL 140 46.240 19.750 29.960 1.00 0.00 N +ATOM 2087 HN VAL 140 45.820 19.850 30.858 1.00 0.00 H +ATOM 2088 CA VAL 140 47.680 19.810 29.900 1.00 0.00 C +ATOM 2089 HA VAL 140 48.048 20.010 28.904 1.00 0.00 H +ATOM 2090 CB VAL 140 48.130 21.010 30.720 1.00 0.00 C +ATOM 2091 HB VAL 140 47.498 21.010 31.634 1.00 0.00 H +ATOM 2092 CG1 VAL 140 49.660 21.060 31.190 1.00 0.00 C +ATOM 2093 1HG1 VAL 140 49.890 21.988 31.758 1.00 0.00 H +ATOM 2094 2HG1 VAL 140 49.900 20.250 31.910 1.00 0.00 H +ATOM 2095 3HG1 VAL 140 50.304 21.050 30.286 1.00 0.00 H +ATOM 2096 CG2 VAL 140 47.820 22.310 29.970 1.00 0.00 C +ATOM 2097 1HG2 VAL 140 48.132 23.182 30.582 1.00 0.00 H +ATOM 2098 2HG2 VAL 140 48.408 22.400 29.032 1.00 0.00 H +ATOM 2099 3HG2 VAL 140 46.750 22.350 29.670 1.00 0.00 H +ATOM 2100 C VAL 140 48.200 18.430 30.420 1.00 0.00 C +ATOM 2101 O VAL 140 47.720 17.940 31.420 1.00 0.00 O +ATOM 2102 N PRO 141 49.140 17.750 29.720 1.00 0.00 N +ATOM 2103 CD PRO 141 49.700 16.580 30.290 1.00 0.00 C +ATOM 2104 HD1 PRO 141 48.970 15.770 30.510 1.00 0.00 H +ATOM 2105 HD2 PRO 141 49.990 16.850 31.328 1.00 0.00 H +ATOM 2106 CA PRO 141 50.030 18.330 28.750 1.00 0.00 C +ATOM 2107 HA PRO 141 50.080 19.408 28.790 1.00 0.00 H +ATOM 2108 CB PRO 141 51.370 17.600 29.130 1.00 0.00 C +ATOM 2109 HB1 PRO 141 52.104 17.600 28.296 1.00 0.00 H +ATOM 2110 HB2 PRO 141 51.848 18.118 29.988 1.00 0.00 H +ATOM 2111 CG PRO 141 50.980 16.230 29.560 1.00 0.00 C +ATOM 2112 HG1 PRO 141 50.700 15.570 28.710 1.00 0.00 H +ATOM 2113 HG2 PRO 141 51.700 15.690 30.210 1.00 0.00 H +ATOM 2114 C PRO 141 49.550 17.990 27.330 1.00 0.00 C +ATOM 2115 O PRO 141 50.170 18.430 26.350 1.00 0.00 O +ATOM 2116 N ARG 142 48.500 17.130 27.210 1.00 0.00 N +ATOM 2117 HN ARG 142 48.108 16.858 28.084 1.00 0.00 H +ATOM 2118 CA ARG 142 47.980 16.610 25.970 1.00 0.00 C +ATOM 2119 HA ARG 142 48.602 15.846 25.528 1.00 0.00 H +ATOM 2120 CB ARG 142 46.560 15.930 26.320 1.00 0.00 C +ATOM 2121 HB1 ARG 142 46.670 15.100 27.050 1.00 0.00 H +ATOM 2122 HB2 ARG 142 45.892 16.776 26.588 1.00 0.00 H +ATOM 2123 CG ARG 142 45.890 15.300 25.110 1.00 0.00 C +ATOM 2124 HG1 ARG 142 45.830 15.950 24.210 1.00 0.00 H +ATOM 2125 HG2 ARG 142 46.412 14.378 24.778 1.00 0.00 H +ATOM 2126 CD ARG 142 44.400 15.020 25.550 1.00 0.00 C +ATOM 2127 HD1 ARG 142 44.450 14.456 26.506 1.00 0.00 H +ATOM 2128 HD2 ARG 142 43.878 15.974 25.780 1.00 0.00 H +ATOM 2129 NE ARG 142 43.630 14.220 24.480 1.00 0.00 N +ATOM 2130 HE ARG 142 43.630 13.220 24.490 1.00 0.00 H +ATOM 2131 CZ ARG 142 42.900 14.760 23.530 1.00 0.00 C +ATOM 2132 NH1 ARG 142 42.670 16.010 23.340 1.00 0.00 N +ATOM 2133 1HH1 ARG 142 43.120 16.670 23.940 1.00 0.00 H +ATOM 2134 2HH1 ARG 142 42.034 16.342 22.644 1.00 0.00 H +ATOM 2135 NH2 ARG 142 42.390 14.000 22.610 1.00 0.00 N +ATOM 2136 1HH2 ARG 142 42.852 13.116 22.530 1.00 0.00 H +ATOM 2137 2HH2 ARG 142 42.360 14.552 21.776 1.00 0.00 H +ATOM 2138 C ARG 142 47.700 17.680 24.870 1.00 0.00 C +ATOM 2139 O ARG 142 48.260 17.630 23.790 1.00 0.00 O +ATOM 2140 N ASP 143 46.820 18.690 25.150 1.00 0.00 N +ATOM 2141 HN ASP 143 46.420 18.930 26.030 1.00 0.00 H +ATOM 2142 CA ASP 143 46.530 19.750 24.140 1.00 0.00 C +ATOM 2143 HA ASP 143 46.380 19.320 23.160 1.00 0.00 H +ATOM 2144 CB ASP 143 45.250 20.440 24.640 1.00 0.00 C +ATOM 2145 HB1 ASP 143 45.470 21.028 25.556 1.00 0.00 H +ATOM 2146 HB2 ASP 143 45.010 21.176 23.844 1.00 0.00 H +ATOM 2147 CG ASP 143 44.060 19.430 24.820 1.00 0.00 C +ATOM 2148 OD1 ASP 143 44.000 18.330 24.160 1.00 0.00 O +ATOM 2149 OD2 ASP 143 43.110 19.810 25.500 1.00 0.00 O +ATOM 2150 C ASP 143 47.710 20.730 23.940 1.00 0.00 C +ATOM 2151 O ASP 143 47.910 21.240 22.890 1.00 0.00 O +ATOM 2152 N MET 144 48.450 21.100 24.980 1.00 0.00 N +ATOM 2153 HN MET 144 48.230 20.760 25.890 1.00 0.00 H +ATOM 2154 CA MET 144 49.480 22.110 24.880 1.00 0.00 C +ATOM 2155 HA MET 144 50.246 21.852 24.164 1.00 0.00 H +ATOM 2156 CB MET 144 48.880 23.470 24.580 1.00 0.00 C +ATOM 2157 HB1 MET 144 49.674 24.234 24.710 1.00 0.00 H +ATOM 2158 HB2 MET 144 48.538 23.530 23.524 1.00 0.00 H +ATOM 2159 CG MET 144 47.750 23.950 25.450 1.00 0.00 C +ATOM 2160 HG1 MET 144 46.970 23.160 25.400 1.00 0.00 H +ATOM 2161 HG2 MET 144 48.060 23.970 26.518 1.00 0.00 H +ATOM 2162 SD MET 144 46.950 25.450 24.870 1.00 0.00 S +ATOM 2163 CE MET 144 46.100 24.880 23.390 1.00 0.00 C +ATOM 2164 HE1 MET 144 45.518 23.938 23.470 1.00 0.00 H +ATOM 2165 HE2 MET 144 45.430 25.690 23.030 1.00 0.00 H +ATOM 2166 HE3 MET 144 46.892 24.770 22.618 1.00 0.00 H +ATOM 2167 C MET 144 50.240 22.180 26.150 1.00 0.00 C +ATOM 2168 O MET 144 49.970 21.580 27.230 1.00 0.00 O +ATOM 2169 N SER 145 51.410 22.920 26.140 1.00 0.00 N +ATOM 2170 HN SER 145 51.580 23.452 25.316 1.00 0.00 H +ATOM 2171 CA SER 145 52.220 23.200 27.300 1.00 0.00 C +ATOM 2172 HA SER 145 52.390 22.212 27.700 1.00 0.00 H +ATOM 2173 CB SER 145 53.600 23.980 27.060 1.00 0.00 C +ATOM 2174 HB1 SER 145 54.102 24.202 28.026 1.00 0.00 H +ATOM 2175 HB2 SER 145 54.318 23.400 26.442 1.00 0.00 H +ATOM 2176 OG SER 145 53.350 25.240 26.400 1.00 0.00 O +ATOM 2177 HG1 SER 145 53.340 24.970 25.478 1.00 0.00 H +ATOM 2178 C SER 145 51.510 23.870 28.440 1.00 0.00 C +ATOM 2179 O SER 145 50.660 24.760 28.220 1.00 0.00 O +ATOM 2180 N SER 146 51.920 23.700 29.700 1.00 0.00 N +ATOM 2181 HN SER 146 52.606 23.014 29.928 1.00 0.00 H +ATOM 2182 CA SER 146 51.410 24.390 30.890 1.00 0.00 C +ATOM 2183 HA SER 146 50.396 24.068 31.070 1.00 0.00 H +ATOM 2184 CB SER 146 52.300 23.970 32.090 1.00 0.00 C +ATOM 2185 HB1 SER 146 51.960 24.240 33.112 1.00 0.00 H +ATOM 2186 HB2 SER 146 52.350 22.860 32.050 1.00 0.00 H +ATOM 2187 OG SER 146 53.650 24.300 31.770 1.00 0.00 O +ATOM 2188 HG1 SER 146 54.138 23.872 32.478 1.00 0.00 H +ATOM 2189 C SER 146 51.370 25.880 30.760 1.00 0.00 C +ATOM 2190 O SER 146 50.340 26.600 30.930 1.00 0.00 O +ATOM 2191 N GLN 147 52.450 26.580 30.320 1.00 0.00 N +ATOM 2192 HN GLN 147 53.272 26.090 30.040 1.00 0.00 H +ATOM 2193 CA GLN 147 52.430 27.990 30.020 1.00 0.00 C +ATOM 2194 HA GLN 147 52.110 28.490 30.922 1.00 0.00 H +ATOM 2195 CB GLN 147 53.770 28.630 29.890 1.00 0.00 C +ATOM 2196 HB1 GLN 147 54.320 28.340 28.970 1.00 0.00 H +ATOM 2197 HB2 GLN 147 53.710 29.724 29.702 1.00 0.00 H +ATOM 2198 CG GLN 147 54.700 28.320 31.050 1.00 0.00 C +ATOM 2199 HG1 GLN 147 55.058 27.272 30.950 1.00 0.00 H +ATOM 2200 HG2 GLN 147 55.562 29.022 31.070 1.00 0.00 H +ATOM 2201 CD GLN 147 54.080 28.600 32.470 1.00 0.00 C +ATOM 2202 OE1 GLN 147 53.890 29.820 32.750 1.00 0.00 O +ATOM 2203 NE2 GLN 147 53.880 27.530 33.330 1.00 0.00 N +ATOM 2204 1HE2 GLN 147 54.220 26.632 33.050 1.00 0.00 H +ATOM 2205 2HE2 GLN 147 53.560 27.640 34.270 1.00 0.00 H +ATOM 2206 C GLN 147 51.550 28.260 28.880 1.00 0.00 C +ATOM 2207 O GLN 147 50.990 29.340 28.890 1.00 0.00 O +ATOM 2208 N ALA 148 51.420 27.460 27.810 1.00 0.00 N +ATOM 2209 HN ALA 148 51.888 26.584 27.730 1.00 0.00 H +ATOM 2210 CA ALA 148 50.410 27.860 26.800 1.00 0.00 C +ATOM 2211 HA ALA 148 50.470 28.904 26.530 1.00 0.00 H +ATOM 2212 CB ALA 148 50.700 27.120 25.510 1.00 0.00 C +ATOM 2213 HB1 ALA 148 50.070 27.560 24.708 1.00 0.00 H +ATOM 2214 HB2 ALA 148 51.772 27.200 25.230 1.00 0.00 H +ATOM 2215 HB3 ALA 148 50.400 26.054 25.600 1.00 0.00 H +ATOM 2216 C ALA 148 48.990 27.550 27.270 1.00 0.00 C +ATOM 2217 O ALA 148 48.020 28.240 26.920 1.00 0.00 O +ATOM 2218 N GLY 149 48.720 26.580 28.180 1.00 0.00 N +ATOM 2219 HN GLY 149 49.500 25.990 28.380 1.00 0.00 H +ATOM 2220 CA GLY 149 47.520 26.350 28.920 1.00 0.00 C +ATOM 2221 HA1 GLY 149 46.804 26.210 28.124 1.00 0.00 H +ATOM 2222 HA2 GLY 149 47.680 25.460 29.510 1.00 0.00 H +ATOM 2223 C GLY 149 47.190 27.590 29.730 1.00 0.00 C +ATOM 2224 O GLY 149 46.040 27.980 29.630 1.00 0.00 O +ATOM 2225 N VAL 150 48.150 28.090 30.480 1.00 0.00 N +ATOM 2226 HN VAL 150 48.998 27.590 30.640 1.00 0.00 H +ATOM 2227 CA VAL 150 47.880 29.330 31.250 1.00 0.00 C +ATOM 2228 HA VAL 150 46.992 29.240 31.858 1.00 0.00 H +ATOM 2229 CB VAL 150 49.040 29.820 32.210 1.00 0.00 C +ATOM 2230 HB VAL 150 49.940 29.810 31.560 1.00 0.00 H +ATOM 2231 CG1 VAL 150 48.740 31.240 32.850 1.00 0.00 C +ATOM 2232 1HG1 VAL 150 48.720 32.088 32.132 1.00 0.00 H +ATOM 2233 2HG1 VAL 150 47.894 31.310 33.566 1.00 0.00 H +ATOM 2234 3HG1 VAL 150 49.640 31.470 33.460 1.00 0.00 H +ATOM 2235 CG2 VAL 150 49.280 28.760 33.310 1.00 0.00 C +ATOM 2236 1HG2 VAL 150 48.470 28.730 34.070 1.00 0.00 H +ATOM 2237 2HG2 VAL 150 49.330 27.714 32.942 1.00 0.00 H +ATOM 2238 3HG2 VAL 150 50.226 28.830 33.888 1.00 0.00 H +ATOM 2239 C VAL 150 47.550 30.440 30.370 1.00 0.00 C +ATOM 2240 O VAL 150 46.610 31.250 30.630 1.00 0.00 O +ATOM 2241 N GLU 151 48.280 30.680 29.200 1.00 0.00 N +ATOM 2242 HN GLU 151 49.060 30.140 28.890 1.00 0.00 H +ATOM 2243 CA GLU 151 47.950 31.760 28.260 1.00 0.00 C +ATOM 2244 HA GLU 151 47.840 32.686 28.808 1.00 0.00 H +ATOM 2245 CB GLU 151 49.040 31.960 27.140 1.00 0.00 C +ATOM 2246 HB1 GLU 151 49.320 31.020 26.620 1.00 0.00 H +ATOM 2247 HB2 GLU 151 48.628 32.632 26.358 1.00 0.00 H +ATOM 2248 CG GLU 151 50.350 32.570 27.810 1.00 0.00 C +ATOM 2249 HG1 GLU 151 50.760 32.050 28.702 1.00 0.00 H +ATOM 2250 HG2 GLU 151 50.990 32.600 26.902 1.00 0.00 H +ATOM 2251 CD GLU 151 49.980 33.930 28.270 1.00 0.00 C +ATOM 2252 OE1 GLU 151 49.210 34.670 27.620 1.00 0.00 O +ATOM 2253 OE2 GLU 151 50.470 34.390 29.380 1.00 0.00 O +ATOM 2254 C GLU 151 46.600 31.650 27.590 1.00 0.00 C +ATOM 2255 O GLU 151 45.830 32.620 27.450 1.00 0.00 O +ATOM 2256 N PHE 152 46.270 30.430 27.240 1.00 0.00 N +ATOM 2257 HN PHE 152 46.866 29.634 27.310 1.00 0.00 H +ATOM 2258 CA PHE 152 44.880 30.080 26.760 1.00 0.00 C +ATOM 2259 HA PHE 152 44.662 30.716 25.914 1.00 0.00 H +ATOM 2260 CB PHE 152 45.010 28.590 26.390 1.00 0.00 C +ATOM 2261 HB1 PHE 152 45.822 28.390 25.658 1.00 0.00 H +ATOM 2262 HB2 PHE 152 45.350 27.972 27.248 1.00 0.00 H +ATOM 2263 CG PHE 152 43.790 28.100 25.760 1.00 0.00 C +ATOM 2264 CD1 PHE 152 43.730 28.240 24.340 1.00 0.00 C +ATOM 2265 HD1 PHE 152 44.616 28.578 23.822 1.00 0.00 H +ATOM 2266 CE1 PHE 152 42.630 27.600 23.690 1.00 0.00 C +ATOM 2267 HE1 PHE 152 42.408 27.650 22.634 1.00 0.00 H +ATOM 2268 CZ PHE 152 41.620 27.010 24.410 1.00 0.00 C +ATOM 2269 HZ PHE 152 40.882 26.532 23.782 1.00 0.00 H +ATOM 2270 CD2 PHE 152 42.740 27.500 26.450 1.00 0.00 C +ATOM 2271 HD2 PHE 152 42.720 27.460 27.530 1.00 0.00 H +ATOM 2272 CE2 PHE 152 41.720 26.870 25.820 1.00 0.00 C +ATOM 2273 HE2 PHE 152 40.910 26.400 26.360 1.00 0.00 H +ATOM 2274 C PHE 152 43.740 30.320 27.750 1.00 0.00 C +ATOM 2275 O PHE 152 42.790 31.030 27.550 1.00 0.00 O +ATOM 2276 N THR 153 43.950 29.840 29.050 1.00 0.00 N +ATOM 2277 HN THR 153 44.700 29.210 29.240 1.00 0.00 H +ATOM 2278 CA THR 153 43.030 29.970 30.200 1.00 0.00 C +ATOM 2279 HA THR 153 42.140 29.430 29.910 1.00 0.00 H +ATOM 2280 CB THR 153 43.610 29.170 31.410 1.00 0.00 C +ATOM 2281 HB THR 153 44.612 29.550 31.700 1.00 0.00 H +ATOM 2282 OG1 THR 153 43.750 27.790 31.120 1.00 0.00 O +ATOM 2283 HG1 THR 153 44.520 27.750 30.550 1.00 0.00 H +ATOM 2284 CG2 THR 153 42.630 29.220 32.630 1.00 0.00 C +ATOM 2285 1HG2 THR 153 42.440 30.228 33.058 1.00 0.00 H +ATOM 2286 2HG2 THR 153 41.648 28.810 32.310 1.00 0.00 H +ATOM 2287 3HG2 THR 153 43.100 28.640 33.452 1.00 0.00 H +ATOM 2288 C THR 153 42.740 31.420 30.680 1.00 0.00 C +ATOM 2289 O THR 153 41.630 31.920 30.800 1.00 0.00 O +ATOM 2290 N SER 154 43.900 32.270 30.710 1.00 0.00 N +ATOM 2291 HN SER 154 44.782 31.900 30.430 1.00 0.00 H +ATOM 2292 CA SER 154 43.850 33.710 30.960 1.00 0.00 C +ATOM 2293 HA SER 154 43.420 33.760 31.950 1.00 0.00 H +ATOM 2294 CB SER 154 45.260 34.340 30.940 1.00 0.00 C +ATOM 2295 HB1 SER 154 45.628 34.112 29.916 1.00 0.00 H +ATOM 2296 HB2 SER 154 45.140 35.436 31.070 1.00 0.00 H +ATOM 2297 OG SER 154 46.070 33.700 31.980 1.00 0.00 O +ATOM 2298 HG1 SER 154 46.150 32.784 31.702 1.00 0.00 H +ATOM 2299 C SER 154 42.960 34.460 30.030 1.00 0.00 C +ATOM 2300 O SER 154 42.080 35.210 30.370 1.00 0.00 O +ATOM 2301 N ALA 155 43.150 34.170 28.730 1.00 0.00 N +ATOM 2302 HN ALA 155 43.854 33.506 28.492 1.00 0.00 H +ATOM 2303 CA ALA 155 42.260 34.710 27.700 1.00 0.00 C +ATOM 2304 HA ALA 155 42.290 35.776 27.862 1.00 0.00 H +ATOM 2305 CB ALA 155 42.900 34.170 26.380 1.00 0.00 C +ATOM 2306 HB1 ALA 155 44.010 34.140 26.400 1.00 0.00 H +ATOM 2307 HB2 ALA 155 42.760 33.112 26.070 1.00 0.00 H +ATOM 2308 HB3 ALA 155 42.620 34.840 25.540 1.00 0.00 H +ATOM 2309 C ALA 155 40.780 34.380 27.750 1.00 0.00 C +ATOM 2310 O ALA 155 39.940 35.270 27.700 1.00 0.00 O +ATOM 2311 N LEU 156 40.400 33.130 27.930 1.00 0.00 N +ATOM 2312 HN LEU 156 40.980 32.340 27.740 1.00 0.00 H +ATOM 2313 CA LEU 156 38.990 32.750 28.220 1.00 0.00 C +ATOM 2314 HA LEU 156 38.390 33.140 27.410 1.00 0.00 H +ATOM 2315 CB LEU 156 38.910 31.210 28.280 1.00 0.00 C +ATOM 2316 HB1 LEU 156 39.636 30.672 28.926 1.00 0.00 H +ATOM 2317 HB2 LEU 156 37.920 30.890 28.670 1.00 0.00 H +ATOM 2318 CG LEU 156 39.060 30.620 26.860 1.00 0.00 C +ATOM 2319 HG LEU 156 39.954 31.066 26.374 1.00 0.00 H +ATOM 2320 CD1 LEU 156 39.370 29.080 26.790 1.00 0.00 C +ATOM 2321 1HD1 LEU 156 38.440 28.640 27.210 1.00 0.00 H +ATOM 2322 2HD1 LEU 156 39.470 28.692 25.754 1.00 0.00 H +ATOM 2323 3HD1 LEU 156 40.200 28.850 27.490 1.00 0.00 H +ATOM 2324 CD2 LEU 156 37.870 30.830 25.950 1.00 0.00 C +ATOM 2325 1HD2 LEU 156 37.930 30.252 25.002 1.00 0.00 H +ATOM 2326 2HD2 LEU 156 36.956 30.458 26.462 1.00 0.00 H +ATOM 2327 3HD2 LEU 156 37.790 31.910 25.700 1.00 0.00 H +ATOM 2328 C LEU 156 38.420 33.440 29.450 1.00 0.00 C +ATOM 2329 O LEU 156 37.310 34.010 29.450 1.00 0.00 O +ATOM 2330 N ASP 157 39.180 33.460 30.540 1.00 0.00 N +ATOM 2331 HN ASP 157 40.112 33.110 30.590 1.00 0.00 H +ATOM 2332 CA ASP 157 38.740 34.130 31.780 1.00 0.00 C +ATOM 2333 HA ASP 157 37.734 33.828 32.032 1.00 0.00 H +ATOM 2334 CB ASP 157 39.700 34.000 32.960 1.00 0.00 C +ATOM 2335 HB1 ASP 157 40.762 34.090 32.650 1.00 0.00 H +ATOM 2336 HB2 ASP 157 39.380 34.742 33.722 1.00 0.00 H +ATOM 2337 CG ASP 157 39.560 32.710 33.720 1.00 0.00 C +ATOM 2338 OD1 ASP 157 38.390 32.130 33.790 1.00 0.00 O +ATOM 2339 OD2 ASP 157 40.470 32.300 34.450 1.00 0.00 O +ATOM 2340 C ASP 157 38.470 35.620 31.470 1.00 0.00 C +ATOM 2341 O ASP 157 37.440 36.180 31.870 1.00 0.00 O +ATOM 2342 N TYR 158 39.330 36.230 30.710 1.00 0.00 N +ATOM 2343 HN TYR 158 40.140 35.790 30.330 1.00 0.00 H +ATOM 2344 CA TYR 158 39.200 37.620 30.370 1.00 0.00 C +ATOM 2345 HA TYR 158 39.100 38.118 31.324 1.00 0.00 H +ATOM 2346 CB TYR 158 40.530 37.980 29.600 1.00 0.00 C +ATOM 2347 HB1 TYR 158 41.282 37.820 30.402 1.00 0.00 H +ATOM 2348 HB2 TYR 158 40.610 37.280 28.740 1.00 0.00 H +ATOM 2349 CG TYR 158 40.580 39.420 29.290 1.00 0.00 C +ATOM 2350 CD1 TYR 158 40.710 40.350 30.410 1.00 0.00 C +ATOM 2351 HD1 TYR 158 40.890 39.930 31.388 1.00 0.00 H +ATOM 2352 CE1 TYR 158 40.530 41.750 30.190 1.00 0.00 C +ATOM 2353 HE1 TYR 158 40.470 42.450 31.010 1.00 0.00 H +ATOM 2354 CZ TYR 158 40.290 42.180 28.890 1.00 0.00 C +ATOM 2355 OH TYR 158 39.950 43.540 28.560 1.00 0.00 O +ATOM 2356 HH TYR 158 39.900 43.670 27.610 1.00 0.00 H +ATOM 2357 CD2 TYR 158 40.250 39.900 28.050 1.00 0.00 C +ATOM 2358 HD2 TYR 158 40.160 39.258 27.186 1.00 0.00 H +ATOM 2359 CE2 TYR 158 40.060 41.270 27.860 1.00 0.00 C +ATOM 2360 HE2 TYR 158 39.940 41.570 26.830 1.00 0.00 H +ATOM 2361 C TYR 158 37.910 37.910 29.650 1.00 0.00 C +ATOM 2362 O TYR 158 37.170 38.820 29.980 1.00 0.00 O +ATOM 2363 N VAL 159 37.500 37.090 28.640 1.00 0.00 N +ATOM 2364 HN VAL 159 38.068 36.294 28.442 1.00 0.00 H +ATOM 2365 CA VAL 159 36.190 37.210 27.930 1.00 0.00 C +ATOM 2366 HA VAL 159 36.040 38.198 27.520 1.00 0.00 H +ATOM 2367 CB VAL 159 36.160 36.310 26.670 1.00 0.00 C +ATOM 2368 HB VAL 159 36.140 35.220 26.880 1.00 0.00 H +ATOM 2369 CG1 VAL 159 34.850 36.710 25.820 1.00 0.00 C +ATOM 2370 1HG1 VAL 159 34.680 37.808 25.860 1.00 0.00 H +ATOM 2371 2HG1 VAL 159 34.820 36.218 24.826 1.00 0.00 H +ATOM 2372 3HG1 VAL 159 33.984 36.288 26.374 1.00 0.00 H +ATOM 2373 CG2 VAL 159 37.480 36.650 25.820 1.00 0.00 C +ATOM 2374 1HG2 VAL 159 37.450 36.072 24.872 1.00 0.00 H +ATOM 2375 2HG2 VAL 159 37.390 37.726 25.558 1.00 0.00 H +ATOM 2376 3HG2 VAL 159 38.414 36.368 26.352 1.00 0.00 H +ATOM 2377 C VAL 159 34.990 36.900 28.900 1.00 0.00 C +ATOM 2378 O VAL 159 33.930 37.590 28.780 1.00 0.00 O +ATOM 2379 N ILE 160 35.100 35.820 29.720 1.00 0.00 N +ATOM 2380 HN ILE 160 35.988 35.366 29.720 1.00 0.00 H +ATOM 2381 CA ILE 160 34.120 35.420 30.740 1.00 0.00 C +ATOM 2382 HA ILE 160 33.160 35.290 30.260 1.00 0.00 H +ATOM 2383 CB ILE 160 34.490 34.090 31.410 1.00 0.00 C +ATOM 2384 HB ILE 160 35.522 34.160 31.816 1.00 0.00 H +ATOM 2385 CG2 ILE 160 33.540 33.830 32.560 1.00 0.00 C +ATOM 2386 1HG2 ILE 160 33.700 32.818 32.990 1.00 0.00 H +ATOM 2387 2HG2 ILE 160 33.792 34.584 33.334 1.00 0.00 H +ATOM 2388 3HG2 ILE 160 32.480 33.820 32.230 1.00 0.00 H +ATOM 2389 CG1 ILE 160 34.500 32.940 30.400 1.00 0.00 C +ATOM 2390 1HG1 ILE 160 33.420 32.710 30.270 1.00 0.00 H +ATOM 2391 2HG1 ILE 160 34.832 33.202 29.374 1.00 0.00 H +ATOM 2392 CD ILE 160 35.370 31.780 30.910 1.00 0.00 C +ATOM 2393 HD1 ILE 160 35.380 30.906 30.226 1.00 0.00 H +ATOM 2394 HD2 ILE 160 36.408 32.170 30.980 1.00 0.00 H +ATOM 2395 HD3 ILE 160 35.028 31.268 31.834 1.00 0.00 H +ATOM 2396 C ILE 160 33.810 36.560 31.750 1.00 0.00 C +ATOM 2397 O ILE 160 32.650 36.910 31.980 1.00 0.00 O +ATOM 2398 N ASN 161 34.830 37.240 32.280 1.00 0.00 N +ATOM 2399 HN ASN 161 35.758 36.978 32.028 1.00 0.00 H +ATOM 2400 CA ASN 161 34.590 38.470 33.100 1.00 0.00 C +ATOM 2401 HA ASN 161 33.942 38.140 33.898 1.00 0.00 H +ATOM 2402 CB ASN 161 35.930 38.900 33.770 1.00 0.00 C +ATOM 2403 HB1 ASN 161 36.786 38.950 33.064 1.00 0.00 H +ATOM 2404 HB2 ASN 161 35.810 39.932 34.160 1.00 0.00 H +ATOM 2405 CG ASN 161 36.300 37.900 34.790 1.00 0.00 C +ATOM 2406 OD1 ASN 161 35.900 37.980 35.970 1.00 0.00 O +ATOM 2407 ND2 ASN 161 37.010 36.810 34.460 1.00 0.00 N +ATOM 2408 1HD2 ASN 161 37.390 36.630 33.552 1.00 0.00 H +ATOM 2409 2HD2 ASN 161 37.070 36.042 35.098 1.00 0.00 H +ATOM 2410 C ASN 161 34.050 39.660 32.370 1.00 0.00 C +ATOM 2411 O ASN 161 33.340 40.480 32.940 1.00 0.00 O +ATOM 2412 N SER 162 34.150 39.700 31.050 1.00 0.00 N +ATOM 2413 HN SER 162 34.698 39.072 30.502 1.00 0.00 H +ATOM 2414 CA SER 162 33.580 40.760 30.200 1.00 0.00 C +ATOM 2415 HA SER 162 33.810 41.682 30.712 1.00 0.00 H +ATOM 2416 CB SER 162 34.380 40.900 28.880 1.00 0.00 C +ATOM 2417 HB1 SER 162 34.250 41.964 28.588 1.00 0.00 H +ATOM 2418 HB2 SER 162 35.446 40.630 29.040 1.00 0.00 H +ATOM 2419 OG SER 162 33.820 40.100 27.870 1.00 0.00 O +ATOM 2420 HG1 SER 162 33.840 39.184 28.158 1.00 0.00 H +ATOM 2421 C SER 162 32.110 40.510 30.090 1.00 0.00 C +ATOM 2422 O SER 162 31.390 41.500 29.880 1.00 0.00 O +ATOM 2423 N LEU 163 31.570 39.280 30.230 1.00 0.00 N +ATOM 2424 HN LEU 163 31.992 38.386 30.360 1.00 0.00 H +ATOM 2425 CA LEU 163 30.120 39.130 30.110 1.00 0.00 C +ATOM 2426 HA LEU 163 29.604 39.898 29.554 1.00 0.00 H +ATOM 2427 CB LEU 163 29.730 37.820 29.380 1.00 0.00 C +ATOM 2428 HB1 LEU 163 30.350 37.050 29.890 1.00 0.00 H +ATOM 2429 HB2 LEU 163 28.698 37.580 29.710 1.00 0.00 H +ATOM 2430 CG LEU 163 29.800 37.740 27.830 1.00 0.00 C +ATOM 2431 HG LEU 163 29.448 36.716 27.580 1.00 0.00 H +ATOM 2432 CD1 LEU 163 29.000 38.810 27.030 1.00 0.00 C +ATOM 2433 1HD1 LEU 163 27.938 38.840 27.350 1.00 0.00 H +ATOM 2434 2HD1 LEU 163 29.488 39.774 27.288 1.00 0.00 H +ATOM 2435 3HD1 LEU 163 29.030 38.540 25.952 1.00 0.00 H +ATOM 2436 CD2 LEU 163 31.220 37.780 27.270 1.00 0.00 C +ATOM 2437 1HD2 LEU 163 31.758 38.696 27.598 1.00 0.00 H +ATOM 2438 2HD2 LEU 163 31.832 36.976 27.732 1.00 0.00 H +ATOM 2439 3HD2 LEU 163 31.120 37.780 26.164 1.00 0.00 H +ATOM 2440 C LEU 163 29.530 39.110 31.510 1.00 0.00 C +ATOM 2441 O LEU 163 28.350 38.970 31.700 1.00 0.00 O +ATOM 2442 N CYS 164 30.290 39.260 32.600 1.00 0.00 N +ATOM 2443 HN CYS 164 31.258 39.450 32.460 1.00 0.00 H +ATOM 2444 CA CYS 164 29.780 39.300 33.970 1.00 0.00 C +ATOM 2445 HA CYS 164 28.844 38.782 34.130 1.00 0.00 H +ATOM 2446 CB CYS 164 30.720 38.500 34.900 1.00 0.00 C +ATOM 2447 HB1 CYS 164 31.780 38.820 34.990 1.00 0.00 H +ATOM 2448 HB2 CYS 164 30.378 38.500 35.956 1.00 0.00 H +ATOM 2449 SG CYS 164 30.690 36.740 34.430 1.00 0.00 S +ATOM 2450 HG1 CYS 164 31.856 36.850 33.812 1.00 0.00 H +ATOM 2451 C CYS 164 29.700 40.720 34.550 1.00 0.00 C +ATOM 2452 OT1 CYS 164 30.090 41.760 33.890 1.00 0.00 O +ATOM 2453 OT2 CYS 164 29.000 40.970 35.570 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/1bgf_A.pdb b/data/PDBs/1bgf_A.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c42078be7340048e0e08fb9dabf22c1474b09e43 --- /dev/null +++ b/data/PDBs/1bgf_A.pdb @@ -0,0 +1,2058 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water t= 0.00000 step= 0 +REMARK THIS IS A SIMULATION BOX +CRYST1 67.280 59.131 62.169 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 N GLY 1 16.860 21.560 39.620 1.00 0.00 N +ATOM 2 H1 GLY 1 16.750 21.038 38.728 1.00 0.00 H +ATOM 3 H2 GLY 1 17.682 21.048 40.000 1.00 0.00 H +ATOM 4 H3 GLY 1 16.058 21.390 40.260 1.00 0.00 H +ATOM 5 CA GLY 1 17.210 23.040 39.480 1.00 0.00 C +ATOM 6 HA1 GLY 1 16.348 23.510 39.030 1.00 0.00 H +ATOM 7 HA2 GLY 1 17.480 23.450 40.442 1.00 0.00 H +ATOM 8 C GLY 1 18.440 23.250 38.760 1.00 0.00 C +ATOM 9 O GLY 1 19.310 22.390 38.810 1.00 0.00 O +ATOM 10 N GLY 2 18.460 24.370 38.000 1.00 0.00 N +ATOM 11 HN GLY 2 17.658 24.962 37.980 1.00 0.00 H +ATOM 12 CA GLY 2 19.600 24.680 37.130 1.00 0.00 C +ATOM 13 HA1 GLY 2 19.870 23.882 36.452 1.00 0.00 H +ATOM 14 HA2 GLY 2 19.290 25.542 36.558 1.00 0.00 H +ATOM 15 C GLY 2 20.850 25.150 37.850 1.00 0.00 C +ATOM 16 O GLY 2 20.870 25.530 39.030 1.00 0.00 O +ATOM 17 N SER 3 21.960 25.220 37.060 1.00 0.00 N +ATOM 18 HN SER 3 21.860 24.698 36.216 1.00 0.00 H +ATOM 19 CA SER 3 23.220 25.910 37.240 1.00 0.00 C +ATOM 20 HA SER 3 23.772 25.498 38.072 1.00 0.00 H +ATOM 21 CB SER 3 24.040 25.810 35.900 1.00 0.00 C +ATOM 22 HB1 SER 3 25.086 26.182 35.950 1.00 0.00 H +ATOM 23 HB2 SER 3 24.190 24.712 35.810 1.00 0.00 H +ATOM 24 OG SER 3 23.280 26.420 34.830 1.00 0.00 O +ATOM 25 HG1 SER 3 23.290 25.798 34.098 1.00 0.00 H +ATOM 26 C SER 3 22.940 27.420 37.650 1.00 0.00 C +ATOM 27 O SER 3 21.870 27.980 37.630 1.00 0.00 O +ATOM 28 N GLN 4 24.060 28.150 38.010 1.00 0.00 N +ATOM 29 HN GLN 4 24.968 27.740 37.960 1.00 0.00 H +ATOM 30 CA GLN 4 23.960 29.610 38.220 1.00 0.00 C +ATOM 31 HA GLN 4 23.024 29.948 38.638 1.00 0.00 H +ATOM 32 CB GLN 4 25.030 30.020 39.200 1.00 0.00 C +ATOM 33 HB1 GLN 4 24.570 29.930 40.208 1.00 0.00 H +ATOM 34 HB2 GLN 4 25.832 29.268 39.050 1.00 0.00 H +ATOM 35 CG GLN 4 25.500 31.480 39.160 1.00 0.00 C +ATOM 36 HG1 GLN 4 25.660 31.948 38.164 1.00 0.00 H +ATOM 37 HG2 GLN 4 24.790 32.150 39.690 1.00 0.00 H +ATOM 38 CD GLN 4 26.830 31.550 39.980 1.00 0.00 C +ATOM 39 OE1 GLN 4 26.730 31.150 41.150 1.00 0.00 O +ATOM 40 NE2 GLN 4 27.890 32.010 39.350 1.00 0.00 N +ATOM 41 1HE2 GLN 4 27.780 32.398 38.434 1.00 0.00 H +ATOM 42 2HE2 GLN 4 28.662 31.950 39.982 1.00 0.00 H +ATOM 43 C GLN 4 23.960 30.350 36.910 1.00 0.00 C +ATOM 44 O GLN 4 23.140 31.260 36.750 1.00 0.00 O +ATOM 45 N TRP 5 24.600 29.770 35.830 1.00 0.00 N +ATOM 46 HN TRP 5 25.140 28.950 36.010 1.00 0.00 H +ATOM 47 CA TRP 5 24.360 30.110 34.450 1.00 0.00 C +ATOM 48 HA TRP 5 24.722 31.116 34.300 1.00 0.00 H +ATOM 49 CB TRP 5 25.340 29.330 33.510 1.00 0.00 C +ATOM 50 HB1 TRP 5 26.354 29.630 33.852 1.00 0.00 H +ATOM 51 HB2 TRP 5 25.120 28.242 33.580 1.00 0.00 H +ATOM 52 CG TRP 5 25.330 29.760 32.090 1.00 0.00 C +ATOM 53 CD1 TRP 5 24.700 29.100 31.130 1.00 0.00 C +ATOM 54 HD1 TRP 5 24.270 28.110 31.190 1.00 0.00 H +ATOM 55 NE1 TRP 5 24.790 29.750 29.880 1.00 0.00 N +ATOM 56 HE1 TRP 5 24.112 29.810 29.182 1.00 0.00 H +ATOM 57 CE2 TRP 5 25.460 30.890 30.150 1.00 0.00 C +ATOM 58 CD2 TRP 5 25.830 30.920 31.540 1.00 0.00 C +ATOM 59 CE3 TRP 5 26.430 32.000 32.080 1.00 0.00 C +ATOM 60 HE3 TRP 5 26.630 32.120 33.136 1.00 0.00 H +ATOM 61 CZ3 TRP 5 26.750 33.080 31.250 1.00 0.00 C +ATOM 62 HZ3 TRP 5 27.220 33.920 31.740 1.00 0.00 H +ATOM 63 CZ2 TRP 5 25.810 31.900 29.380 1.00 0.00 C +ATOM 64 HZ2 TRP 5 25.680 31.780 28.316 1.00 0.00 H +ATOM 65 CH2 TRP 5 26.520 32.990 29.900 1.00 0.00 C +ATOM 66 HH2 TRP 5 26.820 33.862 29.338 1.00 0.00 H +ATOM 67 C TRP 5 22.860 29.960 34.090 1.00 0.00 C +ATOM 68 O TRP 5 22.310 30.730 33.300 1.00 0.00 O +ATOM 69 N ASN 6 22.050 28.950 34.530 1.00 0.00 N +ATOM 70 HN ASN 6 22.484 28.164 34.964 1.00 0.00 H +ATOM 71 CA ASN 6 20.560 28.900 34.290 1.00 0.00 C +ATOM 72 HA ASN 6 20.430 28.890 33.218 1.00 0.00 H +ATOM 73 CB ASN 6 19.860 27.620 34.930 1.00 0.00 C +ATOM 74 HB1 ASN 6 20.448 26.722 34.640 1.00 0.00 H +ATOM 75 HB2 ASN 6 19.870 27.640 36.040 1.00 0.00 H +ATOM 76 CG ASN 6 18.490 27.460 34.310 1.00 0.00 C +ATOM 77 OD1 ASN 6 18.340 27.190 33.100 1.00 0.00 O +ATOM 78 ND2 ASN 6 17.390 27.610 35.100 1.00 0.00 N +ATOM 79 1HD2 ASN 6 17.572 27.710 36.078 1.00 0.00 H +ATOM 80 2HD2 ASN 6 16.464 27.520 34.732 1.00 0.00 H +ATOM 81 C ASN 6 19.880 30.070 34.860 1.00 0.00 C +ATOM 82 O ASN 6 19.020 30.670 34.190 1.00 0.00 O +ATOM 83 N GLN 7 20.180 30.550 36.100 1.00 0.00 N +ATOM 84 HN GLN 7 20.778 30.072 36.738 1.00 0.00 H +ATOM 85 CA GLN 7 19.510 31.750 36.660 1.00 0.00 C +ATOM 86 HA GLN 7 18.434 31.660 36.660 1.00 0.00 H +ATOM 87 CB GLN 7 20.090 31.950 38.090 1.00 0.00 C +ATOM 88 HB1 GLN 7 21.182 32.120 37.990 1.00 0.00 H +ATOM 89 HB2 GLN 7 19.652 32.906 38.448 1.00 0.00 H +ATOM 90 CG GLN 7 19.770 30.840 39.050 1.00 0.00 C +ATOM 91 HG1 GLN 7 18.680 30.660 39.160 1.00 0.00 H +ATOM 92 HG2 GLN 7 20.250 29.918 38.660 1.00 0.00 H +ATOM 93 CD GLN 7 20.340 31.050 40.470 1.00 0.00 C +ATOM 94 OE1 GLN 7 21.340 30.410 40.840 1.00 0.00 O +ATOM 95 NE2 GLN 7 19.700 31.940 41.190 1.00 0.00 N +ATOM 96 1HE2 GLN 7 18.902 32.330 40.730 1.00 0.00 H +ATOM 97 2HE2 GLN 7 19.890 32.000 42.170 1.00 0.00 H +ATOM 98 C GLN 7 19.780 33.020 35.920 1.00 0.00 C +ATOM 99 O GLN 7 18.930 33.850 35.610 1.00 0.00 O +ATOM 100 N VAL 8 21.080 33.090 35.450 1.00 0.00 N +ATOM 101 HN VAL 8 21.610 32.250 35.550 1.00 0.00 H +ATOM 102 CA VAL 8 21.650 34.210 34.690 1.00 0.00 C +ATOM 103 HA VAL 8 21.500 35.144 35.212 1.00 0.00 H +ATOM 104 CB VAL 8 23.200 34.000 34.470 1.00 0.00 C +ATOM 105 HB VAL 8 23.410 32.910 34.520 1.00 0.00 H +ATOM 106 CG1 VAL 8 23.740 34.800 33.300 1.00 0.00 C +ATOM 107 1HG1 VAL 8 24.846 34.700 33.310 1.00 0.00 H +ATOM 108 2HG1 VAL 8 23.360 34.390 32.340 1.00 0.00 H +ATOM 109 3HG1 VAL 8 23.330 35.832 33.280 1.00 0.00 H +ATOM 110 CG2 VAL 8 23.930 34.530 35.810 1.00 0.00 C +ATOM 111 1HG2 VAL 8 23.416 33.996 36.636 1.00 0.00 H +ATOM 112 2HG2 VAL 8 24.986 34.212 35.670 1.00 0.00 H +ATOM 113 3HG2 VAL 8 23.800 35.624 35.950 1.00 0.00 H +ATOM 114 C VAL 8 20.900 34.350 33.400 1.00 0.00 C +ATOM 115 O VAL 8 20.490 35.400 33.030 1.00 0.00 O +ATOM 116 N GLN 9 20.640 33.200 32.740 1.00 0.00 N +ATOM 117 HN GLN 9 21.068 32.324 32.950 1.00 0.00 H +ATOM 118 CA GLN 9 19.760 33.120 31.560 1.00 0.00 C +ATOM 119 HA GLN 9 20.120 33.860 30.860 1.00 0.00 H +ATOM 120 CB GLN 9 19.920 31.650 30.970 1.00 0.00 C +ATOM 121 HB1 GLN 9 19.960 30.950 31.830 1.00 0.00 H +ATOM 122 HB2 GLN 9 18.964 31.362 30.482 1.00 0.00 H +ATOM 123 CG GLN 9 21.110 31.570 30.040 1.00 0.00 C +ATOM 124 HG1 GLN 9 20.868 32.152 29.126 1.00 0.00 H +ATOM 125 HG2 GLN 9 22.024 31.992 30.512 1.00 0.00 H +ATOM 126 CD GLN 9 21.510 30.150 29.630 1.00 0.00 C +ATOM 127 OE1 GLN 9 22.020 30.070 28.520 1.00 0.00 O +ATOM 128 NE2 GLN 9 21.370 29.020 30.400 1.00 0.00 N +ATOM 129 1HE2 GLN 9 21.008 29.140 31.324 1.00 0.00 H +ATOM 130 2HE2 GLN 9 21.470 28.156 29.908 1.00 0.00 H +ATOM 131 C GLN 9 18.360 33.580 31.730 1.00 0.00 C +ATOM 132 O GLN 9 17.660 33.680 30.730 1.00 0.00 O +ATOM 133 N GLN 10 17.940 33.760 33.030 1.00 0.00 N +ATOM 134 HN GLN 10 18.420 33.600 33.890 1.00 0.00 H +ATOM 135 CA GLN 10 16.620 34.270 33.270 1.00 0.00 C +ATOM 136 HA GLN 10 15.930 34.090 32.460 1.00 0.00 H +ATOM 137 CB GLN 10 15.870 33.590 34.530 1.00 0.00 C +ATOM 138 HB1 GLN 10 16.494 33.832 35.416 1.00 0.00 H +ATOM 139 HB2 GLN 10 14.884 34.088 34.650 1.00 0.00 H +ATOM 140 CG GLN 10 15.840 32.040 34.520 1.00 0.00 C +ATOM 141 HG1 GLN 10 16.816 31.642 34.868 1.00 0.00 H +ATOM 142 HG2 GLN 10 15.004 31.642 35.136 1.00 0.00 H +ATOM 143 CD GLN 10 15.520 31.510 33.120 1.00 0.00 C +ATOM 144 OE1 GLN 10 14.400 31.670 32.650 1.00 0.00 O +ATOM 145 NE2 GLN 10 16.440 30.680 32.540 1.00 0.00 N +ATOM 146 1HE2 GLN 10 17.234 30.412 33.086 1.00 0.00 H +ATOM 147 2HE2 GLN 10 16.340 30.408 31.584 1.00 0.00 H +ATOM 148 C GLN 10 16.530 35.810 33.520 1.00 0.00 C +ATOM 149 O GLN 10 15.510 36.480 33.500 1.00 0.00 O +ATOM 150 N LEU 11 17.730 36.400 33.750 1.00 0.00 N +ATOM 151 HN LEU 11 18.630 35.970 33.780 1.00 0.00 H +ATOM 152 CA LEU 11 17.820 37.810 33.940 1.00 0.00 C +ATOM 153 HA LEU 11 17.328 38.162 34.834 1.00 0.00 H +ATOM 154 CB LEU 11 19.210 38.310 34.250 1.00 0.00 C +ATOM 155 HB1 LEU 11 19.900 37.900 33.480 1.00 0.00 H +ATOM 156 HB2 LEU 11 19.310 39.414 34.180 1.00 0.00 H +ATOM 157 CG LEU 11 19.660 37.700 35.570 1.00 0.00 C +ATOM 158 HG LEU 11 19.650 36.590 35.620 1.00 0.00 H +ATOM 159 CD1 LEU 11 21.180 38.050 35.750 1.00 0.00 C +ATOM 160 1HD1 LEU 11 21.724 37.256 36.304 1.00 0.00 H +ATOM 161 2HD1 LEU 11 21.610 38.280 34.752 1.00 0.00 H +ATOM 162 3HD1 LEU 11 21.340 39.078 36.140 1.00 0.00 H +ATOM 163 CD2 LEU 11 18.960 38.110 36.840 1.00 0.00 C +ATOM 164 1HD2 LEU 11 19.460 37.690 37.740 1.00 0.00 H +ATOM 165 2HD2 LEU 11 18.860 39.200 37.030 1.00 0.00 H +ATOM 166 3HD2 LEU 11 17.902 37.780 36.910 1.00 0.00 H +ATOM 167 C LEU 11 17.270 38.680 32.730 1.00 0.00 C +ATOM 168 O LEU 11 17.380 38.310 31.510 1.00 0.00 O +ATOM 169 N GLU 12 16.800 39.980 32.890 1.00 0.00 N +ATOM 170 HN GLU 12 16.640 40.342 33.804 1.00 0.00 H +ATOM 171 CA GLU 12 16.630 40.950 31.780 1.00 0.00 C +ATOM 172 HA GLU 12 15.950 40.570 31.030 1.00 0.00 H +ATOM 173 CB GLU 12 15.810 42.150 32.320 1.00 0.00 C +ATOM 174 HB1 GLU 12 16.480 42.640 33.060 1.00 0.00 H +ATOM 175 HB2 GLU 12 15.542 42.876 31.524 1.00 0.00 H +ATOM 176 CG GLU 12 14.440 41.860 33.040 1.00 0.00 C +ATOM 177 HG1 GLU 12 13.990 40.970 32.550 1.00 0.00 H +ATOM 178 HG2 GLU 12 14.560 41.502 34.086 1.00 0.00 H +ATOM 179 CD GLU 12 13.430 42.950 33.160 1.00 0.00 C +ATOM 180 OE1 GLU 12 12.290 42.770 32.700 1.00 0.00 O +ATOM 181 OE2 GLU 12 13.710 44.020 33.760 1.00 0.00 O +ATOM 182 C GLU 12 17.900 41.370 31.120 1.00 0.00 C +ATOM 183 O GLU 12 18.960 41.360 31.780 1.00 0.00 O +ATOM 184 N ILE 13 17.920 41.590 29.820 1.00 0.00 N +ATOM 185 HN ILE 13 17.078 41.840 29.348 1.00 0.00 H +ATOM 186 CA ILE 13 19.070 41.370 29.020 1.00 0.00 C +ATOM 187 HA ILE 13 19.560 40.490 29.410 1.00 0.00 H +ATOM 188 CB ILE 13 18.670 41.120 27.530 1.00 0.00 C +ATOM 189 HB ILE 13 17.848 40.378 27.620 1.00 0.00 H +ATOM 190 CG2 ILE 13 18.170 42.280 26.690 1.00 0.00 C +ATOM 191 1HG2 ILE 13 17.798 41.848 25.736 1.00 0.00 H +ATOM 192 2HG2 ILE 13 17.440 42.980 27.150 1.00 0.00 H +ATOM 193 3HG2 ILE 13 19.022 42.940 26.420 1.00 0.00 H +ATOM 194 CG1 ILE 13 19.740 40.410 26.690 1.00 0.00 C +ATOM 195 1HG1 ILE 13 19.422 40.270 25.634 1.00 0.00 H +ATOM 196 2HG1 ILE 13 20.656 41.038 26.670 1.00 0.00 H +ATOM 197 CD ILE 13 20.290 39.040 27.170 1.00 0.00 C +ATOM 198 HD1 ILE 13 21.078 38.662 26.482 1.00 0.00 H +ATOM 199 HD2 ILE 13 20.650 39.280 28.192 1.00 0.00 H +ATOM 200 HD3 ILE 13 19.380 38.410 27.060 1.00 0.00 H +ATOM 201 C ILE 13 20.210 42.450 29.200 1.00 0.00 C +ATOM 202 O ILE 13 21.340 42.200 28.870 1.00 0.00 O +ATOM 203 N LYS 14 19.900 43.620 29.730 1.00 0.00 N +ATOM 204 HN LYS 14 18.940 43.850 29.870 1.00 0.00 H +ATOM 205 CA LYS 14 20.760 44.710 30.080 1.00 0.00 C +ATOM 206 HA LYS 14 21.192 44.932 29.116 1.00 0.00 H +ATOM 207 CB LYS 14 19.860 45.910 30.590 1.00 0.00 C +ATOM 208 HB1 LYS 14 20.424 46.856 30.730 1.00 0.00 H +ATOM 209 HB2 LYS 14 19.038 46.060 29.858 1.00 0.00 H +ATOM 210 CG LYS 14 19.130 45.520 31.910 1.00 0.00 C +ATOM 211 HG1 LYS 14 18.620 44.540 31.800 1.00 0.00 H +ATOM 212 HG2 LYS 14 19.858 45.480 32.748 1.00 0.00 H +ATOM 213 CD LYS 14 17.990 46.580 32.170 1.00 0.00 C +ATOM 214 HD1 LYS 14 18.502 47.554 32.320 1.00 0.00 H +ATOM 215 HD2 LYS 14 17.296 46.780 31.326 1.00 0.00 H +ATOM 216 CE LYS 14 17.090 46.180 33.470 1.00 0.00 C +ATOM 217 HE1 LYS 14 16.340 47.000 33.440 1.00 0.00 H +ATOM 218 HE2 LYS 14 16.650 45.160 33.420 1.00 0.00 H +ATOM 219 NZ LYS 14 17.970 46.300 34.690 1.00 0.00 N +ATOM 220 HZ1 LYS 14 17.422 45.990 35.518 1.00 0.00 H +ATOM 221 HZ2 LYS 14 18.814 45.734 34.472 1.00 0.00 H +ATOM 222 HZ3 LYS 14 18.360 47.242 34.890 1.00 0.00 H +ATOM 223 C LYS 14 21.830 44.450 31.170 1.00 0.00 C +ATOM 224 O LYS 14 22.720 45.240 31.410 1.00 0.00 O +ATOM 225 N PHE 15 21.760 43.310 31.940 1.00 0.00 N +ATOM 226 HN PHE 15 20.998 42.668 31.980 1.00 0.00 H +ATOM 227 CA PHE 15 22.870 42.780 32.680 1.00 0.00 C +ATOM 228 HA PHE 15 23.150 43.628 33.288 1.00 0.00 H +ATOM 229 CB PHE 15 22.420 41.460 33.490 1.00 0.00 C +ATOM 230 HB1 PHE 15 22.980 41.490 34.450 1.00 0.00 H +ATOM 231 HB2 PHE 15 21.336 41.540 33.718 1.00 0.00 H +ATOM 232 CG PHE 15 22.760 40.030 32.920 1.00 0.00 C +ATOM 233 CD1 PHE 15 22.120 39.600 31.790 1.00 0.00 C +ATOM 234 HD1 PHE 15 21.316 40.212 31.408 1.00 0.00 H +ATOM 235 CE1 PHE 15 22.540 38.530 31.100 1.00 0.00 C +ATOM 236 HE1 PHE 15 22.010 38.380 30.170 1.00 0.00 H +ATOM 237 CZ PHE 15 23.600 37.800 31.550 1.00 0.00 C +ATOM 238 HZ PHE 15 23.920 36.978 30.928 1.00 0.00 H +ATOM 239 CD2 PHE 15 23.920 39.330 33.410 1.00 0.00 C +ATOM 240 HD2 PHE 15 24.582 39.620 34.212 1.00 0.00 H +ATOM 241 CE2 PHE 15 24.340 38.250 32.690 1.00 0.00 C +ATOM 242 HE2 PHE 15 25.194 37.754 33.128 1.00 0.00 H +ATOM 243 C PHE 15 24.090 42.560 31.720 1.00 0.00 C +ATOM 244 O PHE 15 25.220 42.740 32.040 1.00 0.00 O +ATOM 245 N LEU 16 23.820 42.090 30.490 1.00 0.00 N +ATOM 246 HN LEU 16 22.848 41.960 30.310 1.00 0.00 H +ATOM 247 CA LEU 16 24.760 41.400 29.590 1.00 0.00 C +ATOM 248 HA LEU 16 25.150 40.668 30.282 1.00 0.00 H +ATOM 249 CB LEU 16 23.960 40.620 28.480 1.00 0.00 C +ATOM 250 HB1 LEU 16 23.258 39.918 28.980 1.00 0.00 H +ATOM 251 HB2 LEU 16 23.448 41.384 27.858 1.00 0.00 H +ATOM 252 CG LEU 16 24.710 39.830 27.410 1.00 0.00 C +ATOM 253 HG LEU 16 25.364 40.412 26.726 1.00 0.00 H +ATOM 254 CD1 LEU 16 25.630 38.760 28.060 1.00 0.00 C +ATOM 255 1HD1 LEU 16 26.170 38.160 27.298 1.00 0.00 H +ATOM 256 2HD1 LEU 16 26.376 39.228 28.738 1.00 0.00 H +ATOM 257 3HD1 LEU 16 24.984 38.054 28.626 1.00 0.00 H +ATOM 258 CD2 LEU 16 23.710 39.060 26.420 1.00 0.00 C +ATOM 259 1HD2 LEU 16 23.064 38.354 26.986 1.00 0.00 H +ATOM 260 2HD2 LEU 16 23.110 39.890 25.990 1.00 0.00 H +ATOM 261 3HD2 LEU 16 24.240 38.500 25.620 1.00 0.00 H +ATOM 262 C LEU 16 25.890 42.190 29.110 1.00 0.00 C +ATOM 263 O LEU 16 26.930 41.640 28.800 1.00 0.00 O +ATOM 264 N GLU 17 25.650 43.540 29.000 1.00 0.00 N +ATOM 265 HN GLU 17 24.710 43.870 29.030 1.00 0.00 H +ATOM 266 CA GLU 17 26.710 44.460 28.780 1.00 0.00 C +ATOM 267 HA GLU 17 27.280 44.010 27.980 1.00 0.00 H +ATOM 268 CB GLU 17 26.110 45.760 28.280 1.00 0.00 C +ATOM 269 HB1 GLU 17 26.896 46.406 27.832 1.00 0.00 H +ATOM 270 HB2 GLU 17 25.522 45.500 27.374 1.00 0.00 H +ATOM 271 CG GLU 17 25.240 46.470 29.380 1.00 0.00 C +ATOM 272 HG1 GLU 17 24.354 45.824 29.560 1.00 0.00 H +ATOM 273 HG2 GLU 17 25.740 46.620 30.360 1.00 0.00 H +ATOM 274 CD GLU 17 24.650 47.790 29.060 1.00 0.00 C +ATOM 275 OE1 GLU 17 24.220 48.040 27.920 1.00 0.00 O +ATOM 276 OE2 GLU 17 24.740 48.740 29.880 1.00 0.00 O +ATOM 277 C GLU 17 27.740 44.650 29.830 1.00 0.00 C +ATOM 278 O GLU 17 28.940 44.910 29.510 1.00 0.00 O +ATOM 279 N GLN 18 27.390 44.490 31.120 1.00 0.00 N +ATOM 280 HN GLN 18 26.412 44.390 31.290 1.00 0.00 H +ATOM 281 CA GLN 18 28.160 44.620 32.260 1.00 0.00 C +ATOM 282 HA GLN 18 28.752 45.492 32.030 1.00 0.00 H +ATOM 283 CB GLN 18 27.280 44.700 33.570 1.00 0.00 C +ATOM 284 HB1 GLN 18 26.828 43.714 33.812 1.00 0.00 H +ATOM 285 HB2 GLN 18 28.042 44.870 34.362 1.00 0.00 H +ATOM 286 CG GLN 18 26.140 45.780 33.640 1.00 0.00 C +ATOM 287 HG1 GLN 18 26.530 46.818 33.710 1.00 0.00 H +ATOM 288 HG2 GLN 18 25.540 45.680 32.710 1.00 0.00 H +ATOM 289 CD GLN 18 25.240 45.540 34.880 1.00 0.00 C +ATOM 290 OE1 GLN 18 25.480 44.680 35.720 1.00 0.00 O +ATOM 291 NE2 GLN 18 24.090 46.210 34.900 1.00 0.00 N +ATOM 292 1HE2 GLN 18 23.970 47.030 34.340 1.00 0.00 H +ATOM 293 2HE2 GLN 18 23.358 45.840 35.472 1.00 0.00 H +ATOM 294 C GLN 18 29.280 43.500 32.440 1.00 0.00 C +ATOM 295 O GLN 18 30.290 43.640 33.170 1.00 0.00 O +ATOM 296 N VAL 19 28.950 42.290 31.970 1.00 0.00 N +ATOM 297 HN VAL 19 28.086 42.060 31.528 1.00 0.00 H +ATOM 298 CA VAL 19 29.860 41.160 32.140 1.00 0.00 C +ATOM 299 HA VAL 19 30.370 41.240 33.090 1.00 0.00 H +ATOM 300 CB VAL 19 29.060 39.760 32.050 1.00 0.00 C +ATOM 301 HB VAL 19 29.772 38.918 32.190 1.00 0.00 H +ATOM 302 CG1 VAL 19 27.890 39.620 33.020 1.00 0.00 C +ATOM 303 1HG1 VAL 19 27.588 38.554 33.080 1.00 0.00 H +ATOM 304 2HG1 VAL 19 28.202 39.952 34.034 1.00 0.00 H +ATOM 305 3HG1 VAL 19 26.958 40.180 32.790 1.00 0.00 H +ATOM 306 CG2 VAL 19 28.360 39.520 30.720 1.00 0.00 C +ATOM 307 1HG2 VAL 19 29.068 39.520 29.862 1.00 0.00 H +ATOM 308 2HG2 VAL 19 27.910 38.510 30.820 1.00 0.00 H +ATOM 309 3HG2 VAL 19 27.606 40.326 30.600 1.00 0.00 H +ATOM 310 C VAL 19 30.950 41.060 31.120 1.00 0.00 C +ATOM 311 O VAL 19 31.930 40.300 31.220 1.00 0.00 O +ATOM 312 N ASP 20 30.830 41.880 30.000 1.00 0.00 N +ATOM 313 HN ASP 20 30.068 42.522 29.970 1.00 0.00 H +ATOM 314 CA ASP 20 31.580 41.760 28.780 1.00 0.00 C +ATOM 315 HA ASP 20 31.430 40.778 28.358 1.00 0.00 H +ATOM 316 CB ASP 20 31.150 42.870 27.790 1.00 0.00 C +ATOM 317 HB1 ASP 20 30.048 42.870 27.650 1.00 0.00 H +ATOM 318 HB2 ASP 20 31.390 43.818 28.318 1.00 0.00 H +ATOM 319 CG ASP 20 31.750 42.900 26.400 1.00 0.00 C +ATOM 320 OD1 ASP 20 32.300 41.870 25.980 1.00 0.00 O +ATOM 321 OD2 ASP 20 31.620 43.980 25.710 1.00 0.00 O +ATOM 322 C ASP 20 33.140 41.860 29.030 1.00 0.00 C +ATOM 323 O ASP 20 33.950 41.180 28.450 1.00 0.00 O +ATOM 324 N GLN 21 33.560 42.690 29.910 1.00 0.00 N +ATOM 325 HN GLN 21 32.916 43.244 30.432 1.00 0.00 H +ATOM 326 CA GLN 21 35.000 42.970 30.060 1.00 0.00 C +ATOM 327 HA GLN 21 35.510 42.760 29.130 1.00 0.00 H +ATOM 328 CB GLN 21 35.100 44.550 30.260 1.00 0.00 C +ATOM 329 HB1 GLN 21 36.142 44.920 30.160 1.00 0.00 H +ATOM 330 HB2 GLN 21 34.488 44.800 29.368 1.00 0.00 H +ATOM 331 CG GLN 21 34.650 45.300 31.550 1.00 0.00 C +ATOM 332 HG1 GLN 21 35.400 45.290 32.370 1.00 0.00 H +ATOM 333 HG2 GLN 21 34.480 46.370 31.300 1.00 0.00 H +ATOM 334 CD GLN 21 33.450 44.750 32.250 1.00 0.00 C +ATOM 335 OE1 GLN 21 33.520 44.100 33.310 1.00 0.00 O +ATOM 336 NE2 GLN 21 32.210 44.850 31.640 1.00 0.00 N +ATOM 337 1HE2 GLN 21 32.040 45.720 31.180 1.00 0.00 H +ATOM 338 2HE2 GLN 21 31.532 44.482 32.278 1.00 0.00 H +ATOM 339 C GLN 21 35.590 42.060 31.170 1.00 0.00 C +ATOM 340 O GLN 21 36.780 42.070 31.430 1.00 0.00 O +ATOM 341 N PHE 22 34.740 41.180 31.740 1.00 0.00 N +ATOM 342 HN PHE 22 33.758 41.220 31.580 1.00 0.00 H +ATOM 343 CA PHE 22 35.300 39.950 32.400 1.00 0.00 C +ATOM 344 HA PHE 22 36.160 40.270 32.970 1.00 0.00 H +ATOM 345 CB PHE 22 34.310 39.240 33.330 1.00 0.00 C +ATOM 346 HB1 PHE 22 33.392 38.902 32.802 1.00 0.00 H +ATOM 347 HB2 PHE 22 34.680 38.268 33.720 1.00 0.00 H +ATOM 348 CG PHE 22 33.920 40.100 34.540 1.00 0.00 C +ATOM 349 CD1 PHE 22 32.880 40.960 34.490 1.00 0.00 C +ATOM 350 HD1 PHE 22 32.416 41.192 33.544 1.00 0.00 H +ATOM 351 CE1 PHE 22 32.720 41.840 35.560 1.00 0.00 C +ATOM 352 HE1 PHE 22 32.092 42.708 35.420 1.00 0.00 H +ATOM 353 CZ PHE 22 33.550 41.720 36.740 1.00 0.00 C +ATOM 354 HZ PHE 22 33.530 42.382 37.592 1.00 0.00 H +ATOM 355 CD2 PHE 22 34.750 39.970 35.680 1.00 0.00 C +ATOM 356 HD2 PHE 22 35.420 39.130 35.790 1.00 0.00 H +ATOM 357 CE2 PHE 22 34.630 40.800 36.740 1.00 0.00 C +ATOM 358 HE2 PHE 22 35.330 40.760 37.560 1.00 0.00 H +ATOM 359 C PHE 22 35.970 38.900 31.480 1.00 0.00 C +ATOM 360 O PHE 22 37.050 38.350 31.680 1.00 0.00 O +ATOM 361 N TYR 23 35.250 38.800 30.290 1.00 0.00 N +ATOM 362 HN TYR 23 34.446 39.362 30.110 1.00 0.00 H +ATOM 363 CA TYR 23 35.510 37.740 29.320 1.00 0.00 C +ATOM 364 HA TYR 23 35.690 36.810 29.840 1.00 0.00 H +ATOM 365 CB TYR 23 34.240 37.320 28.420 1.00 0.00 C +ATOM 366 HB1 TYR 23 33.830 38.268 28.010 1.00 0.00 H +ATOM 367 HB2 TYR 23 34.460 36.590 27.610 1.00 0.00 H +ATOM 368 CG TYR 23 33.160 36.620 29.260 1.00 0.00 C +ATOM 369 CD1 TYR 23 33.270 35.270 29.650 1.00 0.00 C +ATOM 370 HD1 TYR 23 34.188 34.792 29.340 1.00 0.00 H +ATOM 371 CE1 TYR 23 32.290 34.650 30.340 1.00 0.00 C +ATOM 372 HE1 TYR 23 32.420 33.640 30.700 1.00 0.00 H +ATOM 373 CZ TYR 23 31.060 35.310 30.630 1.00 0.00 C +ATOM 374 OH TYR 23 30.060 34.610 31.270 1.00 0.00 O +ATOM 375 HH TYR 23 29.658 35.152 31.952 1.00 0.00 H +ATOM 376 CD2 TYR 23 31.910 37.300 29.560 1.00 0.00 C +ATOM 377 HD2 TYR 23 31.670 38.238 29.080 1.00 0.00 H +ATOM 378 CE2 TYR 23 30.930 36.670 30.320 1.00 0.00 C +ATOM 379 HE2 TYR 23 30.046 37.152 30.712 1.00 0.00 H +ATOM 380 C TYR 23 36.670 38.090 28.360 1.00 0.00 C +ATOM 381 O TYR 23 36.700 39.220 27.810 1.00 0.00 O +ATOM 382 N ASP 24 37.620 37.220 28.060 1.00 0.00 N +ATOM 383 HN ASP 24 37.650 36.362 28.568 1.00 0.00 H +ATOM 384 CA ASP 24 38.700 37.590 27.250 1.00 0.00 C +ATOM 385 HA ASP 24 38.458 38.204 26.396 1.00 0.00 H +ATOM 386 CB ASP 24 39.720 38.610 27.890 1.00 0.00 C +ATOM 387 HB1 ASP 24 40.398 39.000 27.102 1.00 0.00 H +ATOM 388 HB2 ASP 24 39.090 39.498 28.110 1.00 0.00 H +ATOM 389 CG ASP 24 40.580 38.120 29.100 1.00 0.00 C +ATOM 390 OD1 ASP 24 40.690 36.840 29.190 1.00 0.00 O +ATOM 391 OD2 ASP 24 41.280 38.990 29.740 1.00 0.00 O +ATOM 392 C ASP 24 39.320 36.320 26.600 1.00 0.00 C +ATOM 393 O ASP 24 38.560 35.410 26.330 1.00 0.00 O +ATOM 394 N ASP 25 40.640 36.180 26.370 1.00 0.00 N +ATOM 395 HN ASP 25 41.250 36.960 26.480 1.00 0.00 H +ATOM 396 CA ASP 25 41.230 35.030 25.790 1.00 0.00 C +ATOM 397 HA ASP 25 40.550 34.490 25.150 1.00 0.00 H +ATOM 398 CB ASP 25 42.480 35.610 25.040 1.00 0.00 C +ATOM 399 HB1 ASP 25 43.070 36.390 25.570 1.00 0.00 H +ATOM 400 HB2 ASP 25 43.050 34.720 24.700 1.00 0.00 H +ATOM 401 CG ASP 25 42.020 36.300 23.770 1.00 0.00 C +ATOM 402 OD1 ASP 25 40.940 35.970 23.250 1.00 0.00 O +ATOM 403 OD2 ASP 25 42.870 37.000 23.210 1.00 0.00 O +ATOM 404 C ASP 25 41.790 34.070 26.830 1.00 0.00 C +ATOM 405 O ASP 25 42.260 32.980 26.520 1.00 0.00 O +ATOM 406 N ASN 26 41.630 34.460 28.110 1.00 0.00 N +ATOM 407 HN ASN 26 41.238 35.362 28.270 1.00 0.00 H +ATOM 408 CA ASN 26 41.790 33.590 29.270 1.00 0.00 C +ATOM 409 HA ASN 26 42.654 32.986 29.038 1.00 0.00 H +ATOM 410 CB ASN 26 42.290 34.280 30.550 1.00 0.00 C +ATOM 411 HB1 ASN 26 41.618 35.072 30.942 1.00 0.00 H +ATOM 412 HB2 ASN 26 42.380 33.482 31.318 1.00 0.00 H +ATOM 413 CG ASN 26 43.660 34.750 30.370 1.00 0.00 C +ATOM 414 OD1 ASN 26 44.710 34.170 30.650 1.00 0.00 O +ATOM 415 ND2 ASN 26 43.780 36.020 29.950 1.00 0.00 N +ATOM 416 1HD2 ASN 26 42.922 36.508 29.790 1.00 0.00 H +ATOM 417 2HD2 ASN 26 44.656 36.462 30.142 1.00 0.00 H +ATOM 418 C ASN 26 40.540 32.760 29.470 1.00 0.00 C +ATOM 419 O ASN 26 40.610 31.630 29.990 1.00 0.00 O +ATOM 420 N PHE 27 39.320 33.270 29.050 1.00 0.00 N +ATOM 421 HN PHE 27 39.360 34.142 28.568 1.00 0.00 H +ATOM 422 CA PHE 27 38.050 32.540 29.260 1.00 0.00 C +ATOM 423 HA PHE 27 38.190 31.504 28.990 1.00 0.00 H +ATOM 424 CB PHE 27 37.630 32.740 30.810 1.00 0.00 C +ATOM 425 HB1 PHE 27 38.506 32.472 31.438 1.00 0.00 H +ATOM 426 HB2 PHE 27 37.380 33.808 30.990 1.00 0.00 H +ATOM 427 CG PHE 27 36.500 31.800 31.130 1.00 0.00 C +ATOM 428 CD1 PHE 27 36.750 30.480 31.200 1.00 0.00 C +ATOM 429 HD1 PHE 27 37.766 30.162 31.020 1.00 0.00 H +ATOM 430 CE1 PHE 27 35.800 29.490 31.610 1.00 0.00 C +ATOM 431 HE1 PHE 27 36.090 28.450 31.560 1.00 0.00 H +ATOM 432 CZ PHE 27 34.560 29.980 31.950 1.00 0.00 C +ATOM 433 HZ PHE 27 33.816 29.266 32.272 1.00 0.00 H +ATOM 434 CD2 PHE 27 35.310 32.320 31.680 1.00 0.00 C +ATOM 435 HD2 PHE 27 35.070 33.370 31.760 1.00 0.00 H +ATOM 436 CE2 PHE 27 34.350 31.370 32.070 1.00 0.00 C +ATOM 437 HE2 PHE 27 33.408 31.830 32.330 1.00 0.00 H +ATOM 438 C PHE 27 37.010 33.160 28.360 1.00 0.00 C +ATOM 439 O PHE 27 36.680 34.390 28.530 1.00 0.00 O +ATOM 440 N PRO 28 36.540 32.600 27.290 1.00 0.00 N +ATOM 441 CD PRO 28 37.180 31.430 26.670 1.00 0.00 C +ATOM 442 HD1 PRO 28 37.100 30.580 27.380 1.00 0.00 H +ATOM 443 HD2 PRO 28 38.276 31.602 26.700 1.00 0.00 H +ATOM 444 CA PRO 28 35.500 33.090 26.470 1.00 0.00 C +ATOM 445 HA PRO 28 35.430 34.168 26.460 1.00 0.00 H +ATOM 446 CB PRO 28 35.920 32.590 25.110 1.00 0.00 C +ATOM 447 HB1 PRO 28 35.114 32.610 24.344 1.00 0.00 H +ATOM 448 HB2 PRO 28 36.756 33.206 24.712 1.00 0.00 H +ATOM 449 CG PRO 28 36.450 31.150 25.420 1.00 0.00 C +ATOM 450 HG1 PRO 28 35.576 30.498 25.630 1.00 0.00 H +ATOM 451 HG2 PRO 28 37.012 30.778 24.536 1.00 0.00 H +ATOM 452 C PRO 28 34.150 32.520 26.920 1.00 0.00 C +ATOM 453 O PRO 28 34.040 31.540 27.610 1.00 0.00 O +ATOM 454 N MET 29 33.080 33.160 26.490 1.00 0.00 N +ATOM 455 HN MET 29 33.230 33.986 25.952 1.00 0.00 H +ATOM 456 CA MET 29 31.710 32.840 26.920 1.00 0.00 C +ATOM 457 HA MET 29 31.850 32.668 27.976 1.00 0.00 H +ATOM 458 CB MET 29 30.740 34.080 26.650 1.00 0.00 C +ATOM 459 HB1 MET 29 31.010 34.956 27.278 1.00 0.00 H +ATOM 460 HB2 MET 29 30.950 34.410 25.610 1.00 0.00 H +ATOM 461 CG MET 29 29.230 33.810 26.700 1.00 0.00 C +ATOM 462 HG1 MET 29 28.990 32.990 25.990 1.00 0.00 H +ATOM 463 HG2 MET 29 28.980 33.510 27.740 1.00 0.00 H +ATOM 464 SD MET 29 28.270 35.170 26.140 1.00 0.00 S +ATOM 465 CE MET 29 28.600 36.300 27.570 1.00 0.00 C +ATOM 466 HE1 MET 29 28.242 37.324 27.332 1.00 0.00 H +ATOM 467 HE2 MET 29 28.170 35.920 28.520 1.00 0.00 H +ATOM 468 HE3 MET 29 29.670 36.470 27.820 1.00 0.00 H +ATOM 469 C MET 29 31.140 31.510 26.510 1.00 0.00 C +ATOM 470 O MET 29 30.410 30.930 27.270 1.00 0.00 O +ATOM 471 N GLU 30 31.500 30.990 25.330 1.00 0.00 N +ATOM 472 HN GLU 30 31.920 31.640 24.700 1.00 0.00 H +ATOM 473 CA GLU 30 31.240 29.570 24.820 1.00 0.00 C +ATOM 474 HA GLU 30 30.180 29.570 24.610 1.00 0.00 H +ATOM 475 CB GLU 30 32.140 29.260 23.550 1.00 0.00 C +ATOM 476 HB1 GLU 30 33.192 29.580 23.710 1.00 0.00 H +ATOM 477 HB2 GLU 30 32.200 28.168 23.360 1.00 0.00 H +ATOM 478 CG GLU 30 31.720 29.970 22.220 1.00 0.00 C +ATOM 479 HG1 GLU 30 31.840 29.352 21.304 1.00 0.00 H +ATOM 480 HG2 GLU 30 30.674 30.298 22.400 1.00 0.00 H +ATOM 481 CD GLU 30 32.430 31.270 21.950 1.00 0.00 C +ATOM 482 OE1 GLU 30 32.350 32.160 22.840 1.00 0.00 O +ATOM 483 OE2 GLU 30 33.010 31.430 20.830 1.00 0.00 O +ATOM 484 C GLU 30 31.600 28.490 25.800 1.00 0.00 C +ATOM 485 O GLU 30 30.750 27.650 26.180 1.00 0.00 O +ATOM 486 N ILE 31 32.790 28.630 26.430 1.00 0.00 N +ATOM 487 HN ILE 31 33.238 29.508 26.280 1.00 0.00 H +ATOM 488 CA ILE 31 33.300 27.700 27.520 1.00 0.00 C +ATOM 489 HA ILE 31 33.220 26.664 27.222 1.00 0.00 H +ATOM 490 CB ILE 31 34.780 28.020 27.910 1.00 0.00 C +ATOM 491 HB ILE 31 34.840 29.120 28.060 1.00 0.00 H +ATOM 492 CG2 ILE 31 35.370 27.080 28.980 1.00 0.00 C +ATOM 493 1HG2 ILE 31 36.438 27.350 29.120 1.00 0.00 H +ATOM 494 2HG2 ILE 31 34.932 27.190 29.996 1.00 0.00 H +ATOM 495 3HG2 ILE 31 35.280 25.982 28.840 1.00 0.00 H +ATOM 496 CG1 ILE 31 35.620 27.780 26.550 1.00 0.00 C +ATOM 497 1HG1 ILE 31 35.310 28.568 25.832 1.00 0.00 H +ATOM 498 2HG1 ILE 31 36.678 27.940 26.850 1.00 0.00 H +ATOM 499 CD ILE 31 35.470 26.350 25.950 1.00 0.00 C +ATOM 500 HD1 ILE 31 34.452 26.220 25.522 1.00 0.00 H +ATOM 501 HD2 ILE 31 36.248 26.270 25.162 1.00 0.00 H +ATOM 502 HD3 ILE 31 35.640 25.526 26.674 1.00 0.00 H +ATOM 503 C ILE 31 32.500 27.910 28.810 1.00 0.00 C +ATOM 504 O ILE 31 32.300 26.950 29.580 1.00 0.00 O +ATOM 505 N ARG 32 32.010 29.100 29.160 1.00 0.00 N +ATOM 506 HN ARG 32 32.190 29.832 28.508 1.00 0.00 H +ATOM 507 CA ARG 32 31.130 29.310 30.280 1.00 0.00 C +ATOM 508 HA ARG 32 31.578 28.792 31.116 1.00 0.00 H +ATOM 509 CB ARG 32 31.040 30.800 30.640 1.00 0.00 C +ATOM 510 HB1 ARG 32 32.136 30.940 30.760 1.00 0.00 H +ATOM 511 HB2 ARG 32 30.580 31.312 29.768 1.00 0.00 H +ATOM 512 CG ARG 32 30.190 31.170 31.770 1.00 0.00 C +ATOM 513 HG1 ARG 32 30.110 32.278 31.790 1.00 0.00 H +ATOM 514 HG2 ARG 32 29.138 30.840 31.630 1.00 0.00 H +ATOM 515 CD ARG 32 30.740 30.660 33.120 1.00 0.00 C +ATOM 516 HD1 ARG 32 31.130 29.628 32.990 1.00 0.00 H +ATOM 517 HD2 ARG 32 31.634 31.252 33.412 1.00 0.00 H +ATOM 518 NE ARG 32 29.650 30.920 34.100 1.00 0.00 N +ATOM 519 HE ARG 32 29.240 31.798 34.350 1.00 0.00 H +ATOM 520 CZ ARG 32 29.050 29.870 34.720 1.00 0.00 C +ATOM 521 NH1 ARG 32 29.070 28.620 34.270 1.00 0.00 N +ATOM 522 1HH1 ARG 32 29.398 28.490 33.334 1.00 0.00 H +ATOM 523 2HH1 ARG 32 28.580 28.020 34.900 1.00 0.00 H +ATOM 524 NH2 ARG 32 28.370 30.130 35.800 1.00 0.00 N +ATOM 525 1HH2 ARG 32 28.150 31.084 36.000 1.00 0.00 H +ATOM 526 2HH2 ARG 32 27.814 29.434 36.256 1.00 0.00 H +ATOM 527 C ARG 32 29.780 28.770 30.110 1.00 0.00 C +ATOM 528 O ARG 32 29.200 28.260 31.080 1.00 0.00 O +ATOM 529 N HIS 33 29.170 28.790 28.900 1.00 0.00 N +ATOM 530 HN HIS 33 29.596 29.354 28.196 1.00 0.00 H +ATOM 531 CA HIS 33 27.930 28.210 28.520 1.00 0.00 C +ATOM 532 HA HIS 33 27.190 28.440 29.272 1.00 0.00 H +ATOM 533 CB HIS 33 27.530 28.670 27.130 1.00 0.00 C +ATOM 534 HB1 HIS 33 27.470 29.780 27.150 1.00 0.00 H +ATOM 535 HB2 HIS 33 28.340 28.460 26.400 1.00 0.00 H +ATOM 536 ND1 HIS 33 25.830 27.100 26.110 1.00 0.00 N +ATOM 537 CG HIS 33 26.160 28.370 26.580 1.00 0.00 C +ATOM 538 CE1 HIS 33 24.620 27.180 25.570 1.00 0.00 C +ATOM 539 HE1 HIS 33 24.058 26.418 25.028 1.00 0.00 H +ATOM 540 NE2 HIS 33 24.150 28.450 25.640 1.00 0.00 N +ATOM 541 HE2 HIS 33 23.430 28.800 25.040 1.00 0.00 H +ATOM 542 CD2 HIS 33 25.030 29.220 26.300 1.00 0.00 C +ATOM 543 HD2 HIS 33 24.980 30.302 26.330 1.00 0.00 H +ATOM 544 C HIS 33 27.900 26.680 28.470 1.00 0.00 C +ATOM 545 O HIS 33 27.200 25.950 29.200 1.00 0.00 O +ATOM 546 N LEU 34 28.740 26.160 27.470 1.00 0.00 N +ATOM 547 HN LEU 34 29.460 26.740 27.100 1.00 0.00 H +ATOM 548 CA LEU 34 28.660 24.760 27.010 1.00 0.00 C +ATOM 549 HA LEU 34 27.652 24.508 26.718 1.00 0.00 H +ATOM 550 CB LEU 34 29.440 24.530 25.790 1.00 0.00 C +ATOM 551 HB1 LEU 34 30.484 24.840 26.010 1.00 0.00 H +ATOM 552 HB2 LEU 34 29.490 23.472 25.450 1.00 0.00 H +ATOM 553 CG LEU 34 28.860 25.320 24.600 1.00 0.00 C +ATOM 554 HG LEU 34 28.368 26.274 24.882 1.00 0.00 H +ATOM 555 CD1 LEU 34 29.980 25.460 23.590 1.00 0.00 C +ATOM 556 1HD1 LEU 34 30.240 24.418 23.310 1.00 0.00 H +ATOM 557 2HD1 LEU 34 29.720 26.070 22.700 1.00 0.00 H +ATOM 558 3HD1 LEU 34 30.958 25.720 24.050 1.00 0.00 H +ATOM 559 CD2 LEU 34 27.610 24.540 24.020 1.00 0.00 C +ATOM 560 1HD2 LEU 34 27.982 23.586 23.588 1.00 0.00 H +ATOM 561 2HD2 LEU 34 26.794 24.332 24.746 1.00 0.00 H +ATOM 562 3HD2 LEU 34 27.200 25.240 23.260 1.00 0.00 H +ATOM 563 C LEU 34 28.980 23.720 28.030 1.00 0.00 C +ATOM 564 O LEU 34 28.640 22.520 27.930 1.00 0.00 O +ATOM 565 N LEU 35 29.750 24.200 29.020 1.00 0.00 N +ATOM 566 HN LEU 35 29.830 25.192 28.970 1.00 0.00 H +ATOM 567 CA LEU 35 30.230 23.420 30.100 1.00 0.00 C +ATOM 568 HA LEU 35 29.600 22.550 30.210 1.00 0.00 H +ATOM 569 CB LEU 35 31.730 23.150 29.880 1.00 0.00 C +ATOM 570 HB1 LEU 35 32.040 24.098 29.390 1.00 0.00 H +ATOM 571 HB2 LEU 35 32.330 22.980 30.800 1.00 0.00 H +ATOM 572 CG LEU 35 32.020 21.900 28.980 1.00 0.00 C +ATOM 573 HG LEU 35 31.330 21.910 28.110 1.00 0.00 H +ATOM 574 CD1 LEU 35 33.430 22.040 28.440 1.00 0.00 C +ATOM 575 1HD1 LEU 35 33.680 21.182 27.782 1.00 0.00 H +ATOM 576 2HD1 LEU 35 33.640 23.038 28.000 1.00 0.00 H +ATOM 577 3HD1 LEU 35 34.036 22.040 29.372 1.00 0.00 H +ATOM 578 CD2 LEU 35 31.860 20.630 29.790 1.00 0.00 C +ATOM 579 1HD2 LEU 35 31.900 19.706 29.176 1.00 0.00 H +ATOM 580 2HD2 LEU 35 32.752 20.610 30.452 1.00 0.00 H +ATOM 581 3HD2 LEU 35 30.890 20.740 30.320 1.00 0.00 H +ATOM 582 C LEU 35 30.000 24.220 31.340 1.00 0.00 C +ATOM 583 O LEU 35 30.790 24.220 32.330 1.00 0.00 O +ATOM 584 N ALA 36 28.790 24.790 31.440 1.00 0.00 N +ATOM 585 HN ALA 36 28.168 25.052 30.706 1.00 0.00 H +ATOM 586 CA ALA 36 28.470 25.540 32.630 1.00 0.00 C +ATOM 587 HA ALA 36 29.228 26.298 32.770 1.00 0.00 H +ATOM 588 CB ALA 36 27.080 26.290 32.620 1.00 0.00 C +ATOM 589 HB1 ALA 36 27.040 26.888 31.684 1.00 0.00 H +ATOM 590 HB2 ALA 36 26.190 25.630 32.560 1.00 0.00 H +ATOM 591 HB3 ALA 36 26.910 26.970 33.482 1.00 0.00 H +ATOM 592 C ALA 36 28.440 24.830 34.000 1.00 0.00 C +ATOM 593 O ALA 36 29.150 25.240 34.970 1.00 0.00 O +ATOM 594 N GLN 37 27.840 23.680 34.220 1.00 0.00 N +ATOM 595 HN GLN 37 27.362 23.322 33.422 1.00 0.00 H +ATOM 596 CA GLN 37 27.890 22.890 35.390 1.00 0.00 C +ATOM 597 HA GLN 37 27.370 23.340 36.222 1.00 0.00 H +ATOM 598 CB GLN 37 27.110 21.550 35.020 1.00 0.00 C +ATOM 599 HB1 GLN 37 27.742 21.130 34.208 1.00 0.00 H +ATOM 600 HB2 GLN 37 27.220 20.798 35.832 1.00 0.00 H +ATOM 601 CG GLN 37 25.620 21.760 34.570 1.00 0.00 C +ATOM 602 HG1 GLN 37 25.130 22.390 35.342 1.00 0.00 H +ATOM 603 HG2 GLN 37 25.590 22.228 33.562 1.00 0.00 H +ATOM 604 CD GLN 37 24.870 20.400 34.680 1.00 0.00 C +ATOM 605 OE1 GLN 37 24.350 19.760 33.760 1.00 0.00 O +ATOM 606 NE2 GLN 37 24.650 20.020 35.960 1.00 0.00 N +ATOM 607 1HE2 GLN 37 24.942 20.564 36.746 1.00 0.00 H +ATOM 608 2HE2 GLN 37 24.104 19.186 36.050 1.00 0.00 H +ATOM 609 C GLN 37 29.320 22.530 35.940 1.00 0.00 C +ATOM 610 O GLN 37 29.530 22.600 37.110 1.00 0.00 O +ATOM 611 N TRP 38 30.260 22.140 35.080 1.00 0.00 N +ATOM 612 HN TRP 38 29.990 21.910 34.148 1.00 0.00 H +ATOM 613 CA TRP 38 31.660 21.880 35.500 1.00 0.00 C +ATOM 614 HA TRP 38 31.640 21.180 36.322 1.00 0.00 H +ATOM 615 CB TRP 38 32.350 21.150 34.250 1.00 0.00 C +ATOM 616 HB1 TRP 38 31.640 20.320 34.040 1.00 0.00 H +ATOM 617 HB2 TRP 38 32.360 21.830 33.370 1.00 0.00 H +ATOM 618 CG TRP 38 33.720 20.580 34.490 1.00 0.00 C +ATOM 619 CD1 TRP 38 34.100 19.330 34.860 1.00 0.00 C +ATOM 620 HD1 TRP 38 33.408 18.568 35.190 1.00 0.00 H +ATOM 621 NE1 TRP 38 35.460 19.310 35.030 1.00 0.00 N +ATOM 622 HE1 TRP 38 36.100 18.590 34.870 1.00 0.00 H +ATOM 623 CE2 TRP 38 36.000 20.520 34.740 1.00 0.00 C +ATOM 624 CD2 TRP 38 34.910 21.410 34.420 1.00 0.00 C +ATOM 625 CE3 TRP 38 35.100 22.740 34.050 1.00 0.00 C +ATOM 626 HE3 TRP 38 34.222 23.258 33.692 1.00 0.00 H +ATOM 627 CZ3 TRP 38 36.430 23.160 34.030 1.00 0.00 C +ATOM 628 HZ3 TRP 38 36.640 24.214 33.930 1.00 0.00 H +ATOM 629 CZ2 TRP 38 37.280 20.990 34.750 1.00 0.00 C +ATOM 630 HZ2 TRP 38 38.130 20.350 34.940 1.00 0.00 H +ATOM 631 CH2 TRP 38 37.460 22.300 34.430 1.00 0.00 C +ATOM 632 HH2 TRP 38 38.466 22.672 34.540 1.00 0.00 H +ATOM 633 C TRP 38 32.510 23.110 35.910 1.00 0.00 C +ATOM 634 O TRP 38 33.260 23.180 36.900 1.00 0.00 O +ATOM 635 N ILE 39 32.240 24.250 35.220 1.00 0.00 N +ATOM 636 HN ILE 39 31.594 24.340 34.466 1.00 0.00 H +ATOM 637 CA ILE 39 32.880 25.490 35.730 1.00 0.00 C +ATOM 638 HA ILE 39 33.946 25.330 35.770 1.00 0.00 H +ATOM 639 CB ILE 39 32.560 26.700 34.840 1.00 0.00 C +ATOM 640 HB ILE 39 31.522 26.550 34.470 1.00 0.00 H +ATOM 641 CG2 ILE 39 32.780 28.040 35.500 1.00 0.00 C +ATOM 642 1HG2 ILE 39 32.084 28.268 36.336 1.00 0.00 H +ATOM 643 2HG2 ILE 39 33.804 28.060 35.932 1.00 0.00 H +ATOM 644 3HG2 ILE 39 32.630 28.930 34.850 1.00 0.00 H +ATOM 645 CG1 ILE 39 33.180 26.570 33.430 1.00 0.00 C +ATOM 646 1HG1 ILE 39 32.810 25.690 32.860 1.00 0.00 H +ATOM 647 2HG1 ILE 39 32.690 27.350 32.810 1.00 0.00 H +ATOM 648 CD ILE 39 34.680 26.630 33.410 1.00 0.00 C +ATOM 649 HD1 ILE 39 35.132 26.348 32.436 1.00 0.00 H +ATOM 650 HD2 ILE 39 35.020 27.680 33.530 1.00 0.00 H +ATOM 651 HD3 ILE 39 35.208 26.002 34.158 1.00 0.00 H +ATOM 652 C ILE 39 32.400 25.850 37.130 1.00 0.00 C +ATOM 653 O ILE 39 33.120 26.250 38.090 1.00 0.00 O +ATOM 654 N GLU 40 31.090 25.640 37.410 1.00 0.00 N +ATOM 655 HN GLU 40 30.374 25.478 36.736 1.00 0.00 H +ATOM 656 CA GLU 40 30.510 25.960 38.710 1.00 0.00 C +ATOM 657 HA GLU 40 30.800 26.980 38.920 1.00 0.00 H +ATOM 658 CB GLU 40 28.950 26.050 38.550 1.00 0.00 C +ATOM 659 HB1 GLU 40 28.580 25.148 38.018 1.00 0.00 H +ATOM 660 HB2 GLU 40 28.460 26.190 39.538 1.00 0.00 H +ATOM 661 CG GLU 40 28.620 27.200 37.680 1.00 0.00 C +ATOM 662 HG1 GLU 40 28.970 28.132 38.172 1.00 0.00 H +ATOM 663 HG2 GLU 40 29.068 27.180 36.664 1.00 0.00 H +ATOM 664 CD GLU 40 27.100 27.330 37.480 1.00 0.00 C +ATOM 665 OE1 GLU 40 26.370 26.710 38.220 1.00 0.00 O +ATOM 666 OE2 GLU 40 26.680 28.100 36.630 1.00 0.00 O +ATOM 667 C GLU 40 30.910 24.940 39.750 1.00 0.00 C +ATOM 668 O GLU 40 30.780 25.130 40.900 1.00 0.00 O +ATOM 669 N THR 41 31.350 23.690 39.340 1.00 0.00 N +ATOM 670 HN THR 41 31.330 23.500 38.362 1.00 0.00 H +ATOM 671 CA THR 41 31.900 22.620 40.090 1.00 0.00 C +ATOM 672 HA THR 41 31.298 22.530 40.982 1.00 0.00 H +ATOM 673 CB THR 41 31.750 21.230 39.390 1.00 0.00 C +ATOM 674 HB THR 41 32.440 21.220 38.520 1.00 0.00 H +ATOM 675 OG1 THR 41 30.430 20.880 39.010 1.00 0.00 O +ATOM 676 HG1 THR 41 30.030 21.400 38.310 1.00 0.00 H +ATOM 677 CG2 THR 41 32.170 20.060 40.290 1.00 0.00 C +ATOM 678 1HG2 THR 41 31.638 20.220 41.252 1.00 0.00 H +ATOM 679 2HG2 THR 41 31.778 19.106 39.878 1.00 0.00 H +ATOM 680 3HG2 THR 41 33.272 19.950 40.380 1.00 0.00 H +ATOM 681 C THR 41 33.240 22.850 40.670 1.00 0.00 C +ATOM 682 O THR 41 33.450 22.840 41.890 1.00 0.00 O +ATOM 683 N GLN 42 34.210 23.400 39.870 1.00 0.00 N +ATOM 684 HN GLN 42 33.930 23.630 38.940 1.00 0.00 H +ATOM 685 CA GLN 42 35.550 23.430 40.240 1.00 0.00 C +ATOM 686 HA GLN 42 35.750 22.492 40.738 1.00 0.00 H +ATOM 687 CB GLN 42 36.610 23.610 39.130 1.00 0.00 C +ATOM 688 HB1 GLN 42 36.590 24.688 38.860 1.00 0.00 H +ATOM 689 HB2 GLN 42 37.634 23.490 39.548 1.00 0.00 H +ATOM 690 CG GLN 42 36.500 22.620 37.920 1.00 0.00 C +ATOM 691 HG1 GLN 42 35.590 22.880 37.340 1.00 0.00 H +ATOM 692 HG2 GLN 42 37.404 22.650 37.276 1.00 0.00 H +ATOM 693 CD GLN 42 36.260 21.100 38.340 1.00 0.00 C +ATOM 694 OE1 GLN 42 37.140 20.440 38.870 1.00 0.00 O +ATOM 695 NE2 GLN 42 35.100 20.560 37.860 1.00 0.00 N +ATOM 696 1HE2 GLN 42 34.460 21.040 37.260 1.00 0.00 H +ATOM 697 2HE2 GLN 42 35.030 19.574 38.010 1.00 0.00 H +ATOM 698 C GLN 42 35.840 24.560 41.290 1.00 0.00 C +ATOM 699 O GLN 42 35.090 25.480 41.470 1.00 0.00 O +ATOM 700 N ASP 43 36.930 24.390 42.150 1.00 0.00 N +ATOM 701 HN ASP 43 37.490 23.568 42.080 1.00 0.00 H +ATOM 702 CA ASP 43 37.510 25.370 43.020 1.00 0.00 C +ATOM 703 HA ASP 43 36.754 26.048 43.388 1.00 0.00 H +ATOM 704 CB ASP 43 38.050 24.560 44.220 1.00 0.00 C +ATOM 705 HB1 ASP 43 37.356 23.718 44.428 1.00 0.00 H +ATOM 706 HB2 ASP 43 39.078 24.250 43.930 1.00 0.00 H +ATOM 707 CG ASP 43 38.140 25.450 45.480 1.00 0.00 C +ATOM 708 OD1 ASP 43 37.730 26.610 45.490 1.00 0.00 O +ATOM 709 OD2 ASP 43 38.700 24.910 46.510 1.00 0.00 O +ATOM 710 C ASP 43 38.590 26.270 42.340 1.00 0.00 C +ATOM 711 O ASP 43 39.810 26.060 42.360 1.00 0.00 O +ATOM 712 N TRP 44 38.140 27.340 41.590 1.00 0.00 N +ATOM 713 HN TRP 44 37.148 27.240 41.550 1.00 0.00 H +ATOM 714 CA TRP 44 38.870 28.380 40.900 1.00 0.00 C +ATOM 715 HA TRP 44 39.604 27.878 40.288 1.00 0.00 H +ATOM 716 CB TRP 44 37.960 29.170 39.920 1.00 0.00 C +ATOM 717 HB1 TRP 44 37.080 29.620 40.430 1.00 0.00 H +ATOM 718 HB2 TRP 44 38.650 29.820 39.340 1.00 0.00 H +ATOM 719 CG TRP 44 37.410 28.310 38.910 1.00 0.00 C +ATOM 720 CD1 TRP 44 36.060 27.930 38.880 1.00 0.00 C +ATOM 721 HD1 TRP 44 35.280 28.280 39.540 1.00 0.00 H +ATOM 722 NE1 TRP 44 35.930 26.890 38.000 1.00 0.00 N +ATOM 723 HE1 TRP 44 35.034 26.502 37.970 1.00 0.00 H +ATOM 724 CE2 TRP 44 37.090 26.680 37.350 1.00 0.00 C +ATOM 725 CD2 TRP 44 38.100 27.480 37.920 1.00 0.00 C +ATOM 726 CE3 TRP 44 39.350 27.420 37.470 1.00 0.00 C +ATOM 727 HE3 TRP 44 40.020 28.110 37.960 1.00 0.00 H +ATOM 728 CZ3 TRP 44 39.650 26.620 36.410 1.00 0.00 C +ATOM 729 HZ3 TRP 44 40.634 26.560 35.968 1.00 0.00 H +ATOM 730 CZ2 TRP 44 37.390 25.770 36.320 1.00 0.00 C +ATOM 731 HZ2 TRP 44 36.672 25.072 35.912 1.00 0.00 H +ATOM 732 CH2 TRP 44 38.680 25.840 35.900 1.00 0.00 C +ATOM 733 HH2 TRP 44 39.118 25.162 35.182 1.00 0.00 H +ATOM 734 C TRP 44 39.530 29.310 41.870 1.00 0.00 C +ATOM 735 O TRP 44 40.720 29.550 41.650 1.00 0.00 O +ATOM 736 N GLU 45 38.840 29.580 42.990 1.00 0.00 N +ATOM 737 HN GLU 45 37.848 29.530 42.900 1.00 0.00 H +ATOM 738 CA GLU 45 39.270 30.540 44.020 1.00 0.00 C +ATOM 739 HA GLU 45 39.552 31.404 43.438 1.00 0.00 H +ATOM 740 CB GLU 45 38.180 30.960 44.960 1.00 0.00 C +ATOM 741 HB1 GLU 45 37.790 30.090 45.530 1.00 0.00 H +ATOM 742 HB2 GLU 45 38.662 31.642 45.692 1.00 0.00 H +ATOM 743 CG GLU 45 37.020 31.890 44.450 1.00 0.00 C +ATOM 744 HG1 GLU 45 36.670 32.590 45.240 1.00 0.00 H +ATOM 745 HG2 GLU 45 37.472 32.452 43.606 1.00 0.00 H +ATOM 746 CD GLU 45 35.870 31.130 43.960 1.00 0.00 C +ATOM 747 OE1 GLU 45 35.160 30.520 44.820 1.00 0.00 O +ATOM 748 OE2 GLU 45 35.590 31.160 42.720 1.00 0.00 O +ATOM 749 C GLU 45 40.540 30.130 44.800 1.00 0.00 C +ATOM 750 O GLU 45 41.440 30.970 44.970 1.00 0.00 O +ATOM 751 N VAL 46 40.560 28.890 45.270 1.00 0.00 N +ATOM 752 HN VAL 46 39.732 28.352 45.130 1.00 0.00 H +ATOM 753 CA VAL 46 41.880 28.370 45.790 1.00 0.00 C +ATOM 754 HA VAL 46 42.450 29.110 46.330 1.00 0.00 H +ATOM 755 CB VAL 46 41.760 27.280 46.870 1.00 0.00 C +ATOM 756 HB VAL 46 41.322 26.432 46.302 1.00 0.00 H +ATOM 757 CG1 VAL 46 43.110 26.880 47.560 1.00 0.00 C +ATOM 758 1HG1 VAL 46 43.826 26.512 46.794 1.00 0.00 H +ATOM 759 2HG1 VAL 46 43.542 27.764 48.072 1.00 0.00 H +ATOM 760 3HG1 VAL 46 42.890 26.042 48.258 1.00 0.00 H +ATOM 761 CG2 VAL 46 40.750 27.710 47.930 1.00 0.00 C +ATOM 762 1HG2 VAL 46 39.780 27.670 47.390 1.00 0.00 H +ATOM 763 2HG2 VAL 46 40.600 26.898 48.672 1.00 0.00 H +ATOM 764 3HG2 VAL 46 41.002 28.714 48.332 1.00 0.00 H +ATOM 765 C VAL 46 42.840 28.030 44.660 1.00 0.00 C +ATOM 766 O VAL 46 44.040 28.060 44.890 1.00 0.00 O +ATOM 767 N ALA 47 42.460 27.710 43.430 1.00 0.00 N +ATOM 768 HN ALA 47 41.528 27.410 43.250 1.00 0.00 H +ATOM 769 CA ALA 47 43.350 27.430 42.360 1.00 0.00 C +ATOM 770 HA ALA 47 44.090 26.790 42.820 1.00 0.00 H +ATOM 771 CB ALA 47 42.660 26.850 41.080 1.00 0.00 C +ATOM 772 HB1 ALA 47 41.880 27.580 40.770 1.00 0.00 H +ATOM 773 HB2 ALA 47 43.372 26.720 40.238 1.00 0.00 H +ATOM 774 HB3 ALA 47 42.088 25.938 41.350 1.00 0.00 H +ATOM 775 C ALA 47 44.150 28.600 41.900 1.00 0.00 C +ATOM 776 O ALA 47 45.360 28.580 41.640 1.00 0.00 O +ATOM 777 N SER 48 43.550 29.830 42.020 1.00 0.00 N +ATOM 778 HN SER 48 42.554 29.820 42.040 1.00 0.00 H +ATOM 779 CA SER 48 44.150 31.080 41.730 1.00 0.00 C +ATOM 780 HA SER 48 44.498 30.890 40.724 1.00 0.00 H +ATOM 781 CB SER 48 43.120 32.200 41.640 1.00 0.00 C +ATOM 782 HB1 SER 48 43.470 33.190 41.280 1.00 0.00 H +ATOM 783 HB2 SER 48 42.288 31.840 40.998 1.00 0.00 H +ATOM 784 OG SER 48 42.520 32.360 42.940 1.00 0.00 O +ATOM 785 HG1 SER 48 42.020 31.610 43.270 1.00 0.00 H +ATOM 786 C SER 48 45.350 31.470 42.520 1.00 0.00 C +ATOM 787 O SER 48 46.170 32.280 42.090 1.00 0.00 O +ATOM 788 N ASN 49 45.470 30.910 43.740 1.00 0.00 N +ATOM 789 HN ASN 49 44.700 30.380 44.090 1.00 0.00 H +ATOM 790 CA ASN 49 46.720 31.040 44.620 1.00 0.00 C +ATOM 791 HA ASN 49 47.240 31.830 44.100 1.00 0.00 H +ATOM 792 CB ASN 49 46.230 31.190 46.130 1.00 0.00 C +ATOM 793 HB1 ASN 49 45.690 30.258 46.400 1.00 0.00 H +ATOM 794 HB2 ASN 49 47.088 31.440 46.790 1.00 0.00 H +ATOM 795 CG ASN 49 45.360 32.420 46.240 1.00 0.00 C +ATOM 796 OD1 ASN 49 45.580 33.510 45.600 1.00 0.00 O +ATOM 797 ND2 ASN 49 44.320 32.400 47.070 1.00 0.00 N +ATOM 798 1HD2 ASN 49 44.250 31.710 47.790 1.00 0.00 H +ATOM 799 2HD2 ASN 49 43.772 33.236 47.060 1.00 0.00 H +ATOM 800 C ASN 49 47.660 29.810 44.610 1.00 0.00 C +ATOM 801 O ASN 49 48.730 29.800 45.190 1.00 0.00 O +ATOM 802 N ASN 50 47.280 28.800 43.940 1.00 0.00 N +ATOM 803 HN ASN 50 46.522 28.920 43.302 1.00 0.00 H +ATOM 804 CA ASN 50 47.890 27.480 43.910 1.00 0.00 C +ATOM 805 HA ASN 50 48.830 27.540 44.440 1.00 0.00 H +ATOM 806 CB ASN 50 47.010 26.440 44.540 1.00 0.00 C +ATOM 807 HB1 ASN 50 46.690 26.710 45.570 1.00 0.00 H +ATOM 808 HB2 ASN 50 46.046 26.300 44.008 1.00 0.00 H +ATOM 809 CG ASN 50 47.680 25.070 44.710 1.00 0.00 C +ATOM 810 OD1 ASN 50 48.450 24.560 43.920 1.00 0.00 O +ATOM 811 ND2 ASN 50 47.340 24.320 45.820 1.00 0.00 N +ATOM 812 1HD2 ASN 50 46.698 24.782 46.432 1.00 0.00 H +ATOM 813 2HD2 ASN 50 47.550 23.344 45.770 1.00 0.00 H +ATOM 814 C ASN 50 48.150 27.120 42.430 1.00 0.00 C +ATOM 815 O ASN 50 47.280 26.630 41.740 1.00 0.00 O +ATOM 816 N GLU 51 49.460 27.140 41.980 1.00 0.00 N +ATOM 817 HN GLU 51 50.154 27.542 42.572 1.00 0.00 H +ATOM 818 CA GLU 51 49.970 26.800 40.710 1.00 0.00 C +ATOM 819 HA GLU 51 49.560 27.450 39.950 1.00 0.00 H +ATOM 820 CB GLU 51 51.470 27.140 40.600 1.00 0.00 C +ATOM 821 HB1 GLU 51 51.580 28.240 40.700 1.00 0.00 H +ATOM 822 HB2 GLU 51 51.942 26.738 41.522 1.00 0.00 H +ATOM 823 CG GLU 51 52.300 26.580 39.440 1.00 0.00 C +ATOM 824 HG1 GLU 51 52.552 25.544 39.752 1.00 0.00 H +ATOM 825 HG2 GLU 51 51.770 26.840 38.498 1.00 0.00 H +ATOM 826 CD GLU 51 53.650 27.310 39.370 1.00 0.00 C +ATOM 827 OE1 GLU 51 53.850 28.050 38.350 1.00 0.00 O +ATOM 828 OE2 GLU 51 54.350 27.430 40.460 1.00 0.00 O +ATOM 829 C GLU 51 49.710 25.360 40.200 1.00 0.00 C +ATOM 830 O GLU 51 49.270 25.100 39.060 1.00 0.00 O +ATOM 831 N THR 52 49.900 24.400 41.090 1.00 0.00 N +ATOM 832 HN THR 52 50.230 24.560 42.018 1.00 0.00 H +ATOM 833 CA THR 52 49.420 23.070 40.810 1.00 0.00 C +ATOM 834 HA THR 52 49.782 22.850 39.816 1.00 0.00 H +ATOM 835 CB THR 52 49.910 22.070 41.800 1.00 0.00 C +ATOM 836 HB THR 52 49.680 22.500 42.798 1.00 0.00 H +ATOM 837 OG1 THR 52 51.340 22.110 41.860 1.00 0.00 O +ATOM 838 HG1 THR 52 51.560 22.980 42.200 1.00 0.00 H +ATOM 839 CG2 THR 52 49.450 20.570 41.490 1.00 0.00 C +ATOM 840 1HG2 THR 52 50.148 19.832 41.940 1.00 0.00 H +ATOM 841 2HG2 THR 52 48.398 20.430 41.820 1.00 0.00 H +ATOM 842 3HG2 THR 52 49.560 20.550 40.384 1.00 0.00 H +ATOM 843 C THR 52 47.920 22.880 40.570 1.00 0.00 C +ATOM 844 O THR 52 47.560 22.380 39.500 1.00 0.00 O +ATOM 845 N MET 53 47.020 23.420 41.460 1.00 0.00 N +ATOM 846 HN MET 53 47.380 23.910 42.250 1.00 0.00 H +ATOM 847 CA MET 53 45.620 23.370 41.200 1.00 0.00 C +ATOM 848 HA MET 53 45.350 22.334 41.060 1.00 0.00 H +ATOM 849 CB MET 53 44.730 23.900 42.260 1.00 0.00 C +ATOM 850 HB1 MET 53 44.960 24.972 42.440 1.00 0.00 H +ATOM 851 HB2 MET 53 43.694 23.930 41.862 1.00 0.00 H +ATOM 852 CG MET 53 44.790 23.140 43.630 1.00 0.00 C +ATOM 853 HG1 MET 53 44.350 22.138 43.440 1.00 0.00 H +ATOM 854 HG2 MET 53 45.856 23.020 43.920 1.00 0.00 H +ATOM 855 SD MET 53 43.910 23.990 44.900 1.00 0.00 S +ATOM 856 CE MET 53 42.220 23.790 44.170 1.00 0.00 C +ATOM 857 HE1 MET 53 42.080 22.718 43.920 1.00 0.00 H +ATOM 858 HE2 MET 53 41.434 24.108 44.888 1.00 0.00 H +ATOM 859 HE3 MET 53 42.080 24.440 43.280 1.00 0.00 H +ATOM 860 C MET 53 45.250 24.080 39.880 1.00 0.00 C +ATOM 861 O MET 53 44.510 23.510 39.060 1.00 0.00 O +ATOM 862 N ALA 54 45.820 25.280 39.580 1.00 0.00 N +ATOM 863 HN ALA 54 46.390 25.700 40.280 1.00 0.00 H +ATOM 864 CA ALA 54 45.550 26.030 38.350 1.00 0.00 C +ATOM 865 HA ALA 54 44.476 26.100 38.270 1.00 0.00 H +ATOM 866 CB ALA 54 46.130 27.400 38.400 1.00 0.00 C +ATOM 867 HB1 ALA 54 45.648 27.852 39.294 1.00 0.00 H +ATOM 868 HB2 ALA 54 47.240 27.370 38.440 1.00 0.00 H +ATOM 869 HB3 ALA 54 45.870 27.938 37.462 1.00 0.00 H +ATOM 870 C ALA 54 45.940 25.240 37.110 1.00 0.00 C +ATOM 871 O ALA 54 45.170 25.110 36.140 1.00 0.00 O +ATOM 872 N THR 55 47.150 24.540 37.180 1.00 0.00 N +ATOM 873 HN THR 55 47.750 24.690 37.962 1.00 0.00 H +ATOM 874 CA THR 55 47.810 23.700 36.130 1.00 0.00 C +ATOM 875 HA THR 55 47.900 24.320 35.250 1.00 0.00 H +ATOM 876 CB THR 55 49.170 23.110 36.450 1.00 0.00 C +ATOM 877 HB THR 55 49.200 22.430 37.328 1.00 0.00 H +ATOM 878 OG1 THR 55 50.090 24.190 36.710 1.00 0.00 O +ATOM 879 HG1 THR 55 49.770 24.668 37.478 1.00 0.00 H +ATOM 880 CG2 THR 55 49.860 22.390 35.280 1.00 0.00 C +ATOM 881 1HG2 THR 55 50.858 21.960 35.510 1.00 0.00 H +ATOM 882 2HG2 THR 55 49.270 21.558 34.840 1.00 0.00 H +ATOM 883 3HG2 THR 55 50.020 23.078 34.422 1.00 0.00 H +ATOM 884 C THR 55 46.940 22.550 35.820 1.00 0.00 C +ATOM 885 O THR 55 46.680 22.300 34.630 1.00 0.00 O +ATOM 886 N ILE 56 46.440 21.830 36.900 1.00 0.00 N +ATOM 887 HN ILE 56 46.710 22.110 37.818 1.00 0.00 H +ATOM 888 CA ILE 56 45.560 20.710 36.840 1.00 0.00 C +ATOM 889 HA ILE 56 46.020 20.070 36.100 1.00 0.00 H +ATOM 890 CB ILE 56 45.240 20.110 38.200 1.00 0.00 C +ATOM 891 HB ILE 56 45.052 20.854 39.004 1.00 0.00 H +ATOM 892 CG2 ILE 56 43.990 19.140 38.150 1.00 0.00 C +ATOM 893 1HG2 ILE 56 43.890 18.560 39.092 1.00 0.00 H +ATOM 894 2HG2 ILE 56 42.984 19.548 37.912 1.00 0.00 H +ATOM 895 3HG2 ILE 56 44.160 18.320 37.420 1.00 0.00 H +ATOM 896 CG1 ILE 56 46.430 19.250 38.570 1.00 0.00 C +ATOM 897 1HG1 ILE 56 46.678 18.534 37.756 1.00 0.00 H +ATOM 898 2HG1 ILE 56 47.354 19.812 38.822 1.00 0.00 H +ATOM 899 CD ILE 56 46.240 18.490 39.920 1.00 0.00 C +ATOM 900 HD1 ILE 56 45.440 17.720 39.920 1.00 0.00 H +ATOM 901 HD2 ILE 56 47.206 18.002 40.178 1.00 0.00 H +ATOM 902 HD3 ILE 56 45.938 19.266 40.656 1.00 0.00 H +ATOM 903 C ILE 56 44.150 21.240 36.300 1.00 0.00 C +ATOM 904 O ILE 56 43.570 20.630 35.390 1.00 0.00 O +ATOM 905 N LEU 57 43.580 22.380 36.800 1.00 0.00 N +ATOM 906 HN LEU 57 44.042 23.014 37.414 1.00 0.00 H +ATOM 907 CA LEU 57 42.220 22.800 36.410 1.00 0.00 C +ATOM 908 HA LEU 57 41.478 22.018 36.470 1.00 0.00 H +ATOM 909 CB LEU 57 41.570 23.790 37.390 1.00 0.00 C +ATOM 910 HB1 LEU 57 42.208 24.698 37.420 1.00 0.00 H +ATOM 911 HB2 LEU 57 40.624 24.138 36.922 1.00 0.00 H +ATOM 912 CG LEU 57 41.200 23.320 38.800 1.00 0.00 C +ATOM 913 HG LEU 57 42.088 23.120 39.438 1.00 0.00 H +ATOM 914 CD1 LEU 57 40.380 24.350 39.490 1.00 0.00 C +ATOM 915 1HD1 LEU 57 39.328 24.530 39.180 1.00 0.00 H +ATOM 916 2HD1 LEU 57 40.390 24.142 40.582 1.00 0.00 H +ATOM 917 3HD1 LEU 57 40.780 25.368 39.300 1.00 0.00 H +ATOM 918 CD2 LEU 57 40.470 21.910 38.660 1.00 0.00 C +ATOM 919 1HD2 LEU 57 41.170 21.130 38.290 1.00 0.00 H +ATOM 920 2HD2 LEU 57 40.018 21.660 39.644 1.00 0.00 H +ATOM 921 3HD2 LEU 57 39.654 22.082 37.926 1.00 0.00 H +ATOM 922 C LEU 57 42.090 23.210 34.950 1.00 0.00 C +ATOM 923 O LEU 57 41.060 22.960 34.290 1.00 0.00 O +ATOM 924 N LEU 58 43.120 23.790 34.400 1.00 0.00 N +ATOM 925 HN LEU 58 43.906 24.028 34.966 1.00 0.00 H +ATOM 926 CA LEU 58 43.300 24.150 33.020 1.00 0.00 C +ATOM 927 HA LEU 58 42.360 24.620 32.770 1.00 0.00 H +ATOM 928 CB LEU 58 44.410 25.180 32.900 1.00 0.00 C +ATOM 929 HB1 LEU 58 44.140 26.052 33.532 1.00 0.00 H +ATOM 930 HB2 LEU 58 45.366 24.742 33.258 1.00 0.00 H +ATOM 931 CG LEU 58 44.740 25.690 31.530 1.00 0.00 C +ATOM 932 HG LEU 58 45.300 24.960 30.910 1.00 0.00 H +ATOM 933 CD1 LEU 58 43.520 26.110 30.710 1.00 0.00 C +ATOM 934 1HD1 LEU 58 42.910 26.892 31.210 1.00 0.00 H +ATOM 935 2HD1 LEU 58 44.060 26.580 29.860 1.00 0.00 H +ATOM 936 3HD1 LEU 58 42.790 25.320 30.430 1.00 0.00 H +ATOM 937 CD2 LEU 58 45.670 26.920 31.710 1.00 0.00 C +ATOM 938 1HD2 LEU 58 45.860 27.500 30.782 1.00 0.00 H +ATOM 939 2HD2 LEU 58 45.288 27.682 32.422 1.00 0.00 H +ATOM 940 3HD2 LEU 58 46.628 26.522 32.108 1.00 0.00 H +ATOM 941 C LEU 58 43.610 22.990 32.170 1.00 0.00 C +ATOM 942 O LEU 58 43.180 22.880 31.000 1.00 0.00 O +ATOM 943 N GLN 59 44.340 21.910 32.690 1.00 0.00 N +ATOM 944 HN GLN 59 44.792 22.010 33.572 1.00 0.00 H +ATOM 945 CA GLN 59 44.390 20.660 31.890 1.00 0.00 C +ATOM 946 HA GLN 59 44.758 20.900 30.904 1.00 0.00 H +ATOM 947 CB GLN 59 45.350 19.660 32.590 1.00 0.00 C +ATOM 948 HB1 GLN 59 45.062 19.690 33.664 1.00 0.00 H +ATOM 949 HB2 GLN 59 45.180 18.668 32.120 1.00 0.00 H +ATOM 950 CG GLN 59 46.850 19.980 32.350 1.00 0.00 C +ATOM 951 HG1 GLN 59 47.180 19.980 31.290 1.00 0.00 H +ATOM 952 HG2 GLN 59 46.960 21.010 32.750 1.00 0.00 H +ATOM 953 CD GLN 59 47.710 18.970 33.120 1.00 0.00 C +ATOM 954 OE1 GLN 59 47.160 17.920 33.500 1.00 0.00 O +ATOM 955 NE2 GLN 59 48.960 19.320 33.480 1.00 0.00 N +ATOM 956 1HE2 GLN 59 49.320 20.242 33.340 1.00 0.00 H +ATOM 957 2HE2 GLN 59 49.508 18.622 33.940 1.00 0.00 H +ATOM 958 C GLN 59 43.040 19.870 31.660 1.00 0.00 C +ATOM 959 O GLN 59 42.720 19.370 30.570 1.00 0.00 O +ATOM 960 N ASN 60 42.230 19.860 32.740 1.00 0.00 N +ATOM 961 HN ASN 60 42.440 20.300 33.610 1.00 0.00 H +ATOM 962 CA ASN 60 40.920 19.280 32.730 1.00 0.00 C +ATOM 963 HA ASN 60 41.050 18.332 32.230 1.00 0.00 H +ATOM 964 CB ASN 60 40.440 18.940 34.190 1.00 0.00 C +ATOM 965 HB1 ASN 60 40.208 19.886 34.724 1.00 0.00 H +ATOM 966 HB2 ASN 60 39.490 18.370 34.100 1.00 0.00 H +ATOM 967 CG ASN 60 41.530 18.140 34.970 1.00 0.00 C +ATOM 968 OD1 ASN 60 42.400 17.500 34.390 1.00 0.00 O +ATOM 969 ND2 ASN 60 41.380 17.950 36.300 1.00 0.00 N +ATOM 970 1HD2 ASN 60 40.586 18.376 36.736 1.00 0.00 H +ATOM 971 2HD2 ASN 60 42.092 17.468 36.812 1.00 0.00 H +ATOM 972 C ASN 60 39.900 20.110 32.040 1.00 0.00 C +ATOM 973 O ASN 60 38.900 19.540 31.500 1.00 0.00 O +ATOM 974 N LEU 61 40.100 21.460 32.010 1.00 0.00 N +ATOM 975 HN LEU 61 40.878 21.820 32.520 1.00 0.00 H +ATOM 976 CA LEU 61 39.440 22.390 31.130 1.00 0.00 C +ATOM 977 HA LEU 61 38.382 22.230 31.270 1.00 0.00 H +ATOM 978 CB LEU 61 39.940 23.870 31.340 1.00 0.00 C +ATOM 979 HB1 LEU 61 39.930 24.078 32.432 1.00 0.00 H +ATOM 980 HB2 LEU 61 40.962 24.010 30.930 1.00 0.00 H +ATOM 981 CG LEU 61 39.080 24.990 30.720 1.00 0.00 C +ATOM 982 HG LEU 61 38.762 24.632 29.716 1.00 0.00 H +ATOM 983 CD1 LEU 61 37.810 25.340 31.470 1.00 0.00 C +ATOM 984 1HD1 LEU 61 37.182 25.958 30.792 1.00 0.00 H +ATOM 985 2HD1 LEU 61 37.232 24.422 31.710 1.00 0.00 H +ATOM 986 3HD1 LEU 61 38.042 25.994 32.336 1.00 0.00 H +ATOM 987 CD2 LEU 61 39.990 26.180 30.690 1.00 0.00 C +ATOM 988 1HD2 LEU 61 39.382 27.088 30.490 1.00 0.00 H +ATOM 989 2HD2 LEU 61 40.478 26.558 31.614 1.00 0.00 H +ATOM 990 3HD2 LEU 61 40.700 26.120 29.838 1.00 0.00 H +ATOM 991 C LEU 61 39.690 22.020 29.670 1.00 0.00 C +ATOM 992 O LEU 61 38.760 22.080 28.830 1.00 0.00 O +ATOM 993 N LEU 62 40.930 21.660 29.330 1.00 0.00 N +ATOM 994 HN LEU 62 41.654 21.720 30.014 1.00 0.00 H +ATOM 995 CA LEU 62 41.270 21.200 28.010 1.00 0.00 C +ATOM 996 HA LEU 62 40.850 21.878 27.282 1.00 0.00 H +ATOM 997 CB LEU 62 42.820 21.290 27.630 1.00 0.00 C +ATOM 998 HB1 LEU 62 43.250 20.800 28.530 1.00 0.00 H +ATOM 999 HB2 LEU 62 43.170 20.580 26.850 1.00 0.00 H +ATOM 1000 CG LEU 62 43.360 22.700 27.510 1.00 0.00 C +ATOM 1001 HG LEU 62 42.780 23.290 28.250 1.00 0.00 H +ATOM 1002 CD1 LEU 62 44.870 22.830 27.790 1.00 0.00 C +ATOM 1003 1HD1 LEU 62 45.470 22.220 27.080 1.00 0.00 H +ATOM 1004 2HD1 LEU 62 45.260 23.870 27.790 1.00 0.00 H +ATOM 1005 3HD1 LEU 62 45.090 22.570 28.848 1.00 0.00 H +ATOM 1006 CD2 LEU 62 43.250 23.190 26.080 1.00 0.00 C +ATOM 1007 1HD2 LEU 62 43.530 24.264 26.030 1.00 0.00 H +ATOM 1008 2HD2 LEU 62 43.930 22.540 25.490 1.00 0.00 H +ATOM 1009 3HD2 LEU 62 42.212 23.040 25.710 1.00 0.00 H +ATOM 1010 C LEU 62 40.730 19.870 27.660 1.00 0.00 C +ATOM 1011 O LEU 62 40.180 19.690 26.560 1.00 0.00 O +ATOM 1012 N ILE 63 40.710 18.810 28.530 1.00 0.00 N +ATOM 1013 HN ILE 63 41.262 18.980 29.342 1.00 0.00 H +ATOM 1014 CA ILE 63 40.100 17.450 28.390 1.00 0.00 C +ATOM 1015 HA ILE 63 40.580 16.970 27.550 1.00 0.00 H +ATOM 1016 CB ILE 63 40.220 16.480 29.550 1.00 0.00 C +ATOM 1017 HB ILE 63 39.818 16.952 30.472 1.00 0.00 H +ATOM 1018 CG2 ILE 63 39.420 15.080 29.420 1.00 0.00 C +ATOM 1019 1HG2 ILE 63 38.346 15.190 29.160 1.00 0.00 H +ATOM 1020 2HG2 ILE 63 39.990 14.690 28.550 1.00 0.00 H +ATOM 1021 3HG2 ILE 63 39.570 14.442 30.318 1.00 0.00 H +ATOM 1022 CG1 ILE 63 41.770 16.120 29.800 1.00 0.00 C +ATOM 1023 1HG1 ILE 63 42.130 15.460 28.980 1.00 0.00 H +ATOM 1024 2HG1 ILE 63 42.350 17.060 29.690 1.00 0.00 H +ATOM 1025 CD ILE 63 42.020 15.620 31.180 1.00 0.00 C +ATOM 1026 HD1 ILE 63 41.180 14.990 31.540 1.00 0.00 H +ATOM 1027 HD2 ILE 63 42.918 14.972 31.090 1.00 0.00 H +ATOM 1028 HD3 ILE 63 42.100 16.480 31.880 1.00 0.00 H +ATOM 1029 C ILE 63 38.540 17.550 28.050 1.00 0.00 C +ATOM 1030 O ILE 63 38.040 16.970 27.110 1.00 0.00 O +ATOM 1031 N GLN 64 37.830 18.370 28.800 1.00 0.00 N +ATOM 1032 HN GLN 64 38.330 18.800 29.548 1.00 0.00 H +ATOM 1033 CA GLN 64 36.400 18.660 28.570 1.00 0.00 C +ATOM 1034 HA GLN 64 35.792 17.772 28.490 1.00 0.00 H +ATOM 1035 CB GLN 64 35.750 19.320 29.800 1.00 0.00 C +ATOM 1036 HB1 GLN 64 36.416 20.126 30.174 1.00 0.00 H +ATOM 1037 HB2 GLN 64 34.708 19.640 29.580 1.00 0.00 H +ATOM 1038 CG GLN 64 35.620 18.400 31.080 1.00 0.00 C +ATOM 1039 HG1 GLN 64 36.620 18.100 31.460 1.00 0.00 H +ATOM 1040 HG2 GLN 64 35.120 19.080 31.800 1.00 0.00 H +ATOM 1041 CD GLN 64 34.710 17.180 30.880 1.00 0.00 C +ATOM 1042 OE1 GLN 64 33.540 17.380 30.620 1.00 0.00 O +ATOM 1043 NE2 GLN 64 35.200 15.920 30.990 1.00 0.00 N +ATOM 1044 1HE2 GLN 64 36.064 15.712 31.448 1.00 0.00 H +ATOM 1045 2HE2 GLN 64 34.750 15.168 30.510 1.00 0.00 H +ATOM 1046 C GLN 64 36.150 19.390 27.240 1.00 0.00 C +ATOM 1047 O GLN 64 35.200 19.080 26.560 1.00 0.00 O +ATOM 1048 N LEU 65 36.980 20.340 26.790 1.00 0.00 N +ATOM 1049 HN LEU 65 37.670 20.720 27.400 1.00 0.00 H +ATOM 1050 CA LEU 65 36.880 20.940 25.510 1.00 0.00 C +ATOM 1051 HA LEU 65 35.876 21.332 25.430 1.00 0.00 H +ATOM 1052 CB LEU 65 38.000 21.990 25.440 1.00 0.00 C +ATOM 1053 HB1 LEU 65 37.780 22.740 26.230 1.00 0.00 H +ATOM 1054 HB2 LEU 65 38.948 21.500 25.750 1.00 0.00 H +ATOM 1055 CG LEU 65 38.100 22.780 24.070 1.00 0.00 C +ATOM 1056 HG LEU 65 38.260 22.186 23.146 1.00 0.00 H +ATOM 1057 CD1 LEU 65 36.720 23.480 23.860 1.00 0.00 C +ATOM 1058 1HD1 LEU 65 36.830 24.010 22.890 1.00 0.00 H +ATOM 1059 2HD1 LEU 65 35.880 22.780 23.670 1.00 0.00 H +ATOM 1060 3HD1 LEU 65 36.580 24.218 24.678 1.00 0.00 H +ATOM 1061 CD2 LEU 65 39.210 23.830 24.150 1.00 0.00 C +ATOM 1062 1HD2 LEU 65 38.950 24.538 24.966 1.00 0.00 H +ATOM 1063 2HD2 LEU 65 40.142 23.338 24.500 1.00 0.00 H +ATOM 1064 3HD2 LEU 65 39.280 24.408 23.204 1.00 0.00 H +ATOM 1065 C LEU 65 37.010 20.020 24.320 1.00 0.00 C +ATOM 1066 O LEU 65 36.230 20.140 23.360 1.00 0.00 O +ATOM 1067 N ASP 66 37.890 19.050 24.410 1.00 0.00 N +ATOM 1068 HN ASP 66 38.688 19.090 25.008 1.00 0.00 H +ATOM 1069 CA ASP 66 37.930 18.010 23.410 1.00 0.00 C +ATOM 1070 HA ASP 66 38.020 18.462 22.434 1.00 0.00 H +ATOM 1071 CB ASP 66 39.220 17.190 23.570 1.00 0.00 C +ATOM 1072 HB1 ASP 66 39.530 17.070 24.630 1.00 0.00 H +ATOM 1073 HB2 ASP 66 39.080 16.188 23.110 1.00 0.00 H +ATOM 1074 CG ASP 66 40.330 17.820 22.770 1.00 0.00 C +ATOM 1075 OD1 ASP 66 40.260 19.000 22.360 1.00 0.00 O +ATOM 1076 OD2 ASP 66 41.400 17.140 22.620 1.00 0.00 O +ATOM 1077 C ASP 66 36.610 17.170 23.260 1.00 0.00 C +ATOM 1078 O ASP 66 36.140 16.810 22.170 1.00 0.00 O +ATOM 1079 N GLU 67 35.930 16.840 24.440 1.00 0.00 N +ATOM 1080 HN GLU 67 36.428 17.050 25.278 1.00 0.00 H +ATOM 1081 CA GLU 67 34.650 16.240 24.530 1.00 0.00 C +ATOM 1082 HA GLU 67 34.650 15.300 24.000 1.00 0.00 H +ATOM 1083 CB GLU 67 34.120 15.920 25.960 1.00 0.00 C +ATOM 1084 HB1 GLU 67 34.030 16.810 26.620 1.00 0.00 H +ATOM 1085 HB2 GLU 67 33.096 15.502 25.840 1.00 0.00 H +ATOM 1086 CG GLU 67 35.010 14.880 26.640 1.00 0.00 C +ATOM 1087 HG1 GLU 67 35.440 14.130 25.940 1.00 0.00 H +ATOM 1088 HG2 GLU 67 35.934 15.416 26.948 1.00 0.00 H +ATOM 1089 CD GLU 67 34.450 14.320 27.920 1.00 0.00 C +ATOM 1090 OE1 GLU 67 33.230 14.460 28.180 1.00 0.00 O +ATOM 1091 OE2 GLU 67 35.280 13.720 28.660 1.00 0.00 O +ATOM 1092 C GLU 67 33.530 17.080 23.940 1.00 0.00 C +ATOM 1093 O GLU 67 32.650 16.580 23.270 1.00 0.00 O +ATOM 1094 N GLN 68 33.570 18.400 24.130 1.00 0.00 N +ATOM 1095 HN GLN 68 34.278 18.650 24.788 1.00 0.00 H +ATOM 1096 CA GLN 68 32.720 19.430 23.520 1.00 0.00 C +ATOM 1097 HA GLN 68 31.734 19.002 23.620 1.00 0.00 H +ATOM 1098 CB GLN 68 32.750 20.840 24.220 1.00 0.00 C +ATOM 1099 HB1 GLN 68 33.782 21.210 24.400 1.00 0.00 H +ATOM 1100 HB2 GLN 68 32.290 21.690 23.670 1.00 0.00 H +ATOM 1101 CG GLN 68 32.160 20.750 25.620 1.00 0.00 C +ATOM 1102 HG1 GLN 68 32.868 20.092 26.168 1.00 0.00 H +ATOM 1103 HG2 GLN 68 32.320 21.758 26.060 1.00 0.00 H +ATOM 1104 CD GLN 68 30.740 20.230 25.840 1.00 0.00 C +ATOM 1105 OE1 GLN 68 29.920 20.560 25.040 1.00 0.00 O +ATOM 1106 NE2 GLN 68 30.530 19.490 26.940 1.00 0.00 N +ATOM 1107 1HE2 GLN 68 31.288 19.170 27.508 1.00 0.00 H +ATOM 1108 2HE2 GLN 68 29.584 19.298 27.202 1.00 0.00 H +ATOM 1109 C GLN 68 32.950 19.510 22.010 1.00 0.00 C +ATOM 1110 O GLN 68 31.970 19.440 21.240 1.00 0.00 O +ATOM 1111 N LEU 69 34.200 19.500 21.590 1.00 0.00 N +ATOM 1112 HN LEU 69 34.900 19.330 22.280 1.00 0.00 H +ATOM 1113 CA LEU 69 34.620 19.380 20.190 1.00 0.00 C +ATOM 1114 HA LEU 69 34.208 20.216 19.646 1.00 0.00 H +ATOM 1115 CB LEU 69 36.150 19.600 19.910 1.00 0.00 C +ATOM 1116 HB1 LEU 69 36.750 18.940 20.570 1.00 0.00 H +ATOM 1117 HB2 LEU 69 36.500 19.290 18.902 1.00 0.00 H +ATOM 1118 CG LEU 69 36.680 21.030 20.170 1.00 0.00 C +ATOM 1119 HG LEU 69 36.090 21.370 21.048 1.00 0.00 H +ATOM 1120 CD1 LEU 69 38.170 21.090 20.400 1.00 0.00 C +ATOM 1121 1HD1 LEU 69 38.462 20.328 21.152 1.00 0.00 H +ATOM 1122 2HD1 LEU 69 38.660 20.750 19.462 1.00 0.00 H +ATOM 1123 3HD1 LEU 69 38.512 22.076 20.782 1.00 0.00 H +ATOM 1124 CD2 LEU 69 36.200 21.800 18.910 1.00 0.00 C +ATOM 1125 1HD2 LEU 69 36.468 22.864 19.088 1.00 0.00 H +ATOM 1126 2HD2 LEU 69 36.512 21.388 17.926 1.00 0.00 H +ATOM 1127 3HD2 LEU 69 35.090 21.770 18.860 1.00 0.00 H +ATOM 1128 C LEU 69 34.130 18.150 19.500 1.00 0.00 C +ATOM 1129 O LEU 69 33.570 18.280 18.420 1.00 0.00 O +ATOM 1130 N GLY 70 34.210 16.950 20.140 1.00 0.00 N +ATOM 1131 HN GLY 70 34.692 16.910 21.012 1.00 0.00 H +ATOM 1132 CA GLY 70 33.570 15.700 19.670 1.00 0.00 C +ATOM 1133 HA1 GLY 70 34.050 15.480 18.728 1.00 0.00 H +ATOM 1134 HA2 GLY 70 33.810 14.888 20.342 1.00 0.00 H +ATOM 1135 C GLY 70 32.060 15.820 19.520 1.00 0.00 C +ATOM 1136 O GLY 70 31.510 15.390 18.480 1.00 0.00 O +ATOM 1137 N ARG 71 31.380 16.360 20.490 1.00 0.00 N +ATOM 1138 HN ARG 71 31.832 16.792 21.266 1.00 0.00 H +ATOM 1139 CA ARG 71 29.950 16.590 20.490 1.00 0.00 C +ATOM 1140 HA ARG 71 29.508 15.614 20.360 1.00 0.00 H +ATOM 1141 CB ARG 71 29.530 17.170 21.850 1.00 0.00 C +ATOM 1142 HB1 ARG 71 29.510 16.278 22.512 1.00 0.00 H +ATOM 1143 HB2 ARG 71 30.224 17.934 22.262 1.00 0.00 H +ATOM 1144 CG ARG 71 28.080 17.770 21.850 1.00 0.00 C +ATOM 1145 HG1 ARG 71 28.040 18.718 21.272 1.00 0.00 H +ATOM 1146 HG2 ARG 71 27.368 17.028 21.430 1.00 0.00 H +ATOM 1147 CD ARG 71 27.510 17.960 23.250 1.00 0.00 C +ATOM 1148 HD1 ARG 71 27.700 16.988 23.752 1.00 0.00 H +ATOM 1149 HD2 ARG 71 27.998 18.746 23.866 1.00 0.00 H +ATOM 1150 NE ARG 71 26.050 18.370 23.180 1.00 0.00 N +ATOM 1151 HE ARG 71 25.544 18.410 22.318 1.00 0.00 H +ATOM 1152 CZ ARG 71 25.170 18.510 24.210 1.00 0.00 C +ATOM 1153 NH1 ARG 71 25.490 18.040 25.400 1.00 0.00 N +ATOM 1154 1HH1 ARG 71 26.474 18.000 25.570 1.00 0.00 H +ATOM 1155 2HH1 ARG 71 24.810 18.100 26.130 1.00 0.00 H +ATOM 1156 NH2 ARG 71 23.980 18.860 23.930 1.00 0.00 N +ATOM 1157 1HH2 ARG 71 23.820 19.562 23.238 1.00 0.00 H +ATOM 1158 2HH2 ARG 71 23.478 18.930 24.792 1.00 0.00 H +ATOM 1159 C ARG 71 29.540 17.460 19.370 1.00 0.00 C +ATOM 1160 O ARG 71 28.690 17.140 18.520 1.00 0.00 O +ATOM 1161 N VAL 72 30.150 18.600 19.220 1.00 0.00 N +ATOM 1162 HN VAL 72 30.840 18.980 19.830 1.00 0.00 H +ATOM 1163 CA VAL 72 29.590 19.510 18.260 1.00 0.00 C +ATOM 1164 HA VAL 72 28.512 19.520 18.200 1.00 0.00 H +ATOM 1165 CB VAL 72 29.960 21.060 18.510 1.00 0.00 C +ATOM 1166 HB VAL 72 29.442 21.676 17.744 1.00 0.00 H +ATOM 1167 CG1 VAL 72 29.450 21.410 19.900 1.00 0.00 C +ATOM 1168 1HG1 VAL 72 29.982 20.828 20.682 1.00 0.00 H +ATOM 1169 2HG1 VAL 72 29.630 22.496 20.060 1.00 0.00 H +ATOM 1170 3HG1 VAL 72 28.340 21.350 19.900 1.00 0.00 H +ATOM 1171 CG2 VAL 72 31.460 21.420 18.480 1.00 0.00 C +ATOM 1172 1HG2 VAL 72 31.950 20.930 19.350 1.00 0.00 H +ATOM 1173 2HG2 VAL 72 31.952 21.270 17.496 1.00 0.00 H +ATOM 1174 3HG2 VAL 72 31.590 22.496 18.728 1.00 0.00 H +ATOM 1175 C VAL 72 29.900 19.120 16.830 1.00 0.00 C +ATOM 1176 O VAL 72 29.180 19.400 15.890 1.00 0.00 O +ATOM 1177 N SER 73 31.010 18.380 16.690 1.00 0.00 N +ATOM 1178 HN SER 73 31.462 18.078 17.524 1.00 0.00 H +ATOM 1179 CA SER 73 31.390 17.770 15.350 1.00 0.00 C +ATOM 1180 HA SER 73 31.420 18.518 14.572 1.00 0.00 H +ATOM 1181 CB SER 73 32.740 17.140 15.480 1.00 0.00 C +ATOM 1182 HB1 SER 73 32.770 16.444 16.346 1.00 0.00 H +ATOM 1183 HB2 SER 73 33.038 16.512 14.614 1.00 0.00 H +ATOM 1184 OG SER 73 33.820 18.100 15.630 1.00 0.00 O +ATOM 1185 HG1 SER 73 33.720 18.408 16.534 1.00 0.00 H +ATOM 1186 C SER 73 30.310 16.740 14.960 1.00 0.00 C +ATOM 1187 O SER 73 29.860 16.720 13.800 1.00 0.00 O +ATOM 1188 N LYS 74 29.790 15.860 15.890 1.00 0.00 N +ATOM 1189 HN LYS 74 30.080 15.840 16.844 1.00 0.00 H +ATOM 1190 CA LYS 74 28.690 14.920 15.650 1.00 0.00 C +ATOM 1191 HA LYS 74 28.890 14.160 14.910 1.00 0.00 H +ATOM 1192 CB LYS 74 28.480 14.190 16.970 1.00 0.00 C +ATOM 1193 HB1 LYS 74 29.448 13.810 17.360 1.00 0.00 H +ATOM 1194 HB2 LYS 74 28.088 14.884 17.744 1.00 0.00 H +ATOM 1195 CG LYS 74 27.520 12.980 16.910 1.00 0.00 C +ATOM 1196 HG1 LYS 74 26.578 13.300 16.418 1.00 0.00 H +ATOM 1197 HG2 LYS 74 28.020 12.190 16.310 1.00 0.00 H +ATOM 1198 CD LYS 74 27.270 12.410 18.290 1.00 0.00 C +ATOM 1199 HD1 LYS 74 28.274 12.240 18.732 1.00 0.00 H +ATOM 1200 HD2 LYS 74 26.830 13.142 19.002 1.00 0.00 H +ATOM 1201 CE LYS 74 26.380 11.210 18.360 1.00 0.00 C +ATOM 1202 HE1 LYS 74 26.540 10.738 19.352 1.00 0.00 H +ATOM 1203 HE2 LYS 74 25.342 11.598 18.270 1.00 0.00 H +ATOM 1204 NZ LYS 74 26.630 10.200 17.290 1.00 0.00 N +ATOM 1205 HZ1 LYS 74 25.900 9.460 17.280 1.00 0.00 H +ATOM 1206 HZ2 LYS 74 26.530 10.580 16.328 1.00 0.00 H +ATOM 1207 HZ3 LYS 74 27.554 9.728 17.370 1.00 0.00 H +ATOM 1208 C LYS 74 27.440 15.770 15.240 1.00 0.00 C +ATOM 1209 O LYS 74 26.910 15.560 14.140 1.00 0.00 O +ATOM 1210 N GLU 75 27.120 16.820 16.050 1.00 0.00 N +ATOM 1211 HN GLU 75 27.640 17.010 16.880 1.00 0.00 H +ATOM 1212 CA GLU 75 25.910 17.640 15.820 1.00 0.00 C +ATOM 1213 HA GLU 75 25.038 17.018 15.690 1.00 0.00 H +ATOM 1214 CB GLU 75 25.600 18.570 17.030 1.00 0.00 C +ATOM 1215 HB1 GLU 75 26.418 19.278 17.280 1.00 0.00 H +ATOM 1216 HB2 GLU 75 24.690 19.180 16.850 1.00 0.00 H +ATOM 1217 CG GLU 75 25.350 17.730 18.280 1.00 0.00 C +ATOM 1218 HG1 GLU 75 24.474 17.146 17.928 1.00 0.00 H +ATOM 1219 HG2 GLU 75 26.160 16.990 18.450 1.00 0.00 H +ATOM 1220 CD GLU 75 25.020 18.570 19.500 1.00 0.00 C +ATOM 1221 OE1 GLU 75 25.010 19.810 19.400 1.00 0.00 O +ATOM 1222 OE2 GLU 75 24.610 17.970 20.510 1.00 0.00 O +ATOM 1223 C GLU 75 26.000 18.490 14.500 1.00 0.00 C +ATOM 1224 O GLU 75 25.000 19.030 14.010 1.00 0.00 O +ATOM 1225 N LYS 76 27.250 18.650 13.880 1.00 0.00 N +ATOM 1226 HN LYS 76 28.000 18.210 14.370 1.00 0.00 H +ATOM 1227 CA LYS 76 27.610 19.250 12.640 1.00 0.00 C +ATOM 1228 HA LYS 76 28.636 19.040 12.372 1.00 0.00 H +ATOM 1229 CB LYS 76 26.870 18.630 11.390 1.00 0.00 C +ATOM 1230 HB1 LYS 76 25.796 18.780 11.630 1.00 0.00 H +ATOM 1231 HB2 LYS 76 27.120 19.230 10.490 1.00 0.00 H +ATOM 1232 CG LYS 76 27.310 17.190 11.190 1.00 0.00 C +ATOM 1233 HG1 LYS 76 28.374 17.160 10.872 1.00 0.00 H +ATOM 1234 HG2 LYS 76 27.270 16.612 12.138 1.00 0.00 H +ATOM 1235 CD LYS 76 26.430 16.470 10.160 1.00 0.00 C +ATOM 1236 HD1 LYS 76 26.670 15.388 10.100 1.00 0.00 H +ATOM 1237 HD2 LYS 76 25.370 16.550 10.480 1.00 0.00 H +ATOM 1238 CE LYS 76 26.600 17.080 8.750 1.00 0.00 C +ATOM 1239 HE1 LYS 76 26.162 18.096 8.840 1.00 0.00 H +ATOM 1240 HE2 LYS 76 27.688 17.140 8.530 1.00 0.00 H +ATOM 1241 NZ LYS 76 25.900 16.270 7.840 1.00 0.00 N +ATOM 1242 HZ1 LYS 76 26.328 16.220 6.894 1.00 0.00 H +ATOM 1243 HZ2 LYS 76 25.850 15.302 8.218 1.00 0.00 H +ATOM 1244 HZ3 LYS 76 24.910 16.580 7.780 1.00 0.00 H +ATOM 1245 C LYS 76 27.420 20.770 12.660 1.00 0.00 C +ATOM 1246 O LYS 76 27.120 21.410 11.620 1.00 0.00 O +ATOM 1247 N ASN 77 27.470 21.450 13.840 1.00 0.00 N +ATOM 1248 HN ASN 77 27.740 20.938 14.652 1.00 0.00 H +ATOM 1249 CA ASN 77 27.280 22.870 14.040 1.00 0.00 C +ATOM 1250 HA ASN 77 26.642 23.178 13.224 1.00 0.00 H +ATOM 1251 CB ASN 77 26.580 23.190 15.430 1.00 0.00 C +ATOM 1252 HB1 ASN 77 25.586 22.708 15.320 1.00 0.00 H +ATOM 1253 HB2 ASN 77 27.270 22.890 16.248 1.00 0.00 H +ATOM 1254 CG ASN 77 26.250 24.700 15.610 1.00 0.00 C +ATOM 1255 OD1 ASN 77 26.700 25.620 14.920 1.00 0.00 O +ATOM 1256 ND2 ASN 77 25.520 25.010 16.710 1.00 0.00 N +ATOM 1257 1HD2 ASN 77 25.470 24.382 17.488 1.00 0.00 H +ATOM 1258 2HD2 ASN 77 25.358 25.986 16.850 1.00 0.00 H +ATOM 1259 C ASN 77 28.590 23.610 13.910 1.00 0.00 C +ATOM 1260 O ASN 77 29.370 23.690 14.840 1.00 0.00 O +ATOM 1261 N LEU 78 28.800 24.070 12.670 1.00 0.00 N +ATOM 1262 HN LEU 78 28.086 24.030 11.976 1.00 0.00 H +ATOM 1263 CA LEU 78 30.030 24.620 12.170 1.00 0.00 C +ATOM 1264 HA LEU 78 30.798 23.892 12.390 1.00 0.00 H +ATOM 1265 CB LEU 78 29.900 25.070 10.700 1.00 0.00 C +ATOM 1266 HB1 LEU 78 29.210 25.930 10.570 1.00 0.00 H +ATOM 1267 HB2 LEU 78 30.860 25.550 10.410 1.00 0.00 H +ATOM 1268 CG LEU 78 29.510 23.880 9.750 1.00 0.00 C +ATOM 1269 HG LEU 78 28.466 23.602 10.008 1.00 0.00 H +ATOM 1270 CD1 LEU 78 29.390 24.370 8.290 1.00 0.00 C +ATOM 1271 1HD1 LEU 78 29.060 25.430 8.230 1.00 0.00 H +ATOM 1272 2HD1 LEU 78 30.364 24.430 7.758 1.00 0.00 H +ATOM 1273 3HD1 LEU 78 28.742 23.612 7.802 1.00 0.00 H +ATOM 1274 CD2 LEU 78 30.340 22.560 9.750 1.00 0.00 C +ATOM 1275 1HD2 LEU 78 31.380 22.780 9.430 1.00 0.00 H +ATOM 1276 2HD2 LEU 78 30.360 22.052 10.738 1.00 0.00 H +ATOM 1277 3HD2 LEU 78 29.788 21.878 9.068 1.00 0.00 H +ATOM 1278 C LEU 78 30.530 25.780 12.960 1.00 0.00 C +ATOM 1279 O LEU 78 31.730 25.940 13.150 1.00 0.00 O +ATOM 1280 N LEU 79 29.590 26.680 13.420 1.00 0.00 N +ATOM 1281 HN LEU 79 28.622 26.580 13.200 1.00 0.00 H +ATOM 1282 CA LEU 79 29.980 27.820 14.300 1.00 0.00 C +ATOM 1283 HA LEU 79 30.638 28.468 13.742 1.00 0.00 H +ATOM 1284 CB LEU 79 28.740 28.640 14.670 1.00 0.00 C +ATOM 1285 HB1 LEU 79 28.340 29.010 13.702 1.00 0.00 H +ATOM 1286 HB2 LEU 79 28.008 27.908 15.072 1.00 0.00 H +ATOM 1287 CG LEU 79 28.940 29.770 15.580 1.00 0.00 C +ATOM 1288 HG LEU 79 29.368 29.372 16.526 1.00 0.00 H +ATOM 1289 CD1 LEU 79 29.890 30.840 15.000 1.00 0.00 C +ATOM 1290 1HD1 LEU 79 30.930 30.500 14.810 1.00 0.00 H +ATOM 1291 2HD1 LEU 79 29.538 31.082 13.974 1.00 0.00 H +ATOM 1292 3HD1 LEU 79 30.030 31.750 15.620 1.00 0.00 H +ATOM 1293 CD2 LEU 79 27.580 30.420 15.850 1.00 0.00 C +ATOM 1294 1HD2 LEU 79 26.808 29.708 16.212 1.00 0.00 H +ATOM 1295 2HD2 LEU 79 27.670 31.256 16.576 1.00 0.00 H +ATOM 1296 3HD2 LEU 79 27.150 30.800 14.900 1.00 0.00 H +ATOM 1297 C LEU 79 30.810 27.460 15.490 1.00 0.00 C +ATOM 1298 O LEU 79 31.960 27.930 15.640 1.00 0.00 O +ATOM 1299 N LEU 80 30.230 26.620 16.360 1.00 0.00 N +ATOM 1300 HN LEU 80 29.260 26.400 16.280 1.00 0.00 H +ATOM 1301 CA LEU 80 30.860 25.960 17.500 1.00 0.00 C +ATOM 1302 HA LEU 80 31.258 26.646 18.234 1.00 0.00 H +ATOM 1303 CB LEU 80 29.840 25.090 18.210 1.00 0.00 C +ATOM 1304 HB1 LEU 80 29.560 24.180 17.640 1.00 0.00 H +ATOM 1305 HB2 LEU 80 30.420 24.670 19.060 1.00 0.00 H +ATOM 1306 CG LEU 80 28.570 25.830 18.850 1.00 0.00 C +ATOM 1307 HG LEU 80 27.830 26.240 18.130 1.00 0.00 H +ATOM 1308 CD1 LEU 80 27.690 24.900 19.760 1.00 0.00 C +ATOM 1309 1HD1 LEU 80 27.290 23.920 19.420 1.00 0.00 H +ATOM 1310 2HD1 LEU 80 28.382 24.780 20.622 1.00 0.00 H +ATOM 1311 3HD1 LEU 80 26.756 25.462 19.970 1.00 0.00 H +ATOM 1312 CD2 LEU 80 29.040 27.090 19.660 1.00 0.00 C +ATOM 1313 1HD2 LEU 80 29.970 26.860 20.220 1.00 0.00 H +ATOM 1314 2HD2 LEU 80 29.318 27.936 18.994 1.00 0.00 H +ATOM 1315 3HD2 LEU 80 28.190 27.310 20.340 1.00 0.00 H +ATOM 1316 C LEU 80 32.070 25.140 17.160 1.00 0.00 C +ATOM 1317 O LEU 80 33.070 25.280 17.860 1.00 0.00 O +ATOM 1318 N ILE 81 32.070 24.330 16.060 1.00 0.00 N +ATOM 1319 HN ILE 81 31.252 24.180 15.510 1.00 0.00 H +ATOM 1320 CA ILE 81 33.250 23.600 15.660 1.00 0.00 C +ATOM 1321 HA ILE 81 33.550 22.968 16.482 1.00 0.00 H +ATOM 1322 CB ILE 81 33.010 22.760 14.350 1.00 0.00 C +ATOM 1323 HB ILE 81 32.628 23.412 13.536 1.00 0.00 H +ATOM 1324 CG2 ILE 81 34.300 22.070 13.980 1.00 0.00 C +ATOM 1325 1HG2 ILE 81 34.130 21.382 13.124 1.00 0.00 H +ATOM 1326 2HG2 ILE 81 35.170 22.700 13.700 1.00 0.00 H +ATOM 1327 3HG2 ILE 81 34.580 21.320 14.750 1.00 0.00 H +ATOM 1328 CG1 ILE 81 31.990 21.590 14.590 1.00 0.00 C +ATOM 1329 1HG1 ILE 81 32.522 20.716 15.022 1.00 0.00 H +ATOM 1330 2HG1 ILE 81 31.226 21.948 15.314 1.00 0.00 H +ATOM 1331 CD ILE 81 31.300 21.180 13.350 1.00 0.00 C +ATOM 1332 HD1 ILE 81 31.400 22.082 12.710 1.00 0.00 H +ATOM 1333 HD2 ILE 81 31.700 20.220 12.960 1.00 0.00 H +ATOM 1334 HD3 ILE 81 30.258 21.012 13.698 1.00 0.00 H +ATOM 1335 C ILE 81 34.440 24.520 15.340 1.00 0.00 C +ATOM 1336 O ILE 81 35.540 24.280 15.820 1.00 0.00 O +ATOM 1337 N HIS 82 34.170 25.550 14.540 1.00 0.00 N +ATOM 1338 HN HIS 82 33.298 25.610 14.060 1.00 0.00 H +ATOM 1339 CA HIS 82 35.080 26.550 14.210 1.00 0.00 C +ATOM 1340 HA HIS 82 35.936 26.042 13.792 1.00 0.00 H +ATOM 1341 CB HIS 82 34.500 27.370 13.070 1.00 0.00 C +ATOM 1342 HB1 HIS 82 34.240 26.820 12.140 1.00 0.00 H +ATOM 1343 HB2 HIS 82 33.610 27.990 13.310 1.00 0.00 H +ATOM 1344 ND1 HIS 82 35.530 29.580 13.400 1.00 0.00 N +ATOM 1345 CG HIS 82 35.520 28.420 12.650 1.00 0.00 C +ATOM 1346 CE1 HIS 82 36.400 30.330 12.780 1.00 0.00 C +ATOM 1347 HE1 HIS 82 36.640 31.376 12.970 1.00 0.00 H +ATOM 1348 NE2 HIS 82 36.980 29.740 11.700 1.00 0.00 N +ATOM 1349 HE2 HIS 82 37.754 30.062 11.156 1.00 0.00 H +ATOM 1350 CD2 HIS 82 36.420 28.450 11.630 1.00 0.00 C +ATOM 1351 HD2 HIS 82 36.580 27.828 10.758 1.00 0.00 H +ATOM 1352 C HIS 82 35.550 27.360 15.470 1.00 0.00 C +ATOM 1353 O HIS 82 36.780 27.320 15.780 1.00 0.00 O +ATOM 1354 N ASN 83 34.690 28.090 16.280 1.00 0.00 N +ATOM 1355 HN ASN 83 33.720 28.030 16.060 1.00 0.00 H +ATOM 1356 CA ASN 83 35.070 28.910 17.420 1.00 0.00 C +ATOM 1357 HA ASN 83 35.882 29.512 17.040 1.00 0.00 H +ATOM 1358 CB ASN 83 33.880 29.860 17.970 1.00 0.00 C +ATOM 1359 HB1 ASN 83 32.994 29.254 18.258 1.00 0.00 H +ATOM 1360 HB2 ASN 83 34.238 30.358 18.896 1.00 0.00 H +ATOM 1361 CG ASN 83 33.470 30.980 17.030 1.00 0.00 C +ATOM 1362 OD1 ASN 83 32.550 31.720 17.390 1.00 0.00 O +ATOM 1363 ND2 ASN 83 34.090 31.070 15.830 1.00 0.00 N +ATOM 1364 1HD2 ASN 83 34.566 30.246 15.522 1.00 0.00 H +ATOM 1365 2HD2 ASN 83 33.736 31.806 15.254 1.00 0.00 H +ATOM 1366 C ASN 83 35.760 28.090 18.500 1.00 0.00 C +ATOM 1367 O ASN 83 36.700 28.630 19.110 1.00 0.00 O +ATOM 1368 N LEU 84 35.340 26.840 18.840 1.00 0.00 N +ATOM 1369 HN LEU 84 34.606 26.316 18.418 1.00 0.00 H +ATOM 1370 CA LEU 84 36.090 26.060 19.880 1.00 0.00 C +ATOM 1371 HA LEU 84 36.150 26.610 20.808 1.00 0.00 H +ATOM 1372 CB LEU 84 35.140 24.810 20.210 1.00 0.00 C +ATOM 1373 HB1 LEU 84 34.818 24.288 19.284 1.00 0.00 H +ATOM 1374 HB2 LEU 84 35.688 24.042 20.798 1.00 0.00 H +ATOM 1375 CG LEU 84 33.920 25.290 20.950 1.00 0.00 C +ATOM 1376 HG LEU 84 33.368 26.052 20.358 1.00 0.00 H +ATOM 1377 CD1 LEU 84 32.940 24.160 21.220 1.00 0.00 C +ATOM 1378 1HD1 LEU 84 32.780 23.602 20.272 1.00 0.00 H +ATOM 1379 2HD1 LEU 84 33.378 23.422 21.928 1.00 0.00 H +ATOM 1380 3HD1 LEU 84 31.974 24.602 21.542 1.00 0.00 H +ATOM 1381 CD2 LEU 84 34.260 25.930 22.320 1.00 0.00 C +ATOM 1382 1HD2 LEU 84 33.344 25.970 22.948 1.00 0.00 H +ATOM 1383 2HD2 LEU 84 34.982 25.368 22.952 1.00 0.00 H +ATOM 1384 3HD2 LEU 84 34.600 26.968 22.110 1.00 0.00 H +ATOM 1385 C LEU 84 37.490 25.540 19.570 1.00 0.00 C +ATOM 1386 O LEU 84 38.310 25.540 20.490 1.00 0.00 O +ATOM 1387 N LYS 85 37.730 25.240 18.270 1.00 0.00 N +ATOM 1388 HN LYS 85 36.968 25.200 17.628 1.00 0.00 H +ATOM 1389 CA LYS 85 39.060 24.980 17.790 1.00 0.00 C +ATOM 1390 HA LYS 85 39.510 24.220 18.410 1.00 0.00 H +ATOM 1391 CB LYS 85 39.140 24.470 16.380 1.00 0.00 C +ATOM 1392 HB1 LYS 85 38.438 25.052 15.748 1.00 0.00 H +ATOM 1393 HB2 LYS 85 40.166 24.430 15.952 1.00 0.00 H +ATOM 1394 CG LYS 85 38.780 22.900 16.410 1.00 0.00 C +ATOM 1395 HG1 LYS 85 39.358 22.342 17.178 1.00 0.00 H +ATOM 1396 HG2 LYS 85 37.726 22.840 16.758 1.00 0.00 H +ATOM 1397 CD LYS 85 38.860 22.140 15.060 1.00 0.00 C +ATOM 1398 HD1 LYS 85 38.408 22.762 14.258 1.00 0.00 H +ATOM 1399 HD2 LYS 85 39.898 22.000 14.690 1.00 0.00 H +ATOM 1400 CE LYS 85 38.050 20.850 15.030 1.00 0.00 C +ATOM 1401 HE1 LYS 85 38.290 20.088 15.802 1.00 0.00 H +ATOM 1402 HE2 LYS 85 37.010 21.160 15.270 1.00 0.00 H +ATOM 1403 NZ LYS 85 38.110 20.250 13.760 1.00 0.00 N +ATOM 1404 HZ1 LYS 85 37.380 19.510 13.760 1.00 0.00 H +ATOM 1405 HZ2 LYS 85 37.940 20.898 12.964 1.00 0.00 H +ATOM 1406 HZ3 LYS 85 39.030 19.810 13.560 1.00 0.00 H +ATOM 1407 C LYS 85 40.050 26.110 17.800 1.00 0.00 C +ATOM 1408 O LYS 85 41.210 26.020 18.160 1.00 0.00 O +ATOM 1409 N ARG 86 39.570 27.380 17.490 1.00 0.00 N +ATOM 1410 HN ARG 86 38.596 27.500 17.320 1.00 0.00 H +ATOM 1411 CA ARG 86 40.250 28.660 17.790 1.00 0.00 C +ATOM 1412 HA ARG 86 41.188 28.650 17.256 1.00 0.00 H +ATOM 1413 CB ARG 86 39.540 29.950 17.240 1.00 0.00 C +ATOM 1414 HB1 ARG 86 38.494 29.960 17.612 1.00 0.00 H +ATOM 1415 HB2 ARG 86 40.072 30.884 17.522 1.00 0.00 H +ATOM 1416 CG ARG 86 39.590 29.870 15.680 1.00 0.00 C +ATOM 1417 HG1 ARG 86 40.670 29.940 15.430 1.00 0.00 H +ATOM 1418 HG2 ARG 86 39.090 28.958 15.290 1.00 0.00 H +ATOM 1419 CD ARG 86 38.890 31.060 15.040 1.00 0.00 C +ATOM 1420 HD1 ARG 86 37.808 30.820 15.110 1.00 0.00 H +ATOM 1421 HD2 ARG 86 39.120 32.002 15.582 1.00 0.00 H +ATOM 1422 NE ARG 86 39.250 31.120 13.540 1.00 0.00 N +ATOM 1423 HE ARG 86 39.784 30.344 13.208 1.00 0.00 H +ATOM 1424 CZ ARG 86 39.190 32.230 12.840 1.00 0.00 C +ATOM 1425 NH1 ARG 86 38.410 33.240 13.230 1.00 0.00 N +ATOM 1426 1HH1 ARG 86 37.922 33.150 14.098 1.00 0.00 H +ATOM 1427 2HH1 ARG 86 38.520 34.128 12.782 1.00 0.00 H +ATOM 1428 NH2 ARG 86 39.710 32.290 11.630 1.00 0.00 N +ATOM 1429 1HH2 ARG 86 40.040 31.490 11.130 1.00 0.00 H +ATOM 1430 2HH2 ARG 86 39.650 33.164 11.148 1.00 0.00 H +ATOM 1431 C ARG 86 40.560 28.830 19.300 1.00 0.00 C +ATOM 1432 O ARG 86 41.610 29.150 19.770 1.00 0.00 O +ATOM 1433 N ILE 87 39.560 28.570 20.110 1.00 0.00 N +ATOM 1434 HN ILE 87 38.650 28.310 19.800 1.00 0.00 H +ATOM 1435 CA ILE 87 39.700 28.630 21.510 1.00 0.00 C +ATOM 1436 HA ILE 87 40.052 29.634 21.700 1.00 0.00 H +ATOM 1437 CB ILE 87 38.300 28.520 22.150 1.00 0.00 C +ATOM 1438 HB ILE 87 37.680 27.690 21.750 1.00 0.00 H +ATOM 1439 CG2 ILE 87 38.390 28.250 23.670 1.00 0.00 C +ATOM 1440 1HG2 ILE 87 37.380 28.350 24.120 1.00 0.00 H +ATOM 1441 2HG2 ILE 87 38.760 27.240 23.950 1.00 0.00 H +ATOM 1442 3HG2 ILE 87 38.922 29.074 24.192 1.00 0.00 H +ATOM 1443 CG1 ILE 87 37.490 29.840 21.940 1.00 0.00 C +ATOM 1444 1HG1 ILE 87 38.010 30.520 22.650 1.00 0.00 H +ATOM 1445 2HG1 ILE 87 37.690 30.260 20.930 1.00 0.00 H +ATOM 1446 CD ILE 87 35.970 29.640 22.080 1.00 0.00 C +ATOM 1447 HD1 ILE 87 35.670 29.182 23.048 1.00 0.00 H +ATOM 1448 HD2 ILE 87 35.510 30.648 22.170 1.00 0.00 H +ATOM 1449 HD3 ILE 87 35.538 29.128 21.196 1.00 0.00 H +ATOM 1450 C ILE 87 40.720 27.680 22.080 1.00 0.00 C +ATOM 1451 O ILE 87 41.560 28.010 22.980 1.00 0.00 O +ATOM 1452 N ARG 88 40.660 26.390 21.570 1.00 0.00 N +ATOM 1453 HN ARG 88 39.938 26.058 20.968 1.00 0.00 H +ATOM 1454 CA ARG 88 41.630 25.410 21.940 1.00 0.00 C +ATOM 1455 HA ARG 88 41.470 25.230 22.992 1.00 0.00 H +ATOM 1456 CB ARG 88 41.360 24.030 21.260 1.00 0.00 C +ATOM 1457 HB1 ARG 88 40.312 23.850 21.580 1.00 0.00 H +ATOM 1458 HB2 ARG 88 41.300 24.130 20.156 1.00 0.00 H +ATOM 1459 CG ARG 88 42.260 22.920 21.770 1.00 0.00 C +ATOM 1460 HG1 ARG 88 43.294 23.140 21.428 1.00 0.00 H +ATOM 1461 HG2 ARG 88 42.410 22.900 22.870 1.00 0.00 H +ATOM 1462 CD ARG 88 41.890 21.520 21.320 1.00 0.00 C +ATOM 1463 HD1 ARG 88 42.460 20.650 21.710 1.00 0.00 H +ATOM 1464 HD2 ARG 88 40.842 21.410 21.670 1.00 0.00 H +ATOM 1465 NE ARG 88 41.960 21.430 19.830 1.00 0.00 N +ATOM 1466 HE ARG 88 42.532 22.062 19.308 1.00 0.00 H +ATOM 1467 CZ ARG 88 41.320 20.390 19.130 1.00 0.00 C +ATOM 1468 NH1 ARG 88 40.680 19.420 19.730 1.00 0.00 N +ATOM 1469 1HH1 ARG 88 40.610 19.340 20.724 1.00 0.00 H +ATOM 1470 2HH1 ARG 88 40.112 18.732 19.280 1.00 0.00 H +ATOM 1471 NH2 ARG 88 41.450 20.310 17.810 1.00 0.00 N +ATOM 1472 1HH2 ARG 88 42.004 20.924 17.246 1.00 0.00 H +ATOM 1473 2HH2 ARG 88 41.130 19.430 17.460 1.00 0.00 H +ATOM 1474 C ARG 88 43.140 25.790 21.750 1.00 0.00 C +ATOM 1475 O ARG 88 43.910 25.680 22.680 1.00 0.00 O +ATOM 1476 N LYS 89 43.460 26.430 20.640 1.00 0.00 N +ATOM 1477 HN LYS 89 42.756 26.480 19.936 1.00 0.00 H +ATOM 1478 CA LYS 89 44.780 27.040 20.420 1.00 0.00 C +ATOM 1479 HA LYS 89 45.466 26.206 20.460 1.00 0.00 H +ATOM 1480 CB LYS 89 44.970 27.670 19.010 1.00 0.00 C +ATOM 1481 HB1 LYS 89 44.322 28.546 18.790 1.00 0.00 H +ATOM 1482 HB2 LYS 89 46.014 28.042 19.070 1.00 0.00 H +ATOM 1483 CG LYS 89 44.890 26.720 17.800 1.00 0.00 C +ATOM 1484 HG1 LYS 89 45.516 25.816 17.960 1.00 0.00 H +ATOM 1485 HG2 LYS 89 43.860 26.330 17.660 1.00 0.00 H +ATOM 1486 CD LYS 89 45.180 27.460 16.450 1.00 0.00 C +ATOM 1487 HD1 LYS 89 44.428 28.272 16.370 1.00 0.00 H +ATOM 1488 HD2 LYS 89 46.220 27.850 16.400 1.00 0.00 H +ATOM 1489 CE LYS 89 45.000 26.500 15.350 1.00 0.00 C +ATOM 1490 HE1 LYS 89 45.610 25.572 15.320 1.00 0.00 H +ATOM 1491 HE2 LYS 89 43.930 26.210 15.280 1.00 0.00 H +ATOM 1492 NZ LYS 89 45.180 27.290 14.050 1.00 0.00 N +ATOM 1493 HZ1 LYS 89 44.648 28.182 14.080 1.00 0.00 H +ATOM 1494 HZ2 LYS 89 46.156 27.638 13.970 1.00 0.00 H +ATOM 1495 HZ3 LYS 89 45.060 26.902 13.092 1.00 0.00 H +ATOM 1496 C LYS 89 45.220 28.020 21.410 1.00 0.00 C +ATOM 1497 O LYS 89 46.380 28.100 21.810 1.00 0.00 O +ATOM 1498 N VAL 90 44.250 28.850 21.920 1.00 0.00 N +ATOM 1499 HN VAL 90 43.386 28.970 21.438 1.00 0.00 H +ATOM 1500 CA VAL 90 44.480 29.720 23.070 1.00 0.00 C +ATOM 1501 HA VAL 90 45.382 30.282 22.880 1.00 0.00 H +ATOM 1502 CB VAL 90 43.350 30.800 23.200 1.00 0.00 C +ATOM 1503 HB VAL 90 42.440 30.350 23.650 1.00 0.00 H +ATOM 1504 CG1 VAL 90 43.910 31.880 24.130 1.00 0.00 C +ATOM 1505 1HG1 VAL 90 43.322 32.786 23.870 1.00 0.00 H +ATOM 1506 2HG1 VAL 90 43.920 31.690 25.226 1.00 0.00 H +ATOM 1507 3HG1 VAL 90 44.950 32.100 23.810 1.00 0.00 H +ATOM 1508 CG2 VAL 90 43.040 31.400 21.810 1.00 0.00 C +ATOM 1509 1HG2 VAL 90 42.408 30.648 21.290 1.00 0.00 H +ATOM 1510 2HG2 VAL 90 42.408 32.314 21.820 1.00 0.00 H +ATOM 1511 3HG2 VAL 90 43.974 31.540 21.224 1.00 0.00 H +ATOM 1512 C VAL 90 44.640 29.060 24.470 1.00 0.00 C +ATOM 1513 O VAL 90 45.560 29.380 25.190 1.00 0.00 O +ATOM 1514 N LEU 91 43.760 28.160 24.830 1.00 0.00 N +ATOM 1515 HN LEU 91 42.998 27.970 24.218 1.00 0.00 H +ATOM 1516 CA LEU 91 43.810 27.680 26.160 1.00 0.00 C +ATOM 1517 HA LEU 91 44.020 28.522 26.802 1.00 0.00 H +ATOM 1518 CB LEU 91 42.430 27.210 26.660 1.00 0.00 C +ATOM 1519 HB1 LEU 91 42.160 26.382 25.970 1.00 0.00 H +ATOM 1520 HB2 LEU 91 42.480 26.770 27.680 1.00 0.00 H +ATOM 1521 CG LEU 91 41.310 28.300 26.610 1.00 0.00 C +ATOM 1522 HG LEU 91 41.380 28.776 25.608 1.00 0.00 H +ATOM 1523 CD1 LEU 91 39.860 27.850 26.880 1.00 0.00 C +ATOM 1524 1HD1 LEU 91 39.178 28.722 26.780 1.00 0.00 H +ATOM 1525 2HD1 LEU 91 39.468 27.178 26.088 1.00 0.00 H +ATOM 1526 3HD1 LEU 91 39.810 27.460 27.920 1.00 0.00 H +ATOM 1527 CD2 LEU 91 41.630 29.560 27.530 1.00 0.00 C +ATOM 1528 1HD2 LEU 91 41.390 29.380 28.600 1.00 0.00 H +ATOM 1529 2HD2 LEU 91 42.632 30.012 27.370 1.00 0.00 H +ATOM 1530 3HD2 LEU 91 41.030 30.410 27.140 1.00 0.00 H +ATOM 1531 C LEU 91 44.880 26.660 26.420 1.00 0.00 C +ATOM 1532 O LEU 91 45.410 26.650 27.540 1.00 0.00 O +ATOM 1533 N GLN 92 45.390 25.970 25.330 1.00 0.00 N +ATOM 1534 HN GLN 92 44.868 25.800 24.498 1.00 0.00 H +ATOM 1535 CA GLN 92 46.680 25.340 25.280 1.00 0.00 C +ATOM 1536 HA GLN 92 46.710 24.582 26.048 1.00 0.00 H +ATOM 1537 CB GLN 92 46.840 24.780 23.830 1.00 0.00 C +ATOM 1538 HB1 GLN 92 46.670 25.632 23.138 1.00 0.00 H +ATOM 1539 HB2 GLN 92 47.890 24.420 23.780 1.00 0.00 H +ATOM 1540 CG GLN 92 45.930 23.520 23.550 1.00 0.00 C +ATOM 1541 HG1 GLN 92 46.130 22.628 24.182 1.00 0.00 H +ATOM 1542 HG2 GLN 92 44.872 23.850 23.620 1.00 0.00 H +ATOM 1543 CD GLN 92 46.150 23.120 22.070 1.00 0.00 C +ATOM 1544 OE1 GLN 92 45.980 23.870 21.120 1.00 0.00 O +ATOM 1545 NE2 GLN 92 46.730 21.970 21.850 1.00 0.00 N +ATOM 1546 1HE2 GLN 92 46.630 21.222 22.508 1.00 0.00 H +ATOM 1547 2HE2 GLN 92 46.920 21.790 20.884 1.00 0.00 H +ATOM 1548 C GLN 92 47.820 26.390 25.510 1.00 0.00 C +ATOM 1549 O GLN 92 48.750 26.100 26.230 1.00 0.00 O +ATOM 1550 N GLY 93 47.690 27.570 24.910 1.00 0.00 N +ATOM 1551 HN GLY 93 46.814 27.848 24.522 1.00 0.00 H +ATOM 1552 CA GLY 93 48.660 28.650 24.950 1.00 0.00 C +ATOM 1553 HA1 GLY 93 49.648 28.240 24.800 1.00 0.00 H +ATOM 1554 HA2 GLY 93 48.390 29.448 24.272 1.00 0.00 H +ATOM 1555 C GLY 93 48.840 29.240 26.360 1.00 0.00 C +ATOM 1556 O GLY 93 49.940 29.600 26.720 1.00 0.00 O +ATOM 1557 N LYS 94 47.720 29.210 27.160 1.00 0.00 N +ATOM 1558 HN LYS 94 46.806 29.060 26.792 1.00 0.00 H +ATOM 1559 CA LYS 94 47.780 29.630 28.570 1.00 0.00 C +ATOM 1560 HA LYS 94 48.440 30.480 28.670 1.00 0.00 H +ATOM 1561 CB LYS 94 46.350 30.050 29.020 1.00 0.00 C +ATOM 1562 HB1 LYS 94 45.740 29.132 29.160 1.00 0.00 H +ATOM 1563 HB2 LYS 94 46.552 30.392 30.056 1.00 0.00 H +ATOM 1564 CG LYS 94 45.610 31.140 28.280 1.00 0.00 C +ATOM 1565 HG1 LYS 94 45.230 30.650 27.358 1.00 0.00 H +ATOM 1566 HG2 LYS 94 44.838 31.642 28.902 1.00 0.00 H +ATOM 1567 CD LYS 94 46.480 32.350 27.900 1.00 0.00 C +ATOM 1568 HD1 LYS 94 47.070 32.750 28.752 1.00 0.00 H +ATOM 1569 HD2 LYS 94 47.114 31.958 27.076 1.00 0.00 H +ATOM 1570 CE LYS 94 45.730 33.540 27.190 1.00 0.00 C +ATOM 1571 HE1 LYS 94 45.150 33.220 26.298 1.00 0.00 H +ATOM 1572 HE2 LYS 94 45.068 34.102 27.882 1.00 0.00 H +ATOM 1573 NZ LYS 94 46.760 34.490 26.730 1.00 0.00 N +ATOM 1574 HZ1 LYS 94 47.522 34.580 27.432 1.00 0.00 H +ATOM 1575 HZ2 LYS 94 47.202 34.228 25.826 1.00 0.00 H +ATOM 1576 HZ3 LYS 94 46.328 35.422 26.570 1.00 0.00 H +ATOM 1577 C LYS 94 48.270 28.480 29.440 1.00 0.00 C +ATOM 1578 O LYS 94 48.930 28.780 30.440 1.00 0.00 O +ATOM 1579 N PHE 95 48.030 27.190 29.110 1.00 0.00 N +ATOM 1580 HN PHE 95 47.536 27.008 28.264 1.00 0.00 H +ATOM 1581 CA PHE 95 48.740 26.130 29.750 1.00 0.00 C +ATOM 1582 HA PHE 95 48.560 26.270 30.804 1.00 0.00 H +ATOM 1583 CB PHE 95 48.210 24.710 29.330 1.00 0.00 C +ATOM 1584 HB1 PHE 95 47.358 24.450 29.992 1.00 0.00 H +ATOM 1585 HB2 PHE 95 47.820 24.690 28.290 1.00 0.00 H +ATOM 1586 CG PHE 95 49.130 23.500 29.580 1.00 0.00 C +ATOM 1587 CD1 PHE 95 49.370 22.980 30.870 1.00 0.00 C +ATOM 1588 HD1 PHE 95 49.150 23.628 31.706 1.00 0.00 H +ATOM 1589 CE1 PHE 95 50.130 21.860 31.100 1.00 0.00 C +ATOM 1590 HE1 PHE 95 50.340 21.540 32.110 1.00 0.00 H +ATOM 1591 CZ PHE 95 50.770 21.220 30.040 1.00 0.00 C +ATOM 1592 HZ PHE 95 51.714 20.758 30.290 1.00 0.00 H +ATOM 1593 CD2 PHE 95 49.750 22.850 28.460 1.00 0.00 C +ATOM 1594 HD2 PHE 95 49.570 23.290 27.490 1.00 0.00 H +ATOM 1595 CE2 PHE 95 50.580 21.690 28.710 1.00 0.00 C +ATOM 1596 HE2 PHE 95 51.192 21.248 27.938 1.00 0.00 H +ATOM 1597 C PHE 95 50.280 26.160 29.740 1.00 0.00 C +ATOM 1598 O PHE 95 50.950 25.940 30.740 1.00 0.00 O +ATOM 1599 N HIS 96 50.900 26.500 28.590 1.00 0.00 N +ATOM 1600 HN HIS 96 50.390 26.380 27.742 1.00 0.00 H +ATOM 1601 CA HIS 96 52.320 26.770 28.460 1.00 0.00 C +ATOM 1602 HA HIS 96 52.960 26.140 29.060 1.00 0.00 H +ATOM 1603 CB HIS 96 52.750 26.520 26.940 1.00 0.00 C +ATOM 1604 HB1 HIS 96 52.178 27.182 26.258 1.00 0.00 H +ATOM 1605 HB2 HIS 96 53.776 26.928 26.810 1.00 0.00 H +ATOM 1606 ND1 HIS 96 52.170 24.770 25.340 1.00 0.00 N +ATOM 1607 CG HIS 96 52.720 25.090 26.570 1.00 0.00 C +ATOM 1608 CE1 HIS 96 52.410 23.500 25.130 1.00 0.00 C +ATOM 1609 HE1 HIS 96 52.390 23.062 24.132 1.00 0.00 H +ATOM 1610 NE2 HIS 96 53.030 22.980 26.210 1.00 0.00 N +ATOM 1611 HE2 HIS 96 53.220 22.040 26.490 1.00 0.00 H +ATOM 1612 CD2 HIS 96 53.210 23.990 27.150 1.00 0.00 C +ATOM 1613 HD2 HIS 96 53.692 23.880 28.114 1.00 0.00 H +ATOM 1614 C HIS 96 52.650 28.170 28.860 1.00 0.00 C +ATOM 1615 O HIS 96 53.830 28.560 28.970 1.00 0.00 O +ATOM 1616 N GLY 97 51.650 29.000 29.160 1.00 0.00 N +ATOM 1617 HN GLY 97 50.696 28.740 29.030 1.00 0.00 H +ATOM 1618 CA GLY 97 51.930 30.340 29.710 1.00 0.00 C +ATOM 1619 HA1 GLY 97 52.870 30.720 29.340 1.00 0.00 H +ATOM 1620 HA2 GLY 97 51.076 30.992 29.600 1.00 0.00 H +ATOM 1621 C GLY 97 52.000 30.370 31.210 1.00 0.00 C +ATOM 1622 O GLY 97 52.890 29.800 31.850 1.00 0.00 O +ATOM 1623 N ASN 98 50.990 31.000 31.850 1.00 0.00 N +ATOM 1624 HN ASN 98 50.238 31.422 31.348 1.00 0.00 H +ATOM 1625 CA ASN 98 50.780 30.950 33.300 1.00 0.00 C +ATOM 1626 HA ASN 98 51.496 30.304 33.784 1.00 0.00 H +ATOM 1627 CB ASN 98 51.000 32.420 33.930 1.00 0.00 C +ATOM 1628 HB1 ASN 98 52.064 32.682 33.750 1.00 0.00 H +ATOM 1629 HB2 ASN 98 50.518 33.152 33.248 1.00 0.00 H +ATOM 1630 CG ASN 98 50.520 32.710 35.290 1.00 0.00 C +ATOM 1631 OD1 ASN 98 49.370 33.100 35.570 1.00 0.00 O +ATOM 1632 ND2 ASN 98 51.410 32.470 36.250 1.00 0.00 N +ATOM 1633 1HD2 ASN 98 52.160 31.830 36.090 1.00 0.00 H +ATOM 1634 2HD2 ASN 98 51.230 32.660 37.216 1.00 0.00 H +ATOM 1635 C ASN 98 49.310 30.430 33.700 1.00 0.00 C +ATOM 1636 O ASN 98 48.410 31.210 33.490 1.00 0.00 O +ATOM 1637 N PRO 99 49.090 29.180 34.110 1.00 0.00 N +ATOM 1638 CD PRO 99 50.070 28.060 33.940 1.00 0.00 C +ATOM 1639 HD1 PRO 99 50.860 28.130 34.720 1.00 0.00 H +ATOM 1640 HD2 PRO 99 50.472 27.980 32.908 1.00 0.00 H +ATOM 1641 CA PRO 99 47.810 28.700 34.640 1.00 0.00 C +ATOM 1642 HA PRO 99 47.166 28.600 33.778 1.00 0.00 H +ATOM 1643 CB PRO 99 48.070 27.270 35.090 1.00 0.00 C +ATOM 1644 HB1 PRO 99 48.430 27.490 36.118 1.00 0.00 H +ATOM 1645 HB2 PRO 99 47.256 26.516 35.130 1.00 0.00 H +ATOM 1646 CG PRO 99 49.240 26.820 34.170 1.00 0.00 C +ATOM 1647 HG1 PRO 99 49.790 26.000 34.680 1.00 0.00 H +ATOM 1648 HG2 PRO 99 48.842 26.392 33.224 1.00 0.00 H +ATOM 1649 C PRO 99 47.000 29.520 35.540 1.00 0.00 C +ATOM 1650 O PRO 99 45.790 29.470 35.480 1.00 0.00 O +ATOM 1651 N MET 100 47.570 30.270 36.500 1.00 0.00 N +ATOM 1652 HN MET 100 48.560 30.350 36.420 1.00 0.00 H +ATOM 1653 CA MET 100 46.930 31.020 37.580 1.00 0.00 C +ATOM 1654 HA MET 100 46.258 30.338 38.082 1.00 0.00 H +ATOM 1655 CB MET 100 47.950 31.540 38.770 1.00 0.00 C +ATOM 1656 HB1 MET 100 48.770 32.060 38.230 1.00 0.00 H +ATOM 1657 HB2 MET 100 47.340 32.302 39.300 1.00 0.00 H +ATOM 1658 CG MET 100 48.500 30.390 39.650 1.00 0.00 C +ATOM 1659 HG1 MET 100 47.654 30.202 40.346 1.00 0.00 H +ATOM 1660 HG2 MET 100 48.580 29.472 39.030 1.00 0.00 H +ATOM 1661 SD MET 100 49.960 30.670 40.610 1.00 0.00 S +ATOM 1662 CE MET 100 49.510 31.940 41.750 1.00 0.00 C +ATOM 1663 HE1 MET 100 48.952 31.402 42.546 1.00 0.00 H +ATOM 1664 HE2 MET 100 50.404 32.422 42.202 1.00 0.00 H +ATOM 1665 HE3 MET 100 48.978 32.764 41.228 1.00 0.00 H +ATOM 1666 C MET 100 45.950 32.130 37.160 1.00 0.00 C +ATOM 1667 O MET 100 44.810 32.250 37.580 1.00 0.00 O +ATOM 1668 N HIS 101 46.400 32.900 36.130 1.00 0.00 N +ATOM 1669 HN HIS 101 47.280 32.710 35.700 1.00 0.00 H +ATOM 1670 CA HIS 101 45.770 34.020 35.520 1.00 0.00 C +ATOM 1671 HA HIS 101 45.660 34.810 36.250 1.00 0.00 H +ATOM 1672 CB HIS 101 46.580 34.510 34.280 1.00 0.00 C +ATOM 1673 HB1 HIS 101 47.654 34.670 34.518 1.00 0.00 H +ATOM 1674 HB2 HIS 101 46.520 33.872 33.372 1.00 0.00 H +ATOM 1675 ND1 HIS 101 46.210 36.450 32.620 1.00 0.00 N +ATOM 1676 CG HIS 101 45.990 35.870 33.860 1.00 0.00 C +ATOM 1677 CE1 HIS 101 45.560 37.600 32.580 1.00 0.00 C +ATOM 1678 HE1 HIS 101 45.600 38.162 31.648 1.00 0.00 H +ATOM 1679 NE2 HIS 101 44.840 37.790 33.700 1.00 0.00 N +ATOM 1680 HE2 HIS 101 44.072 38.398 33.900 1.00 0.00 H +ATOM 1681 CD2 HIS 101 45.130 36.680 34.520 1.00 0.00 C +ATOM 1682 HD2 HIS 101 44.538 36.430 35.392 1.00 0.00 H +ATOM 1683 C HIS 101 44.390 33.540 34.960 1.00 0.00 C +ATOM 1684 O HIS 101 43.420 34.290 35.040 1.00 0.00 O +ATOM 1685 N VAL 102 44.220 32.390 34.270 1.00 0.00 N +ATOM 1686 HN VAL 102 44.964 31.756 34.078 1.00 0.00 H +ATOM 1687 CA VAL 102 43.020 31.790 33.750 1.00 0.00 C +ATOM 1688 HA VAL 102 42.540 32.532 33.130 1.00 0.00 H +ATOM 1689 CB VAL 102 43.310 30.400 32.990 1.00 0.00 C +ATOM 1690 HB VAL 102 43.760 29.630 33.650 1.00 0.00 H +ATOM 1691 CG1 VAL 102 42.030 29.760 32.550 1.00 0.00 C +ATOM 1692 1HG1 VAL 102 41.594 29.244 33.432 1.00 0.00 H +ATOM 1693 2HG1 VAL 102 41.268 30.542 32.350 1.00 0.00 H +ATOM 1694 3HG1 VAL 102 42.240 29.062 31.712 1.00 0.00 H +ATOM 1695 CG2 VAL 102 44.190 30.570 31.760 1.00 0.00 C +ATOM 1696 1HG2 VAL 102 44.260 29.688 31.088 1.00 0.00 H +ATOM 1697 2HG2 VAL 102 43.818 31.394 31.116 1.00 0.00 H +ATOM 1698 3HG2 VAL 102 45.198 30.900 32.090 1.00 0.00 H +ATOM 1699 C VAL 102 42.090 31.540 34.910 1.00 0.00 C +ATOM 1700 O VAL 102 40.890 31.750 34.790 1.00 0.00 O +ATOM 1701 N ALA 103 42.580 31.090 36.120 1.00 0.00 N +ATOM 1702 HN ALA 103 43.536 30.862 36.290 1.00 0.00 H +ATOM 1703 CA ALA 103 41.720 30.850 37.300 1.00 0.00 C +ATOM 1704 HA ALA 103 40.862 30.330 36.900 1.00 0.00 H +ATOM 1705 CB ALA 103 42.200 29.750 38.250 1.00 0.00 C +ATOM 1706 HB1 ALA 103 43.214 29.810 38.702 1.00 0.00 H +ATOM 1707 HB2 ALA 103 41.422 29.600 39.028 1.00 0.00 H +ATOM 1708 HB3 ALA 103 42.190 28.842 37.610 1.00 0.00 H +ATOM 1709 C ALA 103 41.330 32.100 38.050 1.00 0.00 C +ATOM 1710 O ALA 103 40.300 32.120 38.730 1.00 0.00 O +ATOM 1711 N VAL 104 42.070 33.280 37.920 1.00 0.00 N +ATOM 1712 HN VAL 104 42.894 33.210 37.364 1.00 0.00 H +ATOM 1713 CA VAL 104 41.600 34.490 38.450 1.00 0.00 C +ATOM 1714 HA VAL 104 41.202 34.220 39.418 1.00 0.00 H +ATOM 1715 CB VAL 104 42.770 35.480 38.380 1.00 0.00 C +ATOM 1716 HB VAL 104 43.108 35.360 37.328 1.00 0.00 H +ATOM 1717 CG1 VAL 104 42.250 36.920 38.670 1.00 0.00 C +ATOM 1718 1HG1 VAL 104 41.606 37.352 37.876 1.00 0.00 H +ATOM 1719 2HG1 VAL 104 41.654 36.990 39.606 1.00 0.00 H +ATOM 1720 3HG1 VAL 104 43.114 37.574 38.912 1.00 0.00 H +ATOM 1721 CG2 VAL 104 43.790 34.970 39.360 1.00 0.00 C +ATOM 1722 1HG2 VAL 104 44.020 33.888 39.250 1.00 0.00 H +ATOM 1723 2HG2 VAL 104 44.804 35.338 39.092 1.00 0.00 H +ATOM 1724 3HG2 VAL 104 43.550 35.080 40.440 1.00 0.00 H +ATOM 1725 C VAL 104 40.480 35.040 37.610 1.00 0.00 C +ATOM 1726 O VAL 104 39.410 35.510 38.060 1.00 0.00 O +ATOM 1727 N VAL 105 40.680 34.990 36.290 1.00 0.00 N +ATOM 1728 HN VAL 105 41.530 34.620 35.920 1.00 0.00 H +ATOM 1729 CA VAL 105 39.710 35.430 35.280 1.00 0.00 C +ATOM 1730 HA VAL 105 39.520 36.480 35.440 1.00 0.00 H +ATOM 1731 CB VAL 105 40.340 35.220 33.910 1.00 0.00 C +ATOM 1732 HB VAL 105 40.868 34.242 33.880 1.00 0.00 H +ATOM 1733 CG1 VAL 105 39.250 35.390 32.780 1.00 0.00 C +ATOM 1734 1HG1 VAL 105 39.748 35.410 31.786 1.00 0.00 H +ATOM 1735 2HG1 VAL 105 38.684 34.436 32.710 1.00 0.00 H +ATOM 1736 3HG1 VAL 105 38.518 36.182 33.040 1.00 0.00 H +ATOM 1737 CG2 VAL 105 41.370 36.380 33.760 1.00 0.00 C +ATOM 1738 1HG2 VAL 105 41.942 36.250 32.816 1.00 0.00 H +ATOM 1739 2HG2 VAL 105 40.852 37.348 33.590 1.00 0.00 H +ATOM 1740 3HG2 VAL 105 42.052 36.480 34.632 1.00 0.00 H +ATOM 1741 C VAL 105 38.290 34.740 35.450 1.00 0.00 C +ATOM 1742 O VAL 105 37.270 35.500 35.540 1.00 0.00 O +ATOM 1743 N ILE 106 38.300 33.380 35.650 1.00 0.00 N +ATOM 1744 HN ILE 106 39.132 32.840 35.550 1.00 0.00 H +ATOM 1745 CA ILE 106 37.110 32.650 35.910 1.00 0.00 C +ATOM 1746 HA ILE 106 36.392 33.070 35.222 1.00 0.00 H +ATOM 1747 CB ILE 106 37.300 31.130 35.790 1.00 0.00 C +ATOM 1748 HB ILE 106 38.168 30.860 36.428 1.00 0.00 H +ATOM 1749 CG2 ILE 106 35.980 30.380 36.250 1.00 0.00 C +ATOM 1750 1HG2 ILE 106 35.880 30.370 37.356 1.00 0.00 H +ATOM 1751 2HG2 ILE 106 35.078 30.872 35.828 1.00 0.00 H +ATOM 1752 3HG2 ILE 106 36.050 29.282 36.100 1.00 0.00 H +ATOM 1753 CG1 ILE 106 37.780 30.720 34.430 1.00 0.00 C +ATOM 1754 1HG1 ILE 106 36.988 30.930 33.678 1.00 0.00 H +ATOM 1755 2HG1 ILE 106 38.622 31.332 34.040 1.00 0.00 H +ATOM 1756 CD ILE 106 38.230 29.270 34.310 1.00 0.00 C +ATOM 1757 HD1 ILE 106 37.562 28.642 34.938 1.00 0.00 H +ATOM 1758 HD2 ILE 106 38.170 28.922 33.256 1.00 0.00 H +ATOM 1759 HD3 ILE 106 39.280 29.100 34.630 1.00 0.00 H +ATOM 1760 C ILE 106 36.440 32.970 37.250 1.00 0.00 C +ATOM 1761 O ILE 106 35.250 33.180 37.410 1.00 0.00 O +ATOM 1762 N SER 107 37.250 32.990 38.330 1.00 0.00 N +ATOM 1763 HN SER 107 38.232 32.930 38.162 1.00 0.00 H +ATOM 1764 CA SER 107 36.780 33.320 39.700 1.00 0.00 C +ATOM 1765 HA SER 107 36.020 32.650 40.070 1.00 0.00 H +ATOM 1766 CB SER 107 37.980 33.390 40.690 1.00 0.00 C +ATOM 1767 HB1 SER 107 38.782 34.040 40.280 1.00 0.00 H +ATOM 1768 HB2 SER 107 37.648 33.762 41.684 1.00 0.00 H +ATOM 1769 OG SER 107 38.570 32.150 40.970 1.00 0.00 O +ATOM 1770 HG1 SER 107 38.922 31.788 40.154 1.00 0.00 H +ATOM 1771 C SER 107 36.070 34.690 39.800 1.00 0.00 C +ATOM 1772 O SER 107 34.960 34.760 40.280 1.00 0.00 O +ATOM 1773 N ASN 108 36.670 35.720 39.230 1.00 0.00 N +ATOM 1774 HN ASN 108 37.570 35.520 38.850 1.00 0.00 H +ATOM 1775 CA ASN 108 36.120 37.060 39.140 1.00 0.00 C +ATOM 1776 HA ASN 108 35.902 37.498 40.104 1.00 0.00 H +ATOM 1777 CB ASN 108 37.090 38.040 38.320 1.00 0.00 C +ATOM 1778 HB1 ASN 108 37.570 37.522 37.462 1.00 0.00 H +ATOM 1779 HB2 ASN 108 36.598 39.014 38.120 1.00 0.00 H +ATOM 1780 CG ASN 108 38.190 38.540 39.300 1.00 0.00 C +ATOM 1781 OD1 ASN 108 38.180 38.290 40.510 1.00 0.00 O +ATOM 1782 ND2 ASN 108 39.190 39.180 38.680 1.00 0.00 N +ATOM 1783 1HD2 ASN 108 39.210 39.570 37.760 1.00 0.00 H +ATOM 1784 2HD2 ASN 108 39.924 39.330 39.342 1.00 0.00 H +ATOM 1785 C ASN 108 34.740 37.130 38.440 1.00 0.00 C +ATOM 1786 O ASN 108 33.790 37.800 38.900 1.00 0.00 O +ATOM 1787 N CYS 109 34.610 36.510 37.270 1.00 0.00 N +ATOM 1788 HN CYS 109 35.436 36.082 36.912 1.00 0.00 H +ATOM 1789 CA CYS 109 33.390 36.420 36.470 1.00 0.00 C +ATOM 1790 HA CYS 109 32.952 37.394 36.310 1.00 0.00 H +ATOM 1791 CB CYS 109 33.750 35.790 35.080 1.00 0.00 C +ATOM 1792 HB1 CYS 109 34.650 36.310 34.690 1.00 0.00 H +ATOM 1793 HB2 CYS 109 34.040 34.720 35.150 1.00 0.00 H +ATOM 1794 SG CYS 109 32.520 36.040 33.780 1.00 0.00 S +ATOM 1795 HG1 CYS 109 31.594 35.194 34.208 1.00 0.00 H +ATOM 1796 C CYS 109 32.270 35.610 37.140 1.00 0.00 C +ATOM 1797 O CYS 109 31.060 35.890 37.020 1.00 0.00 O +ATOM 1798 N LEU 110 32.650 34.500 37.900 1.00 0.00 N +ATOM 1799 HN LEU 110 33.572 34.140 37.780 1.00 0.00 H +ATOM 1800 CA LEU 110 31.710 33.830 38.840 1.00 0.00 C +ATOM 1801 HA LEU 110 30.798 33.730 38.270 1.00 0.00 H +ATOM 1802 CB LEU 110 32.250 32.430 39.370 1.00 0.00 C +ATOM 1803 HB1 LEU 110 33.272 32.738 39.678 1.00 0.00 H +ATOM 1804 HB2 LEU 110 31.684 32.022 40.234 1.00 0.00 H +ATOM 1805 CG LEU 110 32.480 31.370 38.340 1.00 0.00 C +ATOM 1806 HG LEU 110 33.052 31.772 37.476 1.00 0.00 H +ATOM 1807 CD1 LEU 110 33.360 30.300 39.020 1.00 0.00 C +ATOM 1808 1HD1 LEU 110 32.790 29.770 39.812 1.00 0.00 H +ATOM 1809 2HD1 LEU 110 33.718 29.592 38.242 1.00 0.00 H +ATOM 1810 3HD1 LEU 110 34.310 30.670 39.460 1.00 0.00 H +ATOM 1811 CD2 LEU 110 31.210 30.750 37.920 1.00 0.00 C +ATOM 1812 1HD2 LEU 110 31.370 29.962 37.152 1.00 0.00 H +ATOM 1813 2HD2 LEU 110 30.730 30.310 38.820 1.00 0.00 H +ATOM 1814 3HD2 LEU 110 30.568 31.572 37.538 1.00 0.00 H +ATOM 1815 C LEU 110 31.290 34.660 40.000 1.00 0.00 C +ATOM 1816 O LEU 110 30.110 34.680 40.370 1.00 0.00 O +ATOM 1817 N ARG 111 32.170 35.420 40.650 1.00 0.00 N +ATOM 1818 HN ARG 111 33.076 35.430 40.232 1.00 0.00 H +ATOM 1819 CA ARG 111 31.930 36.340 41.760 1.00 0.00 C +ATOM 1820 HA ARG 111 31.250 35.800 42.400 1.00 0.00 H +ATOM 1821 CB ARG 111 33.270 36.860 42.380 1.00 0.00 C +ATOM 1822 HB1 ARG 111 33.990 36.020 42.470 1.00 0.00 H +ATOM 1823 HB2 ARG 111 33.612 37.622 41.648 1.00 0.00 H +ATOM 1824 CG ARG 111 32.960 37.570 43.690 1.00 0.00 C +ATOM 1825 HG1 ARG 111 32.190 38.370 43.630 1.00 0.00 H +ATOM 1826 HG2 ARG 111 32.618 36.808 44.422 1.00 0.00 H +ATOM 1827 CD ARG 111 34.220 38.200 44.310 1.00 0.00 C +ATOM 1828 HD1 ARG 111 34.870 37.370 44.660 1.00 0.00 H +ATOM 1829 HD2 ARG 111 34.810 38.860 43.640 1.00 0.00 H +ATOM 1830 NE ARG 111 33.720 38.990 45.520 1.00 0.00 N +ATOM 1831 HE ARG 111 32.834 38.828 45.954 1.00 0.00 H +ATOM 1832 CZ ARG 111 34.390 40.140 45.890 1.00 0.00 C +ATOM 1833 NH1 ARG 111 35.580 40.380 45.460 1.00 0.00 N +ATOM 1834 1HH1 ARG 111 36.092 39.738 44.888 1.00 0.00 H +ATOM 1835 2HH1 ARG 111 35.998 41.256 45.700 1.00 0.00 H +ATOM 1836 NH2 ARG 111 33.760 41.030 46.640 1.00 0.00 N +ATOM 1837 1HH2 ARG 111 32.928 40.880 47.172 1.00 0.00 H +ATOM 1838 2HH2 ARG 111 34.368 41.748 46.980 1.00 0.00 H +ATOM 1839 C ARG 111 30.930 37.470 41.250 1.00 0.00 C +ATOM 1840 O ARG 111 30.020 37.850 41.960 1.00 0.00 O +ATOM 1841 N GLU 112 31.190 37.990 40.010 1.00 0.00 N +ATOM 1842 HN GLU 112 32.038 37.750 39.542 1.00 0.00 H +ATOM 1843 CA GLU 112 30.310 38.960 39.320 1.00 0.00 C +ATOM 1844 HA GLU 112 30.240 39.812 39.980 1.00 0.00 H +ATOM 1845 CB GLU 112 30.940 39.340 37.910 1.00 0.00 C +ATOM 1846 HB1 GLU 112 31.948 39.710 38.200 1.00 0.00 H +ATOM 1847 HB2 GLU 112 30.970 38.512 37.170 1.00 0.00 H +ATOM 1848 CG GLU 112 30.190 40.480 37.230 1.00 0.00 C +ATOM 1849 HG1 GLU 112 30.530 40.630 36.182 1.00 0.00 H +ATOM 1850 HG2 GLU 112 29.108 40.240 37.150 1.00 0.00 H +ATOM 1851 CD GLU 112 30.340 41.810 37.980 1.00 0.00 C +ATOM 1852 OE1 GLU 112 31.070 41.880 39.040 1.00 0.00 O +ATOM 1853 OE2 GLU 112 29.820 42.850 37.510 1.00 0.00 O +ATOM 1854 C GLU 112 28.890 38.470 39.030 1.00 0.00 C +ATOM 1855 O GLU 112 27.940 39.140 39.260 1.00 0.00 O +ATOM 1856 N GLU 113 28.750 37.140 38.650 1.00 0.00 N +ATOM 1857 HN GLU 113 29.540 36.570 38.440 1.00 0.00 H +ATOM 1858 CA GLU 113 27.420 36.510 38.620 1.00 0.00 C +ATOM 1859 HA GLU 113 26.764 37.196 38.104 1.00 0.00 H +ATOM 1860 CB GLU 113 27.310 35.110 37.970 1.00 0.00 C +ATOM 1861 HB1 GLU 113 27.950 34.500 38.640 1.00 0.00 H +ATOM 1862 HB2 GLU 113 26.304 34.642 38.030 1.00 0.00 H +ATOM 1863 CG GLU 113 27.870 35.050 36.470 1.00 0.00 C +ATOM 1864 HG1 GLU 113 27.240 35.640 35.770 1.00 0.00 H +ATOM 1865 HG2 GLU 113 28.890 35.480 36.560 1.00 0.00 H +ATOM 1866 CD GLU 113 27.980 33.610 35.870 1.00 0.00 C +ATOM 1867 OE1 GLU 113 27.750 32.650 36.620 1.00 0.00 O +ATOM 1868 OE2 GLU 113 28.470 33.500 34.750 1.00 0.00 O +ATOM 1869 C GLU 113 26.610 36.460 39.900 1.00 0.00 C +ATOM 1870 O GLU 113 25.440 36.910 39.870 1.00 0.00 O +ATOM 1871 N ARG 114 27.280 36.080 41.050 1.00 0.00 N +ATOM 1872 HN ARG 114 28.228 35.780 40.960 1.00 0.00 H +ATOM 1873 CA ARG 114 26.720 36.260 42.340 1.00 0.00 C +ATOM 1874 HA ARG 114 25.738 35.810 42.370 1.00 0.00 H +ATOM 1875 CB ARG 114 27.650 35.640 43.380 1.00 0.00 C +ATOM 1876 HB1 ARG 114 28.622 36.162 43.250 1.00 0.00 H +ATOM 1877 HB2 ARG 114 27.300 35.850 44.412 1.00 0.00 H +ATOM 1878 CG ARG 114 27.830 34.150 43.120 1.00 0.00 C +ATOM 1879 HG1 ARG 114 26.856 33.688 42.850 1.00 0.00 H +ATOM 1880 HG2 ARG 114 28.478 33.980 42.232 1.00 0.00 H +ATOM 1881 CD ARG 114 28.600 33.420 44.230 1.00 0.00 C +ATOM 1882 HD1 ARG 114 27.926 33.642 45.084 1.00 0.00 H +ATOM 1883 HD2 ARG 114 28.710 32.322 44.100 1.00 0.00 H +ATOM 1884 NE ARG 114 29.870 34.020 44.550 1.00 0.00 N +ATOM 1885 HE ARG 114 29.940 34.736 45.246 1.00 0.00 H +ATOM 1886 CZ ARG 114 31.110 33.610 44.160 1.00 0.00 C +ATOM 1887 NH1 ARG 114 31.240 32.890 43.050 1.00 0.00 N +ATOM 1888 1HH1 ARG 114 30.414 32.528 42.618 1.00 0.00 H +ATOM 1889 2HH1 ARG 114 32.140 32.480 42.900 1.00 0.00 H +ATOM 1890 NH2 ARG 114 32.230 33.910 44.760 1.00 0.00 N +ATOM 1891 1HH2 ARG 114 32.150 34.484 45.574 1.00 0.00 H +ATOM 1892 2HH2 ARG 114 32.998 33.630 44.182 1.00 0.00 H +ATOM 1893 C ARG 114 26.270 37.720 42.710 1.00 0.00 C +ATOM 1894 O ARG 114 25.170 37.900 43.190 1.00 0.00 O +ATOM 1895 N ARG 115 27.080 38.750 42.310 1.00 0.00 N +ATOM 1896 HN ARG 115 27.964 38.468 41.948 1.00 0.00 H +ATOM 1897 CA ARG 115 26.880 40.140 42.640 1.00 0.00 C +ATOM 1898 HA ARG 115 26.680 40.170 43.700 1.00 0.00 H +ATOM 1899 CB ARG 115 28.130 40.940 42.190 1.00 0.00 C +ATOM 1900 HB1 ARG 115 29.052 40.578 42.692 1.00 0.00 H +ATOM 1901 HB2 ARG 115 28.250 40.870 41.088 1.00 0.00 H +ATOM 1902 CG ARG 115 28.060 42.420 42.590 1.00 0.00 C +ATOM 1903 HG1 ARG 115 27.082 42.890 42.350 1.00 0.00 H +ATOM 1904 HG2 ARG 115 28.130 42.420 43.698 1.00 0.00 H +ATOM 1905 CD ARG 115 29.080 43.320 41.920 1.00 0.00 C +ATOM 1906 HD1 ARG 115 29.120 44.340 42.360 1.00 0.00 H +ATOM 1907 HD2 ARG 115 30.132 42.962 41.960 1.00 0.00 H +ATOM 1908 NE ARG 115 28.750 43.480 40.480 1.00 0.00 N +ATOM 1909 HE ARG 115 29.250 43.060 39.722 1.00 0.00 H +ATOM 1910 CZ ARG 115 27.890 44.360 40.010 1.00 0.00 C +ATOM 1911 NH1 ARG 115 27.000 44.970 40.670 1.00 0.00 N +ATOM 1912 1HH1 ARG 115 27.060 44.840 41.660 1.00 0.00 H +ATOM 1913 2HH1 ARG 115 26.256 45.452 40.208 1.00 0.00 H +ATOM 1914 NH2 ARG 115 27.750 44.390 38.720 1.00 0.00 N +ATOM 1915 1HH2 ARG 115 28.308 43.812 38.122 1.00 0.00 H +ATOM 1916 2HH2 ARG 115 27.124 45.066 38.336 1.00 0.00 H +ATOM 1917 C ARG 115 25.740 40.560 41.890 1.00 0.00 C +ATOM 1918 O ARG 115 24.860 41.240 42.380 1.00 0.00 O +ATOM 1919 N ILE 116 25.650 40.130 40.570 1.00 0.00 N +ATOM 1920 HN ILE 116 26.424 39.644 40.172 1.00 0.00 H +ATOM 1921 CA ILE 116 24.620 40.490 39.630 1.00 0.00 C +ATOM 1922 HA ILE 116 24.410 41.550 39.660 1.00 0.00 H +ATOM 1923 CB ILE 116 24.970 40.320 38.090 1.00 0.00 C +ATOM 1924 HB ILE 116 25.340 39.282 37.940 1.00 0.00 H +ATOM 1925 CG2 ILE 116 23.720 40.620 37.250 1.00 0.00 C +ATOM 1926 1HG2 ILE 116 23.380 41.628 37.570 1.00 0.00 H +ATOM 1927 2HG2 ILE 116 23.958 40.670 36.166 1.00 0.00 H +ATOM 1928 3HG2 ILE 116 22.880 39.900 37.360 1.00 0.00 H +ATOM 1929 CG1 ILE 116 26.140 41.290 37.750 1.00 0.00 C +ATOM 1930 1HG1 ILE 116 25.660 42.258 38.010 1.00 0.00 H +ATOM 1931 2HG1 ILE 116 27.038 41.210 38.398 1.00 0.00 H +ATOM 1932 CD ILE 116 26.590 41.430 36.310 1.00 0.00 C +ATOM 1933 HD1 ILE 116 27.140 40.500 36.050 1.00 0.00 H +ATOM 1934 HD2 ILE 116 25.768 41.630 35.588 1.00 0.00 H +ATOM 1935 HD3 ILE 116 27.372 42.212 36.220 1.00 0.00 H +ATOM 1936 C ILE 116 23.270 39.970 39.960 1.00 0.00 C +ATOM 1937 O ILE 116 22.220 40.600 39.980 1.00 0.00 O +ATOM 1938 N LEU 117 23.330 38.650 40.310 1.00 0.00 N +ATOM 1939 HN LEU 117 24.174 38.128 40.410 1.00 0.00 H +ATOM 1940 CA LEU 117 22.180 37.970 40.820 1.00 0.00 C +ATOM 1941 HA LEU 117 21.408 38.050 40.068 1.00 0.00 H +ATOM 1942 CB LEU 117 22.500 36.430 41.010 1.00 0.00 C +ATOM 1943 HB1 LEU 117 23.578 36.400 41.280 1.00 0.00 H +ATOM 1944 HB2 LEU 117 21.958 35.918 41.834 1.00 0.00 H +ATOM 1945 CG LEU 117 22.440 35.530 39.750 1.00 0.00 C +ATOM 1946 HG LEU 117 23.060 36.020 38.970 1.00 0.00 H +ATOM 1947 CD1 LEU 117 23.010 34.100 40.090 1.00 0.00 C +ATOM 1948 1HD1 LEU 117 23.992 34.300 40.570 1.00 0.00 H +ATOM 1949 2HD1 LEU 117 22.272 33.570 40.730 1.00 0.00 H +ATOM 1950 3HD1 LEU 117 23.280 33.472 39.214 1.00 0.00 H +ATOM 1951 CD2 LEU 117 20.960 35.420 39.210 1.00 0.00 C +ATOM 1952 1HD2 LEU 117 20.532 36.444 39.270 1.00 0.00 H +ATOM 1953 2HD2 LEU 117 20.790 34.998 38.196 1.00 0.00 H +ATOM 1954 3HD2 LEU 117 20.360 34.780 39.890 1.00 0.00 H +ATOM 1955 C LEU 117 21.630 38.540 42.140 1.00 0.00 C +ATOM 1956 O LEU 117 20.420 38.610 42.260 1.00 0.00 O +ATOM 1957 N ALA 118 22.460 38.950 43.090 1.00 0.00 N +ATOM 1958 HN ALA 118 23.442 38.860 42.940 1.00 0.00 H +ATOM 1959 CA ALA 118 22.050 39.620 44.360 1.00 0.00 C +ATOM 1960 HA ALA 118 21.292 39.012 44.830 1.00 0.00 H +ATOM 1961 CB ALA 118 23.300 39.600 45.260 1.00 0.00 C +ATOM 1962 HB1 ALA 118 24.226 39.988 44.782 1.00 0.00 H +ATOM 1963 HB2 ALA 118 23.270 40.334 46.094 1.00 0.00 H +ATOM 1964 HB3 ALA 118 23.490 38.586 45.672 1.00 0.00 H +ATOM 1965 C ALA 118 21.460 40.980 44.120 1.00 0.00 C +ATOM 1966 O ALA 118 20.460 41.400 44.690 1.00 0.00 O +ATOM 1967 N ALA 119 22.000 41.750 43.160 1.00 0.00 N +ATOM 1968 HN ALA 119 22.802 41.368 42.708 1.00 0.00 H +ATOM 1969 CA ALA 119 21.460 43.120 42.840 1.00 0.00 C +ATOM 1970 HA ALA 119 21.190 43.530 43.802 1.00 0.00 H +ATOM 1971 CB ALA 119 22.550 43.980 42.150 1.00 0.00 C +ATOM 1972 HB1 ALA 119 23.428 43.940 42.830 1.00 0.00 H +ATOM 1973 HB2 ALA 119 22.832 43.488 41.196 1.00 0.00 H +ATOM 1974 HB3 ALA 119 22.120 44.990 41.980 1.00 0.00 H +ATOM 1975 C ALA 119 20.170 43.110 41.950 1.00 0.00 C +ATOM 1976 O ALA 119 19.530 44.110 41.940 1.00 0.00 O +ATOM 1977 N ALA 120 19.800 41.990 41.270 1.00 0.00 N +ATOM 1978 HN ALA 120 20.524 41.306 41.210 1.00 0.00 H +ATOM 1979 CA ALA 120 18.610 41.930 40.450 1.00 0.00 C +ATOM 1980 HA ALA 120 18.780 42.742 39.758 1.00 0.00 H +ATOM 1981 CB ALA 120 18.390 40.610 39.680 1.00 0.00 C +ATOM 1982 HB1 ALA 120 17.612 40.710 38.892 1.00 0.00 H +ATOM 1983 HB2 ALA 120 19.298 40.250 39.150 1.00 0.00 H +ATOM 1984 HB3 ALA 120 18.040 39.840 40.400 1.00 0.00 H +ATOM 1985 C ALA 120 17.310 42.210 41.210 1.00 0.00 C +ATOM 1986 O ALA 120 17.090 41.710 42.310 1.00 0.00 O +ATOM 1987 N ASN 121 16.380 42.990 40.630 1.00 0.00 N +ATOM 1988 HN ASN 121 16.500 43.350 39.708 1.00 0.00 H +ATOM 1989 CA ASN 121 15.030 43.220 41.070 1.00 0.00 C +ATOM 1990 HA ASN 121 15.070 43.240 42.150 1.00 0.00 H +ATOM 1991 CB ASN 121 14.400 44.580 40.610 1.00 0.00 C +ATOM 1992 HB1 ASN 121 14.290 44.650 39.508 1.00 0.00 H +ATOM 1993 HB2 ASN 121 13.414 44.510 41.118 1.00 0.00 H +ATOM 1994 CG ASN 121 15.180 45.870 40.970 1.00 0.00 C +ATOM 1995 OD1 ASN 121 16.010 45.920 41.800 1.00 0.00 O +ATOM 1996 ND2 ASN 121 15.000 47.000 40.190 1.00 0.00 N +ATOM 1997 1HD2 ASN 121 14.228 47.070 39.558 1.00 0.00 H +ATOM 1998 2HD2 ASN 121 15.606 47.786 40.320 1.00 0.00 H +ATOM 1999 C ASN 121 14.120 42.050 40.600 1.00 0.00 C +ATOM 2000 O ASN 121 14.060 41.540 39.510 1.00 0.00 O +ATOM 2001 N MET 122 13.360 41.600 41.570 1.00 0.00 N +ATOM 2002 HN MET 122 13.500 41.942 42.496 1.00 0.00 H +ATOM 2003 CA MET 122 12.580 40.410 41.580 1.00 0.00 C +ATOM 2004 HA MET 122 12.370 40.110 40.564 1.00 0.00 H +ATOM 2005 CB MET 122 13.250 39.170 42.250 1.00 0.00 C +ATOM 2006 HB1 MET 122 13.160 39.060 43.352 1.00 0.00 H +ATOM 2007 HB2 MET 122 12.688 38.258 41.960 1.00 0.00 H +ATOM 2008 CG MET 122 14.750 39.080 41.830 1.00 0.00 C +ATOM 2009 HG1 MET 122 14.850 39.070 40.724 1.00 0.00 H +ATOM 2010 HG2 MET 122 15.290 39.930 42.300 1.00 0.00 H +ATOM 2011 SD MET 122 15.480 37.480 42.390 1.00 0.00 S +ATOM 2012 CE MET 122 14.540 36.340 41.320 1.00 0.00 C +ATOM 2013 HE1 MET 122 13.456 36.560 41.430 1.00 0.00 H +ATOM 2014 HE2 MET 122 14.750 36.460 40.236 1.00 0.00 H +ATOM 2015 HE3 MET 122 14.580 35.274 41.632 1.00 0.00 H +ATOM 2016 C MET 122 11.250 40.640 42.320 1.00 0.00 C +ATOM 2017 O MET 122 11.310 41.360 43.360 1.00 0.00 O +ATOM 2018 N PRO 123 10.100 40.160 41.880 1.00 0.00 N +ATOM 2019 CD PRO 123 9.960 39.460 40.580 1.00 0.00 C +ATOM 2020 HD1 PRO 123 10.460 38.480 40.740 1.00 0.00 H +ATOM 2021 HD2 PRO 123 10.500 39.930 39.730 1.00 0.00 H +ATOM 2022 CA PRO 123 8.920 40.150 42.670 1.00 0.00 C +ATOM 2023 HA PRO 123 8.790 41.002 43.322 1.00 0.00 H +ATOM 2024 CB PRO 123 7.870 40.070 41.450 1.00 0.00 C +ATOM 2025 HB1 PRO 123 6.826 39.740 41.640 1.00 0.00 H +ATOM 2026 HB2 PRO 123 7.890 41.134 41.130 1.00 0.00 H +ATOM 2027 CG PRO 123 8.470 39.260 40.320 1.00 0.00 C +ATOM 2028 HG1 PRO 123 8.230 38.198 40.540 1.00 0.00 H +ATOM 2029 HG2 PRO 123 8.200 39.400 39.252 1.00 0.00 H +ATOM 2030 C PRO 123 8.740 38.950 43.600 1.00 0.00 C +ATOM 2031 O PRO 123 9.370 37.900 43.300 1.00 0.00 O +ATOM 2032 N ILE 124 8.050 39.220 44.760 1.00 0.00 N +ATOM 2033 HN ILE 124 7.760 40.142 45.000 1.00 0.00 H +ATOM 2034 CA ILE 124 7.990 38.280 45.910 1.00 0.00 C +ATOM 2035 HA ILE 124 8.870 37.660 45.820 1.00 0.00 H +ATOM 2036 CB ILE 124 8.250 39.000 47.260 1.00 0.00 C +ATOM 2037 HB ILE 124 7.590 39.890 47.350 1.00 0.00 H +ATOM 2038 CG2 ILE 124 7.940 38.120 48.490 1.00 0.00 C +ATOM 2039 1HG2 ILE 124 6.884 37.812 48.650 1.00 0.00 H +ATOM 2040 2HG2 ILE 124 8.604 37.236 48.390 1.00 0.00 H +ATOM 2041 3HG2 ILE 124 8.350 38.750 49.310 1.00 0.00 H +ATOM 2042 CG1 ILE 124 9.690 39.540 47.400 1.00 0.00 C +ATOM 2043 1HG1 ILE 124 9.690 40.378 46.672 1.00 0.00 H +ATOM 2044 2HG1 ILE 124 9.810 40.082 48.362 1.00 0.00 H +ATOM 2045 CD ILE 124 10.880 38.580 47.070 1.00 0.00 C +ATOM 2046 HD1 ILE 124 11.750 38.750 47.740 1.00 0.00 H +ATOM 2047 HD2 ILE 124 10.510 37.538 47.180 1.00 0.00 H +ATOM 2048 HD3 ILE 124 11.188 38.680 46.006 1.00 0.00 H +ATOM 2049 C ILE 124 6.590 37.510 45.910 1.00 0.00 C +ATOM 2050 OT1 ILE 124 6.450 36.330 45.620 1.00 0.00 O +ATOM 2051 OT2 ILE 124 5.580 38.250 46.230 1.00 0.00 O +TER +ENDMDL diff --git a/data/PDBs/paths.pdb_list b/data/PDBs/paths.pdb_list new file mode 100644 index 0000000000000000000000000000000000000000..4a1fd7f3f7b2822e0b09532dfd9a6fde3267156c --- /dev/null +++ b/data/PDBs/paths.pdb_list @@ -0,0 +1,10 @@ +/scratch/project_465001401/Flexpert-nD/data/PDBs/1a62_A.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1ab1_A.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1ah7_A.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1ail_A.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1aol_A.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1b25_D.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1b2s_E.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1b2s_F.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1b8d_K.pdb +/scratch/project_465001401/Flexpert-nD/data/PDBs/1bgf_A.pdb diff --git a/data/atlas_minimized_fluctuations_ANM.jsonl b/data/atlas_minimized_fluctuations_ANM.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..7a3ada8ec46f11fa57707a33d66db05e29f81b94 --- /dev/null +++ b/data/atlas_minimized_fluctuations_ANM.jsonl @@ -0,0 +1,1390 @@ +{"pdb_name": "2ycl_A", "fluctuations": [0.717517433401149, 0.6077949239733919, 0.6471318291747213, 0.7120711610910208, 0.664775656277566, 0.7284768989202446, 0.6882341541633991, 0.582031035540367, 0.6235267974701424, 0.69210199630886, 0.6384471842327949, 0.624352352021413, 0.7080397809316525, 0.7717562321987955, 0.8427747154062493, 0.8406135167148794, 0.910877536708189, 0.8557777611422226, 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"GPDGMAALSLPLPISAGRGYAPAFTLNYNSGAGNSPFGLGWDCNVMTIRRRTHFGVPHYDETDTFLGPEGEVLVVADQPRDESTLQGINLGATFTVTGYRSRLESHFSRLEYWQPKTTGKTDFWLIYSPDGQVHLLGKSPQARISNPSQTTQTAQWLLEASVSSRGEQIYYQYRAEDDTGCEADEITHHLQATAQRYLHIVYYGNRTASETLPGLDGSAPSQADWLFYLVFDYGERSNNLKTPPAFSTTGSWLCRQDRFSRYEYGFEIRTRRLCRQVLMYHHLQALDSKITEHNGPTLVSRLILNYDESAIASTLVFVRRVGHEQDGNVVTLPPLELAYQDFSPRHHAHWQPMDVLANFNAIQRWQLVDLKGEGLPGLLYQDKGAWWYRSAQRLGEIGSDAVTWEKMQPLSVIPSLQSNASLVDINGDGQLDWVITGPGLRGYHSQRPDGSWTRFTPLNALPVEYTHPRAQLADLMGAGLSDLVLIGPKSVRLYANTRDGFAKGKDVVQSGDITLPVPGADPRKLVAFSDVLGSGQAHLVEVSATKVTCWPNLGRGRFGQPITLPGFSQPATEFNPAQVYLADLDGSGPTDLIYVHTNRLDIFLNKSGNGFAEPVTLRFPEGLRFDHTCQLQMADVQGLGVASLILSVPHMSPHHWRCDLTNMKPWLLNEMNNNMGVHHTLRYRSSSQFWLDEKAAALTTGQTPVCYLPFPIHTLWQTETEDEISGNKLVTTLRYARGAWDGREREFRGFGYVEQTDSHQLAQGNAPERTPPALTKNWYATGLPVIDNALSTEYWRDDQAFAGFSPRFTTWQDNKDVPLTPEDDNSRYWFNRALKGQLLRSELYGLDDSTNKHVPYTVTEFRSQVRRLQHTDSRYPVLWSSVVESRNYHYERIASDPQCSQNITLSSDRFGQPLKQLSVQYPRRQQPAINLYPDTLPDKLLANSYDDQQRQLRLTYQQSSWHHLTNNTVRVLGLPDSTRSDIFTYVAENVPAGGLNLELLSDKNSLIADDKPREYLGQQKTAYTDGQNTTPLQTPTRQALIAFTETTVFNQSTLSAFNGSIPSDKLSTTLEQAGYQQTNYLFPRTGEDKVWVAHHGYTDYGTAAQFWRPQKQSNTQLTGKITLIWDANYCVVVQTRDAAGLTTSAKYDWRFLTPVQLTDINDNQHLITLDALGRPITLRFWGTENGKMTGYSSPEKASFSPPSDVNAAIELKKPLPVAQCQVYAPESWMPVLSQKTFNRLAEQDWQKLYNARIITEDGRICTLAYRRWVQSQKAIPQLISLLNNGPRLPPHSLTLTTDRYDHDPEQQIRQQVVFSDGFGRLLQAAARHEAGMARQRNEDGSLIINVQHTENRWAVTGRTEYDNKGQPIRTYQPYFLNDWRYVSNDSARQEKEAYADTHVYDPIGREIKVITAKGWFRRTLFTPWFTVNEDENDTAAEVKKIDPKLYQKTPTVSVYDNRGLIIRNIDFHRTTANGDPDTRITRHQYDIHGHLNQSIDPRLYEAKQTNNTIKPNFLWQYDLTGNPLCTESIDAGRTVTLNDIEGRPLLTVTATGVIQTRQYETSSLPGRLLSVAEQTPEEKTSRITERLIWAGNTEAEKDHNLAGQCVRHYDTAGVTRLESLSLTGTVLSQSSQLLIDTQEANWTGDNETVWQNMLADDIYTTLSTFDATGALLTQTDAKGNIQRLAYDVAGQLNGSWLTLKGQTEQVIIKSLTYSAAGQKLREEHGNDVITEYSYEPETQRLIGIKTRRPSDTKVLQDLRYEYDPVGNVISIRNDAEATRFWHNQKVMPENTYTYDSLYQLISATGREMANIGQQSHQFPSPALPSDNNTYTNYTRTYTYDRGGNLTKIQHSSPATQNNYTTNITVSNRSNRAVLSTLTEDPAQVDALFDAGGHQNTLISGQNLNWNTRGELQQVTLVKRDKGANDDREWYRYSGDGRRMLKINEQQASNNAQTQRVTYLPNLELRLTQNSTATTEDLQVITVGEAGRAQVRVLHWESGKPEDIDNNQLRYSYDNLIGSSQLELDSEGQIISEEEYYPYGGTALWAARNQTEASYKTIRYSGKERDATGLYYYGYRYYQPWIGRWLSSDPAGTIDGLNLYRMVRNNPVTLLDPDGLNVFDEAILAALEP"} 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0.2974942468404891, 0.3146153425426135, 0.3429570212064954, 0.38502211969747496, 0.45946433716393376, 0.5111536614535851, 0.4993008026671413, 0.47996096625175066, 0.4311246327866585, 0.39945737741759174, 0.4385996107033935, 0.4878412650859823, 0.44934572208711065, 0.36443453136235104, 0.4036944599274235, 0.436031055716091, 0.403223718795281, 0.3391016095491356, 0.3773159021299256, 0.3804967431564611, 0.3527245618230363, 0.34716144895349527, 0.3914250535330327, 0.3787167431569546, 0.3576832552308357, 0.38894214433270413, 0.4270310256487286, 0.4143834578385906, 0.42514521504846675, 0.5307644171035386, 0.5563832833801889, 0.5234162719259969, 0.6395113808128722, 0.8114484202477431, 0.8772271964413936, 1.2373766718094643], "sequence": "MHALHFSASDKAALYREVLPQIESVVADETDWVANLANTAAVLKEAFGWFWVGFYLVDTRSDELVLAPFQGPLACTRIPFGRGVCGQAWAKGGTVVVGDVDAHPDHIACSSLSRSEIVVPLFSDGRCIGVLDADSEHLAQFDETDALYLGELAKILEKRFEASRQAV"} +{"pdb_name": "4zav_A", "fluctuations": [0.7568843169196059, 0.7073911556004525, 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0.5010326491472575, 0.5597673210096037, 0.4772861113597831, 0.5514238543147315, 0.5387454791266442, 0.5740611215795427, 0.49952855898343107, 0.5811214249347187, 0.6108968815040067, 0.46101382961238707, 0.48920882797540893, 0.5756852576470887, 0.5072835955107973, 0.42201238793104573, 0.49143950759474053, 0.5434224309207892, 0.4572184631320948, 0.45485855911422535, 0.5747355036542771, 0.5133047448458916, 0.5938064336117893, 0.6251637522152488, 0.5543023481510158, 0.48107082563523007, 0.43541505969822913, 0.4131630071479595, 0.4066419564231376, 0.4419678607788384, 0.5045535017173226, 0.45587063325526783, 0.5255437380131204, 0.5633563358509532, 0.6090107645115043, 0.653558784196393, 0.5028291844118987, 0.4961970861382794, 0.4563444496498988, 0.4952212314378489, 0.563019099534721, 0.6145675956477121, 0.7309404076014108, 0.5978761642536877, 0.5864052479631034, 0.5563427877800595, 0.45755251058674884, 0.4268406759440347, 0.3765253209478471, 0.3419546214309467, 0.32912137652693274, 0.33887324313150013, 0.3509364979618373, 0.35723181474037713, 0.3948991394146912, 0.44238020484292473, 0.43314765897679125, 0.3917958372050275, 0.4213616193452056, 0.4633304911443208, 0.4384153375187933, 0.4338377441479215, 0.496432164513366, 0.5738100620945511, 0.535445820067229, 0.5804564768688897, 0.5046788144358091, 0.5262159551379522, 0.46309950256289334, 0.4197995055795659, 0.3783880688438413, 0.3950108288911276, 0.4380697038722953, 0.41126254343656077, 0.4016784556491259, 0.4548564683038074, 0.48863825624655255, 0.46823855373217893, 0.5280901762237403, 0.6069111553842012, 0.6227430634129099, 0.6002827029303265, 0.5310647064598086, 0.48473272514584537, 0.4228211100610694, 0.40238416129323246, 0.3838250937348117, 0.3950396963918953, 0.4218993924194013, 0.44837247807157327, 0.5472638845885978, 0.7107509540992256, 0.8262206604273012, 0.6795620295098338, 0.7612283583935251, 0.8281843284306191, 0.6901523128657868, 0.5773539226083749, 0.635088778869586, 0.6697781048774879, 0.561485400467458, 0.5362486874431377, 0.6493030014987446, 0.6228682120510115, 0.5347996599022181, 0.5894144733195366, 0.7271204208263251, 0.6601635285496802, 0.6188210654073862, 0.505916624329266, 0.5001023680336534, 0.4790156031200849, 0.47529881917602174, 0.4880974632736698, 0.46505486690993025, 0.5537696943973112, 0.5655512008192173, 0.6535573484365526, 0.7564524347910192, 0.8046402343529248, 0.790858809185041, 0.8709716559780468, 0.78460026271868, 1.0105252393185025, 0.8794112348916221, 0.6842345374092608, 0.5666013528128405, 0.612814302456051, 0.5504761497567131, 0.4779144829480698, 0.4859696694929812, 0.5160665564792618, 0.4700218130847853, 0.4232851353342767, 0.4729938377991644, 0.49047140810261675, 0.43988939412824285, 0.4588039533030964, 0.5226472541921521, 0.5100631507685346, 0.48538648975539683, 0.5511670656840713, 0.5342111457671609, 0.6044809144743007, 0.578860799433543, 0.5916134095220922, 0.5502104632821033, 0.5978110732864342, 0.6977647617124435, 0.8218538991256865, 0.8705017574703945, 1.1041266393213254, 1.3766977906922755, 2.073398883286377, 2.057722649390559, 3.076485843764468, 3.92226715317648, 4.6196977528364025, 6.365283834088182, 7.975905977590163], "sequence": "MSGPERITLAMTGASGAQYGLRLLDCLVQEEREVHFLISKAAQLVMATETDVALPAKPQAMQAFLTEYCGAAAGQIRVFGQNDWMAPPASGSSAPNAMVICPCSTGTLSAVATGACNNLIERAADVALKERRPLVLVPREAPFSSIHLENMLKLSNLGAVILPAAPGFYHQPQSVEDLVDFVVARILNTLGIPQDMLPRWGEQHLVSDE"} \ No newline at end of file diff --git a/data/atlas_sequences.fasta b/data/atlas_sequences.fasta new file mode 100644 index 0000000000000000000000000000000000000000..5f7bd5e931f327571b7f35de8b29f58b43e5ac49 --- /dev/null +++ b/data/atlas_sequences.fasta @@ -0,0 +1,2780 @@ +>1k5n.A +GSHSMRYFHTSVSRPGRGEPRFITVGYVDDTLFVRFDSDAASPREEPRAPWIEQEGPEYWDRETQICKAKAQTDREDLRTLLRYYNQSEAGSHTLQNMYGCDVGPDGRLLRGYHQHAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAARVAEQLRAYLEGECVEWLRRYLENGKETLQRADPPKTHVTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP +>5e3e.A +MIINEKYPYLSYLLRCYFNQDFEVLFGNADETLAAYKATETAEERLQMKAEIDYLLALSLPDDELQDILLNKLDCSYYYPNEWSSSEEWLKHIYKQMNHHHHHH +>3ilw.A +SNASVIVGRALPEVRDGLKPVHRRVLYAMFDSGFRPDRSHAKSARSVAETMGNYHPHGDASIYDSLVRMAQPWSLRYPLVDGQGNFGSPGNDPPAAMRYTEARLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSGGIAVGMATNIPPHNLRELADAVFWALENHDADEEETLAAVMGRVKGPDFPTAGLIVGSQGTADAYKTGRGSIRMRGVVEVEEDSRGRTSLVITELPYQVNHDNFITSIAEQVRDGKLAGISNIEDQSSDRVGLRIVIEIKRDAVAKVVINNLYKHTQLQTSFGANMLAIVDGVPRTLRLDQLIRYYVDHQLDVIVRRTTYRLRKANERAHILRGLVKALDALDEVIALIRASETVDIARAGLIELLDIDEIQAQAILDMQLRRLAALERQRIIDDLAKIEAEIADLEDILAKPERQRGIVRDELAEIVDRHGDDRRTRIIA +>3bl9.A +SAPVRLPFSGFRLQKVLRESARDKIIFLHGKVNEASGDGDGEDAVVILEKTPFQVEQVAQLLTGSPELQLQFSNDIYSTYHLFPPRQLNDVKTTVVYPATEKHLQKYLRQDLRLIRETGDDYRNITLPHLESQSLSIQWVYNILDKKAEADRIVFENPDPSDGFVLIPDLKWNQQQLDDLYLIAICHRRGIRSLRDLTPEHLPLLRNILHQGQEAILQRYRMKGDHLRVYLHYLPSYYHLHVHFTALGFEAPGSGVERAHLLAEVIENLECDPRHYQQRTLTFALRADDPLLKLLQEAQQS +>6o2v.A +GWNDPDRMLLRDVKALTLHYDRYTTSRRLDPIPQLKCVGGTAGCDSYTPKVIQCQNKGWDGYDVQWECCTDLDIAYKFGKTVVSCEGYESSEDQYVLRGSCGLEYNLDYTELGLQKLKESGKQHGFCSFSDYYYK +>1zd7.B +CLSFGTEILTVEYGPLPIGKIVSEEINCSVYSVDPEGRVYTQAIAQWHDRGEQEVLEYELEDGSVIRATSDHRFLTTDYQLLAIEEIFARQLDLLTLENIKQTEEALDNHRLPFPLLDAGTIKMVKVIGRRSLGVQRIFDIGLPQDHNFLLANGAIAAN +>2lis.A +RSWHYVEPKFLNKAFEVALKVQIIAGFDRGLVKWLRVHGRTLSTVQKKALYFVNRRYMQTHWANYMLWINKKIDALGRTPVVGDYTRLGAEIGRRIDMAYFYDFLKDKNMIPKYLPYMEEINRMRPADVPVKYMGK +>3qra.A +MEGESSISIGYAQSRVKEDGYKLDKNPRGFNLKYRYEFNNDWGVIGSFAQTRRGFEESVDGFKLIDGDFKYYSVTAGPVFRINEYVSLYGLLGAGHGKAKFSSIFGQSESRSKTSLAYGAGLQFNPHPNFVIDASYEYSKLDDVKVGTWMLGAGYRF +>7ead.A +GLPYPEGYRFWTHVKSMELKPGHPLYESFGGLHHIYVNPTGLRTYLEGKKAPFPKGTVIVFDLLEAKVEGNALLEGPRKLIGVMAKDPGRYPDTGGWGYYAFGPDKKPLAIDPKACHACHQGAANTDYVFSAFRP +>3bn0.A +MAVRIRLAKFGRKHHPIYRIVVMDAKSPREGKYIDILGTYDPKRKVLINVYPEKVKEWVLKGVELSHRAKAILWNHGILKEVVPEGYEMKRVGDYYVFEKRESKKSKGGEAA +>1fx4.A +DNDSAPKEPTGPVTLIFTDIESSTALWAAHPDLMPDAVATHHRLIRSLITRYECYEVKTVGDSFMIASKSPFAAVQLAQELQLCFLRLDWETNAVDESYREFEEQRAEGECEYTPPTASLDPEVYSRLWNGLRVRVGIHTGLCDIRYDEVTKGYDYYGRTSNMAARTESVANGGQVLMTHAAYMSLSGEDRNQLDVTTLGATVLRGVPEPVRMYQLNAVPGRNFAALRLDR +>4byz.A +YTMSAQVIQIGRQRFVGGLFWQSLSRRNELRAEAVELAKKLKFDLMVLRIDRGVAAAGYANTRDGFAPGHLSLGAMVSRAIALEGAFYNGRRQPAPNWLGAFALPDGRWAYFAVRDHAFMPNGDWVGSREEALERLHTDYAWGGWNVVIGEPELERQGFQNFQPKRLDDLLPRRGGRPRTERWWALRPVERRLS +>4a56.A +VSGQAQLEQLASVAAGARYLKNKCNRSDLPADEAINRAAINVGKKRGWANIDANLLSQRSAQLYQQLQQDSTPEATKCSQFNRQLAPFIDSLR +>1d3y.B +TVNQAKIFAQTTKMLEFAKQLLETDDFSTLREAYYVSKNWGEARFDDQQASNNVIEDLEAALGVLREHLGFIPEEDGSSVVGPLKIIEETPEGELVVDCTKLGTGAYNIPNDVTKLNLETDADFILAIETSGMFARLNAERFWDKHNCILVSLKGVPARATRRFIKRLHEEHDLPVLVFTDGDPYGYLNIYRTLKVGSGKAIHLADKLSIPAARLIGVTPQDIIDYDLPTHPLKEQDIKRIKDGLKNDDFVRSFPEWQKALKQMLDMGVRAEQQSLAKYGLKYVVNTYLPEKIKDESTWLP +>4oe9.B +MSGAMAALTAEHFAALQSLLKASSKDVVRQLCQESFSSSALGLKKLLDVTCSSLSVTQEEAEELLQALHRMTRLVAFRDLSSAEAILALFPENFHQNLKNLLTKIMLEHVSTWRTEAQANQ +>5kko.D +SNAMKYFQIDELTLNAMLRITTIESLTPEQRLELIKAHLLNIKTPSDDNEPWDEF +>4bt9.B +MHPGFFTSIGQMTDLIHTEKDLVTSLKDYIKAEEDKLEQIKKWAEKLDRLTSTATKDPEGFVGHPVNAFKLMKRLNTEWSELENLVLKDMSDGFISNLTIQRQYFPNDEDQVGAAKALLRLQDTYNLDTDTISKGNLPGVKHKSFLTAEDCFELGKVAYTEADYYHTELWMEQALRQLDEGEISTIDKVSVLDYLSYAVYQQGDLDKALLLTKKLLELDPEHQRANGNLKYFEYIMAKE +>3pkz.A +MIIGYARVSSLDQNLERQLENLKTFGAEKIFTEKQSGKSIENRPILQKALNFVEMGDRFIVESIDRLGRNYNEVIHTVNYLKDKEVQLMITSLPMMNEVIGNPLLDKFMKDLIIRILAMVSEQE +>2nwv.A +GMDNVAEYRKLIKQVLTEYDNLSRQSPETNYETCLVFDENHDNYLWLAVDWQGSKRIKYTYVHIRIKNEKIYIEEDYTEEGIATELMRLGVTNNDIVLAFHPPDVRKFTDFATA +>4tsh.A +VGTQTGNPATNLPEAQGSASKEAEQSQNQAGETNGSIPVEVPKTDLDQAAKDAKSAGVNVVQDADVNKGTVKTAEEAVQKETEIKEDYTKQAEDIKKTTDQYKSDVAAHEAEVAKIKAKNQ +>5kdw.B 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+LEANEGSKTLQRNRKMAMGRKKFNMDPKKGIQFLVENELLQNTPEEIARFLYKGEGLNKTAIGDYLGEREELNLAVLHAFVDLHEFTDLNLVQALRQFLWSFRLPGEAQKIDRMMEAFAQRYCLCNPGVFQSTDTCYVLSYSVIMLNTDLHNPNVRDKMGLERFVAMNRGINEGGDLPEELLRNLYDSIRNEPFKIPEDDGND +>1lln.A +NIVFDVENATPETYSNFLTSLREAVKDKKLTCHGMIMATTLTEQPKYVLVDLKFGSGTFTLAIRRGNLYLEGYSDIYNGKCRYRIFKDSESDAQETVCPGDKSKPGTQNNIPYEKSYKGMESKGGARTKLGLGKITLKSRMGKIYGKDATDQKQYQKNEAEFLLIAVQMVTEASRFKYIENKVKAKFDDANGYQPDPKAISLEKNWDSVSKVIAKVGTSGDSTVTLPGDLKDENNKPWTTATMNDLKNDIMALLTHVTCKVK +>5opz.A +GPLGSLNDIEEIRFTARSEENLRGVHPDLVRVIRLALRYSLVPFSVSEGLRSMARQREMVRAGSSQTLRSRHLTGHAVDVVAMPAGVVSWEWDYYAQIAVAVRRAARECGIIVEWGGEWKTLKDGPHFQLTFRDYPA +>3oyv.A +GSDDDNPTVDPANIDYTPENASSWHNYMRNVAALLKTDATNLYNAWNSSYKGGESYASLFKAHSGSPYASALSCVEEIVDKCAEIANEVGTAKIGDPYNLYKAGNTEEALYAVESWYSWHSRDDYTNNIYSIRNAYYGSLDGNINANSLSTVIAGANSSLDTKIKNAIQKAAKAIQDIPQPFRNHIPSNETVAAMDACAELESILKNDLKSYIANNSNNINTDAVLNPVVTQYVDAVVVPTYKSLKEKNDALYNAVIVLADNPSNSAFETACDAWITAREPWEKSEAFLFGPVDEMGLDPNMDSWPLDQNAIVQILNSQSWSDLEWSEGDDEAAVESAQNVRGFHTLEFLLYKNGEPRKVQ +>3jsz.A +MKARRSNELSKLRMRFFSALNHTSEIDLHTLFDNLKSNLTLGSIEHLQEGSVTYAIIQELLKGADAQKKIESFLKGAIKNVIHPGVIKGLTPNEINWNVAKAYPEYYEHEKLPDVTFGGFKVRDSNEFKFKTNVQTSIWFSIKPELFMPSKQQEALKRRREQYPGCKIRLIYSSSLLNPEANRQMKAFAKKQNISLIDIDSVKTDSPLYPLIKAELANLGMGGNPAAASDLCRWIPELFNEGFYVDIDLPVDSSKIVEGHQITGGVPIMLNMGSIISEPIAPHHRRQEAVCMATDIIAYANDRETQVMMDTVALHLKNIYDDPYTALKDTPLAQTAFFNRCEEEGKNIFELRKGLQDAFRSDSLLELYVFLGPAKFKEVFKLKETQIKYIDDHISEFNEHDLLLHLISDNPSEINQHTLDFGRAKVMYMDIAKEHYSAFYKPLVEEISGPGAIYNALGGASNFTTTHRRSTGPMLPTTPPRVLQVFCDAHDKGPFVSDNIARWQTNVRELGVLNREGLSWLPSVG +>2gg2.A +AISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKDDTIPAIISHDE +>4q7o.B +SNAMKNNIFLNLNKKSINNNHFVISIFFETIYQFETKDTLLECFKNITTTGHFGVIGAQYEKIDATRWIGDYEEVNGFEYIDKAPSIYFSVGDDFNPEELIIPINLAYHYFNIAISDFLIAHPEYQKKCKEIQKTYSQTNCSLHET +>3vkw.A +SYTRSEEIESLEQFHMATASSLIHKQMCSIVYTGPLKVQQMKNFIDSLVASLSAAVSNLVKILKDTAAIDLETRQKFGVLDVASKRWLVKPSAKNHAWGVVETHARKYHVALLEHDEFGIITCDNWRRVAVSSESVVYSDMAKLRTLRRLLKDGEPHVSSAKVVLVDGVPGCGKTKEILSRVNFEEDLILVPGRQAAEMIRRRANASGIIVATKDNVRTVDSFLMNYGKGARCQFKRLFIDEGLMLHTGCVNFLVEMSLCDIAYVYGDTQQIPYINRVTGFPYPAHFAKLEVDEVETRRTTLRCPADVTHFLNQRYEGHVMCTSSEKKSVSQEMVSGAASINPVSKPLKGKILTFTQSDKEALLSRGYADVHTVHEVQGETYADVSLVRLTPTPVSIIARDSPHVLVSLSRHTKSLKYYTVVMDPLVSIIRDLERVSSYLLDMYKV +>3hgl.A +PRRGAVAHANSIVQQLVSEGADISHTRNMLRNAMNGDAVAFSRVEQNIFRQHFPNMPMHGISRDSELAIELRGALRRAVHQQAAS +>1n2m.A +MNAEINPLHAYFKLPNTVSLVAGSSEGETPLNAFDGALLNAGIGNVNLIRISAIMPPEAEIVPLPKLPMGALVPTAYGYIISDVPGETISAAISVAIPKDKSLCGLIMEYEGKCSKKEAEKTVREMAKIGFEMRGWELDRIESIAVEHTVEKLGCAFAAAALWYK +>1vk1.A +MGVEKVPKYDIPVKKVEYVFIELDKMKPHEQLVQRELEDFIESVTGSGIFWKPMLLAKIPGTDEYLIVDGHHRWAGLQKLGAKRAPSVILDYFDEGVKVYTWYPAFKGDVNKVIERLKAEGLEVIEDEKAEEKAEKGEIAFALIGEKSFAIPGGLEEQKKVSKVLDEMDQAKEIELVYYGLKEDAKADMEKGEIDYVFIRKAPTKEEVMELVKRGEVFSPKTTRHVLPFIPDKIDVKLEDLF +>1vdk.B +MEYRIERDTMGEVRVPADKYWGAQTQRSLENFRIGTDRFRMPLEIIRAYGMLKKAAARANLELGELPEEIAKAIIQAAEEVVQGKWDDHFPLVVFQTGSGTQTNMNVNEVIANRASEILGKPLGSKYAHPNDHVNRGQSSNDTFPTAMYVAVALALHQRLYPAVEGLIRTFTAKAQAFDQIVKVGRTHLMDAVPITLGQEIGSWAAQLKTTLAAVKEMEKGLYNLAIGGTAVGTGLNAHPRFGELVAKYLAEETGLPFRVAENRFAALAAHDELVNVMGAIRTLAGALMKIGNDVRWLASGPYAGIGEITIPANEPGSSIMPGKVNPTQVEALTMVVVRVYGNDHTVAFAGSQGNFQLNVYKPVMAYSTLESINLLADAVASFDAHLAQGIEPNLERIEEYLQKNPMLATALNKAIGYDKAAEIVKKALKEKKTLKQAALELGYLTEEEFDRIVVPMRLAKPHEGA +>2cb5.A +SSSGLNSEKVAALIQKLNSDPQFVLAQNVGTTHDLLDICLKRATVQRAQHVFQHAVPQEGKPITNQKSSGRSWIFSCLNVMRLPFMKKLNIEEFEFSQSYLFFWDKVERCYFFLSAFVDTAQRKEPEDGRLVQFLLMNPANDGGQWDMLVNIVEKYGVIPKKCFPESYTTEATRRMNDILNHKMREFCIRLRNLVHSGATKGEISATQDVMMEEIFRVVCICLGNPPETFTWEYRDKDKNYEKIGPITPLEFYREHVKPLFNMEDKICLVNDPRPQHKHNKLYTVEYLSNMVGGRKTLYNNQPIDFLKKMVAASIKDGEAVWFGCDVGKHFNSKLGLSDMNLYDHELVFGVSLKNMNKAERLTFGESLMTHAMTFTAVSEKDDQDGAFTKWRVENSWGEDHGHKGYLCMTDEWFSEYVYEVVVDRKHVPEEVLAVLEQEPIILPAWDPMGALA +>3hms.A +GSYAEGQRKRRNTIHEFKKSAKTTLIKIDPALKIKTKKVNTADQCANRCTRNKGLPFTCKAFVFDKARKQCLWFPFNSMSSGVKKEFGHEFDLYENKDYIR +>2wnp.F +SCATGPRNCKDLLDRGYFLSGWHTIYLPDCRPLTVLCDMDTDGGGWTVFQRRMDGSVDFYRDWAAYKQGFGSQLGEFWLGNDNIHALTAQGSSELRVDLVDFEGNHQFAKYKSFKVADEAEKYKLVLGAFVGGSAGNSLTGHNNNFFSTKDQDNDVSSSNCAEKFQGAWWYADCHASNLNGLYLMGPHESFANGINWSAAKGYKYSYKVSEMKVRPA +>5x1e.D +DISKCMAKIAASMNAKFYLNDRFVSFDEVFSETGLLPAIAKRADQLCSLCLGYGLGATYDESEGALLGIRVVFDEVTPNVLRLLCMTDVMNELIQGGPSRDYTPLDELMYD +>3qc7.A +LVISRSKEISIEVEDIKDAGDTGKRLLKINTPSGARNIIIENEDAKALINGETTNTNKKNLQDLLFSDGNVKAFLQATTTDENKTALQQLLVSNADVLGLLSGNPTSDNKINLRTMIGAGVPYSLPAATTTTLGGVKKGAAVTASTATDVATAVKDLNSLITVLKNAGIISLEHHHHHH +>1lc3.A +MITNSGKFGVVVVGVGRAGSVRLRDLKDPRSAAFLNLIGFVSRRELGSLDEVRQISLEDALRSQEIDVAYICSESSSHEDYIRQFLQAGKHVLVEYPMTLSFAAAQELWELAAQKGRVLHEEHVELLMEEFEFLRREVLGKELLKGSLRFTASPLEEERFGFPAFSGISRLTWLVSLFGELSLISATLEERKEDQYMKMTVQLETQNKGLLSWIEEKGPGLKRNRYVNFQFTSGSLEEVPSVGVNKNIFLKDQDIFVQKLLDQVSAEDLAAEKKRIMHCLGLASDIQKLCHQKK +>6j56.A +ARQREIEMNRQQRFFRIPFIRPADQYKDPQSKKKGWWYAHFDGPWIARQMELHPDKPPILLVAGKDDMEMCELNLEETGLTRKRGAEILPRQFEEIWERCGGIQYLQNAIESRQARPTYATAMLQSLLK +>6fsw.A +GHMVSLDKAVIARLRKGGEEFEVLVDPYLARDLKEGKEVNFEDLLAAEEVFKDAKKGERASVDELRKIFGTDDVFEIARKIILEGEVQITAEQRREMLEAKRKQIINFISRNTIDPRTNAPHPPSRIERALEEAKVHIDIFKSVEAQVKDIVKALKPILPLKFEEMEIAIKIPPEHTGRAISALYNFGGVTREEWQRDGSWICVMRIPSGMYGDLMDLLGKVAKGEALTKVLRRIG +>1z1l.A +MHASDDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEE +>3m6z.A +MALVYDAEFVGSEREFEEERETFLKGVKAYDGVLATRYLMERSSSAKNDEELLELHQNFILLTGSYACSIDPTEDRYQNVIVRGVNFDERVQRLSTGGSPARYAIVYRRGWRAIAKALDIDEEDVPAIEVRAVKRNPLQPALYRILVRYGRVDLMPVTVDEVPPEMAGEFERLIERYDVPIDEKEERILEILRENPWTPHDEIARRLGLSVSEVEGEKDPESSGIYSLWSRVVVNIEYDERTAKRHVKRRDRLLEELYEHLEELSERYLRHPLTRRWIVEHKRDIMRRYLEQRIVECALKLQDRYGIREDVALCLARAFDGSISMIATTPYRTLKDVCPDLTLEEAKSVNRTLATLIDEHGLSPDAADELIEHFESIAGI +>2fhz.A +MTNKLFEHTVLYDSGDAFFELKGNASMKLSPKAAIEVCNEAAKKGLWILGIDGGHWLNPGFRIDSSASWTYDMPEEYKSKIPENNRLAIENIKDDIENGYTAFIITLKM +>5ws1.A +HMKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT +>2x5g.A +GASLKEIIDELGKQAKEQNKIASRILKIKGIKRIVVQLNAVPQDGKIRYSMTIHSQNNFRKQIGITPQDAEDLKLIAEFLEKYSDFLNEYVKFTPR +>1rm6.B +MNILTDFRTHRPATLADAVNALAAEATLPLGAGTDLLPNLRRGLGHPAALVDLTGIDGLATISTLADGSLRIGAGATLEAIAEHDAIRTTWPALAQAAESVAGPTHRAAATLGGNLCQDTRCTFYNQSEWWRSGNGYCLKYKGDKCHVIVKSDRCYATYHGDVAPALMVLDARAEIVGPAGKRTVPVAQLFRESGAEHLTLEKGELLAAIEVPPTGAWSAAYSKVRIRDAVDFPLAGVAAALQRDGDRIAGLRVAITGSNSAPLMVPVDALLGGNWDDAAAETLAQLVRKTSNVLRTTITGVKYRRRVLLAISRKVVDQLWEAR +>3nr1.A +GSEAAQLLEAADFAARKHRQQRRKDPEGTPYINHPIGVARILTHEAGITDIVVLQAALLHDTVEDTDTTLDEVELHFGAQVRRLVEEVTDDKTLPKLERKRLQVEQAPHSSPGAKLVKLADKLYNLRDLNRCTPEGWSEHRVQEYFEWAAQVVKGLQGTNRQLEEALKHLFKQRGLTI +>3nuf.A +GMTPLDANVELPTEVKAMIEQSSDAQAATALVNYVIKLAAAAEIHFTDLQLQVLTNHLIEMLGRSKSGEQLPAVDPTMFAEVSQKSLDLADQVVQHIGHLEVAEKYVLSIHFEAAQDKI +>2xdg.A +SMLREDESACLQAAEEMPQTTLGCPATWDGLLCWPTAGSGEWVTLPCPDFFSHFSSESGAVKRDCTITGWSEPFPPYPVACPVPLELLAEEE +>3ov5.A +MTSYTYQATPMDGTLKTMLERWAADSNMQLSYNLPSDYTLIGPVSAISTTSVQQAATELSAVYAAQGVSVSVSANKLLVQPVPVS +>4wyw.A +GLIVDTRDVEERVHVMRKTELAPTVAHGVFNPEFGPAALSNKDPRLNEGVVLDEVIFSKHKGDTKMSAEDKALFRRCAADYASRLHSVLGTANAPLSIYEAIKGVDGLDAMEPDTAPGLPWALQGKRRGALIDFENGTVGPEVEAALKLMEKREYKFACQTFLKDEIRPMEKVRAGKTRIVDVLPVEHILYTRMMIGRFCAQMHSNNGPQIGSAVGCNPDVDWQRFGTHFAQYRNVWDVDYSAFDANHCSDAMNIMFEEVFRTEFGFHPNAEWILKTLVNTEHAYENKRITVEGGMPSGCSATSIINTILNNIYVLYALRRHYEGVELDTYTMISYGDDIVVASDYDLDFEALKPHFKSLGQTITPADKSDKGFVLGHSITDVTFLKRHFHMDYGTGFYKPVMASKTLEAILSFARRGTIQEKLISVAGLAVHSGPDEYRRLFEPFQGLFEIPSYRSLYLRWVNAVCGDAAAALEHHHHHH +>3do6.A +GMKPIKEIADQLELKDDILYPYGHYIAKIDHRFLKSLENHEDGKLILVTAVTPTPAGEGKTTTSIGLSMSLNRIGKKSIVTLREPSLGPTLGLKGGATGGGRSRVLPSDEINLHFTGDMHAVASAHNLLAAVLDSHIKHGNELKIDITRVFWKRTMDMNDRALRSIVIGLGGSANGFPREDSFIITAASEVMAILALSENMKDLKERLGKIIVALDADRKIVRISDLGIQGAMAVLLKDAINPNLVQTTEGTPALIHCGPFANIAHGTNSIIATKMAMKLSEYTVTEAGFGADLGAEKFIDFVSRVGGFYPNAAVLVATVRALKYHGGANLKNIHEENLEALKEGFKNLRVHVENLRKFNLPVVVALNRFSTDTEKEIAYVVKECEKLGVRVAVSEVFKKGSEGGVELAKAVAEAAKDVEPAYLYEMNDPVEKKIEILAKEIYRAGRVEFSDTAKNALKFIKKHGFDELPVIVAKTPKSISHDPSLRGAPEGYTFVVSDLFVSAGAGFVVALSGDINLMPGLPKKPNALNMDVDDSGNIVGVS +>3g28.A +AGPWADIMQGPSESFVDFANRLIKAVEGSNLPPSARAPVIIDCFRQKSQPDIQQLIRTAPSTLTTPGEIIKYVLDRQ +>2wzo.A +GRPVFPIGLGGLTVYSLGEIITDRPGFHDESAIYPVGYCSTRIYASMKCPDQKCLYTCQIKDGGVQPQFEIVPEDDPQNAIVSSSADACHAELLRTISTTMGKLMPNLLPAGADFFGFSHPAIHNLIQSCPGARKCINYQWVKFDV +>3lx5.A +GSMTEIALIGNPNSGKTSLFNLITGHNQRVGNWPGVTVERKSGLVKKNKDLEIQDLPGIYSMSPYSPEEKVARDYLLSQRADSILNVVDATNLERNLYLTTQLIETGIPVTIALNMIDVLDGQGKKINVDKLSYHLGVPVVATSALKQTGVDQVVKKAAHTTTSTVGDLAFPIYDDRLEAAISQILEVLGNSVPQRSARFYAIKLFEQDSLVEAELDLSQFQRKEIEDIIRITEEIFTEDAESIVINERYAFIERVCQMAESHTEDFALTLS +>3ooi.A +SKELRQLQEDRKNDKKPPPYKHIKVNRPIGRVQIFTADLSEIPRCNCKATDENPCGIDSECINRMLLYECHPTVCPAGGRCQNQCFSKRQYPEVEIFRTLQRGWGLRTKTDIKKGEFVNEYVGELIDEEECRARIRYAQEHDITNFYMLTLDKDRIIDAGPKGNYARFMNHCCQPNCETQKWSVNGDTRVGLFALSDIKAGTELTFNYNLECLGNGKTVCKCGAPNCSGFLG +>1btk.A +AAVILESIFLKRSQQKKKTSPLNFKKCLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILEN +>2gkp.A +SNAMTFNQEQDYWAGYKANERALIIQTWSGFGRYAPDHLYPPHILPLDTDNETLGTTVLQALANSRTFVYDSPEDQDFFDTEKIRQRYEDWVAKLCGNLGYKTRRALFKNMMSVDIWLHNGCLKISPSRHVKLEAWDAIDADDVILSLDNSPEEIGAGLKLALSRCR +>2pmk.A +HHDITFRNIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAHRLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQLQSD +>1dd3.B +MTIDEIIEAIEKLTVSELAELVKKLEDKFGVTAAAPVAVAAAPVAGAAAGAAQEEKTEFDVVLKSFGQNKIQVIKVVREITGLGLKEAKDLVEKAGSPDAVIKSGVSKEEAEEIKKKLEEAGAEVELK +>6cka.B +MLYIDEFKEAIDKGYILGDTVAIVRKNGKIFDYVLPHEKVRDDEVVTVERVEEVMVELDKLEHHHHHH +>7ec1.A +SMNYFVGNSLGVNLTGIEKAIINRLNLFKEMGRPAQCVFLSWNRYLYRNAQNYITSSDYINMYDFFQEATYLERNEPFDWLSYWTDECHYTLKHVENSHDFRIYDQERFLMYAHFQDPKYRILDYVNHFDSQRRKVKRDFYDVRGFLSCSRILVDKQQTLCEFFYNPEGDTKLEKYFSYKDGKPEVQKIIVYYANKQYFFNNETELGAFFIKQLYQHGDLFFSDRNVYTAPIFNLTPESIPVVAVLHSTHIKNIDALDSSPFKNVYKAMFENLSRYRAIIVSTEQQKLDVEKRINHTIPVVNIPVGYSETIDTPVQTLDQRSVKLISVARYSPEKQLHQQIELIKRLVSYVPKIELHMYGFGSESKKLNELIQKYGLENHVYLRGFLSNLDQEYSDAYLSLITSNMEGFSLALLESLAHGVPVISYDIKYGPNELITSDFNGYLITKNDEDALFDKVKYVIDHPEVQQRLSKGSLAKAQQYSKASLIKQWDQFVRLILEHHHHHH +>1qlm.A +MVSVNENALPLVERMIERAELLNVEVQELENGTTVIDCGVEAAGGFEAGLLFSEVCMGGLATVELTEFEHDGLCLPAVQVTTDHPAVSTLAAQKAGWQVQVGDYFAMGSGPARALALKPKETYEEIDYEDDADVAILCLESSELPDEDVAEHVADECGVDPENLYLLVAPTASIVGSVQVSARVVETGLYKLLEVLEYDVTRVKYATGTAPIAPVADDDGEAMGRTNDCILYGGTVYLYVEGDDELPEVVEELPSEASEDYGKPFMKIFEEADYDFYKIDPGVFAPARVVVNDLSTGKTYTAGEINVDVLKESFSL +>3fpu.A +EDDEDYGDLGGCPFLVAENKTGYPTIVACKQDCNGTTETAPNGTRCFSIGDEGLRRMTANLPYDCPLGQCSNGDCIPKETYEVCYRRNWRDKKNHHHHHH +>1msk.A +KKPRTPPVTLEAARDNDFAFDWQAYTPPVAHRLGVQEVEASIETLRNYIDWTPFFMTWSLAGKYPRILEDEVVGVEAQRLFKDANDMLDKLSAEKTLNPRGVVGLFPANRVGDDIEIYRDETRTHVINVSHHLRQQTEKTGFANYCLADFVAPKLSGKADYIGAFAVTGGLEEDALADAFEAQHDDYNKIMVKALADRLAEAFAEYLHERVRKVYWGYAPNENLSNEELIRENYQGIRPAPGYPACPEHTEKATIWELLEVEKHTGMKLTESFAMWPGASVSGWYFSHPDSKYYAVAQIQRDQVEDYARRKGMSVTEVERWLAPNLGYDAD +>2qsk.A +GSGPTYCWNEANNPGGPNRCSNNKQCDGARTCSSSGFCQGTSRKPDPGPKGPTYCWDEAKNPGGPNRCSNSKQCDGARTCSSSGFCQGTAGHAAA +>3emi.A +KENGKRTEVKIGAKTSVMKEKDGKLFTGKANKETNKVDGANATEDADEGKGLVTAKDVIDAVNKTGWRIKTTDANGQNGDFATVASGTNVTFASGNGTTATVTNGTDGITVKYDAK +>2qcu.B +METKDLIVIGGGINGAGIAADAAGRGLSVLMLEAQDLACATSSASSKLIHGGLRYLEHYEFRLVSEALAEREVLLKMAPHIAFPMRFRLPHRPHLRPAWMIRIGLFMYDHLGKRTSLPGSTGLRFGANSVLKPEIKRGFEYSDCWVDDARLVLANAQMVVRKGGEVLTRTRATSARRENGLWIVEAEDIDTGKKYSWQARGLVNATGPWVKQFFDDGMHLPSPYGIRLIKGSHIVVPRVHTQKQAYILQNEDKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHFKKQLSRDDIVWTYSGVRPLCDDESDSPQAITRDYTLDIHDENGKAPLLSVFGGKLTTYRKLAEHALEKLTPYYQGIGPAWTKESVLPGGAIEGDRDDYAARLRRRYPFLTESLARHYARTYGSNSELLLGNAGTVSDLGEDFGHEFYEAELKYLVDHEWVRRADDALWRRTKQGMWLNADQQSRVSQWLVEYTQQRLSLAS +>1ux6.A +APLVHHHHHHALADNCPLEHNPDQLDSDSDRIGDTCDNNQDIDEDGHQNNLDNCPYVPNANQADHDKDGKGDACDHDDDNDGIPDDKDNCRLVPNPDQKDSDGDGRGDACKDDFDHDSVPDIDDICPENVDISETDFRRFQMIPLDPKGTSQNDPNWVVRHQGKELVQTVNSDPGLAVGYDEFNAVDFSGTFFINTERDDDYAGFVFGYQSSSRFYVVMWKQVTQSYWDTNPTRAQGYSGLSVKVVKSTTGPGEHLRNALWHTGNTPGQVRTLWHDPRHIGWKDFTAYRWRLSHRPKTGFIRVVMYEGKKIMADSGPIYDKTYAGGRLGLFVFSQEMVFFSDLKYECRDP +>2hy5.A +MKFALQINEGPYQHQASDSAYQFAKAALEKGHEIFRVFFYHDGVNNSTRLTTPPQDDRHIVNRWAELAEQYELDMVVCVAAAQRRGIVDEGEASRNGKDATNIHPKFRISGLGQLVEAAIQADRLVVFGD +>1gqv.A +MKPPQFTWAQWFETQHINMTSQQCTNAMQVINNYQRRCKNQNTFLLTTFANVVNVCGNPNMTCPSNKTRKNCHHSGSQVPLIHCNLTTPSPQNISNCRYAQTPANMFYIVACDNRDQRRDPPQYPVVPVHLDRII +>5ol4.A +MHLNPAEKEKLQIFLASELALKRKARGLKLNYPEAVAIITSFIMEGARDGKTVAMLMEEGKHVLTRDDVMEGVPEMIDDIQAEATFPDGTKLVTVHNPIS +>2rkq.A +EVPIVTRAEWNAKPPNGAIDSMVTPLPRAVIAHTAGGACADDVTCSQHMRNLQNFQMSKQKFSDIGYHYLIGGNGKVYEGRSPSQRGAFAGPNNDGSLGIAFIGNFEERAPNKEALDAAKELLEQAVKQAQLVEGYKLLGHRQVSATKSPGEALYALIQQWPNWSEEML +>2vi1.A +ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRFGRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMNFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCTTGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA +>3po8.A +SAGTSVTLQLDDGSGRTYQLREGSNIIGRGQDAQFRLPDTGVSRRHLEIRWDGQVALLADLNSTNGTTVNNAPVQEWQLADGDVIRLGHSEIIVRMHPLT +>1egw.B +GRKKIQITRIMDERNRQVTFTKRKFGLMKKAYELSVLCDCEIALIIFNSSNKLFQYASTDMDKVLLKYTEYNEPHES +>2d5b.A +MEKVFYVTTPIYYVNAEPHLGHAYTTVVADFLARWHRLDGYRTFFLTGTDEHGETVYRAAQAAGEDPKAFVDRVSGRFKRAWDLLGIAYDDFIRTTEERHKKVVQLVLKKVYEAGDIYYGEYEGLYCVSCERFYTEKELVEGLCPIHGRPVERRKEGNYFFRMEKYRPWLQEYIQENPDLIRPEGYRNEVLAMLAEPIGDLSISRPKSRVPWGIPLPWDENHVTFVWFDALLNYVSALDYPEGEAYRTFWPHAWHLIGKDILKPHAVFWPTMLKAAGIPMYRHLNVGGFLLGPDGRKMSKTLGNVVDPFALLEKYGRDALRYYLLREIPYGQDTPVSEEALRTRYEADLADDLGNLVQRTRAMLFRFAEGRIPEPVAGEELAEGTGLAGRLRPLVRELKFHVALEEAMAYVKALNRYINEKKPWELFKKEPEEARAVLYRVVEGLRIASILLTPAMPDKMAELRRALGLKEEVRLEEAERWGLAEPRPIPEEAPVLFPKK +>2x96.A +ALVKEEIQAKEYLENLNKELAKRTNVETEAAWAYGSNITDENEKKKNEISAELAKFMKEVASDTTKFQWRSYQSEDLKRQFKALTKLGYAALPEDDYAELLDTLSAMESNFAKVKVCDYKDSTKCDLALDPEIEEVISKSRDHEELAYYWREFYDKAGTAVRSQFERYVELNTKAAKLNNFTSGAEAWLDEYEDDTFEQQLEDIFADIRPLYQQIHGYVRFRLRKHYGDAVVSETGPIPMHLLGNMWAQQWSEIADIVSPFPEKPLVDVSAEMEKQGYTPLKMFQMGDDFFTSMNLTKLPQDFWDKSIIEKPTDGRDLVCHASAWDFYLTDDVRIKQCTRVTQDQLFTVHHELGHIQYFLQYQHQPFVYRTGANPGFHEAVGDVLSLSVSTPKHLEKIGLLKDYVRDDEARINQLFLTALDKIVFLPFAFTMDKYRWSLFRGEVDKANWNCAFWKLRDEYSGIEPPVVRSEKDFDAPAKYHISADVEYLRYLVSFIIQFQFYKSACIKAGQYDPDNVELPLDNCDIYGSAAAGAAFHNMLSMGASKPWPDALEAFNGERIMSGKAIAEYFEPLRVWLEAENIKNNVHIGWTTSNKCVS +>1f9p.A +NLAKGKEESLDSDLYAELRCMCIKTTSGIHPKNIQSLEVIGKGTHCNQVEVIATLKDGRKICLDPDAPRIKKIVQKKLAGDESAD +>1qw2.A +NYFQGHMMQIDSIEIGGKVYQFFKSDLGNAPLLFIKGSKGYAMCGYLNMETSNKVGDIAVRVMGVKTLDDMLSAKVVEASQEAQKVGINPGDVLRNVIDKLG +>2ot9.A +MAQPSTTYKFELNLTDLDRGVYESVKQTIARHPSETEERMTVRLLAYAFWYNEQLAFGRGLSDVDEPALWEKSLDDRVLHWIEVGQPDADRLTWCSRRTERTSLLAYGSLRVWEGKVIPAIKNLKNVNIAAVPQDVLEVLAKDMPRVIKWDVMISEGTVFVTDDRGQHEVQLQWLTGERG +>5gv0.A +DPTVSKYNVTGNNGTCLLASMALQLNITYLKKDNKTVTRAFNISPNDTSSGSCGINLVTLKVENKNRALELQFGMNASSSLFFLQGVRLNMTLPDALVPTFSISNHSLKALQATVGNSYKCNTEEHIFVSKMLSLNVFSVQVQAFKVDSDRFGSVEECVQDGNNGSSL +>6hj6.A +ETGMPLSCSKNNSHHYIFVGNNSGLELTLTNTSLLNHKFCNLSDAHKRAQYDMALMSIVSTFHLSIPNFNQYEAMSCDFNGDNITVQYNLSHASAVDAANHCGTVANGILETFHKFFWSNNIKDAYQLPNQGKLAHCYSTSYQFLIIQNTTWEDHCTFSRPTGTKHHHHHH +>5kts.A +GSFTMDLVEEILRLKEERNAIILAHNYQLPEVQDIADFIGDSLELARRATRVDADVIVFAGVDFMAETAKILNPDKVVLIPSREATCAMANMLKVEHILEAKRKYPNAPVVLYVNSTAEAKAYADVTVTSANAVEVVKKLDSDVVIFGPDKNLAHYVAKMTGKKIIPVPSKGHCYVHQKFTLDDVERAKKLHPNAKLMIHPECIPEVQEKADIIASTGGMIKRACEWDEWVVFTEREMVYRLRKLYPQKKFYPAREDAFCIGMKAITLKNIYESLKDMKYKVEVPEEIARKARKAIERMLEMSK +>2wkx.A +MGAGEKGIVEKEGYQLDTRRQAQAAYPRIKVLVIHYTADDFDSSLATLTDKQVSSHYLVPAVPPRYNGKPRIWQLVPEQELAWHAGISAWRGATRLNDTSIGIELENRGWQKSAGVKYFAPFEPAQIQALIPLAKDIIARYHIKPENVVAHADIAPQRKDDPGPLFPWQQLAQQGIGAWPDAQRVNFYLAGRAPHTPVDTASLLELLARYGYDVKPDMTPREQRRVIMAFQMHFRPTLYNGEADAETQAIAEALLEKYGQD +>6dgk.B +ASRYLTDMTLEEMSRDWFMLMPKQKVAGSLCIRMDQAIMDKNIILKANFSVIFDRLETLILLRAFTEEGAIVGEISPLPSLPGHTDEDVKNAVGVLIGGLEANDNTVRVSETLQRFAWRS +>2x49.A +GSHMTETVPLILLVPKSRREDLEKAQLAERLRSQFFIDYGVRLPEVLLRDGEGLDDNSIVLLINEIRVEQFTVYFDLMRVVNYSDEVVSFGINPTIHQQGSSQYFWVTHEEGEKLRELGYVLRNALDELYHCLAVTLARNVNEYFGIQETKHMLDQLEAKFPDLLKEVLRHATVQRISEVLQRLLSERVSVRNMKLIMEALALWAPREKDVINLVEHIRGAMARYICHKFANGGELRAVMVSAEVEDVIRKGIRQTSGSTFLSLDPEASANLMDLITLKLDDLLIAHKDLVLLTSVDVRRFIKKMIEGRFPDLEVLSFGEIADSKSVNVIKTI +>2db7.A +GSSGSSGGYFDAHALAMDYRSLGFRECLAEVARYLSIIEGLDASDPLRVRLVSHLNNYASQREA +>1sf9.A +MHHHHHHSSGVDLGTENLYFQSNAMEKRYSQMTPHELNTEIALLSEKARKAEQHGIINELAVLERKITMAKAYLLNPEDYSPGETYRVENTEDEFTISYLNGVFAWGYRTSSPQQEEALPISVLQEKE +>3dan.A +MDPSSKPLREIPGSYGIPFFQPIKDRLEYFYGTGGRDEYFRSRMQKYQSTVFRANMPPGPFVSSNPKVIVLLDAKSFPILFDVSKVEKKDLFTGTYMPSTKLTGGYRVLSYLDPSEPRHAQLKNLLFFMLKNSSNRVIPQFETTYTELFEGLEAELAKNGKAAFNDVGEQAAFRFLGRAYFNSNPEETKLGTSAPTLISSWVLFNLAPTLDLGLPWFLQEPLLHTFRLPAFLIKSTYNKLYDYFQSVATPVMEQAEKLGVPKDEAVHNILFAVCFNTFGGVKILFPNTLKWIGLAGENLHTQLAEEIRGAIKSYGDGNVTLEAIEQMPLTKSVVYESLRIEPPVPPQYGKAKSNFTIESHDATFEVKKGEMLFGYQPFATKDPKVFDRPEEYVPDRFVGDGEALLKYVWWSNGPETESPTVENKQCAGKDFVVLITRLFVIELFRRYDSFEIELGESPLGAAVTLTFLKRASI +>6qfk.A +GPLGSMVACETLKTKKMEVQIKKNFPSVLQYTMTDGKVMYGQSKDVRTVEINGTNIELGDDDVTFKKVSDTEATYTLKVKDEAKKIDAVITVQITVKANQLHLNVTKIKNNLSEGIPEGNGVEENAIQTLSFPNQSLVSVRSSQENAQFTGARMSSNTQKPGDTNFAVTEDTNVTDSDYTYGFISGAGLSAGLWSNSEHDGTYVAAPVRGGSQNTRVYATTQQTGDATSLGLASAPWYYHRTVTDSKGKKYTVAETALPQMAVAIAGDENEDGAVNWQDGAIAYRDIMNNPYKSEEVPELVAWRIAMNFGSQAQNPFLTTLDNVKKVALNTDGLGQSVLLKGYGNEGHDSGHPDYGDIGQRLGGADDMNTMMEEGSKYGARFGVHVNASEMYPEAKAFSEDMVRRNSAGGLSYGWNWLDQGVGIDGIYDLASGSRVSRFADLSKEVGDNMDFIYLDVWGNLTSSGSEDSWETRKMSKMINDNGWRMTTEWGSGNEYDSTFQHWAADLTYGGYTSKGENSEVMRFLRNHQKDSWVGDYPQYGGAANAPLLGGYNMKDFEGWQGRNDYAAYIKNLYTHDVSTKFIQHFKVTRWVNNPLLTADNGNAAAVSDPNTNNGNEQITLKDSNGNVVVVSRGSNDTSSAAYRQRTITFNGVKVASGVVSAGDGSATGDESYLLPWMWDSFTGKLVKDSEQKLYHWNTKGGTTTWTLPDSWKNLSSVKVYQLTDQGKTNEQTVAVSGGKVTLTADAETPYVVYKGEAKQIQVNWSEGMHVVDAGFNGGSNTLTDNWTVSGSGKAEVEGDNNAMLRLTGKVDVSQRLTDLKAGQKYALYVGVDNRSTGDASVTVTSGGKVLATNSTGKSIAKNYIKAYGHNTNSNTENGSSYFQNMYVFFTAPENGDATVTLSHKSTDGAHTYFDDVRIVENQYSGITYEKDGTLKSLTNGFENNAQGIWPFVVSGSEGVEDNRIHLSELHAPFTRAGWDVKKMDDVLDGTWSVKVNGLTQKGTLVYQTIPQNVKFEAGAKYKVSFDYQSGSDDIYAIAVGQGEYSAGSVKLTNLKKALGETGKAEFELTGGVNGDSWFGIYSTATAPDLQGSTGNAQDFGGYKDFVLDNLKIERIESQTRTKAEAQDKVKEIRGKYDSKRAELSDAAWQQYQDTLVKARVLINKNGATAEDFTKAYDILVALDEYMKLKDLDRKLLEAARAGQDDEVRILMANGADVNADDNTGETPLHLAAYEGHLEIVEVLLKTGADVNAEDMMGFTPLHLAAAWGHLEIVEVLLKHGADVNAQDNQGVTPLHLAAYEGHLEFVEVLLKHGADVNAQDCFGKTPFDLAIDNGNEDIAEVLQKAAKLGSLEVLFQ +>6fc0.B +GPHMQPSAALQSLRSARFLPGIVQDIYPPGIKSPNPALNEAVQKKGRIFKYDVQFLLQFQNVFTEKPSPDFDQQVKALIGD +>2qhq.B +SNAMALGFGMKMELQQFLDALASSPEKIEFETTMAVIEDNYDFTPAAFTNGNTQNDANENNGSCKIFAFGLLNALDKEATLACFGRFYREDVLLHPENNDHQNIRNFMVTGWEGIQFETSALTAK +>4f87.A +MSKINVNVENVSGVQGFLFHTDGKESYGYRAFINGVEIGIKDIETVQGFQQIIPSINISKSDVEAIRKAMKK +>3se9.G +VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE +>1bq8.A +MAKWVCKICGYIYDEDAGDPDNGISPGTKFEELPDDWVCPICGAPKSEFEKLED +>1tg7.A +LLQKYVTWDEHSIFVNGERLMIFSGEVHPYRLPVASLYIDIFEKVKALGFNCVSFYVDWALLEGNPGHYSAEGIFDLQPFFDAAKEAGIYLLARPGPYINAEVSGGGFPGWLQRVDGILRTSDEAYLKATDNYASNIAATIAKAQITNGGPIILYQPENEYSGACCGYNGFPDGSYMQYIEDHARDAGIVVPFISNDAWAAGHNAPGTGAGAVDIYGHDSYPLGFDCANPSTWPSGNLPTYFHTSHEQQSPSTPYSLVEFQGGAFDPWGGVGFAKCAALLNHEFERVFYKNDFSFGVAFLNLYMIFGGTNWGNLGHPGGYTSYDYGSAISESRNITREKYSELKLLGNFAKVSPGYLVANPGDLSTSTYTNTADLTVTPLLGSNSSASSFFVIRHSDYSSQASVEYKLTVPTSAGNLTIPQLGGSLTLSGRDSKIHVTDYDVAGTNILYSTAEVFTWKKFNNEKVLVLYGGPGEHHEFAVSGASSSSVVEGSSSGISSKKVGKALVVAWDVSTARRIVQVGSLKVFLLDRNSAYNYWVPQVPTKGTAPGYSNQETTASSIIVKAGYLVRSAYLDGNDLHIQADFNATTPIEVVGAPSGAKNLVINGKKTQTKVDKNGIWSASVAYTAPKVQLPSLKSLKWKSVDTLPEAKNTYDDSAWTSADHAYTNNSAHSLQTPTSLFASDYGYHTGALLFRGHFTANGKEKTFFVQTKGGTAYGHSIWINETYVGSWAGTSINDNNNATYTLPTLQSGKNYVITVVIDNMGLDEDWTIGSEDMKNPRGIIQYSLSGQEASAISWKLTGNLGGENYRDTVRGPLNEGGLYAERQGFHQPQPPTQKWDSSSPFTGLTKPGIRFYSTSFDLDLPSGYDIPLYFNFGNSTSTPAAYRVQLYVNGYQYGKYVNNIGPQTSFPVPEGILNYHGTNWLALSLWAQEDNGAKLDSFELINTTPVLTSLGEVKSVNQPKYQARKGAY +>1dfu.P +MFTINAEVRKEQGKGASRRLRAANKFPAIIYGGKEAPLAIELDHDKVMNMQAKAEFYSEVLTIVVDGKEIKVKAQDVQRHPYKPKLQHIDFVRA +>3onj.A +SLLISYESDFKTTLEQAKASLAEAPSQPLSQRNTTLKHVEQQQDELFDLLDQMDVEVNNSIGDASERATYKAKLREWKKTIQSDIKRPLQSLVDSGD +>1t9i.B +MNTKYNKEFLLYLAGFVDGNGSIIAQIKPNQSYKFKHQLSLTFQVTQKTQRRWFLDKLVDEIGVGYVRDRGSVSDYILSEIKPLHNFLTQLQPFLKLKQKQANLVLKIIEQLPSAKESPDKFLEVCTWVDQIAALNDSKTRKTTSETVRAVLDSLSEKKKSSP +>2ygs.A +MDAKARNCLLQHREALEKDIKTSYIMDHMISDGFLTISEEEKVRNEPTQQQRAAMLIKMILKKDNDSYVSFYNALLHEGYKDLAALLHDGIP +>4aqr.D +SSIERLQQWRKAALVLNASRRFRYTLDLKKEQETREMRQKIRSHAHALLAANRFMDM +>4adn.B +MAHHHHHHGMKTMIYPHQYNYIRSVILRLKNVYKTVNDKETVKVIQSETYNDINEIFGHIDDDIEESLKVLMNIRLSNKEIEAILNKFLEYVVPFELPSPQKLQKVFKKVKKIKIPQFEEYDLKVSSFVGWNELASNRKYIIYYDEKKQLKGLYGEISNQVVKGFCTICNKESNVSLFMKKSKTNSDGQYVKKGDYICRDSIHCNKQLTDINQFYNFIDKLD +>3g3s.B +GMAEQMRRVARLFGDWPETIIWTCLEGTMGDIYVDDSQSPQSALALYGRQSFFGFLAGQPHRDLLKICEGKNIILVPQNQAWSDLIEEVYGDGVRFFTRYATKKDTEFDLGHLQKLVDDLPESFDMKLIDRNLYETCLVEEWSRDLVGNYIDVEQFLDLGLGCVILHKGQVVSGASSYASYSAGIEIEVDTREDYRGLGLAKACAAQLILACLDRGLYPSWDAHTLTSLKLAEKLGYELDKAYQAYEWR +>6xds.A +KTEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEHAFNHGETAMTINGPWAWSNIDTSAVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELVKDPRVAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALAAAQTNAHDTTVFQGVAGQSLQVSCPYDSMKHWGRRKAWCRQLGEKGPCQRVVSTHNLWLLSFLRRWNGSTAITDDTLGGTLTITLRNLQPHDAGLYQCQSLHGSEADTLRKVLVEVLADPLDHHHHHHHH +>6dlm.A +GSPRSYLLKELADLSQHLVRLLERLVRESERVVEVLERGEVDEEELKRLEDLHRELEKAVREVRETHREIRERSR +>1tgr.A +GPETLCGAELVDALQFVCGDRGFYFNKPKAKGIVDECCFRSCDLRRLEMYCA +>4dol.A +KSAASSVGNAEDYAEETATSVKFKRSVTLPGCSSPLSLLGTGFREKKFAIIGVKVYAAGYYVNESILSGLSAWTGRSADEIQRDSSLFVSIFQAQAEKSLQIVLVRDVDGKTFWDALDEAISPRIKSPSSEDTTALSTFCCIFQNRPLNKGSVILLTWINTSNMLVSVSSGGLPTNVDATIESGNVTSALFDVFFGDSPVSPTLKSSVANQLAMTLV +>3e0z.A +GMITSIARQSIILKCLRQKSVLVSNYELYYTAGLAKKCFGIAVDADMEPKQLLEELQKHIDKVSPADEQEKYLIHLLGNYEPDDTHDEQTVELFHMGETEEHIWQVSIT +>2e5y.B +MKTIHVSVVTPDGPVYEDDVEMVSVKAKSGELGILPGHIPLVAPLEISAARLKKGGKTQYIAVSGGFLEVRPDKVTILAQAAERAEDIDVLRAKAAKERAERRLQSQQDDIDFKRAELALKRAMNRLSVAEMK +>4p7x.A +MASWSHPQFEKGATTRILGVVQLDQRRLTDDLAVLAKSNFSSEYSDFACGRWEFCMLRNQSGKQEEQRVVVHETPALATPLGQSLPYLNELLDNHFDRDSIRYARIIRISENACIIPHRDYLELEGKFIRVHLVLDTNEKCSNTEENNIFHMGRGEIWFLDASLPHSAGCFSPTPRLHLVVDIEGTRSLEEVAINVEQPSARNATVDTRKEWTDETLESVLGFSEIISEANYREIVAILAKLHFFHKVHCVDMYGWLKEICRRRGEPALIEKANSLERFYLIDRAAGEVMTY +>1pch.A +AKFSAIITDKVGLHARPASVLAKEASKFSSNITIIANEKQGNLKSIMNVMAMAIKTGTEITIQADGNDADQAIQAIKQTMIDTALIQG +>2vrs.C +ILQTTVDGNSTAISNLKSDISSNGLAITDLQDRVKSLESTASHGLSFSPPLSVADGVVSLDMDPYFCSQRVSLTSYSAEAQLMQFRWMARGTNGSSDTIDMTVNAHCHGRRTDYMMSSTGNLTVTSNVVLLTFDLSDITHIPSDLARLVPSAGFQAASFPVDVSFTRDSATHAYQAYGVYSSSRVFTITFPTGGDGTANIRSLTVRTGIDT +>3it4.B +TMLCVLTTDAAAEPAALERALRRAAAATFDRLDIDGSCSTNDTVLLLSSGASEIPPAQADLDEAVLRVCDDLCAQLQADAEGVTKRVTVTVTGAATEDDALVAARQIARDSLVKTALFGSDPNWGRVLAAVGMAPITLDPDRISVSFNGAAVCVHGVGAPGAREVDLSDADIDITVDLGVGDGQARIRTTDLSHAYVEENSAYSS +>1j0p.A +AAPKAPADGLKMDKTKQPVVFNHSTHKAVKCGDCHHPVNGKEDLQKCATAGCHDNMDKKDKSAKGYYHAMHDKGTKFKSCVGCHLETAGADAAKKKELTGCKGSKCHS +>4ywk.A +SVDREEMIERFANFLREYTDEDGNPVYRGKITDLLTITPKRSVAIDWMHLNSFDSELAHEVIENPEEGISAAEDAIQIVLREDFQREDVGKIHARFYNLPETLMVKDIGAEHINKLIQVEGIVTRVGEIKPFQSFRIQDRPETLKGGEMPRFIDGILLDDIVDVALPGDRVIVTGILRVVLEKREKTPIFRKILEVNHIEPVSKEI +>6xrx.A +KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSAVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALAAAQTNAAAALKDDFQEFVDLVPVDKLVNVALQYLVSDKEFKEFFGYLQGEEFSAVWDQFFALNEVKDVLNYLEAADLAVYDALNTVADFLGLHHVKPTVHTLRTGGLTGFFDETVALLPLDKFEALFEEKLKTSPEFKAFFEKLRNLDYQKFVDFHNNSKEVQGFLQKLRSYGLDVDGFFNLVAGFFGWGKF +>6q9c.B +RSYPAIPRIYAETTLNMLLKRAKKPRVHSIDEYLKDGGYQALEKALNMSPEEIIDWVDKSTLRGRGGAGFPTGKKWKFAVQNPGPRYFICNADESEPGTFKDRIIIERDPHLLIEGIIISSYAIGANEAYIYIRGEYPAGYYILRDAIEEAKKKGFLGKNILGSGFDLEIYVARGAGAYICGEETALIESLEGKRGHPRLKPPYPVQKGLWGKPTVVNNVETIANVPFIISMGWEEYRYIGPSDYAGPKLFPVSGKVKKPGVYELPMNTTLREVIFKYAGGTLGNKKVKAVFSGALDCFSSEELDIPMDYSPLGFGGTGTVIVLTEEDDIVEAALKIAEFYEHETCGQCTPCRVGCYEQANLLEKIYKGEATEQDWEGFDFVNRNIQPTSICGLGAVAGRLIRQTLEKFPEEWEKYRK +>1tdz.A +MPELPEVETVRRELEKRIVGQKIISIEATYPRMVLTGFEQLKKELTGKTIQGISRRGKYLIFEIGDDFRLISHLRMEGKYRLATLDAPREKHDHLTMKFADGQLIYADVRKFGTWELISTDQVLPYFLKKKIGPEPTYEDFDEKLFREKLRKSTKKIKPYLLEQTLVAGLGNIYVDEVLWLAKIHPEKETNQLIESSIHLLHDSIIEILQKAIKLGGSSIRTYSALGSTGKMQNELQVYGKTGEKCSRCGAEIQKIKVAGRGTHFCPVCQQK +>2wr8.A +GSHMITLTTDFGLKGPYVGEMKVAMLRINPNAKIVDVTHSVTRHSILEGSFVMEQVVKYSPKGTVHVGVIDPGVGTERRAIVIEGDQYLVVPDNGLATLPLKHIKVKSVYEIIPDKIRKFTGWEISSTFHGRDIFGPAGALIEKGIHPEEFGREIPVDSIVKLNVEPRKEGDVWILKVIYIDDFGNVILNLENYEKPRTVELLDFNLRLPYLETYGLVEKGEMLALPGSHDYLEIAVNMGSAAERLNVKVGDELRVRLL +>1feh.A +MKTIIINGVQFNTDEDTTILKFARDNNIDISALCFLNNCNNDINKCEICTVEVEGTGLVTACDTLIEDGMIINTNSDAVNEKIKSRISQLLDIHEFKCGPCNRRENCEFLKLVIKYKARASKPFLPKDKTEYVDERSKSLTVDRTKCLLCGRCVNACGKNTETYAMKFLNKNGKTIIGAEDEKCFDDTNCLLCGQCIIACPVAALSEKSHMDRVKNALNAPEKHVIVAMAPSVRASIGELFNMGFGVDVTGKIYTALRQLGFDKIFDINFGADMTIMEEATELVQRIENNGPFPMFTSCCPGWVRQAENYYPELLNNLSSAKSPQQIFGTASKTYYPSISGLDPKNVFTVTVMPCTSKKFEADRPQMEKDGLRDIDAVITTRELAKMIKDAKIPFAKLEDSEADPAMGEYSGAGAIFGATGGVMEAALRSAKDFAENAELEDIEYKQVRGLNGIKEAEVEINNNKYNVAVINGASNLFKFMKSGMINEKQYHFIEVMACHGGCVNGGGQPHVNPKDLEKVDIKKVRASVLYNQDEHLSKRKSHENTALVKMYQNYFGKPGEGRAHEILHFKYKK +>2phn.A +QGHMRVEVFPVEGLPLIKEGDDLAELISSRVRFEDGDVLVVCSTVISKAEGRIRRLEEFNPSERAKEIAARIGKPAEFVQAVLEESEEVLLDFPFLLVKAKFGNVCVNAGIDASNVEEGSLLLPPLDPDGSAEKLRRRILELTGKRVGVIITDTNGRCFRRGVVGFAIGISGVKAMKDWIGRKDLYGRELEVTVECVADEIAAFANLLMGEGGDGIPAVVVRGLNVAGEGSMEEIYRSEEEDVIRRCLKRCLGS +>2ox7.B +MSLIPKFRAWDTYEKEMLENVTPLFDDSNSMIAIITDFQIKGSPGTSEIEIGSYDTTFNWDEFPYVIMQSTGLKDKNGVEIFEGDILVYDAPKKYAHRRSMHEIAYADGRFFWEFLDLVFCQSNILYRDGYLVIGNIHENPELLEGNEGHHHHHH +>3gqv.A +MGDQPFIPPPQQTALTVNDHDEVTVWNAAPCPMLPRDQVYVRVEAVAINPSDTSMRGQFATPWAFLGTDYAGTVVAVGSDVTHIQVGDRVYGAQNEMCPRTPDQGAFSQYTVTRGRVWAKIPKGLSFEQAAALPAGISTAGLAMKLLGLPLPSPSADQPPTHSKPVYVLVYGGSTATATVTMQMLRLSGYIPIATCSPHNFDLAKSRGAEEVFDYRAPNLAQTIRTYTKNNLRYALDCITNVESTTFCFAAIGRAGGHYVSLNPFPEHAATRKMVTTDWTLGPTIFGEGSTWPAPYGRPGSEEERQFGEDLWRIAGQLVEDGRLVHHPLRVVQGGFDHIKQGMELVRKGELSGEKLVVRLEGPLEHHHHHH +>1n8u.A +EDKYTDKYDNINLDEILANKRLLVAYVNCVMERGKCSPEGKELKEHLQDAIENGCKKCTENQEKGAYRVIEHLIKNEIEIWRELTAKYDPTGNWRKKYEDRAKAAGIVIPEE +>4ayg.B +MGINGQQYYIDPTTGQPRKNFLLQNGNDWIYFDKDTGAGTNALKLQFDKGTISADEQYRRGNEAYSYDDKSIENVNGYLTADTWYRPKQILKDGTTWTDSKETDMRPILMVWWPNTVTQAYYLNYMKQYGNLLPASLPSFSTDADSAELNHYSELVQQNIEKRISETGSTDWLRTLMHEFVTKNSMWNKDSENVDYGGLQLQGGFLKYVNSDLTKYANSDWRLMNRTATNIDGKNYGGAEFLLANDIDNSNPVVQAEELNWLYYLMNFGTITGNNPEANFDGIRVDAVDNVDVDLLSIARDYFNAAYNMEQSDASANKHINILEDWGWDDPAYVNKIGNPQLTMDDRLRNAIMDTLSGAPDKNQALNKLITQSLVNRANDNTENAVIPSYNFVRAHDSNAQDQIRQAIQAATGKPYGEFNLDDEKKGMEAYINDQNSTNKKWNLYNMPSAYTILLTNKDSVPRVYYGDLYQDGGQYMEHKTRYFDTITNLLKTRVKYVAGGQTMSVDKNGILTNVRFGKGAMNATDTGTDETRTEGIGVVISNNTNLKLNDGESVVLHMGAAHKNQKYRAVILTTEDGVKNYTNDTDAPVAYTDANGDLHFTNTNLDGQQYTAVRGYANPDVTGYLAVWVPAGAADDQDARTAPSDEAHTTKTAYRSNAALDSNVIYEGFSNFIYWPTTESERTNVRIAQNADLFKSWGITTFELAPQYNSSKDGTFLDSIIDNGYAFTDRYDLGMSTPNKYGSDEDLRNALQALHKAGLQAIADWVPDQIYNLPGKEAVTVTRSDDHGTTWEVSPIKNVVYITNTIGGGEYQKKYGGEFLDTLQKEYPQLFSQVYPVTQTTIDPSVKIKEWSAKYFNGTNILHRGAGYVLRSNDGKYYNLGTSTQQFLPSQLSVQDNEGYGFVKEGNNYHYYDENKQMVKDAFIQDSVGNWYYLDKNGNMVANQSPVEISSNGASGTYLFLNNGTSFRSGLVKTDAGTYYYDGDGRMVRNQTVSDGAMTYVLDENGKLVSESFDSSATEAHPLKPGDLNGQKHHHHHH +>3jub.A +MALVFVYGTLKRGQPNHRVLRDGAHGSAAFRARGRTLEPYPLVIAGEHNIPWLLHLPGSGRLVEGEVYAVDERMLRFLDDFESCPALYQRTVLRVQLLEDRAPGAEEPPAPTAVQCFVYSRATFPPEWAQLPHHDSYDSEGPHGLRYNPRENR +>6rrv.A +GPKPKNTKENLSKSSWRQEWLANLKLISVSLVDEFPSELSDSDRQIINEKMQLLKDIFANNLKSAISNNFRESDIIILKGEIEDYPMSSEIKIYYNELQNKPDAKKARFWSFMKTQRFVSNMGFDIQ +>5o9e.A +MDEYSELSGIVDPRVLVTTSRDPSSRLMAFSKEIRLMFPTAIRLNRGNLILPDLVMSAQRERLSDIILLHEHRGTPTAITISHFPHGPTLMASLHNVVLRADIPKSIKGTVSESYPHLIFEGFRTPLGQRVVKILKHLFPPRDPTNNAKSGNRVITFVNQDDCIEVRHHVYVRTNYNSVELSEVGPRFTMRPFSITMGTLE +>3v0r.A +MDTASCPVTTEGDYVWKISEFYGRKPEGTYYNSLGFNIKATNGGTLDFTCSAQADKLEDHKWYSCGENSFMDFSFDSDRSGLLLKQKVSDDITYVATATLPNYCRAGGNGPKDFVCQGVADAYITLVTLPKSS +>2qnl.A +GMHTQEALFVRLALDAWNTQSSRTDKLIQSLSNEALAVETAPGRNSGTYLLGHLTAVHDAMLPLLELGDTLYPQLAPVFIQNPDKSGLEKPEINDLRLYWSLVQERLANQFNQLQPADWFNKHAAISREDFLKEPHRNKLSVLINRTNHMAYHLGQLAYLKK +>1xg0.A +AMDKSAKAPQITIFDHRGCSRAPKESTGGKAGGQDDEMMVKVASTKVTVSESDAAKKLQEFITFEKGIDGPFTSKN +>1m7v.A +GSHMEILWNEAKAFIAECYQELGKEEEVKDRLDSIKSEIDRTGSYVHTKEELEHGAKMAWRNSNRCIGRLFWNSLNVIDRRDVRTKEDVRDALFHHIETATNNGKIRPSITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASRSLTAACEQLGWRGERTDFDLLPLIFRMRGDEQPVWYELPRSLVIEVPITHPDIEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYMGTEIGARNLADEKRYDKLKKVASVIGISTNYNTDLWKDQALVELNKAVLYSYKKQGVSIVDHHTAASQFKRFEEQEEEAGRKLTGDWTWLIPPISPAATHIFHRSYDNSIVKPNYFYQDKPYE +>1k7c.A +TTVYLAGDSTMAKNGGGSGTNGWGEYLASYLSATVVNDAVAGRSARSYTREGRFENIADVVTAGDYVIVEFGHNDGGSLSTDNGRTDCSGTGAEVCYSVYDGVNETILTFPAYLENAAKLFTAKGAKVILSSQTPNNPWETGTFVNSPTRFVEYAELAAEVAGVEYVDHWSYVDSIYETLGNATVNSYFPIDHTHTSPAGAEVVAEAFLKAVVCTGTSLKSVLTTTSFEGTCL +>2wn3.C +AMSTQGLVQLLANAQCHLRTSTNYNGVHTQFNSALNYKNNGTNTIDGSEAWCSSIVDTNQYIVAGCEVPRTFMCVALQGRGDADQWVTSYKIRYSLDNVSWFEYRNGAAVTGVTDRNTVVNHFFDTPIRARSIAIHPLTWNGHISLRCEFYTQPVQSSVTQVGADIYTGDNCALNTGSGKREVVVPVKFQFEFATLPKVALNFDQIDCTDATNQTRIGVQPRNITTKGFDCVFYTWNENKVYSLRADYIATALE +>1ouw.C +AVPMDTISGPWGNNGGNFWSFRPVNKINQIVISYGGGGNNPIALTFSSTKADGSKDTITVGGGGPDSITGTEMVNIGTDEYLTGISGTFGIYLDNNVLRSITFTTNLKAHGPYGQKVGTPFSSANVVGNEIVGFLGRSGYYVDAIGTYNRHK +>4qtq.A +MQKDLKMPSTANAKLNEQGEISADIGGIAVSVHAQSCTEDSPGIMLCNRSPVVEVTFPGAKPIALEPEALYVDSNSTFYHGPLDDTYKKNRHSIILTDINGDGHEDVVVWSGKEGNYGGPSYSVYLFDAAQKTLVFNQSLSDITVMANGLFSVKGNMLTSTSGDGCCIHVFDTYELKNNEAVLIERLTEDTNDPANPKKKIERLQDGEMKEVSN +>2prv.A +GMIYSKVENFINENKQNAIFTEGASHENIGRIEENLQCDLPNSYKWFLEKYGAGGLFGVLVLGYNFDHASVVNRTNEYKEHYGLTDGLVVIEDVDYFAYCLDTNKMKDGECPVVEWDRVIGYQDTVADSFIEFFYNKIQEAKDDWDEDEDWDD +>3eoj.A +ALFGTKDTTTAHSDYEIILEGGSSSWGQVKGRAKVNVPAAIPLLPTDCNIRIDAKPLDAQKGVVRFTTKIESVVDSVKNTLNVEVDIANETKDRRIAVGEGSLSVGDFSHSFSFEGSVVNMYYYRSDAVRRNIPNPIYMQGRQFHDILMKVPLDNNDLVDTWEGFQQSISGGGANFGDWIREFWFIGPAFAAINEGGQRISPIVVNSSNVEGGEKGPVGVTRWKFSHAGSGVVDSISRWTELFPVEQLNKPASIEGGFRSDSQGIEVKVDGNLPGVSRDAGGGLRRILNHPLIPLVHHGMVGKFNDFTVDTQLKIVLPKGYKIRYAAPQFRSQNLEEYRWSGGAYARWVEHVCKGGTGQFEVLYAQ +>1ear.A +MVITKIVGHIDDLSHQIKKVDWLEVEWEDLNKRILRKETENGTDIAIKLENSGTLRYGDVLYESDDTLIAIRTKLEKVYVIKPQTMQEMGKMAFEIGNRHTMCIIEDDEILVRYDKTLEKLIDEVGVSYEQSERRFKEPFKYRGHQH +>2gkr.I +VDCSEYPKPACTLEYRPLCGSDNKTYGNKCNFCNAVVESNGTLTLSHFGKC +>1b2s.F +MKKAVINGEQIRSISDLHQTLKKELALPEYYGENLDALWDCLAGWVEYPLVLEWRQFEQSKQLTENGAESVLQVFREAKAEGCDITIILS +>1jke.C +MIALIQRVTRASVTVEGEVTGEIGAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMNLNVQQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV +>2fos.A +MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK +>7lao.A +QGMNTIESITADLHGLGVRPGDLIMVHASLKAVGPVEGGAASVVSALRAAVGSAGTLMGYASWDRSPYEETLNGARMDEELRRRWPPFDLATSGTYPGFGLLNRFLLEAPDARRSAHPDASMVAVGPLAATLTEPHRLGQALGEGSPLERFVGHGGKVLLLGAPLDSVTVLHYAEAIAPIPNKRRVTYEMPMLGPDGRVRWELAEDFDSNGILDCFAVDGKPDAVETIAKAYVELGRHREGIVGRAPSYLFEAQDIVSFGVTYLEQHFGAP +>2w0i.A +SMPLQPEAQRALQQLKQKMVNYIQMKLDLERETIELVHTEPTDVAQLPSRVPRDAARYHFFLYKHTHEGDPLESVVFIYSMPGYKCSIKERMLYSSCKSRLLDSVEQDFHLEIAKKIEIGDGAELTAEFLDDEVH +>1nl1.A +ANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQD +>3lur.B +GMEYQLQQLASLTLVGIKETYENGRQAQQHIAGFWQRCYQEGVIADLQLKNNGDLAGILGLCIPELDGKMSYMIAVTGDNSADIAKYDVITLASSKYMVFEAQGAVPKAVQQKMEEVHHYIHQYQANTVKSAPFFELYQDGDTTSEKYITEIWMPVKG +>1ijx.C +GSAACEPVRIPLCKSLPWEMTKMPNHLHHSTQANAILAMEQFEGLLGTHCSPDLLFFLCAMYAPICTIDFQHEPIKPCKSVCERARQGCEPILIKYRHSWPESLACDELPVYDRGVCISPEAIVTAD +>4mzv.A +QEECVCENYKLAVNCFVNNNRQCQCTSVGAQNTVICSKLAAKCLVMKAEMQGSKLGRRAKPEGALQNNDGLYDPDCDESGLFKAKQCQGTSTCWCVNTAGVRRTDKDTEITCSERVRTYWIIIELKHKAREKPYDSKSLRTALQKEITTRYQLDPKFITSILYENNVITIDLVQQSSQKTQNDVDIADVAYYFEKDVKGESLFHSKKMDLTVNGEQLDLDPGQTLIYYVDEKAPEFSMQGLKHHHHHH +>4yxp.A +GPGAADTIDATTRLVLRSISERAAVDRISESFGRSAQVMHDPFGGQPFPAANSPWAPVLAGQGGPFDAETRRVSWETLVAHGPSLYRTFAGNPRAASTAKAMRDCVLRQENFIEALASADETLAWCKMCIHHNLPLRPQDPIIGTTAAVLDNLATRLRPFLQCYLKARGLCGLDELCSRRRLADIKDIASFVFVILARLANRVERGVAEIDYATLGVGVGEKMHFYLPGACMAGLIEILDTHRQECSSRVCELTASHIVAPPYVHGKYFYCNSLF +>6l4l.A +MNRQVIEFSKYNPSGNMTILVHSKHDASEYASIANQLMAATHVCCEQVGFIESTQNDDGNDFHLVMSGNEFCGNATMSYIHHLQESHLLKDQQFKVKVSGCSDLVQCAIHDCQYYEVQMPQAHRVVPTTINMGNHSWKALEIIYETYVHYVIPVKQVTTEIQHLVEAFVREQQWSHKYKTVGMMLFDEQRQFLQPLIYIPEIQSLIWENSCGSGTASIGVFNNYQRNDACKDFTVHQPGGSILVTSKRCHQLGYQTSIKGQVTTVATGKAYIELEHHHHHH +>1o98.A +MSKKPVALIILDGFALRDETYGNAVAQANKPNFDRYWNEYPHTTLKACGEAVGLPEGQMGNSEVGHLNIGAGRIVYQSLTRINIAIREGEFDRNETFLAAMNHVKQHGTSLHLFGLLSDGGVHSHIHHLYALLRLAAKEGVKRVYIHGFLDGRDVGPQTAPQYIKELQEKIKEYGVGEIATLSGRYYSMDRDKRWDRVEKAYRAMVYGEGPTYRDPLECIEDSYKHGIYDEFVLPSVIVREDGRPVATIQDNDAIIFYNFRPDRAIQISNTFTNEDFREFDRGPKHPKHLFFVCLTHFSETVAGYVAFKPTNLDNTIGEVLSQHGLRQLRIAETEKYPHVTFFMSGGREEEFPGEDRILINSPKVPTYDLKPEMSAYEVTDALLKEIEADKYDAIILNYANPDMVGHSGKLEPTIKAVEAVDECLGKVVDAILAKGGIAIITADHGNADEVLTPDGKPQTAHTTNPVPVIVTKKGIKLRDGGILGDLAPTMLDLLGLPQPKEMTGKSLIVK +>1sx3.A +AAKDVKFGNDAGVKMLRGVNVLADAVKVTLGPKGRNVVLDKSFGAPTITKDGVSVAREIELEDKFENMGAQMVKEVASKANDAAGDGTTTATVLAQAIITEGLKAVAAGMNPMDLKRGIDKAVTVAVEELKALSVPCSDSKAIAQVGTISANSDETVGKLIAEAMDKVGKEGVITVEDGTGLQDELDVVEGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISNIREMLPVLEAVAKAGKPLLIIAEDVEGEALATLVVNTMRGIVKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGVGEEAAIQGRVAQIRQQIEEATSDYDREKLQERVAKLAGGVAVIKVGAATEVEMKEKKARVEDALHATRAAVEEGVVAGGGVALIRVASKLADLRGQNEDQNVGIKVALRAMEAPLRQIVLNCGEEPSVVANTVKGGDGNYGYNAATEEYGNMIDMGILDPTKVTRSALQYAASVAGLMITTECMVTDLPK +>4m0q.A +GHMISPKKDLEKGVVLSDLCNFLVSQTIQGWKVYWAGIEFDVTHKGMALLHRLKTNDFAPAWSMTRNLFPHLFQNPNSTIESPLWALRVILAAGIQDQLIDQSLIEPLAGALGLISDWLLTTNTNHFNMRTQRVKEQLSLKMLSLIRSNILKFINKLDALHVVNYNGLLSSIEIGTQNHTIIITRTNMGFLVELQEPDKSAMNRMKPGPAKFSLLHESTLKAFTQGSSTR +>2fj8.A +AGKKRPWKCCDEAVCTRSIPPICTCMDEVFECPKTCKSCGPSMGDPSRRICQDQYVGDPGPICRPWECCDKAICTRSNPPTCRCVDEVKKCAPTCKTCLPSRSRPSRRVCIDSYFGPVPPRCTPR +>1xhk.B +HMEPKVGVIYGLAVLGAGGIGDVTKIIVQILESKNPGTHLLNISGDIAKHSITLASALSKKLVAEKKLPLPKKDIDLNNKEIYIQFSQSYSKIDGDSATAAVCLAIISALLDIPLKQDFAITGSLDLSGNVLAIGGVNEKIEAAKRYGFKRVIIPEANMIDVIETEGIEIIPVKTLDEIVPLVFDLD +>1a62.A +MNLTELKNTPVSELITLGENMGLENLARMRKQDIIFAILKQHAKSGEDIFGDGVLEILQDGFGFLRSADSSYLAGPDDIYVSPSQIRRFNLRTGDTISGKIRPPKEGERYFALLKVNEVNFDKPENARNK +>2d28.C +MEQRSAETRIVEALLERRRLKDTDLVRARQLQAESGMGLLALLGRLGLVSERDHAETCAEVLGLPLVDARQLGDTPPEMLPEVQGLSLRFLKQFHLCPVGERDGRLDLWIADPYDDYAIDAVRLATGLPLLLHVGLRSEIDDLIERWYG +>2v9m.A +MQNITQSWFVQGMIKATTDAWLKGWDERNGGNLTLRLDDADIAPYHDNFHQQPRYIPLSQPMPLLANTPFIVTGSGKFFRNVQLDPMANLGIVKVDSDGAGYHILWGLFNEAVPTSELPAHFLSHCERIKATNGKDRVIMHCHATNLIALTYVLENDTAVFTRQLWEGSTECLVVFPDGVGILPWMVPGTDAIGQATAQEMQKHSLVLWPFHGVFGSGPTLDETFGLIDTAEKSAQVLVKVYSMGGMKQTISREELIALGKRFGVTPLASALAL +>3l1e.A +GSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQEDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFSGPKIPSGVDAGHSERAIPVSR +>1yoz.B +GHMLYINSFLDRMGEIIRGEKSVEEADKLLDQKNIFEMFRSDCEEILNLYKSGKAEKEEVQRNFYLLKTYVVSQLSIHFERLKEFAESKGFKIEKKLDPEVINEIALYIDRVEKEV +>4mmj.A +STGMIQRDIEYSGQFSKDVKLAQKRHKDMNKLKYLMTLLINNTLPLPAVYKDHPLQSSWKGYRDAHVEPDWILIYKLTDKLLRFERTGTQAALFG +>7asg.A +GPNVCAVQKVIGTNRKYFTNCKQWYQRKICGKSTVISYECCPGYEKVPGEKGCPAALPLSNLYETLGVVGSTTTQLYTDRTEKLRPEMEGPGSFTIFAPSNEAWASLPAEVLDSLVSNVNIELLNALRYHMVGRRVLTDELKHGMTLTSMYQNSNIQIHHYPNGIVTVNCARLLKADHHATNGVVHLIDKVISTITNNIQQIIEIEDTFETLRAAVAASGLNTMLEGNGQYTLLAPTNEAFEKIPSETLNRILGDPEALRDLLNNHILKSAMCAEAIVAGLSVETLEGTTLEVGCSGDMLTINGKAIISNKDILATNGVIHYIDELLIPDSAKTLFELAAESDVSTAIDLFRQAGLGNHLSGSERLTLLAPLNSVFKDGTPPIDAHTRNLLRNHIIKDQLASKYLYHGQTLETLGGKKLRVFVYRNSLCIENSCIAAHDKRGRYGTLFTMDRVLTPPMGTVMDVLKGDNRFSMLVAAIQSAGLTETLNREGVYTVFAPTNEAFRALPPREWSRLLGDAKELANILKYHIGDEILVSGGIGALVRLKSLQGDKLEVSLKNNVVSVNKEPVAEPDIMATNGVVHVITNVLHHHHHH +>2p54.A +DLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY +>1g38.A +VETPPEVVDFMVSLAEAPRGGRVLEPACAHGPFLRAFREAHGTGYRFVGVEIDPKALDLPPWAEGILADFLLWEPGEAFDLILGNPPYGIVGEASKYPIHVFKAVKDLYKKAFSTWKGKYNLYGAFLEKAVRLLKPGGVLVFVVPATWLVLEDFALLREFLAREGKTSVYYLGEVFPQKKVSAVVIRFQKSGKGLSLWDTQESESGFTPILWAEYPHWEGEIIRFETEETRKLEISGMPLGDLFHIRFAARSPEFKKHPAVRKEPGPGLVPVLTGRNLKPGWVDYEKNHSGLWMPKERAKELRDFYATPHLVVAHTKGTRVVAAWDERAYPWREEFHLLPKEGVRLDPSSLVQWLNSEAMQKHVRTLYRDFVPHLTLRMLERLPVRREYGFHT +>4epi.A +SMSDTMVVNGSGGVPAFLFSGSTLSSYRPNFEANSITIALPHYVDLPGRSNFKLMYIMGFPIDTEMEKDSEYSNKIRQESKISKTEGTVSYEQKITVETGQEKDGVKVYRVMVLEGTIAESIEHLDKKENEDILNNNRNRIVLADNTVINFDNISQLKEFLRRSVNIVCFEMLRCDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNC +>1ez3.B +VDRDRFMDEFFEQVEEIRGFIDKIAENVEEVKRKHSAILASPNPDEKTKEELEELMSDIKKTANKVRSKLKSIEQSIEQEEGLNRSSADLRIRKTQHSTLSRKFVEVMSEYNATQSDYRERCKGRIQ +>3im1.A +GAMEATEIISTLSNGLIASHYGVSFFTIQSFVSSLSNTSTLKNMLYVLSTAVEFESVPLRKGDRALLVKLSKRLPLRFPEHTSSGSVSFKVFLLLQAYFSRLELPVDFQNDLKDILEKVVPLINVVVDILSANGYLNATTAMDLAQMLIQGVWDVDNPLRQIPHFNNKILEKCKEINVETVYDIMALEDEERDEILTLTDSQLAQVAAFVNNYPNVELTYSLNNSDSLISGVKQKITIQLTRDVEPENLQVTSEKYPFDKLESWWLVLGEVSKKELYAIKKVTLNKETQQYELEFDTPTSGKHNLTIWCVCDSYLDADKELSFEINVK +>1u55.A +MKGTIVGTWIKTLRDLYGNDVVDESLKSVGWEPDRVITPLEDIDDDEVRRIFAKVSEKTGKNVNEIWREVGRQNIKTFSEWFPSYFAGRRLVNFLMMMDEVHLQLTKMIKGATPPRLIAKPVAKDAIEMEYVSKRKMYDYFLGLIEGSSKFFKEEISVEEVERGEKDGFSRLKVRIKFKNPVFEYKKN +>2dtr.A +MKDLVDTTEMYLRTIYELEEEGVTPLRARIAERLEQSGPTVSQTVARMERDGLVVVASDRSLQMTPTGRTLATAVMRKHRLAERLLTDIIGLDINKVHDEACRWEHVMSDEVERRLVKVLKDVSRSPFGNPIPGLDELGVGNSDAAAPGTRVIDAATSMPRKVRIVQINEIFQVETDQFTQLLDADIRVGSEVEIVDRDGHITLSHNGKDVELLDDLAHTIRIEEL +>3c2q.B +SNANIPEIENANLKPALKDSVLPDGFYSTTNHPTHVKVNDEWIEVANPKMDAVIVVYPEEKRAETKVIRKVKKGDFVLIGHNGIRVMPPEKSREAGQLFEFMNSEVSSEKPKEAIIKRIAKEMHEIREEYKKTGTGGIAIVGGPAIIHTGGGPALAKMVELGYIQAILAGNALATHDIESALYGTSLGVNIKTAKPVTGGHKHHIYAINAINDAGNIKNAVESGVLKEGIMYQCIKNNIPYVLAGSIRDDGPIPDVITDSMVAQDKMRTTVMDKKMVIMLSTLLHSVATGNLMPSYIKTVCVDIQPSTVTKLMDRGTSQAIGVVTDVGVFLVLLLKELERLELQE +>4p3x.A +MHHHHHHMVDEILKLKKEKGYIILAHNYQIPELQDIADFVGDSLQLARKAMELSEKKILFLGVDFMAELVKILNPDKKVIVPDRSATCPMANRLTPEIIREYREKFPDAPVVLYVNSTSECKTLADVICTSANAVEVVKKLDSSVVIFGPDRNLGEYVAEKTGKKVITIPENGHCPVHQFNAESIDAVRKKYPDAKVIVHPECPKPVRDKADYVGSTGQMEKIPERDPSRIFVIGTEIGMIHKLKKKFPDREFVPLEMAVCVNMKKNTLENTLHALQTESFEVILPKEVIEKAKKPILRMFELMG +>2p6v.A +TVPGATTTSSAATETMENVKKCKNFLSTLIKLASSGKQSTETAANVKELVQNLLDGKIEAEDFTSRLYRELNSSPQPYLVPFLKRSLPALRQLTPDSAAFIQQSQQQPPPPTSQ +>6mdw.A +GPGRPQESLSLVDASWELVDPTPDLQALFVQFNDQFFWGQLEAVEVKWSVRMTLCAGICSYEGKGGMCSIRLSEPLLKLRPRKDLVETLLHEMIHAYLFVTNNDKDREGHGPEFCKHMHRINSLTGANITVYHTFHDEVDEYRRHWWRCNGPCQHRPPYYGYVKRATNREPSAHDYWWAEHQKTCGGTYIKIKE +>1ewf.A +VNPGVVVRISQKGLDYASQQGTAALQKELKRIKIPDYSDSFKIKHLGKGHYSFYSMDIREFQLPSSQISMVPNVGLKFSISNANIKISGKWKAQKRFLKMSGNFDLSIEGMSISADLKLGSNPTSGKPTITCSSCSSHINSVHVHISKSKVGWLIQLFHKKIESALRNKMNSQVCEKVTNSVSSELQPYFQTLPVMTKIDSVAGINYGLVAPPATTAETLDVQMKGEFYSENHHNPPPFAPPVMEFPAAHDRMVYLGLSDYFFNTAGLVYQEAGVLKMTLRDDMIPKESKFRLTTKFFGTFLPEVAKKFPNMKIQIHVSASTPPHLSVQPTGLTFYPAVDVQAFAVLPNSALASLFLIGMHTTGSMEVSAESNRLVGELKLDRLLLELKHSNIGPFPVELLQDIMNYIVPILVLPRVNEKLQKGFPLPTPARVQLYNVVLQPHQNFLLFGADVVYK +>2i9x.A +SNAMKVTDVRLRKIQTDGRMKALVSITLDEAFVIHDLRVIEGNSGLFVAMPSKRTPDGEFRDIAHPINSDMRQEIQDAVMKVYDETD +>2fb5.A +ASNAMHEWGLSEELKIQTKQMIEIAEKELSIMRNAIDKEDECILCKMEDIHHMLANVQTLAATYYIQAYLSPYTESSSFITTAIQHLSARKHGALIVVERNETLEALIQTGTTLNAHLTAPLLESIFYPGNPLHDGAVLVKNNHIVSAANILPLTKSTEVDPELGTRHRAAIGLSEKSDALILVVSEETGRTSFALNGILYTISL +>5lpa.A +MTLSIPPSIQCQTEAACRLITRVTGDTLRAIHLYGSAVAGGLKPNSDIDLLVTICQPLTEAQRATLMQELLALSSPPGASAEKRALQVTVVLYSQLVPWCFPPSREMQFGEWLREDICQGIYEPAQQDWDMVLLITQILETSIPLKGERAERLFTPAPAAQLLKALRYPLDLWQSTADVQGDEYHIVLTLARIWYTLSTGRFTSKDAAADWLLPQLPEDYAATLRAAQREYLGLEQQDWHILLPAVVRFVDFAKAHIPTQFTKGHHHHHH +>6bwq.A +TADAVLMIEANLDDQTGEGLGYVMNQLLTAGAYDVFFTPIQMKKDRPATKLTVLGNVNDKDLLTKLILQETTTIGVRYQTWQRTIMQRHFLTVATPYGDVQVKVATYQDIEKKMPEYADCAQLAQQFHIPFRTVYQAALVAVDQLDEEA +>1io1.A +FTANIKGLTQASRNANDGISIAQTTEGALNEINNNLQRVRELAVQSANSTNSQSDLDSIQAEITQRLNEIDRVSGQTQFNGVKVLAQDNTLTIQVGANDGETIDIDLKQINSQTLGLDTLNVQQKYKVSDTAATVTGYADTTIALDNSTFKASATGLGGTDQKIDGDLKFDDTTGKYYAKVTVTGGTGKDGYYEVSVDKTNGEVTLAGGATSPLTGGLPATATEDVKNVQVANADLTEAKAALTAAGVTGTASVVKMSYTDNNGKTIDGGLAVKVGDDYYSATQNKDGSISINTTKYTADDGTSKTALNKLGGADGKTEVVSIGGKTYAASKAEGHNFKAQPDLAEAAATTTENPLQKIDAALAQVDTLRSDLAAVQNRFNSAITNLGNTVNNLTSAR +>1rlk.A +MVKKMVIAVRKDLDMGKGKIAAQVAHAAVTCAIRSMKINRDVFNEWYDEGQRKIVVKVNDLDEIMEIKRMADSMGIVNEIVQDRGYTQVEPGTITCIGLGPDEEEKLDKITGKYKLL +>4obi.A +GMQNRGQEAATYQAVLKVDNKVIKVFDLKKDGPHYTYKYEAKDGDYNLIEVDGDRIRVKEANCADLVDVRRGWISKPGETPIACLPHNLFITVEASDGSEDGSLIY +>1uwk.B +MTDNNKYRDVEIRAPRGNKLTAKSWLTEAPLRMLMNNLDPQVAENPKELVVYGGIGRAARNWECYDKIVETLTRLEDDETLLVQSGKPVGVFKTHSNAPRVLIANSNLVPHWANWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYGGSLKGKWVLTAGLGGMGGAQPLAATLAGACSLNIESQQSRIDFRLETRYVDEQATDLDDALVRIAKYTAEGKAISIALHGNAAEILPELVKRGVRPDMVTDQTSAHDPLNGYLPAGWTWEQYRDRAQTEPAAVVKAAKQSMAVHVQAMLDFQKQGVPTFDYGNNIRQMAKEEGVADAFDFPGFVPAYIRPLFCRGVGPFRWAALSGEAEDIYKTDAKVKELIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAKLGLAFNEMVRSGELSAPVVIGRDHLDSGSVSSPNAETEAMRDGSDAVSDWPLLNALLNTAGGATWVSLHHGGGVGMGFSQHSGMVIVCDGTDEAAERIARVLTNDPGTGVMRHADAGYDIAIDCAKEQGLDLPMITG +>4n67.A +MAHHHHHHMEHNYFYKNSATLKNKHGIKNPRKLYERCAHETAREAVNFRLEPPPGKFDAAYLRTIHWCLFHKTFEWAGVTRDQPFTFEDGSTACMPAMRPKGYKVPFAVGSQIQRELKKLEQRLTAKNNLQGLSRQEFAANAAEVFTALDHAHPFRKGNGRTQRMFMEKLGQAAGYKIDFSLITKERMTYASIEAMQHNNPEPMKDLFEDITHPQKSLLLKEFISQM +>1r5l.A +GSHMSPLLQPGLAALRRRAREAGVPLAPLPLTDSFLLRFLRARDFDLDLAWRLLKNYYKWRAECPEISADLHPRSIIGLLKAGYHGVLRSRDPTGSKVLIYRIAHWDPKVFTAYDVFRVSLITSELIVQEVETQRNGIKAIFDLEGWQFSHAFQITPSVAKKIAAVLTDSFPLKVRGIHLINEPVIFHAVFSMIKPFLTEKIKERIHMHGNNYKQSLLQHFPDILPLEYGGEEFSMEDICQEWTNFIMKSEDYLSSISESIQ +>6kty.A +GSHMASVDKKFLSGDPNIVDGQVDPGSAIPGDYAIEVVQLAQKPAAMSNGFPDKDQTQIGVGYIKFETPEGTKEVYINGSNSTLDGVMKQINAANVGLKAQVVEDRKDQENPFKLLVSGLSTGNDSQVTFPKIYLLDGDQDMYFEESRKAQNAKVKVDGFEIELPDNKSTDLVPGVTLDFKSAAPGREIRLSVKEN +>1u84.A +SNAMDGQQLNRLLLEWIGAWDPFGLGKDAYDVEAASVLQAVYETEDARTLAARIQSIYEFAFDEPIPFPHCLKLARRLLELKQAASCPLP +>3vgp.A +GPDLTEDWKEALEWMRTSLEEQNYLNPYEKPEYSVMSWWDYGNWILYVSKKAVVANNFQAGAVDAAKFFTAKSEDEAIKIAKKRGVRYVVTADEITMKDANNTKFPAIMRIAGYNVDLMTEGEILNFFNHTVLYRLHMENAENLTHFRLVKEFGDVKIFEVVGS +>2o6x.A +NDDLWHQWKRMYNKEYNGADDQHRRNIWEKNVKHIQEHNLRHDLGLVTYTLGLNQFTDMTFEEFKAKYLTEMSRASDILSHGVPYEANNRAVPDKIDWRESGYVTEVKDQGNCGSGWAFSTTGTMEGQYMKNERTSISFSEQQLVDCSRPWGNNGCGGGLMENAYQYLKQFGLETESSYPYTAVEGQCRYNKQLGVAKVTGFYTVHSGSEVELKNLVGAEGPAAVAVDVESDFMMYRSGIYQSQTCSPLRVNHAVLAVGYGTQGGTDYWIVKNSWGLSWGERGYIRMVRNRGNMCGIASLASLPMVARFP +>6vjg.A +HHHHHHMKFAVIDRKNFTLIHFEIEKPIKPEILKEIEIPSVDTRKGVVISGRGPIWLHCFLAHKYHHTPFVAVYDPRLGAVVVQSHSELREGDVIDVVVEEILKGGVRHV +>4h9n.C +SPRTRGSRRQIQRLEQLLALYVAEIRRLQEKELDLSELDDPDSAYLQEARLKRKLIRLFGRLCELKDCSSLTGRVIEQRIPYRGTRYPEVNRRIERLINKPGPDTFPDYGDVLRAVEKAAARHSLGLPRQQLQLMAQDAFRDVGIRLQERRHLDLIYNFGCHLTDDYRPGVDPALSDPVLARRLRENRSLAMSRLDEVISKYAMLQDKSEEG +>4tkx.L +DVYTDHGDLYNTPVRMLVVAGAKFKEALKPWLTWKAQKGFYLDVHYTDEAEVGTTNASIKAFIHKKYNDGLAASAAPVFLALVGDTDVISGEKGKKTKKVTDLYYSAVDGDYFPEMYTFRMSASSPEELTNIIDKVLMYEKATMPDKSYLEKVLLIAGADYSWNSQVGQPTIKYGMQYYYNQEHGYTDVYNYLKAPYTGCYSHLNTGVSFANYTAHGSETAWADPLLTTSQLKALTNKDKYFLAIGNCCITAQFDYVQPCFGEVITRVKEKGAYAYIGSSPNSYWGEDYYWSVGANAVFGVQPTFEGTSMGSYDATFLEDSYNTVNSIMWAGNLAATHAGNIGNITHIGAHYYWEAYHVLGDGSVMPYRAMPKTNTYTLPASLPQNQASYSIQASAGSYVAISKDGVLYGTGVANASGVATVSMTKQITENGNYDVVITRSNYLPVIKQIQV +>1mv8.C +MRISIFGLGYVGAVCAGCLSARGHEVIGVDVSSTKIDLINQGKSPIVEPGLEALLQQGRQTGRLSGTTDFKKAVLDSDVSFICVGTPSKKNGDLDLGYIETVCREIGFAIREKSERHTVVVRSTVLPGTVNNVVIPLIEDCSGKKAGVDFGVGTNPEFLRESTAIKDYDFPPMTVIGELDKQTGDLLEEIYRELDAPIIRKTVEVAEMIKYTCNVWHAAKVTFANEIGNIAKAVGVDGREVMDVICQDHKLNLSRYYMRPGFAFGGSCLPKDVRALTYRASQLDVEHPMLGSLMRSNSNQVQKAFDLITSHDTRKVGLLGLSFKAGTDDLRESPLVELAEMLIGKGYELRIFDRNVEYARVHGANKEYIESKIPHVSSLLVSDLDEVVASSDVLVLGNGDELFVDLVNKTPSGKKLVDLVGFMPHTTTAQAEGICW +>1xvg.E +MAKLGIHSNDTRDAWVNKIAQLNTLEKAAEMLKQFRMDHTTPFRNSYELDNDYLWIEAKLEEKVAVLKARAFNEVDFRHKTAFGEDAKSVLDGTVAKMNAAKDKWEAEKIHIGFRQAYKPPIMPVNYFLDGERQLGTRLMELRNLNYYDTPLEELRKQRGVRVVHLQSPH +>1zdy.A +MSEAADVERVYAAMEEAAGLLGVACARDKIYPLLSTFQDTLVEGGSVVVFSMASGRHSTELDFSISVPTSHGDPYATVVEKGLFPATGHPVDDLLADTQKHLPVSMFAIDGEVTGGFKKTYAFFPTDNMPGVAELSAIPSMPPAVAENAELFARYGLDKVQMTSMDYKKRQVNLYFSELSAQTLEAESVLALVRELGLHVPNELGLKFCKRSFSVYPTLNWETGKIDRLCFAVISNDPTLVPSSDEGDIEKFHNYATKAPYAYVGEKRTLVYGLTLSPKEEYYKLGAYYHITDVQRGLLKAFDSLED +>5t76.A +HHHHHHGAEAQKALRKAESLKKCLSVMEAKVKAQTAPNKDVQREIADLGEALATAVIPQWQKDELRETLKSLKKVMDDLDRASKADVQKRVLEKTKQFIDSNPNQPLVILEMESGATAKALNEALKLFKMHSPQTSAMLFTVDNEAGKITCLCQVPQNAANRGLKASEWVQQVSGLMDGKGGGKDVSAQATGKNVGCLQEALQLATSFAQLRLGD +>2p12.A +GHMAGASHDIHPPKVEYFDLRDHTNTDPKGFVRHVDHYRVEPWGLYMARTSDHPQFHYLESWLLPDLGLRASIFHYHPYHQRDQDHYVDIGTFTRGDDVWKSEDHYLDLVVRTGRDTELLDVDELMEAHTTGLLDTATAEQAILTATTAIDGIAAHGHDLGRWLASIGMPIDWRGS +>3d7a.B +MMTMFEEVEVEAYVYPTEDIRKVKKAMLNLIPGLQFEAFDKGEYVILVGRTKDKRALQRLYELFRGQQILDTARMMLEEGYFGEEIIIKVHKQVAYVGKVNFNEDSPLGPITITIRTKEPQKLMKWLAPRTKDGVPIE +>6sms.A +QKEMDRKGLLGYYFKDKDFSNLTMFSPTRYNTLIYDQQTANKLLDKKQQEYQSIRWIGLIQSNKTGDFTFELSDDECAIIEMDGKVISNKGKEKQVVHLEKGKLVPIKIEYQLDEPLNIDDEKFKGFKLLKVDNQKQLHQVQQDELRNPEFNKKESQEFLAKASKINLFTKKIKRDIDEGTDTDGDSIPDMWEENGYTIQNRIAVKWNDSLASKGYTKFVSNPLDSHTVGDPYTDYEKASRDLDLSNAKETFNPLVAAFPSVNVSMEKVILSPNKNLSNSVESHSSTNWSYTNTEGASVEAGIGPKGFSFGVSANYQHSETVAQEWGASIGDTTQLNTASAGYLNANVRYNNVGTGAIYDVKPTTSFVLEKNTIATITAKSNSTALSISPGESYPKKGQNGIAITSMDDFNSHPITLNKKQLDQVLTNNPIMLETDQTDGIYKIKDTHGNIVTGGTWNGVTQQIKAKTASIIVDDGKQVAEKRVAAKDYAYPEDKTPSLTLKDALKLSFPEEIKETDGLLYYNNKPIYESSVMTYLDGNTAKEVKKQINDKTGEFKDVQHLYAVKLTPKMNFTIKVPVAYDTAKQAVNLGGDNPWGAKGLLGTWVNAMVVDNSGDKAYKRVEPGYLLSPTLEFSEGSLDNLKKNYSFYVSMYVKSDKPFTLRINAGPYSTKRTIEASNDFKRVDIPAFYIEGFPIDTIRLEGSDYPSAIWWKDVSITEVSAVKK +>4xqm.A +YRAIKGMETKREIGGYTYKVVFYENVFQDSILLGNFASQEGNVLKYENGQSCWNGPHRSAIVTVECGVENEIVSVLEAQKCEYLIKMKSPAACS +>1m5q.I +FVAELNNLLGREVQVVLSNGEVYKGVLHAVDNQLNIVLANASNKAGEKFNRVFIMYRYIVHIDSTERRIDMREFAKQAEKIFPGMVKYIEETNVVLIGDKVRVSEIGVEGVGPVAERAKRLFEEFLKRYS +>1y7t.B +MKAPVRVAVTGAAGQIGYSLLFRIAAGEMLGKDQPVILQLLEIPQAMKALEGVVMELEDCAFPLLAGLEATDDPKVAFKDADYALLVGAAPRKAGMERRDLLQVNGKIFTEQGRALAEVAKKDVKVLVVGNPANTNALIAYKNAPGLNPRNFTAMTRLDHNRAKAQLAKKTGTGVDRIRRMTVWGNHSSTMFPDLFHAEVDGRPALELVDMEWYEKVFIPTVAQRGAAIIQARGASSAASAANAAIEHIRDWALGTPEGDWVSMAVPSQGEYGIPEGIVYSFPVTAKDGAYRVVEGLEINEFARKRMEITAQELLDEMEQVKALGLI +>4lq4.A +MDREALLQAVKEARELAKPRNFTQSFEFIATLKEIDMRKPENRIKTEVVLPHGRGKEAKIAVIGTGDLAKQAEELGLTVIRKEEIEELGKNKRKLRKIAKAHDFFIAQADLMPLIGRYMGVILGPRGKMPKPVPANANIKPLVERLKKTVVINTRDKPYFQVLVGNEKMTDEQIVDNIEAVLNVVAKKYEKGLYHIKDAYVKLTMGPAVKV +>3fm2.A +GMSHSLKDFLEACETLGTLRLIVTSSAAVLEARGKIEKLFYAELAKGKYANMHTEGFEFHLNMEKITQVKFETGEAKRGNFTTYAIRFLDEKQESALSLFLQWGKPGEYEPGQVEAWHTLKEKYGEVWEPLPVQL +>1jq5.A +MAAERVFISPAKYVQGKNVITKIANYLEGIGNKTVVIADEIVWKIAGHTIVNELKKGNIAAEEVVFSGEASRNEVERIANIARKAEAAIVIGVGGGKTLDTAKAVADELDAYIVIVPTAASTDAPTSALSVIYSDDGVFESYRFYKKNPDLVLVDTKIIANAPPRLLASGIADALATWVEARSVIKSGGKTMAGGIPTIAAEAIAEKCEQTLFKYGKLAYESVKAKVVTPALEAVVEANTLLSGLGFESGGLAAAHAIHNGFTALEGEIHHLTHGEKVAFGTLVQLALEEHSQQEIERYIELYLCLDLPVTLEDIKLKDASREDILKVAKAATAEGETIHNAFNVTADDVADAIFAADQYAKAYKEKHRK +>1lr0.A +MRALAELLSDTTERQQALADEVGSEVTGSLDDLIVNLVSQQWRRPPSARNGMSVEVLIEMLPDGTITNASVSRSSGDKPFDSSAVAAVRNVGRIPEMQQLPRATFDSLYRQRRIIFKPEDLSLHHHHHH +>1uoy.A +DTCGSGYNVDQRRTNSGCKAGNGDRHFCGCDRTGVVECKGGKWTEVQDCGSSSCKGTSNGGATC +>6l3r.E +GAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVAKSTLDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHKEDIDAAIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGNKRPGAFAIYLEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVWGEEFEKLYASYEKQGRVRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKDEVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKGILQYDMWNVTPTDLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIYTRRVLSGEFQIVNPHLLKDLTERGLWHEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKLTSMHFYGWKQGLKTGMYYLRTR +>1xo7.B +MPVVTDKVYFDITIGDEPVGRVVIGLFGNDVPKTVENFKQLASGENGFGYKGSIFHRVIRNFMIQGGDFTNFDGTGGKSIYGTRFDDENLKIKHFVGAVSMANAGPNSNGSQFFVTTAPTPWLDGRHVVFGKVVEGMDVVKKVENTKTGLNDKPKKAVKINDCGVL +>3o0g.D +QASTSELLRCLGEFLCRRCYRLKHLSPTDPVLWLRSVDRSLLLQGWQDQGFITPANVVFLYMLCRDVISSEVGSDHELQAVLLTCLYLSYSYMGNEISYPLKPFLVESCKEAFWDRCLSVINLMSSKMLQINADPHYFTQVFSDLKNES +>3lvu.D +SNAGMTGFVINTRRAPFDDWRLREALLLAFNFEFINDTVTGGVMPRITSYFSGTDLAYRPGTASGREAELLAPFAADLPPGTLEGYALPQGDGTARNRTNLRRAAQFLEQAGFRIEQGQLLGPDGAPLALRFLLRQGDSDMQTVLEIYTRALERLGIAAQIEKVDNAQYTARVAELDFDLTPFRRDLSLSPGNEQRLYWGSHSAGQPGTRNLMGAASPAIDAMIDRMLAATTEDELTAATRALDRVLTAGRYVIPIWR +>1qcs.A +GSHNMAGRSMQAARCPTDELSLSNCAVVSEKDYQSGQHVIVRTSPNHKYIFTLRTHPSVVPGSVAFSLPQRKWAGLSIGQEIEVALYSFDKAKQCIGTMTIEIDFLQKKNIDSNPYDTDKMAAEFIQQFNNQAFSVGQQLVFSFNDKLFGLLVKDIEAMDPSILKGEPASGKRQKIEVGLVVGNSQVAFEKAENSSLNLIGKAKTKENRLE +>2zca.B +MSPGERFLDWLKRLQGQKAWTAARAAFRRSLAFPPGAYPRAMPYVEPFLAKGDWRQEEREAHYLVAALYALKDGDHQVGRTLARALWEKAQGSASVEKRFLALLEADRDQIAFRLRQAVALVEGGIDFARLLDDLLRWFSPERHVQARWAREYYGAGASEEEKKKEVEA +>3gnu.P +AVINHDAVPVWPQPEPADATQALAVRFKPQLDVVNGCQPYPAVDPQGNTSGGLKPSGSQAAACRDMSKAQVYSRSGTYNGYYDIMYSWYMPKDSPSIGIGHRHDWENVVVWLDNAASANIVALSASAHSGYKKSFPADKSYLDGITAKISYKSTWPLDHELGFTTSAGKQQPLIQWEQMTQAARDALESTDFGNANVPFKSNFQDKLVKAFFQ +>1juv.A +MIKLVFRYSPTKTVDGFNELAFGLGDGLPWGRVKKDLQNFKARTEGTIMIMGAKTFQSLPTLLPGRSHIVVCDLARDYPVTKDGDLAHFYITWEQYITYISGGEIQVSSPNAPFETMLDQNSKVSVIGGPALLYAALPYADEVVVSRIVKRHRVNSTVQLDASFLDDISKREMVETHWYKIDEVTTLTESVYK +>1qdd.A +QEAQTELPQARISCPEGTNAYRSYCYYFNEDRETWVDADLYCQNMNSGNLVSVLTQAEGAFVASLIKESGTDDFNVWIGLHDPKKNRAWHWSSGSLVSYKSWGIGAPSSVNPGYCVSLTSSTGFQKWKDVPCEDKFSFVCKFKN +>2i7c.C +GSKKWFSEFSIMWPGQAFSLKIKKILYETKSKYQNVLVFESTTYGKVLVLDGVIQLTEKDEFAYHEMMTHVPMTVSKEPKNVLVVGGGDGGIIRELCKYKSVENIDICEIDETVIEVSKIYFKNISCGYEDKRVNVFIEDASKFLENVTNTYDVIIVDSSDPIGPAETLFNQNFYEKIYNALKPNGYCVAQCESLWIHVGTIKNMIGYAKKLFKKVEYANISIPTYPCGCIGILCCSKTDTGLTKPNKKLESKEFADLKYYNYENHSAAFKLPAFLLKEIENI +>5el3.B +GAINKNMKLGQKVLIPVKQFPKFNFVGKLLGPRGNSLKRLQEETLTKMSILGKGSMRDKAKEEELRKSGEAKYFHLNDDLHVLIEVFAPPAEAYARMGHALEEIKKFLIPDYN +>3e4w.B +MHHHHHHMSGGLTPDQAIDAIRGTGGAQPGCRALHAKGTLYRGTFTATRDAVMLSAAPHLDGSTVPALIRFSNGSGNPKQRDGAPGVRGMAVKFTLPDGSTTDVSAQTARLLVSSTPEGFIDLLKAMRPGLTTPLRLATHLLTHPRLLGALPLLREANRIPASYATTEYHGLHAFRWIAADGSARFVRYHLVPTAAEEYLSASDARGKDPDFLTDELAARLQDGPVRFDFRVQIAGPTDSTVDPSSAWQSTQIVTVGTVTITGPDTEREHGGDIVVFDPMRVTDGIEPSDDPVLRFRTLVYSASVKLRTGVDRGAQAPPV +>4ew5.A +HRKNGGKPDHVESDISYAVARQLAVNLGLTGYQSLPPGIAKNLARGKPLPPGIAKKTVPASMLGQLPYYPGYEWKIVGDNLVLIALSTAVVTAIINGVFDLE +>4cv4.A +QIQPKPGFCVKTNSSEGKVFINICHSPSIPPPADVTEDELLQMLEEDQAGFRIPMSLGEPHAELDAKGQGCTAYDVAVNSNFYLRMQNSDFLRELVVTIAREGLEDKYGLQLNPEWRMLKYRSFLGSISQQNI +>5op0.B +ATELDVDGVKVRFTNPDKVYFPKLGKNGTKGKLVEYYLSVASGPMLALLRDRPVHLQRFPDGIEGEEIYQKRVPQKHPDYLETCVVTFPSGRTADALKITHPSSIIWAAQMGTVTLHPWQVRCPDTEHPDELRVDLDPQPGTGFKEARTVACDVLKPLLDELGLVGYPKTSGGRGVHVFLRIKPQWDFIEVRRAGIALAREVERRAPDAVTTSWWKEERGERLFIDYNQNARDRTFASAYSVRKTPIATVSMPLSWDELRNADPDDYTMNTVPDLLAGRDDPWADIDSVQQSLGPLLDLVAADEERGLGDLPYPPNYPKMPGEPPRVQPSK +>1jo0.A +TTLSTKQKQFLKGLAHHLNPVVMLGGNGLTEGVLAEIENALNHHELIKVKVAGADRETKQLIINAIVRETKAAQVQTIGHILVLYRPSEEAKIQLPRK +>5ygh.A +RVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINAR +>3bpt.A +MTDAAEEVLLGKKGCTGVITLNRPKFLNALTLNMIRQIYPQLKKWEQDPETFLIIIKGAGGKAFCAGGDIRVISEAEKAKQKIAPVFFREEYMLNNAVGSCQKPYVALIHGITMGGGVGLSVHGQFRVATEKCLFAMPETAIGLFPDVGGGYFLPRLQGKLGYFLALTGFRLKGRDVYRAGIATHFVDSEKLAMLEEDLLALKSPSKENIASVLENYHTESKIDRDKSFILEEHMDKINSCFSANTVEEIIENLQQDGSSFALEQLKVINKMSPTSLKITLRQLMEGSSKTLQEVLTMEYRLSQACMRGHDFHEGVRAVLIDKDQSPKWKPADLKEVTEEDLNNHFKSLGSSDLKFAENLYFQ +>3vnb.A +MNKKMINGGTVNNWICINFSRQVQDNLARTFCQELAQMCYVSGMAFNPEPVLPPVSARPEQVEKVLKTRYHDATSKLSQGKEIDLLIVILPDKKNSDLYGDLKRICETELGIVSQCCLTKHVFKMSKQYMANVALKINVKVGGRNTVLVHHHHHH +>5b1n.A +GAMAAGVKQLADDRTLLMAGVSHDLRTPLTRIRLATEMMSEQDGYLAESINKDIEECNAIIEQFIDYLR +>2qev.A +METVQDCENKLPPSLKSRLCEIRRYEIIEGPEMDKHIHCVMRALDFVYEDGRGDYHKLYDPLNIIELDKRHDVNLEKCIGECVQVPTSERAHVFYKCLLKSTTGRTFKKVFDLMELKKAGKVPQHQRYTAEFVQIMKDYDKALNC +>2y44.A +KVEEVQTMCDVARQLRALETASQSAVAAVVSSAREASEAKERAEKAVERAKSKKRGVDTATEAAARAAAAAQRAETVVSDARKHAADLTAASKDAIETTDESLRLLATCEADEPIRTAAKKCTGAAAEVTSKSLESAFDALAELLPDGADDIREHGAVFVKGLKSLEDDVRTAGEAKYEAEKAE +>7qsu.A +SGKAVDGNTLVLTEEFGLVKIKELYEKLDGKGRKTVEGNEEWTELETPVTVYGYRNGRIVGIKATHIYKGISSGMIEIRTRTGRKIKVTPIHKLFTGRVTKDGLALEEVMAMHIKPGDRIAVVKKIDGGEYVKLTTSPDFRKSRKIKVPEVLDEDLAEFLGYLIADGTLKPRTVAIYNNDESLLKRANFLSTKLFGINGKIVQERTVKALLIHSKPLVDFFRKLGIPESKKARNWKVPRELLLSPPSVVKAFINAYIVCDGYYHERKGEIEITTASEEGAYGLSYLLAKLGIYATFRKKQIKGKEYYRIAISGKTNLEKLGIKRETRGYTNIDIVILFDEVVEVKYIPEPQEVYDITTETHNFVGGNMPTLLHN +>3fhf.A +GNHHHHHMMLIKKIEELKNSEIKDIIDKRIQEFKSFKNKSNEEWFKELCFCILTANFTAEGGIRIQKEIGDGFLTLPREELEEKLKNLGHRFYRKRAEYIVLARRFKNIKDIVESFENEKVAREFLVRNIKGIGYKEASHFLRNVGYDDVAIIDRHILRELYENNYIDEIPKTLSRRKYLEIENILRDIGEEVNLKLSELDLYIWYLRTGKVLK +>7p46.A +KNLRDLEPGIHTDLEGRLTYGGYLRLDQLLSAQQPLSEPAHHDEMLFIIQSQTSELWLKLLAHELRAAIVHLQRDEVWQCRKVLARSKQVLRQLTEQWSVLETLTPSEYMGFRDVLGPSSGFQSLQYRYIEFLLGNKNPQMLQVFAYDPAGQARLREVLEAPSLYEEFLRYLARFGHAIPQQYQARDWTAAHVADDTLRPVFERIYENTDRYWREYSLCEDLVDVETQFQLWRFRHMRTVMRVIGFKRGTGGSSGVGFLQQALALTFFPELFDVRTSVGVDN +>5ydn.A +MNYATVNDLCARYTRTRLDILTRPKTADGQPDDAVAEQALADASAFIDGYLAARFVLPLTVVPSLLKRQCCVVAWFYLNESQPTEQITATYRDTVRWLEQVRDGKTDPG +>3ncl.A +VVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPISLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV +>7e2s.A +MSDNLTELSQQLHDASEKKQLTAIAALAEMGEGGQGILLDYLAKNVPLEKPVLAVGNVYQTLRNLEQETITTQLQRNYPTGIFPLQSAQGIDYLPLQEALGSQDFETADEITRDKLCELAGPGASQRQWLYFTEVEKFPALDLHTINALWWLHSNGNFGFSVQRRLWLASGKEFTKLWPKIGWKSGNVWTRWPKGFTWDLSAPQGHLPLLNQLRGVRVAESLYRHPVWSQYGW +>2nuk.A +LASIFVDVSSVEPGVQLTVKFLGKPIFIRRRTEADIELGRSVQLGQLVDTNARNANIDAGAEATDQNRTLDEAGEWLVMWGVCTHLGCVPIGGVSGDFGGWFCPCHGSHYDSAGRIRKGPAPENLPIPLAKFIDETTIQLG +>3h5q.A +SNAMRMIDIIEKKRDGHTLTTEEINFFIGGYVKGDIPDYQASSLAMAIYFQDMNDDERVALTMAMVNSGDMIDLSDIKGVKVDKHSTGGVGDTTTLVLAPLVAAVDVPVAKMSGRGLGHTGGTIDKLEAIDGFHVEIDEATFVKLVNENKVAVVGQSGNLTPADKKLYALRDVTGTVNSIPLIASSIMSKKIAAGADAIVLDVKTGSGAFMKTLEDAEALAHAMVRIGNNVGRNTMAIISDMNQPLGRAIGNALELQEAIDTLKGQGPKDLTELVLTLGSQMVVLANKAETLEEARALLIEAINSGAALEKFKTFIKNQGGDETVIDHPERLPQAQYQIEYKAKKSGYVTELVSNDIGVASMMLGAGRLTKEDDIDLAVGIVLNKKIGDKVEEGESLLTIHSNRQDVDDVVKKLDSSITIADHVVSPTLIHKIITE +>1o75.A +CGSSSHETSYGYATLSYADYWAGELGQSRDVLLAGNAEADRAGDLDAGMFDAVSRATHGHGAFRQQFQYAVEVLGEKVLSKQETEDSRGRKKWEYETDPSVTKMVRASASFQDLGEDGEIKFEAVEGAVALADRASSFMVDSEEYKITNVKVHGMKFVPVAVPHELKGIAKEKFHFVEDSRVTENTNGLKTMLTEDSFSARKVSSMESPHDLVVDTVGTGYHSRFGSDAEASVMLKRADGSELSHREFIDYVMNFNTVRYDYYGDDASYTNLMASYGTKHSADSWWKTGRVPRISCGINYGFDRFKGSGPGYYRLTLIANGYRDVVADVRFLPKYEGNIDIGLKGKVLTIGGADAETLMDAAVDVFADGQPKLVSDQAVSLGQNVLSADFTPGTEYTVEVRFKEFGSVRAKVVAQ +>3d2q.A +SRTDRLEVCREYQRGNCNRGENDCRFAHPADSTMIDTNDNTVTVCMDYIKGRCSREKCKYFHPPAHLQAK +>2y1q.A +MMFGRFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVESLIGRAQEMSQTIHYTPRAKKVIELSMDEARKLGHSYVGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGNNETGSS +>1wui.S +LMGPRRPSVVYLHNAECTGCSESVLRAFEPYIDTLILDTLSLDYHETIMAAAGDAAEAALEQAVNSPHGFIAVVEGGIPTAANGIYGKVANHTMLDICSRILPKAQAVIAYGTCATFGGVQAAKPNPTGAKGVNDALKHLGVKAINIAGCPPNPYNLVGTIVYYLKNKAAPELDSLNRPTMFFGQTVHEQCPRLPHFDAGEFAPSFESEEARKGWCLYELGCKGPVTMNNCPKIKFNQTNWPVDAGHPCIGCSEPDFWDAMTPFYQN +>3lwx.A +GQSLRSFQKQNEDNDKRQQILRSINVNVSSSEAETKYNELIKEAFLVNENGEKVEGDAFATDVVKAATEHQYPVFVANVDGQPKYIMALHGAGLWGPLWGYISVDSDKNTIYGADFSHQGETPGLGAEISKPVFSNEFKGKKIFMSGEFKSVAVVKPGKSVAGQDYVDGISGGTITSKGVDEMLFNSLSGYVKFLTSQN +>5cfl.A +GSNVADGLAWSYYFGYLKFVLPELEKQIEKTSKFRSKEKFVKKMFILIPSNCFWDDKIPGSDYDPQNRITFEGNTEPLEKTRGGVFLRHYKHSVYEIKDGENEPWFCIMEYATPLLTLYDMSVAQPGELSREERDAQVVVFLRKLQDILEGDRACQGKYELVTFSPDRDLADVMLRKLKDSELEIGG +>1gqe.A +MFEINPVNNRIQDLTERSDVLRGYLDYDAKKERLEEVNAELEQPDVWNEPERAQALGKERSSLEAVVDTLDQMKQGLEDVSGLLELAVEADDEETFNEAVAELDALEEKLAQLEFRRMFSGEYDSADCYLDIQAGSGGTEAQDWASMLERMYLRWAESRGFKTEIIEESEGEVAGIKSVTIKISGDYAYGWLRTETGVHRLVRKSPFDSGGRRHTSFSSAFVYPEVDDDIDIEINPADLRIDVYRASGAGGQHVNRTESAVRITHIPTGIVTQCQNDRSQHKNKDQAMKQMKAKLYEVEMQKKNAEKQAMEDNKSDIGWGSQIRSYVLDDSRIKDLRTGVETRNTQAVLDGSLDQFIEASLKAGL +>3nrl.B +MSEHREGTLFYDTETGRYDIRFDLESFYGGLHCGECFDVKVKDVWVPVRIEMGDDWYLVGLNVSRLDGLRVRMLEHHHHHH +>3nke.B +GGARSDKLLYQAKLALDEDLRLKVVRKMFELRFGEPAPARRSVEQLRGIEGSRVRATYALLAKQYGVTWNGRRYDPKDWEKGDTINQCISAATSCLYGVTEAAILAAGYAPAIGFVHTGKPLSFVYDIADIIKFDTVVPKAFEIARRNPGEPDREVRLACRDIFRSSKTLAKLIPLIEDVLAAGEIQPPAPPEDAQPVAI +>3q1c.A +SHMASSWDEMSCAEKLLKVLSFGLWNPTYSRSERQSFQELLTVLEPVYPLPNELGRVSARFSDGSSLRISVTNSESIEAEIRTPDNEKITVLLESNEQNRLLQSLPIDRHMPYIQVHRALSEMDLTDTTSMRNLLGFTSKLSTTLIPHNAQTDPLSGPTPFSSIFMDTCRGLGNAKLSLNGVDIPANAQMLLRDALGLKDTHSSPSRNVIDHGISRHDAEQIARESSGSDNQKAEVVEFLCHPEAATAICSAFYQSFNVPALTLTHERISKASEYNAERSLDTPNACINISISQSSDGNIYVTSHTGVLIMAPEDRPNEMGMLTNRTSYEVPQGVKCTIDEMVRALQPRYAASETYLQNT +>4ddp.A +LELDDELKSVENQMRYAQTQLDKLKKTNVFNATFHIWHSGQFGTINNFRLGRLPSVPVEWNEINAAWGQTVLLLHALANKMGLKFQRYRLVPYGNHSYLESLTDKSKELPLYCSGGLRFFWDNKFDHAMVAFLDCVQQFKEEVEKGETRFCLPYRMDVEKGKIEDTGGSGGSYSIKTQFNSEEQWTKALKFMLTNLKWGLAWVSSQFYNK +>2y39.A +SHRNEAGHGDLHEILHEAVPLDANEREILELKEDAFAQRRREIETRLRAANGKLADAIAKNPAWSPEVEAATQEVERAAGDLQRATLVHVFEMRAGLKPEHRPAYDRVLIDALRRGSQ +>4jja.A +GQKSDVIIGAEQTKAYFPILKNKRIAIFSNHTGMVGNKHLLDILLENNFNVVAIFSPEHGFRGNADAGEHVSSTIDSKTGVPILSLYNGKSKKPSEASMKKFDILIVDIQDVGLRFYTYYISMVRLMDACAEYDRKILILDRPNPNGHYVDGPILDMKYKSGVGGLPIPIVHGMTLGELALMVNGERWLPSSRICDVTVIPCKNYTHQTMYRLPIPPSPNLPNMKAIYLYPSICLFEGTPVSLGRGTTLPFQVYGHPNMTGYNYNFTPRSIPGAKNPPQLNKLCHGVNLSNLSDEEIWKKGINLDYLIDAYHNLNMGDRFFRPFFELLVGTDYVRKMIEGGKSADEIKARWKRDVERFKIQRKPYLLYQDN +>1ctf.A +AAEEKTEFDVILKAAGANKVAVIKAVRGATGLGLKEAKDLVESAPAALKEGVSKDDAEALKKALEEAGAEVEVK +>3dgp.B +ARARKGALVQCDPSIKALILQIDAKMSDIVLEELDDTHLLVNPSKVEFVKHELNRLLSKNIYNPMDEEENQ +>2w39.A +ATYHLEDNWVGSAFLSTFTHEAIADPTHGRVNYVDQATALAKNLTYASGDTLILRADHTTTLSPSGPGRNSVRIRSIKTYTTHVAVFDVRHMPQGCGTWPAAWETDEGDWPNGGEVDIIEGVNDQSPNAMTLHTGANCAMPASRTMTGHATNNNCDVNTDGNTGCGVQAPTANSYGPSFNANGGGWYAMERTNSFIKVWFFPRNAGNVPNDIASGPATINTDNWGTPTAFFPNTNCDIGSHFDANNIIINLTFCGDWAGQASIFNGAGCPGSCVDYVNNNPSAFANAYWDIASVRVYQ +>1x6j.A +GSHMDINNKARIHWACRRGMRELDISIMPFFEHEYDSLSDDEKRIFIRLLECDDPDLFNWLMNHGKPADAELEMMVRLIQTRNRERGPVAI +>1wx1.B +MDPEVFAQARLRMDQLTKPPRALGYLEEVALRLAALQGRVKPELGRGAVVVAAADHGVVAEGVSAYPQEVTRQMVLNFLRGGAAINQFALAADCAVYVLDVGVVGELPDHPGLLKRKVRPGTANLAQGPAMTPEEAERALLAGREAARRAIAEGATLLAAGDMGIGNTTAAAALTAALLGLPPEAVVGRGTGVGEEGLRRKRQAVARALARLHPGMGPLEVAAEVGGLELVAIAGIYLEGYEAGLPLVLDGFPVTAGALLAWKMAPGLRDHLFAGHLSREPGHRHQLEALGLRPLLDLDLALGEGTGAVLAMPLLRAAARILHMATFQEAGVSRG +>1h8e.G +ATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAERELKPARVYGVGSLALYEKADIKTPEDKKKHLIIGVSSDRGLCGAIHSSVAKQMKSEAANLAAAGKEVKIIGVGDKIRSILHRTHSDQFLVTFKEVGRRPPTFGDASVIALELLNSGYEFDEGSIIFNRFRSVISYKTEEKPIFSLDTISSAESMSIYDDIDADVLRNYQEYSLANIIYYSLKESTTSEQSARMTAMDNASKNASEMIDKLTLTFNRTRQAVITKELIEIISGAAAL +>2i2f.A +MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGNGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIGKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIEDLEHHHHHH +>1j8e.A +GSHSCSSTQFKCNSGRCIPEHWTCDGDNDCGDYSDETHANCTNQ +>2jhf.B +STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGESIRTILTF +>6avj.B +PARSVVALKTPIKVELVAGKTYRWCVCGRSKKQPFCDGSCFFQRTGLSPLKFKAQETRMVALCTCKATQRPPYCDGTCRSERVQKAEVGSPL +>3omd.B +LYFQGMDLTKQFPRSPVDRLGGMDHLKRVIDKARAHVAGTLGEYTYNCPLDQAFFSFFGLDHEKFAEAVKSRPQDQDMLAWVHSQSPRSKNPKEVESFNREYESRSPDSPEKWDYFRSVRDSLAPGRTDITTWVKLLDLEEKRPV +>2in8.A +CLAEGTRIFDPVTGTTHRIEDVVGGRKPIHVVAAAKDGTLHARPVVSWFDQGTRDVIGLRIAGGAILWATPDHKVLTEYGWRAAGELRKGDRVAVRDVETGELRYSVIREVLPTRRARTFGLEVEELHTLVAEGVVVHN +>2hgx.B +ASSSFKAADLQLEMTQKPHKKPGPGEPLVFGKTFTDHMLMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILCPVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTAAQVCPVHRILYKDRNLHIPTMENGPELILRFQKELKEIQYGIRAHEWMFPV +>2xvs.A +SMRQREQQLLEFLDRLTSLLESKGKVKTKKLQSMLGSLRPAHLGPCSDGHYQSASGQKVTLELKPLSTLQPGVNSGAVILGKVVFSLTTEEKVPFTFGLVDSDGPCYAVMVYNIVQSWGVLIGDSVAIPEPNLRLHRIQHKGKDYSFSSVRVETPLLLVVNGKPQG +>5w82.E +HMMPSEDYAIWYARATIAALQAAEYRLAMPSASYTAWFTDAVSDKLDKISESLNTLVECVIDKRLAVSVPEPLPVRVENKVQVEVEDEVRVRVENKVDVEVKN +>4rgi.A +SNAMQRQPVSSSRILSIGYDPDNRMLEIQFREQGTYQYLGVPERAHQNFMSAVSKGRFFDGVIKGKFLCRKIG +>1dow.A +KAHVLAASVEQATENFLEKGDKIAKESQFLKEELVVAVEDVRKQGDLMKSAAGEFADDPCSSVKRGNMVRAARALLSAVTRLLILADMADVYKLLVQLKVVEDGILKLRNAGNEQDLGIQYKALKPEVDKLNIMAAKRQQELKDVGNRDQMAAARGILQKNVPILYTASQACLQHPDVAAYKANRDLIYKQLQQAVTGISNAAQA +>4za9.A +MSAQPAHLCFRSFVEALKVDNDLVEINTPIDPNLEAAAITRRVCETNDKAPLFNNLIGMKNGLFRILGAPGSLRKSSADRYGRLARHLALPPTASMREILDKMLSASDMPPIPPTIVPTGPCKENSLDDSEFDLTELPVPLIHKSDGGKYIQTYGMHIVQSPDGTWTNWSIARAMVHDKNHLTGLVIPPQHIWQIHQMWKKEGRSDVPWALAFGVPPAAIMASSMPIPDGVTEAGYVGAMTGSSLELVKCDTNDLYVPATSEIVLEGTLSISETGPEGPFGEMHGYIFPGDTHLGAKYKVNRITYRNNAIMPMSSCGRLTDETHTMIGSLAAAEIRKLCQQNDLPITDAFAPFESQVTWVALRVDTEKLRAMKTTSEGFRKRVGDVVFNHKAGYTIHRLVLVGDDIDVYEGKDVLWAFSTRCRPGMDETLFEDVRGFPLIPYMGHGNGPAHRGGKVVSDALMPTEYTTGRNWEAADFNQSYPEDLKQKVLDNWTKMGFSNLEHHHHHH +>3l4h.A +LLLQSPAVKFITNPEFFTVLHANYSAYRVFTSSTCLKHMILKVRRDARNFERYQHNRDLVNFINMFADTRLELPRGWEIKTDQQGKSFFVDHNSRATTFIDPRIPLQNG +>5b3p.A +MRLERVLEEARAKGYPIEDNGLGNLWVVLPRERFKEEMAHYKAMGFNFLADIVGLDYLTYPDPRPERFAVVYELVSLPGWKDGDGSRFFVRVYVPEEDPRLPTVTDLWGSANFLEREVYDLFGIVFEGHPDLRK +>2q9r.A +GMTKKTGFFKRLKALTLPQKQLFATALCQRMLPNYQLFSEVCEFGDPAVLSTALELLWQSLYDPKLKFNIDVHLQRLEDNTPEPADFEAYGVYPAMDAVVAISTLLGAIQGKIEEDIVNISKLSSSTVANYIEAISDVDLVDEALDDFVFAHEVMEEEKELQNSLLEIIEENPKITAELVKGLRKDIIETGVSNIGISVA +>3mx7.A +MTDLVAVWDVALSDGVHKIEFEHGTTSGKRVVYVDGKEEIRKEWMFKLVGKETFYVGAAKTKATINIDAISGFAYEYTLEINGKSLKKYM +>6pxz.B +QRWVQFMKEAGQGSRDMWRAYSDMKKANWKNSDKYFHARGNYDAARRGPGGAWAAKVISDAREAVQKFTGHGAEDSRADQFANEWGRSGKDPNHFRPAGLPKRY +>3q1n.A +GMITIENSKFKAGIAERGAELQSLVNKADNYEYVWTGDKTFWNRHAPILFPSIGKSNQDQYRLGAKTYPMSQHGFARDYDFDVSDKSDSAVTFTQHQNAETLKKFPFEYTLAVTYMLTDGGLSVHYTVTNDDSKSMPFALGFHPAFNVGLKADGSFDDYDLTVEPLNSPLQRFGIGPVPFRNGDVEDIPGAEGNRLPLTHDLLDGGLVILANSEIAKATLASPHHDHSITLDISDFPYLTIWSPEHKKAPFIAVEPFDGLPDQAGEPTDWYTKLGNTTLSAGANKQLALKVELH +>1o0s.A +KSVAHHEDVYSHNLPPMDEKEMALYKLYRPERVTPKKRSAELLKEPRLNKGMGFSLYERQYLGLHGLLPPAFMTQEQQAYRVITKLREQPNDLARYIQLDGLQDRNEKLFYRVVCDHVKELMPIVYTPTVGLACQNFGYIYRKPKGLYITINDNSVSKIYQILSNWHEEDVRAIVVTDGERILGLGDLGAYGIGIPVGKLALYVALGGVQPKWCLPVLLDVGTNNMDLLNDPFYIGLRHKRVRGKDYDTLLDNFMKACTKKYGQKTLIQFEDFANPNAFRLLDKYQDKYTMFNDDIQGTASVIVAGLLTCTRVTKKLVSQEKYLFFGAGAASTGIAEMIVHQMQNEGISKEEACNRIYLMDIDGLVTKNRKEMNPRHVQFAKDMPETTSILEVIRAARPGALIGASTVRGAFNEEVIRAMAEINERPIIFALSNPTSKAECTAEEAYTFTNGAALYASGSPFPNFELNGHTYKPGQGNNAYIFPGVALGTILFQIRHVDNDLFLLAAKKVASCVTEDSLKVGRVYPQLKEIREISIQIAVEMAKYCYKNGTANLYPQPEDLEKYVRAQVYNTEYEELINATYDWPEQDMRHGFPVPVVRHDSMDG +>1ojh.C +MNQPIELSLEQQFSIRSFATQVQNMSHDQAKDFLVKLYEQMVVREATYQELLKHQWGLDSGSTPA +>2ebb.A +MRLTEEEVQALLEKADGWKLADERWIVKKYRFQDYLQGIEFVRRIAAISENANHHPFISIDYKLITVKLSSWRAKGLTKLDFDLAKQYDEVYNQMKQGEGE +>3g5k.D +HMSFSHVCQVGDPVLRGVAAPVERAQLGGPELQRLTQRLVQVMRRRRCVGLSAPQLGVPRQVLALELPEALCRECPPRQRALRQMEPFPLRVFVNPSLRVLDSRLVTFPEGCESVAGFLACVPRFQAVQISGLDPNGEQVVWQASGWAARIIQHEMDHLQGCLFIDKMDSRTFTNVYWMKVND +>2rff.A +GMGKGKSAIESQIRMLKLAKEIVEEVASSFPNLEEVYIFGSRARGDYLDTSDIDILFVFKGIKEMNVFDRMYMVSRFIRGNVDYIVLDEGEKDRVKDKVLFWKREKGFVLL +>2gec.A +PRPPKVGSSGNASWFQAIKAKKLNSPQPKFEGSGVPDNENLKTSQQHGYWRRQARFKPGKGRRKPVPDAWYFYYTGTGPAADLNWGDSQDGIVWVAAKGADVKSRSNQGTRDPDKFDQYPLRFSDGGPDGNFRWDFIPL +>3mmy.D +TGTTIKFNPPTGTDTMVKAGVSTNISTKHQCITAMKEYESKSLEELRLEDYQANRK +>4xb5.A +MGSSHHHHHHPFTIDSARGIFPNTLAADVVPATIARFSQLNAEDQLALIWFAYLEMGKTLTIAAPGAASMQLAENALKEIQAMGPLQQTQAMCDLANRADTPLCRTYASWSPNIKLGFWYRLGELMEQGFVAPIPAGYQLSANANAVLATIQGLESGQQITVLRNAVVDMGFTAGKDGKRIAEPVVPPQDTASRTKVSIEGVTNATVLNYMDNLNANDFDTLIELFTSDGALQPPFQRPIVGKENVLRFFREECQNLKLIPERGVTEPAEDGFTQIKVTGKVQTPWFGGNVGMNIAWRFLLNPEGKIFFVAIDLLASPKELLNFAR +>3h93.A +SNADDYTAGKEYVELSSPVPVSQPGKIEVVELFWYGCPHCYAFEPTIVPWSEKLPADVHFVRLPALFGGIWNVHGQMFLTLESMGVEHDVHNAVFEAIHKEHKKLATPEEMADFLAGKGVDKEKFLSTYNSFAIKGQMEKAKKLAMAYQVTGVPTMVVNGKYRFDIGSAGGPEETLKLADYLIEKERAAAKK +>2vfx.C +GMALQLSREQGITARGSAEIVAEFFSFGINSILYQRGIYPSETFTRVQKYGLTLLVTTDLELIKYLNNVVEQLKDWLYKSSVQKLVVVISNIESGEVLERWQFDIESDKTAKDDSAPREKSQKAIQDEIRSVIRQITATVTFLPLLEVSCSFDLLIYTDKDLVVPEKWEESGPQFITNSEEVRLRSFTTTIHKVNSMVAYKIPVND +>2vh3.A +AFACSFPPSEIPGSKECLAEALQKHQGFKKKSYALICAYLNYKEDAENYERAAEDFDSAVKCTGCKEGVDLHEGNPELIEEGFEKFLASLKIDRKALGSLCTLFQKLYAIPHN +>3zr8.X +GPTEKAAVKKMAKAIMADPSKADDVYQKWADKGYTLTQLSDFLKSKTRGKYDRVYNGYMTYRDYV +>1j8r.A +WNNIVFYSLGDVNSYQGGNVVITQRPQFITSWRPGIATVTWNQCNGPEFADGFWAYYREYIAWVVFPKKVMTQNGYPLFIEVHNKGSWSEENTGDNDSYFFLKGYKWDERAFDAGNLCQKPGEITRLTEKFDDIIFKVALPADLPLGDYSVKIPYTSGMQRHFASYLGARFKIPYNVAKTLPRENEMLFLFKNIGG +>1rqj.A +MDFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPFLVYATGHMFGVSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPTCHVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDRISMISELASASGIAGMCGGQALDLDAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAGDKGRRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYPALLGLEQARKKARDLIDDARQSLKQLAEQSLDTSALEALADYIIQRNK +>3v68.A +MIERILEFTAKHEEWIVGENVEDFTNENIAMFLSRVSNTVSSKIPGYLGEKIDVNGLLSIKIEGSLEEKLKALISPKVSRQIGRLVMEDDKKLKKLLVEVAKAVLTREILKNELPIEFPGGKIEGLKIQPRYEEDHINFTARYGSWIVVKRMIIDEKTPLLDIARLLASINETAVNKIKDFADVDDKKIVEYFGGFKKVKKEEEIKEIVQLFREFKGNEFEVRYAAREMLSKLGLKVDVPSKNLEKYLEKAG +>5hqh.A +SNATTSSSDSEVIENVPVKVYYDKTNLYISGIPETVTVTLSGPRSIVQSAKAQQDFTVYADLKNASIGTQEVKLQVKDVSDRLKVKVNPATVNVNVQEKVTKKFSVDVE +>3ii2.A +GSEMSVVEYEVVSKNLTSKMSHELLFSVKKRWFVKPFRHDRQLGKLHYKLLPGNYIKFGLYVLKNQDYARFEIAWVHVDKDGKIEERTVYSIETYWHIFIDIENDLNCPYVLAKFIEMRPEFHKTAWVEESNYSIAEDDIQMVESIKRYLERKIASD +>5h7w.B +GSFELTILHTNDVHARLEQTSRDSGKCTGEDCYGGVARRATKIRQIRASHRNVLLLDAGDQYQGTIWFNYYKGREVVHFMNSLRYDAMALGNHEFDNGLNGLLDPLLKNVKFPILSANIRPKGPIASNISGYILPYKIINVGSEKVGIIGYTTKETPVLSNPGPYLEFRDEVEELQKHADKLTTLGVNKIIALGHSGFMEDCRIAQKVKGVDVVVGGHTNTFLYTGSPPSNEVAAGNYPFMQLSDDGRQVPVVQAYAFGKYLGYLNVTFDDKGKVIKASGNPILLNKSIQEDPAVKAEISRMKVQLQNYSSQEIGRTIVYLNGTTHACRFHECNLGNLICDAVVYNNLRHPDDNEWNHVSMCIVNGGGIRSPIDEQANNGIITLEELTAVLPFGGTFDLLQIKGSTLRQAFEHSVHRHGQGTGELLQVSGIKVVYDLSQKPGKRVVSLNVLCTECRVPTYVPLEMEKTYKVLLPSFLAAGGDGYYMLKGDSSNHSSGDLDISIVGDYIKRMGKVFPAMEGRMVFSAGSL +>3ip4.A +MSIRYESVENLLTLIKDKKIKPSDVVKDIYDAIEETDPTIKSFLALDKENAIKKAQELDELQAKDQMDGKLFGIPMGIKDNIITNGLETTCASKMLEGFVPIYESTVMEKLHKENAVLIGKLNMDEFAMGGSTETSYFKKTVNPFDHKAVPGGSSGGSAAAVAAGLVPLSLGSDTGGSIRQPAAYCGVVGMKPTYGRVSRFGLVAFASSLDQIGPLTRNVKDNAIVLEAISGADVNDSTSAPVDDVDFTSEIGKDIKGLKVALPKEYLGEGVADDVKEAVQNAVETLKSLGAVVEEVSLPNTKFGIPSYYVIASSEASSNLSRFDGIRYGYHSKEAHSLEELYKMSRSEGFGKEVKRRIFLGTFALSSGYYDAYYKKSQKVRTLIKNDFDKVFENYDVVVGPTAPTTAFNLGEEIDDPLTMYANDLLTTPVNLAGLPGISVPCGQSNGRPIGLQFIGKPFDEKTLYRVAYQYETQYNLHDVYEKL +>3zzo.A +ECCTSRELVEFKMDRGDCEAVRAIENYPNGCEVTICADGVAQLGAYCGQGPCNIFGCNCDGGCLSGDWSQEFVRRNQQYGIQIIKVTRLPFWRPL +>3ghd.A +KAIVVQPKDTVDRVAKILSRNKAGSAVVMEGDEILGVVTERDILDKVVAKGKNPKEVKVEEIMTKNPVKI +>6cb7.A +HMDKLRVLYDEFVTISKDNLERETGLSASDVDMDFDLNIFMTLVPVLAAAVCAITPTIEDDKIVTMMKYCSYQSFSFWFLKSGAVVKSVYNKLDYVKKEKFVATFRDMLLNVQTLISLNSMY +>3aa6.B +MSDQQLDCALDLMRRLPPQQIEKNLSDLIDLVPSLCEDLLSSVDQPLKIARDKVVGKDYLLCDYNRDGDSYRSPWSNKYDPPLEDGAMPSARLRKLEVEANNAFDQYRDLYFEGGVSSVYLWDLDHGFAGVILIKKAGDGSKKIKGCWDSIHVVEVQEKSSGRTAHYKLTSTVMLWLQTNKTGSGTMNLGGSLTRQMEKDETVSDSSPHIANIGRLVEDMENKIRSTLNEIYFGKTKDIVNGLR +>2b0a.A +EILDLTQTLINFPRPGDPELRIIEKKIDGFIVSEIIMGSHLCTHIDYPKHVGLENRIPFKDGIIKGKGYCISLDDFPGNKLPACDILLIYTGFSKYWGRDEYFEKIPEIPFLDDIIKSNIKCVGIDACTIGGFEEHKRLLSNNILIIENLNENLKNLVGKSFYFLGLPLKIFDIDASPIRCIAILE +>5yrv.I +MARVSDYPLANKHPEWVKTATNKTLDDFTLENVLSNKVTAQDMRITPETLRLQASIAKDAGRDRLAMNFERAAELTAVPDDRILEIYNALRPYRSTKEELLAIADDLESRYQAKICAAFVREAATLYVERKKLKGDD +>2j6a.A +MKFLTTNFLKCSVKACDTSNDNFPLQYDGSKCQLVQDESIEFNPEFLLNIVDRVDWPAVLTVAAELGNNALPPTKPSFPSSIQELTDDDMAILNDLHTLLLQTSIAEGEMKCRNCGHIYYIKNGIPNLLLPPHLVHHHHHH +>2e7z.A +KKHVVCQSCDINCVVEAEVKADGKIQTKSISEPHPTTPPNSICMKSVNADTIRTHKDRVLYPLKNVGSKRGEQRWERISWDQALDEIAEKLKKIIAKYGPESLGVSQTEINQQSEYGTLRRFMNLLGSPNWTSAMYMCIGNTAGVHRVTHGSYSFASFADSNCLLFIGKNLSNHNWVSQFNDLKAALKRGCKLIVLDPRRTKVAEMADIWLPLRYGTDAALFLGMINVIINEQLYDKEFVENWCVGFEELKERVQEYPLDKVAEITGCDAGEIRKAAVMFATESPASIPWAVSTDMQKNSCSAIRAQCILRAIVGSFVNGAEILGAPHSDLVPISKIQMHEALPEEKKKLQLGTETYPFLTYTGMSALEEPSERVYGVKYFHNMGAFMANPTALFTAMATEKPYPVKAFFALASNALMGYANQQNALKGLMNQDLVVCYDQFMTPTAQLADYVLPGDHWLERPVVQPNWEGIPFGNTSQQVVEPAGEAKDEYYFIRELAVRMGLEEHFPWKDRLELINYRISPTGMEWEEYQKQYTYMSKLPDYFGPEGVGVATPSGKVELYSSVFEKLGYDPLPYYHEPLQTEISDPELAKEYPLILFAGLREDSNFQSCYHQPGILRDAEPDPVALLHPKTAQSLGLPSGEWIWVETTHGRLKLLLKHDGAQPEGTIRIPHGRWCPEQEGGPETGFSGAMLHNDAMVLSDDDWNLDPEQGLPNLRGGILAKAYKC +>3f0p.A +MKLAPYILELLTSVNRTNGTADLLVPLLRELAKGRPVSRTTLAGILDWPAERVAAVLEQATSTEYDKDGNIIGYGLTLRETSYVFEIDDRRLYAWCALDTLIFPALIGRTARVSSHCAATGAPVSLTVSPSEIQAVEPAGMAVSLVLPQEAADVRQSFCCHVHFFASVPTAEDWASKHQGLEGLAIVSVHEAFGLGQEFNRHLLQTMSSRTP +>5osw.A +DTHKSEIAHRFNDLGEENFQGLVLIAFSQYLQQCPFDEHVKLVKELTEFAKTCVADESHAGCDKSLHTLFGDELCKVATLRETYGDMADCCEKQEPERNECFLKHKDDSPDLPKLKPEPDTLCAEFKADEKKFWGKYLYEVARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKADFTDVTKIVTDLTKVHKECCHGDLLECADDRADLAKYICDHQDTLSSKLKECCDKPVLEKSHCIAEIDKDAVPENLPPLTADFAEDKEVCKNYQEAKDVFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEDCCAKEDPHACYATVFDKLKHLVDEPQNLIKKNCELFEKHGEYGFQNALIVRYTRKAPQVSTPTLVEISRSLGKVGTKCCAKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSDLTLDETYVPKPFDGESFTFHADICTLPDTEKQIKKQTALVELLKHKPKATDEQLKTVMENFVAFVDKCCAADDKEGCFLLEGPKLVASTQAALA +>3o3x.A +SGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILSGGSGGWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLGGSGGSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILSGGSGGWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLGGSGGSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARIL +>4jo7.A +SAPADYFRILVQQFEVQLQQYRQQIEELENHLATQANNSHITPQDLSMAMQKIYQTFVALAAQLQSIHENVKVLKEQYLGYRKMFLGDA +>4omf.B +MVLGTYKEIVSARSTDREIQKLAQDGGIVTGLLAYALDEGIIEGAVVAGPGEEFWKPQPMVAMSSDELKAAAGTKYTFSPNVMMLKKAVRQYGIEKLGTVAIPCQTMGIRKMQTYPFGVRFLADKIKLLVGIYCMENFPYTSLQTFICEKLGVSMELVEKMDIGKGKFWVYTQDDVLTLPLKETHGYEQAGCKICKDYVAELADVSTGSVGSPDGWSTVITRTDAGDSIFKQAVEAGLFETKPIEEVKPGLGLLEKLAAQKKEKAEKNIAARKEMGLPTPF +>5a5y.A +GAMEVEVKLRLLTAAAHLRLTTLLTPYHLKTLHQRNTFFDTPKNDLSLRRAVLRLRFLQNAAVSAASPSPPRCIVSLKAKPTLANGISRVEEDEEEIEYWIGKECVESPAKLSDIGSRVLKRVKEEYGFNDFLGFVCLGGFENVRNVYEWRGVKLEVDETKYDFGNCYEIECETEEPERVKTMIEEFLTEEKIEFSNSDMTKFAVFRSGKLP +>1jwq.A +MKVVVIDAGHGAKDSGAVGISRKNYEKTFNLAMALKVESILKQNPKLEVVLTRSDDTFLELKQRVKVAENLKANVFVSIHANSSGSSASNGTETYYQRSASKAFANVMHKYFAPATGLTDRGIRYGNFHVIRETTMPAVLLEVGYLSNAKEEATLFDEDFQNRVAQGIADGITEYLDVK +>2obl.A +GSHKIRVGDALLGRLIDGIGRPMESNIVAPYLPFERSLYAEPPDPLLRQVIDQPFILGVRAIDGLLTCGIGQRIGIFAGSGVGKSTLLGMICNGASADIIVLALIGERGREVNEFLALLPQSTLSKCVLVVTTSDRPALERMKAAFTATTIAEYFRDQGKNVLLMMDSVTRYARAARDVGLASGEPDVRGGFPPSVFSSLPKLLERAGPAPKGSITAIYTVLLESDNVNDPIGDEVRSILDGHIVLTRELAEENHFPAIDIGLSASRVMHNVVTSEHLRAAAECKKLIATYKNPELLIRIGEYTMGQDPEADKAIKNRKLIQNFIQQSTKDISSYEKTIESLFKVVA +>3a3d.B +MINVSDLTQKLPEGSNAGVIAKNINQNQIIADYNGSTFMLPASTQKVFTAVAAKLALGDQFQFETALLSNGKIQNGNLDGNLIVSFTGDPDLTRGQLYSLLAELKKQGIKKINGDLVLDTSVFSSHDRGLGWIWNDLTMCFNSPPAAANIDNNCFYAELDANKNPGEIVKINVPAQFPIQVFGQVYVADSNEAPYCQLDVVVHDNNRYQVKGCLARQYKPFGLSFAVQNTDAYAAAIIQRQLRKLGIEFNGKVLLPQKPQQGQLLAKHLSKPLPDLLKKMMKKSDNQIADSLFRAVAFNYYKRPASFQLGTLAVKSILQKQGIRFGNSILADGSGLSRHNLVAPKTMLSVLEYIAKNEDKLHLMETFPIAGVDGTISGRGGLISPPLVKNVIAKTGSLKGVYNLAGFMTNARGEKVAFVQFINGYSTGDLESKTKRAPLVQFERNLYNELYKY +>1kpt.A +LGINCRGSSQCGLSGGNLMVRIRDQACGNQGQTWCPGERRAKVCGTGNSISAYVQSTNNCISGTEACRHLTNLVNHGCRVCGSDPLYAGNDVSRGQLTVNYVNSC +>1md6.A +VLSGALCFRMKDSALKVLYLHNNQLLAGGLHAEKVIKGEEISVVPNRALDASLSPVILGVQGGSQCLSCGTEKGPILKLEPVNIMELYLGAKESKSFTFYRRDMGLTSSFESAAYPGWFLCTSPEADQPVRLTQIPEDPAWDAPITDFYFQQCD +>4e5r.A +PPTEPLPDGWIMTFHNSGLPVYLHRETRVVTWSRPYFLGTGSIRKHDPPISSIPCL +>3owt.B +SAIRSDFSNEDIYDNIDPDTISFPPKIATTDLFLPLFFHFGSTRQFMDKLHEVISGDYEPSQAEKLVQDLCDETGIRKNFSTSILTCLSGDLMVFPRYFLNMFKDNVNPPPNVPGIWTHDDDESLKSNDQEQIRKLVKKHGTGRMEMRKRFFEKDLL +>2znr.A +GPGHMEGLRCVVLPEDLCHKFLQLAESNTVRGIETCGILCGKLTHNEFTITHVIVPKQSAGPDYCDMENVEELFNVQDQHDLLTLGWIHTHPTQTAFLSSVDLHTHCSYQLMLPEAIAIVCSPKHKDTGIFRLTNAGMLEVSACKKKGFHPHTKEPRLFSICKHVLVKDIKIIVLDLR +>4cjn.A +DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETESRNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKMKQGETGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE +>4ndt.A +ACWKANSCPGSAFESKDRLRSFALLYCRYNYKPPYGQGAFGYASAVSTHGWETEAQCINTFEQIITSCHGQSNGGTLELNSGRLSLAFGNCEEL +>4ghn.A +GNYFYNDKQIDVENFYIAELPLTPSQFEEDFKEIHQIVMENYSLYQAKHLNMDSLYQACDARVRQAQTTTDYGLIVQEYISALQCAHAITCYKRYTANQRVAFIEDFLFVDKPNDYLTEYGFQDKDRIIAINGLPYKQWIEQNEKYTEASTVPHRRLRTAYDAFRSYADTLRNYTLLRGGDTLTVTLPLKQRDYFPDNEEQTVESRILQDSIGYLTIKTMMNPVMEDFKAVYPKVKDLPYLIIDVRRNGGGNSMNGVNICKYFIREAQPHCVSKSYIMQPEADAYKGKIYLLTDTYTLSAAESFTLDMKESGNVTLIGEATGGDTGNGPRPFCTKQRTYFRIPTRQPDVSSKGFPMEGIGIPPHHQVSQTVADFMKDEDTVLNYAVGLITEKQ +>2w6k.A +GSHMPLPIPSLLIAGIGCRRGCSAEHLRALLERTLGEHGRSLAELDALASIDGKRDEPGLRQLATLLERPVHFLAPAVLHDYEPRLLSPSAVALRETGCSSVAEAAALALAERLGGGRADLLGAKRSDDRASIALARLLTERELP +>1rk8.B +MSTEDFYLRYYVGHKGKFGHEFLEFEFRPDGKLRYANNSNYKNDTMIRKEAFVHQSVMEELKRIIIDSEIMQEDDLPWPPPDRVGRQELEIVIGDEHISFTTSKTGSLVDVNRSKDPEGLRCFYYLVQDLKCLVFSLIGLHFKIKPI +>6ovk.R +GAMGQDWRADYHSRIGEQRRLTLADGTQVQLNTDSALNVAFDQQARRLRLVRGEMLITRPALADSRPLWVDTEHGRLESTLAQFNVRLHGQHTQATVYQGSVALQPALHAYPPILLGAGEQASFNQQGLLARQAVAAVAPAWSQGMLVAQGQPLAAFIEDLARYRRGHLACDPALAGLRVSGTFPLENTDKIIAAVAETLQLEVQHFTRYWVTLKPRMA +>5h6x.A 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+MNEMFSQGGKGSTGILTNKQAVARHFGVKQSEVVYFSVGVDLGGYKVIYDKETQRAYSLPVGIASGTTAVSLSTAAVLVHSAGSVDLGSLAVSREEYVTLPGSFDSGSTLNVKNELLTYTDGKYRWDGILPKTVAPGSTPASTGGVGLGAWISVGDASLRTQLANGDGSLIGIHPQGTLNNVLTVRTPEQYNAVGDGIADDTSKLKEMLSDINNVPETLPDAAAVNSYMEQVAVKIDLTKLYRFTETLYIPPGVSIEIPTSNFFTRECKQGLFYDPVDKNTAAISLMVYRKQPDGSYKLNKDVDYYPTGLDIDNGDAITCARKIDINNLNLITAPGVKVGVKWIGGAGCTTKGLSIGENTGSDITTARLPRVGLLQSASWGSIHENLRILYKTQGAVFIDSNGGAAVNNAYISRLGNTNGELEQAVYKPAGFTEVGDVAVTQFAGSEVKFNSPIIEQASFDFVHAGRDTDSYGLFMVDKPHIESSGGKKKHSFYLINTSSNVTLSGVGLSGQDPDLDSMYFLKNCPETARNVVRGQMPISGVKLVRGTGNYPTLVLDCTNMGSQFQFGEVGDIFYIKDVVGVKADTLYIDPVNGNNYNWGTNGTKPIRELTNIAKICQLFRCKSVYLNAGESVITSNTELPMVVFEGPGSLKANSGSSFLIKAGGTLSLIGLSGISTDGGHMFRVSTVEKVNIHTNCSVNAGAAYVVLSEVQGNIEYRQLFYSVNCSKYIGATAGQTIAGIMVKTATRPTGIDAAPVDGNVSLTYKIIESHHHHHH +>1hp1.A +YEQDKTYKITVLHTNDHHGHFWRNEYGEYGLAAQKTLVDGIRKEVAAEGGSVLLLSGGDINTGVPESDLQDAEPDFRGMNLVGYDAMAIGNHEFDNPLTVLRQQEKWAKFPLLSANIYQKSTGERLFKPWALFKRQDLKIAVIGLTTDDTAKIGNPEYFTDIEFRKPADEAKLVIQELQQTEKPDIIIAATHMGHYDNGEHGSNAPGDVEMARALPAGSLAMIVGGHSQDPVCMAAENKKQVDYVPGTPCKPDQQNGIWIVQAHEWGKYVGRADFEFRNGEMKMVNYQLIPVNLKKKRVLYTPEIAENQQMISLLSPFQNKGKAQLEVKIGETNGRLEGDRDKVRFVQTNMGRLILAAQMDRTGADFAVMSGGGIRDSIEAGDISYKNVLKVQPFGNVVVYADMTGKEVIDYLTAVAQMKPDSGAYPQFANVSFVAKDGKLNDLKIKGEPVDPAKTYRMATLNFNATGGDGYPRLDNKPGYVNTGFIDAEVLKAYIQKSSPLDVSVYEPKGEVSWQ +>2gc4.L +APQFFNIIDGSPLNFDDAMEEGRDTEAVKHFLETGENVYNEDPEILPEAEELYAGMCSGCHGHYAEGKIGPGLNDAYWTYPGNETDVGLFSTLYGGATGQMGPMWGSLTLDEMLRTMAWVRHLYTGDPKDASWLTDEQKAGFTPFQP +>6jwh.A +GPLGSIKELAVDEELAAADGLIPRQKSKLCKHGDRGMCEYCSPLPPWDKEYHEKNKIKHISFHSYLKKLNENANKKENGSSYISPLSEPDFRINKRCHNGHEPWPRGICSKCQPSAITLQQQEFRMVDHVEFQKSEIINEFIQAWRYTGMQRFGYMYGSYSKYDNTPLGIKAVVEAIYEPPQHDEQDGLTMDVEQVKNEMLQIDRQAQEMGLSRIGLIFTDLSDAGAGDGSVFCKRHKDSFFLSSLEVIMAARHQTRHPNVSKYSEQGFFSSKFVTCVISGNLEGEIDISSYQVSTEAEALVTADMISGSTFPSMAYINDTTDERYVPEIFYMKSNEYGITVKENAKPAFPVDYLLVTLTHGFPNTDTETNSKFVSSTGFPWSNRQAMGQSQDYQELKKYLFNVASSGDFNLLHEKISNFHLLLYINSLQILSPDEWKLLIESAVKNEWEESLLKLVSSAGWQTLVMILQESG +>2wsi.A +MQLSKAAEMCYEITNSYLHIDQKSQIIASTQEAIRLTRKYLLSEIFVRWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYFFIKAQNSQFDFEFQSFPMQRLPTVFIDQEETFPTLENFVLETSERYCLSLYESQRQSGASVNMADAFRDFIKIYPETEAIVIGIRHTDPFGEALKPIQRTDSNWPDFMRLQPLLHWDLTNIWSFLLYSNEPICGLYGKGFTSIGGINNSLPNPHLRKDSNNPALHFEWEIIHAFGKDAEGERSSAINTSPISVVDKERFSKYHDNYYPGWYLVDDTLERAGRIKN +>1z21.A +LKSESAEKTREVLWQQYYASNPPDHAVLEVLATPVREALLARFGQHQGSVVPAIDLPELRSVLQQFDSFGKRWEAILLQVLEGIKPNESQVGLPYLSELINKELMILLPSNS +>2waw.A +MLRSRVTGVVLAAGYSRRLGTPKQLLPLGDTTLLGATLAMARRCPFDQLIVTLGGAADEVLEKVELDGLDIVLVDDAGLGCSSSLKSALTWVDPTAEGIVLMLGDQPGITASAVASLIAGGRGATIAVCEYANGIGHPFWVSRGVFGDLAELHGDKGVWRLIESGRHGVRRIRVDADVPLDVDTWDDYERLLASVVRLE +>2bk9.A +MNSDEVQLIKKTWEIPVATPTDSGAAILTQFFNRFPSNLEKFPFRDVPLEELSGNARFRAHAGRIIRVFDESIQVLGQDGDLEKLDEIWTKIAVSHIPRTVSKESYNQLKGVILDVLTAASSLDESQAATWAKLVDHVYAIIFKAIDDDGNAK +>4xb6.F +MTLETAFMLPVQDAQHSFRRLLKAMSEPGVIVALHQLKRGWQPLNIATTSVLLTLADNDTPVWLSTPLNNDIVNQSLRFHTNAPLVSQPEQATFAVTDEAISSEQLNALSTGTAVAPEAGATLILQVASLSGGRMLRLTGAGIAEERMIAPRLPECILHELTERPHPFPLGIDLILTCGERLLAIPRTTHVEVC +>3rmq.A +SNAMQRYLWQQADGKRHVYDTARHRVQAGRPFTALCGETVTPQTERGDLTAGLWFDGECPVCTIALAKALGWPMREISDLAHRFDWSPALITRLAEVLHCSFGEVVELTGARMVDA +>1xkn.A +MSEPTYFMPPEWAPHASTWLSWPHKLESWPGKFEPVPAVFAELAYQLSRSETVNINVLDDAMEAQARELLKERDPEGKYAERIVFHRIPTNDAWCRDHGPNYVIRTQDGRRDKVIMNWEYNAWGGKYEPYDDDNAVPERVAKAQGLPMVSTGMVLEGGAIDVNGAGLLLTTTACLLNPNRNPSLGKAEIEAQLRRYLGIEKVLWLGDGIAGDDTDGHVDDMARFVNENTVVIAVEEDPEDENYKPLRENYELLKTMTGLDGKPLNIVKLPMPEPVYYDGERLPASYANFYIANTVVLVPTYRCPRDQQAIDILQQCFPKREVVGIDCSDLIWGLGAIHCVTHEEPAMLEHHHHHH +>1b2s.E +MKKAVINGEQIRSISDLHQTLKKELALPEYYGENLDALWDCLAGWVEYPLVLEWRQFEQSKQLTENGAESVLQVFREAKAEGCDITIILS +>3wa1.A +TNYPLNTTPTSLNYNLPEISKKFYNLKNKYSRNGYGLSKTEFPSSIENCPSNEYSIMYDNKDPRFLIRFLLDDGRYIIADRDDGEVFDEAPTYLDNNNHPIISRHYTGEERQKFEQVGSGDYITGEQFFQFYTQNKTRVLSNCRALDSRTILLSTAKIFPIYPPASETQLTAFVNSSFYAAAIPQLPQTSLLENIPEPTSLDDSGVLPKDAVRAVKGSALLPCIIVHDPNLNNSDKMKFNTYYLLEYKEYWHQLWSQIIPAHQTVKIQERTGISEVVQNSMIEDLNMYIGADFGMYFYLRSSGFKEQITRGLNRPLSQTTTQLGERVEEMEYYNSNDLDVRYVKYALAREFTLKRVNGEIVKNWVAVDYRMAGIQSYPNAPITNPLTLT +>3cyi.A +GPHMSIHSGRIAAVHNVPLSVLIRPLPSVLDPAKVQSLVDTIREDPDSVPPIDVLWIKGAQGGDYFYSFGGSHRYAAYQQLQRETIPAKLVQSTLSDLRVYLGASTPDLQ +>1nij.A +MNPIAVTLLTGFLGAGKTTLLRHILNEQHGYKIAVIENEFGEVSVDDQLIGDRATQIKTLTNGCICCSRSNELEDALLDLLDNLDKGNIQFDRLVIECTGMADPGPIIQTFFSHEVLCQRYLLDGVIALVDAVHADEQMNQFTIAQSQVGYADRILLTKTDVAGEAEKLHERLARINARAPVYTVTHGDIDLGLLFNTNGFMLEENVVSTKPRFHFIADKQNDISSIVVELDYPVDISEVSRVMENLLLESADKLLRYKGMLWIDGEPNRLLFQGVQRLYSADWDRPWGDEKPHSTMVFIGIQLPEEEIRAAFAGLRK +>2ahn.A +ATISFKNNCPYMVWPGTLTSDQKPQLSTTGFELASQASFQLDTPVPWNGRFWARTGCSTDASGKFVCATADCASGQVMCNGNGAIPPATLAEFNIPAGGGQDFYDVSLVDGFNLPMSVTPQGGTGDCKTASCPANVNAVCPSELQKKGSDGSVVACLSACVKFGTPQYCCTPPQNTPETCPPTNYSEIFHNACPDAYSYAYDDKRGTFTCNGGPNYAITFCP +>3ot9.B +GSHMASNKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNELKK +>5x1u.B +ALTPMEFARKYNLLRKDDALLDNPVPGEEMTAGIRRGDAKRVFTMQLGPYWDGFERCSPQAYALSAVFMARMNRDRDAANNILKVLDKTFVDGKPDFSVARPVMKKYQNSELVQEVVAKHAYVLTVIASLLEAAREDGVVPSSEFLWLKPVDRRLWYMLNCVGRQTPYSEVAGPFAHWKAEKEMGRRSLVPMIDEAIRALEIAVKEVR +>2ed6.A +TVTKTIETHTDNIETNMDENLRIPVTAEVGSGYFKMTDVSFDSDTLGKIKIRNGKSDAQMKEEDADLVITPVEGRALEVTVGQNLTFEGTFKVWNNTSRKINITGMQMVPKINPSKAFVGSSNTSSFTPVSIDEDEVGTFVCGTTFGAPIAATAGGNLFDMYVHVTYSGT +>2gg6.A +MSHGASSRPATARKSSGLSGTVRIPGDKSISHRSFMFGGLASGETRITGLLEGEDVINTGKAMQAMGARIRKEGDTWIIDGVGNGGLLAPEAPLDFGNAATGCRLTMGLVGVYDFDSTFIGDASLTKRPMGRVLNPLREMGVQVKSEDGDRLPVTLRGPKTPTPITYRVPMASAQVKSAVLLAGLNTPGITTVIEPIMTRDHTEKMLQGFGANLTVETDADGVRTIRLEGRGKLTGQVIDVPGDPSSTAFPLVAALLVPGSDVTILNVLMNPTRTGLILTLQEMGADIEVINPRLAGGEDVADLRVRSSTLKGVTVPEDRAPSMIDEYPILAVAAAFAEGATVMNGLEELRVKESDRLSAVANGLKLNGVDCDEGETSLVVRGRPDGKGLGNASGAAVATHLDHRIAMSFLVMGLVSENPVTVDDATMIATSFPEFMDLMAGLGAKIELSDTKAA +>1dlj.A +MKIAVAGSGYVGLSLGVLLSLQNEVTIVDILPSKVDKINNGLSPIQDEYIEYYLKSKQLSIKATLDSKAAYKEAELVIIATPTNYNSRINYFDTQHVETVIKEVLSVNSHATLIIKSTIPIGFITEMRQKFQTDRIIFSPEFLRESKALYDNLYPSRIIVSCEENDSPKVKADAEKFALLLKSAAKKNNVPVLIMGASEAEAVKLFANTYLALRVAYFNELDTYAESRKLNSHMIIQGISYDDRIGMHYNNPSFGYGGYSLPKDTKQLLANYNNIPQTLIEAIVSSNNVRKSYIAKQIINVLKEQESPVKVVGVYRLIMKSNSDNFRESAIKDVIDILKSKDIKIIIYEPMLNKLESEDQSVLVNDLENFKKQANIIVTNRYDNELQDVKNKVYSRDIFGRD +>2ad6.A +DADLDKQVNTAGAWPIATGGYYSQHNSPLAQINKSNVKNVKAAWSFSTGVLNGHEGAPLVIGDMMYVHSAFPNNTYALNLNDPGKIVWQHKPKQDASTKAVMCCDVVDRGLAYGAGQIVKKQANGHLLALDAKTGKINWEVEVCDPKVGSTLTQAPFVAKDTVLMGCSGAELGVRGAVNAFDLKTGELKWRAFATGSDDSVRLAKDFNSANPHYGQFGLGTKTWEGDAWKIGGGTNWGWYAYDPKLNLFYYGSGNPAPWNETMRPGDNKWTMTIWGRDLDTGMAKWGYQKTPHDEWDFAGVNQMVLTDQPVNGKMTPLLSHIDRNGILYTLNRENGNLIVAEKVDPAVNVFKKVDLKTGTPVRDPEFATRMDHKGTNICPSAMGFHNQGVDSYDPESRTLYAGLNHICMDWEPFMLPYRAGQFFVGATLAMYPGPNGPTKKEMGQIRAFDLTTGKAKWTKWEKFAAWGGTLYTKGGLVWYATLDGYLKALDNKDGKELWNFKMPSGGIGSPMTYSFKGKQYIGSMYGVGGWPGVGLVFDLTDPSAGLGAVGAFRELQNHTQMGGGLMVFSL +>3mil.A +MDYEKFLLFGDSITEFAFNTRPIEDGKDQYALGAALVNEYTRKMDILQRGFKGYTSRWALKILPEILKHESNIVMATIFLGANDACSAGPQSVPLPEFIDNIRQMVSLMKSYHIRPIIIGPGLVDREKWEKEKSEEIALGYFRTNENFAIYSDALAKLANEEKVPFVALNKAFQQEGGDAWQQLLTDGLHFSGKGYKIFHDELLKVIETFYPQYHPKNMQYKLKDWRDVLDDGSNIMSLE +>3lbl.A +MQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVN +>2fip.A +PKTQRGIYHNLKESEYVASNTDVTFFFSSELYLNKFLDGYQEYRKKFNKKIERVAVTPWNMDMLADITFYSEVEKRGFHAWLKGDNATWREVHVYALRIMTKPNTLDWSRIQKPR +>2jek.A +MKSASDPFDLKRFVYAQAPVYRSVVEELRAGRKRGHWMWFVFPQLRGLGSSPLAVRYGISSLEEAQAYLQHDLLGPRLHECTGLVNQVQGRSIEEIFGPPDDLKLCSSMTLFARATDANQDFVALLAKYYGGGEDRRTVALLAVT +>6l4p.B +GDLAAAKPALDAALEALNSIKDGDIKNLKALKKPPQIITRIFDCVLVLRMLPVTKAEYTDEKGRMVQVGNYPEAQKMMNQMSFLQDLKDFAKEQINDETVELLEPYFMSEDFTFENAQKASGNVAGLCNWAESMAKYHNVAKVVE +>2vfk.A +YQPNYFLSIPITNKKITAGIKVLQNSILRQDNRLTKAMVGDGSFHITLLVMQLLNEDEVNIGTDALLELKPFVEEILEGKHLTLPFHGIGTFQGQVGFVKLADGDHVSALLEIAETAKRTFQEKGILAGESRTFKPHLTFMKLSKAPMLWKKGVRKIEPGLYEQFIDHRFGEEILYQIDLCSMLKKKQSNGYYHCESSIVIGEKD +>1g9g.A +ASSPANKVYQDRFESMYSKIKDPANGYFSEQGIPYHSIETLMVEAPDYGHVTTSEAMSYYMWLEAMHGRFSGDFTGFDKSWSVTEQYLIPTEKDQPNTSMSRYDANKPATYAPEFQDPSKYPSPLDTSQPVGRDPINSQLTSAYGTSMLYGMHWILDVDNWYGFGARADGTSKPSYINTFQRGEQESTWETIPQPCWDEHKFGGQYGFLDLFTKDTGTPAKQFKYTNAPDADARAVQATYWADQWAKEQGKSVSTSVGKATKMGDYLRYSFFDKYFRKIGQPSQAGTGYDAAHYLLSWYYAWGGGIDSTWSWIIGSSHNHFGYQNPFAAWVLSTDANFKPKSSNGASDWAKSLDRQLEFYQWLQSAEGAIAGGATNSWNGRYEAVPSGTSTFYGMGYVENPVYADPGSNTWFGMQVWSMQRVAELYYKTGDARAKKLLDKWAKWINGEIKFNADGTFQIPSTIDWEGQPDTWNPTQGYTGNANLHVKVVNYGTDLGCASSLANTLTYYAAKSGDETSRQNAQKLLDAMWNNYSDSKGISTVEQRGDYHRFLDQEVFVPAGWTGKMPNGDVIKSGVKFIDIRSKYKQDPEWQTMVAALQAGQVPTQRLHRFWAQSEFAVANGVYAILFPD +>3x0g.A +SHMFVNKDQIAKDVKQFYDQALQQAVVDDDANNAKAVVKTFHETVDCCGSSTLAALTTSVLKNNLCPSGSNIISNLLKKDCHQKIDDFFSGKL +>1ng6.A +MSLLERLNQDMKLYMKNREKDKLTVVRMVKASLQNEAIKLKKDSLTEDEELTVLSRELKQRKDSLQEFSNANRLDLVDKVQKELDILEVYLPEQLSEEELRTIVNETIAEVGASSKADMGKVMGAIMPKVKGKADGSLINKLVSSQLS +>1h2e.A +ATTLYLTRHGETKWNVERRMQGWQDSPLTEKGRQDAMRLGKRLEAVELAAIYTSTSGRALETAEIVRGGRLIPIYQDERLREIHLGDWEGKTHDEIRQMDPIAFDHFWQAPHLYAPQRGERFCDVQQRALEAVQSIVDRHEGETVLIVTHGVVLKTLMAAFKDTPLDHLWSPPYMYGTSVTIIEVDGGTFHVAVEGDVSHIEEVKEV +>5n6y.C +MSQSHLDDLFAYVEERCLWQFFSRTWDREENIEGVLNQVGRLLTGQEPLRGTPQERLFYADALAMANDVRERFPWASQVNKEEIEFLLDGLKSRLVDVTITRSTNRELNHHLY +>1tov.A +ENESDKLNEEAAKNIMVGNRCEVTVGAQMARRGEVAYVGATKFKEGVWVGVKYDEPVGKNDGSVAGVRYFDCDPKYGGFVRPVDVKVGDFPELSIDEI +>2cxi.B +MPKFDVSKSDLERLIGRSFSIEEWEDLVLYAKCELDDVWEENGKVYFKLDSKDTNRPDLWSAEGVARQIKWALGIEKGLPKYEVKKSNVTVYVDEKLKDIRPYGVYAIVEGLRLDEDSLSQMIQLQEKIALTFGRRRREVAIGIFDFDKIKPPIYYKAAEKTEKFAPLGYKEEMTLEEILEKHEKGREYGHLIKDKQFYPLLIDSEGNVLSMPPIINSEFTGRVTTDTKNVFIDVTGWKLEKVMLALNVMVTALAERGGKIRSVRVVYKDFEIETPDLTPKEFEVELDYIRKLSGLELNDGEIKELLEKMMYEVEISRGRAKLKYPAFRDDIMHARDILEDVLIAYGY +>2p2v.A +GSHMTRTRMENELIVSKNMQNIIIAGNGPSLKNINYKRLPREYDVFRCNQFYFEDKYYLGKKIKAVFFNPGVFLQQYHTAKQLILKNEYEIKNIFCSTFNLPFIESNDFLHQFYNFFPDAKLGYEVIENLKEFYAYIKYNEIYFNKRITSGVYMCAIAIALGYKTIYLCGIDFYEGDVIYPFEAMSTNIKTIFPGIKDFKPSNCHSKEYDIEALKLLKSIYKVNIYALCDDSILANHFPLSININNNFTLENKHNNSINDILLTDNTPGVSFYKNQLKADNKIMLNFY +>1q2h.A +GSHMPDWRQFCELHAQAAAVDFAHKFCRFLRDNPAYDTPDAGASFSRHFAANFLDVFGEEVRRVLVAGP +>4erv.A +SNANFDPKPINTMNFSLPEKLEYIVTKYAEHSHDKWACDKSQSGWKYGISLDENVKTHPLIRPFKTLTEKEKEIYRWPARESLKTMLAVGWTVERTKEGEALVQQRENEKLRSVSQANQGNSYSPAPLDLSNVVLSRELQGMVEVVAENYHNIWAKKKKLELESKGGGSHPLLVPYDTLTAAEKFKDREKAQDLFKFLQVNGIIVSR +>1ifg.A +PLEKIAPYPQAEKGMKRQVIQLTPQEDESTLKVELLIGQTLEVDCNLHRLGGKLENKTLEGWGYDYYVFDKVSSPVSTMMACPDGKKEKKFVTAYLGDAGMLRYNSKLPIVVYTPDNVDVKYRVWADGKAEEKIDNAVVR +>6jpt.A +MEDTPLVISKQKTEVVCGVPTQVVCTAFSSHILVVVTQFGKMGTLVSLEPSSVASDVSKPVLTTKVLLGQDEPLIHVFAKNLVAFVSQEAGNRAVLLAVAVKDKSMEGLKALREVIRVCQVW +>2xjq.A +GLVPRGSHMSGATEACLPAGQRKSGMNINFYQYSLKDSSTYSNAAYMAYGYASKTKLGSVGGQTDISIDYNIPCVSSSGTFPCPQEDSYGNWGCKGMGACSNSQGIAYWSTDLFGFYTTPTNVTLEMTGYFLPPQTGSYTFSFATVDDSAILSVGGSIAFECCAQEQPPITSTNFTINGIKPWDGSLPDNITGTVYMYAGYYYPLKVVYSNAVSWGTLPISVELPDGTTVSDNFEGYVYSFDDDLSQSNCTIPDPSIH +>2b9d.A +MKQPYAVVASCAYCEKLVRLTVLADHSAIRQLEEMLLRSLNIVCPLCTLQRQ +>1t61.E +SVDHGFLVTRHSQTTDDPQCPPGTKILYHGYSLLYVQGNERAHGQDLGTAGSCLRKFSTMPFLFCNINNVCNFASRNDYSYWLSTPEPMPMSMAPITGENIRPFISRCAVCEAPAMVMAVHSQTIQIPQCPTGWSSLWIGYSFVMHTSAGAEGSGQALASPGSCLEEFRSAPFIECHGRGTCNYYANAYSFWLATIERSEMFKKPTPSTLKAGELRTHVSRCQVCMRRT +>1uz3.A +GSMPVVWPTLLDLSRDECKRILRKLELEAYAGVISALRAQGDLTKEKKDLLGELSKVLSISTERHRAEVRRAVNDERLTTIAHNMSGPNSSSEWSIEGRRLV +>3bk5.A +SNAEKGLEIAQERKARDEGWGDSIATMEMILKNAQGESSTRLMRLKSLEVEGDGDKGLTIFDQPRDVTGTAFLNHSHTIGADDQWLYLPALKRVKRISSRNKSGPFMGSEFAYEDLSSFEIEKYRFNHLKDEKFNGQDVFVLEQIPTDKNSGYTKQVVWLDKAHYRPLKVEFYDRKGALLKTLTFANYKQYLDKYWRAHTMAMTNHQTGKSTELNTSDLRFQTGLEENDFNKNVLKR +>5j3t.B +MSFTNATFSQVLDDLSARFILNLPAEEQSSVERLCFQIEQAHWFYEDFIRAQNDQLPSLGLRVFSAKLFAHCPLLWKWSKVHEEAFDDFLRYKTRIPVRGAIMLDMSMQQCVLVKGWKASSGWGFPKGKIDKDESDVDCAIREVYEETGFDCSSRINPNEFIDMTIRGQNVRLYIIPGISLDTRFESRTRKEISKIEWHNLMDLPTFKKNKPQTMKNKFYMVIPFLAPLKKWIKKRNIANNT +>4ykd.A +MELSASATELLQDYMLTLRTKLSSQEIQQFAALLHEYRNGASIHEFCINLRQLYGDSRKFLLLGLRPFIPEKDSQHFENFLETIGVKDLEHHHHHH +>5zmo.A +GSREAPKTFHRRVGDVRPARRAMGPALHRPVLLLWAIGQAVARAPRLQPWSTTRDAVAPLMEKYGQVEDGVDGVRYPFWALVRDDLWCVEQAEELTLTSRGRRPTLESLNAVDPSAGLREDDYNLLRSQPEAAASAAAGLIARYFHLLPAGLLEDFGLHELLAGRWPDALRP +>5hee.B +MLFGIGLMPHGNPALSPEDKETEKLAGVLKDIGKAFSDADSYVLISPHNVRISDHLGVIMAQHLISWLGFEGVELPGEWETDRGLAEEVYNAWKGAEIPTVDLHFASRSGRYSRWPLTWGELIPLQFLEKKPLVLLTPARRLSRETLIKAGEVLGEVLEGSEKKIALIVSADHGHAHDENGPYGYRKESEEYDRLIMELINESRLEELPEIPDELIEKALPDSYWQMLIMLGAMHRVPVKLVESAYACPTYFGMAGALWVRE +>5ngd.B +GPAKLEGASVPVMSTSYDVVVDREFDELLQGKDGLLVYHKMLSDGTVKNALNYIFGRIRSAKWYVEPASTDPEDIAIAAFIHAQLGIDDASVGKYPFGRLFAIYENAYIYGMAAGEIVLTLGADGKLILDKIVPIHPFNIDEVLYDEEGGPKALKLSGEVKGGSQFVSGLEIPIWKTVVFLHNDDGSFTGQSALRAAVPHWLAKRALILLINHGLERFMIGVPTLTIPKSVRQGTKQWEAAKEIVKNFVQKPRHGIILPDDWKFDTVDLKSAMPDAIPYLTYHDAGIARALGIDFNTVQLNMGGQAINIGEFVSLTQQTIISLQREFASAVNLYLIPKLVLPNWPSATRFPRLTFEMEERNDFSAAANLMGMLINAVKDSEDIPTELKALIDALPSKMRRALGVVDEVREAVRQPAD +>1qwz.A +GHHHHHHHHHHSSGHISGDAMEDKQERANYEKLQQKFQMLMSKHQAHVRPQFESLEKINKDIVGWIKLSGTSLNYPVLQGKTNHDYLNLDFEREHRRKGSIFMDFRNELKNLNHNTILYGHHVGDNTMFDVLEDYLKQSFYEKHKIIEFDNKYGKYQLQVFSAYKTTTKDNYIRTDFENDQDYQQFLDETKRKSVINSDVNVTVKDRIMTLSTCEDAYSETTKRIVVVAKIIKVS +>2pst.X +GHMTSVFDRDDIQFQVVVNHEEQYSIWPEYKEIPQGWRAAGKSGLKKDCLAYIEEVWTDMRPLSLRQHMDKAAG +>1njh.A +SNAMKAIIKEDVQASLERYADRPVYIHLETTTGSYSAHLNEKNMTVVAYIRNAKVTYHQAKIKGNGPYRVGLKTEEGWIYAEGLTEYTVDEENRLLMAGHLPGGKLAISLQISEKPFTV +>4zds.B +STPHTLQELQDTTLGSLLSALMQHCDPPQRRFPLEKGVPPPWWPNGKEDWWPQLGLPKDQGPAPYKKPHDLKKAWKVGVLTAVIKHMFPDIAKIRKLVRQSKCLQDKMTAKESATWLAIINQEESLARELYPES +>6bk4.A +ARKDNLAKTIAETAKIREVLIIQNVLNCFNDDQVRSDFLNGENGAKKLENTELELLEKFFIETQTRRPETADDVSFIATAQKSAELFYSTINARPKSFGEVSFEKLRSLFQQIQDSGYLDKYYL +>1qb7.A +PFKEVSPNSFLLDDSHALSQLLKKSYRWYSPVFSPRNVPRFADVSSITESPETLKAIRDFLVQRYRAMSPAPTHILGFDARGFLFGPMIAVELEIPFVLMRKADKNAGLLIRSEPYEKEYKEAAPEVMTIRYGSIGKGSRVVLIDDVLATGGTALSGLQLVEASDAVVVEMVSILSIPFLKAAEKIHSTANSRYKDIKFISLLSDDALTEENCGDSKNYTGPRVLSCGDVLAEHPH +>3ib5.A +GESSKSGYQTTGENNSSDYQGIIEDGEYKTSKSRGVGISQNSDNLLNLKSFEAGLTTISKDHFSTKSYIFQEGQYLNKATIQDWLGRKSSSNPEGLNPSDNGKKEANKRNPIYVQQIEEQDYMKQNNGKLELAGMTIGIGMNQKDYYQKEQYGATYSTTISKEKRIEEGKIAAKKVLARVRQKVGNNVPIVIAMFAQAPNDSLVGGYFYSYTVSKSGTDIGSWTETNIKSYVLPATEDNKLPNDNDSTSFDNFQKEVKNFFPNISNVTGQGQYKDKTLQGLHITITTQFYSETEITSFTQYVAQAAKSYLPSGIPVDIKINGSDGETQSFVSTTGGNGGYYTHVFGSY +>1ypy.A +GAAASIQTTVNTLSERISSKLEQEANASAQTKCDIEIGNFYIRQNHGCNLTVKNMCSADADAQLDAVLSAATETYSGLTPEQKAYVPAMFTAALNIQTSVNTVVRDFENYVKQTCNSSAVVDNKLKIQNVIIDECYGAPGSPTNLEFINTGSSKGNCAIKALMQLTTKATTQIAPKQVAGTGVQ +>5g68.A +MEEKEILWNEAKAFIAACYQELGKAAEVKDRLADIKSEIDLTGSYVHTKEELEHGAKMAWRNSNRCIGRLFWNSLNVIDRRDVRTKEEVRDALFHHIETATNNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASCSLTAACEELGWRGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHPDIEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYMGTEIGARNLADEKRYDKLKKVASVIGIAADYNTDLWKDQALVELNKAVLHSYKKQGVSIVDHHTAASQFKRFEEQAEEAGRKLTGDWTWLIPPISPAATHIFHRSYDNSIVKPNYFYQDKPYE +>2pqx.A +LALQAKQYGDFDRYVLALSWQTGFCQSQHDRNRNERDECRLQTETTNKADFLTVHGLWPGLPKSVAARGVDERRWMRFGCATRPIPNLPEARASRMCSSPETGLSLETAAKLSEVMPGAGGRSCLERYEYAKHGACFGFDPDAYFGTMVRLNQEIKESEAGKFLADNYGKTVSRRDFDAAFAKSWGKENVKAVKLTCQGNPAYLTEIQISIKADAINAPLSANSFLPQPHPGNCGKTFVIDKAGY +>3luu.A +GMSDPRTQPLEIRPLMISRVMEVDWADGHTSRLTFEHLRVECPCAECKGHTPDQAQIVTGKEHVSVVEVVPVGHYAVQLHFSDGHNTGIFTWEYLRRLDAE +>3p5p.A 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+GHMSSDIDELRREIDIVDVISEYLNLEKVGSNYRTNCPFHPDDTPSFYVSPSKQIFKCFGCGVGGDAIKFVSLYEDISYFEAALELAKRYGKKLDLEKISKDEKVYVALDRVCDFYRESLLKNREASEYVKSRGIDPKVARKFDLGYAPSSEALVKVLKENDLLEAYLETKNLLSPTKGVYRDLFLRRVVIPIKDPRGRVIGFGGRRIVEDKSPKYINSPDSRVFKKGENLFGLYEAKEYIKEEGFAILVEGYFDLLRLFSEGIRNVVAPLGTALTQNQANLLSKFTKKVYILYDGDDAGRKAMKSAIPLLLSAGVEVYPVYLPEGYDPDEFIKEFGKEELRRLINSSGELFETLIKTARENLEEKTREFRYYLGFISDGVRRFALASEFHTKYKVPMEILLMKIEK +>3wkx.A +MNVTITSPFWKRRRDQIVESVIPYQWGVMNDEIDTTVPDDPAGNQLADSKSHAVANLKVAAGELDDEFHGMVFQDSDVYKWLEEAAYALAYHPDPELKALCDRTVDLIARAQQSDGYLDTPYQIKSGVWADRPRFSLIQQSHEMYVMGHYIEAAVAYHQVTGNEQALEVAKKMADCLDANFGPEEGKIHGADGHPEIELALAKLYEETGEKRYLTLSQYLIDVRGQDPQFYAKQLKAMNGDNIFHDLGFYKPTYFQAAEPVRDQQTADGHAVRVGYLCTGVAHVGRLLGDQGLIDTAKRFWKNIVTRRMYVTGAIGSTHVGESFTYDYDLPNDTMYGETCASVAMSMFAQQMLDLEPKGEYADVLEKELFNGSIAGISLDGKQYYYVNALETTPDGLDNPDRHHVLSHRVDWFGCACCPANIARLIASVDRYIYTERDGGKTVLSHQFIANTAEFASGLTVEQRSNFPWDGHVEYTVSLPASATDSSVRFGLRIPGWSRGSYTLTVNGKPAVGSLEDGFVYLVVNAGDTLEIALELDMSVKFVRANSRVRSDAGQVAVMRGPLVYCAEQVDNPGDLWNYRLADGVTGADAAVAFQADLLGGVDTVDLPAVREHADEDDAPLYVDADEPRAGEPATLRLVPYYSWANREIGEMRVFQRRAAALEHHHHHH +>2v0u.A +GEFLATTLERIEKNFVITDPRLPDNPIIFASDSFLQLTEYSREEILGRNCRFLQGPETDRATVRKIRDAIDNQTEVTVQLINYTKSGKKFWNLFHLQPMRDQKGDVQYFIGVQLDGTEHVRDAAEREGVMLIKKTAENIDEAAKEL +>1ka1.A +MALERELLVATQAVRKASLLTKRIQSEVISHKDSTTITKNDNSPVTTGDYAAQTIIINAIKSNFPDDKVVGEESSSGLSDAFVSGILNEIKANDEVYNKNYKKDDFLFTNDQFPLKSLEDVRQIIDFGNYEGGRKGRFWCLDPIDGTKGFLRGEQFAVCLALIVDGVVQLGCIGCPNLVLSSYGAQDLKGHESFGYIFRAVRGLGAFYSPSSDAESWTKIHVRHLKDTKDMITLEGVEKGHSSHDEQTAIKNKLNISKSLHLDSQAKYCLLALGLADVYLRLPIKLSYQEKIWDHAAGNVIVHEAGGIHTDAMEDVPLDFGNGRTLATKGVIASSGPRELHDLVVSTSCDVIQSRNA +>1hc9.B +IVCHTTATSPISAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG +>5vz0.A +LVPRGSHMKKLLVANRGEIAVRVFRACNELGLSTVAVYAREDEYSVHRFKADESYLIGQGKKPIDAYLDIDDIIRVALESGADAIHPGYGLLSENLEFATKVRAAGLVFVGPELHHLDIFGDKIKAKAAADEAKVPGIPGTNGAVDIDGALEFAKTYGYPVMIKAALGGGGRGMRVARNDAEMHDGYARAKSEAIGAFGSGEIYVEKYIENPKHIEVQILGDRHGNIIHLHERDCSVQRRNQKVIEIAPAVGLSPDFRNEICEAAVKLCKNVGYVNAGTVEFLVKDDKFYFIEVNPRVQVEHTITELITGVDIVQAQILIAQGKDLHREIGLPAQSEIPLLGSAIQCRITTEDPQNGFLPDTGKIDTYRSPGGFGIRLDVGNAYAGYEVTPYFDSLLVKVCTFANEFSDSVRKMDRVLHEFRIRGVKTNIPFLINVIANENFTSGQATTTFIDNTPSLFNFPRLRDRGTKTLHYLSMITVNGFPGIENTEKRHFEEPRQPLLNLEKKKTAKNILDEQGADAVVDYVKNTKEVLLTDTTLRDAHQSLLATRLRLQDMKGIAQAIDQGLPELFSAEMWGGATFDVAYRFLNESPWYRLRKLRKLMPNTMFQMLFRGSNAVGYQNYPDNVIEEFIRVAAHEGIDVFRIFDSLNWLPQMEKSIQAVRDNGKIAEATICYTGDILDPSRPKYNIQYYKDLAKELEATGAHILAVKDMAGLLKPQAAYRLISELKDTVDLPIHLHTHDTSGNGIITYSAATQAGVDIIDVATASLAGGTSQPSMQSIYYALEHGPRHASINVKNAEQIDHYWEDVRKYYAPFEAGITSPQTEVYMHEMPGGQYTNLKSQAAAVGLGHRFDEIKQMYRKVNMMFGDIIKVTPSSKVVGDMALFMIQNDLTEEDVYARGNELNFPESVVSFFRGDLGQPVGGFPEKLQKIIVKDKAVITDRPGLHAEKVDFETVKADLEQKIGYEPGDHEVISYIMYPQVFLDYQKMQREFGAVTLLDTPTFLHGMRLNEKIEVQIEKGKTLSIRLDEIGEPDLAGNRVLFFNLNGQRREVVINDQSVQAQVVAKRKAETGNPNQIGATMPGSVLEILVKAGDKVQKGQALMVTEAMKMETTIEAPFDGEIVDLHVVKGEAIQTQDLLIEIN +>1pby.C +MNALVGCTTSFDPGWEVDAFGAVSNLCQPMEADLYGCADPCWWPAQVADTLNTYPNWSAGADDVMQDWRKLQSVFPETK +>3tgt.A +VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE +>6b1z.A +MAHHHHHHMEKVRVRFAPSPTGPLHLGGVRTALYDYLFAKHNGGDFILRIEDTDTQRYVPGSEEYIMEALEWIGMVPDESPKHGGPYAPYRQSERRDIYDRYTEQILKTDYAYLAFDTPEELDQIRAEFEARGDVFAYNYETRNRLRNSISLPEEEVKKLLEEKTPYVIRFKMPLDRIINLNDIIRGKFSVNTNTLDDKVLVKNDGMPTYHFANIIDDHEMKITHVIRGEEWLPSMALHVLLYEAMGWDAPEFAHLSLILKPEGKGKLSKRDGDKFGFPVFPLNFTDPATGNTSAGYREEGYLPEAFINMVAMLGWSPADNKEIVSMDEMIKEFDLNKVHKAGARFSAEKAKWFNQQYLQLMSNEAILPEFKKVLAENNVEVSDEKALKIIGLMKERATFVKDIYNDGKFFFHAPESFDEKASKKAWSPETAVLMQELTEAISSLDFKAEIIKESIHHLAEAKGLGMGKVMMPLRLSLVGELKGPDVPDLMEMIGKEETISRINKAIETLK +>3e8t.A +GVLPVEKCNLEDSACMTSAFQQALPTFVAGLPDHGVEVMDVLDLDDFAFDLSGLQFTLKEGKLKGLKGAVIDNVKWDLKKKNIEVDFHLDATVKGHYTAGGRILILPITGDGQMKLKLKNIHIHLVVSYEMEKDAEGVDHVIFKKYTVTFDVKDNAQFGLTNLFNGNKELSDTMLTFLNQNWKQVSEEFGKPVMEAAAKKIFKNIKHFLAKVPIAEIANV +>3rxy.A +SNAMAGLSTAELVDIALEMAEMRTLPADSAVYVESTDLKRVMMGIDIGPAELLLARQLGCDGVIAHHPAGGSATLNFPEVLTRHVELMVEHGVPATAARDAIQGLLTRSLLRAQSANHDHTPSVARLLEMPFLNIHLPLDEVGRRIMVKTIQEAVEPLGDEARVQDAIDALMTLPEFAGAATRIMVPVGAVDQPLGKIAVVHGAGTNGGYAVARAYFDHGVRTVLYIHIAPEEAERLRREGGGNLIVTGHIASDLVGINRYVQALEERGVEVVRMSGL +>2ims.A +EPALPSASEEQVAQDTEEVFRSYVFYRHQQEQEAEGVAAPADPEMVTLPLQPSSTMGQVGRQLAIIGDDINRRYDSEFQTMLQHLQPTAENAYEYFTKIATSLFESGINWGRVVALLGFGYRLALHVYQHGLTGFLGQVTRFVVDFMLHHCIARWIAQRGGWVAALNLGNG +>1g6g.A +GENIVCRVICTTGQIPIRDLSADISQVLKEKRSIKKVWTFGRNPACDYHLGNISRLSNKHFQILLGEDGNLLLNDISTNGTWLNGQKVEKNSNQLLSQGDEITVGVGVESDILSLVIFINDKFKQCL +>7a66.B +MKIRAKVELTWEYEDEETAKAIANAVNVDNISIPEKLKKSLNLITFPDGARVVTKVKYEGEIESLVVALDDLIFAIKVAEEVLWSH +>3obl.B +ALYNVENQWGGSSAPWNEGGQWEIGSRSDQNVVAINVESGDDGQTLNGTMTYAGEGPIGFRATLLGNNSYEVENQWGGDSAPWHSGGNWILGSRENQNVVAINVESGDDGQTLNGTMTYAGEGPIGFKGTLT +>3ebh.A +PKIHYRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDISKHNVGEDLVFDGVGLKINEISINNKKLVEGEEYTYDNEFLTIFSKFVPKSKFAFSSEVIIHPETNYALTGLYKSKNIIVSQCEATGFRRITFFIDRPDMMAKYDVTVTADKEKYPVLLSNGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKHLSATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAFDEDYFGLEYDLSRLNLVAVSDFNVGAMENKGLNIFNANSLLASKKNSIDFSYARILTVVGHEYFHQYTGNRVTLRDWFQLTLKEGLTVHRENLFSEEMTKTVTTRLSHVDLLRSVQFLEDSSPLSHPIRPESYVSMENFYTTTVYDKGSEVMRMYLTILGEEYYKKGFDIYIKKNDGNTATCEDFNYAMEQAYKMKKADNSANLNQYLLWFSQSGTPHVSFKYNYDAEKKQYSIHVNQYTKPDENQKEKKPLFIPISVGLINPENGKEMISQTTLELTKESDTFVFNNIAVKPIPSLFRGFSAPVYIEDQLTDEERILLLKYDSDAFVRYNSCTNIYMKQILMNYNEFLKAKNEKLESFQLTPVNAQFIDAIKYLLEDPHADAGFKSYIVSLPQDRYIINFVSNLDTDVLADTKEYIYKQIGDKLNDVYYKMFKSLEAKADDLTYFNDESHVDFDQMNMRTLRNTLLSLLSKAQYPNILNEIIEHSKSPYPSNWLTSLSVSAYFDKYFELYDKTYKLSKDDELLLQEWLKTVSRSDRKDIYEILKKLENEVLKDSKNPNDIRAVYLPFTNNLRRFHDISGKGYKLIAEVITKTDKFNPMVATQLCEPFKLWNKLDTKRQELMLNEMNTMLQEPQISNNLKEYLLRLTNK +>3twz.A +GSHMASNKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNELKK +>2zzd.E +MSSSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDVGGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQTVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGEYLPPKAK +>2ov9.C +VSVGTHPTFENSPSGTVLTSPPDGSAVDRATDAARRVVDALLRTDRGNANLERVAEELNSIAGHLEEHAPAVAERLIDMWNGEGVTRHDPVTGPENALAPPVVLEGLSDGSVRGTVTLTIPYQGPPGHVHGGVSALLLDHVLGVANAWGGKAGMTAQLSTRYHRPTPLFEPLTLTGKLMSVDGRKITTAGDIRTADGQVCVSVEGLFVDKTVPRPR +>5cof.A +SMSVPQTKAELLLAIDKNFSKLISYLNTIPPEITSDKSMDGHAKGTEMSVRDLVSYLLGWNALVVKWIASDAKGLPVDFPETGYKWNQLGLLAQKFYSDYSELSYELLVAELQTVKNEIVNLINDRTDDILYGRPWYTKWTMGRMISFNTSSPYANANGRLRKWAKNNNISLK +>5eg7.A +ISSSFSFGGFTFKRTSGSSVKKEEEVLTGNLQTLKIRVHEGYEEFTMVGRRATAILRKATRRLIQLIVSGRDEQSIAEAIIVAMVFSQEDCMIKAVRGDLNFGSGLNPMHQLLRHFQKDAKVLFQNWGIESIDNVMGMIGILPDMTPSTEMSLRGIRVSKM +>1wpb.A +GHMIQESTMEMTNAQRLILSNQYKMMTMLDPANAERYRRLQTIIERGYGLQMRELDREFGELKEETCRTIIDIMEMYHALHVSWSNLQDQQSIDERRVTFLGFDAATEARYLGYVRFMVNVEGRYTHFDAGTHGFNAQTPMWEKYQRMLNVWHACPRQYHLSANEINQIINA +>1rss.A +MAEVRQLQPDLVYGDVLVTAFINKIMRDGKKNLAARIFYDACKIIQEKTGQEPLKVFKQAVENVKPRMEVRSRRVGGANYQVPMEVSPRRQQSLALRWLVQAANQRPERRAAVRIAHELMDAAEGKGGAVKKKEDVERMAEANRAYAHYRW +>3bjd.B +GHMNTRNFSLPQLQNLPIEEARIVADALAVHATSRQIDSAASKLAALAEAGLKGDRQAYAAYQQLLYVLSLSDDVATAQTRRWLARAIYRVEERFMPAADLSRALSEEDFQKRLEQEIAAQSRERHPMSQYVFSGSASRAQLQVFLRHQWFRTFRLYRDAADLLVNLTDVDEAAALARYLYGELGEEDEKGSHPRLLAKLLEAIGLEADFQAVSTMPEEIAYLNNRARAFRHAEVGWGLAVFYITELVVPGNHEKLYRALLQAGLSEDQAEYYKVHISLVPPRAKREWQLIARRIPDVQFQNAFLTSLSQHFRVERAYYDAIWEEMQSVKGS +>6okd.C +GSREGCASRCMKYNDELEKCEARMMSMSNTEEDCEQELEDLLYCLDHCHSQ +>3boe.A +SISPAQIAEALQGRGWDAEIVTDASMAGQLVDVRPEGILKCVDGRGSDNTRMGGPKMPGGIYAIAHNRGVTSIEGLKQITKEVASKGHLPSVHGDHSSDMLGCGFFKLWVTGRFDDMGYPRPQFDADQGANAVKDAGGIIEMHHGSHTEKVVYINLLANKTLEPNENDQRFIVDGWAADKFGLDVPKFLIAAAATVEMLGGPKNAKIVVP +>2inc.A +SMLKREDWYDLTRTTNWTPKYVTENELFPEEMSGARGISMEAWEKYDEPYKITYPEYVSIQREKDSGAYSIKAALERDGFVDRADPGWVSTMQLHFGAIALEEYAASTAEARMARFAKAPGNRNMATFGMMDENRHGQIQLYFPYANVKRSRKWDWAHKAIHTNEWAAIAARSFFDDMMMTRDSVAVSIMLTFAFETGFTNMQFLGLAADAAEAGDHTFASLISSIQTDESRHAQQGGPSLKILVENGKKDEAQQMVDVAIWRSWKLFSVLTGPIMDYYTPLESRNQSFKEFMLEWIVAQFERQLLDLGLDKPWYWDQFMQDLDETHHGMHLGVWYWRPTVWWDPAAGVSPEEREWLEEKYPGWNDTWGQCWDVITDNLVNGKPELTVPETLPTICNMCNLPIAHTPGNKWNVKDYQLEYEGRLYHFGSEADRWCFQIDPERYKNHTNLVDRFLKGEIQPADLAGALMYMSLEPGVMGDDAHDYEWVKAYQ +>1v7r.A +MKIFFITSNPGKVREVANFLGTFGIEIVQLKHEYPEIQAEKLEDVVDFGISWLKGKVPEPFMIEDSGLFIESLKGFPGVYSSYVYRTIGLEGILKLMEGAEDRRAYFKSVIGFYIDGKAYKFSGVTWGRISNEKRGTHGFGYDPIFIPEGSEKTFAEMTIEEKNALSHRGKALKAFFEWLKVNLKY +>1fn9.A +MEVCLPNGHQVVDLINNAFEGRVSIYSAQEGWDKTISAQPDMMVCGGAVVCMHCLGVVGSLQRKLKHLPHHRCNQQIRHQDYVDVQFADRVTAHWKRGMLSFVAQMHEMMNDVSPDDLDRVRTEGGSLVELNWLQVDPNSMFRSIHSSWTDPLQVVDDLDTKLDQYWTALNLMIDSSDLIPNFMMRDPSHAFNGVKLGGDARQTQFSRTFDSRSSLEWGVMVYDYSELEHDPSKGRAYRKELVTPARDFGHFGLSHYSRATTPILGKMPAVFSGMLTGNCKMYPFIKGTAKLKTVRKLVEAVNHAWGVEKIRYALGPGGMTGWYNRTMQQAPIVLTPAALTMFPDTIKFGDLNYPVMIGDPMILG +>3on9.A +GAMGSFNSIDVEINMYPVNKTSCNSSIGSSSTISTSELTITLTHEDCTPVFIGDYYSVVDKLATSGFFTNDKVHQDLTTQCKINLEIKCNSGRESRQLTPTTKVYLMPHSETVTVVGDCLSNLDVYIVYANTDAIYSDMDVVAYHTSYILNVDHIPPNDCERD +>1koe.A +QPVLHLVALNTPLSGGMRGIRGADFQCFQQARAVGLSGTFRAFLSSRLQDLYSIVRRADRGSVPIVNLKDEVLSPSWDSLFSGSQGQLQPGARIFSFDGRDVLRHPAWPQKSVWHGSDPSGRRLMESYCETWRTETTGATGQASSLLSGRLLEQKAASCHNSYIVLCIENSF +>3fke.A +GHMGKPDISAKDLRNIMYDHLPGFGTAFHQLVQVICKLGKDSNSLDIIHAEFQASLAEGDSPQCALIQITKRVPIFQDAAPPVIHIRSRGDIPRACQKSLRPVPPSPKIDRGWVCVFQLQDGKTLGLKI +>3ino.A +GSRFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVINDRYDMLNISSLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGYEIG +>2bln.B +MKTVVFAYHDMGCLGIEALLAAGYEISAIFTHTDNPGEKAFYGSVARLAAERGIPVYAPDNVNHPLWVERIAQLSPDVIFSFYYRHLIYDEILQLAPAGAFNLHGSLLPKYRGRAPLNWVLVNGETETGVTLHRMVKRADAGAIVAQLRIAIAPDDIAITLHHKLCHAARQLLEQTLPAIKHGNILEIAQRENEATCFGRRTPDDSFLEWHKPASVLHNMVRAVADPWPGAFSYVGNQKFTVWSSRVHPHASKAQPGSVISVAPLLIACGDGALEIVTGQAGDGITMQGSQLAQTLGLVQGSRLN +>2x5r.A +GAMARVGPKIEITHGGKKYTVFSKVTHLVPRTENGEEAEYVVFGPEKEGVISVVVLAPKDLNEEALALRVKWFNDTKPRCVKCGAAYNGKNHFRVVAIRNGTYYLDAVCDKCEPRITWLSAIVIGRS +>6eu8.A +MDKKDDVKETIKKSKTIDATKYEMWTYVNLETGQTETHRDFSEWHVMKNGKLLETIPAKGSEADIKIKWHIAIHRFDIRTNEGEAIATKETEFSKVTGLPAGDYKKDVEIKDKMLVGFNMADMMKSKFTVAGMAKVNPVLKTWIVENPMGKAPVLSKSVFVVKFKDGSYAKIKFTDATNDKQEKGHVSFNYEFQPK +>1nf8.A +MSGIPEITAYPLPTAQQLPANLARWSLEPRRAVLLVHAMQRYFLRPLPESLRAGLVANAARLRRWCVEQGVQIAYTAQPGSMTEEQRGLLKDFWGPGMRASPADREVVEELAPGPDDWLLTKWRYSAFFHSDLLQRMRAAGRDQLVLCGVYAHVGVLISTVDAYSNDIQPFLVADAIADFSEAHHRMALEYAASRCAMVVTTDEVLE +>1iom.A +MEVARGLEGVLFTESRMCYIDGQQGKLYYYGIPIQELAEKSSFEETTFLLLHGRLPRRQELEEFSAALARRRALPAHLLESFKRYPVSAHPMSFLRTAVSEFGMLDPTEGDISREALYEKGLDLIAKFATIVAANKRLKEGKEPIPPREDLSHAANFLYMANGVEPSPEQARLMDAALILHAEHGFNASTFTAIAAFSTETDLYSAITAAVASLKGPRHGGANEAVMRMIQEIGTPERAREWVREKLAKKERIMGMGHRVYKAFDPRAGVLEKLARLVAEKHGHSKEYQILKIVEEEAGKVLNPRGIYPNVDFYSGVVYSDLGFSLEFFTPIFAVARISGWVGHILEYQELDNRLLRPGAKYVGELDVPYVPLEARE +>1zn6.A +MCSHYQALKDQERMRKYFAAHPSAEVPADMWPRYMGAFIRRPLEWDSGDEAVPEREAATGRWGMIPPGTRPEKLAEASKKNTSNARSETAHQLWTFRNAWAKAQHCIIPADAIYEPDWRSGKAVPTRFTRADGAPLGIAGLWDRYRNAAGEWIDSYTMLTINADDDPLFRDYHQAGKEKRMVVILPDGAYGDWLTAPATDTRDFLLPYPADRLVAAAVKLEHHHHHH +>2cwy.A +MVPDWEEVLGLWRAGRYYEVHEVLEPYWLKATGEERRLLQGVILLAAALHQRRLGRPGLRNLRKAEARLEGLPCPLMGLDWRSLLQEARRRLGA +>6mbg.A +SNATGERFHPLLGRRVLDPAPGARCFTGTVSSDRPAYLGEHWVYDAIVVLGVTYLEMALAAASRLLPGNAADTLIVEDVTVWSPLVLRAGAPARLRLRSEDERFEIHSAEPERSDDESAWTRHATGRIARRQLSPDATGQLPRLDGEAVELDAYYERMRIYYGPRLRNIRHLERRGREAIGHVCLQGEEAQESASYELHPALLDACFQCVFALIYAHESHREPFVPLGCARIELRARGVREVRVHLRLHPPRSTDHNQTHTADLRLFDMEGRLVASVDALQLKRA +>4z9p.A +AVRQRVIPVYQVNNLEEICQLIIQAFEAGVDFQESADSFLLMLCLHHAYQGDYKLFLESGAVKYLEGHGFRFEVKKRDGVKRLEELLPAVSSGKNIKRTLAAMPEEETTEANAGQFLSFASLFLPKLVVGEKACLEKVQRQIQVHAEQGLIQYPTAWQSVGHMMVIFRLMRTNFLIKFLLIHQGMHMVAGHDANDAVISNSVAQARFSGLLIVKTVLDHILQKTERGVRLHPLARTAKVKNEVNSFKAALSSLAKHGEYAPFARLLNLSGVNNLEHGLFPQLSAIALGVATAHGSTLAGVNVGEQYQQLREAATEAE +>16pk.A +EKKSINECDLKGKKVLIRVDFNVPVKNGKITNDYRIRSALPTLKKVLTEGGSCVLMSHLGRPKGIPMAQAGKIRSTGGVPGFQQKATLKPVAKRLSELLLRPVTFAPDCLNAADVVSKMSPGDVVLLENVRFYKEEGSKKAKDREAMAKILASYGDVYISDAFGTAHRDSATMTGIPKILGNGAAGYLMEKEISYFAKVLGNPPRPLVAIVGGAKVSDKIQLLDNMLQRIDYLLIGGAMAYTFLKAQGYSIGKSKCEESKLEFARSLLKKAEDRKVQVILPIDHVCHTEFKAVDSPLITEDQNIPEGHMALDIGPKTIEKYVQTIGKCKSAIWNGPMGVFEMVPYSKGTFAIAKAMGRGTHEHGLMSIIGGGDSASAAELSGEAKRMSHVSTGGGASLELLEGKTLPGVTVLDDK +>3qc5.X +RAVTESAPNVEYHDVKGDMIQSVTTSFDDTSRLLTWTINLTPRQVKSNLGALVSISGNQETRTVTINGKNAANGGVYNSGGAWNLYTGESVNNNVLRITTQVNDTGGEVKLGLRLVTSDKKITKTNLPLEFSQVAATTNGSWDKAGYNTTIVEKDTERPVVNVPSEITVYRGESFEYFATVTDNSNAFDLAKTVVRWLYSNQPGRGTEWLQYSVTQVGNQLKVRIFGNVPIDTTIGDYTRYVVATDAAGNVNATQTEMGNAAVDKTSVNGQFKLIIRFRIKTPENTVFVNNPNQLTEVEKNLVREAVKKSNPDLRAQDVLNSNYVTGITVSNNGTTTITYRDGRKDIIDGSKFIDTRAGS +>6bm5.A +GSKKPRTPPVTLEAARDNDFAFDWQAYTPPVAHRLGVQEVEASIETLRNYIDWTPFFMTWSLAGKYPRILEDEVVGVEAQRLFKDANDMLDKLSAEKTLNPRGVVGLFPANRVGDDIEIYRDETRTHVINVSHHLRQQTEKTGFANYCLADFVAPKLSGKADYIGAFAVTGGLEEDALADAFEAQHDDYNKIMVKALADRLAEAFAEYLHERVRKVYWGYAPNENLSNEELIRENYQGIRPAPGYPACPEHTEKATIWELLEVEKHTGMKLTESFAMWPGASVSGWYFSHPDSKYYAVAQIQRDQVEDYARRKGMSVTEVERWLAPNLGYDAD +>3l51.B +GKVLDAIIQEKKSGRIPGIYGRLGDLGAIDEKYDIAISSCCHALDYIVVDSIDTAQECVNFLKKHNIGIATFIGLDKMTVWAKKMSKIQTPENTPRLFDLVKVKNEEIRQAFYFALRDTLVANNLDQATRVAYQRDRRWRVVTLQGQIIEQSGTMSGGLEHHHHHH +>4m37.A +GYRPPDAFVNRIDRNIPVPARLRHTPVSLIEAVNDFHYAMMNDEERNNFYYEVLKKHVTPETGVLEIGAGSGLLSLMAAKLGAKWVVAVEGSEELAKLARENIRANNMEHQVKVLHMMSTELKSKHLPEPPDVLLSEIFGTMMLGESALDYVVDVRNRLLKPTTKIIPQFGTQYAVPIECDALHRISSVSGWRDLDLKHMMTLQDTVSIVFAKHYGIRMNSVNFRRLSDPIELFRVDFSSSNRNDIPRRKHFDVVAKESGTAHAMLFYWKVTDDEFVMSTDPEDTVNNFPRDMQWGQALQLLDASNGPLPTPVVFTEGKNYNFECNFSGDRVILHMQLCPESG +>5i8j.A +SMSKLTKVTFIGWFKSGEMFTKDIMLSGDREEIEWVTVQLAEVNNALVKAFINDEKVFEADFRG +>6f45.D +MAVQGPWVGSSYVAETGQNWASLAANELRVTERPFWISSFIGRSKEEIWEWTGENHSFNKDWLIGELRNRGGTPVVINIRAHQVSYTPGAPLFEFPGDLPNAYITLNIYADIYGRGGTGGVAYLGGNPGGDCIHNWIGNRLRINNQGWICGGGGGGGGFRVGHTEAGGGGGRPLGAGGVSSLNLNGDNATLGAPGRGYQLGNDYAGNGGDVGNPGSASSAEMGGGAAGRAVVGTSPQWINVGNIAGSWL +>5um3.A +GPLGSLCGRVFKVGEPTYSCRDCAVDPTCLLCMECFLGSIHRDHRYRMTTSGGGGFCDCGDTEAWKEGPYCQKHE +>6in7.A +MMSREALQETLSAVMDNEADELELRRVLAACGEDAELRSTWSRYQLARSVMHREPTLPKLDIAAAVSAALADEAAPPKAEK +>2xrh.A +AIDPFTMAKDFSKTSDEDLAKMAGVVAPQDIVDYTKELKKRMEKMPEDKRKAFHKQLHEYATKNTDKMTVADFEARQKAVKEALKKGNMEDMDDDFGLRS +>3pvh.A +SASEFNILNDGPPKETYVVDDAGVLSRVTKSDLKKLLSDLEYRKKLRLNFITVRKLTSKADAFEYADQVLEKWYPSIEEGNNKGIVVLITSQKEGAITGGPAFIEAVGENILDATVSENLPVLATDEKYNEAVYSSAKRLVAAIDGQPDPGGP +>3fkc.A +MESRKLISATDIQYSGSLLNSLNEQRGHGLFCDVTVIVEDRKFRAHKNILSASSTYFHQLFSVAGQVVELSFIRAEIFAEILNYIYSSKIVRVRSDLLDELIKSGQLLGVKFIAAL +>3b49.A +SNAMTEKKIDFKKEEKKFYAPKRKPERIFVPEMNFLMVDGKGDPDGEEYQKAVQSLYAIAYTIKMSKMGETRLDGYSDFVVPPLEGFWWSEGKFDLKDRDAWLWTSILRQPDFVTEEVLEWAKEVARKKKPDVDTSRVKLVRFEEGECVQMMHVGPFSEEVHTVAEMHQFMETEGLRNDTGAIRKHHEIYLSDPRKANPEKMKTILRLPVS +>1u8v.C +MLMTAEQYIESLRKLNTRVYMFGEKIENWVDHPMIRPSINCVRMTYELAQDPQYADLMTTKSNLIGKTINRFANLHQSTDDLRKKVKMQRLLGQKTASCFQRCVGMDAFNAVFSTTYEIDQKYGTNYHKNFTEYLKYIQENDLIVDGAMTDPKGDRGLAPSAQKDPDLFLRIVEKREDGIVVRGAKAHQTGSINSHEHIIMPTIAMTEADKDYAVSFACPSDADGLFMIYGRQSCDTRKMEEGADIDLGNKQFGGQEALVVFDNVFIPNDRIFLCQEYDFAGMMVERFAGYHRQSYGGCKVGVGDVVIGAAALAADYNGAQKASHVKDKLIEMTHLNETLYCCGIACSAEGYPTAAGNYQIDLLLANVCKQNITRFPYEIVRLAEDIAGGLMVTMPSEADFKSETVVGRDGETIGDFCNKFFAAAPTCTTEERMRVLRFLENICLGASAVGYRTESMHGAGSPQAQRIMIARQGNINAKKELAKAIAGIK +>1dtd.B +DESFLCYQPDQVCCFICRGAAPLPSEGECNPHPTAPWCREGAVEWVPYSTGQCRTTCIPYV +>2a6s.B +MKLIWSEESWDDYLYWQETDKRIVKKINELIKDTRRTPFEGKGKPEPLKHNLSGFWSRRITEEHRLVYAVTDDSLLIAACRYHY +>3ueb.E +MDKGSSGKRVIHIGLPELSEEQLIEIGELAQETIIDYVFDHLTRSEVKDIEVTMRINREETLDLEIEVYLEVPIFVKVDVDKLIDEAVERAYEIVERKLREIANERENQA +>2fma.A +EACKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPL +>3lpc.A +APNDQHYREQWHYFDRYGVKADKVWDMGFTGQNVVVAVVDTGILHHRDLNANVLPGYDFISNSQISLDGDGRDADPFDEGDWFDNWACGGRPDPRKERSDSSWHGSHVAGTIAAVTNNRIGVAGVAYGAKVVPVRALGRCGGYDSDISDGLYWAAGGRIAGIPENRNPAKVINMSLGSDGQCSYNAQTMIDRATRLGALVVVAAGNENQNASNTWPTSCNNVLSVGATTSRGIRASFSNYGVDVDLAAPGQDILSTVDSGTRRPVSDAYSFMAGTSMATPHVSGVAALVISAANSVNKNLTPAELKDVLVSTTSPFNGRLDRALGSGIVDAEAAVNSVLG +>7onn.A +STSRGMITDRSGRPLAVSVPVGGGESRRYYPSGEVTAHLIGFTNVDSQGIEGVEKSFDKWLTGQGGGAAHNLALSIDERLQALVYRELNNAVAFNKAESGSAVLVDVNTGEVLAMANSPSYNPNNLSGTPKEAMRNRTITDVFEPGSTVKPMVVMTALQRGVVRENSVLNTIPYRINGHEIKDVARYSELTLTGVLQKSSNVGVSKLALAMPSSALVDTYSRFGLGKATNLGLVGERSGLYPQKQRWSDIERATFSFGYGLMVTPLQLARVYATIGSYGIYRPLSITKVDPPVPGERVFPESIVRTVVHMMESVALPGGGGVKAAIKGYRIAIKTGTAKKVGPDGRYINKYIAYTAGVAPASQPRFALVVVINDPQAGKYYGGAVSAPVFGAIMGGVLRTMNIEPDALTT +>2ehq.A +MTVEPFRNEPIETFQTEEARRAMREALRRVREEFGRHYPLYIGGEWVDTKERMVSLNPSAPSEVVGTTAKAGKAEAEAALEAAWKAFKTWKDWPQEDRSRLLLKAAALMRRRKRELEATLVYEVGKNWVEASADVAEAIDFIEYYARAALRYRYPAVEVVPYPGEDNESFYVPLGAGVVIAPWNFPVAIFTGMIVGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVGEEVGAYLVEHPRIRFINFTGSLEVGLKIYEAAGRLAPGQTWFKRAYVETGGKDAIIVDETADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEPVLERVLKRAERLSVGPAEENPDLGPVVSAEQERKVLSYIEIGKNEGQLVLGGKRLEGEGYFIAPTVFTEVPPKARIAQEEIFGPVLSVIRVKDFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALVGVQPFGGFKLSGTNAKTGALDYLRLFLEMKAVAERF +>6fub.B +METGNKYIEKRAIDLSRERDPNFFDNPGIPVPECFWFMFKNNVRQDAGTCYSSWKMDMKVGPNWVHIKSDDNCNLSGDFPPGWIVLGKKRPGF +>3b4q.B +SNALNSAPTPRDVVANAPAPVQAAVAGAQEYAAQAGLNTEELAVDALYNAIKVRLAGTGLGIPPQIEAFYQANRTNFNGFYMANRGAIDFIFSM +>3bzn.A +MQSLTTALENLLRHLSQEIPATPGIRVIDIPFPLKDAFDALSWLASQQTYPQFYWQQRNGDEEAVVLGAITRFTSLDQAQRFLRQHPEHADLRIWGLNAFDPSQGNLLLPRLEWRRCGGKATLRLTLFSESSLQHDAIQAKEFIATLVSIKPLPGLHLTTTREQHWPDKTGWTQLIELATKTIAEGELDKVVLARATDLHFASPVNAAAMMAASRRLNLNCYHFYMAFDGENAFLGSSPERLWRRRDKALRTEALAGTVANNPDDKQAQQLGEWLMADDKNQRENMLVVEDICQRLQADTQTLDVLPPQVLRLRKVQHLRRCIWTSLNKADDVICLHQLQPTAAVAGLPRDLARQFIARHEPFTREWYAGSAGYLSLQQSEFCVSLRSAKISGNVVRLYAGAGIVRGSDPEQEWQEIDNKAAGLRTLLQME +>1qxo.A +MRYLTAGESHGPRLTAIIEGIPAGLPLTAEDINEDLRRRQGGYGRGGRMKIENDQVVFTSGVRHGKTTGAPITMDVINKDHQKWLDIMSAEDIEDRLKSKRKITHPRPGHADLVGGIKYRFDDLRNSLERSSARETTMRVAVGAVAKRLLAELDMEIANHVVVFGGKEIDVPENLTVAEIKQRAAQSEVSIVNQEREQEIKDYIDQIKRDGDTIGGVVETVVGGVPVGLGSYVQWDRKLDARLAQAVVSINAFKGVEFGLGFEAGYRKGSQVMDEILWSKEDGYTRRTNNLGGFEGGMTNGQPIVVRGVMKPIPTLYKPLMSVDIETHEPYKATVERSDPTALPAAGMVMEAVVATVLAQEILEKFSSDNLEELKEAVAKHRDYTKNY +>3m66.A +DYVDHSETLQKLVLLGVDLSKIEKHPEAANLLLRLDFEKDIKQMLLFLKDVGIEDNQLGAFLTKNHAIFSEDLENLKTRVAYLHSKNFSKADVAQMVRKAPFLLNFSVERLDNRLGFFQKELELSVKKTRDLVVRLPRLLTGSLEPVKENMKVYRLELGFKHNEIQHMITRIPKMLTANKMKLTETFDFVHNVMSIPHHIIVKFPQVFNTRLFKVKERHLFLTYLGRAQYDPAKPNYISLDKLVSIPDEIFCEEIAKASVQDFEKFLKTL +>3mhs.B +MTMDTAQLKSQIQQYLVESGNYELISNELKARLLQEGWVDKVKDLTKSEMNINESTNFTQILSTVEPKALEMVSDSTRETVLKQIREFLEEIVDTQ +>4e1p.A +MAKKVTVTLVDDFDGSGAADETVEFGLDGVTYEIDLSTKNATKLRGDLKQWVAAGRRVGGR +>4g6d.B +MKLKILDKDNATLNVFHRNKEHKTIDNVPTANLVDWYPLSNAYEYKLSRNGEYLELKRLRSTLPSSYGLDDNNQDIIRDNNHRCKIGYWYNPAVRKDNLKIIEKAKQYGLPIITEEYDANTVEQGFRDIGVIFQSLKTIVVTRYLEGKTEEELRIFNMKSEESQLNEALKESDFSVDLTYSDLGQIYNMLLLMKKISK +>1y0n.A +GHMLIPHDLLEADTLNNLLEDFVTREGTDNGDETPLDVRVERARHALRRGEAVILFDPESQQCQLMLRSEVPAELLRD +>6j33.B +MDVVVRLPDVAVPGEAVQASARQAVIHLVDIAGITSSTPADYATKNLYLWNNETCDALSAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVRDGTNKLIDSDLRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALADAHWVDKTTLLWPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTVSQQVSMRFPHLASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQVQTAGVLDDTYAAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKKVIASHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDPYAHSLSTNSEYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHESHIRDLSAWDQTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLPVFDLATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLTQLKQNDSKDNPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTARIKEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQRLNETTGSVESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLMGYHPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGIGTFSDRLRDAVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQARHLADLTRLGMAGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVNYVSKHDNQTLWDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQGSELLRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIARVKDAVATPGETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRNTGADQQTGLLVMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGTSLQLSAIQQAAGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGLPVSSK +>1v7z.F +MSKSVFVGELTWKEYEARVAAGDCVLMLPVGALEQHGHHMCMNVDVLLPTAVCKRVAERIGALVMPGLQYGYKSQQKSGGGNHFPGTTSLDGATLTGTVQDIIRELARHGARRLVLMNGHYENSMFIVEGIDLALRELRYAGIQDFKVVVLSYWDFVKDPAVIQQLYPEGFLGWDIEHGGVFETSLMLALYPDLVDLDRVVDHPPATFPPYDVFPVDPARTPAPGTLSSAKTASREKGELILEVCVQGIADAIREEFPPT +>4qb0.A +GAMANTQSEHSFEEMYRHILRSQGPFDAVLYYHMMKDEPVVFSTSDGKEYTYPDSLEEEYPPWLTEKEAMNEENRFVTLDGQQFYWPVMNHKNKFMAILQHHQ +>1xsz.A +GASHPEIEKAQREIIEAFNAKPKNGINKIKEICEQYKISPNEEIAEFFHQQRKNLDLEAVGDYLSSPEAENQQVLKAFTSQMNFNGQSFVEGLRTFLKTFKLPGEAQKIDRLVQSFSGAYFQQNPDVVSNADAAYLLAFQTIMLNTDLHNPSIPEKNKMTVDGLKRNLRGGNNGGDFDAKFLEELYSEIKAKPFELNFVKTSPGYELTSTTLNKDSTFKKLDSFLHSTDVNINTVFPGIGDNVKTTVDQPKSWLSFFTGYKGTITLTDNKTSAQATIQVYTPNIFSKWLFGEQPRVIIQPGQTKESIDLAAKAAADFSSPVKNFKATYDYEVGDLIKAYDNQKKLITIERNLALKA +>5mux.B +MPKTDRVIEEITDYVLEKEITSAEAYTTAGHVLLDTLGCGILALRYPECTKLLGPIVPGTTVPNGSKVPGTSYVLDPVRAAFNIGCMIRWLDYNDTWLAAEWGHPSDNLGGILAAADYVSRVRLSEGKEPLTVRDVLEMMIKAHEIQGVLALENSLNRVGLDHVLFVKVATTAVAAKLLGGGREEIKNALSNAWIDNAALRTYRHSPNTGSRKSWPAGDATSRGVHLALMSLKGEMGYPTALSAPGWGFQDVLFNKKEIKLARPLDAYVMENVLFKVSYPAEFHAQTAAESAVILHPQVKNRIDEIDRVVIRTHESAIRIIDKKGPLHNPADRDHCLQYITAIGLLFGDITAQHYEAETANDPRIDKLRDKMEVTENKTYTEDYLKPDKRSISNAVQVHFKDGTSTEMVECEFPLGHRFRREEAVPKLLEKFSDNLKTHFPDKQHKHIYERCTSYETLQTMRVNEFVDMFCM +>5l87.A +GAMWHTHSEREKRVSNAVEFLLDSRVRRTPTSSKVHFLKSKGLSAEEICEAFTKVGQPKTLNEIKRILS +>3tvj.I +GSGEVTCEPGTTFKDKCNTCRCGSDGKSAVCTKLWCNQ +>5xbc.B +ASNQVTLAFANDAEISAFGFCTASEAVSYYSEAAASGFMQCRFVSFDLADTVEGLLPEDYVMVVVGTTKLSAYVDTFGSRPRNICGWLLFSNCNYFLEELELTFGRRGGLEHHHHHHH +>1ois.A +DTIKWVTLKHNGVIFPPPYQPLPSHIKLYYDGKPVDLPPQAEEVAGFFAALLESDHAKNPVFQKNFFNDFLQVLKESGGPLNGIEIKEFSRCDFTKMFDYFQLQKEQKKQLTSQEKKQIRLEREKFEEDYKFCELDGRREQVGNFKVEPPDLFRGRGAHPKTGKLKRRVNPEDIVLNLSKDAPVPPAPEGHKWGEIRHDNTVQWLAMWRENIFNSFKYVRLAA +>6ono.C +MDWRHKAVCRDEDPELFFPVGNSGPALAQIADAKLVCNRCPVTTECLSWALNTGQDSGVWGGMSEDERRALKRRNA +>1d4t.A +MDAVAVYHGKISRETGEKLLLATGLDGSYLLRDSESVPGVYCLCVLYHGYIYTYRVSQTETGSWSAETAPGVHKRYFRKIKNLISAFQKPDQGIVIPLQYPVEK +>2v4n.A +SMRILLSNDDGVHAPGIQTLAKALREFADVQVVAPDRNRSGASNSLTLESSLRTFTFDNGDIAVQMGTPTDCVYLGVNALMRPRPDIVVSGINAGPNLGDDVIYSGTVAAAMEGRHLGFPALAVSLNGYQHYDTAAAVTCALLRGLSREPLRTGRILNVNVPDLPLAQVKGIRVTRCGSRHPADKVIPQEDPRGNTLYWIGPPGDKYDAGPDTDFAAVDEGYVSVTPLHVDLTAHSAHDVVSDWLDSVGVGTQW +>2pfx.A +GMTKPKEPTALDLPMADPLPDETQKYFEICQEKLGMVPNVLKAYAFNVEKLNAFTAMYNDLMLGESQLSKLEREMIAVVVSSINKCFYCLVAHGAAVRQLSGDPQLGEMLVMNYRVAPLDARQRVMLDFAAKMTRASAEIEEADREVLRSHGFNDRDIWDIANVTGFFNMTNRVASATAMMPNAEYHGQFR +>1bkp.A +TQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVISKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNMMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDELDAMALTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYDFTIDDFKLINYKHGDKLLFEVAV +>3n4j.A +SNAMLNIVLFEPEIPPNTGNIIRLCANTGCQLHLIKPLGFTWDDKRLRRAGLDYHEFADIKHHHDYQAFLDSEKLDSTQPARLFALTTKGTPAHSAVSYQANDYLLFGPETRGLPAYILDALPAQQKIRIPMQADSRSMNLSNAVSVVVYEAWRQLGYPGALLKE +>1pp0.C +ASDDNVFQPVDQLPEDLIPSSIQVLKFSGKYLKLEQDKAYFDWPGFKTAIDNYTGEDLSFDKYDQSTINQQSQEVGAMVDKIAKFLHDAFAAVVDLSKLAAIILNTFTNLEEESSSGFLQFNTNNVKKNSSWEYRVLFSVPFGDNAPSYFYSLVTTILITADIEEKTGWWGLTSSTKKNFAVQIDALELVVKKGFKAPN +>2ad6.D +YDGQNCKEPGNCWENKPGYPEKIAGSKYDPKHDPVELNKQEESIKAMDARNAKRIANAKSSGNFVFDVK +>4xo1.A +MNIEELKKQAETEIADFIAQKIAEMNKNTGKEVSEMRFTAREKMTGLESYDVKIKIMLEH +>3o04.A +MDKRRVVVTGIGAVTPIGNDAETSWENAKKGVNGVAKMTRLNPDDFPVKIAAELKDFDVEKYLEKKEARKMDRFTHYAIASAEMAVQDSGLVIDDSNANRVGVWIGSGIGGMETFETQYEIFLNRGHRRVSPFFVPMMIPDMGSGQVSIRFGAKGINSTTVTACATATNSIGDAFKVIERGDADAMITGGAEAPITKMSLAGFTANKALSLNPDPETACRPFDKDRDGFIIGEGAGIVILEEYEHAKARGAKIYAEIVGYGATGDAYHITAPAPNGEGAARAMKMAIDDAGLTPDKVDYINAHGTSTPYNDEYETQAIKTVFGEHAKKLAISSTKSMTGHTLGASGGIEAIFALLTIRDNIIAPTIHLKNQDEVCDLDYVPNEAREANVNVVISNSFGFGGHNATLVFKRIED +>5a0n.A +GAMGGFPNDAKGISGNGKYYSLGQIEKLYSNQFATYNNLTVITSDTHENSDNFAFCLANGKRFPSFTDEKPKGIYTLVKDINKEQYTKLLKENHKWSSIPNLNQAWDTFSRLSYMYLKDPTDIVKRAWGTDLNTARTYFHQVIQYEIWRYTDGMRVSSDTNVYIYEKFSPQQKKALEMIRTDLYNFTVPYENLEYRFYKPDWVFGLGFQALATVRWKIEP +>4gn0.A +NPAENIASEISKSVEGAIQQVKNLLTLAADRAEQIVNDLASTTTSTITRPIIELSNTADKIAEGNLEAEVPHQNRADEIGILAKSIERLRRSLKVAMESLEEALK +>2qmj.A +SAECPVVNELERINCIPDQPPTKATCDQRGCCWNPQGAVSVPWCYYSKNHSYHVEGNLVNTNAGFTARLKNLPSSPVFGSNVDNVLLTAEYQTSNRFHFKLTDQTNNRFEVPHEHVQSFSGNAAASLTYQVEISRQPFSIKVTRRSNNRVLFDSSIGPLLFADQFLQLSTRLPSTNVYGLGEHVHQQYRHDMNWKTWPIFNRDTTPNGNGTNLYGAQTFFLCLEDASGLSFGVFLMNSNAMEVVLQPAPAITYRTIGGILDFYVFLGNTPEQVVQEYLELIGRPALPSYWALGFHLSRYEYGTLDNMREVVERNRAAQLPYDVQHADIDYMDERRDFTYDSVDFKGFPEFVNELHNNGQKLVIIVDPAISNNSSSSKPYGPYDRGSDMKIWVNSSDGVTPLIGEVWPGQTVFPDYTNPNCAVWWTKEFELFHNQVEFDGIWIDMNEVSNFVDGSVSGCSTNNLNNPPFTPRILDGYLFCKTLCMDAVQHWGKQYDIHNLYGYSMAVATAEAAKTVFPNKRSFILTRSTFAGSGKFAAHWLGDNTATWDDLRWSIPGVLEFNLFGIPMVGPDICGFALDTPEELCRRWMQLGAFYPFSRNHNGQGYKDQDPASFGADSLLLNSSRHYLNIRYTLLPYLYTLFFRAHSRGDTVARPLLHEFYEDNSTWDVHQQFLWGPGLLITPVLDEGAEKVMAYVPDAVWYDYETGSQVRWRKQKVEMELPGDKIGLHLRGGYIFPTQQPNTTTLASRKNPLGLIIALDENKEAKGELFWDDGETKDTVANKVYLLCEFSVTQNRLEVNISQSTYKDPNNLAFNEIKILGTEEPSNVTVKHNGVPSQTSPTVTYDSNLKVAIITDIDLLLGEAYTVEWAH +>3jtz.A +MSLTDAKIRTLKPSDKPFKVSDSHGLYLLVKPGGSRHWYLKYRISGKESRIALGAYPAISLSDARQQREGIRKMLALNINLEHHHHHH +>3cy4.A +TEEKTCDLVGEKGKESEKELALLKRLTPLFQKSFESTVGQSPDMYSYVFRVCREAGQHSSGAGLVQIQKSNGKETVVGRFNETQIFQGSNWIMLIYKGGDEYDNHCGREQRRAVVMISCNRHTLADNFNPVSEERGKVQDCFYLFEMDSSLACS +>2nnu.A +GSGSMETLCQRLNVCQDKILTHYENDSTDLRDHIDYWKHMRLECAIYYKAREMGFKHINHQVVPTLAVSKNKALQAIELQLTLETIYNSQYSNEKWTLQDVSLEVYLTAPTGCIKKHGYTVEVQFDGDICNTMHYTNWTHIYICEEASVTVVEGQVDYYGLYYVHEGIRTYFVQFKDDAEKYSKNKVWEVHAGGQVILCPTSVFS +>3lq9.A +SDEHLCANLMQLLQESLAQARLGSRRPARLLMPSQLVSQVGKELLRLAYSEPCGLRGALLDVCVEQGKSCHSVGQLALDPSLVPTFQLTLVLRLDSRLWPKIQGLFSSANSPSQSLTLSTGFRVIKKKLYSSEQ +>5cyz.C +EATECLTRSNLKKLQEKIFDRELNDIACDHCLCSTENRRDIKYSRLWFLFELEMSENWNENLRLSCYNKYVYSAIDESWKMENILLKEQEKHYEYFPIGQLLIPN +>1ocy.A +RVVTQNEIDRTIPVGAIMMWAADSLPSDAWRFCHGGTVSASDCPLYASRIGTRYGGSSSNPGLPDMRGLFVRGSGRGSHLTNPNVNGNDQFGKPRLGVGCTGGYVGEVQKQQMSYHKHAGGFGEYDDSGAFGNTRRSNFVGTRKGLDWDNRSYFTNDGYEIDPASQRNSRYTLNRPELIGNETRPWNISLNYIIKVKE +>6d7y.A +IKTVLDTAQAPYKGSTVIGHALSKHAGRHPEIWGKVKGSMSGWNEQAMKHFKEIVRAPGEFRPTMNEKGITFLEKRLIDGRGVRLNLDGTFKGFID +>4gvq.C +MLSVNEIAAEIVEDMLDYEEELRIESKKLENGAIVVDCGVNVPGSYDAGIMYTQVCMGGLADVDIVVDTINDVPFAFVTEYTDHPAIACLGSQKAGWQIKVDKYFAMGSGPARALALKPKKTYERIEYEDDADVAVIALEANQLPDEKVMEFIAKECDVDPENVYALVAPTASIVGSVQISGRIVETAIFKMNEIGYDPKLIVSGAGRCPISPILENDLKAMGSTNDSMMYYGSVFLTVKKYDEILKNVPSCTSRDYGKPFYEIFKAANYDFYKIDPNLFAPAQIAVNDLETGKTYVHGKLNAEVLFQSYQIVLEE +>1wq8.A +QVRPFLEVHERSACQARETLVPILQEYPDEISDIFRPSCVAVLRCSGCCTDESLKCTPVGKHTVDIQIMRVNPRTQSSKMEVMKFTEHTACECRPRRKQGEPDGPKEKPR +>1k8k.E +MPAYHSSLMDPDTKLIGNMALLPIRSQFKGPAPRETKDTDIVDEAIYYFKANVFFKNYEIKNEADRTLIYITLYISECLKKLQKCNSKSQGEKEMYTLGITNFPIPGEPGFPLNAIYAKPANKQEDEVMRAYLQQLRQETGLRLCEKVFDPQNDKPSKWWTCFVKRQFMNKSLSGPGQ +>2fef.B +MHAFPLTLDNRLAEALPLWRNLARTDRAPRRNIDLADWKADWRELIAALDRFSRSHGYRQPFAAQGHAALENAWAWGQAAENASTLLLKAIDRGLAGAELRSIYLETAALWLDYSRLLGAARDSLREQGEVDFETAPALAPRTGQYPFALQLLAMGVLLDAQELIPALVEEVLQFDTDRLLDYLGAAALGLTSASEETFHPRPFGQLRAFFEEADGSDAQALAPYLQSQYREFFQLSPKAQKKTRRLTGPYAWGWWAMEVSALGVLYGWDDGVLRASPHYLGDLVDYARARGDA +>1t7v.A +QENQDGRYSLTYIYTGLSKHVEDVPAFQALGSLNDLQFFRYNSKDRKSQPMGLWRQVEGMEDWKQDSQLQKAREDIFMETLKDIVEYYKDSTGSHVLQGRFGCEIENNRSSGAFWKYYYDGKDYIEFNKEIPAWVPFDPAAQITKQKWEAEPVYVQRAKAYLEEECPATLRKYLKYSKNILDRQDPPSVVVTSHQAPGEKKKLKCLAYDFYPGKIDVHWTRAGEVQEPELRGDVLHNGNGTYQSWVVVAVPPQDTAPYSCHVQHSSLAQPLVVPWEAS +>2y3w.A +GPHMTELLFNKRLQVLVKSKDTDERRSVIRVSIELQLPSSPVHRKDLVVRLTDDTDLYFLYNLIISEEDFQSLKVQQGLLIDFTSFPQKFIDLLEQCICEQDKENPRFLLQLSSSSSAFDHSPSNLNIVETNADKHLTHLSLKLLPGSDTDIKKYLASCLSSVKEEKQQLQQKLRKTEEDLT +>2fp1.A +DGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA +>1q8f.A +MEKRKIILDCDPGHDDAIAIMMAAKHPAIDLLGITIVAGNQTLDKTLINGLNVCQKLEINVPVYAGMPQPIMRQQIVADNIHGDTGLDGPVFEPLTRQAESTHAVKYIIDTLMASDGDITLVPVGPLSNIAVAMRMQPAILPKIREIVLMGGAYGTGNFTPSAEFNIFADPEAARVVFTSGVPLVMMGLDLTNQTVCTPDVIARMERAGGPAGELFSDIMNFTLKTQFENYGLAGGPVHDATCIGYLINPDGIKTQEMYVEVDVNSGPCYGRTVCDELGVLGKPANTKVGITIDTDWFWGLVEECVRGYIKTH +>4exo.A +AELVRDRQELIDARKKELKAYMMMGVTAIKPLYDSDVNGSNKQAAKEILKAMRFESDGYFFAYDSQGINTLHAIKPSLEGKNLYDLKDENGVAVIAGLIDASQKGDGFLYFSWHKPTINAQAPKLGYAEYLQKWDWVLGTGIYIDD +>3mcb.B +VNNISGIEEVNMFTNQGTVIHFNNPKVQASLAANTFTITGHAETKQLTEMLPSILNQL +>4myy.A +NSALEAKLLDEIKQSSNQELESSIDQILESIINGGGSGGGSMLNKFTKKEQILSEKQQIKQLSPLQRAALALKKLETKLNNTLHE +>1fd3.A +GIGDPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKP +>1lsl.A +QDGGWSHWSPWSSCSVTCGDGVITRIRLCNSPSPQMNGKPCEGEARETKACKKDACPINGGWGPWSPWDICSVTCGGGVQKRSRLCNNPTPQFGGKDCVGDVTENQICNKQDC +>3da8.A +VQEPLRVPPSAPARLVVLASGTGSLLRSLLDAAVGDYPARVVAVGVDRECRAAEIAAEASVPVFTVRLADHPSRDAWDVAITAATAAHEPDLVVSAGFMRILGPQFLSRFYGRTLNTHPALLPAFPGTHGVADALAYGVKVTGATVHLVDAGTDTGPILAQQPVPVLDGDDEETLHERIKVTERRLLVAAVAALATHGVTVVGRTATMGRKVTIG +>2hba.A +MKVIFLKDVKGMGKKGEIKNVADGYANNFLFKQGLAIEATPANLKALEAQKQ +>1m9z.A +ALCKFCDVRFSTCDNQKSCMSNCSITSICEKPQEVCVAVWRKNDENITLETVCHDPKLPYHDFILEDAASPTCIMKEKKKPGETFFMCSCSSDECNDNIIFSEEYNTSNPD +>3im3.A +SLRECELYVQKHNIQALLKDSIVQLCTARPERPMAFLREYFEKLEKEEAK +>3t7h.B +GSMSSERVLSYAPAFKSFLDTSFFQELSRLKLDVLKLDSTCQPLTVNLDLHNIPKSADQVPLFLTNRSFEKHNNKRTNEVPLQGSIFNFNVLDEFKNLDKQLFLHQRALECWEDGIKDINKCVSFVIISFADLKKYRFYYWLGVPCFQRPSSTVLHVRPEPSLKGLFSKCQKWFDVNYSKWVCILDADDEIVNYDKCIIRKTKVLAIRDTSTMENVPSALTKNFLSVLQYDVPDLIDFKLLIIRQNEGSFALNATFASIDPQSSSSNPDMKVSGWERNVQGKLADRVVDLS +>3shg.B +VLSEEEIEYRRRDARNALASQRLEGLEPDPQVVAQMERVVVGELETSDVIKDLMERIKREE +>2pq8.A +GSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHRTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVACILTLPPYQRRGYGKFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK +>3enu.A +TIEVPVLTFVPVQVSAELENRGCWVKFFDKKNFQGDSLFLSGPATLPRLIGPFGYDWENKVRSVKVGPRANLTIFDNHNYRDEDKFLDAGANVANLSKEMGFFDNFRSMVLNCI +>2v27.A +MAKGTKYVSKVPDEHGFIEWSTEENLIWQELFTRQIACIKDKACDEYHEGLAKLNLPTDRIPQLDEVSKVLKVSTGWECYPVPALIGFGEFFRLLSEKKFPVATFIRSREEMDYLQEPDIFHEIFGHCPLLTNSSFANYTEAYGKMGLNATKEQRVFLARLYWFTIEFGLLDTPKGLRIYGGGVLSSPGETDYAMNNTDVDRKPFDILDVLRTPYRIDIMQPIYYMLTKVSDLDEIRKFEVDDIMELVAQAEALGLHEAKFPVKKASLEHHHHHH +>1bgf.A +GGSQWNQVQQLEIKFLEQVDQFYDDNFPMEIRHLLAQWIETQDWEVASNNETMATILLQNLLIQLDEQLGRVSKEKNLLLIHNLKRIRKVLQGKFHGNPMHVAVVISNCLREERRILAAANMPI +>1ryl.A +MGMIGYFAEIDSEKINQLLESTEKPLMDNIHDTLSGLRRLDIDKRWDFLHFGLTGTSAFDPAKNDPLSRAVLGEHSLEDGIDGFLGLTWNQELAATIDRLESLDRNELRKQFSIKRLNEMEIYPGVTFSEELEGQLFASIMLDMEKLISAYRRMLRQGNHALTVIVG +>1nty.A +EEKRKSARRKEFIMAELIQTEKAYVRDLRECMDTYLWEMTSGVEEIPPGIVNKELIIFGNMQEIYEFHNNIFLKELEKYEQLPEDVGHCFVTWADKFQMYVTYCKNKPDSTQLILEHAGSYFDEIQQRHGLANSISSYLIKPVQRITKYQLLLKELLTCCEEGKGEIKDGLEVMLSVPKRANDAMHLSMLEGFDENIESQGELILQESFQVWDPKTLIRKGRERHLFLFEMSLVFSKEVKDSSGRSKYLYKSKLFTSELGVTEHVEGDPCKFALWVGRTPTSDNKIVLKASSIENKQDWIKHIREVIQERT +>3cla.A +MNYTKFDVKNWVRREHFEFYRHRLPCGFSLTSKIDITTLKKSLDDSAYKFYPVMIYLIAQAVNQFDELRMAIKDDELIVWDSVDPQFTVFHQETETFSALSCPYSSDIDQFMVNYLSVMERYKSDTKLFPQGVTPENHLNISALPWVNFDSFNLNVANFTDYFAPIITMAKYQQEGDRLLLPLSVQVHHAVCDGFHVARFINRLQELCNSKLK +>4fc2.B +NLPPEKKWLGTPIEEMRKMPRCGIHLPSLRPSASHTVTVRVDLLRAGEVPKPFPTHYKDLWDNKHVKMPCSEQNLYPVEDENGERTAGSRWELIQTALLNKFTRPQNLKDAILKYNVAYSKKWDFTALVDFWDKVLEEAEAQHLYQSILPDMVKIALCLPNICTQPIPLLKQKMNHSVTMSQEQIASLLANAFFCTFPRRNAKMKSEYSSYPDINFNRLFEGRSSRKPEKLKTLFCYFRRVTEKKPTGLVTFTRQSLEDFPEWERCEKPLTRLHVTYEGTIEGNGRGMLQVDFANRFVGGGVTGAGLVQEEIRFLINPELIVSRLFTEVLDHNECLIITGTEQYSEYTGYAETYRWARSHEDGSEKDDWQRRCTEIVAIDALHFRRYLDQFVPEKVRRELNKAYCGFLRPGVPSENLSAVATGNWGCGAFGGDARLKALIQILAAAAAERDVVYFTFGDSELMRDIYSMHTFLTERKLDVGKVYKLLLRYYNEECRNCSTPGPDIKLYPFIYHAVESSAET +>1j2l.A +GEECDCGSPSNPCCDAATCKLRPGAQCADGLCCDQCRFKKKRTICRIARGDFPDDRCTGQSADCPRWNGL +>1u6t.A +VIRVYIASSSGSTAIKKKQQDVLGFLEANKIGFEEKDIAANEENRKWMRENVPENSRPATGYPLPPQIFNESQYRGDYDAFFEARENNAVYAFLGLTAPPGSKEAEVQAKQQALEHHHHHH +>1oh9.A +MMNPLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGGCVVDELMKGLNLPVKKKNGLRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAVGLFLGDGDSVKVTQLDEELGHVGLAQPGSPKLINSLLENGYLPVVSSIGVTDEGQLMNVNADQAATALAATLGADLILLSDVSGILDGKGQRIAEMTAAKAEQLIEQGIITDGMIVKVNAALDAARTLGRPVDIASWRHAEQLPALFNGMPMGTRILA +>3m4r.A +SNAMQNRWAETKFDSDIDEVVYGSRLIGSDPDLVLHGGGNTSVKTTERDHAGRIISVLRVKNSGSNLGTIDSRGFTGIRMDDALAAAKIDKMTDEAMVDYLKKSMVNPSEPSPSVETFLHAFLPYKFVMHSHADAILSITNTDLPSDQIAKILGNVVVLPYIPPGFTLAKEVMNCFKKGIDGIVLRKHGLLTFGDTGKEAYDRHINIVSRAENFIREKTDGK +>5ij2.B +RRATDTTPPTITVPSDIIAYRGEEFEFYFEITDDSGQVKNIELSTFGKPLGLNWLEYSEDNFNVPGNATSDNPLRVRVHGTVPLNEPIPADKNRAQFTRTIRAWDAAGNVSSNITFVIKYRAQTDKYNPADPTITYVDRLSSLSPSEKNAVEAAVRAANPQIPAAARITVSANGTVTITYPDSSTDTITANRVVKDLASSR +>4ngd.A +SDQPCYLYVIGMVLTTPLPDELNFRRRKLYPPEDTTRCFGILTAKPIPQIPHFPVYTRSGEVTISIELAASGFMLSLQMLELITRLHQYIFSHILRLEKPALEFKPTDADSAYCVLPLNVVNDSSTLDIDFKFMEDIEKSEARIGIPSTKYTKETPFVFKLEDYQDAVIIPRYRNFDQPHRFYVADVYTDLTPLSKFPSPEYETFAEYYKTKYNLDLTNLNQPLLDVDHTSSRLNLLTPRHLNQKGKALPLSSAEKRKAKWESLQNKQILVPELCAIHPIPASLWRKAVCLPSILYRLHCLL +>3l32.A +MNLLFQSYLDNVGVQIVRQMRSGERFLKIWSQTVEEIVSYVTVNF +>5ce9.A +DPVSAPELTLCSEADLPAGALPVNCCPPTSKKIKDFVLPSQNTPLRVRPAAHLVDNDYIAKYNKGIELMKSLPADDPRSFTQQANVHCAYCDGAYTQVGFPDLSLQIHECWLFFPFHRYYVYFFEKILGKLIGDPTFALPFWNWDSPPGMQLPSLYAVSNSAIYDPLRNANHQPPTIIDLDYGETSESTTTTDQVPSNLKIMYRQMVSGAKNPTLFFGSPYRAGDEPDPGAGTIESTPHNNIHLWTGDDTQPNIENMGNFYSAGRDPIFFAHHSNVDRMWTIWKTLGGKRKDITDPDWLNSSFFFYDENADPVRVKVKDCVDNTKLRYVYQDVEIPWLK +>2wcu.A +MVALKGIPKVLSPELLFALARMGHGDEIVLADANFPTSSICQCGPVEIRADGLDIPQLLEAVLRLLPLDTYVESPAAVMDLVPSDKEKGLQTPIWKRYESLLLEADCKKTLMKLERFEFYERAKKAFAVVATGEMALYGNIILKKGTLD +>1fm4.A +GVFNYETEATSVIPAARMFKAFILDGDKLVPKVAPQAISSVENIEGNGGPGTIKKINFPEGFPFKYVKDRVDEVDHTNFKYNYSVIEGGPVGDTLEKISNEIKIVATPDGGCVLKISNKYHTKGNHEVKAEQVKASKEMGETLLRAVESYLLAHSDAYN +>5vap.A +ITLLTLIKTAEHWARQDIRTIEDSKLRALLTLCAVMTRKFSKSQLSLLCETHLRREGLGQDQAEPVLEVYQRLHSDKGGSFEAALWQQWDRQSLIMFITAFLNIALQLPCES +>2g7o.A +ESAFNQTEFNKLLLECVVKTQSSVAKILGIESLSPHVSGNSKFEYANMVEDIREKVSSEMERFFPKNDDE +>5jx1.A +LSNEDPKDALLRQFQKEIEELKKKLEELEKERDFYFGKLRNIELICQENEGENDPVLQRIVDILYATDEGFVIPD +>2pu9.A +NKTLAAMKNFAEQYAKRTDTYFCSDLSVTAVVIEGLARHKEELGSPLCPCRHYEDKEAEVKNTFWNCPCVPMRERKECHCMLFLTPDNDFAGDAQDIPMETLEEVKASMA +>1c96.A +RAKVAMSHFEPHEYIRYDLLEKNIDIVRKRLNRPLTLSEKIVYGHLDDPANQEIERGKTYLRLRPDRVAMQDATAQMAMLQFISSGLPKVAVPSTIHCDHLIEAQLGGEKDLRRAKDINQEVYNFLATAGAKYGVGFWRPGSGIIHQIILENYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYLSKTGRADIANLADEFKDHLVPDPGCHYDQVIEINLSELKPHINGPFTPDLAHPVAEVGSVAEKEGWPLDIRVGLIGSCTNSSYEDMGRSAAVAKQALAHGLKCKSQFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAGTLKFNPETDFLTGKDGKKFKLEAPDADELPRAEFDPGQDTYQHPPKDSSGQRVAVSPTSQRLQLLEPFDKWDGKDLEDLQILIKVKGKCTTDHISAAGPWLKFRGHLDNISNNLLIGAINIENRKANSVRNAVTQEFGPVPDTARYYKQHGIRWVVIGDENYGEGASREHSALEPRHLGGRAIITKSFARIHETNLKKQGLLPLTFADPADYNKIHPVDKLTIQGLKDFAPGKPLKCIIKHPNGTQETILLNHTFNETQIEWFRAGSALNRMKELQQK +>2eo4.A +CTFCSIINRELEGYFVYEDEKFAAILDKYPVSLGHTLVIPKKHFENYLEADEDTLAELAKVVKLVSLGIKDAVKADGLRLLTNIGRSAGQVIFHLHVHIIPTWEGDYPDIFKSFKPRKEQEKEYYELLQKIIRESIENLKRKIGDYKWG +>6odd.B +SRAQVLSLYRAMLRESKRFSAYNYRTYAVRRIRDAFRENKNVKDPVEIQTLVNKAKRDLGVIRRQVHIGQLYST +>1u6r.B +PFGNTHNKYKLNYKSEEEYPDLSKHNNHMAKVLTPDLYKKLRDKETPSGFTLDDVIQTGVDNPGHPFIMTVGCVAGDEESYTVFKDLFDPIIQDRHGGFKPTDKHKTDLNHENLKGGDDLDPHYVLSSRVRTGKSIKGYTLPPHCSRGERRAVEKLSVEALNSLTGEFKGKYYPLKSMTEQEQQQLIDDHFLFDKPVSPLLLASGMARDWPDARGIWHNDNKSFLVWVNEEDHLRVISMEKGGNMKEVFRRFCVGLQKIEEIFKKAGHPFMWNEHLGYVLTCPSNLGTGLRGGVHVKLAHLSKHPKFEEILTRLRLQKRGTGGVDTAAVGSVFDISNADRLGSSEVEQVQLVVDGVKLMVEMEKKLEKGQSIDDMIPAQK +>2z0x.A +MSLSPSARRVQGALETRGFGHLKVVELPASTRTAKEAAQAVGAEVGQIVKSLVFVGEKGAYLFLVSGKNRLDLGKATRLVGGPLRQATPEEVRELTGFAIGGVPPVGHNTPLPAYLDEDLLGYPEVWAAGGTPRALFRATPKELLALTGAQVADLKEG +>2v4b.B +FVSSHRYVETMLVADQSMAEFHGSGLKHYLLTLFSVAARLYKHPSIRNSVSLVVVKILVIHDEQKGPEVTSNAALTLRNFCNWQKQHNPPSDRDAEHYDTAILFTRQDLCGSQTCDTLGMADVGTVCDPSRSCSVIEDDGLQAAFTTAHELGHVFNMPHDDAKQCASLNGVNQDSHMMASMLSNLDHSQPWSPCSAYMITSFLDNGHGECLMDKPQNPIQLPGDLPGTSYDANRQCQFTFGEDSKHCPDAASTCSTLWCTGTSGGVLVCQTKHFPWADGTSCGEGKWCINGKCVNKLVPR +>2jft.A +GMASVLSAATATDQGPVRENNQDACLADGILYAVADGFGARGHHASATALKTLSAGFAAAPDRDGLLEAVQQANLRVFELLGDEPTVSGTTLTAVAVFEPGQGGPLVVNIGDSPLYRIRDGHMEQLTDDHSVAGELVRMGEITRHEARWHPQRHLLTRALGIGPHIGPDVFGIDCGPGDRLLISSDGLFAAADEALIVDAATSPDPQVAVRRLVEVANDAGGSDNTTVVVIDLG +>3hol.A +GVSKEEYKDVETAKKEKEQLGELMEPALGYVVKVPVSSFENKKVDISDIEVITNGNLDDVPYKANSSKYNYPDIKTKDSSLQYVRSGYVIDGEHSGSNEKGYVYYKGNSPAKELPVNQLLTYTGSWDFTSNANLNNEEGRPNYLNDDYYTKFIGKRVGLVSGDAKPAKHKYTSQFEVDFATKKMTGKLSDKEKTIYTVNADIRGNRFTGAATASDKNKGKGESYNFFSADSQSLEGGFYGPKAEEMAGKFVANDKSLFAVFSAKHNGSNVDTVRIIDASKIDLTNFSISELNNFGDASVLIIDGKKIKLAGSGFTNKHTIEINGKTMVAVACCSNLEYMKFGQLWQQAEGGKPENNSLFLQGERTATDKMPKGGNYKYIGTWDAQVSKENNWVATADDDRKAGYRTEFDVDFGNKNLSGKLFDKNGVNPVFTVDPKIDGNGFTGKAKTSDAGFALDSGSSRYENVKFNDVAVSGGFYGPTAAELGGQFHHKSENGSVGAVFGAKQQVKK +>3l9a.X +NKREETDMRDFFVITNSEYTFAGVHYAKGAVLHVSPTQKRAFWVIADQENFIKQVNKNIEYVEKNASPAFLQRIVEIYQVKFEGKNVH +>1vbw.A +SRCQGKSSWPQLVGSTGAAAKAVIERENPRVRAVIIKVGSGATKDFRCDRVRVWVTERGIVARPPTIG +>4ljo.A +GPGPEYQAQGLAMYLQENGIDCPKCKFSYALARGGCMHFHCTQCRHQFCSGCYNAFYAKNKCPEPNCRVKKSLHGHHPRDCLFYLRDWTALRLQKLLQDNNVMFNTEPPAGARAVPGGGCRVIEQKEVPNGLRDEACGKETPAGYAGLCQAHYKEYLVSLINAHSLDPATLYEVEELETATERYLHVRPQPLAGEDPPAYQARLLQKLTEEVPLGQSIPRRRK +>1tag.A +ARTVKLLLLGAGESGKSTIVKQMKIIHQDGYSLEECLEFIAIIYGNTLQSILAIVRAMTTLNIQYGDSARQDDARKLMHMADTIEEGTMPKEMSDIIQRLWKDSGIQACFDRASEYQLNDSAGYYLSDLERLVTPGYVPTEQDVLRSRVKTTGIIETQFSFKDLNFRMFDVGGQRSERKKWIHCFEGVTCIIFIAALSAYDMVLVEDDEVNRMHESLHLFNSICNHRYFATTSIVLFLNKKDVFSEKIKKAHLSICFPDYNGPNTYEDAGNYIKVQFLELNMRRDVKEIYSHMTCATDTQNVKFVFDAVTDIIIKENLKDCGLF +>4xb6.H +MANLSGYNFAYLDEQTKRMIRRAILKAVAIPGYQVPFGGREMPMPYGWGTGGIQLTASVIGESDVLKVIDQGADDTTNAVSIRNFFKRVTGVNTTERTDDATVIQTRHRIPETPLTEDQIIIFQVPIPEPLRFIEPRETETRTMHALEEYGVMQVKLYEDIARFGHIATTYAYPVKVNGRYVMDPSPIPKFDNPKMDMMPALQLFGAGREKRIYAVPPFTRVESLDFDDHPFTVQQWDEPCAICGSTHSYLDEVVLDDAGNRMFVCSDTDYCRQQSEAKNQ +>3imk.A +GMDEKPAITKIISGGQTGADRAALDFAIKHHIPYGGWVPKGRLAEGGRVPETYQLQEMPTSDYSKRTEKNVLDSDGTLIISHGILKGGSALTEFFAEQYKKPCLHIDLDRISIEDAATLINSWTVSHHIQVLNIAGPRAGKDPEIYQATMDLLEVFLA +>2o7o.A +SRLNRESVIDAALELLNETGIDGLTTRKLAQKLGIEQPTLYWHVKNKRALLDALAVEILARHHDYSLPAAGESWQSFLRNNAMSFRRALLRYRDGAKVHLGTRPDEKQYDTVETQLRFMTENGFSLRDGLYAISAVSHFTLGAVLEQQEHTAALTDRPAAPDENLPPLLREALQIMDSDDGEQAFLHGLESLIRGFEVQLTALLQIV +>1tzw.A +MKTPRRRMRLAVFKALFQHEFRRDEDLEQILEEILDETYDKKAKEDARRYIRGIKENLSMIDDLISRYLEKWSLNRLSVVDRNVLRLATYELLFEKDIPIEVTIDEAIEIAKRYGTENSGKFVNGILDRIAKEHAPKEKFEL +>2yxn.A +MASSNLIKQLQERGLVAQVTDEEALAERLAQGPIALVCGFDPTADSLHLGHLVPLLCLKRFQQAGHKPVALVGGATGLIGDPSFKAAERKLNTEETVQEWVDKIRKQVAPFLDFDCGENSAIAANNYDWFGNMNVLTFLRDIGKHFSVNQMINKEAVKQRLNREDQGISFTEFSYNLLQGYDFACLNKQYGVVLCIGGSDQWGNITSGIDLTRRLHQNQVFGLTVPLITKADGTKFGKTEGGAVWLDPKKTSPYKFYQFWINTADADVYRFLKFFTFMSIEEINALEEEDKNSGKAPRAQYVLAEQVTRLVHGEEGLQAAKR +>2xol.B +GAMTIGRAKVYATLSKIFYHLFYDEAIPKDCREIIEKFGEIDFNLRSVLVRELRGSVLIKDMPQSLAEVYESVMKDFYERYGFQASELHADHIAVELAFMSKLVEREISLAQQMKEEELYKIRAAQHRFIKAHLQPLVKNLPSAPLLNFVRDFVREDAKYLYSSLVGEKNEGADNN +>2wpq.C +MKQIEDKIEEILSKIYHIENEIARIKKLIFDTNEKVDQNTADITTNTNSINQNTTDIATNTTNINNLSDSMKQIEDKIEEILSKIYHIENEIARIKKLI +>2hq4.A +DLYFQGGSGMQCEEKLEVFENGFKDEKFNVEVKFYGNDARKVLLAMIYELYLPEYGREYVYPFECAKEFWNIYLEGEEIQDEEFQLKPIKFTSEQVIKKLQEEIKKIKPPLEIKIEEAKIYKTKEGYLAVGNYFILDPRGRLFIFNKPSIANKILKYIWKW +>4y7s.A +NPYTIYPPVPKTASINGFADRIYDQIPKCAQECVKQSTSSTPCPYWDTGCLCVIPNFTGAVGNCVASKCRGADVTNFRKLAVGACAAAGVWDPYWIIPASVSSALDAAATA +>1coj.A +GVHKLEPKDHLKPQNLEGISNEQIEPHFEAHYKGYVAKYNEIQEKLADQNFADRSKANQNYSEYRELKVEETFNYMGVVLHELYFGMLTPGGKGEPSEALKKKIEEDIGGLDACTNELKAAAMAFRGWAILGLDIFSGRLVVNGLDAHNVYNLTGLIPLIVIDTYEHAYYVDYKNKRPPYIDAFFKNINWDVVNERFEKAMKAYEALKDFIK +>1kgq.A +MQQLQNVIESAFERRADITPANVDTVTREAVNQVIGLLDSGALRVAEKIDGQWVTHQWLKKAVLLSFRINDNKVMDGAETRYYDKVPMKFADYDEARFQKEGFRVVPPATVRQGAFIARNTVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEVVEGVIVEEGSVISMGVYLGQSTRIYDRETGEIHYGRVPAGSVVVSGNLPSKDGSYSLYCAVIVKKVDAKTRGKVGINELLRTID +>6gfx.C +MEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD +>2gwm.A +ESKQIQALRYYSAQGYSVINKYLRGDDYPETQAKETLLSRDYLSTNEPSDEEFKNAMSVYINDIAEGLSSLPETDHRVVYRGLKLDKPALSDVLKEYTTIGNIIIDKAFMSTSPDKAWINDTILNIYLEKGHKGRILGDVAHFKGEAEMLFPPNTKLKIESIVNCGSQDFASQLSKLRLSDDATADTNRIKRIINMRVLN +>5dpo.A +MMSREKAAGTFFKDYQKKNVMRLLQDSLEKIINEWLKTDDESHTKLKSLQELSEMDINATSFAEHSPLPDFVTRLWLDPHKALDAMDKNISKNEIRKLIKETAREIELVFTHQKAPDYS +>1dvo.A +PPKWKVKKQKLAEKAAREAELTAKKAQARQALSIYLNLPTLDEAVNTLKPWWPGLFDGDTPRLLACGIRDVLLEDVAQRNIPLSHKKLRRAMKAITRSESYLCAMKAGACRYDTEGYVTEHISQEEEVYAAERLDKIRRQNRIKAELQAVLD +>2fe5.A +SMTIMEVNLLKGPKGLGFSIAGGIGNQHIPGDNSIYITKIIEGGAAQKDGRLQIGDRLLAVNNTNLQDVRHEEAVASLKNTSDMVYLKVAKPGS +>1vr8.A +MGSDKIHHHHHHPPEAYSLDTAIFVLETRDYRLSDVKEIDSYGDVEMKGKVAVFETEYGPVFLYVYKGEEAKKIWKKLNGRAGFVSIRSVLDLPNMGKFSTVSNGKKIVAWWRKNWLFIVEGKNGVEEFVKHVYRVYEEMKQ +>1rrm.A +MMANRMILNETAWFGRGAVGALTDEVKRRGYQKALIVTDKTLVQCGVVAKVTDKMDAAGLAWAIYDGVVPNPTITVVKEGLGVFQNSGADYLIAIGGGSPQDTCKAIGIISNNPEFADVRSLEGLSPTNKPSVPILAIPTTAGTAAEVTINYVITDEEKRRKFVCVDPHDIPQVAFIDADMMDGMPPALKAATGVDALTHAIEGYITRGAWALTDALHIKAIEIIAGALRGSVAGDKDAGEEMALGQYVAGMGFSNVGLGLVHGMAHPLGAFYNTPHGVANAILLPHVMRYNADFTGEKYRDIARVMGVKVEGMSLEEARNAAVEAVFALNRDVGIPPHLRDVGVRKEDIPALAQAALDDVCTGGNPREATLEDIVELYHTAWEGG +>3a39.A +AAPANAVTADDPTAIALKYNQDATKSERVAAARPGLPPEEQHCANCQFMQANVGEGDWKGCQLFPGKLINVNGWCASWTLKAG +>2p9x.D +MSKGRDILTKTIILALREVAPGLEAVLEAHLRATLNSGIELAYDDPQKFKEAVSKLFGEYSARLLEMVIISKLKGRLGEDIEANSLEELVSEIRKIYGE +>2dka.A +MSIEQTLSQYLPSHPKPQGVTFTYGTAGFRMKADKLDYVTFTVGIIASLRSKYLQGKTVGVMITASHNPPEDNGVKVVDPLGSMLESSWEKYATDLANASPSPSNDSEGEKNSLVEVIKNLVSDLKIDLSIPANVVIARDSRESSPALSMATIDGFQSVPNTKYQDFGLFTTPELHYVTRTLNDPDFGKPTEDGYYSKLAKSFQEIYTICESNNEKIDITIDAANGVGAPKIQELLEKYLHKEISFTVVNGDYKQPNLLNFDCGADYVKTNQKLPKNVKPVNNKLYASFDGDADRLICYYQNNDNKFKLLDGDKLSTLFALFLQQLFKQIDPTKISLNIGVVQTAYANGSSTKYVEDVLKIPVRCTPTGVKHLHHEAENFDIGVYFEANGHGTVIFNPEAEKKIFDYKPNNDNEAKAIKVLQNFSQLINQTVGDAISDLLAVLIVVHYLKLSPSDWDNEYTDLPNKLVKVIVPDRSIFKTTNAERTLVEPKGMQDEIDKLVAQYPNGRSFVRASGTEDAVRVYAEADTQNNVEELSKAVSELVK +>5ert.A +MSPFPLTSMDKAFITVLEMTPVLGTEIINYRDGMGRVLAQDVYAKDNLPPFPASVKDGYAVRAADGPGDRFIIGESQAGEQPTQTVMPGQVMRVTTGAPIPCGADAVVQVEDTELIRESDDGTEELEVRILVQARPGQDIRPIGHDIKRGECVLAKGTHMGPSEIGLLATVGVTEVEVNKFPVVAVMSTGNELLNPEDDLLPGKIRDSNRSTLLATIQEHGYPTINLGIVGDNPDDLLNALNEGISRADVIITSGGVSMGEKDYLKQVLDIDLHAQIHFGRVFMKPGLPTTFATLDIDGVRKIIFALPGNPVSAVVTCNLFVVPALRKMQGILDPRPTIIKARLSCDVKLDPRPEYHRCILTWHHQEPLPWAQSTGNQMSSRLMSMRSANGLLMLPPKTEQYVELHKGEVVDVMVIGRL +>3it4.C +VTDLAGTTRLLRAQGVTAPAGFRAAGVAAGIKASGALDLALVFNEGPDYAAAGVFTRNQVKAAPVLWTQQVLTTGRLRAVILNSGGANACTGPAGFADTHATAEAVAAALSDWGTETGAIEVAVCSTGLIGDRLPMDKLLAGVAHVVHEMHGGLVGGDEAAHAIMTTDNVPKQVALHHHDNWTVGGMAKGAGMLAPSLA +>3bhg.A +SNAMTLTALNAISPIDGRYVNKTRALSPYFSEFALTYYRLMVEIKWFESLAANDTIPEVPALDNKARKFLSDLISNFNESEAEKIKEFEKQTNHDVKAVEYYLQDKFQENEQLKSCVAFIHFACTSEDINNLAYALMIKQAIAQVIQPTIAEIMGSITLLGKQHADVAMLSRTHGQPATPTTMGKELVNFVARLKRPQQQLAEVLIPAKFNGAVGNYNAHVAAYPEVDWRKHCANFVTSLGLSFNAYTTQIEPHDGIAEVSQIMVRINNILLDYTQDIWSYISLGYFKQKTIAEEVGSSTMPHKVNPIDFENAEGNLGLSNALFIHFANKLTQSRMQRDLSDSTVLRNLGVAFSYSLIAYHSVAKGNDKLQINKSALQKDLSENWEVLAEAIQTVMRRYNEPNAYEQLKELTRGQMIDAENLKKFIKTLSIPEEAKAELMKLTPETYTGLATQLVKAFS +>1m8s.A +SLVQFETLIMKVAKKSGMQWYSNYGCYCGWGGQGRPQDATDRCCFVHDCCYGKVTGCDPKMDVYSFSEENGDIVCGGDDPCKKEICECDRAAAICFRDNLNTYNDKKYWAFGAKNCPQEESEPC +>3rlk.A +GHHHHHHSKPDPVIPDPPIDPPPGTGKYTCPFAIWSLEEVYEPPTKNRPWPIYNAVELQPREFDVALKDLLGNTKWRDWDSRLSYTTFRGCRGNGYIDLDATYLATDQAMRDQKYDIREGKKPGAFGNIERFIYLKSINAYCSLSDIAAYHADGVIVGFWRDPSSGGAIPFDFTKFDKTKCPIQAVIVVPRA +>2dt8.A +MRITLVTDSTSDLPQDLRGRLGVRVVPLYVNLSGAIYRDWEEITPTEIFQKVREGAAFPTTSQPSPEDFARVYREALEEADHVLSLHISGKLSGTVQSAELAAQEFPGRVTVVDTQAASLGVGMMVLRAKELLEEGQSLEAVLAELERLRRDHFVRFSVATLEFLKRGGRIGGAQAFLGTLLNLKPVLTLKEGRVEAAGRARGEKKAREEILKAFRAWAEGRKRIRAYFLYSGDEDAVAALRQEVLASGLPVEEALVNELGAVIASHTGPGTYGFYAYSL +>6p5x.B +MDHLPIFCQLRDRDCLIVGGGDVAERKARLLLEAGARLTVNALTFIPQFTVWANEGMLTLVEGPFDETLLDSCWLAIAATDDDTVNQRVSDAAESRRIFCNVVDAPKAASFIMPSIIDRSPLMVAVSAGGTSPVLARLLREKLESLLPQHLGQVARYAGQLRARVKKQFATMGERRRFWEKFFVNDRLAQSLANADEKAVNATTERLFSEPLDHRGEVVLVGAGPGDAGLLTLKGLQQIQQADIVVYDRLVSDDIMNLVRRDADRVFVGKRAGYHCVPQEEINQILLREAQKGKRVVRLKGGDPFIFGRGGEELETLCHAGIPFSVVPGITAASGCSAYSGIPLTHRDYAQSVRLVTGHLKTGGELDWENLAAEKQTLVFYMGLNQAATIQEKLIAFGMQADMPVALVENGTSVKQRVVHGVLTQLGELAQQVESPALIIVGRVVALRDKLNWFSNH +>1jnr.C +MVYYPKKYELYKADEVPTEVVETDILIIGGGFSGCGAAYEAAYWAKLGGLKVTLVEKAAVERSGAVAQGLSAINTYIDLTGRSERQNTLEDYVRYVTLDMMGLAREDLVADYARHVDGTVHLFEKWGLPIWKTPDGKYVREGQWQIMIHGESYKPIIAEAAKMAVGEENIYERVFIFELLKDNNDPNAVAGAVGFSVREPKFYVFKAKAVILATGGATLLFRPRSTGEAAGRTWYAIFDTGSGYYMGLKAGAMLTQFEHRFIPFRFKDGYGPVGAWFLFFKCKAKNAYGEEYIKTRAAELEKYKPYGAAQPIPTPLRNHQVMLEIMDGNQPIYMHTEEALAELAGGDKKKLKHIYEEAFEDFLDMTVSQALLWACQNIDPQEQPSEAAPAEPYIMGSHSGEAGFWVCGPEDLMPEEYAKLFPLKYNRMTTVKGLFAIGDCAGANPHKFSSGSFTEGRIAAKAAVRFILEQKPNPEIDDAVVEELKKKAYAPMERFMQYKDLSTADDVNPEYILPWQGLVRLQKIMDEYAAGIATIYKTNEKMLQRALELLAFLKEDLEKLAARDLHELMRAWELVHRVWTAEAHVRHMLFRKETRWPGYYYRTDYPELNDEEWKCFVCSKYDAEKDEWTFEKVPYVQVIEWSF +>3u5v.A +MGADKRAHHNALERKRRRDINEAFRELGRMCQMHLKSDKAQTKLLILQQAVQVILGLEQQVRERNLNPLNHHHHHH +>3ipj.A +SNANKYNKIANELIKIIGEDNIISITHCATRLRVMVKDREIINDKKVEKVDEVKGVFFTSGQYQIILGTGIVNKVYAEVEKMGLKTLSKKEQDEL +>3zrg.B +GPALNTEKMKTMLKAGMTVDDYAAKLKLTDKIAAAANSARAMEKLGETLKMKKLLRYLNYVAEHTAV +>1hye.A +MKVTIIGASGRVGSATALLLAKEPFMKDLVLIGREHSINKLEGLREDIYDALAGTRSDANIYVESDENLRIIDESDVVIITSGVPRKEGMSRMDLAKTNAKIVGKYAKKIAEICDTKIFVITNPVDVMTYKALVDSKFERNQVFGLGTHLDSLRFKVAIAKFFGVHIDEVRTRIIGEHGDSMVPLLSATSIGGIPIQKFERFKELPIDEIIEDVKTKGEQIIRLKGGSEFGPAAAILNVVRCIVNNEKRLLTLSAYVDGEFDGIRDVCIGVPVKIGRDGIEEVVSIELDKDEIIAFRKSAEIIKKYCEEVKNL +>3lyf.D +MDNYQELAIQFAAQAVDRNEIEQWVREFAYQGFDARRVIELLKQYGGADWEKDAKKMIVLALTRGNKPRRMMMKMSKEGKATVEALINKYKLKEGNPSRDELTLSRVAAALAGRTCQALVVLSEWLPVTGTTMDGLSPAYPRHMMHPSFAGMVDPSLPGDYLRAILDAHSLYLLQFSRVINPNLRGRTKEEVAATFTQPMNAAVNSNFISHEKRREFLKAFGLVDSNGKPSAAVMAAAQAYKTAA +>2rkv.A +MAFKIQLDTLGQLPGLLSIYTQISLLYPVSDSSQYPTIVSTFEQGLKRFSEAVPWVAGQVKAEGISEGNTGTSFIVPFEDVPRVVVKDLRDDPSAPTIEGMRKAGYPMAMFDENIIAPRKTLPIGPGTGPDDPKPVILLQLNFIKGGLILTVNGQHGAMDMVGQDAVIRLLSKACRNDPFTEEEMTAMNLDRKTIVPYLENYTIGPEVDHQIVKADVAGGDAVLTPVSASWAFFTFSPKAMSELKDAATKTLDASTKFVSTDDALSAFIWKSASRVRLERIDGSAPTEFCRAVDARPAMGVSNNYPGLLQNMTYHNSTIGEIANESLGATASRLRSELDPASMRQRTRGLATYLHNNPDKSNVSLTADADPSTSVMLSSWAKVGLWDYDFGLGLGKPETVRRPIFEPVESLMYFMPKKPDGEFCAALSLRDEDMDRLKADKEWTKYAQYVG +>2yjg.A +MANIEIPYGKSKLAFDLPDERIQGILRSKAGSYKVNMSEEDIVKRALENPIGTKRLQDLAEGKKNIVIITSDHTRPVPSRITLPLLLDEIRKKNKSANVKILIATGFHRGTTLQEMKAKFGEDLVENEQFVVHDSRNSENMELIGTLPSGGKLEINKLAVEADLLVAEGFIEPHFFAGFSGGRKSILPGIASVQCILANHCSEFIKNPYARTGVLENNPIHRDMIYAAKKANLAFILNVVIDSSHKIVNAFAGHSEKAHLKGCEFVSEIATVNAKPADIVITSNGGYPLDQNIYQSVKGMTAGEAACKDGGVIIIAAECADGHGGEGFYRWFKESKDPQDVMNKILSRGRDETLPDQWEAQILARILINHKVIMVTDSKNYEYVKDMFMTPAKDLGEALKIAESIVNNDSKINVIPDGVSVIVREKASWSHPQFEK +>3g98.B +MKEENVGDFTLHYGVFEEVEPEELRNLADMLRQRTKKDVVFIASRKGDKINFVIGVSKEISDKVNAKEVIREVGKVLKGGGGGRADLAQGGGKAPDKFPEAVKLLKEILSG +>2pyq.B +GMGKRDDLIAQYADDLRNKCGMEPDMALLEKVTKGCGPAIYNRDASTVAGSDTAELETIKKNFLMKKLGLADSESLMGGIQSVIETYGRSERNKYRAVVYYMLTKHFGKESVYG +>4hwx.A +GSAHGPSAMVFTVIQGSGEPTDTVLRATTLSCAYTAEGTHPAPRAACDALNATDGELNRLLAAPDPSLVCPMYFDPVTVTADGVLNGRRVAWKHTFSNTCVMSANLNSNPVYAF +>3a1u.A +GPLHMVKVALAGCPNVGKTSLFNALTGTKQYVANWPGVTVEKKEGVFTYKGYTINLIDLPGTYSLGYSSIDEKIARDYLLKGDADLVILVADSVNPEQSLYLLLEILEMEKKVILAMTAIDEAKKTGMKIDRYELQKHLGIPVVFTSSVTGEGLEELKEKIVEYAQKNTILHRMILDYGEKVESEIKKVENFLRDKKLRINPRYFALKYLSGDPEFYSEGVKLGLPELSEEERIGYRLLIAKRKREYVENVVKEAFAD +>3ush.B +MSQNVLGGVLRACSMDPETGFYRDGHCRTGPRDTGSHVVCAEMTEAFLEYTKRQGNDLMTPRPEMDFPGLEPGDRWCLCAARWREAMEAGVAPPVVLAATSEAALKAVDLEVLKAHAVDAPLEHHHHHH +>3st1.A +SIAGTVMDHDKIAKLPASGSPLETKFQPQLHIGNGCHSYPAVDAQGNWSGGLKPTGAPSAACKDTSKAQTYVRSATFQGKTALVYAWYMPKDEISTGIGHRHDWEGAVVFLNSDTQQIDGVAASAHGKWRKYPNPGGANIDDTHVKLQYSAEPVINSHALDLTDKGGDLPTLASWEGMGADARAAINERSHWGDANPPIADSLIGSSLSGAWMW +>3o79.A +GGYMLGSAMSRPLIHFGNDYEDRYYRENMYRYPNQVYYRPVDQYSNQNSFVHDCVNITVKQHTVTTTTKGENFTETDIKIMERVVEQMCITQYQQESQAAYQRAA +>5bnh.A +GSVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMTFWGKEENRKAVSDQLKKHGFKLGPAP +>1llf.B +APTAKLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLNGQKFTSYGPSCMQQNPEGTFEENLGKTALDLVMQSKVFQAVLPQSEDCLTINVVRPPGTKAGANLPVMLWIFGGGFEIGSPTIFPPAQMVTKSVLMGKPIIHVAVNYRVASWGFLAGDDIKAEGSGNAGLKDQRLGMQWVADNIAGFGGDPSKVTIFGESAGSMSVLCHLIWNDGDNTYKGKPLFRAGIMQSGAMVPSDPVDGTYGNEIYDLFVSSAGCGSASDKLACLRSASSDTLLDATNNTPGFLAYSSLRLSYLPRPDGKNITDDMYKLVRDGKYASVPVIIGDQNDEGTIFGLSSLNVTTNAQARAYFKQSFIHASDAEIDTLMAAYPQDITQGSPFDTGIFNAITPQFKRISAVLGDLAFIHARRYFLNHFQGGTKYSFLSKQLSGLPIMGTFHANDIVWQDYLLGSGSVIYNNAFIAFATDLDPNTAGLLVNWPKYTSSSQSGNNLMMINALGLYTGKDNFRTAGYDALMTNPSSFFV +>6tgk.C +LDFQALEETTEYDGGYTRDSVLIREFWEIVHSFTDEQKRLFLQFTTGTDRAPVGGLGKLKMIIAKNGPDTERLPTSHTCFNVLLLPEYSSKEKLKERLLKAITYA +>2bjq.A 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+ACTKNAIAQTGFNKDKYFNGDVWYVTDYLDLEPDDVPKRYCAALAAGTASGKLKEALYHYDPKTQDTFYDVSELQVESLGKYTANFKKVDKNGNVKVAVTAGNYYTFTVMYADDSSALIHTCLHKGNKDLGDLYAVLNRNKDAAAGDKVKSAVSAATLEFSKFISTKENNCAYDNDSLKSLLTK +>2qia.A +MIDKSAFVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR +>4iaj.B +GGVLNMIEITYIDASKNERTVTFESYEDFERSQQACLIGVADYYPVQKLTYKGHNLDYHGTYGDIFFYLMKQDLSQYN +>2hu9.A +MMRCPECSTEGWRVLPLTVGAHVKEGLWSKIKGDFYFCSLESCEVVYFNEQTVFRKGELKTRVGVKEREEPKPVCYCNRVTEKMLLEAAEKFGKEKAVEITGAGKGKWCVVTNPSGRCCHWHLERLGFPV +>2e6x.A +MEKDLLDKLGQHLVWRMGRAEDEDVLVVRVGLASATPRFRELPRLLNLPEAEMRRLVQEGRVRVEWVEE +>6a02.A +MAATNMTDNVTLNNDKISGQAWQAMRDIGMSRFELFNGRTQKAEQLAAQAEKLLNDDSTDWNLYVKSDKKAPVEGDHYIRINSSITVAEDYLPAGQKNDAINKANQKMKEGDKKGTIEALKLAGVSVIENQELIPLQQTRKDVTTALSLMNEGKYYQAGLLLKSAQDGIVVDSQSVQLEHHHHHH +>2yvq.A +GSSGSSGHTAFLKAMLSTGFKIPQKGILIGIQQSFRPRFLGVAEQLHNEGFKLFATEATSDWLNANNVPATPVAWPSQEGQNPSLSSIRKLIRDGSIDLVINLPNNNTKFVHDNYVIRRTAVDSGIPLLTNFQVTKLFAEAVQ +>3ju3.A +SNAEKAVLIGEKEADITFVTWGSQKGPILDVIEDLKEEGISANLLYLKMFSPFPTEFVKNVLSSANLVIDVESNYTAQAAQMIKLYTGIDIKNKILKYNGRHMTEDEILKSAKEILNK +>4alz.A +NQDGQLVEQEVRRLLATAAYKDVVLTSPKEGEPWLLTGYIQDNHARLSLQNFLESHGIPFRLELRSMEELRQGAEFILQRLGYHGIEVSLAPQAGWLQLNGEVSEEIQKQKIDSLLQAEVPGLLGVENKVRIAPNQRKRLDALLEQFGLDSDFTVNVKGELIELRGQVNDEKLSSFNQLQQTFRQEFGNRPKLELVNV +>4dja.A +MSQLVLILGDQLSPSIAALDGVDKKQDTIVLCEVMAEASYVGHHKKKIAFIFSAMRHFAEELRGEGYRVRYTRIDDADNAGSFTGEVKRAIDDLTPSRICVTEPGEWRVRSEMDGFAGAFGIQVDIRSDRRFLSSHGEFRNWAAGRKSLTMEYFYREMRRKTGLLMNGEQPVGGRWNFDAENRQPARPDLLRPKHPVFAPDKITKEVIDTVERLFPDNFGKLENFGFAVTRTDAERALSAFIDDFLCNFGATQDAMLQDDPNLNHSLLSFYINCGLLDALDVCKAAERAYHEGGAPLNAVEGFIRQIIGWREYMRGIYWLAGPDYVDSNFFENDRSLPVFYWTGKTHMNCMAKVITETIENAYAHHIQRLMITGNFALLAGIDPKAVHRWYLEVYADAYEWVELPNVIGMSQFADGGFLGTKPYAASGNYINRMSDYCDTCRYDPKERLGDNACPFNALYWDFLARNREKLKSNHRLAQPYATWARMSEDVRHDLRAKAAAFLRKLDAAALEHHHHHH +>3ic3.B +SNAMTGPKQQPLPPDVEGREDAIEVLRAFVLDGGLSIAFMRAFEDPEMWGLLLVDIARHAARSYARESEYTEDEALERIVEMFEAELSRPTDTGATTERTQ +>4qxo.A +SVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFRDMLPQQNIDRAGIKNRVYSNSVYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEV +>1r9f.A +GSHMTSPFKLPDESPSWTEWRLHNDETNSNQDNPLGFKESWGFGKVVFKRYLRYDRTEASLHRVLGSWTGDSVNYAASRFFGFDQIGCTYSIRFRGVSITVSGGSRTLQHLCEMAIRSKQEMLQMAPIEVESNVSR +>2yzt.A +MRRRYRVVVERDEEGYFVAHVPELHAHTQAQSFEELLRRLQEAIAVSLEEERAEVVGLEGALEIEAA +>3dff.A +MPHDPGATRLLAISPHLDDAVLSFGAGLAQAAQDGANVLVYTVFAGAAQPPYSPAAQRMHTIWGLAPDDDAVLYRRKEDIAALDHLRVAHRHGRFLDSIYRKLPDGRWLTAHVEGRQKLAVNDHSPDSDHDLVGEVADDIRSIIDEFDPTLVVTCAAIGEHPDHEATRDAALFATHEKNVPVRLWEDLPYAVFKSGAVELPQGFRLGSADVSSVKPEMRSQKFQAVERYSSQMVLLNGSENNLFDRLDEHARQNAPHGGYGETTWPVVRSDDS +>1wd5.A +MRFRDRRHAGALLAEALAPLGLEAPVVLGLPRGGVVVADEVARRLGGELDVVLVRKVGAPGNPEFALGAVGEGGELVLMPYALRYADQSYLEREAARQRDVLRKRAERYRRVRPKAARKGRDVVLVDDGVATGASMEAALSVVFQEGPRRVVVAVPVASPEAVERLKARAEVVALSVPQDFAAVGAYYLDFGEVTDEDVEAILLEWAG +>3e9v.A +DMLPEIAAAVGFLSSLLRTRGCVSEQRLKVFSGALQEALTEHYKHHWFPEKPSKGSGYRCIRINHKMDPIISRVASQIGLSQPQLHQLLPSELTLWVDPYEVSYRIGEDGSICVLYEEAP +>1s9u.A +SDAMTTFLQRDEFAVTARVLGALFYYSPESHETAPLVQALLNDDWQAQWPLDAEALAPVAAMFKTHSEESLPQAWQRLFIGPYALPSPPWGSVWLDRESVLFGDSTLALRQWMRENGIQFEMQQNEPEDHFGSLLLLAAWLAENDRHHECEQLLAWHLFPWSSRFLDVFIDHAGHPFYQALGQLARLTLAQWQAQLIIPVAVKPLFR +>1wui.L +SSYSGPIVVDPVTRIEGHLRIEVEVENGKVKNAYSSSTLFRGLEIILKGRDPRDAQHFTQRTCGVCTYTHALASTRCVDNAVGVHIPKNATYIRNLVLGAQYLHDHIVHFYHLHALDFVDVTAALKADPAKAAKVASSISPRKTTAADLKAVQDKLKTFVETGQLGPFTNAYFLGGHPAYYLDPETNLIATAHYLEALRLQVKAARAMAVFGAKNPHTQFTVVGGVTCYDALTPQRIAEFEALWKETKAFVDEVYIPDLLVVAAAYKDWTQYGGTDNFITFGEFPKDEYDLNSRFFKPGVVFKRDFKNIKPFDKMQIEEHVRHSWYEGAEARHPWKGQTQPKYTDLHGDDRYSWMKAPRYMGEPMETGPLAQVLIAYSQGHPKVKAVTDAVLAKLGVGPEALFSTLGRTAARGIETAVIAEYVGVMLQEYKDNIAKGDNVICAPWEMPKQAEGVGFVNAPRGGLSHWIRIEDGKIGNFQLVVPSTWTLGPRCDKNKLSPVEASLIGTPVADAKRPVEILRTVHSFDPCIACGVH +>2ozl.A +MRGSFANDATFEIKKCDLHRLEEGPPVTTVLTREDGLKYYRMMQTVRRMELKADQLYKQKIIRGFCHLCDGQEACCVGLEAGINPTDHLITAYRAHGFTFTRGLSVREILAELTGRKGGCAKGKGGSMHMYAKNFYGGNGIVGAQVPLGAGIALACKYNGKDEVCLTLYGDGAANQGQIFEAYNMAALWKLPCIFICENNRYGMGTSVERAAASTDYYKRGDFIPGLRVDGMDILCVREATRFAAAYCRSGKGPILMELQTYRYHGHEMSDPGVSYRTREEIQEVRSKSDPIMLLKDRMVNSNLASVEELKEIDVEVRKEIEDAAQFATADPEPPLEELGYHIYSSDPPFEVRGANQWIKFKSVS +>5wvo.C +PKCIQCGQYLDDPDLKYGQHPPDAVDEPQMLTNEKLSIFDANESGFESYEALPQHKLTCFSVYCKHGHLCPIDTGLIEKNIELFFSGSAKPIYDDDPSLEGGVNGKNLGPINEWWITGFDGGEKALIGFSTSFAEYILMDPSPEYAPIFGLMQEKIYISKIVVEFLQSNSDSTYEDLINKIETTVPPSGLNLNRFTEDSLLRHAQFVVEQVESYDEAGDSDEQPIFLTPCMRDLIKLAGVTLGQRRAQAR +>4qbu.A +AMEATSNSRPYQMLMISAKSKDALDRMTLNLGNHLEQNPHVNLADASYTLQIGRKEFKHRRALVCSSTQEGIEQLNQPDGRRVQYANVKEEHPKIHFLFSGNGSQYVNMGLELYEQEAIFREAMDECFAILQSFTNVNMKEVLYPTTFSINEATEKLKRMEFSQPILFAFEYAVAKLLMGWGIKPEAMIGYSFGEYVAACLAEVFTLEDALKLVVKRGQLMSSLPAGVMLSVPLPEEELIHLINSFEKEYQHTISLAVVNGPACIVSGTEEAIVDFENELKKQRLMCMRVTIEGAAHSHELDSILDEYASYVSTLTLREPKIPYLSNLTGTWIRPEEATNPVYWVKHMRGTVRFSDGIQELNRDNTSLFIEIGPGNDLSRLTSRLLDYENGNERIFNTVRSVQQDVSDMYFLFSHITRMWVTGISVDWEQFYKDEKRRRIPLPM +>5n0n.A +GTSTQTKAGSLTIVGTGIESIGQMTLQALSYIEAAAKVFYCVIDPATEAFILTKNKNCVDLFQYYDNGKSRLNTYTQMSELMVREVRKGLDVVGVFYGHPGVFVNPSHRALAIAKSEGYRARMLPGVSAEDCLFADLCIDPSNPGCLTYEASDFLIRDRPVSIHSHLVLFQVGCVGIADFNFTGFDNNKFGVLVDRLEQEYGAEHPVVHYIAAMMPHQDPVTDKYTVAQLREPEIAKRVGGVSTFYIPPKARKASNLDIIRRLELLPAGQVPDKKARIYPANQWEPDVPEVEPYRPSDQAAIAQLADHAPPEQYQPLATSKAMSDVMTKLALDPKALADYKADHRAFAQSVPDLTPQERAALELGDSWAIRCAMKNMPSSLLDAARESGEEASQNGFPWVIVVGVIGVIG +>2vmc.A +MSVPAGSVSCLANALLNLRSSTDYNADHGVKNSILNFSNSKDASRFDGSESWSSSVLDKNQFIVAGSDSVKHFVAISTQGRGDHDQWVTSYKLRYTLDNVNWVEYNNGEIINANKDRNSIVTINFNPPIKARSIAIHPQTYNNHISLRWELYALPVKSYSNPSVQVGEVSIGDRSLNSGTGSRTIVRHVKFPVEFLSVPIVSIGCKKVDAHTDNGQMRWEGKSENITTKGFDLTFITWGNNAVYDLTFDYVAVEFNN +>6c0h.A +SGMKSAKEPTIYQDVDIIRRIQELMVLCSLLPPDGKLREALELALALHEEPALARITPLTNLHPFATKAWLETLWLGEGVSSEEKELVAWQNKSENMGPAIRELKNAEQQSGITLVARLTS +>7dmn.A +GSHMSNVTVSAFTVDKSISEEHVLPSSFIPGSGNIFPKFTSAIPKTAWELWYFDGISKDDKSSIVIGVTRNAEGLKHGGFKVQVFVIWADERTWHRDLFFPESVVSINESGVTDGIWKDATSNSSISFSCAGDLSKASLVFDVPGVVQGDMHLEALPGDTGLDTDARLGPSVYYVRPIGRASVKAQLSLYSSDATAAEQFSLGTSANGGMDRVWSPLSWPQVMTESYYLRTQVGPYAMQIMRIFPPAGSEDQPSTMARLYREGQLVCVAQHVVTREDALMTHDSLILSKQDNSDSEDVVTGGYRDKNTGYTVEFVEKGNEGQRWKFQVRHERIIWNTPTSRPGPDATGNTGFVEVLCGGTIGESYEGVGTGGQCELS +>3gs9.A +GMNSDIIVADFWKNNEEILTDFDKDSFCESWTENEMWSIEFKVAQTPKNAHCYSFLDYESSVYFRGQEFVVKQLSHDAVGKTLSKDIRAPHIYYTCQDGRQDDAITGSFTLEQCLTHIFKTDNRGFSWEIIDPSNILEKVQQENFGNNNYLTLIDQLLDDYGVVVIPDNRHLVFKPREIYGAKTENFIRYKYNTDEASFDIDTLSLKTKIKGYGKVDSNGNNYFSPITYTSPEVEKWGIRWQEPVSDERYTVAGNMQRRLKLELQDYPATTGSVILKNDYECEKGDYVLFIYEPLGIDYDVQIVAYKKYPFTIKAPEITLSNNKKSIVSIMAQLAKVLKGAK +>4cbe.A +GAMGRLNQRNINELKIFVEKAKYYSIKLDAIYNECTGAYNDIMTYSEGTFSDQSKVNQAISIFKKDNKIVNKFKELEKIIEEYKPMFLSKLIDDFAIELDQAVDNDVSNARHVADSYKKLRKSVVLAYIESFDVISSKFVDSKFVEASKKFVNKAKEFVEENDLIALECIVKTIGDMVNDREINSRSRYNNFYKKEADFLGAAVELEGAYKAIKQTLL +>1z0b.A +DYKLFITEGYEVGRVNGLAVIGESAGIVLPIIAEVTPSMSKSEGRVIATGRLQEIAREAVMNVSAIIKKYTGRDISNMDVHIQFVGTYEGVAGDSASISIATAVISAIEGIPVDQSVAMTGSLSVKGEVLPVGGVTQKIEAAIQAGLKKVIIPKDNIDDVLLDAEHEGKIEVIPVSRINEVLEHVLEDGKKKNRLMSKFKELELAAV +>3i94.A +MAVTDLSLTNSSLMPTLNPMIQQLALAIAASWQSLPLKPYQLPEDLGYVEGRLEGEKLVIENRCYQTPQFRKMHLELAKVGKGLDILHCVMFPEPLYGLPLFGCDIVAGPGGVSAAIADLSPTQSDRQLPAAYQKSLAELGQPEFEQQRELPPWGEIFSEYCLFIRPSNVTEEERFVQRVVDFLQIHCHQSIVAEPLSEAQTLEHRQGQIHYCQQQQKNDKTRRVLEKAFGEAWAERYMSQVLFDVIQ +>1dpt.A +PFLELDTNLPANRVPAGLEKRLCAAAASILGKPADRVNVTVRPGLAMALSGSTEPCAQLSISSIGVVGTAEDNRSHSAHFFEFLTKELALGQDRILIRFFPLESWQIGKIGTVMTFL +>6dnm.A +SHMVVLGGDRDFWLQVGIDPIQIMTGTATFYTLRCYLDDRPIFLGRNGRISVFGSERALARYLADEHDHDLSDLSTYDDIRTAATDGSLAVAVTDDNVYVLSGLVDDFADGPDAVDREQLDLAVELLRDIGDYSEDSAVDKALETTRPLGQLVAYVLDPHSVGKPTAPYAAAVREWEKLERFVESRLRRE +>5pal.A +PMTKVLKADDINKAISAFKDPGTFDYKRFFHLVGLKGKTDAQVKEVFEILDKDQSGFIEEEELKGVLKGFSAHGRDLNDTETKALLAAGDSDHDGKIGADEFAKMVAQA +>2gs5.A 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+AGMQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKFTSGPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLTDLGKYADITTLSFNPYKNFGVCGKAGAIATDNEELAKKCIQFSYHGFEVNVKNKKVINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQNKGYIELPELSEDHVWHLFPIKVRTEDRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGLQLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV +>3apr.E +AGVGTVPMTDYGNDIEYYGQVTIGTPGKKFNLDFDTGSSDLWIASTLCTNCGSGQTKYDPNQSSTYQADGRTWSISYGDGSSASGILAKDNVNLGGLLIKGQTIELAKREAASFASGPNDGLLGLGFDTITTVRGVKTPMDNLISQGLISRPIFGVYLGKAKNGGGGEYIFGGYDSTKFKGSLTTVPIDNSRGWWGITVDRATVGTSTVASSFDGILDTGTTLLILPNNIAASVARAYGASDNGDGTYTISCDTSAFKPLVFSINGASFQVSPDSLVFEEFQGQCIAGFGYGNWGFAIIGDTFLKNNYVVFNQGVPEVQIAPVAE +>2z0j.E +MRLRVDVIPGEHLAYPDVVLVVDVIRATTTAAAFLEAGAEALYWTPSLESALAFKDEDVVLAGETGGLKPPRFDLGNSPREALSAQVAGRVVVMSTTNGTKAAHAAARTAKHVLLASLYNAHAAARLARELATEEVAILCAGKEGRAGLDDLYTAGVLAEYLGFLGEVEPEDGARVALAVKRAYPDPLEALSLSAAALALKQVGLEADVPFCAQVAKSAAVPVLRGRVGEALIFKRA +>1esw.A +MELPRAFGLLLHPTSLPGPYGVGVLGREARDFLRFLKEAGGRYWQVLPLGPTGYGDSPYQSFSAFAGNPYLIDLRPLAERGYVRLEDPGFPQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFREREAWWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALREAKSALAEEVAFHAFTQWLFFRQWGALKAEAEALGIRIIGDMPIFVAEDSAEVWAHPEWFHLDEEGRPTVVAGVPPDYFSETGQRWGNPLYRWDVLEREGFSFWIRRLEKALELFHLVRIDHFRGFEAYWEIPASCPTAVEGRWVKAPGEKLFQKIQEVFGEVPVLAEDLGVITPEVEALRDRFGLPGMKVLQFAFDDGMENPFLPHNYPAHGRVVVYTGTHDNDTTLGWYRTATPHEKAFMARYLADWGITFREEEEVPWALMHLGMKSVARLAVYPVQDVLALGSEARMNYPGRPSGNWAWRLLPGELSPEHGARLRAMAEATERL +>1zxx.A +MKRIGILTSGGDAPGMNAAVRAVTRVAIANGLEVFGIRYGFAGLVAGDIFPLESEDVAHLINVSGTFLYSARYPEFAEEEGQLAGIEQLKKHGIDAVVVIGGDGSYHGALQLTRHGFNSIGLPGTIDNDIPYTDATIGYDTACMTAMDAIDKIRDTASSHHRVFIVNVMGRNCGDIAMRVGVACGADAIVIPERPYDVEEIANRLKQAQESGKDHGLVVVAEGVMTADQFMAELKKYGDFDVRANVLGHMQRGGTPTVSDRVLASKLGSEAVHLLLEGKGGLAVGIENGKVTSHDILDLFDESHRGDYDLLKLNADLSR +>1b8d.K +MKSVITTTISAADAAGRFPSSSDLESIQGNIQRAAARLEAAQKLSGNHEAVVKEAGDACFAKYSYLKNAGEAGDSPEKINKCYRDIDHYMRLINYSLVVGGTGPVDEWGIAGSREVYRALNLPGSAYIAAFTFTRDRLCVPRDMSSQAGVEFTSALDYVINSLC +>3msw.A +GTNNGKQFIHNDTMEGGKLVCREIYAMNDAASGILNPVKMYKYSYDTDQQKTVKSTYAWNIFKNTWETESRTVISRYETETSVEYSVWNKEKGSFDLSKKYIYITDNNNQLIAQYAYKMNSRTNQWILEKDALTPIYENIYATTR +>5z42.A +MKPTYEILGQMDETFILVKDSEYLYFVDQHLLEERINYEKLKDENLACRISVKAGQKLSEEKIRELIKTWRNLENPHVCPHGRPIYYKIPLREIYEKVGRNY +>1qau.A +NVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQAGDIILAVNDRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQP +>1wbe.A +MALLAEHLLRPLPADKQIETGPFLEAVSHLPPFFDCLGSPVFTPIKADISGNITKIKAVYDTNPTKFRTLQNILEVEKEMYGAEWPKVGATLALMWLKRGLRFIQVFLQSICDGERDENHPNLIRVNATKAYEMALKKYHGWIVQKIFQAALYAAPYKSDFLKALSKGQNVTEEECLEKVRLFLVNYTATIDVIYEMYTRMNAELNYKV +>7aex.A +MHHHHHHSEINPAEFEQVNMVLQGFVETSVLPVLELSADESHIEFREHSRNAHTVVWKIISTSYQDELTVSLHITTGKLQIQGRPLSCYRVFTFNLAALLDLQGLEKVLIRQEDGKANIVQQEVARTYLQTVMADAYPHLHVTAEKLLVSGLCVKLAAPDLPDYCMLLYPELRTIEGVLKSKMSGLGMPVQQPAGFGTYFDKPAAHYILKPQFAATLRPEQINIISTAYTFFNVERHSLFHMETVVDASRMISDMARLMGKATRAWGIIKDLYIV +>1ntv.A +GQDRSEATLIKRFKGEGVRYKAKLIGIDEVSAARGDKLCQDSMMKLKGVVAGARSKGEHKQKIFLTISFGGIKIFDEKTGALQHHHAVHEISYIAKDITDHRAFGYVCGKEGNHRFVAIKTAQAAEPVILDLRDLFQLIYELKQREELEKKA +>2pv4.A +GMSEIDANYRALAQQVADKVAGRVIALDRLPESLLTAYRSLCDELLADRDGRFTRAWDQLPDSASSLFERCVFHGFYLANAWIQLSIVARDISELQDTDEAIAEQEYSGLYVRVAEAALKESVKKLKKARTDRSMYNSMREVMGI +>2gh0.D +DPGCRLRSQLVPVRALGLGHRSDELVRFRFCSGSCRRARSPHDLSLASLLGAGALRPPPGSRPVSQPCCRPTRYEAVSFMDVNSTWRTVDRLSATACGCLG +>4wzg.A 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+AGMGPGDGFTILSSKSLVLGQKLSLTQSDISHIGSMRVEGIVHPTTAEIDLKEDIGKALEKAGGKEFLETVKELRKSQGPLEVAEAAVSQSSGLAAKFVIHCHIPQWGSDKCEEQLEETIKNCLSAAEDKKLKSVAFPPFPSGRNCFPKQTAAQVTLKAISAHFDDSSASSLKNVYFLLFDSESIGIYVQEMAKLDAK +>1p5g.X +MSTAKAPTLPASIFRAYDIRGVVGDTLTAETAYWIGRAIGSESLARGEPCVAVGRDGRLSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGSHNPPDYNGFKIVVAGETLANEQIQALRERIEKNDLASGVGSVEQVDILPRYFKQIRDDIAMAKPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDGNFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTIIYPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGHSLIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQRDSEHVFSAFPSDISTPEINITVTEDSKFAIIEALQRDAQWGEGNITTLDGVRVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKAVDSSLPVPF +>3kde.C +MKYCKFCCKAVTGVKLIHVPKCAIKRKLWEQSLGCSLGENSQICDTHFNDSQWKAAPAKGQTFKRRRLNADAVPSKV +>1whi.A +MIQQESRLKVADNSGAREVLVIKVLGGSGRRYANIGDVVVATVKDATPGGVVKKGQVVKAVVVRTKRGVRRPDGSYIRFDENACVIIRDDKSPRGTRIFGPVARELRDKDFMKIISLAPEVI +>4wrp.A +TIPGNFAAYHELWRNAFQEIMNDPRHQLHRNDVEYKKIHAIRTVLDDYTKGGNTWWAKFRRIFTFHWNRHHVKVVDDIVKEIDAGNYTTSRALVDRLDNLAISLGSKLNPKGTLKEQIGFIK +>2hnu.A +VRTCLPCGPGGKGRCFGPSICCGDELGCFVGTAEALRCQEENYLPSPCQSGQKPCGSGGRCAAAGICCSPDGCHEDPACDP +>6as3.A +HHHHHHMEKKLSDAQVALVAAWRKYPDLRESLEEAASILSLIVFQAETLSDQANELANYIRRQGLEEAEGACRNIDIMRAKWVEVCGEVNQYGIRVYGDAIDRDVD +>5w5c.A +GSNRRLQQTQAQVDEVVDIMRVNVDKVLERDQKLSELDDR +>1t8k.A +STIEERVKKIIGEQLGVKQEEVTNNASFVEDLGADSLDTVELVMALEEEFDTEIPDEEAEKITTVQAAIDYINGHQA +>3c1q.B +MGFAFKRGISTPDLALITRQLATLVQSGMPLEECLRAVAEQSEKPRIRTMLVAVRAKVTEGYTLSDSLGDYPHVFDELFRSMVAAGEKSGHLDSVLERLADYAENRQKMRSKLQQASENLYFQ +>2w0g.A +HKTFVEKYEKQIKHFGMLRRWDDSQKYLSDNVHLVCEETANYLVIWCIDLEVEEKCALMEQVAHQTIVMQFILELAKSLKVDPRACFRQFFTKIKTADRQYMEGFNDELEAFKERVRGRAKLRIEKAMK +>5njc.D +MALAMKVISQVEAQRKILEEAVSTALELASGKSDGAEVAVSKTTGISVSTRYGEVENVEFNSDGALGITVYHQNRKGSASSTDLSPQAIARTVQAALDIARYTSPDPCAGVADKELLAFDAPDLDLFHPAEVSPDEAIELAARAEQAALQADKRITNTEGGSFNSHYGVKVFGNSHGMLQGYCSTRHSLSSCVIAEENGDMERDYAYTIGRAMSDLQTPEWVGADCARRTLSRLSPRKLSTMKAPVIFANEVATGLFGHLVGAIAGGSVYRKSTFLLDSLGKQILPDWLTIEEHPHLLKGLASTPFDSEGVRTERRDIIKDGILTQWLLTSYSARKLGLKSTGHAGGIHNWRIAGQGLSFEQMLKEMGTGLVVTELMGQGVSAITGDYSRGAAGFWVENGEIQYPVSEITIAGNLKDMWRNIVTVGNDIETRSNIQCGSVLLPEMKIAGQ +>2qjz.A +GSDNLSRHDMLAWINESLQLNLTKIEQLCSGAAYCQFMDMLFPGSIALKKVKFQAKLEHEYIQNFKILQAGFKRMGVDKIIPVDKLVKGKFQDNFEFVQWFKKFFDANYDGKDYDPVAARQGQ +>4mb5.A +GTITSQDDNVVVGYWHNWCDGRGYQGGNAPCVELKTVNPQYNVVNISFMKVYDIAEGRIPTFKLDPTIALSEAEFIAQIDTLNSQGRSVLIALGGADAHIELTRGDEDALAAEIIRLTDLYGFDGLDIDLQQAAITAKDNQFVIPAALKMVKEHYRKTGDNFMITMAPEFPYLTANGAYTPYLTELDGYYDFINPQFYNQGGDGLWIEGVGWIAQNNDALKEEFIYYIADSLINGTRNYHKIPHDKLVFGLPSNIDAAATGYIQDPQDLYKAFDRLKAQGQPLRGVMTWSVNWDMGTDAANNSYNQQFIKDYGNFIHNQLPPVTDMTPTLSGIVDTRVELDSHFDPLIGITAKDYQGNDITADVTVSGSVNTNQVGDYLLTYSVSSDDETTNQPRKITVYEILPAFTGITDTTVVIDSEFDPMQGVSASHPTQGDLTANITVTGEVDTNVVGVYELTYQLFYGQDNQQNMTDKRIVTVVTDAVSDDDWQVGSTYVKDDKVTHNGATWTAQWWTKGEEPGTTGEWGVWR +>3dnh.B +GHMLDVAPPVITPRGTKIEPSAGAPFEAVRVARDVLHTSRTAALATLDPVSGYPYTTATNIGIEPDGTPFFFAAGLTLHARNMETDARISVTLAPFGKGDALTLPRLTLVGRADRIGPDEVPLAIARYIARYPKAKLYLSLPDTRLYRLRTEGVQINGGPARNASNITPADLRTDLSGAEELMAAAESEATRLNAIKGEASRLAVLAGAKTGRWKITSIDPDGIDLASASDLARLWFAERVETLKQFEKALAQLLKGS +>1c52.A +QADGAKIYAQCAGCHQQNGQGIPGAFPPLAGHVAEILAKEGGREYLILVLLYGLQGQIEVKGMKYNGVMSSFAQLKDEEIAAVLNHIATAWGDAKKVKGFKPFTAEEVKKLRAKKLTPQQVLAERKKLGLK +>4fhr.B +GHMDPVQLVNFLQSEHPQTIAVVLSYLDPPVAAQILGALPEELQTEVLKRIALLERTSPEVVKEIERNLEKKISGFVSRTFSKVGGIDTAAEIMNNLDRTTEKKIMDKLVQENPELADEIRRRMFVFEDILKLDDRSIQLVLREVDTRDLALALKGASDELKEKIFKNMSKRAAALLKDELEYMGPVRLKDVEEAQQKIINIIRRLEEAGEIVIAR +>6d7y.B +MKELFEVIFEGVNTSRLFFLLKEIESKSDRIFDFNFSEDFFSSNVNVFSELLIDSFLGFNGDLYFGVSMEGFSVKDGLKLPVVLLRVLKYEGGVDVGLCFYMNDFNSAGKVMLEFQKYMNGISADFGFENFYGGLEPASDQETRFFTNNRLGPLL +>6e7e.A +ATANLHLYQDLQREVGSLKEINFMLSVLQKEFLHLSKEFATTSKDLSAVSQDFYSCLQGFRDNYKGFESLLDEYKNSTEEMRKLFSQEIIADLKGSVASLREEIRFLTPLAEEVRRLAHNQQSLTAAIEELKTIRDSLRDEIGQLSQLSKTLTSQIALQRKLEHHHHHH +>2o4t.A +GAHVSRVEKLPKDYQIVYKEIQKYLFKVGPVELNEGIGLLSEILGFFEEGAAAGKGVLDVTGTDVAAFCDALIGDSKTYADLYQESIQQHVDKAMKNMKD +>2hhv.A +KKMAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFFLRPETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLLLAAYLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEPVLAEHLVRKAAAIWELERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKVDTKRLEQMGKELAEQLGTVEQRIYELAGQEFNINSPKQLGVILFEKLQLPVLKKTKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVVRPDTKKVHTIFNQALTQTGRLSSTEPNLQNIPIRLEEGRKIRQAFVPSESDWLIFAADYSQIELRVLAHIAEDDNLMEAFRRDLDIHTKTAMDIFQVSEDEVTPNMRRQAKAVNFGIVYGISDYGLAQNLNISRKEAAEFIERYFESFPGVKRYMENIVQEAKQKGYVTTLLHRRRYLPDITSRNFNVRSFAERMAMNTPIQGSAADIIKKAMIDLNARLKEERLQAHLLLQVHDELILEAPKEEMERLCRLVPEVMEQAVTLRVPLKVDYHYGSTWYDAK +>1xeo.A +SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA +>1z2u.A +GSHMALKRIQKELQDLGRDPPAQCSAGPVGDDLFHWQATIMGPPESPYQGGVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSICLDILRSQWSPALTISKVLLSICSLLCDPNPDDPLVPEIARIYKTDRERYNQLAREWTQKYAM +>2b97.A 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+DNMFCNKEYCNRLKDENNCISNLQVEDQGNCDTSWIFASKYHLETIRCMKGYEPTKISALYVANCYKGEHKDRCDEGSSPMEFLQIIEDYGFLPAESNYPYNYVKVGEQCPKVEDHWMNLWDNGKILHNKNEPNSLDGKGYTAYESERFHDNMDAFVKIIKTEVMNKGSVIAYIKAENVMGYEFSGKKVKNLCGDDTADHAVNIVGYGNYVNSEGEKKSYWIVRNSWGPYWGDEGYFKVDMYGPTHCHFNFIHSVVIFNVDLPMN +>6bn0.A +QPYNPCKPQEVIDTKCMGPKDCLYPNPDSCTTYIQCVPLDEVGNAKPVVKPCPKGLQWNDNVGKKWCDYPNLSTCPVKT +>2ycl.A +MGLTGLEIYKHLPKKNCKECGQPTCLAFAMQIAAGKAGLDACPYVSDEAKELLESASAPPVALIKVGKGEKVLEIGHETVLFRHDKRFEHPCGLAILVEDTLSEGEIKERVEKINKLVFDRVGQMHSVNLVALKGSSQDAATFAKAVATAREVTDLPFILIGTPEQLAAALETEGANNPLLYAATADNYEQMVELAKKYNVPLTVSAKGLDALAELVQKITALGYKNLILDPQPENISEGLFYQTQIRRLAIKKLFRPFGYPTIAFALDENPYQAVMEASVYIAKYAGIIVLNTVEPADILPLITLRLNIYTDPQKPIAVEPKVYEILNPGPDAPVFITTNFSLTYFCVAGDVEGARIPAYILPVDTDGTSVLTAWAAGKFTPEKIAQFLKESGIAEKVNHRKAILPGGVAVLSGKLQELSGWEILVGPRESSGINSFIKQRWNV +>4ys0.A +MILFDKNKRILKKYAKMVSKINQIESDLRSKKNSELIRLSMVLKEKVNSFEDADEHLFEAFALVREAARRTLGMRPFDVQVMGGIALHEGKVAEMKTGEGKTLAATMPIYLNALIGKGVHLVTVNDYLARRDALWMGPVYLFLGLRVGVINSLGKSYEVVWKNPDLARKAIEENWSVWPDGFNGEVLKEESMNKEAVEAFQVELKEITRKEAYLCDVTYGTNNEFGFDYLRDNLVLDYNDKVQRGHFYAIVDEADSVLIDEARTPLIISGPSKESPSVYRRFAQIAKKFVKDKDFTVDEKARTIILTEEGVAKAEKIIGVENLYDPGNVSLLYHLINALKALHLFKKDVDYVVMNGEVIIVDEFTGRLLPGRRYSGGLHQAIEAKEGVPIKEESITYATITFQNYFRMYEKLAGMTGTAKTEESEFVQVYGMEVVVIPTHKPMIRKDHDDLVFRTQKEKYEKIVEEIEKRYKKGQPVLVGTTSIEKSELLSSMLKKKGIPHQVLNAKYHEKEAEIVAKAGQKGMVTIATNMAGRGTDIKLGPGVAELGGLCIIGTERHESRRIDNQLRGRAGRQGDPGESIFFLSLEDDLLRIFGSEQIGKVMNILKIEEGQPIQHPMLSKLIENIQKKVEGINFSIRKTLMEMDDVLDKQRRAVYSLRDQILLEKDYDEYLKDIFEDVVSTRVEEFCSGKNWDIESLKNSLSFFPAGLFDLDEKQFSSSEELHDYLFNRLWEEYQRKKQEIGEDYRKVIRFLMLRIIDDHWRRYLEEVEHVKEAVQLRSYGQKDPIVEFKKETYYMFDEMMRRINDTIANYVLRVLEHHHHHH +>3bec.A 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+GALRSLVLIGHGSHHHGESARATQQVAEALRGRGLAGHLPYDEVLEGYWQQEPGLRQVLRTVAYSDVTVVPVFLSEGYVTETVLPRELGLGHQGPVPTGGVVRVLGGRRVRYTRPLGAHPGMADAIAAQARDTLPEGTDPADVTLLLLAARPGNAALETHAQALRERGQFAGVEVVLESREALTPESHAASAVPLSEWPSRVEAGQAVLVPFLTHLGKHAAERLQQALAQAAERFPQAPPLHVGGPVGEHPAVAEVVLALAAEGREDERGGDIDQAHAEAWAALRHLAERGGRLGEVLLTPYGGLFELRHTLDEGRATLDLQTVVTPEGLRDLTARDEAGRWRPIRTWRTLPRGWRAVLSPADLRLGLELLYPAVIEESYAHEHRRLHWTPWMSTARRQTGTLARVQRATPDQVDTVAAQVCASCLRTRLWAGHTLGQTIFSGVPGGLPCAEACTVLLAAVRDEVGREAMGSGD +>4v1g.B +MELDPNALITAGALIGGGLIMGGGAIGAGIGDGIAGNALISGIARQPEAQGRLFTPFFITVGLVEAAYFINLAFMALFVFATPGLQ +>5oh5.A +GPSILEEYIRMAKNKEFFDALEEIAESAKNDETLRNELAKVLDDILKTDPSDPEAFRKIVAEHQEFWDEHDPSLMEFNEGRFFGKSRKQYLKSDDFLNSTDPTYNFQKLHQFAAEQRVKLGLEKSDTDTLVAILKNNPEECRAYIESKKPGLGNFSEGNVHGWLKEEYTPTIPPKAINKSTGVLSDEAIKRIKEQARDLLLLKLINSSGNTQLLKDLRDAMSKPEAERAANALGFPTEGNGVLFLSREVVDALEERVEKLEQEAAKRGFDSYVQSLSHNALLA +>3eye.A +MSLSSPNILLTRIDNRLVHGQVGVTWTSTIGANLLVVVDDVVANDDIQQKLMGITAETYGFGIRFFTIEKTINVIGKAAPHQKIFLICRTPQTVRKLVEGGIDLKDVNVGNMHFSEGKKQISSKVYVDDQDLTDLRFIKQRGVNVFIQDVPGDQKEQIPDEGHHHHHH +>2f60.K +GEHIPGTLRFRLSPAARNILEKHSLDASQGTATGPRGIFTKEDALKLVQLKQTGKILEHHHHHH +>1qnx.A +AEAEFNNYCKIKCLKGGVHTACKYGSLKPNCGNKVVVSYGLTKQEKQDILKEHNDFRQKIARGLETRGNPGPQPPAKNMKNLVWNDELAYVAQVWANQCQYGHDTCRDVAKYQVGQNVALTGSTAAKYDDPVKLVKMWEDEVKDYNPKKKFSGNDFLKTGHYTQMVWANTKEVGCGSIKYIQEKWHKHYLVCNYGPSGNFKNEELYQTK +>4h4n.A +SNAMEKKPIAFKVPPNSKLKVTFFGPYNEVITNVSIINQLSTPKCQTITRYPNYTKYETEVRSLSSC +>3h0n.A +GMNLDSYERTGLRVSLDLVNIATPGSRRGTPHTGGCVIEDLHDLLKDDPASVAQLGDDHVEGFVELARLLHTAIDALSNGQVATAATALNHLLRKHPATPELAQDPDGTWRLHHHPLDAELVPMWTAICAEGLAREIGHQNVRRFGICNAHRCDRVYFDTSRNGTRQYCSLACQNRVKAAAFRERRAT +>4o66.D +GPGSPQNTGFLRGACIKTGDRFRVKIGYNQELIAVFKSLPSRHYDSFTKTWDFSMSDYRALMKAVERLSTVSLKPL +>1ig3.A 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+MSQPRTVTVLGATGSIGHSTLDLIERNLDRYQVIALTANRNVKDLADAAKRTNAKRAVIADPSLYNDLKEALAGSSVEAAAGADALVEAAMMGADWTMAAIIGCAGLKATLAAIRKGKTVALANKESLVSAGGLMIDAVREHGTTLLPVDSEHNAIFQCFPHHNRDYVRRIIITASGGPFRTTSLAEMATVTPERAVQHPNWSMGAKISIDSATMMNKGLELIEAFHLFQIPLEKFEILVHPQSVIHSMVEYLDGSILAQIGSPDMRTPIGHTLAWPKRMETPAESLDFTKLRQMDFEAPDYERFPALTLAMESIKSGGARPAVMNAANEIAVAAFLDKKIGFLDIAKIVEKTLDHYTPATPSSLEDVFAIDNEARIQAAALMESLPA +>3eqx.A +GMEWQAEQAYNHLPPLPLDSKLAELAETLPILKACIPARAALAELKQAGELLPNQGLLINLLPLLEAQGSSEIENIVTTTDKLFQYAQEDSQADPMTKEALRYRTALYQCFTQLSNRPLCVTTALEICSTIKSVQMDVRKVPGTSLTNQATGEVIYTPPAGESVIRDLLSNWEAFLHNQDDVDPLIKMAMAHYQFEAIHPFIDGNGRTGRVLNILYLIDQQLLSAPILYLSRYIVAHKQDYYRLLLNVTTQQEWQPWIIFILNAVEQTAKWTTHKIAAARELIAHTTEYVRQQLPKIYSHELVQVIFEQPYCRIQNLVESGLAKRQTASVYLKQLCDIGVLEEVQSGKEKLFVHPKFVTLMTKDSNQFSRYAL +>2end.A +MTRINLTLVSELADQHLMAEYRELPRVFGAVRKHVANGKRVRDFKISPTFILGAGHVTFFYDKLEFLRKRQIELIAECLKRGFNIKDTTVQDISDIPQEFRGDYIPHEASIAISQARLDEKIAQRPTWYKYYGKAIYA +>1dj0.B 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+MNIDPAARAAAAAAASKAAVTAADAAAAAATIAASAASVAAATAADDAAASIATINAASAAAKSIAAAAAMAAKDTAAAAASAAAAAVASAAKALETINVKAAYAAATTANTAAAAAAATATTAAAAAAAKATIDNAAAAKAAAVATAVSDAAATAATAAAVAAATLEAAAAKAAATAVSAAAAAAAAAIAFAAAP +>2op6.A +SNADVNPLTLGIETVGGVMTKLIGRNTVIPTKKSQVFSTAADSQSAVSIVIYEGERPMVMDNHKLGNFDVTGIPPAPRGVPQIEVTFEIDVNGILHVSAEDKGTGNKNKLTITNDHNRLSPEDIERMINDADKFAADDQAQKEKVESRNELE +>2x5h.B +GMASLKEIIDELGKQAKEQNKIASRIMKIKGIKRIVVQLNAVPQDGKIRYSMTIHSQNNFRKQIGITPQDAEDLKLIAEFLEKYSDFLNEYVKFTPR +>3o6p.A +SNAASTQYMELNQRDEKSPFRNANLRKAISYSIDRKALVESILGDGSIEPNGLVPADMAKDPSGGKDFAKEAGSQIEYDTKKAKEYWEKAKKELGISTLTMDILSSDADSSKKTVEFVQGSIQDALDGVKVTVSPVPFSVRLDRSNKGDFDAVIGGWSADYADPSSFLDLFASDNSYNRGRYNNAEFDKFVKAASSADATDPEKRWDDMLNAEKTIMGDMGVVPLFQKS +>2wqi.D +GSDEDTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQLLQRP +>1v9m.A 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+GSHNGIDCSFWNESYLTGSRDERKKSLLSKFGMDEGVTFMFIGRFDRGQKGVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEGWARSLEEKHGNVKVITEMLSREFVRELYGSVDFVIIPSYFEPFGLVALEAMCLGAIPIASAVGGLRDIITNETGILVKAGDPGELANAILKALELSRSDLSKFRENCKKRAMSFS +>6c62.C +MTETEIFAYIEAASIAIGIPLEPARARAVAHHFSRTALLAEMLESVPLSPESELAEIYRPAPFPAEDI +>2wb6.A +MSYYHHHHHHLESTSLYKKAGSENLYFQGIVDKNKIVIPMSEFLDSMFLVIEKLGVHAEKKGSMIFLSSERVKLADWKQLGAMCSDCYHCKLPLSSFIEIVTRKAKDKFLVMYNEKEVTLVARGVQTIQK +>4wlr.B +QVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTLTSPQFQQALGMFSAALASGQLGPLMCQFGLPAEAVEAANKGDVEAFAKAMQNNAK +>2ovj.A +SMEGMLADFVSQTSPMIPSIVVHCVNEIEQRGLTETGLYRISGCDRTVKELKEKFLRVKTVPLLSKVDDIHAICSLLKDFLRNLKEPLLTFRLNRAFMEAAEITDEDNSIAAMYQAVGELPQANRDTLAFLMIHLQRVAQSPHTKMDVANLAKVFGPTIVAHAVPNPDPVTMLQDIKRQPKVVERLLSLPLEYWSQFMMVE +>5njl.A +TTQVKKETITKKEATELVSKVRDLMSQKYTGGSQVGQPIYEIKVGETLSKLKIITNIDELEKLVNALGENKELIVTITDKGHITNSANEVVAEATEKYENSADLSAEANSITEKAKTETNGIYKVADVKASYDSAKDKLVITLRDKTDTVTSKTIEIGIGDEKIDLTANPVDSTGTNLDPSTEGFRVNKIVKLGVAGAKNIDDVQLAEITIKNSDLNTVSPQDLYDGYRLTVKGNMVANGTSKSISDISSKDSETGKYKFTIKYTDASGKAIELTVESTNEKDLKDAKAALEGNS +>3q0i.A +SNAMSQSLRIVFAGTPDFAARHLAALLSSEHEIIAVYTQPERPAGRGKKLTASPVKTLALEHNVPVYQPENFKSDESKQQLAALNADLMVVVAYGLLLPKVVLDTPKLGCINVHGSILPRWRGAAPIQRSIWAGDSETGVTIMQMDVGLDTGDMLKIATLPIEASDTSASMYDKLAELGPQALLECLQDIAQGTAVAVKQDDGLANYAHKLSKEEARINWSDAATHIERCIRAFNPWPMSHFEVAENSIKVWQARVETRAVTQTPGTIIQADKSGIYVATGQDVLVLESLQIPGKKALPVQDILNARADWFSVGSQLS +>3nl9.A +GMKQPNYYQDVKQFHQTFHHPGADQPTAIPLDRGVKRATWTAEEAVVEFLHQSSQNETEFLAAIETFKAGLDQAVKKSLKETYPVTEVERLVGQGDALTDALYFIMGSFVEAGLEPGPLFEIVQQANMAKLGPDGQPIFRESDQKVMKPDGWLPPEPQLEAEVVRQMKEKA +>1n7z.A +MNDSSVIYRAIVTSKFRTEKMLNFYNSIGSGPDKNTIFITFGRSEPWSSNENEVGFAPPYPTDSVLGVTDMWTHMMGTVKVLPSMLDAVIPRRDWGDTRYPDPYTFRINDIVVCNSAPYNATESGAGWLVYRCLDVPDTGMCSIASLTDKDECLKLGGKWTPSARSMTPPEGRGDAEGTIEPGDGYVWEYLFEIPPDVSINRCTNEYIVVPWPEELKEDPTRWGYEDNLTWQQDDFGLIYRVKANTIRFKAYLDSVYFPEAALPGNKGFRQISIITNPLEAKAHPNDPNVKAEKDYYDPEDLMRHSGEMIYMENRPPIIMAMDQTEEINILFTF +>3fcn.A +GMGMEHKTYEADLFVWCQQQADGLRALSRSRRDLPDDLDLEHIAEEIEDMGRSELREATSLVRQICVRVIMAMSAPEAPDRARWRSEVVSWHNLLLDTITPGMIDRIDIGVIWRRAVSEAKAALIEINVAPQAGLSFQAPLPADHFLDEDFDYDATVARLGPTA +>2dwk.A +GSSGSSGMANERMNLMNMAKLSIKGLIESALNLGRTLDSDYAPLQQFFVVMEHCLKHGLKAKKTFLGQNKSFWGPLELVEKLVPEAAEITASVKDLPGLKTPVGRGRAWLRLALMQKKLSEYMKALINKKELLSEFYEVNALMMEEEGAIIAGLLVGLNVIDANFCMKGEDLDSQVGVID +>3m5q.A +AVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSANNGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGGFTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQSDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCPSERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA +>1lj5.A +VHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRSTVKQVDFSEVERARFIINDWVKTHTKGMISNLLGKGAVDQLTRLVLVNALYFNGQWKTPFPDSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAPYEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFRQFQADFTSLSDQEPLHVAQALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIMDRPFLFVVRHNPTGTVLFMGQVMEP +>1gnt.A +MFCFQCQETAKNTGCTVKGMCGKPEETANLQDLLIFVLRGIAIYGEKLKELGQPDRSNDDFVLQGLFATITNANWDDARFEAMISEGLARRDKLRNAFLAVYKAKNGKDFSEPLPEAATWTGDSTAFAEKAKSVGILATENEDVRSLRELLIIGLKGVAAYAEHAAVLGFRKTEIDEFMLEALASTTKDLSVDEMVALVMKAGGMAVTTMALLDEANTTTYGNPEITQVNIGVGKNPGILISGHDLKDMAELLKQTEGTGVDVYTHGEMLPANYYPAFKKYPHFVGNYGGSWWQQNPEFESFNGPILLTTNCLVPLKKENTYLDRLYTTGVVGYEGAKHIADRPAGGAKDFSALIAQAKKCPPPVEIETGSIVGGFAHHQVLALADKVVEAVKSGAIKRFVVMAGCDGRQKSRSYYTEVAENLPKDTVILTAGCAKYRYNKLNLGDIGGIPRVLDAGQCNDSYSLAVIALKLKEVFGLDDINDLPVSYDIAWYEQKAVAVLLALLFLGVKGIRLGPTLPAFLSPNVAKVLVENFNIKPIGTVQDDIAAMMAGK +>5jbg.A +GAMGGGSELHGYQLEAVAPALRGRNSIVWLPTGAGKTRAAVHVCRRHLEGRRGGRVAVLVNKVHLVQQHLEKEFHVLRDAFKVTAVSGDSSHKCFFGQLAKGSDVVICTAQILQNALLSGEEEARVELTDFSLLVIDECHHTQKEAVYNKIMLSYLQKKLSGQRDLPQILGLTASPGTGGETSFEGAVEHILQICANLDTEVIASAQEHAQHLQSHVPQPTKQYDLCQEREQDPFGQRLKKIMAQIQEHMEMPELPQNFGTQVYEQRIVELENRAAERFCRKTRVCALHLRRYNDALLINDTVRMMDAFQCLQQFYADKRDTKDPTERFLATTFEENRATLQALAGDQRYENPRLSKLEEILQEHFQPPGSSRGIVFTKTRQSAHSLLSWLQDTAGLCGQHIRAAVLTGSGHSNQAKGMTQNEQQDVITLFRYGELNLLFSTSVAEEGLDIPECNIVVRYGLMTNEIAMVQAQGRARAQNSMYSVLAKANSREVYREQLNESLVGLMERAIRAVQAMPERKYRLKIVELQRNAVLSWQVKEARSSERRQLHDPDDVYFHCVNCNVAVCRGSDIRTVEAMHHVNINPNFRFYYTVSSGKIHFERTFRDWEPGCRIVCSECRQEWGMEMIYRNVTLPILSIKNFVVVTPDEKKKYKKWSTVTFPIEEFSYLEYCSSTQDESL +>5m45.K +MNVPVGHLRNVQVLGIDAGGTMTDTFFVDQDGDFVVGKAQSTPQNEALGLIASSEDGLANWGMSLHEALAQLQTGVYSGTAMLNRVVQRKGLKCGLIVNRGMEDFHRMGRAVQSHLGYAYEDRIHLNTHRYDPPLVPRHLTRGVVERTDMMGTQVIPLREDTARDAARDLIAADAEGIVISLLHSYKNPVNERRVRDIVLEEVEKSGKKIPVFASADYYPVRKETHRTNTTILEGYAAEPSRQTLSKISNAFKERGTKFDFRVMATHGGTISWKAKELARTIVSGPIGGVIGAKYLGEVLGYKNIACSDIGGTSFDVALITQGEMTIKNDPDMARLVLSLPLVAMDSVGAGAGSFIRLDPYTRAIKLGPDSAGYRVGVCWKESGIETVTISDCHMVLGYLNPDNFLGGAVKLDRQRSVDAIKAQIADPLGLSVEDAAAGVIELLDSDLRDYLRSMISGKGYSPASFVCFSYGGAGPVHTYGYTEGLGFEDVIVPAWAAGFSAFGCAAADFEYRYDKSLDINMPTETPDTDKEKAAATLQAAWEELTKNVLEEFKLNGYSADQVTLQPGYRMQYRGQLNDLEIESPLAQAHTAADWDQLTDAFNATYGRVYAASARSPELGYSVTGAIMRGMVPIPKPKIPKEPEEGETPPESAKIGTRKFYRKKRWVDAQLYHMESLRPGNRVMGPAVIESDATTFVVPDGFETWLDGHRLFHLREV +>5ori.A +DTHKSEIAHRFNDLGEENFQGLVLIAFSQYLQQCPFDEHVKLVKELTEFAKTCVADESHAGCDKSLHTLFGDELCKVATLRETYGDMADCCEKQEPERNECFLKHKDDSPDLPKLKPEPDTLCAEFKADEKKFWGKYLYEVARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKADFTDVTKIVTDLTKVHKECCHGDLLECADDRADLAKYICDHQDTLSSKLKECCDKPVLEKSHCIAEIDKDAVPENLPPLTADFAEDKEVCKNYQEAKDVFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEDCCAKEDPHACYATVFDKLKHLVDEPQNLIKKNCELFEKHGEYGFQNALIVRYTRKAPQVSTPTLVEISRSLGKVGTKCCAKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSDLTLDETYVPKPFDGESFTFHADICTLPDTEKQIKKQTALVELLKHKPKATDEQLKTVMENFVAFVDKCCAADDKEGCFLLEGPKLVASTQAALA +>2xf2.A +QQFLSQFYLNDQDVYLTSNVGGPIQDENSLSAGQRGATLLQDFIFREKIQRFDHERVPERAVHARGTGAHGTFTSYGDWSNLTAASFLSAEGKETPMFTRFSTVAGSRGSADTARDVHGFATRFYTDEGNFDIVGNNIPVFFIQDAILFPDLIHAVKPRGDNQIPQAATAHDSAWDFFSQQPSVLHTLLWAMAGHGIPRSFRHVNGFGVHTFRLVTDDGKTKLVKFHWKGLQGKASFVWEEAQQTAGKNADFMRQDLFQSIQAGRFPEWELGVQIMQEQDQLKFGFDLLDPTKIVPEELVPVTILGKMQLNRNPMNYFAETEQVMFQPGHIVRGVDFTEDPLLQGRLFSYLDTQLNRHGGPNFEQLPINRPRAPIHNNNRDGAGQMFIPLDPNAYSPNTENKGSPKQANETVGKGFFTAPERTASGKLQRTLSTTFENNWSQPRLFWNSLVNAQKEFIVDAMRFETSNVSSSVVRDDVIIQLNRISDNLATRVASAIGVEAPKPNSSFYHDNTTAHIGAFGEKLAKLDGLKVGLLASVNKPASIAQGAKLQVALSSVGVDVVVVAERMANNVDETYSASDAVQFDAVVVADGAEGLFGADSFTVEPSAGSGASTLYPAGRPLNILLDAFRFGKTVGALGSGSDALESGQISSERQGVYTGKNAGDAFAKDIKSGLSTFKFLDRFAVDE +>3u9g.A +GPLGMADPGVCCFITKILCAHGGRMTLEELLGEIRLPEAQLYELLETAGPDRFVLLETGGQAGITRSVVATTRARVCRRKYCQRPCDSLHLCKLNLLGRCHYAQSQRNLCKYSHDVLSEQNFQILKNHELSGLNQEELACLLVQSDPFFLPEICKSYKGEGRKQTCGQPQPCERLHICEHFTRGNCSYLNCLRSHNLMDRKVLTIMREHGLSPDVVQNIQDICNNKHAR +>2yvo.A +MSPWERILLEEILSEPVRLVKERVRTHTGRELTYVYRPGPVAASFVLPVTERGTALLVRQYRHPTGKFLLEVPAGKVDEGETPEAAARRELREEVGAEAETLIPLPSFHPQPSFTAVVFHPFLALKARVVTPPTLEEGELLESLELPLTEVYALLAKGEIQDASTALTLFYAEPHLKRLGLL +>3ldu.A +SNAMKNYTLISPCFFGMEKMLAREITNLGYEIIKTEDGRITYKTDEFGIAKSNMWLRCAERVHLKIAEFEAKSFDELFENTKRINWSRYIPYGAQFPISKASSIKSKLYSTPDVQAIVKKAIVESLKKSYLEDGLLKEDKEKYPIFVFIHKDKVTISIDTTGDALHKRGYREKANKAPIRETLAAGLIYLTPWKAGRVLVDPMCGSGTILIEAAMIGINMAPGLNREFISEKWRTLDKKIWWDVRKDAFNKIDNESKFKIYGYDIDEESIDIARENAEIAGVDEYIEFNVGDATQFKSEDEFGFIITNPPYGERLEDKDSVKQLYKELGYAFRKLKNWSYYLITSYEDFEYEFGQKADKKRKLYNGMLKTNFFQYPGPKPPRNNK +>2cyj.A +MKIEEVRFGLVKIDGKEFDHDIVIYPSGRIERRMKEISKKKHGTSHKLDPEELEKYLVEDFDVLLVGTGIYGMLSLLPESKKLVEDKEVIEKPTKEALKLLEELWGKKRILAIIHVTC +>1dk8.A +GSASPTPPYLKWAESLHSLLDDQDGISLFRTFLKQEGCADLLDFWFACTGFRKLEPCDSNEEKRLKLARAIYRKYILDNNGIVSRQTKPATKSFIKGCIMKQLIDPAMFDQAQTEIQATMEENTYPSFLKSDIYLEYTRTGSESPKV +>1yu5.X +PTKLETFPLDVLVNTAAEDLPRGVDPSRKENHLSDEDFKAVFGMTRSAFANLPLWKQQNLKKEKGLF +>2zwd.A +MTVRKNQATLTADEKRRFVAAVLELKRSGRYDEFVRTHNEFIMSDTDSGERTGHRSPSFLPWHRRFLLDFEQALQSVDSSVTLPYWDWSADRTVRASLWAPDFLGGTGRSTDGRVMDGPFAASTGNWPINVRVDSRTYLRRSLGGSVAELPTRAEVESVLAISAYDLPPYNSASEGFRNHLEGWRGVNLHNRVHVWVGGQMATGVSPNDPVFWLHHAYVDKLWAEWQRRHPDSAYVPTGGTPDVVDLNETMKPWNTVRPADLLDHTAYYTFDALEHHHHHH +>2pa6.B +MLYNMDERFEIKDIVAREVIDSRGNPTVEVEVITKGNGYGSAIVPSGASTGTHEALELRDKEKRFGGKGVLMAVENVNSIIRPEILGYDARMQREIDTIMIELDGTPNKSRLGANAILAVSLAVAKAAAATAKIPLYKYLGGFNSYVMPVPMMNVINGGKHAGNDLDLQEFMIMPVGATSISEAVRMGSEVYHVLKNVILEKYGKNAVNVGDEGGFAPPLKTSREALDLLTESVKKAGYEDEVVFALDAAASEFYKDGYYYVEGKKLTREELLDYYKALVDEYPIVSIEDPFHEEDFEGFAMITKELDIQIVGDDLFVTNVERLRKGIEMKAANALLLKVNQIGTLSEAVDAAQLAFRNGYGVVVSHRSGETEDTTIADLSVALNSGQIKTGAPARGERTAKYNQLIRIEQELGLSKYAGRNFRCPF +>2p6h.B +METGSFTVKTERRLQVLDVTGKVEEWLSTVGGVNGLLVVYVPHTTAAVAVNEAEPRLMEDIVEFIRELTKPGGPWKHNLVDVNAHAHLGNTIIGDSRVIPVVGGRLSLGTWQRILFVEMDGPRERTVNLLYLGE +>4cfi.A +DGVSILQTASSGLTSLTNSLQRIRQLAVQASNGPLSASDASALQQEVAQQISEVNRIASQTNYNGKNILDGSAGTLSFQVGANVGQTVSVDLTQSMSAAKIGGGMVQTGQTLGTIKVAIDSSGAAWSSGSTGQETTQINVVSDGKGGFTFTDQNNQALSSTAVTAVFGSSTAGTGTAASPSFQTLALSTSATSALSATDQANATAMVAQINAVNKPQTVSNLDISTQTGAYQAMVSIDNALATVNNLQATLGAAQNRF +>4j4r.A +SNAMSEWSRIAVEFGEQQLNLTELEDFARELAYEGLDPALIIKKLKETGGDDWVKDTKFIIVFALTRGNKIVKASGKMSNSGSKRLMALQEKYGLVERAETRLSITPVRVAQSLPTWTCAAAAALKEYLPVGPAVMNLKVENYPPEMMCMAFGSLIPTAGVSEATTKTLMEAYSLWQDAFTKTINVKMRGASKTEVYNSFRDPLHAAVNSVFFPNDVRVKWLKAKGILGPDGVPSRAAEVAAAAYRNL +>3lk7.A +MKTITTFENKKVLVLGLARSGEAAARLLAKLGAIVTVNDGKPFDENPTAQSLLEEGIKVVCGSHPLELLDEDFCYMIKNPGIPYNNPMVKKALEKQIPVLTEVELAYLVSESQLIGITGSNGKTTTTTMIAEVLNAGGQRGLLAGNIGFPASEVVQAANDKDTLVMELSSFQLMGVKEFRPHIAVITNLMPTHLDYHGSFEDYVAAKWNIQNQMSSSDFLVLNFNQGISKELAKTTKATIVPFSTTEKVDGAYVQDKQLFYKGENIMSVDDIGVPGSHNVENALATIAVAKLAGISNQVIRETLSNFGGVKHRLQSLGKVHGISFYNDSKSTNILATQKALSGFDNTKVILIAGGLDRGNEFDELIPDITGLKHMVVLGESASRVKRAAQKAGVTYSDALDVRDAVHKAYEVAQQGDVILLSPANASWDMYKNFEVRGDEFIDTFESLRGE +>5iff.A +MEASVSFENGKIVVRLPITRPTSKIAVKKIENGVGIPVSTRKKSFPSDENLRDYYIAWQISYARDGKYDYELSRMVRLAHEHGILTYNDIYELLKFADDVKSYLEDKGIRRESTNEELYGFNIYEDVYPVAKKELPSGEFIGIVLKHKQRAVGYQSMVYVCIPLTNVEPSLAGRVARRNEVVKYEVPVDLMKELLKAFIIASETHKNDIVKFLRSIIGTS +>4oie.A +MASMRESNTTECDSKIMGTAVKNNLAIHSDLSYWIESRLNDTWKLERAVLGEVKSCTWPETHTLWGDGILESDMIIPVTLAGPRSNHNRRPGYKTQNQGPWDEGRVEIDFDYCPGTTVTLSESCGHRGPATRTTTESGKLITDWCCRSCTLPPLRYQTDSGCWYGMEIRPQRHDEKTLVQSQVNA +>2cfe.A +MSNVFFDITKNGAPLGTIKFKLFDDVVPKTAANFRALCTGEKGFGYAGSHFHRVIPDFMLQGGDFTAGNGTGGKSIYGAKFADENFQLKHNKPGLLSMANAGPNTNGSQFFITTVVTSWLDGKHVVFGEVIDGMNVVKAIEAEGSGSGKPRSRIEIAKCGVC +>7fd1.A +AFVVTDNCIKCKYTDCVEVCPVDCFYEGPNFLVIHPDECIDCALCEPECPAQAIFSEDEVPEDMQEFIQLNAELAEVWPNITEKKDPLPDAEDWDGVKGKLQHLER +>1hw1.B +MVIKAQSPAGFAEEYIIESIWNNRFPPGTILPAERELSELIGVTRTTLREVLQRLARDGWLTIQHGKPTKVNNFWETSGLNILETLARLDHESVPQLIDNLLSVRTNISTIFIRTAFRQHPDKAQEVLATANEVADHADAFAELDYNIFRGLAFASGNPIYGLILNGMKGLYTRIGRHYFANPEARSLALGFYHKLSALCSEGAHDQVYETVRRYGHESGEIWHRMQKNLPGDLAIQGR +>1v4p.C +MYSIEVRTHSALHVVKGAVVKVLGSEAKWTYSTYVKGNKGVLIVKFDRKPSDEEIREIERLANEKVKENAPIKIYELPREEAEKMFGEDMYDLFPVPEDVRILKVVVIEDWNVNACNKEHTKTTGEIGPIKIRKVRFRKSKGLLEIHFELLELENPS +>2fzp.A +MGSSHHHHHHSSGLVPRGSTIEYNEILEWVNSLQPARVTRWGGMISTPDAVLQAVIKRSLVESGCPASIVNELIENAHERSWPQGLATLETRQMNRRYYENYVAKRIPGKQAVVVMACENQHMGDDMVQEPGLVMIFAHGVEEI +>4f55.A +GGGRTNVPNGYSQNDIQLMANAVYGESRGEPYLGQVAVAAVILNRVTSASFPNTVSGVIFEPRAFTAVADGQIYLTPNETAKKAVLDAINGWDPTGNALYYFNPDTATSKWIWTRPQIKKIGKHIFCK +>5zlq.A +GPMGKIALQLKATLENITNLRPVGEDFRWYLKMKCGNCGEISDKWQYIRLMDSVALKGGRGSASMVQKCKLCARENSIEILSSTIKPYNAEDNENFKTIVEFECRGLEPVDFQPQAGFAAEGVESGTAFSDINLQEKDWTDYDEKAQESVGIYEVTHQFVKC +>5wx9.A +MDQGGRGVGAEHGKYRGVRRRPWGKYAAEIRDSRKHGERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMGSGVSSSTAMAGSSSASASASSSSRQVFEFEYLDDSVLEELLEEGEKPNKGKKK +>2vy8.A +GEINGPESVLVNTYQWIIRNWETVKIQWSQNPTMLYNKMEFEPFQSLVPKAIRGQYSGFVRTLFQQMRDVLGTFDTTQIIKLLPFAAAPPEQSRMQFSSLTVNVRGSGMRILVRGNSPVFNYNKTTKRLTILGKDAGTLIEDPDESTSGVESAVLRG +>2c9i.D +MYPSIKETMRVQLSMEGSVNYHAFKCTGKGEGKPYEGTQSLNITITEGGPLPFAFDILSHAFQYGIKVFAKYPKEIPDFFKQSLPGGFSWERVSTYEDGGVLSATQETSLQGDCIICKVKVLGTNFPANGPVMQKKTCGWEPSTETVIPRDGGLLLRDTPALMLADGGHLSCFMETTYKSKKEVKLPELHFHHLRMEKLNISDDWKTVEQHESVVASYSQVPSKLGHN +>2hxm.A +MEFFGESWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDWKEL +>2au7.A +SLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDQFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVTRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKNK +>4phr.A +SEFELMKRLSEIKVLPILESLKYIKHNHASVVRFGDGEIDLMTGHSIPYQDYNEKLAKRLQQILQTKSDEKLLVCLPDVFSNMDRYNQNARHFWERHFLKYSEFYLNCCDAPFYGSTFISRPYIDLIDKSPSEAYFESLKELWRGKDLLIVEGATSRSGVGNDLFVAASSIKRLVCPSKNAFQYYDEILRLTEKNAKNRLILVMLGPTAKVLVADLTTKGYQAIDLGHIDSEYEWYEMGATYKVKLTNKHTAEFNYDEGIELEFSQEYQEQIVARIG +>5ggl.A +GPLGSGSGPRRVLDVEVYSSRSKVYVAVDGTTVLEDEAREQGRGIHVIVLNQATGHVMAKRVFDTYSPHEDEAMVLFLNMVAPGRVLICTVKDEGSFHLKDTAKALLRSLGSQAGPALGWRDTWAFVGRKGGPVFGEKHSKSPALSSWGDPVLLKTDVPLSSAE +>6h49.A +GMEGAGQMAELPTHYGTIIKTLRKYMKLTQSKLSERTGFSQNTISNHENGNRNIGVNEIEIYGKGLGIPSYILHRISDEFKEKGYSPTLNDFGKFDKMYSYVNKAYYNDGDIYYSSYDLYDETIKLLELLKESKINVNDIDYDYVLKLYKQILSTDT +>2hng.A +SNAMNLKREQEFVSQYHFDARNFEWENENGAPETKVDVNFQLLQHDQENQVTSLIVILSFMIVFDKFVISGTISQVNHIDGRIVNEPSELNQEEVETLARPCLNMLNRLTYEVTEIALDLPGINLEF +>3nqi.A +GMDSGESGPQQWAGVVKVNDRMGYVTFTDAAGTELIPTNTIPVTLNARMAYIYCQVDEGQDLSTNPKSIKITLLADPTGIDATAITTPKVGESGDVTTNAPVGSLSFVSGYSTVAPFQFSENTIVLPVLYRVKNVTTTEDIKNELAKHTFTLVCYTDDIKSGDTILKLYLRYKVEDEPAAIAERATRTSSFKAYEISQILREYTLKSGQTKPAKITIVAQQNEYNNKLEDTSTIEKVYEIEYKTAE +>1ail.A +MDSNTVSSFQVDCFLWHVRKQVVDQELGDAPFLDRLRRDQKSLRGRGSTLGLNIEAATHVGKQIVEKILKEED +>1vbi.A +MRWRADFLSAWAEALLRKAGADEPSAKAVAWALVEADLRGVGSHGLLRLPVYVRRLEAGLVNPSPTLPLEERGPVALLDGEHGFGPRVALKAVEAAQSLARRHGLGAVGVRRSTHFGMAGLYAEKLAREGFVAWVTTNAEPDVVPFGGREKALGTNPLAFAAPAPQGILVADLATSESAMGKVFLAREKGERIPPSWGVDREGSPTDDPHRVYALRPLGGPKGYALALLVEVLSGVLTGAGVAHGIGRMYDEWDRPQDVGHFLLALDPGRFVGKEAFLERMGALWQALKATPPAPGHEEVFLPGELEARRRERALAEGMALPERVVAELKALGERYGVPWRDDA +>3mqz.A +SNAMSVQTIERLQDYLLPEWVSIFDIADFSGRMLRIRGDIRPALLRLASRLAELLNESPGPRPWYPHVASHMRRRVNPPPETWLALGPEKRGYKSYAHSGVFIGGRGLSVRFILKDEAIEERKNLGRWMSRSGPAFEQWKKKVGDLRDFGPVHDDPMADPPKVEWDPRVFGERLGSLKSASLDIGFRVTFDTSLAGIVKTIRTFDLLYAEAEKGS +>4xb6.E +MHADTATRQHWMSVLAHSQPAELAARLNALNITADYEVIRAAETGLVQIQARMGGTGERFFAGDATLTRAAVRLTDGTLGYSWVQGRDKQHAERCALIDALMQQSRHFQNLSETLIAPLDADRMARIAARQAEVNASRVDFFTMVRGDNA +>5gof.A +GPHMGGSMAEPVSPLKHFVLAKKAITAIFDQLLEFVTEGSHFVEATYKNPELDRIATEDDLVEMQGYKDKLSIIGEVLSRRHMKVAFFGRTSSGKSSVINAMLWDKVLPSGIGHITNCFLSVEGTDGDKAYLMTEGSDEKKSVKTVNQLAHALHMDKDLKAGCLVRVFWPKAKCALLRDDLVLVDSPGTDVTTELDSWIDKFCLDADVFVLVANSESTLMNTEKHFFHKVNERLSKPNIFILNNRWDASASEPEYMEDVRRQHMERCLHFLVEELKVVNALEAQNRIFFVSAKEVLSARKQKAQGMPESGVALAEGFHARLQEFQNFEQIFEECISQSAVKTKFEQHTIRAKQILATVKNIMDSVNLAAEDKRHYSARLPKEIDQLEKIQNNSKLLRNKAVQLENELENFTKQFLPSSNEES +>2vlf.B +MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI +>1j77.A +MSETENQALTFAKRLKADTTAVHDSVDNLVMSVQPFVSKENYIKFLKLQSVFHKAVDHIYKDAELNKAIPELEYMARYDAVTQDLKDLGEEPYKFDKELPYEAGNKAIGWLYCAEGSNLGAAFLFKHAQKLDYNGEHGARHLAPHPDGRGKHWRAFVEHLNALNLTPEAEAEAIQGAREAFAFYKVVLRETFGLAADAEAPEGMMPHRH +>4fch.B +GHMASTSSLTPPKTMFIVGSMLDTDWKVWKPMAGVYGMDGQFYSMIYFDANSEFKFGTKENEYIGINDNRVTVTDKAGAGVSGSDNFVVENAGWYLFYVKAAVKGDDYQFTITFYPAEVYLFGNTTGGSWAFNDEWKFTVPATKDGNFVSPAMTASGEVRMCFKTDLDWWRTEFTLHDGEIFYRDFNLIDSWTEKGDGYSIQGSAGNVIHLNFTAGTGEKK +>1vyi.A +WSATNEEDDLSVEAEIAHQIAESFSKKYKFPSRSSGIFLYNFEQLKMNLDDIVKEAKNVPGVTRLAHDGSKIPLRCVLGWVALANSKKFQLLVEADKLSKIMQDDLNRYTSC +>7aqx.A +AAEKGFKQAFWQPLCQVSEELDDQPKGALFTLQAAASKIQKMRDAALRASIYAEINHGTNRAKAAVIVANHYAMKADSGLEALKQTLSSQEVTATATASYLKGRIDEYLNLLLQTKESGTSGCMMDTSGTNTVTKAGGTIGGVPCKLQLSPIQPKRPAATYLGKAGYVGLTRQADAANNFHDNDAECRLASGHNTNGLGKSGQLSAAVTMAAGYVTVANSQTAVTVQALDALQEASGAAHQPWIDAWKAKKALTGAETAEFRNETAGIAGKTGVTKLVEEALLKKKDSEASEIQTELKKYFSGHENEQWTAIEKLISEQPVAQNLVGDNQPTKLGELEGNAKLTTILAYYRMETAGKFEVLTQK +>2rji.A +DDSTTKELIKKLAEINKCENEISAKYCDHMIHEEIPLKTCTKEKTRNLCCAVSDYCMSYFTYDSEEYYDCTKREFDDPSYTCFR +>1mlw.A +MESVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFRELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYN +>1g2r.A +GSHMKTRKIPLRKSVVSNEVIDKRDLLRIVKNKEGQVFIDPTGKANGRGAYIKLDNAEALEAKKKKVFNRSFSMEVEESFYDELIAYVDHKVKRRELGLE +>2qq4.B +MSVLDELYREILLDHYQSPRNFGVLPQATKQAGGMNPSCGDQVEVMVLLEGDTIADIRFQGQGCAISTASASLMTEAVKGKKVAEALELSRKFQAMVVEGAPPDPTLGDLLALQGVAKLPARVKCATLAWHALEEALR +>2uxy.A +MRHGDISSSNDTVGVAVVNYKMPRLHTAAEVLDNARKIAEMIVGMKQGLPGMDLVVFPEYSLQGIMYDPAEMMETAVAIPGEETEIFSRACRKANVWGVFSLTGERHEEHPRKAPYNTLVLIDNNGEIVQKYRKIIPWCPIEGWYPGGQTYVSEGPKGMKISLIICDDGNYPEIWRDCAMKGAELIVRCQGYMYPAKDQQVMMAKAMAWANNCYVAVANAAGFDGVYSYFGHSAIIGFDGRTLGECGEEEMGIQYAQLSLSQIRDARANDQSQNHLFKILHRGYSGLQASGDGDRGLAECPFEFYRTWVTDAEKARENVERLTRSTTGVAQCPVGRLPYEG +>4z3x.A +MRYAETGYVLEVDLTKGSIERVATDPRDTELYLGGLGTNAKILWDRVPPEVEPFSPENLLIFAAGLLCGTPATGCNRTIVSTVSPQTKLMAFSMMGGFWAPELKYAGYDKIIFRGKSPELVYLYINNDKVEIRDASHLKGKGAIETAEIIKKELNEPRAQVAAIGKAGENRVFYASIEQGRSSASRGGIGAVMGDKGLKAVVVRGTKDLCVAKPEEYIGLCNEVLDYIKHREENPIPDVMPILAGLGSPQEMKVHDEKWHTENFNWGNARTRRKDFWTDEVSHAWEKTMDKARTRLISCYNCPMKCGATISMEGLPTYMMKCFTKLTYTMAAYSDLDFGLRIAQKATEYGLDGFSAPQVMAFAFELLEKGILKDSDFPGLPEGNEERFFYLLDKIVNRDGIGDILANGTYWAAQEIGNGAEDYAHNNIKKHEQLPLKLSMLNPIYYLMYCTGEKINITQIEGQFPQAPYPKLEQREAFVEDWIQVPDEKFKKIFLEWEPRGEKSMPNFPTVDMCCDIVDWQEMMHYIDDALGQCAGLSSFPLKPPYHIHNYPKFIAAGAGIEMDTEKLKKAAKRYRTLVRAFNIRRGMRRVDEQPPANHWKNRFPELEKELLDSYYKLKGWNDDGIPTKETLDDLGLGYVGDEFIKRGILSAG +>4qmd.A +DDSFPIAGIYDTTTDNKCSIKTAVAKNMLDPITGQKLLEAQAATGGIVDLLSRERYSVHKAMERGLIENTSTQRLLNAQKAFTGIEDPVTKKRLSVGEAVQKGWMPRESVLPHLQVQHLTGGLIDPKRTGRIPIQQALLSGMISEELAQLLQDESSYEKDLTDPISKERLSYKEAMGRCRKDPLSGLLLLPAA +>3fp5.A +SHMSKAKFDKAVEIVQSLPKDGPIKPTQDEQLYFYKYFKQATVGDVNISRPGLMDFTGKAKWDAWKSVEGTSKEVAYQKYVEKLLEILKKADTEESKKYIAEIEAA +>2rci.A +TVPSSDITNFNEIFYVEPQYIAQAIRLTNTFQGAIDPLTLNFNFEKALQIANGLPNAGVTGTINQSVIHQTIEVSVMISQIKEIIRSVLGLVINSANFWNSVVSAITNTFTNLEPQVDENWIVWRNLSATQTSYFYKILFSIQNEDTGRFMAILPIAFEITVDVQKQQLLFITIKDSARYEVKMKALTVVQALDSYNAPIIDVF +>2b0t.A +MAKIIWTRTDEAPLLATYSLKPVVEAFAATAGIEVETRDISLAGRILAQFPERLTEDQKVGNALAELGELAKTPEANIIKLPNISASVPQLKAAIKELQDQGYDIPELPDNATTDEEKDILARYNAVKGSAVNPVLREGNSDRRAPIAVKNFVKKFPHRMGEWSADSKTNVATMDANDFRHNEKSIILDAADEVQIKHIAADGTETILKDSLKLLEGEVLDGTVLSAKALDAFLLEQVARAKAEGILFSAHLKATMMKVSDPIIFGHVVRAYFADVFAQYGEQLLAAGLNGENGLAAILSGLESLDNGEEIKAAFEKGLEDGPDLAMVNSARGITNLHVPSDVIVDASMPAMIRTSGHMWNKDDQEQDTLAIIPDSSYAGVYQTVIEDCRKNGAFDPTTMGTVPNVGLMAQKAEEYGSHDKTFRIEADGVVQVVSSNGDVLIEHDVEANDIWRACQVKDAPIQDWVKLAVTRSRLSGMPAVFWLDPERAHDRNLASLVEKYLADHDTEGLDIQILSPVEATQLSIDRIRRGEDTISVTGNVLRDYNTDLFPILELGTSAKMLSVVPLMAGGGLFETGAGGSAPKHVQQVQEENHLRWDSLGEFLALAESFRHELNNNGNTKAGVLADALDKATEKLLNEEKSPSRKVGEIDNRGSHFWLTKFWADELAAQTEDADLAATFAPVAEALNTGAADIDAALLAVQGGATDLGGYYSPNEEKLTNIMRPVAQFNEIVDALKK +>2y1y.A +GAMEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISREFHRKYRIPADVDPLTITSSMSSDGVLTVNGPRKQVSGPER +>3h8t.A +DEPNQPSTPEAVTKTVTIDASKYETWQYFSFSKGEVVNVTDYKNDLNWDMALHRYDVRLNCGESGKGKGGAVFSGKTEMDQATTVPTDGYTVDVLGRITVKYEMGPDGHQMEYEEQGFSEVITGKKNAQGFASGGWLEFSHGPAGPTYKLSKRVFFVRGADGNIAKVQFTDYQDAELKKGVITFTYTYPVK +>7c45.A +TSSATSSSSMILKYPYRVVDTHEKLKEAVTSLQGARSIALDIEAFCTTDQAKQLGRISLVQACSDAKPVVFLFDVLTLTPDVFVKDMQSLLSDREIRKLFFDCRRDVEALSCQLGVKPEGVLDLQVFFTAIQWKLRSVNRRSGMGYVLKSVAGLTRQEGDSAVQTAMTLGNRPVWDIRPLPDHFLEYAAGDVRHILLLSNYLVGNKDVPVDVVAVERLTAQYVEHYAVGKPVITEADATPAEVNRAWLERYIGPGGGCHFCGAKGHTEAECFKKQNGKAKCSFCGEVGHTARNCFKKHPQLL +>1upt.D +MGEPTEFEYLRKVLFEYMMGRETKTMAKVITTVLKFPDDQTQKILEREDARLMSWLRSSS +>5ltj.A +MATTAKQAEAVEDSDINPWTGQRHSERYFKILKARRKLPVNKQRQEFLDLYHNNQILVFVGETGSGKTTQIPQYVLYDELPHQTGKLIACTQPRRVAAMSVAQRVADELDVKLGEEVGYSIRFENKTSSKTLLKYMTDGQLLREAMHDRDMSRYSCIILDEAHERTLATDILMALLKQLSERRKDLKIIVMSATLDAQKFQSYFFNAPLLAVPGRTHPVEIFYTPEAERDYVEAAIRTVLQIHACEPEGDILLFLTGEEEIEDACRRISLEVDEMIRESDAGPMSVYPLYGTLPPHQQQRIFEKAPQPFRPGGRPGRKCIVATNIAETSLTIDGIVYVVDPGFSKQKIYNPRTRVESLLVSPISKASAQQRAGRAGRTRPGKCFRLYTEEAFKKELIEQTYPEILRSNLSNTVLELKKLGVEDLVHFDLMDPPAPETMMRALEELNYLACLDDDGELTPLGNLASEFPLDPALAVMLISSPEFYCSNEILSITSLLSVPQIWVRPANARKRADEMKAQFAHPDGDHLTLLNAYHAYKGAEARGEDMKKWCHEHFLSYRHLSSADNVRAQLKKIMETHGIELVSTPFHDKNYYTNIRRALLAGFFMQVAMRESSNSKVYKTVKDEQLVLIHPSTTVTTPYEWVVYNEFVLTTKQYVRTVTNIRPEWLLEIAPVYYDLSTFQKGEIKNALTRVAEKIRRQQAMKASKAWSHPQFEK +>2xeu.A +GAMVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI +>1dci.C +AYESIQVTSAQKHVLHVQLNRPEKRNAMNRAFWRELVECFQKISKDSDCRAVVVSGAGKMFTSGIDLMDMASDILQPPGDDVARIAWYLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISACDIRYCTQDAFFQVKEVDVGLAADVGTLQRLPKVIGNRSLVNELTFTARKMMADEALDSGLVSRVFPDKDVMLNAAFALAADISSKSPVAVQGSKINLIYSRDHSVDESLDYMATWNMSMLQTQDIIKSVQAAMEKKDSKSITFSKL +>3lyy.A +THATSTETIHYVNEDGDQVFEDGGGKLDFTRTVTIDDVTNEVVEYGEWTPVTDDEFAAVTSPDKDGYTPDTSEVAAQKPDMTDGPDGTVKDVEVTVTYTANPAVATI +>4lim.A +GANGPSSSDMEYYYKSLYPFKHIFNWLNHSPKPSRDMINREFAMAFRSGAYKRYNSFNSVQDFKAQIEKANPDRFEIGAIYNKPPRERDTLLKSELKALEKELVFDIDMDDYDAFRTCCSGAQVCSKCWKFISLAMKITNTALREDFGYKDFIWVFSGRRGAHCWVSDKRARALTDVQRRNVLDYVNVIRDRNTDKRLALKRPYHPHLARSLEQLKPFFVSIMLEEQNPWEDDQHAIQTLLPALYDKQLIDSLKKYWLDNPRRSSKEKWNDIDQIATSLFKGPKQDSHIIKLRECKEDLVLMTLYPKLDVEVTKQTIHLLKAPFCIHPATGNVCVPIDESFAPEKAPKLIDLQTEMEKNNDVSLTALQPFINQFQAYVSSLLKNELGSVKR +>3d3y.A +SNAMSVQLVKGVNLHVIPTEKYKTVRLLVRFNTRLNHETITKRTLLSSLMETNSLNYPNQVKLSERLAELYGASFGIGVSKKGNQHWFNISMNIVNDHYLQDSQVLAEAVDFLKEIIFAPNIQAGQFEAETFQREKENLKAYLESIVEDKQTYASLALQSVYFNQSEDQKIPSFGTVAALAEETAASLAAYYQKMLAEDQVDIFVLGDVNEAELVPLFKQLPFTPREEGKAAIFYNQPIRNVIEERTEREVLAQSKLNLAYNTDIYYGDSYYFALQVFNGIFGGFPHSKLFMNVREKEHLAYYASSSIDTFRGFMTVQTGIDGKNRNQVLRLISTELENIRLGKIRELEIEQTKAMLKNQYILALDNAGAWLEKEYLNELMPQTMLTAEEWIARINAVTIPEIQEVAKRLELQAIFFLEGETEND +>5eqz.A +MAHHHHHHYVEEKKEIDSLMEDVLALVNDSSGGKFKDYKDKINELKENLKDIGNAELKEKLLNLQNSFQDKLAAKLAALKAAKNTIENITDKDQDISKRKIWSEAKLVGVTVPLLGSNTSGNGDKMSKNAVEQIDKVIKFLEEGTN +>4koq.A +MAEVSSPRFYVGHSIYKGKAALTIEPRAPEFVALESGAFKLTKEGFLLLQFAPAAGVRQYDWSRKQVFSLSVTEIGNLVSLGPRESCEFFHDPFKGKGDEGKVRKVLKVEPLPDGSGRFFNLSVQNKLLNVDESVYIPITKAEFAVLISAFNFVLPHLIGWSAFANSIKAAALEHHHHHH +>4q0y.A +GRMEISSLSSIDVFKFNSFSKFSNDKIGVIYDEEKLSKFKVIMNSLDTSEGIKKIEVPKDANIESFKYSYHIQPNLKYVEDNNVYDGYFLLYILVGDSEGKSYIIFSGTELSYVLDKNNTNILKEIFLNVKKQQ +>2gke.A +MQFSKMHGLGNDFVVVDGVTQNVFFTPETIRRLANRHCGIGFDQLLIVEAPYDPELDFHYRIFNADGSEVSQCGNGARCFARFVTLKGLTNKKDISVSTQKGNMVLTVKDDNQIRVNMGEPIWEPAKIPFTANKFEKNYILRTDIQTVLCGAVSMGNPHCVVQVDDIQTANVEQLGPLLESHERFPERVNAGFMQIINKEHIKLRVYERGAGETQACGSGACAAVAVGIMQGLLNNNVQVDLPGGSLMIEWNGVGHPLYMTGEATHIYDGFITL +>3jz9.A +GHMVTRIENLENAKKLWDNANSMLEKGNISGYLKAANELHKFMKEKNLKEDDLRPELSDKTISPKGYAILQSLWGAASDYSRAAATLTESTVEPGLVSAVNKMSAFFMDCKLSPNERATPDPDFKVGKSKILVGIMQFIKDVADPTSKIWMHNTKALMNHKIAAIQKLERSNNVNDETLESVLSSKGENLSEYLSYK +>1mk0.A +MKSGIYQIKNTLNNKVYVGSAKDFEKRWKRHFKDLEKGCHSSIKLQRSFNKHGNVFECSILEEIPYEKDLIIERANFWIKELNSKINGYNIADATFG +>4b6i.D +GHMENSLNALSQEALYKNWLTSRCIGKSTDSERTKQDAFRSASAYLELSKLPMDAFEQGEKLAEQYANKNSQGSVQGTYHTLDCLSLQNASEAETIFERYSK +>1fxo.G +MKRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTETVY +>2qsa.A +SNAVGFAPELYCGLENCYDVLEVNREEFDKQKLAKAYRALARKHHPDRVKNKEEKLLAEERFRVIATAYETLKDDEAKTNYDYYLDHPDQRFYNYYQYYRLRAAPKVDL +>3klr.A +SVRKFTEKHEWVTTENGVGTVGISNFAQEALGDVVYCSLPEVGTKLNKQEEFGALESVKAASELYSPLSGEVTEINKALAENPGLVNKSCYEDGWLIKMTFSNPSELDELMSEEAYEKYIKSIEE +>1ab1.A +TTCCPSIVARSNFNVCRLPGTSEAICATYTGCIIIPGATCPGDYAN +>3msu.B +SNAMEVMLMSKYATLKYADKNIEIELPVYSPSLGNDCIDVSSLVKHGIFTYDPGFMSTAACESKITYIDGGKGVLLHRGYPIEEWTQKSNYRTLCYALIYGELPTDEQVKSFRQEIINKMPVCEHVKAAIAAMPQHTHPMSSLIAGVNVLAAEHIHNGQKESQDEVAKNIVAKIATIAAMAYRHNHGKKFLEPKMEYGYAENFLYMMFADDESYKPDELHIKAMDTIFMLHADHEQNASTSTVRLSGSTGNSPYAAIIAGITALWGPAHGGANEAVLKMLSEIGSTENIDKYIAKAKDKDDPFRLMGFGHRVYKNTDPRATAMKKNCEEILAKLGHSDNPLLTVAKKLEEIALQDEFFIERKLFSNVDFYSGIILKAMGIPEDMFTAIFALARTSGWISQWIEMVNDPAQKIGRPRQLYTGATNRNF +>3fo8.D +AVDRDTAKNSSPIAGNIEYTISTPGSNYAVGDKITVKYVSDDIETEGKITEVDADGKIKKINIPTAKIIAKAKEVGEYPTLGSNWTAEISSSSSGLAAVITLGKIITDSGILLAEIENAEAAMTAVDFQANLKKYGIPGVVALYPGELGDKIEIEIVSKADYAKGASALLPIYPGGGTRASTAKAVFGYGPQTDSQYAIIVRRNDAIVQSVVLSTKRGGKDIYDSNIYIDDFFAKGGSEYIFATAQNWPEGFSGILTLSGGLSSNAEVTAGDLMEAWDFFADR +>4iu3.B +MGSSNTVTSAVKTQYVEIESVDGFYFNTEDKFDTAQIKKAVLHTVYNEGYTGDDGVAVVLREYESEPVDITAELTFGDATPANTYKAVENKFDYEIPVYYNNATLKDAEGNDATVTVYIGLKGDTDLNNIVDGRDATATLTYYAATSTDGKDATTVALSPSTLVGGNPESVYDDFSAFLSDVKVDAGKELTRFAKKAERLIDGRDASSILTFYTKSSVDQYKDMAANEPNKLWDIVTGDAEEE +>1u07.A +ASGPRALSRNQPQYPARAQALRIEGQVKVKFDVTPDGRVDNVQILSAKPANMFEREVKNAMRRWRYEPGKPGSGIVVNILFKINGTTEIQ +>3hvv.A +SQTVHFQGNPVTVANSIPQAGSKAQTFTLVAKDLSDVTLGQFAGKRKVLNIFPSIDTGVSAASVRKFNQLATEIDNTVVLCISADLPFAQSRFCGAEGLNNVITLSTFRNAEFLQAYGVAIADGPLKGLAARAVVVIDENDNVIFSQLVDEITTEPDYEAALAVLKA +>4ubp.C +MKINRQQYAESYGPTVGDEVRLADTDLWIEVEKDYTTYGDEVNFGGGKVLREGMGENGTYTRTENVLDLLLTNALILDYTGIYKADIGVKDGYIVGIGKGGNPDIMDGVTPNMIVGTATEVIAAEGKIVTAGGIDTHVHFINPDQVDVALANGITTLFGGGTGPAEGSKATTVTPGPWNIEKMLKSTEGLPINVGILGKGHGSSIAPIMEQIDAGAAGLKIHEDWGATPASIDRSLTVADEADVQVAIHSDTLNEAGFLEDTLRAINGRVIHSFHVEGAGGGHAPDIMAMAGHPNVLPSSTNPTRPFTVNTIDEHLDMLMVCHHLKQNIPEDVAFADSRIRPETIAAEDILHDLGIISMMSTDALAMGRAGEMVLRTWQTADKMKKQRGPLAEEKNGSDNFRLKRYVSKYTINPAIAQGIAHEVGSIEEGKFADLVLWEPKFFGVKADRVIKGGIIAYAQIGDPSASIPTPQPVMGRRMYGTVGDLIHDTNITFMSKSSIQQGVPAKLGLKRRIGTVKNCRNIGKKDMKWNDVTTDIDINPETYEVKVDGEVLTCEPVKELPMAQRYFLF +>4s39.A +MEGMRRPTPTVYVGRVPIGGAHPIAVQSMTNTPTRDVEATTAQVLELHRAGSEIVRLTVNDEEAAKAVPEIKRRLLAEGAEVPLVGDFHFNGHLLLRKYPKMAEALDKFRINPGTLGRGRHKDEHFAEMIRIAMDLGKPVRIGANWGSLDPALLTELMDRNARRPEPKSAHEVVLEALVESAVRAYEAALEMGLGEDKLVLSAKVSKARDLVWVYRELARRTQAPLHLGLTEAGMGVKGIVASAAALAPLLLEGIGDTIRVSLTPAPGEPRTKEVEVAQEILQALGLRAFAPEVTSCPGCGRTTSTFFQELAEEVSRRLKERLPEWRARYPGVEELKVAVMGCVVNGPGESKHAHIGISLPGAGEEPKAPVYADGKLLTILKGEGIAEEFLRLVEDYVKTRFAPKA +>6gus.A +QIQKAEQNDVKLAPPTDVRSGYIRLVKNVNYYIDSESIWVDNQEPQIVHFDAVVNLDKGLYVYPEPKRYARSVRQYKILNCANYHLTQVRTDFYDEFWGQGLRAAPKKQKKHTLSLTPDTTLYNAAQIICANYGEAFSVDKKKLAAALEHHHHHH +>4d71.A 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+SNPFAHLAEPLDPVQPGKKFFNLNKLEDSRYGRLPFSIRVLLEAAIRNCDEFLVKKQDIENILHWNVTQHKNIEVPFKPARVILQDFTGVPAVVDFAAMRDAVKKLGGDPEKINPVCPADLVIDHSIQVDFNRRADSLQKNQDLEFERNRERFEFLKWGSQAFHNMRIIPPGSGIIHQVNLEYLARVVFDQDGYYYPDSLVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATAAFFPVDEVSITYLVQTGRDEEKLKYIKKYLQAVGMFRDFNDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPEHHNDHKTFIYDNTEFTLAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGLNVMPYIKTSLSPGSGVVTYYLQESGVMPYLSQLGFDVVGYGCMTCIGNSGPLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEKEPLGVNAKGQQVFLKDIWPTRDEIQAVERQYVIPGMFKEVYQKIETVNESWNALATPSDKLFFWNSKSTYIKSPPFFENLTLDLQPPKSIVDAYVLLNLGDSVTTDHISPAGNIARNSPAARYLTNRGLTPREFNSYGSRRGNDAVMARGTFANIRLLNRFLNKQAPQTIHLPSGEILDVFDAAERYQQAGLPLIVLAGKEYGAGSSRDWAAKGPFLLGIKAVLAESYERIHRSNLVGMGVIPLEYLPGENADALGLTGQERYTIIIPENLKPQMKVQVKLDTGKTFQAVMRFDTDVELTYFLNGGILNYMIRKMAK +>3v3l.A +GNGEYAWYYEGRNGWWQYDERTSRELEDAFSKGKKNTEMLIAGFLYVADLENMVQYRRNEHGRRRKIKRDIIDIPKKGVAGLRLD +>3ga3.A 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+GPVDPAEYDAVWSAWRRAAPAEESRGRAAVVQKMRACLNNGNAVLNVGESGLTTLPDCLPAHITTLVIPDNNLTSLPALPPELRTLEVSGNQLTSLPVLPPGLLELSIFSNPLTHLPALPSGLCKLWIFGNQLTSLPVLPPGLQELSVSDNQLASLPALPSELCKLWAYNNQLTSLPMLPSGLQELSVSDNQLASLPTLPSELYKLWAYNNRLTSLPALPSGLKELIVSGNRLTSLPVLPSELKELMVSGNRLTSLPMLPSGLLSLSVYRNQLTRLPESLIHLSSETTVNLEGNPLSERTLQALREITSAPGYSGPIIRFDMAGASAPRETRALHLAAADWLVPAREGEPAPADRWHMFGQEDNADAFSLFLDRLSETENFIKDAGFKAQISSWLAQLAEDEALRANTFAMATEATSSCEDRVTFFLHQMKNVQLVHNAEKGQYDNDLAALVATGREMFRLGKLEQIAREKVRTLALVDEIEVWLAYQNKLKKSLGLTSVTSEMRFFDVSGVTVTDLQDAELQVKAAEKSEFREWILQWGPLHRVLERKAPERVNALREKQISDYEETYRMLSDTELRPSGLVGNTDAERTIGARAMESAKKTFLDGLRPLVEEMLGSYLNV +>4rsw.B +RLTSKQTFASFQQWAEKAEALGRDTEIGIYMIYKRDTPDTTPMNAAEQEHYLETLQALDNKKNLIIRPQIHDDREEEELDLGRYIAEDRNARTGFFRMVPKDQRAPETNSGRLTIGVEPKYGAQLALAMATLMDKHKSVTQGKVVGPAKYGQQTDSAILYINGDLAKAVKLGEKLKKLSGIPPEGFVEHTPLSMQSTGLGLSYAESVEGQPSSHGQARTHVIMDALKGQGPMENRLKMALAERGYDPENPALRAR +>3n4i.B +AGVMTGAKFTQIQFGMTRQQVLDIAGAENCETGGSFGDSIHCRGHAAGDYYAYATFGFTSAAADAKVDSKSQEKLLAPSAPTLTLAKFNQVTVGMTRAQVLATVGQGSCTTWSEYYPAYPSTAGVTLSLSCFDVDGYSSTGFYRGSAHLWFTDGVLQGKRQWDLV +>3ikw.A +TAQTKNTQTLMPLTERVNVQADSARINQIIDGCWVAVGTNKPHAIQRDFTNLFDGKPSYRFELKTEDNTLEGYAKGETKGRAEFSYCYATSDDFRGLPADVYQKAQITKTVYHHGKGACPQGSSRDYEFSVYIPSSLDSNVSTIFAQWHGMPDRTLVQTPQGEVKKLTVDEFVELEKTTFFKKNVGHEKVARLDKQGNPVKDKNGKPVYKAGKPNGWLVEQGGYPPLAFGFSGGLFYIKANSDRKWLTDKDDRCNANPGKTPVMKPLTSEYKASTIAYKLPFADFPKDCWITFRVHIDWTVYGKEAETIVKPGMLDVRMDYQEQGKKVSKHIVDNEKILIGRNDEDGYYFKFGIYRVGDSTVPVCYNLAGYSER +>1ssq.D +MNLDVWQHIRQEAKELAENEPMLASFFHSTILKHQNLGGALSYLLANKLANPIMPAISLREIIEEAYQSNPSIIDCAACDIQAVRHRDPAVELWSTPLLYLKGFHAIQSYRITHYLWNQNRKSLALYLQNQISVAFDVDIHPAAKIGHGIMFDHATGIVVGETSVIENDVSILQGVTLGGTGKESGDRHPKVREGVMIGAGAKILGNIEVGKYAKIGANSVVLNPVPEYATAAGVPARIVSQDKAAKPAFDMNQYFIGIDDGMNLNI +>1oao.C +MTDFDKIFEGAIPEGKEPVALFREVYHGAITATSYAEILLNQAIRTYGPDHPVGYPDTAYYLPVIRCFSGEEVKKLGDLPPILNRKRAQVSPVLNFENARLAGEATWYAAEIIEALRYLKYKPDEPLLPPPWTGFIGDPVVRRFGIKMVDWTIPGEAIILGRAKDSKALAKIVKELMGMGFMLFICDEAVEQLLEENVKLGIDYIAYPLGNFTQIVHAANYALRAGMMFGGVTPGAREEQRDYQRRRIRAFVLYLGEHDMVKTAAAFGAIFTGFPVITDQPLPEDKQIPDWFFSVEDYDKIVQIAMETRGIKLTKIKLDLPINFGPAFEGESIRKGDMYVEMGGNRTPAFELVRTVSESEITDGKIEVIGPDIDQIPEGSKLPLGILVDIYGRKMQADFEGVLERRIHDFINYGEGLWHTGQRNINWLRVSKDAVAKGFRFKNYGEILVAKMKEEFPAIVDRVQVTIFTDEAKVKEYMEVAREKYKERDDRMRGLTDETVDTFYSCVLCQSFAPNHVCIVTPERVGLCGAVSWLDAKASYEINHAGPNQPIPKEGEIDPIKGIWKSVNDYLYTASNRNLEQVCLYTLMENPMTSCGCFEAIMAILPECNGIMITTRDHAGMTPSGMTFSTLAGMIGGGTQTPGFMGIGRTYIVSKKFISADGGIARIVWMPKSLKDFLHDEFVRRSVEEGLGEDFIDKIADETIGTTVDEILPYLEEKGHPALTMDPIM +>3gqh.A +DFAEYFESLGGQVIETGYLVTLEKGKIRKAEKGEKIIGVISETAGFVLGESSFEWQGAVLKNEFGGIIYEEVTTEDGVKFKRPLPNPDFDPNKNYIPRSQRREWHVVGLLGQIAVRIDETVKQGHSIDAVGGVATDGDNFIVQEITTPYTKEKGYGVAIVLVK +>1zpe.A +KPIEIIGAPFSKGCPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLAVIWVDAHTDINTPLTTSSGNLAGQPVAFLLKELKGKFPDVPGFSWVTPAISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSAFGTKREGNHKPETDYL +>4rr9.A +MRLLYLHADRFEYKTVKPALKNPPDPPGEASFGEALVVFTTVEDGDGPQTVMYAASDIASHSSRLKVTTVILYPYAHLSSRLAKPMAAHKRLIELEGALRTKFPGHVHRAPFGWYKSFSIACKGHPLAELSRSFTE +>5by8.B +RLPITVSKPTPYTFDLGHLLANDPNPLELPKSEPLNASLKATARDGVQSLLNQLLTTCPITSSQQGVLLTLPAPSTILPRHKPLP +>5dje.B +GSSCDFVADVPPPKKGTDYDFYEAWGPVFEAEARFSKKTPIPSLGNMDSSKKEVEQFYAFWHRFDSWRTFEFLDEDVPDDSSNRDHKRYIERKNKAARDKKKTADMARLVKLVERAVSEDPRIKMFKEEEKKEKERRKWE +>3dpg.B +PFTYSIEATRNLATTERCIQDIRNAPVRNRSTQFQLAQQNMLAYTFGEVIPGFASAGINGMDYRDVIGRPVENAVTEGTHFFRDDFRVDSNAKAKVAGDIFEIVSSAVMWNCAARWNSLMVGEGWRSQPRYSRPTLSPSPRRQVAVLNLPRSFDWVSLLVPESQEVIEEFRAGLRKDGLGLPTSTPDLAVVVLPEEFQNDEMWREEIAGLTRPNQILLSGAYQRLQGRVQPGEISLAVAFKRSLRSDRLYQPLYEANVMQLLLEGKLGAPKVEFEVHTLAPEGTNAFVTYEAASLYGLAEGRSAVHRAIRELYVPPTAADLARRFFAFLNERMELVNG +>1l5o.A +MQTLHALLRDIPAPDAEAMARTQQHIDGLLKPPGSLGRLETLAVQLAGMPGLNGTPQVGEKAVLVMCADHGVWDEGVAVSPKIVTAIQAANMTRGTTGVCVLAAQAGAKVHVIDVGIDAEPIPGVVNMRVARGCGNIAVGPAMSRLQAEALLLEVSRYTCDLAQRGVTLFGVGELGMANTTPAAAMVSVFTGSDAKEVVGIGANLPPSRIDNKVDVVRRAIAINQPNPRDGIDVLSKVGGFDLVGMTGVMLGAARCGLPVLLDGFLSYSAALAACQIAPAVRPYLIPSHFSAEKGARIALAHLSMEPYLHMAMRLGEGSGAALAMPIVEAACAMFHNMGELAASNIVLPEGNANAT +>5m1m.A +MAHEILIAETEAFLKNVAPETRTAIISAITGGKSACKSAAKLIKNEHLPLMSGEATTMHIVMRCLYPEIKPWKKASDMLNKATSSLKKSEGRDIRKQMKAAGDFLGVESMMKMRAFRDDQIMEMVEEVYDHPDDYTPDIRIGTITAWLRCKNKKS +>1yoc.B +AFMSQMMQMYQQVGPAQFSAMIGQFAPYFASIAPQFVELRPGYAEVTFPKRREVLNHIGTVHAIALCNAAELAAGTMTDASIPAGHRWIPRGMTVEYLAKATGDVRAVADGSQIDWQATGNLVVPVVAYVDDKPVFRAEITMYVSQA +>3hfw.A +MEKYVAAMVLSAAGDALGYYNGKWEFLQDGEKIHRQLAQLGGLDALDVGRWRVSDDTVMHLATAEALVEAGKAPKLTQLYYLLAKHYQDCMEDMDGRAPGGASVHNAMQLKPGKPNGWRIPFNSHEGGCGAAMRAMCIGLRFPHHSQLDTLIQVSIESGRMTHHHPTGYLGALASALFTAYAVNSRPPLQWGKGLMELLPEAKKYIVQSGYFVEENLQHWSYFQTKWENYLKLRGILDGESAPTFPESFGVKERDQFYTSLSYSGWGGSSGHDAPMIAYDAVLAAGDSWKELAHRAFFHGGDSDSTAAIAGCWWGVMYGFKGVSPSNYEKLEYRNRLEETARALYSLGSKEDTVISL +>4af1.A +MSEQDEVPSEDRRKYEFRKVIEELKDYEGSGTQLVTIYIPPDKQISDVVAHVTQEHSEASNIKSKQTRTNVQDALTSIKDRLRYYDTFPPDNGMVVFSGAVDSGGGRTDMVTEVLESPPQPIESFRYHCDSAFLTEPLAEMLGDKGLYGLIVLDRRESNVGWLKGKRVQPVKSAESLVPGKQRKGGQSAQRFARLRLEAIDNFYQEVAGMADDLFVPKRHEIDGILVGGPSPTKDEFLDGDYLHHELQDKVLGKFDVSYTDESGLSDLVDAGQAALAEADLMDDKSDMEEFFEELNGGKLATYGFEQTRRNLIMGSVDRLLVSEDLREDVVIYECPNDHEEYETIDRRNTSPEHTCSDCGEEATEVDREDAIDHLMSIADQRGTETHFISTDFEKGEQLLTAFGGYAGILRYSTGV +>2fb6.A +SNAMSANDKLTILWTTDNKDTVFNMLAMYALNSKNRGWWKHINIILWGASVKLVANDTQVQTEILEMLQSGITIEACQDCCENFGVASIITNLGITVRYMGIPLTEYLKNGEKILSI +>3mmh.B +MHALHFSASDKAALYREVLPQIESVVADETDWVANLANTAAVLKEAFGWFWVGFYLVDTRSDELVLAPFQGPLACTRIPFGRGVCGQAWAKGGTVVVGDVDAHPDHIACSSLSRSEIVVPLFSDGRCIGVLDADSEHLAQFDETDALYLGELAKILEKRFEASRQAV +>2xpp.A +MDPGTVLEISRSLKKRMQDILKKDNANNLEGRPATGKIENVEEISDILMSKALQESLLDEGILDEIKGWLEPLPDKSMPNIKIRKRLLDVLKTMKIHKEHLVTSGVGKIVYFYSINPKESKEVRASAKALVQKWTNEVFKPEGGD +>4gv2.A +SMKRVQPCSLDPATQKLITNIFSKEMFKNTMALMDLDVKKMPLGKLSKQQIARGFEALEALEEALKGPTDGGQSLEELSSHFYTVIPHNFGHSQPPPINSPELLQAKKDMLLVLADIELAQALQAVSEQEKTVEEVPHPLDRDYQLLKCQLQLLDSGAPEYKVIQTYLEQTGSNHRCPTLQHIWKVNQEGEEDRFQAHSKLGNRKLLWHGTNMAVVAAILTSGLRIMPHSGGRVGKGIYFASENSKSAGYVIGMKCGAHHVGYMFLGEVALGREHHINTDNPSLKSPPPGFDSVIARGHTEPDPTQDTELELDGQQVVVPQGQPVPCPEFSSSTFSQSEYLIYQESQCRLRYLLEVH +>1ptq.A +HRFKVYNYMSPTFCDHCGSLLWGLVKQGLKCEDCGMNVHHKCREKVANLC +>1whz.A +MWMPPRPEEVARKLRRLGFVERMAKGGHRLYTHPDGRIVVVPFHSGELPKGTFKRILRDAGLTEEEFHNL +>1j5u.A +MGSDKIHHHHHHMRKPIEHTADIAYEISGNSYEELLEEARNILLEEEGIVLDTEEKEKMYPLEETEDAFFDTVNDWILEISKGWAPWRIKREGNELKVTFRKIRKKEGTEIKALTYHLLKFERDGDVLKTKVVFDT +>5j47.A +GSHMEEPEETKQVSWKLVTQYALDTKCEDVFLLMGMYLNFQEAPAACAACAAADQPNHFNHHEKHYYNAQIFADSKNQKSICQQAVDTVAAKQRVDSLHMTREEMLVERFNFLLDKMDLIFGAHGNAVLEQYMAGVAWIHCLLPQMDTVIYEFLKCIVLNIPKKRYWLFKGPIDSGKTTLAAALLDLCGGKSLNVNMPLERLNFELGVGIDQFMVVFEDVKGTGAESRDLPSGHGISNLDCLRDYLDGSVKVNLERKHQNKRTQVFPPGIVTMNEYSVPRTLQARFVRQIDFRPKAYLRKSLSCSEYLLEKRILQSGMTLLLLLIWFRPVADFAAAIHERIVQWKERLDLEISMYTFSTMKANVGMGAPILD +>2hyv.A +NFDAERDALNIETAIKTKGVDEVTIVNILTNRSNAQRQDIAFAYQRRTKKELASALKSALSGHLETVILGLLKTPAQYDASELKASMKGLGTDEDSLIEIICSRTNQELQEINRVYKEMYKTDLEKDIISDTSGDFRKLMVALAKGRRAEDGSVIDYELIDQDARDLYDAGVKRKGTDVPKWISIMTERSVPHLQKVFDRYKSYSPYDMLESIRKEVKGDLENAFLNLVQCIQNKPLYFADRLYDSMKGKGTRDKVLIRIMVSRSEVDMLKIRSEFKRKYGKSLYYYIQQDTKGDYQKALLYLCGGDD +>3e2d.A +AEIKNVILMIGDGMGPQQVGLLETYANQAPNSIYKGNKTAIYQLAQEGVIGSSLTHPEDAIVVDSACSATMLATGIYSSSEVIGIDSQGNHVETVLEKAKKAGKATGLVSDTRLTHATPASFAAHQPHRSLENQIASDMLATGADVMLSGGLRHWIPKSTNDKGETYKQLEKLTQGDVYLKSKRKDDRNLLTEAEKDGYQLAFNRNMLDDAKGDKLLGLFAYSGMDDGIAYSNKKKSGERTQPSLKEMTQKALNILSKDEDGFFLMVEGGQIDWAGHSNDAGTMLHELLKFDEAIQTVYEWAKDREDTIVIVTADHETGSFGFSYSSNDLPKPQKRSGEAFADRDYAPNFNFGAFDILDGLYNQKQSYYGMISEFQKLDKSLQTPEKLAEIVNKNSEFPITAEQAKNVLASKPNPYRLAQHKYLSAEEVPAINDFDAFFPYNDRGNLLAREQATGQNIVWGTGTHTHTPVNVFAWGPAEKILPVSKIMHHSELGEYIKQQVN +>1ojq.A +AETKNFTDLVEATKWGNSLIKSAKYSSKDKMAIYNYTKNSSPINTPLRSANGDVNKLSENIQEQVRQLDSTISKSVTPDSVYVYRLLNLDYLSSITGFTREDLHMLQQTNNGQYNEALVSKLNNLMNSRIYRENGYSSTQLVSGAALAGRPIELKLELPKGTKAAYIDSKELTAYPGQQEVLLPRGTEYAVGSVKLSDNKRKIIITAVVFKK +>4cdp.A +MGSSHHHHHHGSMNHYTRWLELKEQNPGKYARDIAGLMNIREAELAFARVTHDAWRMHGDIREILAALESVGETKCICRNEYAVHEQVGTFTNQHLNGHAGLILNPRALDLRLFLNQWASVFHIKENTARGERQSIQFFDHQGDALLKVYATDNTDMAAWSELLARFITDENTPLELKAVDAPVVQTRADATVVEQEWRAMTDVHQFFTLLKRHNLTRQQAFNLVADDLACKVSNSALAQILESAQQDGNEIMVFVGNRGCVQIFTGVVEKVVPMKGWLNIFNPTFTLHLLEESIAEAWVTRKPTSDGYVTSLELFAHDGTQIAQLYGQRTEGEQEQAQWRKQIASLIPEGVAA +>2imf.A +MIVDFYFDFLSPFSYLANQRLSKLAQDYGLTIRYNAIDLARVKIAIGNVGPSNRDLKVKLDYLKVDLQRWAQLYGIPLVFPANYNSRRMNIGFYYSGAEAQAAAYVNVVFNAVWGEGIAPDLESLPALVSEKLGWDRSAFEHFLSSNAATERYDEQTHAAIERKVFGVPTMFLGDEMWWGNDRLFMLESAMGRLCRQNADLSS +>3rjs.A +MADRKAVIKNADMPEDLQQDAIDCANQALEKYNIEKDIAAFIKKEFDRKHNPTWHCVVGRNFGSYVTHETHHFIYFYIGQVAVLLFKSG +>4pz1.A +SMKQDQLIVEKMEQTYEAFSPKLANLIEALDAFKEHYEEYATLRNFYSSDEWFRLANQPWDDIPSGVLSEDLLFDMIGDHNQLAADIADLAPIMAKHM +>2oxl.B +NLLEEESAVLGQAVTNLMLSGDNVNNKNIILSLIHSLETTSDILKADVIRKTLEIVLRYTADDM +>2bko.A +MEEVEEFKYEPKSVKEIFIEMKDTVELMVDLAYASLLFGDKEIAEEVLELEERIDLLNYQLMMHSVLAARNVKEAEQVITILQIANAIEDISNAAGDLAKMVLEGVELHPVIKETILEGEEIIGKIQVYPESVIVGKTLGELDLATNTGVWIIAVRRGKRWIFGPNENFKIRAGDVLIGRGTRTSIDHLKEIARGAIRVIGNERA +>3c8w.C +GMDKYLSANSLEGVIDNEFSMPAPRWLNTYPAGPYRFINREFFIIAYETDPDLLQAILPPDMELLEPVVKFEFIRMPDSTGFGDYTESGQVVPVRYKGEEGGFTISMFLDCHAPIAGGREIWGFPKKLAKPKLFVEEDTLIGILKYGSIDIAIATMGYKHRPLDAEKVLESVKKPVFLLKNIPNVDGTPLVNQLTKTYLTDITVKGAWTGPGSLELHPHALAPISNLYIKKIVSVSHFITDLTLPYGKVVADYLA +>3p3g.A +MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFPADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEIPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYNGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYLQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCGHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDDAELPLAFKAP +>1lri.A +TACTASQQTAAYKTLVSILSDASFNQCSTDSGYSMLTAKALPTTAQYKLMCASTACNTMIKKIVTLNPPNCDLTVPTSGLVLNVYSYANGFSNKCSSL +>2ex2.A +MANVDEYITQLPAGANLALMVQKVGASAPAIDYHSQQMALPASTQKVITALAALIQLGPDFRFTTTLETKGNVENGVLKGDLVARFGADPTLKRQDIRNMVATLKKSGVNQIDGNVLIDTSIFASHDKAPGWPWNDMTQCFSAPPAAAIVDRNCFSVSLYSAPKPGDMAFIRVASYYPVTMFSQVRTLPRGSAEAQYCELDVVPGDLNRFTLTGCLPQRSEPLPLAFAVQDGASYAGAILKYELKQAGITWSGTLLRQTQVNEPGTVVASKQSAPLHDLLKIMLKKSDNMIADTVFRMIGHARFNVPGTWRAGSDAVRQILRQQAGVDIGNTIIADGSGLSRHNLIAPATMMQVLQYIAQHDNELNFISMLPLAGYDGSLQYRAGLHQAGVDGKVSAKTGSLQGVYNLAGFITTASGQRMAFVQYLSGYAVEPADQRNRRIPLVRFESRLYKDIYQNN +>2rdi.A +MIVLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLKGMIGEAKAKYLISLARDEYNEPIRTRVRKSIGRIVTMKRNSRNLEEIKPYLFRAIEESYYKLDKRIPKAIHVVAVTEDLDIVSRGRTFPHGISKETAYSESVKLLQKILEEDERKIRRIGVRFSKFIT +>2qwo.B +DPEKLKILEWIEGKERNIRALLSTMHTVLWAGETKWKPVGMADLVTPEQVKKVYRKAVLVVHPCKATGQPYEQYAKMIFMELNDAWSEFENQ +>2vnl.A +TDITANVVVSNPRPIFTESRSFKAVANGKIYIGQIDTDPVNPANQIPVYIENEDGSHVQITQPLIINAAGKIVYNGQLVKIVTVQGHSMAIYDANGSQVDYIANVLKWDPDQYSIEADKKFKQIEDKIEEILSKIYHIENEIARIKKLIGE +>4a1k.A +GMLTYQVKQGDTLNSIAADFRISTAALLQANPSLQAGLTAGQSIVIPGLPDPYTIPYHIAVSIGAKTLTLSLNNRVMKTYPIAVGKILTQTPTGEFYIINRQRNPGGPFGAYWLSLSAAHYGIHGTNNPASIGKAVSKGCIRMHNKDVIELASIVPNGTRVTINR +>3lpe.B +MRACLKCKYLTNDEICPICHSPTSENWIGLLIVINPEKSEIAKKAGIDIKGKYALSVKE +>2rbk.A +MTKALFFDIDGTLVSFETHRIPSSTIEALEAAHAKGLKIFIATGRPKAIINNLSELQDRNLIDGYITMNGAYCFVGEEVIYKSAIPQEEVKAMAAFCEKKGVPCIFVEEHNISVCQPNEMVKKIFYDFLHVNVIPTVSFEEASNKEVIQMTPFITEEEEKEVLPSIPTCEIGRWYPAFADVTAKGDTKQKGIDEIIRHFGIKLEETMSFGDGGNDISMLRHAAIGVAMGQAKEDVKAAADYVTAPIDEDGISKAMKHFGII +>3ho6.A +SEDNGVDFNKNTALDKNYLLNNKIPSNNVEEAGSKNYVHYIIQLQGDDISYEATCNLFSKNPKNSIIIQRNMNESAKSYFLSDDGESILELNKYRIPERLKNKEKVKVTFIGHGKDEFNTSEFARLSVDSLSNEISSFLDTIKLDISPKNVEVNLLGCNMFSYDFNVEETYPGKLLLSIMDKITSTLPDVNKNSITIGANQYEVRINSEGRKELLAHSGKWINKEEAIMSDLSSKEYIFFDSIDNKLKAKSKNIPGLASISEDIKTL +>6ypi.A +GSGSPLAQQIKNILSLIGQADAAGRMDEVRTLQLNLCQLMVEYFQQSDGDGGSPLAQQIQNIHSFGHQAWAAGRLDEVRRIQENLYQLMKEYFQQSD +>1fcz.A +SPQLEELITKVSKAHQETFPSLCQLGKYTTNSSADHRVQLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLSIADQITLLKAACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFAGQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVDKLQEPLLEALRLYARRRRPSQPYMFPRMLMKITDLRGISTKGAERAITLKMEIPGPMPPLIREMLE +>2i5u.A +SNAIRSIWENNGFGLMSSKTMTDFDYWISDFEKIGASQKEAEQLIVKAIEIAIDANARNYNYINAILKDWEQRGFKSVEEREA +>3ofg.B +GSHMSKKGQTLMLFVGVVDPSQPDRSDIRPFTEKWTQIWQSQLYNNHVDLQVFVIDDNRAIFMFKNGEQAFEAKKFLLKQEFVSEVTIEGQSFDG +>5nir.A +GSMAQEAGSCVQDGQRYNDKDVWKPEPCRICVCDTGTVLCDDIICEDVKDCLSPEIPFGECCPICPTDLATASG +>3b9q.A +EKVFSGFSKTRENLAVIDELLLFWNLAETDRVLDELEEALLVSDFGPKITVRIVERLREDIMSGKLKSGSEIKDALKESVLEMLAKKNSKTELQLGFRKPAVIMIVGVNGGGKTTSLGKLAHRLKNEGTKVLMAAGDTFRAAASDQLEIWAERTGCEIVVAEGDKAKAATVLSKAVKRGKEEGYDVVLCDTSGRLHTNYSLMEELIACKKAVGKIVSGAPNEILLVLDGNTGLNMLPQAREFNEVVGITGLILTKLDGSARGGCVVSVVEELGIPVKFIGVGEAVEDLQPFDPEAFVNAIFS +>1ugp.A +TENILRKSDEEIQKEITARVKALESMLIEQGILTTSMIDRMAEIYENEVGPHLGAKVVVKAWTDPEFKKRLLADGTEACKELGIGGLQGEDMMWVENTDEVHHVVVCTLCSCYPWPVLGLPPNWFKEPQYRSRVVREPRQLLKEEFGFEVPPSKEIKVWDSSSEMRFVVLPQRPAGTDGWSEEELATLVTRESMIGVEPAKAV +>2po4.A +ESTVTEELKEGIDAVYPSLVGTADSKAEGIKNYFKLSFTLPEEQKSRTVGSEAPLKDVAQALSSRARYELFTEKETANPAFNGEVIKRYKELMEHGEGIADILRSRLAKFLNTKDVGKRFAQGTEANRWVGGKLLNIVEQDGDTFKYNEQLLQTAVLAGLQWRLTATSNTAIKDAKDVAAITGIDQALLPEGLVEQFDTGMTLTEAVSSLAQKIESYWGLSRNPNAPLGYTKGIPTAMAAEILAAFVESTDVVENIVDMSEIDPDNKKTIGLYTITELDSFDPINSFPTAIEEAVLVNPTEKMFFGDDIPPVANTQLRNPAVRNTPEQKAALKAEQATEFYVHTPMVQFYETLGKDRILELMGAGTLNKELLNDNHAKSLEGKNRSVEDSYNQLFSVIEQVRAQSEDISTVPIHYAYNMTRVGRMQMLGKYNPQSAKLVREAILPTKATLDLSNQNNEDFSAFQLGLAQALDIKVHTMTREVMSDELTKLLEGNLKPAIDMMVEFNTTGSLPENAVDVLNTALGDRKSFVALMALMEYSRYLVAEDKSAFVTPLYVEADGVTNGPINAMMLMTGGLFTPDWIRNIAKGGLFIGSPNKTMNEHRSTADNNDLYQASTNALMESLGKLRSNYASNMPIQSQIDSLLSLMDLFLPDINLGENGALELKRGIAKNPLTITIYGSGARGIAGKLVSSVTDAIYERMSDVLKARAKDPNISAAMAMFGKQAASEAHAEELLARFLKDMETLTSTVPVKRKGVLELQSTGTGAKGKINPKTYTIKGEQLKALQENMLHFFVEPLRNGITQTVGESLVYSTEQLQKATQIQSVVLEDMFKQRVQEKLAEKAKDPTWKKGDFLTQKELNDIQASLNNLAPMIETGSQTFYIAGSENAEVANQVLATNLDDRMRVPMSIYAPAQAGVAGIPFMTIGTGDGMMMQTLSTMKGAPKNTLKIFDGMNIGLNDITDASRKANEAVYTSWQGNPIKNVYESYAKFMKNVDFSKLSPEALEAIGKSALEYDQRENATVDDIANAASLIERNLRNIALGVDIRHKVLDKVNLSIDQMAAVGAPYQNNGKIDLSNMTPEQQADELNKLFREELEARKQKVAK +>3l84.A +MNIQILQEQANTLRFLSADMVQKANSGHPGAPLGLADILSVLSYHLKHNPKNPTWLNRDRLVFSGGHASALLYSFLHLSGYDLSLEDLKNFRQLHSKTPGHPEISTLGVEIATGPLGQGVANAVGFAMAAKKAQNLLGSDLIDHKIYCLCGDGDLQEGISYEACSLAGLHKLDNFILIYDSNNISIEGDVGLAFNENVKMRFEAQGFEVLSINGHDYEEINKALEQAKKSTKPCLIIAKTTIAKGAGELEGSHKSHGAPLGEEVIKKAKEQAGFDPNISFHIPQASKIRFESAVELGDLEEAKWKDKLEKSAKKELLERLLNPDFNKIAYPDFKGKDLATRDSNGEILNVLAKNLEGFLGGSADLGPSNKTELHSMGDFVEGKNIHFGIREHAMAAINNAFARYGIFLPFSATFFIFSEYLKPAARIAALMKIKHFFIFTHDSIGVGEDGPTHQPIEQLSTFRAMPNFLTFRPADGVENVKAWQIALNADIPSAFVLSRQKLKALNEPVFGDVKNGAYLLKESKEAKFTLLASGSEVWLCLESANELEKQGFACNVVSMPCFELFEKQDKAYQERLLKGEVIGVEAAHSNELYKFCHKVYGIESFGESGKDKDVFERFGFSVSKLVNFILSK +>5txr.B +AAAAANHSTQESGFDYEGLIDSELQKKRLDKSYRYFNNINRLAKEFPLAHRQREADKVTVWCSNDYLALSKHPEVLDAMHKTIDKYGCGAGGTRNIAGHNIPTLNLEAELATLHKKEGALVFSSCYVANDAVLSLLGQKMKDLVIFSDELNHASMIVGIKHANVKKHIFKHNDLNELEQLLQSYPKSVPKLIAFESVYSMAGSVADIEKICDLADKYGALTFLDEVHAVGLYGPHGAGVAEHCDFESHRASGIATPKTNDKGGAKTVMDRVDMITGTLGKSFGSVGGYVAASRKLIDWFRSFAPGFIFTTTLPPSVMAGATAAIRYQRCHIDLRTSQQKHTMYVKKAFHELGIPVIPNPSHIVPVLIGNADLAKQASDILINKHQIYVQAINFPTVARGTERLRITPTPGHTNDLSDILINAVDDVFNELQLPRVRDWESQGGLLGVGESGFVEESNLWTSSQLSLTNDDLNPNVRDPIVKQLEVSSGIKQ +>3c0f.B +MEIMDEIKVNLQKEVSLEEAERYAKNIASKYGDGILLSVHDSKTGYRAPEVYCCGEKPWEVYACNRGANLKISVNQFEFYFRIEVEGQAKY +>2psp.B +QKPAACRCSRQDPKNRVNCGFPGITSDQCFTSGCCFDSQVPGVPWCFKPLPAQESEECVMQVSARKNCGYPGISPEDCAARNCCFSDTIPEVPWCFFPMSVEDCHY +>5w2f.A +GDIKPLYCVPASMTLLFQESGHKKGSFLEGSEVRTIVINYAKKNDLVDADNKNLVRLDPILCDCILEKNEQHTVMKLPWDSLLTRCLEKLQPAYQVTLPGQEPIVKKGRICPIDITLAQRASNKKVTVVRNLEAYGLDPYSVAAILQQRCQASTTVNPAPGAKDSLQVQIQGNQVHHLGWLLLEEYQLPRKHIQGLEKALKPGKKK +>2es9.A +MVNFKDKSMPTAIEKALDFIGGMNTSASVPHSMDESTAKGILKYLHDLGVPVSPEVVVARGEQEGWNPEFTKKVAGWAEKVASGNRILIKNPEYFSTYMQEQLKELVLEHHHHHH +>3lae.A +SNAIQQSDGSMIIDGSANLRDLNKMFNWELDTEDARTFNGLILEHLEEIPDEGTICEIDGLLITILEVGDNMIKQAKVVKL +>2i9w.A +GMLFSIQTCPCQINPALNAVSTPLLYQDCCQPYHDGLYNQEVEDSDAIRADTAEHLMRTRYSAFVLVKPEYIVKTTLPAQQDLLDIKAIENWAKETDWAGLEVVAHTPKLSKRHAQVEFKAYFKTPDGLQAHHELSTFVKIKNKANSDASWYFLDPTVSMSVTQKQPCICGSGEKFKRCCGMYI +>3vth.A +MVRGRVPQIQARQINIFGIVQGVGFRPFVFNIAQKYNLKGIVYNNSSGLYIEVEGEEKDIEAFIREIKENPPSLSVIDEIQVREVEVKEYKDFKIVGSKEDGGFVPVSPDMGVCEDCLRELKDPKDRRYRYPFINCTNCGPRFSIIEDIPYDRAKTSMKVFPMCEKCSREYHDPHDRRFHAQPVACFDCGPSLSFVGEGCFDDEIKCVAKALKEGKIVAIKGIGGFHLAVNALDDEAVATLRRRKKRYGKPFAVMMRDVEEVKKYCIVSPEEERLLLSQRRPIVLLKKKGEKLAKGIADDLDTLGVMLPYAPIHYLLMEEIDFPIVMTSGNVSEEPICKDNEEALEKLKDIADVFLLNNRDIVNRIDDSVTSFNAGAERIIRRARGYAPQPILLKKEVKASILAVGGFYKNTFCMTKGHYAFISHHIGDLDNEKAFNYYIEQIERYKKLFRVDPEVVAHDMHKGYLSTQYAKSLDLPKIEVQHHHAHIASCMAEHNLDEKVIGIAYDGTGYGTDGNVWGAEILVCDLKSFERIAHLKYKPLPGNELAIKKIYRTALGFIFDNISFYKNFVEQVDSRELDIILKQIDRKINTAYVSSMGRFFDAVAALIGVRKEVLFEGQAAMELESLMAESEEYYEYEILKEDRYVIDPELILRQIYEDYMKGFEKSYISAKFHNTVVNFTYDLANLIRKETGINKVVLSGGSFQNRYLLRRLIEKLSLSGFEVYSNSKVPCNDGGISLGQAVIANKILEGSAWSHPQFEK +>2oy9.B +MSLKTTLPISLDWSTEEVIDVVHFFQAIEQAYDQGIAREDLLGKYRRFKEIVPSKSEEKQLFRAYEQENDVSCYQTIKKAREEMEEHIQMEGHHHHHH +>2ysk.A +MSATGLEVFDRTLHKTHAWLKAIMEELGTEDRHKAYLALRAVLHALRDRLTVEEVAQLAAQLPMLVRGLYYEGWDPTGKPLKERHKEAFLAHVAEELKTPSGPAVDPEAATRAVFKVLSREISQGELEDVLGLLPKELRALWPQG +>1aol.A +QVYNITWEVTNGDRETVWAISGNHPLWTWWPVLTPDLCMLALSGPPHWGLEYQAPYSSPPGPPCCSGSSGSSAGCSRDCDEPLTSLTPRCNTAWNRLKLDQVTHKSSEGFYVCPGSHRPREAKSCGGPDSFYCASWGCETTGRVYWKPSSSWDYITVDNNLTTSQAVQVCKDNKWCNPLAIQFTNAGKQVTSWTTGHYWGLRLYVSGRDPGLTFGIRLRYQNLGPRVP +>1by2.A +APLAVNDGDMRLADGGATNQGRVEIFYRGQWGTVCDNLWDLTDASVVCRALGFENATQALGRAAFGQGSGPIMLDEVQCTGTEASLADCKSLGWLKSNCRHERDAGVVCTNETRSTHTL +>1sei.A +VMTDPIADMLTAIRNANMVRHEKLEVPASKIKREIAEILKREGFIRDYEYIEDNKQGILRIFLKYGPNERVITGLKRISKPGLRVYVKAHEVPRVLNGLGIAILSTSQGVLTDKEARQKGTGGEIIAYVI +>1wlg.B +GLDVAISQNGFFRLVDSNGSVFYSRNGQFKLDENRNLVNMQGMQLTGYPATGTPPTIQQGANPAPITIPNTLMAAKSTTTASMQINLNSTDPVPSKTPFSVSDADSYNKKGTVTVYDSQGNAHDMNVYFVKTKDNEWAVYTHDSSDPAATAPTTASTTLKFNENGILESGGTVNITTGTINGATAATFSLSFLNSMQQNTGANNIVATNQNGYKPGDLVSYQINNDGTVVGNYSNEQEQVLGQIVLANFANNEGLASQGDNVWAATQASGVALLGTAGSGNFGKLTNGALEASNVDLSK +>1ijt.A +GIKRLRRLYCNVGIGFHLQALPDGRIGGAHADTRDSLLELSPVERGVVSIFGVASRFFVAMSSKGKLYGSPFFTDECTFKEILLPNNYNAYESYKYPGMFIALGKNGKTKKGNRVSPTMKVTHFLPRL +>2ofz.A +MGSDKIHHHHHHNTASWFTALTQHGKEELRFPRGQGVPINTNSGPDDQIGYYRRATRRVRGGDGKMKELSPRWYFYYLGTGPEASLPYGANKEGIVWVATEGALNTPKDHIGTRNPNNNAATVLQLPQGTTLPKGFYA +>2dt4.A +MVTGMFSLGRTYLFRVPEGEELLTYIKNFCKKEGIETAIINGIGTLKNPKIGYFLEEKKEYKVIPLKGSYELISLIGNVSLKDGEPFVHAHVSLGNEEGIVFGGHLVEGEVFVAEIFLQELKGEKIERKPTKYGLALWEELKL +>2it2.B +MLLYMRFTENFERAKKEALMSLEIALRKGEVDEDIIPLLKKINSIENYFTTSSCSGRISVMEMPHFGDKVNAKWLGKWHREVSLYEVLEAIKKHRSGQLWFLVRSPILHVGAKTLEDAVKLVNLAVSCGFKYSNIKSISNKKLIVEIRSTERMDVLLGENGEIFVGEEYLNKIVEIANDQMRRFKEKLKRLESKINALNR +>4bgp.A +GMSDLVFYDVASTGANGFDPDAGYMDFCVKNAESLNLAAVRIFFLNAAKAKAALSRKPERKANPKFGEWQVEVINNHFPGNRNNPIGNNDLTIHRLSGYLARWVLDQYNENDDESQHELIRTTIINPIAESNGVGWDSGPEIYLSFFPGTEMFLETFKFYPLTIGIHRVKQGMMDPQYLKKALRQRYGTLTADKWMSQKVAAIAKSLKDVEQLKWGKGGLSDTAKTFLQKFGIRLP +>1vcl.A +QVLCTNPLDIGELRSFKSKQCVDIVGNQGSGNIATYDCDGLSDQQIIICGDGTIRNEARNYCFTPDGSGNANVMSSPCTLYPEIPSSQRWRQGRRKTFTDNGGIEQVATEIINLASGKCLDIEGSDGTGDIGVYDCQNLDDQYFYVRSRGPELFYGRLRNEKSDLCLDVEGSDGKGNVLMYSCEDNLDQWFRYYENGEIVNAKSGMCLDVEGSDGSGNVGIYRCDDLRDQMWSRPNAYCNGDYCSFLNKESNKCLDVSGDQGTGDVGTWQCDGLPDQRFKWVFDDWEVPTATWNMVGCDQNGKVSQQISNTISFSSTVTAGVAVEVSSTIEKGVIFAKATVSVKVTASLSKAWTNSQSGTTAITYTCDNYDSDEEFTRGCMWQLAIETTEVKSGDLLVWNPQIVKCTRSNTAPGCAPFTKCANEDCTFCTDI +>2aj7.A +MGSDKIHHHHHHMKVIETKYSGKLEVAEDRLIAFDQGIPAFEDEKEFVLLPFAAGTPYYTLQSTKTVDLAFIIVNPFSFFPEYRVKLPEATIAQLNITNENDVAIFSLLTVKEPFSETTVNLQAPIVINANKQMGKQLVLGDTAYNRKQPLFQKELVLAKEAK +>4yal.A +IQTTAPPVKESSFVEKMKKTGRNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDKSLVVFCMATYGEGDPTDNAQDFYDWLQETDVDLTGVKFAVFGLGNKTYEHFNAMGKYVDQRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWPAVCEFFGVEATGEESSIRQYELVVHEDMDVAKVYTGEMGRLKSYENQKPPFDAKNPFLAAVTANRKLNQGTERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQIGEILGADLDVIMSLNNLDEESNKKHPFPCPTTYRTALTYYLDITNPPRTNVLYELAQYASEPSEQEHLHKMASSSGEGKELYLSWVVEARRHILAILQDYPSLRPPIDHLCELLPRLQARYYSIASSSKVHPNSVHICAVAVEYEAKSGRVNKGVATSWLRAKEPAGENGGRALVPMFVRKSQFRLPFKSTTPVIMVGPGTGIAPFMGFIQERAWLREQGKEVGETLLYYGCRRSDEDYLYREELARFHKDGALTQLNVAFSREQAHKVYVQHLLKRDREHLWKLIHEGGAHIYVCGDARNMAKDVQNTFYDIVAEFGPMEHTQAVDYVKKLMTKGRYSLDVWS +>3frr.A +GHMLGSGFKAERLRVNLRLVINRLKLLEKKKTELAQKARKEIADYLAAGKDERARIRVEHIIREDYLVEAMEILELYCDLLLARFGLIQSMKELDSGLAESVSTLIWAAPRLQSEVAELKIVADQLCAKYSKEYGKLCRTNQIGTVNDRLMHKLSVEAPPKILVERYLIEIAKNYNVPYEPDSVVMAEAPP +>6ro6.A +MEGALPKGLSDLIADPTLGPQITPDWVRTLSRIELRGKRPRDKQDWYEIYLHLKRILS +>2y7b.A +VNSSVEERGFLTIFEDVSGFGAWHRRWCVLSGNCISYWTYPDDEKRKNPIGRINLANCTSRQIEPANREFCARRNTFELITVRPQREDDRETLVSQCRDTLCVTKNWLSADTKEERDLWMQKLNQVLVDIRLWQ +>3ezu.A +GMSGDILNDIVAACLELERKASSVFKMFAAHAGSDEARRFWETVADETRHHSAVYERLQERGGRENLPIIIYKPAETLEELEMIGKSIDEQVERYTEAPSSEAACLLGFRLQLYLLHPAFASLCRLTRDASGEDLPDIGYGRYLRRFIDGIGSCGLATAETELLGEALFRLWNEARQLAAQSHFDALTGVMTRAGFFKTVGSLAYAAQRSGSNVGIMLIDLDYFKLVGDNYGHQTGDRILQLVAETITSHLRRSDVVGRYDGDEFVVYLSPVEPASLRTVAENLRRSIEEESARMVPVTASIGVAQGILGTDVDGGIEELVRLADECLMQAKYTGKNKVVVK +>1l9l.A +GRDYRTCLTIVQKLKKMVDKPTQRSVSNAATRVCRTGRSRWRDVCRNFMRRYQSRVIQGLVAGETAQQICEDLR +>2oya.B +APLAQRVRIMGGTNRGRAEVYYNNEWGTICDDDWDNNDATVFCRMLGYSRGRALSSYGGGSGNIWLDNVNCRGTENSLWDCSKNSWGNHNCVHNEDAGVECS +>7mf4.A +QGRAILTDRYINRGTAFTMEERQKLHILGRLPPVVETLEEQVARVYGQVKKYEKPINRYQHLVSVHSTNTTLYYATILAHLEEMLPIIYTPTVGEACMEYSHLFFRERGVYFNRLYKGQFRNIMRDAGYQKVEVVVITDGSRILGLGDLGSNGIGISIGKCSLYVAGAGIDPRLIVPVILDVGTNNERYLQDKDYLGMREKRLGDEEFYELLDEFMEAASAEWPNAVIQFEDFSNNHCFDIMERYQKKYRCFNDDIQGTGAVIAAGFLNAIKLSGVSPLQQRIVVFGAGSAAVGVANNIAALAARMYKFPVQDLVKTFYLVDTKGLVTTTRGDQLAAHKKLLARTDVSAEDSAKLRTLEEIVRFVKPTTLLGLGGVGPAFTEEIVKMVMQNTERPIIFPLSNPTSKAEVTPENAYKWTNGAAIVASGSPFPPTTIGGKTFKPSQGNNLYVFPGVGLGCALAQPTHIPEELLLTASESLNLLTTEGDLREGRLYPPLEDIHNISANVATDVILEAQRMKIDNNKKLPRTRDELLAFVKKAMWKPVYSGEVGEQVL +>2e7u.A +MERPISEAYFQEAKRHIPGGVSSPVRAFKAVGGTPPFLVRGEGAYVWDADGNRYLDYVMSWGPLILGHAHPKVLARVRETLERGLTFGAPSPLEVALAKKVKRAYPFVDLVRFVNSGTEATMSALRLARGYTGRPYIVKFRGNYHGHADGLLVEAGSGALTLGVPSSAGVPEEYAKLTLVLEYNDPEGLREVLKRRGEEIAAIIFEPVVGNAGVLVPTEDFLKALHEAKAYGVLLIADEVMTGFRLAFGGATELLGLKPDLVTLGKILGGGLPAAAYAGRREIMEKVAPLGPVYQAGTLSGNPLAMAAGLATLELLEENPGYYAYLEDLGARLEAGLKEVLKEKGLPHTVNRVGSMITVFFTEGPVVTFQDARRTDTELFKRFFHGLLDRGIYWPPSNFEAAFLSVAHREEDVEKTLEALRKAL +>2qp2.A +SMSNDKTGKSLEQENSERDVEIRDRNYFRKLSLFDDTVIAGAEMIGTSYDVFGKYCNVGSCMNSLFDERKINASEDNFKKVTILGKTLKVPYYIDCYSVGDLKYTNASGESIESYQSNISSKSRIKGNYLFFSASLKVDFDTDSLTDFENAFSRIQYTYDLYILKSSAEALKEFLKESVKTALDKADTEEDMNDLFNTWGSHFLSGVVMGGCAQYSSSTNKYTSNLTNSFDVVAAASFAGFIGLSARTGNSFMEDIKKFRSASNIKTHAIGGDLSRFDPFGGATSADQPSAEEIAAAKKAFEDWKASVPNAPELVNFADSNPLTGIWELCSDRTQKAKLKKHFETVWAPAESAKRRVHADYIDEIIIGINNTNTPPEGYIGLKSTKDENLNSKGNICLFMHKAKYDPNIDNKDCITELKFITVRDKSPEGDWVKIPQDIYISPNQYLYLCYLPAKYSAEKAIKDIQLLCSSCGSSMILPYGYNDVLDERGERANATEDDNVHYLIYSAGWK +>4gip.A +LDPAALMQIGVIPTNVRQLMYYTEASSAFIVVKLMPTIDSPISGCNITSISSYNATVTKLLQPIGENLETIRNQLIPTRRR +>1wf3.A +MAEKTYSGFVAIVGKPNVGKSTLLNNLLGVKVAPISPRPQTTRKRLRGILTEGRRQIVFVDTPGLHKPMDALGEFMDQEVYEALADVNAVVWVVDLRHPPTPEDELVARALKPLVGKVPILLVGNKLDAAKYPEEAMKAYHELLPEAEPRMLSALDERQVAELKADLLALMPEGPFFYPEDYAKSDQTFGEWVAEILREEAMKRLWHEVPYAVATKVEEVAERENGVLYIKAILYVERPSQKAIVIGEGGRKIKEIGQATRKQLEALLGKKVYLDLEVKVYPDWRKDPEALRELGYRSSVG +>3bzl.D +PTHIAICLYYKLGETPLPLVIETGKDAKALQIIKLAELYDIPVIEDIPLARSLYKNIHKGQYITEDFFEPVAQLIRIAIDLDY +>2ejn.B +MEICPAVKRDVDLFLTGTPDEYVEQVAQYKALPVVLENARILKNCVDAKMTEEDKENALSLLDKIYTSPLCVKMAETCPIFYDVFFAVANGNELLLDLSLTKVNATEPERTAMKKIQDCYVENGLISRVLDGLVMTTISSSKDCMGEHHHHHH +>3c05.A +EPKNPCCDAATCKLTPGSQCAEGLCCDQCKFIKAGKICRRARGDNPDYRCTGQSGDCPRKHF +>3k5j.A +GMDYNQTVLSHLQKFWKHHDIKGFTWTLGRIVEELPDFQVFQVIPNHEDEPWVYVSSGIGQFLGQEFFIISPFETPEHIETLAMLASASMHYPDQFQLGKTVNIGRPWVEQSSFRHFLISLPYPYGQELEYMDNVRFFWLLPITQTERLFLNTHSVEELETKFDEAGIDYLDINRASTVWQAG +>1fk5.A +AISCGQVASAIAPCISYARGQGSGPSAGCCSGVRSLNNAARTTADRRAACNCLKNAAAGVSGLNAGNAASIPSKCGVSIPYTISTSTDCSRVN +>4lpq.A +SNAEPPAPQYPQRGSTGPEVLALQQRLMDLGYFILKADGDYGWATQQAVWAFQKAAGLYRDGVVGPQTQAALDAGYRPTPRSSSGKVVEIDLDKQILLAVEDGRVVRIINASSGNGETYEAKGRTYRATTPRGDFAVYMQRDGMHSSTLELGDMWRPKYFRGGYAVHGSSSIPTYPASHGCVRVSNAAMNWLWDSWGMPIGTRVLLY +>7jrq.A +HHHHHHENLYFQSSEKEELFEKLKQTADEAVQLFQRLREIFDKGDDDSFEQVLEELEEALQKHRQLADQGRKKGLLTSEAAKQGDQFVQLFQRFREAWDKGDKDSLEQILEELEQVAQKAVELGLKILKTQ +>5v7m.A +MHHHHHHMLEAKFEEASLFKRIIDGFKDCVQLVNFQCKEDGIIAQAVDDSRVLLVSLEIGVEAFQEYRCDHPVTLGMDLTSLSKILRCGNNTDTLTLIADNTPDSIILLFEDTKKDRIAEYSLKLMDIDADFAKAEELQYDSTLSLPSSEFSKIVRDLSQLSDSINIMITKETIKFVADGDIGSGSVIIKPFVDMEHPETSIKLEMDQPVDLTFGAKYLLDIIKGSSLSDRVGIRLSSEAPALFQFDLKSGFLQFFLAPKFNDEE +>2xz2.A +HMRDEILDPSNLVKNREILYRLMISQLMYDGLEKFAMELSMLVKADQCAPSERLLHVMIAGMQTLS +>5e7x.A +TKDQRDVNVFKKVLENIGNAVTQFNNDILAYTGGDANHLIHDGDAIIKATENGLQELGPQPPLSLTEALALVGPVQGVNKLIMKTVDHLIEKKGPLVGGGYGPQVKASLQKQAHAAVTLSELVSSKVPSPLAPISKQLSDQVAQALQKGIEAFSI +>3dso.A +VDMSNVVKTYDLQDGSKVHVFKDGKMGMENKFGKSMNMPEGKVMETRDGTKIIMKGNEIFRLDEALRKGHSEGG +>3fpn.A +GSHMTIEQMVDRLLSYPERTKMQILAPIVSGKKGTHAKTLEDIRKQGYVRVRIDREMRELTGDIELEKNKKHSIDVVVDRIIIKDGIAARLADSLETALKLADGKVVVDVIGEGELLFS +>2iay.A +GMAYTTTVKLDGDTKTYTLSPTVKKYTLMDLGFVKGRSGAFSFERSLDPTSPYQAAFKLKMTVNADLTGFKMTTVTGNGVQRANIFKNDAHPEAVEQLRYILANFIERDILTTD +>1u7k.D +PLRMGGNGQLQYWPFSSSDLYNWKNNNPSFSEDPGKLTALIESVLTTHQPTWDDCQQLLGTLLTGEEKQRVLLEARKAVRGNDGRPTQLPNEVDAAFPLERPDWDYTTQRGRNHLVLYRQLLLAGMQNAGR +>3ka5.A +EIVKTKRFAIKPMSEEEAVLEMELLGHNFFVFQNGDSNEVNVVYKRKDGNYGLIEPELEHHHHHH +>3g0m.A +SNAMAALPDKEKLLRNFTRCANWEEKYLYIIELGQRLAELNPQDRNPQNTIHGCQSQVWIVMRRNANGIIELQGDSDAAIVKGLMAVVFILYHQMTAQDIVHFDVRPWFEKMALAQHLTPSRSQGLEAMIRAIRAKAATLS +>1ok0.A +DTTVSEPAPSCVTLYQSWRYSQADNGCAETVTVKVVYEDDTEGLCYAVAPGQITTVGDGYIGSHGHARYLARCL +>2pw8.I +LTYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ +>2h1t.B +GMSRDRLYTWAGLWRSPSSSWEALRLEDDQAESQLRAPDERSGLPYQLDYRLRWDADWHLREAVFHVESETGVRKLHLLADGRGHWQDGDGEALPAFDGCLDIDIWPSPFTNTFPIRRLGLADGQRAEIRALYIEAPALEPRSMRQAYTRLDASHYLYENLEGSAFKAVLLVDEQGLVIDYPGLFQRL +>4o6q.A +MSISISYSTTYSGWTVADYLADWSAYFGDVNHRPGQVVDGSNTGGFNPGPFDGSQYALKSTASDAAFIAGGDLHATLFSNPSHTLWGKLDSIALGDTLTGGASSGGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQGQIDALLKAVDPSLSINSTFDQLAAAGVAHATPAA +>5hub.A +MPSGTDDPLSDAEIQKYREEINRLDREILDAVKRRTKISQTIGKTRMSSGGTRLVHTREVAIINQFREEIGEEGPALAGILLRMGRGKLG +>3pes.A +SNAMLAEFEDRVAGIPCLIVVTYWEPYVPAKVSGPPEYCYPAEGGCGEWEVRDRRGRPAPWLERKLTEAERERIDQAVFDRMEGR +>5en2.C +DLPLLCTLNKSHLYIKGGNASFKISFDDIAVLLPEYDVIIQHPADMSWCSKSDDQIWLSQWFMNAVGHDWYLDPPFLCRNRTKTEGFIFQVNTSKTGINENYAKKFKTGMHHLYREYPDSCLDGKLCLMKAQPTSWPLQCP +>2p3p.B +SNASQEIVAGELERCFLAMPESVLPIVTMEERNDLCRRAGHLSGFTHTASLESSLGGTVTFLLNRNFIRIQTSTVGEVFMRILPFSDSSSVICVVTTVLHPVADSRIDFYTTEWKPLKTDRFWQQPRIEDFFLPHTDRQSYAYQAIYASLTPSYMQVSLSEESDTLSIRQTVTETLAEEEKPLAAIFLSPEPLVYRWQSGRFVRQVR +>5xct.B +MGQTVVTQESALTTSPGETVTLTCRSSTGAVTTSNYANWVQEKPDHLFTGLIVGTNNRVPGVPPRFSGSLIEDKAALTITGAQTEDEAIYFCALWYSNHWVFGGGTKLTVLGGSDYEFLKSWTVEDLQKRLLALDPMMEQEIEEIRQKYQCKRQPILDAIEAK +>1lfp.A +MAGHSHWAQIKHKKAKVDAQRGKLFSKLIREIIVATRLGGPNPEFNPRLRTAIEQAKKANMPWENIERAIKKGAGELEGEQFEEVIYEGYAPGGVAVMVLATTDNRNRTTSEVRHVFTKHGGNLGASGCVSYLFERKGYIEVPAKEVSEEELLEKAIEVGAEDVQPGEEVHIIYTVPEELYEVKENLEKLGVPIEKAQITWKPISTVQINDEETAQKVIKLLNALEELDDVQQVIANFEIPEEILQKVG +>4jmu.A +HMGARASVLSGGELDKWEKIRLRPGGKKQYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTIAVLYCVHQRIDVKDTKEALDKIEEEQNKS +>5v03.B +MGRKLELTKAEKHVHNFMMDTQLTKRVKNAAANVLRETWLIYKNTKLVKKIDHAKVRKHQRKFLQAIHQLRSVKMEQRKLNDQANTLVDLAKTQLEHHHHHH +>2vg3.C +FPQLPPAPDDYPTFPDTSTWPVVFPELPAAPYGGPCRPPQHTSKAAAPRIPADRLPNHVAIVMDGNGRWATQRGLARTEGHKMGEAVVIDIACGAIELGIKWLSLYAFSTENWKRSPEEVRFLMGFNRDVVRRRRDTLKKLGVRIRWVGSRPRLWRSVINELAVAEEMTKSNDVITINYCVNYGGRTEITEATREIAREVAAGRLNPERITESTIARHLQRPDIPDVDLFLRTSGEQRSSNFMLWQAAYAEYIFQDKLWPDYDRRDLWAACEEYASRTRRFGSA +>1ah7.A +WSAEDKHKEGVNSHLWIVNRAIDIMSRNTTLVKQDRVAQLNEWRTELENGIYAADYENPYYDNSTFASHFYDPDNGKTYIPFAKQAKETGAKYFKLAGESYKNKDMKQAFFYLGLSLHYLGDVNQPMHAANFTNLSYPQGFHSKYENFVDTIKDNYKVTDGNGYWNWKGTNPEEWIHGAAVVAKQDYSGIVNDNTKDWFVKAAVSQEYADKWRAEVTPMTGKRLMDAQRVTAGYIQLWFDTYGDR +>7wab.A +TTGEAYFEQLLDHHNPEKGTFSQRYWWSTEYWGGPGSPVVLFNPGEVSADGYEGYLTNDTLTGVYAQEIQGAVILIEHRYWGDSSPYEVLNAETLQYLTLDQSILDMTYFAETVKLQFDNSSRSNAQNAPWVMVGGSYSGALTAWTESIAPGTFWAYHATSAPVEAIYDFWQYFYPIQQGMAQNCSKDVSLVAEYVDKIGKNGTAKEQQELKELFGLGAVEHYDDFAAVLPNGPYLWQDNDFVTGYSSFFQFCDAVEGVEAGAAVTPGPEGVGLEKALANYANWFNSTILPNYCASYGYWTDEWSVACFDSYNASSPIFTDTSVGNPVDRQWEWFLCNEPFFWWQDGAPEGTSTIVPRLVSASYWQRQCPLYFPEVNGYTYGSAKGKNSATVNSWTGGWDMTRNTTRLIWTNGQYDPWRDSGVSSTFRPGGPLVSTANEPVQIIPGGFHCSDLYMEDYYANEGVRKVVDNEVKQIKEWVEEYYA +>3hlz.B +GMQGKKFISPGAWFSMNYPSDWNEFEDGEGSFLFYNPDVWTGNFRISAFKGNASYGKDAIRQELKENDSASLVKIGTWDCAYSKEMFQEEGTYYTSHLWITGTGNIAFECSFTVPKGGSAKEAEEVIATLEARKEGEKYPAELIPVRLSEIYQINEGYEWVVSTVKQELKKDFQGVEEDLEKIQQVIDSGKISPKKKDEWLAIGITVCAILTNEVEGMEWKTLIDGNREVPVLEYQGRTIDPMKIAWSKVKAGQPCNIAEAYQSAIDHH +>1wna.A +MVRVGMRAAPRVSLEALKAALGGLKLSEAKVYLITDWQDKRDQARYALLLHTGKKDLLVPDAFGPAFPGGEEALSELVGLLLAQGARRFYEAVVSPGEMTALLDLPPEELLKRVMAIANPTDPGIYLKRAA +>2vkp.B +SMFNNELMADVHFVVGPPGATRTVPAHKYVLAVGSSVFYAMFYGDLAEVKSEIHIPDVEPAAFLILLKYMYSDEIDLEADTVLATLYAAKKYIVPALAKACVNFLETSL +>1vkm.C +MGSDKIHHHHHHVIIESRIEKGKPVVGMETTVFVHGLPRKEAIELFRRAKEISREKGFQLAVIGILKGKIVAGMSEEELEAMMREGADKVGTREIPIVVAEGKNAATTVSATIFLSRRIGIEVVVTGGTGGVHPGRVDVSQDLTEMSSSRAVLVSSGIKSILDVEATFEMLETLEIPLVGFRTNEFPLFFSRKSGRRVPRIENVEEVLKIYESMKEMELEKTLMVLNPVPEEYEIPHDEIERLLEKIELEVEGKEVTPFLLKKLVEMTNGRTLKANLALLEENVKLAGEIAVKLKRS +>1doi.A +PTVEYLNYEVVDDNGWDMYDDDVFGEASDMDLDDEDYGSLEVNEGEYILEAAEAQGYDWPFSCRAGACANCAAIVLEGDIDMDMQQILSDEEVEDKNVRLTCIGSPDADEVKIVYNAKHLDYLQNRVI +>2b7r.A 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+GNSDGQLDTHLADLYLLKYDTGLGVYESFICKYLEDSNDYIASHPQKLSLDEMPRPLESETVSLRQLIVSVLPSRPSI +>2z6r.A +MVLYFIGLGLYDERDITVKGLEIAKKCDYVFAEFYTSLMAGTTLGRIQRLIGKEIRVLSREDVELNFENIVLPLAKENDVAFLTPGDPLVATTHAELRIRAKRAGVESYVIHAPSIYSAVGITGLHIYKFGKSATVAYPEGNWFPTSYYDVIKENAERGLHTLLFLDIKAEKRMYMTANEAMELLLKVEDMKKGGVFTDDTLVVVLARAGSLNPTIRAGYVKDLIREDFGDPPHILIVPGKLHIVEAEYLVEIAGAPREILRVNV +>4ebg.A +GYQKDIDKVYKEQNQMNKIASKVQNTIKTDIKQEDSNTHVYKDGKVIVIGIQLYKDREKMYYFAYEIKDGKAEINREIDPIKYMKDHKADYEDENVEVEKD +>2pbk.B +QGLYVGGFVDVVSCPKLEQELYLDPDQVTDYLPVTEPLPITIEHLPETEVGWTLGLFQVSHGIFCTGAITSPAFLELASRLADTSHVARAPVKNLPKEPLLEILHTWLPGLSLSSIHPRELSQTPSGPVFQHVSLCALGRRRGTVAVYGHDAEWVVSRFSSVSKSERAHILQHVSSCRLEDLSTPNFVSPLETLMAKAIDAGFIRDRLDLLKTDRGVASILSPVYLKA +>1h02.B +GPETLCGAELVDALQFVCGDRGFYFNKPTGYGSSSRRAPQTGIVDECCFRSCDLRRLEMYCAPLKPAKSA +>1wq6.A +AMATRQEEMIDHRLTDREWAEEWKHLDHLLNCIMDMVEKTRRSLTVLRRCQEADREELNYWIRRYSDAEDLK +>3t4r.A +MARIRHEKEKLLADLDWEIGEIAQYTPLIVDFLVPDDILAMAADGLTPELKEKIQNEIIENHIALMALEEYSSLEHHHHHH +>5btz.A +KSGDSSISISAIGNVDSPMIRITFQNQTEREFFLNKITDKAKSLGVNISTHPFEIKEPNMVLIKPSKYPDNKLGCYISKNKEIAINFGRTDFRDFVLSNLGVGSHLGTCPTKNETGNDTFYFHQENLSLNGPALSVNTK +>1ql0.B +SIDNCAVGCPTGGSSKVSIVRHAYTLNNNSTTKFANWVAYHITKDTPASGKTRNWKTDPALNPADTLAPADYTGANAALKVDRGHQAPLASLAGVSDWESLNYLSNITPQKSDLNQGAWARLEDQERKLIDRADISSVYTVTGPLYERDMGKLPGTQKAHTIPSAYWKVIFINNSPAVNHYAAFLFDQNTPKGADFCQFRVTVDEIEKRTGLIIWAGLPDDVQASLKSKPGVLPELMGCKN +>2h2z.A +SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFQ +>1x6i.A +GSHMDINNKARIHWACRRGMRELDISIMPFFEHEYDSLSDDEKRIFIRLLECDDPDLFNWLMNHGKPADAELEMMVRLIQTRNRERGPVAI +>1ve0.A +MKIISKEFTVKTRSRFDSIDITEQVSEAIKGINNGIAHVIVKHTTCAIIINEAESGLMKDFLNWAKKLVPPDGEFEHNIIDNNGHAHVISAIIGNSRVVPIIEGKLDLGTWQRIILLEFDGPRTRTVLVKSMGE +>4xb4.A 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+GAASEAEYGKVSKAWTLHADGSQEYRSSMELTLFTHTAMNSTYGESFIVYNPDFQTLKIHSSYTRQKDGTIVKTPDNAFVEVLPRFAADAPAYNQLKEMVVVHTGLELGATIYLDYSIITKPGYYPALDINERLQETSPVKECKVSISVPEGTPLACGLYGSPVKAVEESHDGIKEVHWTLRNIPASSREAFQPKNREASPHLVASTYPSGKAALATLDKRLKESQGYESKTFAQFLTDKSGNEQEKVNIIRDHILNNLSTCPIPMAMTGYTVRDIDTVLRSAYGTPLEIAQLLNVMLNAAGIPSEVLAVYPGHLDTDACGLAAIQTLAVKATVDGKDQYLSASPLTNRGGLDKVVSLSGTSIEIETTPIQIKESRSVAISADQAKDGFAICVLPAISAGIDSWGMSALNSKRSNLFELPSLIREEVTYTVTPAEGMKLQTSTQEQVISKPFGKVTRTITPRGNTIEVVRTIELNKQQFTPAEYSDVRSLIHEWTNPDNRVLLFSL +>1zt5.A +WKEPCRIELYRVVESLAKAQETSGEEISKFYLPNCNKNGFYHSRQCETSMDGEAGLCWCVYPWNGKRIPGSPEIRGDPNC +>2erl.A +DACEQAAIQCVESACESLCTEGEDRTGCYMYIYSNCPPYV +>2r31.A +GSHMSEWKARRFWASVGIHKEEGGWAVLLDERPLRTPGKQPLRLPTEALALAIAEEWQAVQEVIDPNAMPLTRSANSAIEKVAPQFDAVAAMLGDYGGTDLLSYRADAPEALVRAQAEGWDPLIDWAATELRAPLRITHGVIPVPQDPVVLLKLRAEVASLDPFGLTALHDLVTLPGSLILGLAVIRGRIDAPTAHALSRIDEEFQAERWGRDEEAEAQAASRLAAMRDSERFWHLTRG +>5mdu.A 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+GPDGMAALSLPLPISAGRGYAPAFTLNYNSGAGNSPFGLGWDCNVMTIRRRTHFGVPHYDETDTFLGPEGEVLVVADQPRDESTLQGINLGATFTVTGYRSRLESHFSRLEYWQPKTTGKTDFWLIYSPDGQVHLLGKSPQARISNPSQTTQTAQWLLEASVSSRGEQIYYQYRAEDDTGCEADEITHHLQATAQRYLHIVYYGNRTASETLPGLDGSAPSQADWLFYLVFDYGERSNNLKTPPAFSTTGSWLCRQDRFSRYEYGFEIRTRRLCRQVLMYHHLQALDSKITEHNGPTLVSRLILNYDESAIASTLVFVRRVGHEQDGNVVTLPPLELAYQDFSPRHHAHWQPMDVLANFNAIQRWQLVDLKGEGLPGLLYQDKGAWWYRSAQRLGEIGSDAVTWEKMQPLSVIPSLQSNASLVDINGDGQLDWVITGPGLRGYHSQRPDGSWTRFTPLNALPVEYTHPRAQLADLMGAGLSDLVLIGPKSVRLYANTRDGFAKGKDVVQSGDITLPVPGADPRKLVAFSDVLGSGQAHLVEVSATKVTCWPNLGRGRFGQPITLPGFSQPATEFNPAQVYLADLDGSGPTDLIYVHTNRLDIFLNKSGNGFAEPVTLRFPEGLRFDHTCQLQMADVQGLGVASLILSVPHMSPHHWRCDLTNMKPWLLNEMNNNMGVHHTLRYRSSSQFWLDEKAAALTTGQTPVCYLPFPIHTLWQTETEDEISGNKLVTTLRYARGAWDGREREFRGFGYVEQTDSHQLAQGNAPERTPPALTKNWYATGLPVIDNALSTEYWRDDQAFAGFSPRFTTWQDNKDVPLTPEDDNSRYWFNRALKGQLLRSELYGLDDSTNKHVPYTVTEFRSQVRRLQHTDSRYPVLWSSVVESRNYHYERIASDPQCSQNITLSSDRFGQPLKQLSVQYPRRQQPAINLYPDTLPDKLLANSYDDQQRQLRLTYQQSSWHHLTNNTVRVLGLPDSTRSDIFTYVAENVPAGGLNLELLSDKNSLIADDKPREYLGQQKTAYTDGQNTTPLQTPTRQALIAFTETTVFNQSTLSAFNGSIPSDKLSTTLEQAGYQQTNYLFPRTGEDKVWVAHHGYTDYGTAAQFWRPQKQSNTQLTGKITLIWDANYCVVVQTRDAAGLTTSAKYDWRFLTPVQLTDINDNQHLITLDALGRPITLRFWGTENGKMTGYSSPEKASFSPPSDVNAAIELKKPLPVAQCQVYAPESWMPVLSQKTFNRLAEQDWQKLYNARIITEDGRICTLAYRRWVQSQKAIPQLISLLNNGPRLPPHSLTLTTDRYDHDPEQQIRQQVVFSDGFGRLLQAAARHEAGMARQRNEDGSLIINVQHTENRWAVTGRTEYDNKGQPIRTYQPYFLNDWRYVSNDSARQEKEAYADTHVYDPIGREIKVITAKGWFRRTLFTPWFTVNEDENDTAAEVKKIDPKLYQKTPTVSVYDNRGLIIRNIDFHRTTANGDPDTRITRHQYDIHGHLNQSIDPRLYEAKQTNNTIKPNFLWQYDLTGNPLCTESIDAGRTVTLNDIEGRPLLTVTATGVIQTRQYETSSLPGRLLSVAEQTPEEKTSRITERLIWAGNTEAEKDHNLAGQCVRHYDTAGVTRLESLSLTGTVLSQSSQLLIDTQEANWTGDNETVWQNMLADDIYTTLSTFDATGALLTQTDAKGNIQRLAYDVAGQLNGSWLTLKGQTEQVIIKSLTYSAAGQKLREEHGNDVITEYSYEPETQRLIGIKTRRPSDTKVLQDLRYEYDPVGNVISIRNDAEATRFWHNQKVMPENTYTYDSLYQLISATGREMANIGQQSHQFPSPALPSDNNTYTNYTRTYTYDRGGNLTKIQHSSPATQNNYTTNITVSNRSNRAVLSTLTEDPAQVDALFDAGGHQNTLISGQNLNWNTRGELQQVTLVKRDKGANDDREWYRYSGDGRRMLKINEQQASNNAQTQRVTYLPNLELRLTQNSTATTEDLQVITVGEAGRAQVRVLHWESGKPEDIDNNQLRYSYDNLIGSSQLELDSEGQIISEEEYYPYGGTALWAARNQTEASYKTIRYSGKERDATGLYYYGYRYYQPWIGRWLSSDPAGTIDGLNLYRMVRNNPVTLLDPDGLNVFDEAILAALEP +>1knt.A +ETDICKLPKDEGTCRDFILKWYYDPNTKSCARFWYGGCGGNENKFGSQKECEKVCAPV +>5h2d.A +GAMGSTAEQKTKAKVLLEEGSFLGYEDKLRQRLKLGKDDRPSVSLWSVLKSMVGKDMTRMTLPVSFNEPTSLLQRVAEDLEYADLLNQAASFEDSTLRLLYVAIFTVSSYASTVKRVAKPFNPLLGETFEYSRPDKSYRFFTEQVSHHPPISATWTESPKWDFFGESFVDSKFNGRSFDFKHLGLWYLTIRPDSNGKEELYTYKKPNNQVVGILLGNPQVDNYGDVKIVNHNTGDYCMIHFKARGWRSSSAYEVKGEVYNAKGGKEWIFGGRWNESVSAKKVLKPNSLEEMQVDELKHSVTHTSSGGPKYDGTRFNVWHVNERPEFPFNLTKFAVTLNAPQPHLLPWLPPTDTRLRPDQRAMEEGRYDEAATEKHRVEERQRSVRKKREEKNITYQQRWFKKEIHPVTKCDYWKFNGEYWKQRRDHKLADEGDIF +>6jv8.A +LQLLHQKVEEQAAKYKHRVPKKCCYDGARENKYETCEQRVARVTIGPHCIRAFNECCTIADKIRKESHHKGMLLGR +>3crv.A +MVKLRDWQEKLKDKVIEGLRNNFLVALNAPTGSGKTLFSLLVSLEVKPKVLFVVRTHNEFYPIYRDLTKIREKRNITFSFLVGKPSSCLYAEKGAESEDIPCKYCELKGSIVEVKTDDSPLSLVKKLKKDGLQDKFCPYYSLLNSLYKADVIALTYPYFFIDRYREFIDIDLREYMIVIDEAHNLDKVNELEERSLSEITIQMAIKQSKSEESRRILSKLLNQLREVVLPDEKYIKVENVPKLSKEELEILADDYEDIRKDSLKQGKVNKIHIGSILRFFSLLSIGSFIPFSYSKRLVIKNPEISYYLNLLNDNELSIILMSGTLPPREYMEKVWGIKRNMLYLDVEREIQKRVSGSYECYIGVDVTSKYDMRSDNMWKRYADYLLKIYFQAKANVLVVFPSYEIMDRVMSRISLPKYVESEDSSVEDLYSAISANNKVLIGSVGKGKLAEGIELRNNDRSLISDVVIVGIPYPPPDDYLKILAQRVSLKMNRENEEFLFKIPALVTIKQAIGRAIRDVNDKCNVWLLDKRFESLYWKKNLKCLNANKMKL +>1ix9.A +SYTLPSLPYAYDALEPHFDKQTMEIHHTKHHQTYVNNANAALESLPEFANLPVEELITKLDQLPADKKTVLRNNAGGHANHSLFWKGLKKGTTLQGDLKAAIERDFGSVDNFKAEFEKAAASRFGSGWAWLVLKGDKLAVVSTANQDSPLMGEAISGASGFPIMGLDVWEHAYFLKFQNRRPDYIKEFWNVVNWDEAAARFAAKK +>4wt3.A +QQLYQPFRPPSSPIPTQFRSLDSAGKIEILAGRMALWFEYAPLISSLYTDGFTPPTIEELTGISSIEQNRLIVGAQVRDSILQSIHEPELISAFDTGGAELLYEIRLLSTTQRVAAATFIIDRNIDSKGAQDLARAIKDYPNRRGDVGWLDFDYNLPGDCLSFLYYRQSRENKNPSDQRTSMLLQALGVAESEKAKNRLNTELYGDKEAEKEK +>6lrd.A +MSRPAHWLLAPPASRDALLATMREWQVSPPVAQVLCGRDLRTELLALPLELTPNPALREAARHIVAAVREGKRIRIHGDYDADGVSATATLVLGLRAIGANVHGFIPHRLNEGYGIHPDRVPEHAAAADLVVTVDCGVSNLDEVKSLLATGTEVVVTDHHAPGENFPECLVVHPHLTPDYDPDRHNLTGAGVAYHLLWAVYEELGRPEPRALLPLATLGTVADVAPLLGENRALVRAGLAEMARTELPGLRALMNEKRVRQPTARDVAFILAPRINAAGRMGEADRALELLTTPSDHEAKSLAAYLEIRNQERRKIQDDMFAQALQLADPNDPALVLTHDDWHAGVMGIVASKLVETFNRPVYIVAQGKGSVRSTPGISAVQGLRESRDLLGRFGGHPGAAGFSLDPQNFGALRERIHGYVRQFPTPVPAVRLDAPLPVAALTPELLSELSILEPFGEGNPRPLWHLRGPLTDTRLVGKQGDVLQFRFGGVKGMKYSERDDAAGERDVAAELALNEWKGRTSLELHAAALRPLAPLALAGTEEGLPTLPRLNPREAMTFLKTGAAAYAEQGVATYLRDNVPGLTLLDTNAPHPGGDLILYGLPPESALRRWLHEAQEQGGRVAFALGPKTLAELDAALTLAKLLPDSHTEAAQEAAADAYRSWQWAHHYRVLNDAGWSASVYAMLGLPVPAALPKAAEALALAAG +>6tly.A +GSSAAPGAIQCMNRHKMERHGKMPAGYKGFDCNVCDQPMLKITEKAYMYRCEKCDYDVCNQCAESRKFKEVHFLCAKCGKKFPSQTKLQYHSRGCRGPS +>2rku.A +AKEIPEVLVDPRSRRRYVRGRFLGKGGFAKCFEISDADTKEVFAGKIVPKSLLLKPHQREKMSMEISIHRSLAHQHVVGFHGFFEDNDFVFVVLELCRRRSLLELHKRRKALTEPEARYYLRQIVLGCQYLHRNRVIHRDLKLGNLFLNEDLEVKIGDFGLATKVEYDGERKKVLCGTPNYIAPEVLSKKGHSFEVDVWSIGCIMYTLLVGKPPFETSCLKETYLRIKKNEYSIPKHINPVAASLIQKMLQTDPTARPTINELLNDEFFTSGYIPARLPITCLTIPPRFSIAPS +>6idx.A +GPGSMPPPSDIVKVAIEWPGANAQLLEIDQKRPLASIIKEVCDGWSLPNPEYYTLRYADGPQLYITEQTRSDIKNGTILQLAISPSRAARQLMERTQSSNMETRLDAMKELAKLSADVTFATEFINMDGIIVLTRLVESGTKLLSHYSEMLAFTLTAFLELMDHGIVSWDMVSITFIKQIAGYVSQPMVDVSILQRSLAILESMVLNSQSLYQKIAEEITVGQLISHLQVSNQEIQTYAIALINALFLKAPEDKRQDMANAFAQKHLRSIILNHVIRGNRPIKTEMAHQLYVLQVLTFNLLEERMMTKMDPNDQAQRDIIFELRRIAFDAESDPSNAPGSGTEKRKAMYTKDYKMLGFTNHINPAMDFTQTPPGMLALDNMLYLAKVHQDTYIRIVLENSSREDKHECPFGRSAIELTKMLCEILQVGELPNEGRNDYHPMFFTHDRAFEELFGICIQLLNKTWKEMRATAEDFNKVMQVVREQITRALPSKPNSLDQFKSKLRSLSYSEILRLRQSERMSQDD +>3m7a.A +GGTKTAAEAAAPAVHPVSGLQIVPVTVTGTSGRHVFRSELARTSAEQAKGLMFRTELGDEEGMIFLRNPPDMATFWMRNTVIPLDIIFVGLDRRVMNIAANAVPYDETPLPAAGPTLAVLEINGGLAARLGIKPGDKVEW +>4oxw.A +SNAPDSLMKVSIPDFEKEGEGKSKHVMYKIKVKTGGEEWAVYRRYSDFYWLHKKLQQRYPELVPELPPKKWIYSALDEQILEKRKQGLEKYIQRIVSHPVLANDELVVSFLQAKAEHTG +>2wlt.A +MAQNLPTIALLATGGTIAGSGVDASLGSYKSGELGVKELLKAIPSLNKIARIQGEQVSNIGSQDMNEEIWFKLAQRAQELLDDSRIQGVVITHGTDTLEESAYFLNLVLHSTKPVVLVGAMRNASSLSADGALNLYEAVSVAVNEKSANKGVLVVMDDTIFSVREVVKTHTTHVSTFKALNSGAIGSVYYGKTRYYMQPLRKHTTESEFSLSQLKTPLPKVDIIYTHAGMTPDLFQASLNSHAKGVVIAGVGNGNVSAGFLKAMQEASQMGVVIVRSSRVGSGGVTSGEIDDKAYGFITSDNLNPQKARVLLQLALTKTNDKAKIQEMFEEY +>2zfz.D +GGTDRMARLLGELLVSTDDSGNLAVLRTPPGAAHYLASAIDRAALPQVVGTIAGDDTILVVAREPTTGAQLAGMFENLR +>1sdi.A +GAKNYYDITLALAGICQSARLVQQLAHQGHCDADALHVSLNSIIDMNPSSTLAVFGGSEANLRVGLETLLGVLNASSRQGLNAELTRYTLSLMVLERKLSSAKGALDTLGNRINGLQRQLEHFDLQSETLMSAMAAIYVDVISPLGPRIQVTGSPAVLQSPQVQAKVRATLLAGIRAAVLWHQVGGGRLQLMFSRNRLTTQAKQILAHLTPEL +>3pt1.A +HMTIPGRFMTIDKGTFGEYTASTRWPIIIQNAIDDLSKHQETEKSNGTKFEQGEVIKKELKEFRQEIIDRVPLRPFTEEEIKIANVPLSFNEYLKKHPEVNWGAVEWLFSEVYLYRRVNVLFQRQCEWAKFDIFNRLKQSTFESSFYGVVELALRYENLLPQLREMKQNPGNEIDDILKVLFKEFIEISLWGNATDLSLLTNATLEDIKSIQGAKARAASESKIVVNDTEKAWEVLTKARADANSREIRVDFVLDNSGFELYADLMLAAFLLQSGLATKCIFHAKDIPYMVSDVMLKDFDILVHDLRDREFFPSGEPSTKESRALDLFAGEMEKFVSSGKIEFREDSFWTTELDYWNLDANETKYHGSILHKDLQKSNLVIFKGDLNYRKLTGDRKWPRTTKWETAIGPLATNGITSLSLRTCKADVQVALPEGLDAKLSQEWEKENPGRGSWWCCSGKWAVICFCSGIHK +>3jsy.B +MAPWKIEEVKTLKGLIKSKPVVAIVDMMDVPAPQLQEIRDKIRDKVKLRMSRNTLIIRALKEAAEELNNPKLAELANYVERGAAILVTDMNPFKLYKLLEENKSPAPVRGGQIAPCDIKVEKGSTGMPPGPFLGELKSVGIPAAIEKGKIAIKEDKVVVKKGEVVSPKLAAVLDRLGIKPIKVGLNILAVYEDGIIYTPDVLKVDEEKLLADI +>2g64.A +MFRMPIVTMERVDSFSAAHRLHSEKLSDAENKETFGKCNNSNGHGHNYVWKVKLRGEVDPTSGMVYDLAKLKKEMSLVLDTVDHRNLDKDVEFFKTTVSTSENVAIYMFEKLKSVMSNPSVLYKVTIEETPKNIFTYKGS +>2vri.A +KAGSAAAPFTKPFAVYKNVKFYLGDISHLVNCVSFDFVVNAANENLLHGGGVARAIDILTEGQLQSLSKDYISSNGPLKVGAGVMLECEKFNVFNVVGPRTGKHEHSLLVEAYNSILFENGIPLMPLLSCGIFGVRIENSLKALFSCDINKPLQVFVYSSNEEQAVLKFLDGLD +>4gsj.A +GSMSSERVLSYAPAFASALATSFFQELSRLKLDVLKLDSTCQPLTVNLDLHNIPKSADQVPLFLTNRSFEKHNNKRTNEVPLQGSIFNFNVLDEFKNLDKQLFLHQRALECWEDGIKDINKCVSFVIISFADLKKYRFYYWLGVPCFQRPSSTVLHVRPEPSLKGLFSKCQKWFDVNYSKWVCILDADDEIVNYDKCIIRKTKVLAIRDTSTMENVPSALTKNFLSVLQYDVPDLIDFKLLIIRQNEGSFALNATFASIDPQSSSSNPDMKVSGWERNVQGKLAPRVVDLS +>4rnz.A +MERLVWDKLTLLGFLEKNHIPQKLYYNLSSQDKELSAEIQSNVTYYTLRDANNTLIQALIPISQDLQIHIYKKGEDYFLDFIPIIFTRKEKTLLLSLQTSPYQDIIKATNDPLLANQLMNAYKKSVPFKRLVKNDKIAIVYTRDYRVGQAFGQPTIKMAMVSSRSNQYYLFSHSNGHYYDSKAQEVAGFLLETPVKYTRISSPFSYGRFHPVLKVRRPHYGVDYAAKHGSLIHSASDGRVGFMGVKAGYGKVVEIHLNELRLVYAHMSAFANGLKKGSFVKKGQIIGRVGSTGLSTGPHLHFGVYKNSRPINPLGYIRTAKSKLHGKQREVFLEKAQRSKQKLEELLKTHSFEKNSFYLLEGFLEHHHHHH +>2cg7.A +AEETCFDKYTGNTYRVGDTYERPKDSMIWDCTCIGAGRGRISCTIANRCHEGGQSYKIGDTWRRPHETGGYMLECVCLGNGKGEWTCKPI +>2xf7.A +GSESLLYGYFLDSWLDGTASEELLRVAVNAGDLTQEEADKIMSYPWGAWND +>1chd.A +LKAGPLLSSEKLIAIGASTGGTEAIRHVLQPLPLSSPAVIITQHMPPGFTRSFAERLNKLCQISVKEAEDGERVLPGHAYIAPGDKHMELARSGANYQIKIHDGPPVNRHRPSVDVLFHSVAKHAGRNAVGVILTGMGNDGAAGMLAMYQAGAWTIAQNEASCVVFGMPREAINMGGVSEVVDLSQVSQQMLAKISAGQAIRI +>3kvd.D +AGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSALTAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIKPDGKRHAVISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQ +>4j8c.A +GAMDPRKVSELRAFVKMCRQDPSVLHTEEMRFLREWVESMGGKVPP +>4kct.B +MSQLEHNIGLSIFEPVAKHRANRIVCTIGPSTQSVEALKNLMKSGMSVARMNFSHGSHEYHQTTINNVRAAAAELGLHIGIALDTKGPEIRTGLFKDGEVSFAPGDIVCVTTDPAYEKVGTKEKFYIDYPQLTNAVRPGGSIYVDDGVMTLRVVSKEDDRTLKCHVNNHHRLTDRRGINLPGCEVDLPAVSEKDRKDLEFGVAQGVDMIFASFIRTAEQVREVRAALGEKGKDILIISKIENHQGVQNIDSIIEASNGIMVARGDLGVEIPAEKVCVAQMCIISKCNVVGKPVICATQMLESMTSNPRPTRAEVSDVANAVLNGADCVMLSGETAKGKYPNEVVQYMARICVEAQSATHDTVMFNSIKNLQKIPMCPEEAVCSSAVASAFEVQAKAMLVLSNTGRSARLISKYRPNCPIICVTTRLQTCRQLNVTRSVVSVFYDAAKSGEDKDKEKRVKLGLDFAKKEKYASTGDVVVVVHADHSVKGYPNQTRLIYLP +>4u5h.G +GPGSSGPADCCRMKECCTDRVNECLQRYSGREDKFVSFCYQEATVTCGSFNEIVGCCYGYQMCMIRVVKPNSLSGAHEACKTVSCGNPCA +>1qgi.A +ASPDDNFSPETLQFLRNNTGLDGEQWNNIMKLINKPEQDDLNWIKYYGYCEDIEDERGYTIGLFGATTGGSRDTHPDGPDLFKAYDAAKGASNPSADGALKRLGINGKMKGSILEIKDSEKVFCGKIKKLQNDAAWRKAMWETFYNVYIRYSVEQARQRGFTSAVTIGSFVDTALNQGATGGSDTLQGLLARSGSSSNEKTFMKNFHAKRTLVVDTNKYNKPPNGKNRVKQWDTLVDMGKMNLKNVDSEIAQVTDWEMK +>2y4x.B +GSHMIKPDETRVKQFLEGFNIETFEMVGTLSNAQGTFALVKGAGGVHRVRVGDYLGRNDGKVVGISEGKIDVIEIVPDGEGNWLERPRSLTLK +>4o87.A +SMNPTTCLNEGAIGYMAIDILQSQNIETITINDNEYKLNKFNNIKDYISKVWGAASVYNLDLGNDYTKWQSSLDNVETDNIKNYINGHDNVYYNPGGKNKYLIIEASKELKWKGNLNNNKFNVNLKSIFSNAENLKVGHSDLLKLFSSIVNSKGSDNQKKVLNSLLDNINDRRLKKLVSTGQWTEAISDSVANEIAKNNKLTSIKAQLGSQKTQNVMIDANGHDLLKIDYDKTFVTANDLKNKIIDKNKLENAKNYFKIQNNDKILEDIKSKFSKNINENIKGSIRDHAKLIEFTENKKFNTINDNSNSDSKIKSITCKV +>2aib.A +TACTATQQTAAYKTLVSILSESSFSQCSKDSGYSMLTATALPTNAQYKLMCASTACNTMIKKIVALNPPDCDLTVPTSGLVLDVYTYANGFSSKCASL +>3f0o.B +MKLAPYILELLTSVNRTNGTADLLVPLLRELAKGRPVSRTTLAGILDWPAERVAAVLEQATSTEYDKDGNIIGYGLTLRETSYVFEIDDRRLYAWCALDTLIFPALIGRTARVSSHCAATGAPVSLTVSPSEIQAVEPAGMAVSLVLPQEAADVRQSFCCHVHFFASVPTAEDWASKHQGLEGLAIVSVHEAFGLGQEFNRHLLQTMSSRTP +>3b4w.A +MSDSATEYDKLFIGGKWTKPSTSDVIEVRCPATGEYVGKVPMAAAADVDAAVAAARAAFDNGPWPSTPPHERAAVIAAAVKMLAERKDLFTKLLAAETGQPPTIIETMHWMGSMGAMNYFAGAADKVTWTETRTGSYGQSIVSREPVGVVGAIVAWNVPLFLAVNKIAPALLAGCTIVLKPAAETPLTANALAEVFAEVGLPEGVLSVVPGGIETGQALTSNPDIDMFTFTGSSAVGREVGRRAAEMLKPCTLELGGKSAAIILEDVDLAAAIPMMVFSGVMNAGQGCVNQTRILAPRSRYDEIVAAVTNFVTALPVGPPSDPAAQIGPLISEKQRTRVEGYIAKGIEEGARLVCGGGRPEGLDNGFFIQPTVFADVDNKMTIAQEEIFGPVLAIIPYDTEEDAIAIANDSVYGLAGSVWTTDVPKGIKISQQIRTGTYGINWYAFDPGSPFGGYKNSGIGRENGPEGVEHFTQQKSVLLPMGYTVAGSHHHHHH +>2q2g.A +GAPRSHEVPLLVTLEELYLGKRKKIKVTRKRFIEHKVRNEENIVEVEIKPGWKDGTKLTYSGEGDQESPGTSPGDLVLIIQTKTHPRFTRDDCHLIMKVTIPLVRALTGFTCPVTTLDNRNLQIPIKEIVNPKTRKIVPNEGMPIKNQPGQKGDLILEFDICFPKSLTPEQKKLIKEALD +>5ii7.A +MGRSWHYVEPKFLNKAFEVALKVQIIAGFDRGLVKWLRVHGRTLSTVQKKALYFVNRRYMQTHWANYMLWINKKIDALGRTPVVGDYTRLGAEIGRRIDMAYFYDFLKDKNMIPKYLPYMEEINRMRPADVPVKYMGK +>1l2p.A +TDQLKKAKAEAQVIIEQANKRRSQILDEAKAEAEQERTKIVAQAQAEIEAERKRAREELRK +>1zos.C +MKIGIIAAMPEELAYLVQHLDNTQEQVVLGNTYHTGTIASHEVVLVESGIGKVMSAMSVAILADHFQVDALINTGSAGAVAEGIAVGDVVIADKLAYHDVDVTAFGYAYGQMAQQPLYFESDKTFVAQIQESLSQLDQNWHLGLIATGDSFVAGNDKIEAIKSHFPEVLAVEMEGAAIAQAAHTLNLPVLVIRAMSDNANHEANIFFDEFIIEAGRRSAQVLLAFLKALD +>6e5y.A +SNAMTTILPNLPTGQKVGIAFSGGLDTSAALLWMRQKGAVPYAYTANLGQPDEPDYDEIPRRAMQYGAEAARLVDCRAQLVAEGIAALQAGAFHISTAGLTYFNTTPIGRAVTGTMLVAAMKEDGVNIWGDGSTFKGNDIERFYRYGLLTNPDLKIYKPWLDQTFIDELGGRAEMSEYMRQAGFDYKMSAEKAYSTDSNMLGATHEAKDLELLSAGIRIVQPIMGVAFWQDSVQIKAEEVTVRFEEGQPVALNGVEYADPVELLLEANRIGGRHGLGMSDQIENRIIEAKSRGIYEAPGLALLFIAYERLVTGIHNEDTIEQYRENGRKLGRLLYQGRWFDPQAIMLRETAQRWVARAITGEVTLELRRGNDYSLLNTESANLTYAPERLSMEKVENAPFTPADRIGQLTMRNLDIVDTREKLFTYVKTGLLAPSAGSALPQIKDGKK +>3h2d.B +GMNVNFINPFLQSLLNVISTMASLELTPGKPQIKTDNLAKGDVSGLIGMVGPQTKGSLSITFEQKLVLQIMQNMLGENPGKINEEVTDLVGEITNMVTGGAKNLLGQKGYEFEMATPMVVSGQGHTISHKANGTKIIMPFTSSYGTAFIEVCFES +>3nci.A +MKEFYLTVEQIGDSIFERYIDSNGRERTREVEYKPSLFAHCPESQATKYFDIYGKPCTRKLFANMRDASQWIKRMEDIGLEALGMDDFKLAYLSDTYNYEIKYDHTKIRVANFDIEVTSPDGFPEPSQAKHPIDAITHYDSIDDRFYVFDLLNSPYGNVEEWSIEIAAKLQEQGGDEVPSEIIDKIIYMPFDNEKELLMEYLNFWQQKTPVILTGWNVESFAIPYVYNRIKNIFGESTAKRLSPHRKTRVKVIENMYGSREIITLFGISVLDYIDLYKKFSFTNQPSYSLDYISEFELNVGKLKYDGPISKLRESNHQRYISYNIIAVYRVLQIDAKRQFINLSLDMGYYAKIQIQSVFSPIKTWDAIIFNSLKEQNKVIPQGRSHPVQPYPGAFVKEPIPNRYKYVMSFDLTSLYPSIIRQVNISPETIAGTFKVAPLHDYINAVAERPSDVYSCSPNGMMYYKDRDGVVPTEITKVFNQRKEHKGYMLAAQRNGEIIKEALHNPNLSVDEPLDVDYRFDFSDEIKEKIKKLSAKSLNEMLFRAQRTEVAGMTAQINRKLLINSLYGALGNVWFRYYDLRNATAITTFGQMALQWIERKVNEYLNEVCGTEGEAFVLYGDTDSIYVSADKIIDKVGESKFRDTNHWVDFLDKFARERMEPAIDRGFREMCEYMNNKQHLMFMDREAIAGPPLGSKGIGGFWTGKKRYALNVWDMEGTRYAEPKLKIMGLETQKSSTPKAVQKALKECIRRMLQEGEESLQEYFKEFEKEFRQLNYISIASVSSANNIAKYDVGGFPGPKCPFHIRGILTYNRAIKGNIDAPQVVEGEKVYVLPLREGNPFGDKCIAWPSGTEITDLIKDDVLHWMDYTVLLEKTFIKPLEGFTSAAKLDYEKKASLFDMFDF +>3kef.B +MRGSHHHHHHMQILLANPRGFCAGVDRAISIVENALAIYGAPIYVRHEVVHNRYVVDSLRERGAIFIEQISEVPDGAILIFSAHGVSQAVRNEAKSRDLTVFDATCPLVTKVHMEVARASRRGEESILIGHAGHPEVEGTMGQYSNPEGGMYLVESPDDVWKLTVKNEEKLSFMTQTTLSVDDTSDVIDALRKRFPKIVGPRKDDICYATTNRQEAVRALAEQAEVVLVVGSKNSSNSNRLAELAQRMGKRAFLIDDAKDIQEEWVKEVKCVGVTAGASAPDILVQNVVARLQQLGGGEAIPLEGREENIVFEVPKELRVDIREVD +>7la6.A +SNADSLPERIDLFVSLFDYNSATTSYDIRSIQTDFPTRLLTPDSMLPQTSEYPLKDIQLLYKLAQSCTGKLPLSPLITEPLVFTRSLCKGSSLSPRWFARSGLIHPGGGTYAFRYAEKYPAQFANLLPYMHIQERPNAAEGTLLYHLQNMGEDAINALVSGASMFGSGSDLWLRKGDIYYLFNEETWLTNANKAGLSYSLLSADTCFIQRGNICWDVEDHS +>3txs.C +QVYAPLVLRDPVSNPNNRKIDQDDDYELVRRNMHYQSQMLLDMAKIALENAKNADSPRHVEVFAQLMGQMTTTNKEMLKMHKEMKDLAGAAVQK +>1wqj.B +AIHCPPCSEEKLARCRPPVGCEELVREPGCGCCATCALGLGMPCGVYTPRCGSGLRCYPPRGVEKPLHTLMHGQGVCMEL +>3lti.A 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0.077, 0.064, 0.041666666666666664, 0.03833333333333334, 0.03833333333333334, 0.04533333333333334, 0.056666666666666664, 0.053, 0.05633333333333334, 0.05933333333333333, 0.137, 0.21233333333333335, 0.21433333333333335, 0.23566666666666666, 0.17466666666666666, 0.15, 0.07966666666666668, 0.051333333333333335, 0.035333333333333335, 0.03133333333333333, 0.036666666666666674, 0.03566666666666667, 0.044333333333333336, 0.03666666666666667, 0.04733333333333334, 0.04700000000000001, 0.036000000000000004, 0.03666666666666667, 0.04533333333333333, 0.05266666666666667, 0.06866666666666667, 0.08566666666666667, 0.07533333333333335, 0.048666666666666664, 0.03766666666666667, 0.051, 0.048999999999999995, 0.05633333333333334, 0.057666666666666665, 0.06166666666666667, 0.062, 0.08833333333333332, 0.09200000000000001, 0.06066666666666667, 0.058666666666666666, 0.03866666666666667, 0.05566666666666666, 0.064, 0.12533333333333332, 0.212, 0.19766666666666666, 0.127, 0.08933333333333333, 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b/data/scripts/__pycache__/get_enm_fluctuations_for_dataset.cpython-39.pyc differ diff --git a/data/scripts/data_utils.py b/data/scripts/data_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..7661c9ea693651bcb08c696c08754a30afeb30b1 --- /dev/null +++ b/data/scripts/data_utils.py @@ -0,0 +1,273 @@ +#From https://github.com/JoreyYan/zetadesign/blob/master/data/data.py +import glob +import json +import numpy as np +import gzip +import re +import multiprocessing +import tqdm +import shutil +SENTINEL = 1 +import biotite.structure as struc +import biotite.application.dssp as dssp +import biotite.structure.io.pdb.file as file +import biotite.structure.io.pdb as pdb + +def parse_PDB_biounits(x, sse,ssedssp,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, plddts, min_resn, max_resn = {}, {}, [], 1e6, -1e6 + + pdbcontents = x.split('\n')[0] + with open(pdbcontents) as f: + pdbcontents = f.readlines() + for line in pdbcontents: + #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 or ch==' ': + atom = line[12:12 + 4].strip() + resi = line[17:17 + 3] + resn = line[22:22 + 5].strip() + plddt=line[60:60 + 6].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 # in same pos ,use last atoms + 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_ ,sse_,ssedssp_= [], [], [], [] + dsspidx=0 + sseidx=0 + + for resn in range(int(min_resn), int(max_resn + 1)): + if resn in seq: + for k in sorted(seq[resn]): + seq_.append(aa_3_N.get(seq[resn][k], 20)) + # try: + # if 'CA' in xyz[resn][k]: + # sse_.append(sse[sseidx]) + # sseidx = sseidx + 1 + # else: + # sse_.append('-') + # except: + # print('error sse') + + + else: + seq_.append(20) + sse_.append('-') + + misschianatom = False + 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]) #some will miss C and O ,but sse is normal,because sse just depend on CA + else: + xyz_.append(np.full(3, np.nan)) + misschianatom=True + if misschianatom: + ssedssp_.append('-') + misschianatom = False + else: + try: + ssedssp_.append(ssedssp[dsspidx]) # if miss chain atom,xyz ,seq think is ok , but dssp miss this + dsspidx = dsspidx + 1 + except: + pass + # print(dsspidx) + + + else: + for atom in atoms: + xyz_.append(np.full(3, np.nan)) + ssedssp_.append('-') + + + return np.array(xyz_).reshape(-1, len(atoms), 3), N_to_AA(np.array(seq_)),np.array(sse_),np.array(ssedssp_) + + +def parse_PDB(path_to_pdb,name, input_chain_list=None): + """ + make sure every time just input 1 line + """ + c = 0 + pdb_dict_list = [] + + + if input_chain_list: + chain_alphabet = input_chain_list + else: + 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 = [path_to_pdb] + for biounit in biounit_names: + my_dict = {} + s = 0 + concat_seq = '' + + + for letter in chain_alphabet: + + PDBFile = file.PDBFile.read(biounit) + array_stack = PDBFile.get_structure(altloc="all") + + sse1 = struc.annotate_sse(array_stack[0]).tolist() + if len(sse1)==0: + sse1 = struc.annotate_sse(array_stack[0]).tolist() + + #ssedssp1 = dssp.DsspApp.annotate_sse(array_stack).tolist() + ssedssp1 = [] #not annotating dssp for now + + + xyz, seq, _, _= parse_PDB_biounits(biounit,sse1,ssedssp1,atoms=['N', 'CA', 'C','O'], chain=letter) #TODO: fix the float error + #ssedssp = sse #faking it for now + # if len(sse)!=len(seq[0]): + # xxxx=len(seq[0]) + # print(name) + #assert len(sse)==len(seq[0]) + #assert len(ssedssp) == len(seq[0]) + + if type(xyz) != str: + concat_seq += seq[0] + my_dict['seq_chain_' + letter] = seq[0] + + coords_dict_chain = {} + coords_dict_chain['N'] = xyz[:, 0, :].tolist() + coords_dict_chain['CA'] = xyz[:, 1, :].tolist() + coords_dict_chain['C'] = xyz[:, 2, :].tolist() + coords_dict_chain['O'] = xyz[:, 3, :].tolist() + my_dict['coords_chain_' + letter] = coords_dict_chain + + #sse=''.join(sse) + #ssedssp=''.join(ssedssp) + #my_dict['sse3' ] = sse + #my_dict['sse8'] = ssedssp + s += 1 + #fi = biounit.rfind("/") + my_dict['name'] = 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 align_pdb_dict_formats(pdb_dict,chain): + new_dict = {} + new_dict['seq'] = pdb_dict[f'seq_chain_{chain}'] + new_dict['coords'] = pdb_dict[f'coords_chain_{chain}'] + new_dict['num_chains'] = pdb_dict['num_of_chains'] + new_dict['name'] = pdb_dict['name'] +"_"+chain + new_dict['CATH'] = ["1.10.150", "3.30.160", "1.10.443"] + return new_dict + +def modify_bfactor_biotite(input_file, chain_id, output_file, flex_prediction): + """ + Reads a PDB file, modifies the B-factor column, and writes the updated file using Biotite. + + :param input_file: Path to the input PDB file + :param output_file: Path to save the modified PDB file + :param flex_prediction: New B-factor value to set (should be a 2D array (1,n_residues)) + """ + # Read the PDB file into an AtomArray + import biotite.structure as struc + import biotite.structure.io as strucio + structure = strucio.load_structure(input_file) + available_chains = np.unique(structure.chain_id) + if chain_id in available_chains: + structure = structure[structure.chain_id == chain_id] + structure = structure[~structure.hetero] + + new_bfactor_column = [] + + last_res_id = -1000 + pred_idx = -1 + + flex_prediction = flex_prediction.cpu().numpy() + + for res_id in structure.res_id: + if res_id != last_res_id: + new_bfactor_column.append(flex_prediction[0,pred_idx+1]) + last_res_id = res_id + pred_idx += 1 + else: + new_bfactor_column.append(flex_prediction[0,pred_idx]) + + new_bfactors = np.array(new_bfactor_column) + + if "b_factor" not in structure.get_annotation_categories(): + structure.set_annotation("b_factor", new_bfactors) + else: # Array of values + structure.b_factor[:] = new_bfactors + + # Save the modified structure to a new PDB file + strucio.save_structure(output_file, structure) \ No newline at end of file diff --git a/data/scripts/extract_rmsf_labels.py b/data/scripts/extract_rmsf_labels.py new file mode 100644 index 0000000000000000000000000000000000000000..00cd3f3dcffaeda536da96bb582686f1d457c213 --- /dev/null +++ b/data/scripts/extract_rmsf_labels.py @@ -0,0 +1,48 @@ +import os +import yaml +import pandas as pd +def extract_rmsf_labels(file_path): + with open(file_path, 'r') as f: + lines = f.readlines() + protein_id = file_path.split('/')[-2].split('_')[:-1] + protein_id = '.'.join(protein_id) + rmsf_values = [] + for line in lines[1:]: + parts = line.strip().split('\t') + rmsf_r1 = float(parts[1]) + rmsf_r2 = float(parts[2]) + rmsf_r3 = float(parts[3]) + avg_rmsf = (rmsf_r1 + rmsf_r2 + rmsf_r3) / 3 + rmsf_values.append(avg_rmsf) + return protein_id, rmsf_values + +def extract_bfactor_labels(file_path): + bfactor = pd.read_csv(file_path, delimiter='\t')['Bfactor'] + protein_id = file_path.split('/')[-2].split('_')[:-1] + protein_id = '.'.join(protein_id) + return protein_id, bfactor + +def extract_plddt_labels(file_path): + plddt = pd.read_csv(file_path, delimiter='\t')['pLDDT'] + protein_id = file_path.split('/')[-2].split('_')[:-1] + protein_id = '.'.join(protein_id) + return protein_id, plddt + +if __name__ == "__main__": + config = yaml.load(open('configs/data_config.yaml'), Loader=yaml.FullLoader) + in_path = config['atlas_out_dir'] + out_path = config['atlas_labels_path'] + rmsf_data = {} + + for folder in os.listdir(in_path): + folder_path = os.path.join(in_path, folder) + if os.path.isdir(folder_path): + for file in os.listdir(folder_path): + if file.endswith("_RMSF.tsv"): + file_path = os.path.join(folder_path, file) + protein_id, rmsf_labels = extract_rmsf_labels(file_path) + rmsf_data[protein_id] = rmsf_labels + + with open(out_path, 'w') as out_file: + for protein_id, values in rmsf_data.items(): + out_file.write(f"{protein_id}: {', '.join(map(str, values))}\n") diff --git a/data/scripts/generate_atlas_rmsf_labels.py b/data/scripts/generate_atlas_rmsf_labels.py new file mode 100644 index 0000000000000000000000000000000000000000..503fa1da06aabe7ad2b01c499acc532c342143b9 --- /dev/null +++ b/data/scripts/generate_atlas_rmsf_labels.py @@ -0,0 +1 @@ +#TODO \ No newline at end of file diff --git a/data/scripts/generate_fasta.py b/data/scripts/generate_fasta.py new file mode 100644 index 0000000000000000000000000000000000000000..fcdffbfb5d0b9537a8e660a4b86f8277a903e8d9 --- /dev/null +++ b/data/scripts/generate_fasta.py @@ -0,0 +1,19 @@ + +if __name__ == "__main__": + from tqdm import tqdm + import json + import yaml + + in_path = yaml.load(open('configs/data_config.yaml', 'r'), Loader=yaml.FullLoader)['backbones_dataset_path'] + out_path = yaml.load(open('configs/data_config.yaml', 'r'), Loader=yaml.FullLoader)['fasta_dataset_path'] + + with open(in_path, 'r') as f: + lines = f.readlines() + dicts = [json.loads(line.strip()) for line in lines] + + outputs = [] + with open(out_path, 'w') as f: + for _dict in tqdm(dicts): + pdb_name = ".".join(_dict['name'].split('_')) + sequence = _dict['seq'] + f.write(f">{pdb_name}\n{sequence}\n") \ No newline at end of file diff --git a/data/scripts/get_enm_fluctuations_for_dataset.py b/data/scripts/get_enm_fluctuations_for_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..cf519a614916ee4224bdf151121e815bcc2a8e98 --- /dev/null +++ b/data/scripts/get_enm_fluctuations_for_dataset.py @@ -0,0 +1,122 @@ +import prody +from prody import ANM, GNM +from prody.dynamics.analysis import calcSqFlucts +import numpy as np +from biotite.structure.io.pdb import PDBFile +import pdb +import os +import json +from tqdm import tqdm +import yaml + +def get_fluctuation_for_pdbfile(pdb_name, pdb_path, chain = None, enm_type = 'ANM'): + if enm_type not in ('ANM', 'GNM'): + raise ValueError("enm_type must be 'ANM' or 'GNM'") + + if not chain: + prodypdb = prody.parsePDB(pdb_path) + else: + prodypdb = prody.parsePDB(pdb_path, chain=chain) + + calphas = prodypdb.select("protein and name CA") + sequence = calphas.getSequence() + if enm_type == 'GNM': + enm = GNM('gnm') + enm.buildKirchhoff(calphas, cutoff=16., gamma=1.) + elif enm_type == 'ANM': + enm = ANM('anm') + enm.buildHessian(calphas, cutoff=16.) + enm.calcModes(3*len(calphas)-6) + sq_flucts = calcSqFlucts(enm) + flucts = np.sqrt(sq_flucts) + return flucts, sequence + +def get_fluctuation_for_json_dict(dict, chain = None, enm_type = 'ANM'): + coords, elements = [], [] + nan_idcs = [] + for atom_name in ['CA']:#['N', 'CA', 'C', 'O']: + for res_idx, atoms in enumerate(dict['coords'][atom_name]): + if len([1 for a in atoms if np.isnan(a) or not np.isfinite(a)]) > 0: + nan_idcs.append(res_idx) + continue + else: + coords.append(atoms) # array documentation to improve + elements.append(atom_name) + + prody_molecule = prody.AtomGroup() + prody_molecule.setCoords(coords) + prody_molecule.setElements(elements) + + calphas = prody_molecule#prody_molecule.select("ca") + if enm_type == 'GNM': + enm = GNM('gnm') + enm.buildKirchhoff(calphas, cutoff=16., gamma=1.) + elif enm_type == 'ANM': + enm = ANM('anm') + enm.buildHessian(calphas, cutoff=16.) + + try: + enm.calcModes(3*len(calphas)-6) + sq_flucts = calcSqFlucts(enm) + flucts = np.sqrt(sq_flucts) + except: + flucts = [np.nan for _ in range(len(calphas))] + + padded_flucts = [] + _padded_idcs_counter = 0 + for idx in range(len(flucts)+len(nan_idcs)): + if idx in nan_idcs: + padded_flucts.append(np.nan) + _padded_idcs_counter += 1 + else: + padded_flucts.append(flucts[idx-_padded_idcs_counter]) + flucts = np.array(padded_flucts) + + return flucts, dict['seq'] + + +def write_jsonl(jsonl, output_filename): + with open(output_filename, 'w') as f: + for line in jsonl: + f.write(json.dumps(line) + '\n') + + + +if __name__ == "__main__": + import argparse + parser = argparse.ArgumentParser(description='Calculate fluctuations for a dataset of pdb files') + parser.add_argument('--enm', type=str, default='ANM', help='Select ANM or GNM.') + parser.add_argument('--subselect_chain', type=int, default=0, help='If set to 1, the name of the PDB is assumed to be in the format PDB_CHAINID and used to explicitely read just the chain.') + #add store_true argument flag to distinguish chains, by default no flag means False, if flag added set it to true + + args = parser.parse_args() + + in_path = yaml.load(open('configs/data_config.yaml', 'r'), Loader=yaml.FullLoader)['backbones_dataset_path'] + out_path = yaml.load(open('configs/data_config.yaml', 'r'), Loader=yaml.FullLoader)['out_enm_dataset_path'].format(args.enm) + + if in_path.endswith('.csv'): + with open(in_path, 'r') as f: + pdb_paths = {line.strip().split(',')[0]: line.strip().split(',')[1] for line in f.readlines()} + outputs = [] + for pdb_name, pdb_path in tqdm(pdb_paths.items()): + if args.subselect_chain: + chain = pdb_name.split('_')[1] #assuminh pdb_name is in the form PDB_CHAINID + else: + chain = None + flucts, sequence = get_fluctuation_for_pdbfile(pdb_name=pdb_name, pdb_path=pdb_path, enm_type=args.enm, chain=chain) + outputs.append({'pdb_name': pdb_name, 'fluctuations': flucts.tolist(), 'sequence': sequence}) + + elif in_path.endswith('.jsonl'): + with open(in_path, 'r') as f: + lines = f.readlines() + dicts = [json.loads(line.strip()) for line in lines] + outputs = [] + for _dict in tqdm(dicts): + #TODO: do I need to subselect the chain here? + flucts, sequence = get_fluctuation_for_json_dict(_dict, enm_type=args.enm) + outputs.append({'pdb_name': '_'.join(_dict['name'].split('.')), 'fluctuations': flucts.tolist(), 'sequence': sequence}) + #raise NotImplementedError('TODO: Implement the parsing of the .json') #TODO: implement this part to read the CATH4.3 dataset from the json(l) + else: + raise ValueError("input_structures are expected to be a csv file or a jsonl file") + + write_jsonl(outputs, out_path) \ No newline at end of file diff --git a/data/scripts/prepare_dataset.py b/data/scripts/prepare_dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..90fd337b9fc27937926d79abe1ac08c7c8070bcc --- /dev/null +++ b/data/scripts/prepare_dataset.py @@ -0,0 +1,27 @@ +from data_utils import parse_PDB, align_pdb_dict_formats +import os +import re +import json +import yaml +from tqdm import tqdm + +in_dir = yaml.load(open('configs/data_config.yaml', 'r'), Loader=yaml.FullLoader)['pdb_dir'] +out_dir = yaml.load(open('configs/data_config.yaml', 'r'), Loader=yaml.FullLoader)['preprocessed_dir'] + +fold_list = [] +fold_files = os.listdir(in_dir) +fold_files = [filename for filename in fold_files if re.match(".*\.pdb$", filename)] + +for file in tqdm(fold_files): + _name= file.split('_')[0] + _chain = file.split('_')[1].split('.')[0] + _path = f'{in_dir}/{file}' + old_pdb = parse_PDB(_path,name=_name, input_chain_list=[_chain])[0] + new_pdb = align_pdb_dict_formats(old_pdb,_chain) + fold_list.append(new_pdb) + +with open(f'{out_dir}/chain_set.jsonl','w') as f: + for dict in fold_list: + json.dump(dict,f) + f.write('\n') + diff --git a/download_flexpert_weights.sh b/download_flexpert_weights.sh new file mode 100644 index 0000000000000000000000000000000000000000..25cfebcb33c2d97c6bfd46cef164ccb6c936903b --- /dev/null +++ b/download_flexpert_weights.sh @@ -0,0 +1,19 @@ +echo "Downloading Flexpert weights..." + +# Create the directory if it doesn't exist +mkdir -p models/weights + +# Set file information for Flexpert weights +WEIGHTS_URL_3d="https://data.ciirc.cvut.cz/public/projects/2025Flexpert/flexpert-weights/flexpert_3d_weights.bin" +OUTPUT_FILE_3d="models/weights/flexpert_3d_weights.bin" + +WEIGHTS_URL_SEQ="https://data.ciirc.cvut.cz/public/projects/2025Flexpert/flexpert-weights/flexpert_seq_weights.bin" +OUTPUT_FILE_SEQ="models/weights/flexpert_seq_weights.bin" + +echo "Downloading Flexpert-3D weights..." +wget --no-check-certificate "${WEIGHTS_URL_3d}" -O ${OUTPUT_FILE_3d} + +echo "Downloading Flexpert-Seq weights..." +wget --no-check-certificate "${WEIGHTS_URL_SEQ}" -O ${OUTPUT_FILE_SEQ} + +echo "Flexpert weights download completed." diff --git a/get_correlation_analysis.py b/get_correlation_analysis.py new file mode 100644 index 0000000000000000000000000000000000000000..abfc43f2c309433102e326c6e28ee232004830be --- /dev/null +++ b/get_correlation_analysis.py @@ -0,0 +1,115 @@ +import pickle +import numpy as np +import json +import pandas as pd +from data.scripts.extract_rmsf_labels import extract_rmsf_labels, extract_bfactor_labels, extract_plddt_labels +import yaml +from tqdm import tqdm +import os +def get_flucts_from_pickle(f): + return pickle.load(f) + +def get_flucts_from_jsonl(f): + _flucts = f.readlines() + pdb_code_to_fluct_dict = {} + for line in _flucts: + json_obj = json.loads(line.strip()) + pdb_code_to_fluct_dict[json_obj['pdb_name']] = np.array(json_obj['fluctuations']) + return pdb_code_to_fluct_dict + +def read_flexpert_predictions(path): + with open(path, 'r') as f: + lines = f.readlines() + pdb_code_to_fluct_dict = {} + + for name_line, fluct_line in zip(lines[::2], lines[1::2]): + _name = name_line.strip().strip('>') + if '.' in _name: + _name = _name.replace('.', '_') + pdb_code_to_fluct_dict[_name] = np.array(fluct_line.strip().split(','), dtype=np.float32) + return pdb_code_to_fluct_dict + +if __name__ == "__main__": + + import argparse + parser = argparse.ArgumentParser() + parser.add_argument('--evaluate_flexpert', action='store_true', default=False) + args = parser.parse_args() + + + + config = yaml.load(open('configs/data_config.yaml', 'r'), Loader=yaml.FullLoader) + DATA_DIR = config['precomputed_flexibility_profiles_dir'] + + + if args.evaluate_flexpert: + flexpert_3d_predictions_path = config['flexpert_3d_predictions_path'] + flexpert_seq_predictions_path = config['flexpert_seq_predictions_path'] + assert os.path.exists(flexpert_3d_predictions_path), f"Flexpert-3D predictions file does not exist: {flexpert_3d_predictions_path}" + assert os.path.exists(flexpert_seq_predictions_path), f"Flexpert-Seq predictions file does not exist: {flexpert_seq_predictions_path}" + flexpert_3d_predictions = read_flexpert_predictions(flexpert_3d_predictions_path) + flexpert_seq_predictions = read_flexpert_predictions(flexpert_seq_predictions_path) + + with open(f'{DATA_DIR}/anm_square_fluctuations.pickle','rb') as f: + anm_sqFlucts = get_flucts_from_pickle(f) + + with open(f'{DATA_DIR}/gnm_square_fluctuations.pickle','rb') as f: + gnm_sqFlucts = get_flucts_from_pickle(f) + + with open(f'{DATA_DIR}/atlas_esm_plddt.jsonl','rb') as f: + esm_plddt = get_flucts_from_jsonl(f) + + atlas_list_path = config['pdb_codes_path'] + atlas_analyses_dir = config['atlas_out_dir'] + + atlas_bfactor_path = atlas_analyses_dir + "/{}_analysis/{}_Bfactor.tsv" + atlas_plddt_path = atlas_analyses_dir + "/{}_analysis/{}_pLDDT.tsv" + atlas_rmsf_path = atlas_analyses_dir + "/{}_analysis/{}_RMSF.tsv" + + with open(atlas_list_path,'r') as f: + atlas_list = f.readlines() + atlas_list = [a.strip() for a in atlas_list] + + fluctuations = {} + + if args.evaluate_flexpert: + print("Filtering to testset only, to evaluate Flexpert-3D and Flexpert-Seq predictions") + atlas_list = [a for a in atlas_list if a in flexpert_seq_predictions.keys()] + + for key in tqdm(atlas_list): + fluctuations[key] = pd.DataFrame() + fluctuations[key]['prody_ANM'] = np.sqrt(anm_sqFlucts.get(key, np.nan)) + fluctuations[key]['prody_GNM'] = np.sqrt(gnm_sqFlucts.get(key, np.nan)) + fluctuations[key]['esm_plddt'] = 1 - esm_plddt.get(key, np.nan) + fluctuations[key]['rmsf'] = extract_rmsf_labels(atlas_rmsf_path.format(key, key))[1] + fluctuations[key]['bfactor'] = extract_bfactor_labels(atlas_bfactor_path.format(key, key))[1] + fluctuations[key]['af2_plddt'] = 1 - extract_plddt_labels(atlas_plddt_path.format(key, key))[1] + if args.evaluate_flexpert and key in flexpert_seq_predictions.keys(): + fluctuations[key]['flexpert_3d'] = flexpert_3d_predictions.get(key) + fluctuations[key]['flexpert_seq'] = flexpert_seq_predictions.get(key) + + pearson_correlations = [] + + for pdb_code,df in fluctuations.items(): + cols = ['rmsf', 'bfactor', 'af2_plddt', 'esm_plddt', 'prody_GNM', 'prody_ANM'] + if args.evaluate_flexpert: + cols.append('flexpert_3d') + cols.append('flexpert_seq') + + pc = df[cols].corr(method='pearson') + if np.any(np.isnan(pc)): + print(f'{pdb_code} has NaN values in Pearson correlation') + continue + pearson_correlations.append(pc) + + #compute average across all pdb codes + columns = ['rmsf', 'bfactor', 'af2_plddt', 'esm_plddt', 'prody_GNM', 'prody_ANM'] + if args.evaluate_flexpert: + columns.append('flexpert_3d') + columns.append('flexpert_seq') + print("Pearson correlations:") + pearson_mean = np.mean(pearson_correlations, axis=0) + pearson_mean_rounded = np.round(pearson_mean, 2) + print(pd.DataFrame(pearson_mean_rounded, index=columns, columns=columns)) + print("\n") + \ No newline at end of file diff --git a/gradio_molecule3d b/gradio_molecule3d new file mode 160000 index 0000000000000000000000000000000000000000..98e0d16222745fd9ed75cd8da80eb27c7c02fe51 --- /dev/null +++ b/gradio_molecule3d @@ -0,0 +1 @@ +Subproject commit 98e0d16222745fd9ed75cd8da80eb27c7c02fe51 diff --git a/models/ESM_per_token.py b/models/ESM_per_token.py new file mode 100644 index 0000000000000000000000000000000000000000..552646eeb3445169f99a7ccf2945e95d5d1c2d57 --- /dev/null +++ b/models/ESM_per_token.py @@ -0,0 +1,150 @@ +from transformers.models.esm.modeling_esm import EsmPreTrainedModel, EsmModel +import torch +import torch.nn as nn +from typing import Optional, Union, Tuple +from transformers.models.auto.modeling_auto import AutoModel +from transformers.models.auto.tokenization_auto import AutoTokenizer +from torch.nn import MSELoss +from transformers.modeling_outputs import TokenClassifierOutput +import numpy as np +import re +from utils.lora_utils import LoRAConfig, modify_with_lora +from models.enm_adaptor_heads import ( + ENMAdaptedAttentionClassifier, ENMAdaptedDirectClassifier, + ENMAdaptedConvClassifier, ENMNoAdaptorClassifier +) +from peft import LoraConfig, inject_adapter_in_model + +class EsmForTokenRegression(EsmPreTrainedModel): + _keys_to_ignore_on_load_unexpected = [r"pooler"] + _keys_to_ignore_on_load_missing = [r"position_ids"] + + def __init__(self, config, class_config): + super().__init__(config) + self.num_labels = config.num_labels + self.add_pearson_loss = class_config.add_pearson_loss + self.add_sse_loss = class_config.add_sse_loss + + self.esm = EsmModel(config, add_pooling_layer=False) + self.dropout = nn.Dropout(config.hidden_dropout_prob) + + if class_config.adaptor_architecture == 'attention': + self.classifier = ENMAdaptedAttentionClassifier( + config.hidden_size, + class_config.num_labels, + class_config.enm_embed_dim, + class_config.enm_att_heads + ) + elif class_config.adaptor_architecture == 'direct': + self.classifier = ENMAdaptedDirectClassifier( + config.hidden_size, + class_config.num_labels + ) + elif class_config.adaptor_architecture == 'conv': + self.classifier = ENMAdaptedConvClassifier( + config.hidden_size, + class_config.num_labels, + class_config.kernel_size, + class_config.enm_embed_dim, + class_config.num_layers + ) + elif class_config.adaptor_architecture == 'no-adaptor': + self.classifier = ENMNoAdaptorClassifier( + config.hidden_size, + class_config.num_labels + ) + else: + raise ValueError('Only attention, direct, conv and no-adaptor architectures are supported.') + + self.init_weights() + + def forward( + self, + enm_vals=None, + input_ids: Optional[torch.LongTensor] = None, + attention_mask: Optional[torch.Tensor] = None, + position_ids: Optional[torch.LongTensor] = None, + head_mask: Optional[torch.Tensor] = None, + inputs_embeds: Optional[torch.FloatTensor] = None, + labels: Optional[torch.FloatTensor] = None, + output_attentions: Optional[bool] = None, + output_hidden_states: Optional[bool] = None, + return_dict: Optional[bool] = None, + ) -> Union[Tuple, TokenClassifierOutput]: + + return_dict = return_dict if return_dict is not None else self.config.use_return_dict + + outputs = self.esm( + input_ids, + attention_mask=attention_mask, + position_ids=position_ids, + head_mask=head_mask, + inputs_embeds=inputs_embeds, + output_attentions=output_attentions, + output_hidden_states=output_hidden_states, + return_dict=return_dict, + ) + + sequence_output = outputs[0] + sequence_output = self.dropout(sequence_output) + + logits = self.classifier(sequence_output, enm_vals, attention_mask) + + if not return_dict: + output = (logits,) + outputs[2:] + return output + + return TokenClassifierOutput( + logits=logits, + hidden_states=outputs.hidden_states, + attentions=outputs.attentions, + ) + +def ESM_classification_model(half_precision, class_config, lora_config): + # Load ESM and tokenizer + if not half_precision: + model = EsmModel.from_pretrained("facebook/esm2_t36_3B_UR50D") + tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t36_3B_UR50D") + elif half_precision and torch.cuda.is_available(): + model = EsmModel.from_pretrained("facebook/esm2_t36_3B_UR50D", torch_dtype=torch.float16).to(torch.device('cuda')) + tokenizer = AutoTokenizer.from_pretrained("facebook/esm2_t36_3B_UR50D") + else: + raise ValueError('Half precision can be run on GPU only.') + + # Create new Classifier model with ESM dimensions + class_model = EsmForTokenRegression(model.config, class_config) + + # Set encoder weights to checkpoint weights + class_model.esm = model + + # Delete the checkpoint model + del model + + # Print number of trainable parameters + model_parameters = filter(lambda p: p.requires_grad, class_model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ESM_Classifier\nTrainable Parameter: " + str(params)) + + # Add model modification lora + esm_lora_peft_config = LoraConfig( + r=4, lora_alpha=1, bias="all", target_modules=["query","key","value","dense"] + ) + + # Add LoRA layers + class_model.esm = inject_adapter_in_model(esm_lora_peft_config, class_model.esm) + + # Freeze Encoder (except LoRA) + for (param_name, param) in class_model.esm.named_parameters(): + param.requires_grad = False + + for (param_name, param) in class_model.esm.named_parameters(): + if re.fullmatch(".*lora.*", param_name): #".*layer_norm.*|.*lora_[ab].*" + param.requires_grad = True + if re.fullmatch(".*layer_norm.*", param_name): #".*layer_norm.*|.*lora_[ab].*" + param.requires_grad = True + # Print trainable Parameter + model_parameters = filter(lambda p: p.requires_grad, class_model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ESM_LoRA_Classifier\nTrainable Parameter: " + str(params) + "\n") + + return class_model, tokenizer \ No newline at end of file diff --git a/models/T5_encoder_per_token.py b/models/T5_encoder_per_token.py new file mode 100644 index 0000000000000000000000000000000000000000..21fe8d17f9fd17f231abb00a805effb23ffb261a --- /dev/null +++ b/models/T5_encoder_per_token.py @@ -0,0 +1,172 @@ +import numpy as np +import torch +import torch.nn as nn +import copy +import re +from transformers import T5Config, T5PreTrainedModel, T5EncoderModel, T5Tokenizer +from transformers.models.t5.modeling_t5 import T5Stack +from transformers.modeling_outputs import TokenClassifierOutput +from transformers.utils.model_parallel_utils import assert_device_map, get_device_map +from models.enm_adaptor_heads import ENMAdaptedAttentionClassifier, ENMAdaptedDirectClassifier, ENMAdaptedConvClassifier, ENMNoAdaptorClassifier +from utils.lora_utils import LoRAConfig, modify_with_lora + +class T5EncoderForTokenClassification(T5PreTrainedModel): + + def __init__(self, config: T5Config, class_config): + super().__init__(config) + self.num_labels = class_config.num_labels + self.config = config + self.add_pearson_loss = class_config.add_pearson_loss + self.add_sse_loss = class_config.add_sse_loss + self.shared = nn.Embedding(config.vocab_size, config.d_model) + + encoder_config = copy.deepcopy(config) + encoder_config.use_cache = False + encoder_config.is_encoder_decoder = False + self.encoder = T5Stack(encoder_config, self.shared) + + self.dropout = nn.Dropout(class_config.dropout_rate) + if class_config.adaptor_architecture == 'attention': + self.classifier = ENMAdaptedAttentionClassifier(config.hidden_size, class_config.num_labels, class_config.enm_embed_dim, class_config.enm_att_heads) #nn.Linear(config.hidden_size, class_config.num_labels) + elif class_config.adaptor_architecture == 'direct': + self.classifier = ENMAdaptedDirectClassifier(config.hidden_size, class_config.num_labels) + elif class_config.adaptor_architecture == 'conv': + self.classifier = ENMAdaptedConvClassifier(config.hidden_size, class_config.num_labels, class_config.kernel_size, class_config.enm_embed_dim, class_config.num_layers) + elif class_config.adaptor_architecture == 'no-adaptor': + self.classifier = ENMNoAdaptorClassifier(config.hidden_size, class_config.num_labels) + else: + raise ValueError('Only attention, direct, conv and no-adaptor architectures are supported for the adaptor.') + + + # Initialize weights and apply final processing + self.post_init() + + # Model parallel + self.model_parallel = False + self.device_map = None + + def parallelize(self, device_map=None): + self.device_map = ( + get_device_map(len(self.encoder.block), range(torch.cuda.device_count())) + if device_map is None + else device_map + ) + assert_device_map(self.device_map, len(self.encoder.block)) + self.encoder.parallelize(self.device_map) + self.classifier = self.classifier.to(self.encoder.first_device) + self.model_parallel = True + + def deparallelize(self): + self.encoder.deparallelize() + self.encoder = self.encoder.to("cpu") + self.model_parallel = False + self.device_map = None + torch.cuda.empty_cache() + + def get_input_embeddings(self): + return self.shared + + def set_input_embeddings(self, new_embeddings): + self.shared = new_embeddings + self.encoder.set_input_embeddings(new_embeddings) + + def get_encoder(self): + return self.encoder + + def _prune_heads(self, heads_to_prune): + """ + Prunes heads of the model. heads_to_prune: dict of {layer_num: list of heads to prune in this layer} See base + class PreTrainedModel + """ + for layer, heads in heads_to_prune.items(): + self.encoder.layer[layer].attention.prune_heads(heads) + + def forward( + self, + enm_vals = None, + input_ids=None, + attention_mask=None, + head_mask=None, + inputs_embeds=None, + labels=None, + output_attentions=None, + output_hidden_states=None, + return_dict=None, + ): + return_dict = return_dict if return_dict is not None else self.config.use_return_dict + # import pdb; pdb.set_trace() + outputs = self.encoder(input_ids=input_ids, + attention_mask=attention_mask, + inputs_embeds=inputs_embeds, + head_mask=head_mask, + output_attentions=output_attentions, + output_hidden_states=output_hidden_states, + return_dict=return_dict, + ) + + sequence_output = outputs[0] + sequence_output = self.dropout(sequence_output) + #TODO: check the enm_vals are padded properly and check that the sequence limit (in the transformer) is indeed 512 + logits = self.classifier(sequence_output, enm_vals, attention_mask) + + if not return_dict: + output = (logits,) + outputs[2:] + return ((loss,) + output) if loss is not None else output + + return TokenClassifierOutput( + #loss=loss, + logits=logits, + hidden_states=outputs.hidden_states, + attentions=outputs.attentions, + ) + +def PT5_classification_model(half_precision, class_config): + # Load PT5 and tokenizer + # possible to load the half preciion model (thanks to @pawel-rezo for pointing that out) + if not half_precision: + model = T5EncoderModel.from_pretrained("Rostlab/prot_t5_xl_uniref50", local_files_only=True) + tokenizer = T5Tokenizer.from_pretrained("Rostlab/prot_t5_xl_uniref50", local_files_only=True) + elif half_precision and torch.cuda.is_available(): + tokenizer = T5Tokenizer.from_pretrained('Rostlab/prot_t5_xl_half_uniref50-enc', do_lower_case=False, local_files_only=True) + model = T5EncoderModel.from_pretrained("Rostlab/prot_t5_xl_half_uniref50-enc", torch_dtype=torch.float16, local_files_only=True).to(torch.device('cuda')) + else: + raise ValueError('Half precision can be run on GPU only.') + + # Create new Classifier model with PT5 dimensions + class_model=T5EncoderForTokenClassification(model.config,class_config) + + # Set encoder and embedding weights to checkpoint weights + class_model.shared=model.shared + class_model.encoder=model.encoder + + # Delete the checkpoint model + model=class_model + del class_model + + # Print number of trainable parameters + model_parameters = filter(lambda p: p.requires_grad, model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ProtT5_Classfier\nTrainable Parameter: "+ str(params)) + + # Add model modification lora + config = LoRAConfig('configs/lora_config.yaml') + + # Add LoRA layers + model = modify_with_lora(model, config) + + # Freeze Embeddings and Encoder (except LoRA) + for (param_name, param) in model.shared.named_parameters(): + param.requires_grad = False + for (param_name, param) in model.encoder.named_parameters(): + param.requires_grad = False + + for (param_name, param) in model.named_parameters(): + if re.fullmatch(config.trainable_param_names, param_name): + param.requires_grad = True + + # Print trainable Parameter + model_parameters = filter(lambda p: p.requires_grad, model.parameters()) + params = sum([np.prod(p.size()) for p in model_parameters]) + print("ProtT5_LoRA_Classfier\nTrainable Parameter: "+ str(params) + "\n") + + return model, tokenizer diff --git a/models/__pycache__/T5_encoder_per_token.cpython-313.pyc 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b/models/__pycache__/enm_adaptor_heads.cpython-39.pyc new file mode 100644 index 0000000000000000000000000000000000000000..16befd2f4e76897287bdcce5973e5791fdd12e51 Binary files /dev/null and b/models/__pycache__/enm_adaptor_heads.cpython-39.pyc differ diff --git a/models/enm_adaptor_heads.py b/models/enm_adaptor_heads.py new file mode 100644 index 0000000000000000000000000000000000000000..ca56557dc48afe0dfc27a4b352a63de3f73d1438 --- /dev/null +++ b/models/enm_adaptor_heads.py @@ -0,0 +1,85 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F + +class ENMAdaptedAttentionClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim, enm_embed_dim, num_att_heads): + super(ENMAdaptedAttentionClassifier, self).__init__() + self.embedding = nn.Linear(1, enm_embed_dim) + self.enm_attention = nn.MultiheadAttention(enm_embed_dim, num_att_heads) + self.layer_norm = nn.LayerNorm(enm_embed_dim) + self.enm_adaptor = nn.Linear(enm_embed_dim, seq_embedding_dim) + self.adapted_classifier = nn.Linear(2*seq_embedding_dim, out_dim) + + def forward(self, seq_embedding, enm_input): + enm_input = enm_input.transpose(0, 1) # Transpose to shape (N, B, E) for MultiheadAttention + enm_input = enm_input.unsqueeze(-1) # Add a dimension for the embedding + enm_input_embedded = self.embedding(enm_input) + enm_att, _ = self.enm_attention(enm_input_embedded, enm_input_embedded, enm_input_embedded) + enm_att = enm_att.transpose(0, 1) # Transpose back to shape (B, N, E) + enm_att = self.layer_norm(enm_att + enm_input.transpose(0, 1)) + enm_embedding = self.enm_adaptor(enm_att) + # import pdb; pdb.set_trace() + combined_embedding = torch.cat((seq_embedding, enm_embedding), dim=-1) + logits = self.adapted_classifier(combined_embedding) + return logits + +class ENMAdaptedConvClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim, kernel_size, enm_embedding_dim, num_layers): + super(ENMAdaptedConvClassifier, self).__init__() + layers = [] + self.conv1 = nn.Conv1d(1, enm_embedding_dim, kernel_size=kernel_size, padding=(kernel_size-1)//2) + layers.append(self.conv1) + layers.append(nn.ReLU()) + for i in range(num_layers-1): + layers.append(nn.Conv1d(enm_embedding_dim, enm_embedding_dim, kernel_size=kernel_size, padding=(kernel_size-1)//2)) + layers.append(nn.ReLU()) + self.conv_net = nn.Sequential(*layers) + self.adapted_classifier = nn.Linear(seq_embedding_dim+1, out_dim) + + def forward(self, seq_embedding, enm_input, attention_mask=None): + enm_input = torch.nan_to_num(enm_input, nan=0.0) + enm_input = enm_input.unsqueeze(1) + enm_input = enm_input.to(seq_embedding.device) + conv_out = self.conv_net(enm_input) + enm_embedding = conv_out.transpose(1,2) + + if attention_mask is not None: + # Use attention_mask to ignore padded elements + mask = attention_mask.unsqueeze(-1).float() + enm_embedding = enm_embedding * mask + # Compute mean over non-padded elements + + enm_embedding = enm_embedding.mean(dim=-1).unsqueeze(-1) + # enm_embedding = enm_embedding.sum(dim=2)/ mask.sum(dim=2).clamp(min=1e-9) + else: + raise ValueError('We actually want to provide the mask.') + enm_embedding = torch.mean(enm_embedding, dim=1) + + # enm_embedding = enm_embedding.unsqueeze(1).expand(-1, seq_embedding.size(1), -1) + combined_embedding = torch.cat((seq_embedding, enm_embedding), dim=-1) + logits = self.adapted_classifier(combined_embedding) + return logits + + + +class ENMAdaptedDirectClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim): + super(ENMAdaptedDirectClassifier, self).__init__() + self.adapted_classifier = nn.Linear(seq_embedding_dim+1, out_dim) + + def forward(self, seq_embedding, enm_input): + enm_input = enm_input.unsqueeze(-1) + combined_embedding = torch.cat((seq_embedding, enm_input), dim=-1) + logits = self.adapted_classifier(combined_embedding) + return logits + +class ENMNoAdaptorClassifier(nn.Module): + def __init__(self, seq_embedding_dim, out_dim): + super(ENMNoAdaptorClassifier, self).__init__() + self.adapted_classifier = nn.Linear(seq_embedding_dim, out_dim) + + def forward(self, seq_embedding, enm_input, attention_mask=None): + _ = enm_input #ignoring enm_input + logits = self.adapted_classifier(seq_embedding) + return logits \ No newline at end of file diff --git a/predict.py b/predict.py new file mode 100644 index 0000000000000000000000000000000000000000..f08c83279e06891ff8a317ffa1e80899ce7cc900 --- /dev/null +++ b/predict.py @@ -0,0 +1,246 @@ +from data.scripts.data_utils import parse_PDB +from utils.utils import ClassConfig, DataCollatorForTokenRegression, process_in_batches_and_combine, get_dot_separated_name +from models.T5_encoder_per_token import PT5_classification_model +from data.scripts.get_enm_fluctuations_for_dataset import get_fluctuation_for_json_dict +import argparse +import os +import yaml +import torch +from pathlib import Path +from Bio import SeqIO +import json +import warnings +from datetime import datetime + +from data.scripts.data_utils import modify_bfactor_biotite + +if __name__ == "__main__": + parser = argparse.ArgumentParser() + parser.add_argument("--input_file", type=str, required=True, help="Input file") + parser.add_argument("--modality", type=str, required=True, help="Indicate 'Seq' or '3D' to use Flexpert-Seq or Flexpert-3D?") + parser.add_argument("--splits_file", type=str, required=False, help="Path to the file defining the splits, in case that input_file is a dataset which should be subsampled.") + parser.add_argument("--split", type=str, required=False, help="Specify test/train/val to subselect the respective split. If specified, the splits file needs to be provided as well.") + parser.add_argument("--output_enm", action='store_true', help="If true, the ENM values will be outputted in separate file(s).") + parser.add_argument("--output_fasta", action='store_true', help="If true, the sequences used for the prediction will be outputted in a fasta file (can be relevant when working with input list of PDB files).") + parser.add_argument("--output_name", type=str, required=False, help="Name of the output file.") + args = parser.parse_args() + + args.modality = args.modality.upper() + filename, suffix = os.path.splitext(args.input_file) + + if args.modality not in ["SEQ", "3D"]: + raise ValueError("Modality must be either Seq or 3D") + if args.splits_file is not None and args.split is None: + raise ValueError("If splits_file is provided, split must be specified.") + if args.split is not None and args.splits_file is None: + raise ValueError("If split is specified, splits_file must be provided.") + if args.split is not None and args.split not in ["test", "train", "val", "validation"]: + raise ValueError("Split must be either 'test', 'train', 'val' or 'validation'") + if args.output_enm and (args.modality not in ["3D"]): + raise ValueError("Output ENM is only supported for 3D modality") + if not args.output_name: + default_name = 'untitled_{}'.format(datetime.now().strftime('%Y%m%d_%H%M%S')) + args.output_name = default_name + warnings.warn("Output name is not provided, using default name: {}".format(default_name)) + + + if args.splits_file is not None: + with open(args.splits_file, 'r') as f: + splits = json.load(f) + if 'val' in splits.keys() and args.split == 'validation': + args.split = 'val' + elif 'validation' in splits.keys() and args.split == 'val': + args.split = 'validation' + + datapoint_for_eval = splits[args.split] + else: + datapoint_for_eval = 'all' + + sequences = [] + names = [] + backbones = [] + pdb_files = [] + flucts_list = [] + + def process_pdb_file(pdb_file, backbones, sequences, names): + parsed_name = os.path.splitext(os.path.basename(pdb_file))[0].split('_') + if len(parsed_name[0]) != 4 or len(parsed_name[1]) != 1 or not parsed_name[1].isalpha(): + raise ValueError("PDB file name is expected to be in the format of 'name_chain.pdb', e.g.: 1BUI_C.pdb") + _name = parsed_name[0] + _chain = parsed_name[1] + parsed_pdb = parse_PDB(pdb_file, name=_name, input_chain_list=[_chain])[0] + backbone, sequence = parsed_pdb['coords_chain_{}'.format(_chain)], parsed_pdb['seq_chain_{}'.format(_chain)] + if len(sequence) > 1023: + print("Sequence length is greater than 1023, skipping {}".format(_name + "." + _chain)) + else: + backbones.append(backbone) + sequences.append(sequence) + names.append(_name + "." + _chain) + return backbones, sequences, names + + if suffix == ".fasta": + if args.modality == "3D": + raise ValueError("Flexpert-3D needs the structure, fasta is not enough") + + # Load FASTA file using Biopython + for record in SeqIO.parse(args.input_file, "fasta"): + if '_' in record.name: + dot_separated_name = '.'.join(record.name.split('_')) + elif '.' in record.name: + dot_separated_name = record.name + else: + raise ValueError("Sequence name must contain either an underscore or a dot to separate the PDB code and the chain code.") + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + names.append(dot_separated_name) + sequences.append(str(record.seq)) + backbones.append(None) + + elif suffix == ".pdb": + backbones, sequences, names = process_pdb_file(args.input_file, backbones, sequences, names) + pdb_files.append(args.input_file) + + elif suffix == ".jsonl": + for line in open(args.input_file, 'r'): + _dict = json.loads(line) + + if 'fluctuations' in _dict.keys(): + print("fluctuations are precomputed, using them") + dot_separated_name = get_dot_separated_name(key='pdb_name', _dict=_dict) + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + + names.append(_dict['pdb_name']) + backbones.append(None) + sequences.append(_dict['sequence']) + + flucts_list.append(_dict['fluctuations']+[0.0]) #padding for end cls token + continue + + dot_separated_name = get_dot_separated_name(key='name', _dict=_dict) + + if datapoint_for_eval == 'all' or dot_separated_name in datapoint_for_eval: + backbones.append(_dict['coords']) + sequences.append(_dict['seq']) + names.append(dot_separated_name) + + elif suffix == ".pdb_list": + with open(args.input_file, 'r') as f: + pdb_files = f.read().splitlines() + for pdb_file in pdb_files: + backbones, sequences, names = process_pdb_file(pdb_file, backbones, sequences, names) + + else: + raise ValueError("Input file must be a fasta, pdb, jsonl file or a pdb list file") + + ### Set environment variables + env_config = yaml.load(open('configs/env_config.yaml', 'r'), Loader=yaml.FullLoader) + # Set folder for huggingface cache + os.environ['HF_HOME'] = env_config['huggingface']['HF_HOME'] + # Set gpu device + os.environ["CUDA_VISIBLE_DEVICES"]= env_config['gpus']['cuda_visible_device'] + + config = yaml.load(open('configs/train_config.yaml', 'r'), Loader=yaml.FullLoader) + class_config=ClassConfig(config) + class_config.adaptor_architecture = 'no-adaptor' if args.modality == 'SEQ' else 'conv' + model, tokenizer = PT5_classification_model(half_precision=config['mixed_precision'], class_config=class_config) + + model.to(config['inference_args']['device']) + if args.modality == 'SEQ': + state_dict = torch.load(config['inference_args']['seq_model_path'], map_location=config['inference_args']['device']) + model.load_state_dict(state_dict, strict=False) + elif args.modality == '3D': + print("Loading 3D model from {}".format(config['inference_args']['3d_model_path'])) + state_dict = torch.load(config['inference_args']['3d_model_path'], map_location=config['inference_args']['device']) + model.load_state_dict(state_dict, strict=False) + model.eval() + + data_to_collate = [] + for idx, (backbone, sequence) in enumerate(zip(backbones, sequences)): + + if args.modality == '3D': + if backbone is not None: + _dict = {'coords': backbone, 'seq': sequence} + flucts, _ = get_fluctuation_for_json_dict(_dict, enm_type = config['inference_args']['enm_type']) + flucts = flucts.tolist() + flucts.append(0.0) #To match the special token for the sequence + flucts = torch.tensor(flucts).to(config['inference_args']['device']) + else: + flucts = flucts_list[idx] + + #Ensure that the missing residues in the sequence are not represented as '-' but as 'X' + sequence = sequence.replace('-', 'X') #due to the tokenizer vocabulary + + tokenizer_out = tokenizer(' '.join(sequence), add_special_tokens=True, return_tensors='pt') + tokenized_seq, attention_mask = tokenizer_out['input_ids'].to(config['inference_args']['device']), tokenizer_out['attention_mask'].to(config['inference_args']['device']) + + if args.modality == '3D': + data_to_collate.append({'input_ids': tokenized_seq[0,:], 'attention_mask': attention_mask[0,:], 'enm_vals': flucts}) + elif args.modality == 'SEQ': + data_to_collate.append({'input_ids': tokenized_seq[0,:], 'attention_mask': attention_mask[0,:]}) + + # Use the data collator to process the input + data_collator = DataCollatorForTokenRegression(tokenizer) + + batch = data_collator(data_to_collate) # Wrap in list since collator expects batch + batch.to(model.device) + for key in batch.keys(): + print("___________-", key, "-___________") + for b in batch[key]: + if key == 'attention_mask': + print(b.sum()) + else: + print(b.shape) + + # Predict + with torch.no_grad(): + output_logits = process_in_batches_and_combine(model, batch, config['inference_args']['batch_size']) + predictions = output_logits[:,:,0] #includes the prediction for the added token + # subselect the predictions using the attention mask + + output_filename = Path(config['inference_args']['prediction_output_dir'].format(args.output_name, args.modality, 'all' if not args.split else args.split)) + output_filename.parent.mkdir(parents=True, exist_ok=True) + + #Write the predictions to files + with open(output_filename.with_suffix('.txt'), 'w') as f: + print("Saving predictions to {}.".format(output_filename)) + for prediction, mask, name, sequence in zip(predictions, batch['attention_mask'], names, sequences): + prediction = prediction[mask.bool()] + if len(prediction) != len(sequence)+1: + print("Prediction length {} is not equal to sequence length + 1 {}".format(len(prediction), len(sequence)+1)) + + assert len(prediction) == len(sequence)+1, "Prediction length {} is not equal to sequence length + 1 {}".format(len(prediction), len(sequence)+1) + if '.' in name: + name = name.replace('.', '_') + f.write('>' + name + '\n') + f.write(', '.join([str(p) for p in prediction.tolist()[:-1]]) + '\n') + + if suffix == ".pdb" or suffix == ".pdb_list": + for name, pdb_file, prediction in zip(names, pdb_files, predictions): + chain_id = name.split('.')[1] + _prediction = prediction[:-1].reshape(1,-1) + _outname = output_filename.with_name(output_filename.stem + '_{}.pdb'.format(name.replace('.', '_'))) + print("Saving prediction to {}.".format(_outname)) + modify_bfactor_biotite(pdb_file, chain_id, _outname, _prediction) #writing the prediction without the last token + + if args.output_enm: + _outname = output_filename.with_name(output_filename.stem + '_enm.txt') + with open(_outname, 'w') as f: + print("Saving ENM predictions to {}.".format(_outname)) + for enm_prediction, name in zip(batch['enm_vals'], names): + f.write('>' + name + '\n') + f.write(', '.join([str(p) for p in enm_prediction.tolist()[:-1]]) + '\n') + + if suffix == ".pdb" or suffix == ".pdb_list": + for name, pdb_file, enm_vals_single in zip(names, pdb_files, batch['enm_vals']): + _outname = output_filename.with_name(output_filename.stem + '_{}.pdb'.format(name.replace('.', '_'))) + print("Saving ENM prediction to {}.".format(_outname)) + chain_id = name.split('.')[1] + _enm_vals = enm_vals_single[:-1].reshape(1,-1) + modify_bfactor_biotite(pdb_file, chain_id, _outname, _enm_vals) #writing the prediction without the last token + + if args.output_fasta: + _outname = output_filename.with_name(output_filename.stem + '_fasta.fasta') + with open(_outname, 'w') as f: + print("Saving fasta to {}.".format(_outname)) + for name, sequence in zip(names, sequences): + f.write('>' + name + '\n') + f.write(sequence + '\n') \ No newline at end of file diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..a831d3958daf67674400fb0a34403b68e18495cf --- /dev/null +++ b/requirements.txt @@ -0,0 +1,17 @@ +biotite +datasets +matplotlib +numpy +pandas +peft +PyYAML +requests +scikit_learn +scipy +torch +tqdm +transformers +sentencepiece +ProDy +evaluate +gradio \ No newline at end of file diff --git a/train.py b/train.py new file mode 100644 index 0000000000000000000000000000000000000000..db872f59ba0982c62fec06158c0257f18b2872a2 --- /dev/null +++ b/train.py @@ -0,0 +1,208 @@ +#import dependencies +import os +import yaml +import numpy as np +import torch +import torch.nn as nn +import torch.nn.functional as F +import numpy as np +import pandas as pd +import copy +import random +import warnings +import json +import tempfile +import matplotlib.pyplot as plt +from io import StringIO +from collections.abc import Mapping +from dataclasses import dataclass +from random import randint +from typing import Any, Callable, Dict, List, NewType, Optional, Tuple, Union +from sklearn.metrics import accuracy_score +from sklearn.model_selection import train_test_split +from scipy import stats +from Bio import SeqIO +from tqdm import tqdm + +from torch.nn import BCEWithLogitsLoss, CrossEntropyLoss, MSELoss +from torch.utils.data import DataLoader + +import transformers +from transformers import T5EncoderModel, T5Tokenizer, TrainingArguments, Trainer, set_seed +from transformers.modeling_outputs import TokenClassifierOutput +from transformers import T5Config, T5PreTrainedModel +from transformers.models.t5.modeling_t5 import T5Stack +from transformers.utils.model_parallel_utils import assert_device_map, get_device_map + +from datasets import Dataset + +import wandb +import argparse +from datetime import datetime + +# from utils.lora_utils import LoRAConfig, modify_with_lora +from utils.utils import ( + ClassConfig, ENMAdaptedTrainer, set_seeds, create_dataset, save_finetuned_model, + DataCollatorForTokenRegression, do_topology_split, update_config, compute_metrics +) +from models.T5_encoder_per_token import PT5_classification_model, T5EncoderForTokenClassification +from models.enm_adaptor_heads import ( + ENMAdaptedAttentionClassifier, ENMAdaptedDirectClassifier, + ENMAdaptedConvClassifier, ENMNoAdaptorClassifier +) + +def parse_args(): + parser = argparse.ArgumentParser(description='Train a model on the CATH dataset') + # Required arguments + parser.add_argument('--run_name', type=str, required=True, help='Name of the run.') + parser.add_argument('--adaptor_architecture', type=str, required=True, help='What model to use to adapt the ENM values into the sequence latent space.') + + # Optional arguments + parser.add_argument('--data_path', type=str, help='Path to the data file') + parser.add_argument('--batch_size', type=int, help='Size of the batch for training.') + parser.add_argument('--epochs', type=int, help='Number of epochs for training.') + parser.add_argument('--save_steps', type=int, help='After how many training steps to save the checkpoint.') + parser.add_argument('--add_pearson_loss', action='store_true', help='If provided, Pearson correlation term will be added to the loss function.') + parser.add_argument('--add_sse_loss', action='store_true', help='If provided, term forcing the model to predict same values along sse blocks will be added to the loss function.') + parser.add_argument('--fasta_path', type=str, help='Path to the FASTA file with the AA sequences for the dataset.') + parser.add_argument('--enm_path', type=str, help='Path to the enm file with precomputed flexibilities (ENM).') + parser.add_argument('--splits_path', type=str, help='Path to the file with the data splits.') + + #Optional ENM adaptor arguments + parser.add_argument('--enm_embed_dim', type=int, help='Dimension of the ENM embedding / number of conv filters.') + parser.add_argument('--enm_att_heads', type=int, help='Number of attention heads for the ENM embedding.') + parser.add_argument('--num_layers', type=int, help='Number of conv layers in the ENM adaptor.') + parser.add_argument('--kernel_size', type=int, help='Size of the convolutional kernels in the ENM adaptor.') + parser.add_argument('--mixed_precision', action='store_true', help='Enable mixed precision training.') + parser.add_argument('--gradient_accumulation_steps', type=int, help='Number of steps to accumulate gradients before performing a backward/update pass.') + return parser.parse_args() + +def preprocess_data(tokenizer, train, valid, test): + + train = train[["sequence", "label", "enm_vals"]] + valid = valid[["sequence", "label", "enm_vals"]] + test = test[["sequence", "label", "enm_vals"]] + + train.reset_index(drop=True,inplace=True) + valid.reset_index(drop=True,inplace=True) + test.reset_index(drop=True,inplace=True) + + # Replace invalid labels (>900) with -100 (will be ignored by pytorch loss) + train['label'] = train.apply(lambda row: [-100 if x > 900 else x for x in row['label']], axis=1) + valid['label'] = valid.apply(lambda row: [-100 if x > 900 else x for x in row['label']], axis=1) + test['label'] = test.apply(lambda row: [-100 if x > 900 else x for x in row['label']], axis=1) + + # Preprocess inputs for the model + # Replace uncommon AAs with "X" + train["sequence"]=train["sequence"].str.replace('|'.join(["O","B","U","Z","-"]),"X",regex=True) + valid["sequence"]=valid["sequence"].str.replace('|'.join(["O","B","U","Z","-"]),"X",regex=True) + # Add spaces between each amino acid for PT5 to correctly use them + train['sequence']=train.apply(lambda row : " ".join(row["sequence"]), axis = 1) + valid['sequence']=valid.apply(lambda row : " ".join(row["sequence"]), axis = 1) + + + # Create Datasets + train_set=create_dataset(tokenizer,list(train['sequence']),list(train['label']),list(train['enm_vals'])) + valid_set=create_dataset(tokenizer,list(valid['sequence']),list(valid['label']),list(valid['enm_vals'])) + + return train_set, valid_set, test + +if __name__=='__main__': + ### Read and update config + args = parse_args() + config = yaml.load(open('configs/train_config.yaml', 'r'), Loader=yaml.FullLoader) + config = update_config(config, args) + # Update training arguments + config['training_args']['run_name'] = config['run_name'] + config['training_args']['output_dir'] = config['training_args']['output_dir'].format( + run_name=config['run_name'], + timestamp=datetime.now().strftime("%Y%m%d_%H%M%S") + ) + config['training_args']['fp16'] = config['mixed_precision'] + config['training_args']['gradient_accumulation_steps'] = config['gradient_accumulation_steps'] + config['training_args']['num_train_epochs'] = config['epochs'] + config['training_args']['per_device_train_batch_size'] = config['batch_size'] + config['training_args']['per_device_eval_batch_size'] = config['batch_size'] + config['training_args']['eval_steps'] = config['training_args']['save_steps'] + + print("Training with the following config: \n", config) + + env_config = yaml.load(open('configs/env_config.yaml', 'r'), Loader=yaml.FullLoader) + + ### Set environment variables + # Set folder for huggingface cache + os.environ['HF_HOME'] = env_config['huggingface']['HF_HOME'] + # Set gpu device + os.environ["CUDA_VISIBLE_DEVICES"]= env_config['gpus']['cuda_visible_device'] + + ### Initialize wandb + wandb.init(project=env_config['wandb']['project'], name=config['run_name'], config = config) + + ### Load data - into dataframe + DATA_PATH = config['data_path'] + FASTA_PATH = config['fasta_path'] + ENM_PATH = config['enm_path'] + SPLITS_PATH = config['splits_path'] + + sequences, names, labels, enm_vals = [], [], [], [] + + with open(FASTA_PATH, "r") as fasta_file: + # Load FASTA file using Biopython + for record in SeqIO.parse(fasta_file, "fasta"): + sequences.append([record.name, str(record.seq)]) + # Create dataframe + df = pd.DataFrame(sequences, columns=["name", "sequence"]) + + with open(ENM_PATH, "r") as f: + enm_lines = f.readlines() + enm_vals_dict={} + for l in enm_lines: + _d = json.loads(l) + _key = ".".join(_d['pdb_name'].split("_")) + enm_vals_dict[_key] = _d['fluctuations'] + enm_vals_dict[_key].append(0.0) + + with open(DATA_PATH, "r") as f: + lines = f.readlines() + # Split each line into name and label + for l in lines: + _split_line = l.split(":\t") + names.append(_split_line[0]) + labels.append([float(label) for label in _split_line[1].split(", ")]) + enm_vals.append(enm_vals_dict[_split_line[0]]) + + # Add label and enm_vals columns + df["label"] = labels + df["enm_vals"] = enm_vals + + ### Set all random seeds + set_seeds(config['seed']) + + ### Load model + class_config=ClassConfig(config) + model, tokenizer = PT5_classification_model(half_precision=config['mixed_precision'], class_config=class_config) + + ### Split data into train, valid, test and preprocess + train,valid,test = do_topology_split(df, SPLITS_PATH) + train_set, valid_set, test = preprocess_data(tokenizer, train, valid, test) + + ### Set training arguments + training_args = TrainingArguments(**config['training_args']) + + ### For token classification (regression) we need a data collator here to pad correctly + data_collator = DataCollatorForTokenRegression(tokenizer) + + ### Trainer + trainer = ENMAdaptedTrainer( + model, + training_args, + train_dataset=train_set, + eval_dataset=valid_set, + tokenizer=tokenizer, + data_collator=data_collator, + compute_metrics=compute_metrics + ) + + ### Train model and save + trainer.train() + save_finetuned_model(trainer.model,config['training_args']['output_dir']) \ No newline at end of file diff --git a/utils/__pycache__/lora_utils.cpython-313.pyc b/utils/__pycache__/lora_utils.cpython-313.pyc new file mode 100644 index 0000000000000000000000000000000000000000..9d60a9c057be3dbec15a15d961ec5a11dc704141 Binary files /dev/null and b/utils/__pycache__/lora_utils.cpython-313.pyc differ diff --git a/utils/__pycache__/lora_utils.cpython-39.pyc b/utils/__pycache__/lora_utils.cpython-39.pyc new file mode 100644 index 0000000000000000000000000000000000000000..244b04c8e3f084ed2748e3c9832161e65683f780 Binary files /dev/null and b/utils/__pycache__/lora_utils.cpython-39.pyc differ diff --git a/utils/__pycache__/utils.cpython-313.pyc b/utils/__pycache__/utils.cpython-313.pyc new file mode 100644 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config + for key, value in config.items(): + setattr(self, key, value) + +class LoRALinear(nn.Module): + def __init__(self, linear_layer, rank, scaling_rank, init_scale): + super().__init__() + self.in_features = linear_layer.in_features + self.out_features = linear_layer.out_features + self.rank = rank + self.scaling_rank = scaling_rank + self.weight = linear_layer.weight + self.bias = linear_layer.bias + if self.rank > 0: + self.lora_a = nn.Parameter(torch.randn(rank, linear_layer.in_features) * init_scale) + if init_scale < 0: + self.lora_b = nn.Parameter(torch.randn(linear_layer.out_features, rank) * init_scale) + else: + self.lora_b = nn.Parameter(torch.zeros(linear_layer.out_features, rank)) + if self.scaling_rank: + self.multi_lora_a = nn.Parameter( + torch.ones(self.scaling_rank, linear_layer.in_features) + + torch.randn(self.scaling_rank, linear_layer.in_features) * init_scale + ) + if init_scale < 0: + self.multi_lora_b = nn.Parameter( + torch.ones(linear_layer.out_features, self.scaling_rank) + + torch.randn(linear_layer.out_features, self.scaling_rank) * init_scale + ) + else: + self.multi_lora_b = nn.Parameter(torch.ones(linear_layer.out_features, self.scaling_rank)) + + def forward(self, input): + if self.scaling_rank == 1 and self.rank == 0: + # parsimonious implementation for ia3 and lora scaling + if self.multi_lora_a.requires_grad: + hidden = F.linear((input * self.multi_lora_a.flatten()), self.weight, self.bias) + else: + hidden = F.linear(input, self.weight, self.bias) + if self.multi_lora_b.requires_grad: + hidden = hidden * self.multi_lora_b.flatten() + return hidden + else: + # general implementation for lora (adding and scaling) + weight = self.weight + if self.scaling_rank: + weight = weight * torch.matmul(self.multi_lora_b, self.multi_lora_a) / self.scaling_rank + if self.rank: + weight = weight + torch.matmul(self.lora_b, self.lora_a) / self.rank + return F.linear(input, weight, self.bias) + + def extra_repr(self): + return "in_features={}, out_features={}, bias={}, rank={}, scaling_rank={}".format( + self.in_features, self.out_features, self.bias is not None, self.rank, self.scaling_rank + ) + + +def modify_with_lora(transformer, config): + for m_name, module in dict(transformer.named_modules()).items(): + if re.fullmatch(config.lora_modules, m_name): + for c_name, layer in dict(module.named_children()).items(): + if re.fullmatch(config.lora_layers, c_name): + assert isinstance( + layer, nn.Linear + ), f"LoRA can only be applied to torch.nn.Linear, but {layer} is {type(layer)}." + setattr( + module, + c_name, + LoRALinear(layer, config.lora_rank, config.lora_scaling_rank, config.lora_init_scale), + ) + return transformer \ No newline at end of file diff --git a/utils/utils.py b/utils/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..5f9b9814ec5d5ef522675ae15b76f3ff8510b0a4 --- /dev/null +++ b/utils/utils.py @@ -0,0 +1,382 @@ +import torch +import os +import json +from transformers.tokenization_utils_base import PreTrainedTokenizerBase +from transformers.utils import PaddingStrategy +from transformers.data.data_collator import DataCollatorMixin +from evaluate import load +from transformers import Trainer, set_seed +from torch.nn import MSELoss +from dataclasses import dataclass +from typing import Union, Optional +from datasets import Dataset +import numpy as np +import random +from tqdm import tqdm + +@dataclass +class DataCollatorForTokenRegression(DataCollatorMixin): + """ + Data collator that will dynamically pad the inputs received, as well as the labels. + Args: + tokenizer ([`PreTrainedTokenizer`] or [`PreTrainedTokenizerFast`]): + The tokenizer used for encoding the data. + padding (`bool`, `str` or [`~utils.PaddingStrategy`], *optional*, defaults to `True`): + Select a strategy to pad the returned sequences (according to the model's padding side and padding index) + among: + - `True` or `'longest'` (default): Pad to the longest sequence in the batch (or no padding if only a single + sequence is provided). + - `'max_length'`: Pad to a maximum length specified with the argument `max_length` or to the maximum + acceptable input length for the model if that argument is not provided. + - `False` or `'do_not_pad'`: No padding (i.e., can output a batch with sequences of different lengths). + max_length (`int`, *optional*): + Maximum length of the returned list and optionally padding length (see above). + pad_to_multiple_of (`int`, *optional*): + If set will pad the sequence to a multiple of the provided value. + This is especially useful to enable the use of Tensor Cores on NVIDIA hardware with compute capability >= + 7.5 (Volta). + label_pad_token_id (`int`, *optional*, defaults to -100): + The id to use when padding the labels (-100 will be automatically ignore by PyTorch loss functions). + return_tensors (`str`): + The type of Tensor to return. Allowable values are "np", "pt" and "tf". + """ + + tokenizer: PreTrainedTokenizerBase + padding: Union[bool, str, PaddingStrategy] = True + max_length: Optional[int] = None + pad_to_multiple_of: Optional[int] = None + label_pad_token_id: int = -100 + return_tensors: str = "pt" + + def torch_call(self, features): + label_name = "label" if "label" in features[0].keys() else "labels" + labels = [feature[label_name] for feature in features] if label_name in features[0].keys() else None + + no_labels_features = [{k: v for k, v in feature.items() if k != label_name and k!= 'enm_vals'} for feature in features] + + batch = self.tokenizer.pad( + no_labels_features, + padding=self.padding, + max_length=self.max_length, + pad_to_multiple_of=self.pad_to_multiple_of, + return_tensors="pt", + ) + if 'enm_vals' in features[0]: + batch['enm_vals'] = torch.nn.utils.rnn.pad_sequence([torch.tensor(feature['enm_vals'], dtype=torch.float) for feature in features], batch_first=True, padding_value=0.0) + #batch = self.tokenizer.pad(no_labels_features,padding=self.padding,max_length=self.max_length,pad_to_multiple_of=self.pad_to_multiple_of,return_tensors="pt") + if labels is None: + return batch + + sequence_length = batch["input_ids"].shape[1] + padding_side = self.tokenizer.padding_side + + def to_list(tensor_or_iterable): + if isinstance(tensor_or_iterable, torch.Tensor): + return tensor_or_iterable.tolist() + return list(tensor_or_iterable) + + if padding_side == "right": + batch[label_name] = [ + to_list(label) + [self.label_pad_token_id] * (sequence_length - len(label)) for label in labels + + ] + else: + batch[label_name] = [ + [self.label_pad_token_id] * (sequence_length - len(label)) + to_list(label) for label in labels + ] + + batch[label_name] = torch.tensor(batch[label_name], dtype=torch.float) + return batch + +def _torch_collate_batch(examples, tokenizer, pad_to_multiple_of: Optional[int] = None): + """Collate `examples` into a batch, using the information in `tokenizer` for padding if necessary.""" + # Tensorize if necessary. + if isinstance(examples[0], (list, tuple, np.ndarray)): + examples = [torch.tensor(e, dtype=torch.long) for e in examples] + + length_of_first = examples[0].size(0) + + # Check if padding is necessary. + + are_tensors_same_length = all(x.size(0) == length_of_first for x in examples) + if are_tensors_same_length and (pad_to_multiple_of is None or length_of_first % pad_to_multiple_of == 0): + return torch.stack(examples, dim=0) + + # If yes, check if we have a `pad_token`. + if tokenizer._pad_token is None: + raise ValueError( + "You are attempting to pad samples but the tokenizer you are using" + f" ({tokenizer.__class__.__name__}) does not have a pad token." + ) + + # Creating the full tensor and filling it with our data. + max_length = max(x.size(0) for x in examples) + if pad_to_multiple_of is not None and (max_length % pad_to_multiple_of != 0): + max_length = ((max_length // pad_to_multiple_of) + 1) * pad_to_multiple_of + result = examples[0].new_full([len(examples), max_length], tokenizer.pad_token_id) + for i, example in enumerate(examples): + if tokenizer.padding_side == "right": + result[i, : example.shape[0]] = example + else: + result[i, -example.shape[0] :] = example + return result + +def tolist(x): + if isinstance(x, list): + return x + elif hasattr(x, "numpy"): # Checks for TF tensors without needing the import + x = x.numpy() + return x.tolist() + + +class ClassConfig: + def __init__(self, dropout=0.2, num_labels=1, add_pearson_loss=False, add_sse_loss=False, adaptor_architecture = None , enm_embed_dim = 512, enm_att_heads = 8, kernel_size = 3, num_layers = 2): + self.dropout_rate = dropout + self.num_labels = num_labels + self.add_pearson_loss = add_pearson_loss + self.add_sse_loss = add_sse_loss + self.adaptor_architecture = adaptor_architecture + self.enm_embed_dim = enm_embed_dim + self.enm_att_heads = enm_att_heads + self.kernel_size = kernel_size + self.num_layers = num_layers + +class ENMAdaptedTrainer(Trainer): + def compute_loss(self, model, inputs, return_outputs=False): + labels = inputs.get("labels") + #enm_vals = inputs.get("enm_vals") + + outputs = model(**inputs) + logits = outputs.get('logits') + mask = inputs.get('attention_mask') + loss_fct = MSELoss() + + active_loss = mask.view(-1) == 1 + active_logits = logits.view(-1) + active_labels = torch.where(active_loss, labels.view(-1), torch.tensor(-100).type_as(labels)) + valid_logits=active_logits[active_labels!=-100] + valid_labels=active_labels[active_labels!=-100] + + loss = loss_fct(valid_labels, valid_logits) + return (loss, outputs) if return_outputs else loss + +# Set random seeds for reproducibility of your trainings run +def set_seeds(s): + torch.manual_seed(s) + np.random.seed(s) + random.seed(s) + set_seed(s) + +# Dataset creation +def create_dataset(tokenizer,seqs,labels, enm_vals, names=None): + tokenized = tokenizer(seqs, max_length=1024, padding=False, truncation=True) + dataset = Dataset.from_dict(tokenized) + # we need to cut of labels after 1023 positions for the data collator to add the correct padding (1023 + 1 special tokens) + labels = [l[:1023] for l in labels] + enm_vals = [enm[:1023] for enm in enm_vals] #pad the enm values with 0.0 to account for the special token + + for enm in enm_vals: + if len(enm) == 1023: + enm.append(0.0) + + dataset = dataset.add_column("labels", labels) + dataset = dataset.add_column("enm_vals", enm_vals) + if names: + dataset = dataset.add_column("name", names) + return dataset + + +def do_topology_split(df, split_path): + + with open(split_path, 'r') as f: + splits = json.load(f) + #split the dataframe according to the splits + train_df = df[df['name'].isin(splits['train'])] + valid_df = df[df['name'].isin(splits['validation'])] + test_df = df[df['name'].isin(splits['test'])] + return train_df, valid_df, test_df + +def save_finetuned_model(model, target_folder): + # Saves all parameters that were changed during finetuning + filepath = os.path.join(target_folder, "final_model") + model.save_pretrained(filepath, safe_serialization=False) + print(f"Final model saved to {filepath}") + + +def update_config(config, args): + # Update config with any non-None command-line arguments + for arg in vars(args): + if getattr(args, arg) is not None: + config[arg] = getattr(args, arg) + return config + +class ClassConfig: + def __init__(self, config): + # Set class attributes based on the loaded YAML config + for key, value in config.items(): + setattr(self, key, value) + +def compute_metrics(eval_pred): + """ + Compute metrics for evaluation - used by the HuggingFace Trainer + """ + predictions, labels = eval_pred + predictions=predictions.flatten() + labels=labels.flatten() + + valid_labels=labels[np.where((labels != -100 ) & (labels < 900 ))] + valid_predictions=predictions[np.where((labels != -100 ) & (labels < 900 ))] + #assuming the ENM vals are subtracted from the labels for correct evaluation + spearman = load("spearmanr") + pearson = load("pearsonr") + mse = load("mse") + return {"spearmanr": spearman.compute(predictions=valid_predictions, references=valid_labels)['spearmanr'], + "pearsonr": pearson.compute(predictions=valid_predictions, references=valid_labels)['pearsonr'], + "mse": mse.compute(predictions=valid_predictions, references=valid_labels)['mse']} + +### ESM-2 + +# based on transformers DataCollatorForTokenClassification +@dataclass +class DataCollatorForTokenRegression_esm(DataCollatorMixin): + """ + Data collator that will dynamically pad the inputs received, as well as the labels. + Args: + tokenizer ([`PreTrainedTokenizer`] or [`PreTrainedTokenizerFast`]): + The tokenizer used for encoding the data. + padding (`bool`, `str` or [`~utils.PaddingStrategy`], *optional*, defaults to `True`): + Select a strategy to pad the returned sequences (according to the model's padding side and padding index) + among: + - `True` or `'longest'` (default): Pad to the longest sequence in the batch (or no padding if only a single + sequence is provided). + - `'max_length'`: Pad to a maximum length specified with the argument `max_length` or to the maximum + acceptable input length for the model if that argument is not provided. + - `False` or `'do_not_pad'`: No padding (i.e., can output a batch with sequences of different lengths). + max_length (`int`, *optional*): + Maximum length of the returned list and optionally padding length (see above). + pad_to_multiple_of (`int`, *optional*): + If set will pad the sequence to a multiple of the provided value. + This is especially useful to enable the use of Tensor Cores on NVIDIA hardware with compute capability >= + 7.5 (Volta). + label_pad_token_id (`int`, *optional*, defaults to -100): + The id to use when padding the labels (-100 will be automatically ignore by PyTorch loss functions). + return_tensors (`str`): + The type of Tensor to return. Allowable values are "np", "pt" and "tf". + """ + + tokenizer: PreTrainedTokenizerBase + padding: Union[bool, str, PaddingStrategy] = True + max_length: Optional[int] = None + pad_to_multiple_of: Optional[int] = None + label_pad_token_id: int = -100 + return_tensors: str = "pt" + + def torch_call(self, features): + import torch + + label_name = "label" if "label" in features[0].keys() else "labels" + labels = [feature[label_name] for feature in features] if label_name in features[0].keys() else None + + no_labels_features = [{k: v for k, v in feature.items() if k != label_name and k != 'enm_vals'} for feature in features] + + batch = self.tokenizer.pad( + no_labels_features, + padding=self.padding, + max_length=self.max_length, + pad_to_multiple_of=self.pad_to_multiple_of, + return_tensors="pt", + ) + + # Handle ENM values padding + if "enm_vals" in features[0]: + max_length = batch["input_ids"].shape[1] + padded_enm_vals = [] + for feature in features: + enm = feature['enm_vals'] + if len(enm) < max_length: + enm = enm + [0.0] * (max_length - len(enm)) # pad with zeros + elif len(enm) > max_length: + enm = enm[:max_length] # truncate + padded_enm_vals.append(enm) + batch["enm_vals"] = torch.tensor(padded_enm_vals, dtype=torch.float) + + if labels is None: + return batch + + sequence_length = batch["input_ids"].shape[1] + padding_side = self.tokenizer.padding_side + + def to_list(tensor_or_iterable): + if isinstance(tensor_or_iterable, torch.Tensor): + return tensor_or_iterable.tolist() + return list(tensor_or_iterable) + + if padding_side == "right": + # changed to pad the special tokens at the beginning and end of the sequence + batch[label_name] = [ + [self.label_pad_token_id] + to_list(label) + [self.label_pad_token_id] * (sequence_length - len(label) - 1) + for label in labels + ] + else: + batch[label_name] = [ + [self.label_pad_token_id] * (sequence_length - len(label)) + to_list(label) + for label in labels + ] + + batch[label_name] = torch.tensor(batch[label_name], dtype=torch.float) + return batch + +#load ESM2 models +def load_esm_model_regression(checkpoint, half_precision, full = False, deepspeed=True): + + tokenizer = AutoTokenizer.from_pretrained(checkpoint) + + if half_precision and deepspeed: + model = EsmForTokenRegression.from_pretrained(checkpoint, num_labels = 1, torch_dtype = torch.float16) + else: + model = EsmForTokenRegression.from_pretrained(checkpoint, num_labels = 1) + + if full == True: + return model, tokenizer + + peft_config = LoraConfig( + r=4, lora_alpha=1, bias="all", target_modules=["query","key","value","dense"] + ) + + model = inject_adapter_in_model(peft_config, model) + + # Unfreeze the prediction head + for (param_name, param) in model.classifier.named_parameters(): + param.requires_grad = True + + return model, tokenizer + + +def split_batch(batch, sub_batch_size): + """Splits a batch dictionary into smaller sub-batches.""" + batch_size = batch["input_ids"].size(0) + for i in range(0, batch_size, sub_batch_size): + yield {key: tensor[i:i + sub_batch_size] for key, tensor in batch.items()} + +def process_batch_in_chunks(model, batch, sub_batch_size): + outputs = [] + for sub_batch in tqdm(split_batch(batch, sub_batch_size)): + with torch.no_grad(): # To save memory + output = model(**sub_batch) + outputs.append(output) + return outputs + +def process_in_batches_and_combine(model, batch, sub_batch_size): + outputs = process_batch_in_chunks(model, batch, sub_batch_size) + # Example: combine logits if that's what you need + logits = torch.cat([out.logits for out in outputs], dim=0) + return logits + +def get_dot_separated_name(key, _dict): + if '_' in _dict[key]: + dot_separated_name = '.'.join(_dict[key].split('_')) + elif '.' in _dict[key]: + dot_separated_name = _dict[key] + else: + raise ValueError("Sequence name must contain either an underscore or a dot to separate the PDB code and the chain code.") + return dot_separated_name \ No newline at end of file