Upload folder using huggingface_hub

.gitattributes

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LICENSE.md

@@ -0,0 +1,39 @@
+# MVGNN-PPIS License Notice
+
+The upstream MVGNN-PPIS repository did not include an explicit software
+license when this model package was prepared:
+
+https://github.com/WW-AILab/MVGNN-PPIS
+
+Accordingly, this package does not grant any additional permission to use,
+copy, modify, publish, distribute, sublicense, or sell the upstream source
+code, model checkpoints, datasets, or generated features. Absence of an
+explicit license must not be interpreted as permission for unrestricted use.
+
+Users are responsible for contacting the upstream authors to confirm the
+permissions required for their intended use, especially redistribution and
+commercial use.
+
+The directory restructuring, runtime configuration, documentation, and DCU
+compatibility changes in this package do not alter the ownership or licensing
+status of upstream materials.
+
+Third-party components and assets, including PyTorch, ProtT5, AlphaFold3,
+DSSP, OneScience, and the referenced datasets, remain subject to their own
+licenses and terms of use.
+
+---
+
+# MVGNN-PPIS 许可证说明
+
+本模型包整理时，MVGNN-PPIS 上游仓库未提供明确的软件许可证：
+
+https://github.com/WW-AILab/MVGNN-PPIS
+
+因此，本模型包不对上游源代码、模型参数、数据集或预计算特征授予额外的使用、复制、修改、发布、分发、再许可或销售权利。未声明许可证不应被理解为允许不受限制地使用。
+
+用户应根据实际用途联系上游作者确认所需授权，特别是再分发和商业使用权限。
+
+本模型包所做的目录整理、运行配置、文档补充和 DCU 兼容性修改，不改变任何上游材料的所有权或许可状态。
+
+PyTorch、ProtT5、AlphaFold3、DSSP、OneScience 以及相关数据集等第三方组件和资产，分别受其各自许可证与使用条款约束。

README.md

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+---
+frameworks:
+- PyTorch
+language:
+- en
+license: unknown
+tags:
+- OneScience
+- bioscience
+- protein-protein-interaction-site-prediction
+- graph-neural-network
+- MVGNN-PPIS
+- ProtT5
+- AlphaFold3
+tasks: []
+datasets: []
+---
+
+<p align="center">
+  <strong>
+    <span style="font-size: 30px;">MVGNN-PPIS</span>
+  </strong>
+</p>
+
+# Model Introduction
+
+MVGNN-PPIS is an open-source protein-protein interaction site prediction model developed by WW-AILab. Given precomputed protein sequence and structural features, the model predicts the probability that each amino acid residue belongs to a protein-protein interaction site.
+
+MVGNN-PPIS uses a multi-view graph neural network to jointly model local sequence adjacency relationships and three-dimensional spatial neighborhood relationships.
+
+Paper: [MVGNN-PPIS: A novel multi-view graph neural network for protein-protein interaction sites prediction based on Alphafold3-predicted structures and transfer learning](https://doi.org/10.1016/j.ijbiomac.2025.140096)
+
+# Model Description
+
+MVGNN-PPIS integrates ProtT5 residue representations, DSSP secondary-structure features, and AlphaFold3-predicted structures. Graph convolution and graph Transformer modules are then used to extract complementary local and global information.
+
+The model provides the following main capabilities:
+
+- Uses 1038-dimensional residue-level node features composed of ProtT5 and DSSP features;
+- Builds a spatial K-nearest-neighbor graph based on side-chain atom centroid coordinates;
+- Uses sequence adjacency matrices to capture local residue relationships;
+- Performs ensemble prediction using five official checkpoints;
+- Outputs residue-level protein-protein interaction site probabilities;
+- Computes AUC, AUPRC, MCC, Accuracy, Precision, Recall, and F1 on labeled test datasets.
+
+# Use Cases
+
+| Use Case | Description |
+| :---: | :--- |
+| Protein-protein interaction site prediction | Predict residue-level interaction probabilities from precomputed sequence and structural features. |
+| Test60 benchmark evaluation | Reproduce evaluation using the upstream PRO-Test60 dataset, precomputed features, and five-fold model checkpoints. |
+| Protein functional-site screening | Rank candidate residues by predicted interaction probability for downstream experimental analysis. |
+| DCU inference validation | Validate five-fold model loading and full-dataset inference in a DTK/HIP-enabled PyTorch environment. |
+
+# Usage
+
+## 1. OneCode
+
+You can use the OneCode online environment for an intelligent one-click AI4S programming experience:
+
+[Try OneCode for AI4S Programming](https://web-2069360198568017922-iaaj.ksai.scnet.cn:58043/home)
+
+## 2. Manual Installation
+
+**Hardware Requirements**
+
+- PyTorch must be installed;
+- GPU/DCU memory usage and runtime depend on protein length, batch size, and the number of parallel worker processes.
+
+### Download the Model Package
+
+Install the Hugging Face command-line tool and download the model repository:
+
+```bash
+pip install -U huggingface_hub
+
+hf download OneScience-Group/MVGNN-PPIS --local-dir ./MVGNN-PPIS
+cd MVGNN-PPIS
+```
+
+### Install the Runtime Environment
+
+**DCU Environment**
+
+```bash
+# Activate DTK and Conda first
+conda create -n onescience311 python=3.11 -y
+conda activate onescience311
+
+pip install onescience[bio-dcu] \
+  -i http://mirrors.onescience.ai:3141/pypi/simple/ \
+  --trusted-host mirrors.onescience.ai
+```
+
+Install the additional dependencies declared in `requirements.txt`:
+
+```bash
+conda activate onescience311
+python -m pip install -r requirements.txt
+```
+
+### Weights and Data Preparation
+
+Basic inference requires five official checkpoints, the test-set CSV file, and the corresponding precomputed features:
+
+| Asset | Location | Purpose |
+| --- | --- | --- |
+| MVGNN checkpoint | `weight/fold0.ckpt` | Five-fold ensemble member 0 |
+| MVGNN checkpoint | `weight/fold1.ckpt` | Five-fold ensemble member 1 |
+| MVGNN checkpoint | `weight/fold2.ckpt` | Five-fold ensemble member 2 |
+| MVGNN checkpoint | `weight/fold3.ckpt` | Five-fold ensemble member 3 |
+| MVGNN checkpoint | `weight/fold4.ckpt` | Five-fold ensemble member 4 |
+| Test60 dataset | `weight/datasets/PRO_Test60.csv` | Protein IDs, sequences, and labels |
+| Precomputed features | `weight/feature/` | Model inference inputs |
+
+Each protein ID must have the following five tensor files:
+
+```text
+weight/feature/<ID>_X.tensor
+weight/feature/<ID>_adj.tensor
+weight/feature/<ID>_node_feature.tensor
+weight/feature/<ID>_mask.tensor
+weight/feature/<ID>_label.tensor
+```
+
+By default, `scripts/inference.py` loads these assets according to `conf/config.json` and validates all checkpoint and feature files before inference.
+
+If required files are missing, the script reports the number of missing files and their expected locations.
+
+Basic inference directly uses the precomputed features released by the original authors. ProtT5, AlphaFold3, and DSSP do not need to be downloaded or executed at runtime for this workflow.
+
+### Quick Inference
+
+Run the following command from the root directory of the Hugging Face model package:
+
+```bash
+HIP_VISIBLE_DEVICES=0 python scripts/inference.py
+```
+
+The default configuration uses:
+
+```text
+weight/datasets/PRO_Test60.csv
+weight/feature/
+weight/
+```
+
+and writes the results to:
+
+```text
+output/prediction/result.csv
+output/prediction/test.log
+```
+
+To view all command-line options:
+
+```bash
+python scripts/inference.py --help
+```
+
+### Custom Paths and Runtime Parameters
+
+The inference script uses paths relative to the model package and does not depend on the current working directory.
+
+You can modify `conf/config.json` or override the default configuration through command-line arguments:
+
+```bash
+python scripts/inference.py \
+  --dataset weight/datasets/PRO_Test60.csv \
+  --feature-path weight/feature \
+  --weight-path weight \
+  --output-path output/prediction \
+  --device cuda \
+  --num-workers 8
+```
+
+Command-line arguments take precedence over the configuration file.
+
+A custom dataset must still provide the following columns:
+
+```text
+ID
+sequence
+label
+```
+
+For each protein ID, the corresponding five precomputed tensor files must also be provided.
+
+### Prediction Outputs
+
+`result.csv` stores:
+
+- Protein IDs;
+- Amino acid sequences;
+- Residue-level predicted interaction probabilities.
+
+`test.log` stores:
+
+- Model configuration;
+- Evaluation metrics for labeled datasets.
+
+### Feature Generation
+
+The `scripts/process_feature/` directory retains the upstream feature-generation code involving ProtT5, AlphaFold3-predicted structures, and DSSP.
+
+This workflow requires additional resources, including:
+
+- ProtT5 model files;
+- Complete protein structure files;
+- DSSP and other required external tools.
+
+Feature generation is not part of the basic inference workflow.
+
+For benchmark reproduction and standard inference, it is recommended to use the precomputed features released by the original authors.
+
+Only when processing new proteins or regenerating features is it necessary to prepare ProtT5, AlphaFold3, DSSP, and the associated resources according to the upstream repository documentation.
+
+### Training
+
+The upstream MVGNN-PPIS repository does not provide a directly executable complete training entry point or the complete training dataset.
+
+It primarily provides official pretrained checkpoints and prediction-related code.
+
+Therefore, this Hugging Face model package does not provide training commands.
+
+# OneScience Official Resources
+
+| Platform | OneScience Main Repository | Skills Repository |
+| --- | --- | --- |
+| Gitee | https://gitee.com/onescience-ai/onescience | https://gitee.com/onescience-ai/oneskills |
+| GitHub | https://github.com/onescience-ai/OneScience | https://github.com/onescience-ai/oneskills |
+
+# Citation and License
+
+- Paper: [MVGNN-PPIS: A novel multi-view graph neural network for protein-protein interaction sites prediction based on Alphafold3-predicted structures and transfer learning](https://doi.org/10.1016/j.ijbiomac.2025.140096)
+
+- Official implementation: https://github.com/WW-AILab/MVGNN-PPIS
+
+- At the time this Hugging Face model package was prepared, the upstream repository did not provide an explicit `LICENSE` file. Users should confirm the permitted scope of use, modification, and redistribution with the original authors before using or redistributing the source code, pretrained weights, or datasets.
+
+- ProtT5, AlphaFold3, DSSP, datasets, pretrained assets, and other third-party resources are subject to their respective original copyright notices, licenses, and terms of use.
+
+- The top-level [`LICENSE.md`](LICENSE.md) file in this model package records the currently known licensing status and third-party asset notices. It does not grant any additional rights to upstream materials.

conf/config.json

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+{
+  "paths": {
+    "dataset": "weight/datasets/PRO_Test60.csv",
+    "feature_dir": "weight/feature",
+    "weight_dir": "weight",
+    "output_dir": "output/prediction"
+  },
+  "runtime": {
+    "device": "auto",
+    "num_workers": 8,
+    "seed": 2024
+  },
+  "model": {
+    "node_features": 1038,
+    "edge_features": 16,
+    "hidden_dim": 128,
+    "num_encoder_layers": 4,
+    "k_neighbors": 30,
+    "augment_eps": 0.1,
+    "dropout": 0.3,
+    "batch_size": 4,
+    "folds": 5,
+    "obj_max": 1,
+    "epochs": 30,
+    "patience": 8,
+    "num_samples": 1675
+  }
+}

configuration.json

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+{
+  "model_name": "MVGNN-PPIS",
+  "framework": "PyTorch",
+  "task": "protein-protein-interaction-site-prediction",
+  "entry_points": {
+    "inference": "scripts/inference.py",
+    "predict": "scripts/inference.py"
+  },
+  "source_package": "model",
+  "config": "conf/config.json",
+  "weight_dir": "weight",
+  "license": "See LICENSE.md; upstream repository license not declared"
+}

model/__init__.py

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+"""MVGNN-PPIS inference package."""
+
+from .inference import Seed_everything, model_test
+from .mvg_nn import MVGNN
+
+__all__ = ["MVGNN", "Seed_everything", "model_test"]

model/edge_features.py

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+import numpy as np
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+
+from .self_attention import Normalize, gather_edges, gather_nodes
+
+
+class PositionalEncodings(nn.Module):
+    def __init__(self, num_embeddings):
+        super(PositionalEncodings, self).__init__()
+        self.num_embeddings = num_embeddings
+
+    def forward(self, E_idx):
+        # i-j
+        N_batch = E_idx.size(0)
+        N_nodes = E_idx.size(1)
+        N_neighbors = E_idx.size(2)
+        device = E_idx.device
+        ii = torch.arange(N_nodes, dtype=torch.float32, device=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)
+            * -(np.log(10000.0) / self.num_embeddings)).to(device)
+
+        angles = d * frequency.view((1,1,1,-1))
+        E = torch.cat((torch.cos(angles), torch.sin(angles)), -1)
+        return E # [N_batch, N_nodes, N_neighbors, num_embeddings]
+
+
+class EdgeFeatures(nn.Module):
+    def __init__(self, edge_features, num_positional_embeddings=16,
+        num_rbf=16, top_k=30, augment_eps=0.):
+        super(EdgeFeatures, self).__init__()
+        self.top_k = top_k
+        self.augment_eps = augment_eps 
+        self.num_rbf = num_rbf
+
+        # Positional encoding
+        self.PE = PositionalEncodings(num_positional_embeddings)
+        
+        # Embedding and normalization
+        self.edge_embedding = nn.Linear(num_positional_embeddings + num_rbf + 7, edge_features, bias=True)
+        self.norm_edges = Normalize(edge_features)
+
+    def _dist(self, X, mask, eps=1E-6):
+        """ Pairwise euclidean distances """
+        mask_2D = torch.unsqueeze(mask,1) * torch.unsqueeze(mask,2) # mask [N, L] => mask_2D [N, L, L]
+        dX = torch.unsqueeze(X,1) - torch.unsqueeze(X,2) # X 坐标矩阵 [N, L, 3]   dX 坐标差矩阵 [N, L, L, 3]
+        D = mask_2D * torch.sqrt(torch.sum(dX**2, 3) + eps) # 距离矩阵 [N, L, L]
+
+        # Identify k nearest neighbors (including self)
+        D_max, _ = torch.max(D, -1, keepdim=True)
+        D_adjust = D + (1. - mask_2D) * D_max
+        D_neighbors, E_idx = torch.topk(D_adjust, self.top_k, dim=-1, largest=False) # [N, L, k]  D_neighbors为具体距离值（从小到大），E_idx为对应邻居节点的编号
+
+        return D_neighbors, E_idx
+
+    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)
+        RBF = torch.exp(-((D_expand - D_mu) / D_sigma)**2)
+
+        return RBF # [B, L, K, self.num_rbf]
+
+    def _quaternions(self, R):
+        """ Convert a batch of 3D rotations [R] to quaternions [Q]
+            R [...,3,3]
+            Q [...,4]
+        """
+        # Simple Wikipedia version
+        # en.wikipedia.org/wiki/Rotation_matrix#Quaternion
+        # For other options see math.stackexchange.com/questions/2074316/calculating-rotation-axis-from-rotation-matrix
+        diag = torch.diagonal(R, dim1=-2, dim2=-1)
+        Rxx, Ryy, Rzz = diag.unbind(-1)
+        magnitudes = 0.5 * torch.sqrt(torch.abs(1 + torch.stack([
+              Rxx - Ryy - Rzz, 
+            - Rxx + Ryy - Rzz, 
+            - Rxx - Ryy + Rzz
+        ], -1)))
+        _R = lambda i,j: R[:,:,:,i,j]
+        signs = torch.sign(torch.stack([
+            _R(2,1) - _R(1,2),
+            _R(0,2) - _R(2,0),
+            _R(1,0) - _R(0,1)
+        ], -1))
+        xyz = signs * magnitudes
+        # The relu enforces a non-negative trace
+        w = torch.sqrt(F.relu(1 + diag.sum(-1, keepdim=True))) / 2.
+        Q = torch.cat((xyz, w), -1)
+        Q = F.normalize(Q, dim=-1)
+
+        return Q
+
+    def _orientations(self, X, E_idx, eps=1e-6):
+        # Shifted slices of unit vectors
+        dX = X[:,1:,:] - X[:,:-1,:]
+        U = F.normalize(dX, dim=-1) # 少了第一个（u0）
+        u_2 = U[:,:-2,:] # u 1~n-2
+        u_1 = U[:,1:-1,:] # u 2~n-1
+        # Backbone normals
+        n_2 = F.normalize(torch.cross(u_2, u_1), dim=-1) # n 1~n-2
+
+        # Build relative orientations
+        o_1 = F.normalize(u_2 - u_1, dim=-1) # b 角平分线向量
+        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) # [B, L, 9]
+
+
+        O_neighbors = gather_nodes(O, E_idx) # [B, L, K, 9]
+        X_neighbors = gather_nodes(X, E_idx) # [B, L, K, 3]
+        
+        # Re-view as rotation matrices
+        O = O.view(list(O.shape[:2]) + [3,3]) # [B, L, 3, 3]
+        O_neighbors = O_neighbors.view(list(O_neighbors.shape[:3]) + [3,3]) # [B, L, K, 3, 3]
+
+        # Rotate into local reference frames
+        dX = X_neighbors - X.unsqueeze(-2) # [B, L, K, 3]
+        dU = torch.matmul(O.unsqueeze(2), dX.unsqueeze(-1)).squeeze(-1) # [B, L, K, 3]
+        dU = F.normalize(dU, dim=-1)
+        R = torch.matmul(O.unsqueeze(2).transpose(-1,-2), O_neighbors) # [B, L, K, 3, 3]
+        Q = self._quaternions(R) # [B, L, K, 4]
+
+        # Orientation features
+        O_features = torch.cat((dU,Q), dim=-1) # [B, L, K, 7]
+
+        return O_features
+
+
+    def forward(self, X, mask): # X:[B, L, 3]  mask:[B, L]
+        # Data augmentation
+        if self.training and self.augment_eps > 0:
+            X = X + self.augment_eps * torch.randn_like(X)
+
+        # Build k-Nearest Neighbors graph
+        D_neighbors, E_idx = self._dist(X, mask)
+
+        # Pairwise features
+        RBF = self._rbf(D_neighbors)
+        O_features = self._orientations(X, E_idx)
+
+        # Pairwise embeddings
+        E_positional = self.PE(E_idx)
+
+        E = torch.cat((E_positional, RBF, O_features), -1)
+        E = self.edge_embedding(E)
+        E = self.norm_edges(E)
+
+        return E, E_idx # E [B, L, K, d]; E_idx [B, L, K]

model/focal_loss.py

@@ -0,0 +1,18 @@
+import torch
+import torch.nn as nn
+
+
+class FocalLoss(nn.Module):
+    def __init__(self, alpha=0.25, gamma=2.0):
+        super(FocalLoss, self).__init__()
+        self.alpha = alpha
+        self.gamma = gamma
+
+    def forward(self, logits, targets):
+        probs = torch.sigmoid(logits)
+        bce_loss = nn.functional.binary_cross_entropy_with_logits(logits, targets, reduction='none')
+        p_t = (targets * probs) + ((1 - targets) * (1 - probs))
+        modulating_factor = (1.0 - p_t) ** self.gamma
+        alpha_weight = (targets * self.alpha) + ((1 - targets) * (1 - self.alpha))
+        focal_loss = alpha_weight * modulating_factor * bce_loss
+        return focal_loss.mean()

model/inference.py

@@ -0,0 +1,201 @@
+# -*- coding: utf-8 -*-
+import pandas as pd
+import numpy as np
+import os
+import random
+from tqdm import tqdm
+from sklearn.metrics import auc, roc_auc_score, precision_recall_curve
+from sklearn import metrics
+from torch.utils.data import DataLoader
+import torch
+
+
+
+def Seed_everything(seed=2024):
+    random.seed(seed)
+    os.environ['PYTHONHASHSEED'] = str(seed)
+    np.random.seed(seed)
+    torch.manual_seed(seed)
+    if torch.cuda.is_available():
+        torch.cuda.manual_seed_all(seed)
+    if hasattr(torch.backends, 'cudnn'):
+        torch.backends.cudnn.deterministic = True
+
+
+def Metric(preds, labels,best_threshold = None):
+    labels = np.array(labels).reshape(-1)
+    preds = np.array(preds).reshape(-1)
+    if best_threshold == None:
+        best_f1 = 0
+        best_threshold = 0
+        for threshold in range(0, 100):
+            threshold = threshold / 100
+            binary_pred = [1 if pred >= threshold else 0 for pred in preds]
+            binary_true = labels
+            f1 = metrics.f1_score(binary_true, binary_pred)
+            if f1 > best_f1:
+                best_f1 = f1
+                best_threshold = threshold
+    binary_pred = [1 if pred >= best_threshold else 0 for pred in preds]
+    binary_true = labels
+    binary_acc = metrics.accuracy_score(binary_true, binary_pred)
+    precision = metrics.precision_score(binary_true, binary_pred)
+    recall = metrics.recall_score(binary_true, binary_pred)
+    f1 = metrics.f1_score(binary_true, binary_pred)
+    mcc = metrics.matthews_corrcoef(binary_true, binary_pred)
+    AUC = roc_auc_score(labels, preds)
+    precisions, recalls, _ = precision_recall_curve(labels, preds)  #######
+    AUPRC = auc(recalls, precisions)
+    return AUC, AUPRC, mcc ,binary_acc,precision,recall,f1
+
+
+def Write_log(logFile, text, isPrint=True):
+    if isPrint:
+        print(text)
+    logFile.write(text)
+    logFile.write('\n')
+    return None
+
+
+class TaskDataset:
+    def __init__(self, df, protein_data, label_name):
+        self.df = df
+        self.protein_data = protein_data
+        self.label_name = label_name
+
+    def __len__(self):
+        return (self.df.shape[0])
+
+    def __getitem__(self, idx):
+        pdb_id = self.df.loc[idx, 'ID']
+
+        protein_X, protein_node_features, protein_masks, labels, adj = self.protein_data[pdb_id]
+
+        return {
+            'PDB_ID': pdb_id,
+            'PROTEIN_X': protein_X,
+            'PROTEIN_NODE_FEAT': protein_node_features,
+            'PROTEIN_MASK': protein_masks,
+            'LABEL': labels,
+            'ADJ': adj,
+        }
+
+    def collate_fn(self, batch):
+        pdb_ids = [item['PDB_ID'] for item in batch]
+        protein_X = torch.stack([item['PROTEIN_X'] for item in batch], dim=0)
+        protein_node_features = torch.stack([item['PROTEIN_NODE_FEAT'] for item in batch], dim=0)
+        protein_masks = torch.stack([item['PROTEIN_MASK'] for item in batch], dim=0)
+        labels = torch.stack([item['LABEL'] for item in batch], dim=0)
+        adj = torch.stack([item['ADJ'] for item in batch], dim=0)
+
+        return pdb_ids, protein_X, protein_node_features, protein_masks, labels, adj
+
+
+# main function
+def model_test(test, protein_data, model_class, config, weight_dir, output_dir,
+               logit=False, device=None, num_workers=0):
+    label_name = ['label']  # some task may have mutiple labels
+    sequence_name = "sequence"
+    device = torch.device(device or ('cuda' if torch.cuda.is_available() else 'cpu'))
+    print("Device:", device)
+
+    output_result = os.fspath(output_dir)
+    output_weight = os.fspath(weight_dir)
+    os.makedirs(output_result, exist_ok=True)
+
+
+    node_features = config['node_features']
+    edge_features = config['edge_features']
+    hidden_dim = config['hidden_dim']
+    num_encoder_layers = config['num_encoder_layers']
+    k_neighbors = config['k_neighbors']
+    augment_eps = config['augment_eps']
+    dropout = config['dropout']
+    id_name = config['id_name']
+    batch_size = config['batch_size']
+    folds = config['folds']
+
+
+    if test is not None:
+
+        log = open(os.path.join(output_result, 'test.log'), 'w', buffering=1)
+        Write_log(log, str(config) + '\n')
+        sub = test[[id_name, sequence_name]].copy()
+
+        if isinstance(label_name, list):
+            for l in label_name:
+                sub[l] = 0.0
+                sub[l] = sub[l].astype(np.float32)
+        else:
+            sub[label_name] = 0.0
+
+        test_dataset = TaskDataset(test, protein_data, label_name)
+        loader_kwargs = dict(
+            dataset=test_dataset,
+            batch_size=batch_size,
+            collate_fn=test_dataset.collate_fn,
+            shuffle=False,
+            drop_last=False,
+            num_workers=num_workers,
+        )
+        if num_workers > 0:
+            loader_kwargs['prefetch_factor'] = 2
+        test_dataloader = DataLoader(**loader_kwargs)
+        models = []
+        for fold in range(folds):
+            checkpoint = os.path.join(output_weight, 'fold%s.ckpt' % fold)
+            if not os.path.exists(checkpoint):
+                print("Missing checkpoint:", checkpoint)
+                continue
+
+            model = model_class(node_features, edge_features, hidden_dim, num_encoder_layers, k_neighbors, augment_eps, dropout)
+            model.to(device)
+            state_dict = torch.load(checkpoint, map_location=device, weights_only=True)
+            model.load_state_dict(state_dict)
+
+            model.eval()
+            models.append(model)
+        print('model count:', len(models))
+        if not models:
+            raise FileNotFoundError(f'No fold*.ckpt files were loaded from {output_weight}')
+
+        test_preds = []
+        test_outputs = []
+        test_Y = []
+        all_protein_node_features = []
+        all_labels = []
+        with torch.no_grad():
+            for data in tqdm(test_dataloader):
+                protein_X, protein_node_features, protein_masks, y, adj = [d.to(device) for d in data[1:]]
+                all_protein_node_features.append(protein_node_features.detach().cpu().numpy())
+                all_labels.append(y.detach().cpu().numpy())
+                if logit:
+                    outputs = [model(protein_X, protein_node_features, protein_masks, adj).sigmoid() for model in models]
+                else:
+                    outputs = [model(protein_X, protein_node_features, protein_masks) for model in models]
+
+                outputs = torch.stack(outputs, 0).mean(0)  # 5个模型预测结果求平均,最终shape=(bsize, max_len)
+                test_outputs.append(outputs.detach().cpu().numpy())
+
+                test_seq_y = torch.masked_select(y, protein_masks.bool())
+                test_seq_preds = torch.masked_select(outputs, protein_masks.bool())
+
+                test_preds.append(test_seq_preds.cpu().detach().numpy())
+                test_Y.append(test_seq_y.cpu().detach().numpy())
+
+
+        test_preds = np.concatenate(test_preds)
+        test_Y = np.concatenate(test_Y)
+        test_metric = Metric(test_preds, test_Y)
+        Write_log(log,'test_auc:%.6f, test_auprc:%.6f, testFYT_mccL:%.6f, test_acc:%.6f, test_pre:%.6f, test_rec:%.6f, test_f1:%.6f' \
+                      % (test_metric[0], test_metric[1], test_metric[2], test_metric[3],
+                         test_metric[4], test_metric[5], test_metric[6]))
+
+        test_outputs = np.concatenate(test_outputs)  # shape = (num_samples, max_len) or (num_samples,  4 * max_len)
+
+
+        sub['label'] = sub['label'].astype(object)
+        for i in range(len(sub)):
+            sub.at[i, 'label'] = test_outputs[i, :len(sub.loc[i, sequence_name])].tolist()
+        sub.to_csv(os.path.join(output_result, 'result.csv'), index=False)
+        log.close()

model/mvg_nn.py

@@ -0,0 +1,65 @@
+import torch
+import torch.nn as nn
+
+from .edge_features import EdgeFeatures
+from .self_attention import TransformerLayer, cat_neighbors_nodes, gather_nodes
+
+class MVGNN(nn.Module):
+    def __init__(self, node_features, edge_features, hidden_dim, num_encoder_layers=4, k_neighbors=30, augment_eps=0., dropout=0.2):
+        super(MVGNN, self).__init__()
+
+        # Hyperparameters
+        self.augment_eps = augment_eps
+
+        # Edge featurization layers augment_eps
+        self.EdgeFeatures = EdgeFeatures(edge_features, top_k=k_neighbors, augment_eps=augment_eps)
+        self.dropout = nn.Dropout(dropout)
+
+        # Embedding layers
+        self.act_fn = nn.ReLU()
+        self.lin1 = nn.Linear(node_features, 512, bias=True)
+        self.lin2 = nn.Linear(512, 256, bias=False)
+        self.W_v = nn.Linear(256, hidden_dim, bias=True)
+        self.W_e = nn.Linear(edge_features, hidden_dim, bias=True)
+        # self.dropout = dropout
+        # Encoder layers
+        self.encoder_layers = nn.ModuleList([
+            TransformerLayer(hidden_dim, hidden_dim * 2, dropout=dropout)
+            for _ in range(num_encoder_layers)
+        ])
+        self.W_out = nn.Linear(hidden_dim * 2, hidden_dim, bias=True)
+        self.W_out1 = nn.Linear(hidden_dim, 64, bias=True)
+        self.W_out2 = nn.Linear(64, 1, bias=True)
+
+        # Initialization
+        for p in self.parameters():
+            if p.dim() > 1:
+                nn.init.xavier_uniform_(p)
+
+
+    def forward(self, X, V, mask,adj):
+        # Prepare node and edge embeddings
+        # X is the alpha-C coordinate matrix; V is the pre-computed and normalized features ProtTrans+DSSP
+        E, E_idx = self.EdgeFeatures(X, mask) # X [B, L, 3] mask [B, L] => E [B, L, K, d_edge]; E_idx [B, L, K]
+
+        # Data augmentation
+        if self.training and self.augment_eps > 0:
+            V = V + 0.1 * self.augment_eps * torch.randn_like(V)
+
+        V = self.act_fn(self.lin1(V))
+        V = self.act_fn(self.lin2(V))
+
+
+        h_V = self.W_v(V)
+        ho = h_V
+        h_E = self.W_e(E)
+
+        mask_attend = gather_nodes(mask.unsqueeze(-1),  E_idx).squeeze(-1)
+        mask_attend = mask.unsqueeze(-1) * mask_attend # mask_attend [B, L, K]
+        for i,layer in enumerate(self.encoder_layers):
+            h_EV = cat_neighbors_nodes(h_V, h_E, E_idx)
+            h_V = layer(h_V, h_EV,adj,ho,i+1, mask_V=mask, mask_attend=mask_attend)
+        logits = self.act_fn(self.W_out1(h_V))
+        logits = self.W_out2(logits).squeeze(-1)
+        # [B, L]
+        return logits

model/noam_opt.py

@@ -0,0 +1,42 @@
+import torch
+
+class NoamOpt:
+    "Optim wrapper that implements rate."
+    def __init__(self, model_size, factor, warmup, optimizer):
+        self.optimizer = optimizer
+        self._step = 0
+        self.warmup = warmup
+        self.factor = factor
+        self.model_size = model_size
+        self._rate = 0
+        
+    def step(self):
+        "Update parameters and rate"
+        self._step += 1
+        rate = self.rate()
+        for p in self.optimizer.param_groups:
+            p['lr'] = rate
+        self._rate = rate
+        self.optimizer.step()
+        
+    def rate(self, step = None):
+        "Implement `lrate` above"
+        if step is None:
+            step = self._step
+        return self.factor * (self.model_size ** (-0.5) * min(step ** (-0.5), step * self.warmup ** (-1.5)))
+
+    def zero_grad(self):
+        self.optimizer.zero_grad()
+        
+def get_std_opt(task, parameters, d_model):
+    train_size = {"PRO":335, "CA":1550, "MG":1729, "MN":547, "Metal":5469}
+    batch_size = 32
+    warmup_epoch = (5 if task != "Metal" else 2)
+    step_each_epoch = int(train_size[task] / batch_size)
+    warmup = warmup_epoch * step_each_epoch
+    top_lr = 0.0004
+    factor = top_lr / (d_model ** (-0.5) * min(warmup ** (-0.5), warmup * warmup ** (-1.5)))
+
+    return NoamOpt(
+        d_model, factor, warmup, torch.optim.Adam(parameters, lr=0, betas=(0.9, 0.98), eps=1e-9)
+    )

model/self_attention.py

@@ -0,0 +1,208 @@
+import numpy as np
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+from torch.nn.parameter import Parameter
+import math
+# The following gather functions
+def gather_edges(edges, neighbor_idx):
+    # Features [B,N,N,C] at Neighbor indices [B,N,K] => Neighbor features [B,N,K,C]
+    neighbors = neighbor_idx.unsqueeze(-1).expand(-1, -1, -1, edges.size(-1))
+    edge_features = torch.gather(edges, 2, neighbors)
+    return edge_features
+
+def gather_nodes(nodes, neighbor_idx):
+    # Features [B,N,C] at Neighbor indices [B,N,K] => [B,N,K,C]
+    # Flatten and expand indices per batch [B,N,K] => [B,NK] => [B,NK,C]
+    neighbors_flat = neighbor_idx.view((neighbor_idx.shape[0], -1))
+    neighbors_flat = neighbors_flat.unsqueeze(-1).expand(-1, -1, nodes.size(2))
+    # Gather and re-pack
+    neighbor_features = torch.gather(nodes, 1, neighbors_flat)
+    neighbor_features = neighbor_features.view(list(neighbor_idx.shape)[:3] + [-1])
+    return neighbor_features
+
+def cat_neighbors_nodes(h_nodes, h_neighbors, E_idx):
+    h_nodes = gather_nodes(h_nodes, E_idx)
+    h_nn = torch.cat([h_neighbors, h_nodes], -1)
+    return h_nn
+
+
+class 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 TransformerLayer(nn.Module):
+    def __init__(self, num_hidden, num_in, num_heads=4, dropout=0.2):
+        super(TransformerLayer, self).__init__()
+        self.dropout = nn.Dropout(dropout)
+        self.relu = nn.LeakyReLU()
+        self.attn_norm = nn.LayerNorm(num_hidden, eps=1e-6)
+        self.norm = nn.ModuleList([Normalize(num_hidden) for _ in range(3)])
+        self.ffn_norm = nn.LayerNorm(num_hidden, eps=1e-6)
+
+        self.attention = NeighborAttention(num_hidden, num_in, num_heads)
+        self.dense1 = PositionWiseFeedForward(num_hidden, num_hidden * 4)
+        self.dense2 = PositionWiseFeedForward(num_hidden, num_hidden * 4)
+        self.dense3 = PositionWiseFeedForward(num_hidden, num_hidden * 4)
+        self.weight1 = Parameter(torch.FloatTensor(128 * 2, 128))
+        self.weight2 = Parameter(torch.FloatTensor(128 * 2, 128))
+        self.gcn1 = GCN(128)
+        self.gcn2 = GCN(128)
+        self.reset_parameters()
+
+    def reset_parameters(self):
+        stdv = 1. / math.sqrt(128)
+        self.weight1.data.uniform_(-stdv, stdv)
+        self.weight2.data.uniform_(-stdv, stdv)
+
+    def forward(self, h_V, h_E,adj,h0,l,mask_V=None, mask_attend=None):    # mask_attend [B, L, K]
+        # Concatenate h_V_i to h_E_ij      
+        """ Parallel computation of full transformer layer """
+        # Self-attention
+        # h_V = self.attn_norm(h_V)
+        # h_V = self.relu(h_V)
+        first_dimension = h_V.shape[0]
+        theta = min(1, math.log(1.5 / l + 1))
+
+        dh = self.attention(h_V, h_E, mask_attend)
+        h_V = self.norm[0](h_V + self.dropout(dh))
+        h_V = self.relu(h_V)
+
+        # # theta = min(1, math.log(1.5 / l + 1))
+        dh = self.gcn1(h_V, adj, mask_V)
+        support = torch.cat([dh, h0], -1)
+        # support = support.view(-1, 64)
+        r = (1 - 0.7) * dh + 0.7 * h0
+        weight_expanded = self.weight1.unsqueeze(0).expand(first_dimension, 256, 128)
+        output = theta * torch.bmm(support, weight_expanded) + (1 - theta) * r
+        h_V = self.norm[1](h_V + self.dropout(self.relu(output)))
+
+
+        dh = self.dense1(h_V)
+        h_V = self.norm[2](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 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)
+
+    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,
+            attend_logits.new_tensor(negative_inf),
+        )
+        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, N_hidden] 
+            mask_attend:    Mask for attention      [N_batch, N_nodes, K]           mask_attend [B, L, 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
+        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)
+        
+        if mask_attend is not None:
+            # Masked softmax
+            mask = mask_attend.unsqueeze(2).expand(-1,-1,n_heads,-1)
+            attend = self._masked_softmax(attend_logits, mask) # [B, L, heads, K]
+        else:
+            attend = F.softmax(attend_logits, -1)
+
+        # Attentive reduction
+        h_V_update = torch.matmul(attend.unsqueeze(-2), V.transpose(2,3)) # [B, L, heads, 1, K] × [B, L, heads, K, d]
+        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
+class GCN(nn.Module):
+    def __init__(self, hidden_size):
+        super(GCN, self).__init__()
+        self.hidden_size = hidden_size
+        self.weight = Parameter(torch.FloatTensor(hidden_size, hidden_size))
+        self.reset_parameters()
+
+    def reset_parameters(self):
+        stdv = 1. / math.sqrt(self.hidden_size)
+        self.weight.data.uniform_(-stdv, stdv)
+
+    def forward(self, x, adj, mask):
+        # mask shape: (B, N), where 1 indicates valid nodes and 0 indicates padded nodes
+        B, N, D = x.size()
+
+        # Expand weight for batch multiplication
+        expanded_weight = self.weight.unsqueeze(0).expand(B, -1, -1)
+
+        # Apply mask to x and adj
+        x = x * mask.unsqueeze(-1)
+        adj = adj * mask.unsqueeze(-1) * mask.unsqueeze(1)
+
+        # Perform graph convolution
+        y = torch.bmm(adj, x)
+        y = torch.bmm(y, expanded_weight)
+
+        # Apply mask to output
+        y = y * mask.unsqueeze(-1)
+
+        return y

requirements.txt

@@ -0,0 +1,16 @@
+# MVGNN-PPIS dependency manifest for the OneScience bio-dcu environment.
+# There are no additional packages required for inference.
+
+# Core inference dependencies supplied by OneScience
+# torch==2.5.1
+# numpy==1.26.3
+# pandas>=2.2.2
+# scikit-learn>=1.2.2,<=1.6.0
+# tqdm>=4.60.0
+
+# Optional feature-generation dependencies supplied by OneScience
+# biopython==1.84
+# joblib==1.4.2
+# sentencepiece==0.2.1
+# transformers==4.56.2
+# protobuf

scripts/__init__.py

@@ -0,0 +1 @@
+"""Command-line entry points for MVGNN-PPIS."""

scripts/inference.py

@@ -0,0 +1,159 @@
+#!/usr/bin/env python3
+"""Run MVGNN-PPIS five-fold ensemble inference."""
+
+from __future__ import annotations
+
+import argparse
+import json
+import sys
+from pathlib import Path
+
+import pandas as pd
+import torch
+
+
+PROJECT_ROOT = Path(__file__).resolve().parents[1]
+if str(PROJECT_ROOT) not in sys.path:
+    sys.path.insert(0, str(PROJECT_ROOT))
+
+from model import MVGNN, Seed_everything, model_test  # noqa: E402
+
+
+def project_path(value: str | Path) -> Path:
+    """Resolve package-relative paths while preserving explicit absolute paths."""
+    path = Path(value).expanduser()
+    return path if path.is_absolute() else PROJECT_ROOT / path
+
+
+def load_config(path: Path) -> dict:
+    with path.open("r", encoding="utf-8") as handle:
+        return json.load(handle)
+
+
+def parse_args() -> argparse.Namespace:
+    parser = argparse.ArgumentParser(
+        description="Predict protein-protein interaction sites with MVGNN-PPIS."
+    )
+    parser.add_argument(
+        "--config",
+        default="conf/config.json",
+        help="Package-relative JSON configuration file.",
+    )
+    parser.add_argument("--dataset", help="Override the evaluation CSV path.")
+    parser.add_argument("--feature-path", help="Override the precomputed feature directory.")
+    parser.add_argument("--weight-path", help="Override the checkpoint directory.")
+    parser.add_argument("--output-path", help="Override the prediction output directory.")
+    parser.add_argument("--num-workers", type=int, help="DataLoader worker count.")
+    parser.add_argument("--seed", type=int, help="Random seed.")
+    parser.add_argument(
+        "--device",
+        help="PyTorch device, for example 'cuda', 'cuda:0', or 'cpu'.",
+    )
+    return parser.parse_args()
+
+
+def required_feature_files(feature_dir: Path, protein_ids: list[str]) -> list[Path]:
+    suffixes = ("X", "node_feature", "mask", "label", "adj")
+    return [
+        feature_dir / f"{protein_id}_{suffix}.tensor"
+        for protein_id in protein_ids
+        for suffix in suffixes
+    ]
+
+
+def main() -> None:
+    args = parse_args()
+    config = load_config(project_path(args.config))
+
+    paths = config["paths"]
+    dataset_path = project_path(args.dataset or paths["dataset"])
+    feature_dir = project_path(args.feature_path or paths["feature_dir"])
+    weight_dir = project_path(args.weight_path or paths["weight_dir"])
+    output_dir = project_path(args.output_path or paths["output_dir"])
+
+    runtime = config["runtime"]
+    seed = args.seed if args.seed is not None else runtime["seed"]
+    num_workers = (
+        args.num_workers if args.num_workers is not None else runtime["num_workers"]
+    )
+    requested_device = args.device or runtime.get("device", "auto")
+    if requested_device == "auto":
+        requested_device = "cuda" if torch.cuda.is_available() else "cpu"
+    device = torch.device(requested_device)
+    if device.type == "cuda" and not torch.cuda.is_available():
+        raise RuntimeError("A CUDA/HIP device was requested but torch.cuda.is_available() is False.")
+
+    test_df = pd.read_csv(
+        dataset_path,
+        dtype={"ID": str, "sequence": str, "label": str},
+        keep_default_na=False,
+    )
+    required_columns = {"ID", "sequence", "label"}
+    missing_columns = required_columns.difference(test_df.columns)
+    if missing_columns:
+        raise ValueError(
+            f"Dataset {dataset_path} is missing columns: {sorted(missing_columns)}"
+        )
+
+    test_df["ID"] = test_df["ID"].str.strip()
+    protein_ids = test_df["ID"].str.strip().drop_duplicates().tolist()
+    missing_features = [
+        path for path in required_feature_files(feature_dir, protein_ids) if not path.is_file()
+    ]
+    if missing_features:
+        preview = "\n".join(f"  - {path}" for path in missing_features[:10])
+        raise FileNotFoundError(
+            f"Missing {len(missing_features)} precomputed feature files.\n{preview}"
+        )
+
+    folds = config["model"]["folds"]
+    missing_weights = [
+        weight_dir / f"fold{fold}.ckpt"
+        for fold in range(folds)
+        if not (weight_dir / f"fold{fold}.ckpt").is_file()
+    ]
+    if missing_weights:
+        formatted = "\n".join(f"  - {path}" for path in missing_weights)
+        raise FileNotFoundError(f"Missing model checkpoints:\n{formatted}")
+
+    all_protein_data = {}
+    for protein_id in protein_ids:
+        all_protein_data[protein_id] = tuple(
+            torch.load(
+                feature_dir / f"{protein_id}_{suffix}.tensor",
+                map_location="cpu",
+                weights_only=True,
+            )
+            for suffix in ("X", "node_feature", "mask", "label", "adj")
+        )
+
+    Seed_everything(seed)
+    model_config = dict(config["model"])
+    model_config.update(
+        {
+            "seed": seed,
+            "id_name": "ID",
+            "remark": "PRO binding site prediction",
+        }
+    )
+    print(f"Project root: {PROJECT_ROOT}")
+    print(f"Dataset: {dataset_path}")
+    print(f"Proteins: {len(test_df)}")
+    print(f"Device: {device}")
+    print(f"Checkpoints: {folds}")
+
+    model_test(
+        test_df,
+        all_protein_data,
+        MVGNN,
+        model_config,
+        weight_dir=weight_dir,
+        output_dir=output_dir,
+        logit=True,
+        device=device,
+        num_workers=num_workers,
+    )
+
+
+if __name__ == "__main__":
+    main()

scripts/process_feature/get_SC_adj.py

@@ -0,0 +1,66 @@
+import numpy as np
+import torch
+import torch.nn.functional as F
+from pad_feature import parse_fasta_file
+import joblib
+def cal_dist(x,y):
+    return np.sqrt(np.sum((x-y)**2))
+def get_pdb_xyz(pdb_file):
+    current_pos = -1000
+    X = []
+    current_aa = {} # 'N', 'CA', 'C', 'O'
+    for line in pdb_file:
+        if (line[0:4].strip() == "ATOM" and int(line[22:26].strip()) != current_pos) or line[0:4].strip() == "TER":
+            if current_aa != {}:
+                X.append(current_aa["CA"]) # X.append([current_aa["N"], current_aa["CA"], current_aa["C"], current_aa["O"]])
+                current_aa = {}
+            if line[0:4].strip() != "TER":
+                current_pos = int(line[22:26].strip())
+
+        if line[0:4].strip() == "ATOM":
+            atom = line[13:16].strip()
+            if atom in ['N', 'CA', 'C', 'O']:
+                xyz = np.array([line[30:38].strip(), line[38:46].strip(), line[46:54].strip()]).astype(np.float32)
+                current_aa[atom] = xyz
+    return np.array(X)
+
+def prepare_adj(pdb_id,max_len):
+    with open('./SC_position/' + pdb_id + '_psepos_SC.pkl', 'rb') as file:
+        X = joblib.load(file)
+    # with open(Dataset_Path + "alphapdb/" + pdb_id + ".pdb", "r") as f:
+    #     X = get_pdb_xyz(f.readlines()) # [L, 3]
+        dis_matrix = []
+        for radius in X:
+            dis_radius = []
+            for i in range(len(X)):
+                dis_radius.append(cal_dist(radius, X[i]))
+            dis_matrix.append(dis_radius)
+        dis_matrix = np.row_stack(dis_matrix)
+        adjency_matrix = cal_adj_matrix(dis_matrix,14)
+        adj = normalize(adjency_matrix)
+        pad_adj = pad_adjacency_matrix(adj,max_len)
+        torch.save(pad_adj, '../feature/' + f'{pdb_id}_adj.tensor')
+
+    return
+
+def cal_adj_matrix(dis_matrix,radius):
+    dist_matrix = dis_matrix
+    mask = ((dist_matrix >= 0)*(dist_matrix <= radius))
+    adjency_matrix = mask.astype(np.int32)
+    return adjency_matrix
+
+def normalize(mx):
+    rowsum = np.array(mx.sum(1))
+    r_inv = (rowsum ** -0.5).flatten()
+    r_inv[np.isinf(r_inv)] = 0
+    r_mat_inv = np.diag(r_inv)
+    result = r_mat_inv @ mx @ r_mat_inv
+    return result
+
+
+def pad_adjacency_matrix(adj, target_size):
+    adj = torch.from_numpy(adj).float()
+    padding_size = target_size - adj.size(0)
+    padded_adj = F.pad(adj, (0, padding_size, 0, padding_size), "constant", 0)
+
+    return padded_adj

scripts/process_feature/get_SC_position.py

@@ -0,0 +1,153 @@
+import numpy as np
+import torch
+import torch.nn.functional as F
+import joblib
+import pandas as pd
+import os
+import subprocess
+from pad_feature import parse_fasta_file
+
+def def_atom_features():
+    A = {'N':[0,1,0], 'CA':[0,1,0], 'C':[0,0,0], 'O':[0,0,0], 'CB':[0,3,0]}
+    V = {'N':[0,1,0], 'CA':[0,1,0], 'C':[0,0,0], 'O':[0,0,0], 'CB':[0,1,0], 'CG1':[0,3,0], 'CG2':[0,3,0]}
+    F = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0],'CB':[0,2,0],
+         'CG':[0,0,1], 'CD1':[0,1,1], 'CD2':[0,1,1], 'CE1':[0,1,1], 'CE2':[0,1,1], 'CZ':[0,1,1] }
+    P = {'N': [0, 0, 1], 'CA': [0, 1, 1], 'C': [0, 0, 0], 'O': [0, 0, 0],'CB':[0,2,1], 'CG':[0,2,1], 'CD':[0,2,1]}
+    L = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'CG':[0,1,0], 'CD1':[0,3,0], 'CD2':[0,3,0]}
+    I = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,1,0], 'CG1':[0,2,0], 'CG2':[0,3,0], 'CD1':[0,3,0]}
+    R = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0],
+         'CG':[0,2,0], 'CD':[0,2,0], 'NE':[0,1,0], 'CZ':[1,0,0], 'NH1':[0,2,0], 'NH2':[0,2,0] }
+    D = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'CG':[-1,0,0], 'OD1':[-1,0,0], 'OD2':[-1,0,0]}
+    E = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'CG':[0,2,0], 'CD':[-1,0,0], 'OE1':[-1,0,0], 'OE2':[-1,0,0]}
+    S = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'OG':[0,1,0]}
+    T = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,1,0], 'OG1':[0,1,0], 'CG2':[0,3,0]}
+    C = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'SG':[-1,1,0]}
+    N = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'CG':[0,0,0], 'OD1':[0,0,0], 'ND2':[0,2,0]}
+    Q = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'CG':[0,2,0], 'CD':[0,0,0], 'OE1':[0,0,0], 'NE2':[0,2,0]}
+    H = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0],
+         'CG':[0,0,1], 'ND1':[-1,1,1], 'CD2':[0,1,1], 'CE1':[0,1,1], 'NE2':[-1,1,1]}
+    K = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'CG':[0,2,0], 'CD':[0,2,0], 'CE':[0,2,0], 'NZ':[0,3,1]}
+    Y = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0],
+         'CG':[0,0,1], 'CD1':[0,1,1], 'CD2':[0,1,1], 'CE1':[0,1,1], 'CE2':[0,1,1], 'CZ':[0,0,1], 'OH':[-1,1,0]}
+    M = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0], 'CG':[0,2,0], 'SD':[0,0,0], 'CE':[0,3,0]}
+    W = {'N': [0, 1, 0], 'CA': [0, 1, 0], 'C': [0, 0, 0], 'O': [0, 0, 0], 'CB':[0,2,0],
+         'CG':[0,0,1], 'CD1':[0,1,1], 'CD2':[0,0,1], 'NE1':[0,1,1], 'CE2':[0,0,1], 'CE3':[0,1,1], 'CZ2':[0,1,1], 'CZ3':[0,1,1], 'CH2':[0,1,1]}
+    G = {'N': [0, 1, 0], 'CA': [0, 2, 0], 'C': [0, 0, 0], 'O': [0, 0, 0]}
+
+    atom_features = {'A': A, 'V': V, 'F': F, 'P': P, 'L': L, 'I': I, 'R': R, 'D': D, 'E': E, 'S': S,
+                   'T': T, 'C': C, 'N': N, 'Q': Q, 'H': H, 'K': K, 'Y': Y, 'M': M, 'W': W, 'G': G}
+    for atom_fea in atom_features.values():
+        for i in atom_fea.keys():
+            i_fea = atom_fea[i]
+            atom_fea[i] = [i_fea[0]/2+0.5,i_fea[1]/3,i_fea[2]]
+    return atom_features
+
+def get_pdb_DF(file_path):
+    atom_fea_dict = def_atom_features()
+    res_dict = {'GLY': 'G', 'ALA': 'A', 'VAL': 'V', 'ILE': 'I', 'LEU': 'L', 'PHE': 'F', 'PRO': 'P', 'MET': 'M',
+                'TRP': 'W', 'CYS': 'C', 'SER': 'S', 'THR': 'T', 'ASN': 'N', 'GLN': 'Q', 'TYR': 'Y', 'HIS': 'H',
+                'ASP': 'D', 'GLU': 'E', 'LYS': 'K', 'ARG': 'R'}
+    Relative_atomic_mass = {'H': 1, 'C': 12, 'O': 16, 'N': 14, 'S': 32, 'FE': 56, 'P': 31, 'BR': 80, 'F': 19,
+                            'CO': 59, 'V': 51, 'I': 127, 'CL': 35.5, 'CA': 40, 'B': 10.8, 'ZN': 65.5, 'MG': 24.3,
+                            'NA': 23, 'HG': 200.6, 'MN': 55, 'K': 39.1, 'AP': 31, 'AC': 227, 'AL': 27, 'W': 183.9,
+                            'SE': 79, 'NI': 58.7}
+
+    atom_count = -1
+    res_count = -1
+    res_id_list = []
+    before_res_pdb_id = None
+    atoms = []  # List to store atom data
+
+    with open(file_path, 'r') as pdb_file:
+        for line in pdb_file:
+            if line.startswith('ATOM'):
+                atom_type = line[76:78].strip()
+                if atom_type not in Relative_atomic_mass:
+                    continue
+
+                atom_count += 1
+                res_pdb_id = int(line[22:26].strip())
+                if res_pdb_id != before_res_pdb_id:
+                    res_count += 1
+                before_res_pdb_id = res_pdb_id
+
+                atom_name = line[12:16].strip()
+                is_sidechain = 0 if atom_name in ['N', 'CA', 'C', 'O', 'H'] else 1
+                res = res_dict.get(line[17:20].strip(), 'X')  # Default to 'X' if unknown
+                xyz = [float(line[30:38]), float(line[38:46]), float(line[46:54])]
+
+                try:
+                    atom_fea = atom_fea_dict[res][atom_name]
+                except KeyError:
+                    atom_fea = [0.5, 0.5, 0.5]
+
+                try:
+                    bfactor = float(line[60:66])
+                except ValueError:
+                    bfactor = 0.5
+
+                atoms.append({
+                    'ID': atom_count,
+                    'atom': atom_name,
+                    'atom_type': atom_type,
+                    'res': res,
+                    'res_id': res_pdb_id,
+                    'xyz': xyz,
+                    'B_factor': bfactor,
+                    'mass': Relative_atomic_mass[atom_type],
+                    'is_sidechain': is_sidechain,
+                    'charge': atom_fea[0],
+                    'num_H': atom_fea[1],
+                    'ring': atom_fea[2]
+                })
+
+                if len(res_id_list) == 0 or res_id_list[-1] != res_pdb_id:
+                    res_id_list.append(res_pdb_id)
+            elif line.startswith('TER'):
+                break
+
+    return atoms, res_id_list
+
+def PDBFeature(query_id, PDB_chain_dir, results_dir):
+    pdb_path = f"{PDB_chain_dir}/{query_id}.pdb"
+    atoms, res_id_list = get_pdb_DF(pdb_path)
+
+    # with open(f"{results_dir}/{query_id}.df", 'wb') as f:
+    #     joblib.dump({'atoms': atoms, 'res_id_list': res_id_list}, f)
+
+    res_sidechain_centroid = []
+    res_types = []
+
+    for res_id in res_id_list:
+        res_atoms = [atom for atom in atoms if atom['res_id'] == res_id]
+        if not res_atoms:
+            continue
+
+        res_type = res_atoms[0]['res']
+        res_types.append(res_type)
+
+        xyz = np.array([atom['xyz'] for atom in res_atoms])
+        masses = np.array([atom['mass'] for atom in res_atoms]).reshape(-1, 1)
+        centroid = np.sum(masses * xyz, axis=0) / np.sum(masses)
+
+        sidechain_atoms = [atom for atom in res_atoms if atom['is_sidechain'] == 1]
+        if not sidechain_atoms:
+            res_sidechain_centroid.append(centroid)
+        else:
+            xyz = np.array([atom['xyz'] for atom in sidechain_atoms])
+            masses = np.array([atom['mass'] for atom in sidechain_atoms]).reshape(-1, 1)
+            sidechain_centroid = np.sum(masses * xyz, axis=0) / np.sum(masses)
+            res_sidechain_centroid.append(sidechain_centroid)
+
+    res_sidechain_centroid = np.array(res_sidechain_centroid)
+
+    with open(f"{results_dir}/{query_id}_psepos_SC.pkl", 'wb') as f:
+        joblib.dump(res_sidechain_centroid, f)
+
+    sequence = ''.join(res_types)
+    with open(f"{results_dir}/{query_id}.seq", 'w') as f:
+        f.write(f">{query_id}\n")
+        f.write(sequence)
+
+
+

scripts/process_feature/get_T5embedding.py

@@ -0,0 +1,72 @@
+import torch
+from transformers import T5EncoderModel, T5Tokenizer
+import re, argparse
+import numpy as np
+from tqdm import tqdm
+import gc
+
+def getT5(fasta_file,output_path_raw,gpu):
+
+# fasta_file = '../datasets/DNA_train_573.fa'
+# output_path_raw = './T5raw/'
+# output_path_new = './T5norm/'
+# gpu = '0'
+
+    ID_list = []
+    seq_list = []
+    with open(fasta_file, "r") as f:
+        lines = f.readlines()
+    for line in lines:
+        if line[0] == ">":
+            ID_list.append(line[1:-1])
+        elif line[0] != "0" and line[0] != "1":
+            seq_list.append(" ".join(list(line.strip())))
+
+
+    model_path = "./pretrained_model/Rostlab/prot_t5_xl_uniref50"
+    # Load the vocabulary and ProtT5-XL-UniRef50 Model
+    tokenizer = T5Tokenizer.from_pretrained(model_path, do_lower_case=False)
+    model = T5EncoderModel.from_pretrained(model_path)
+    gc.collect()
+
+    # Load the model into the GPU if avilabile and switch to inference mode
+    device = torch.device('cuda:' + gpu if torch.cuda.is_available() and gpu else 'cpu')
+    model = model.to(device)
+    model = model.eval()
+
+
+    batch_size = 1
+
+    for i in tqdm(range(0, len(ID_list), batch_size)):
+        if i + batch_size <= len(ID_list):
+            batch_ID_list = ID_list[i:i + batch_size]
+            batch_seq_list = seq_list[i:i + batch_size]
+        else:
+            batch_ID_list = ID_list[i:]
+            batch_seq_list = seq_list[i:]
+
+        # Create or load sequences and map rarely occured amino acids (U,Z,O,B) to (X)
+        batch_seq_list = [re.sub(r"[UZOB]", "X", sequence) for sequence in batch_seq_list]
+
+        # Tokenize, encode sequences and load it into the GPU if possibile
+        ids = tokenizer.batch_encode_plus(batch_seq_list, add_special_tokens=True, padding=True)
+        input_ids = torch.tensor(ids['input_ids']).to(device)
+        attention_mask = torch.tensor(ids['attention_mask']).to(device)
+
+        # Extracting sequences' features and load it into the CPU if needed
+        with torch.no_grad():
+            embedding = model(input_ids=input_ids,attention_mask=attention_mask)
+        embedding = embedding.last_hidden_state.cpu().numpy()
+
+        # Remove padding (\<pad>) and special tokens (\</s>) that is added by ProtT5-XL-UniRef50 model
+        for seq_num in range(len(embedding)):
+            seq_len = (attention_mask[seq_num] == 1).sum()
+            seq_emd = embedding[seq_num][:seq_len-1]
+            np.save(output_path_raw + batch_ID_list[seq_num], seq_emd)
+
+if __name__ == '__main__':
+    fasta_file = '../datasets/DNA_train_573.fa'
+    output_path_raw = './T5raw/'
+    output_path_new = './T5norm/'
+    gpu = '0'
+    getT5(fasta_file, output_path_raw, output_path_new, gpu)

scripts/process_feature/get_dssp.py

@@ -0,0 +1,86 @@
+import os, pickle
+import numpy as np
+from Bio import pairwise2
+from pad_feature import parse_fasta_file
+
+software_path = "./Software/"
+
+
+def process_dssp(dssp_file):
+    aa_type = "ACDEFGHIKLMNPQRSTVWY"
+    SS_type = "HBEGITSC"
+    rASA_std = [115, 135, 150, 190, 210, 75, 195, 175, 200, 170,
+                185, 160, 145, 180, 225, 115, 140, 155, 255, 230]
+
+    with open(dssp_file, "r") as f:
+        lines = f.readlines()
+
+    seq = ""
+    dssp_feature = []
+
+    p = 0
+    while lines[p].strip()[0] != "#":
+        p += 1
+    for i in range(p + 1, len(lines)):
+        aa = lines[i][13]
+        if aa == "!" or aa == "*":
+            continue
+        seq += aa
+        SS = lines[i][16]
+        if SS == " ":
+            SS = "C"
+        SS_vec = np.zeros(9) # The last dim represents "Unknown" for missing residues
+        SS_vec[SS_type.find(SS)] = 1
+        PHI = float(lines[i][103:109].strip())
+        PSI = float(lines[i][109:115].strip())
+        ACC = float(lines[i][34:38].strip())
+        ASA = min(100, round(ACC / rASA_std[aa_type.find(aa)] * 100)) / 100
+        dssp_feature.append(np.concatenate((np.array([PHI, PSI, ASA]), SS_vec)))
+
+    return seq, dssp_feature
+
+
+def match_dssp(seq, dssp, ref_seq):
+    alignments = pairwise2.align.globalxx(ref_seq, seq)
+    ref_seq = alignments[0].seqA
+    seq = alignments[0].seqB
+
+    SS_vec = np.zeros(9) # The last dim represent "Unknown" for missing residues
+    SS_vec[-1] = 1
+    padded_item = np.concatenate((np.array([360, 360, 0]), SS_vec))
+
+    new_dssp = []
+    for aa in seq:
+        if aa == "-":
+            new_dssp.append(padded_item)
+        else:
+            new_dssp.append(dssp.pop(0))
+
+    matched_dssp = []
+    for i in range(len(ref_seq)):
+        if ref_seq[i] == "-":
+            continue
+        matched_dssp.append(new_dssp[i])
+
+    return matched_dssp
+
+
+def transform_dssp(dssp_feature):
+    dssp_feature = np.array(dssp_feature)
+    angle = dssp_feature[:,0:2]
+    ASA_SS = dssp_feature[:,2:]
+
+    radian = angle * (np.pi / 180)
+    dssp_feature = np.concatenate([np.sin(radian), np.cos(radian), ASA_SS], axis = 1)
+
+    return dssp_feature
+
+
+def get_dssp(ID, ref_seq):
+    os.system("{}dssp-2.0.4/mkdssp -i ../datasets/alphafold3pdb/{}.pdb -o ./dssp/{}.dssp".format(software_path, ID, ID))
+    dssp_seq, dssp_matrix = process_dssp("./dssp/" + ID + ".dssp")
+    if dssp_seq != ref_seq:
+        dssp_matrix = match_dssp(dssp_seq, dssp_matrix, ref_seq)
+
+    np.save("./dssp/" + ID, transform_dssp(dssp_matrix))
+    os.system("rm ./dssp/" + ID + ".dssp")

scripts/process_feature/pad_feature.py

@@ -0,0 +1,118 @@
+import pickle
+import numpy as np
+import pandas as pd
+import torch
+import joblib
+from tqdm import tqdm
+
+Dataset_Path = './datasets/'
+Feature_Path = '../feature/'
+
+NODE_DIM =  14 +1024
+# max_len = 882 # within train & tests
+
+
+def get_pdb_xyz(pdb_file):
+    current_pos = -1000
+    X = []
+    current_aa = {} # 'N', 'CA', 'C', 'O'
+    for line in pdb_file:
+        if (line[0:4].strip() == "ATOM" and int(line[22:26].strip()) != current_pos) or line[0:4].strip() == "TER":
+            if current_aa != {}:
+                X.append(current_aa["CA"]) # X.append([current_aa["N"], current_aa["CA"], current_aa["C"], current_aa["O"]])
+                current_aa = {}
+            if line[0:4].strip() != "TER":
+                current_pos = int(line[22:26].strip())
+
+        if line[0:4].strip() == "ATOM":
+            atom = line[13:16].strip()
+            if atom in ['N', 'CA', 'C', 'O']:
+                xyz = np.array([line[30:38].strip(), line[38:46].strip(), line[46:54].strip()]).astype(np.float32)
+                current_aa[atom] = xyz
+    return np.array(X)
+
+
+def prepare_features(pdb_id,label,max_len):
+    # with open(Dataset_Path + "pdb/" + pdb_id + ".pdb", "r") as f:
+    #     X = get_pdb_xyz(f.readlines()) # [L, 3]
+    with open('./SC_position/'+pdb_id+'_psepos_SC.pkl', 'rb') as file:
+        X = joblib.load(file)
+    protrans = np.load(f'./T5norm/{pdb_id}.npy')
+    dssp = np.load(f'./dssp/{pdb_id}.npy') ## 107,14
+    # one = np.load(Feature_Path + f'unbindfea/seponehot/{pdb_id}.npy')
+    # res = np.load(Feature_Path + f'resAF/{pdb_id}.npy')
+
+#     print(dssp, dssp.shape)
+#     print('####')
+#     print(protrans, protrans.shape)
+    node_features = np.hstack([protrans,dssp])
+
+
+    # Padding
+    padded_X = np.zeros((max_len, 3))
+    padded_X[:X.shape[0]] = X
+    padded_X = torch.tensor(padded_X, dtype = torch.float)
+
+    padded_node_features = np.zeros((max_len, NODE_DIM))
+    padded_node_features[:node_features.shape[0]] = node_features
+    padded_node_features = torch.tensor(padded_node_features, dtype = torch.float)
+
+    masks = np.zeros(max_len)
+    masks[:X.shape[0]] = 1
+    masks = torch.tensor(masks, dtype = torch.long)
+    zero_pad = torch.zeros(1000, dtype=torch.long)
+    extended_masks = torch.cat((zero_pad, masks), dim=0)
+
+    if len(label)==X.shape[0]:
+        padded_y = np.zeros(max_len)
+        labels = np.array([int(digit) for digit in label])
+        y = labels
+        padded_y[:X.shape[0]] = y
+        padded_y = torch.tensor(padded_y, dtype = torch.float)
+
+    else:
+        print(pdb_id)
+
+    # Save
+    torch.save(padded_X, Feature_Path + f'/{pdb_id}_X.tensor')
+    torch.save(padded_node_features, Feature_Path + f'/{pdb_id}_node_feature.tensor')
+    torch.save(masks, Feature_Path + f'/{pdb_id}_mask.tensor')
+    torch.save(padded_y, Feature_Path + f'/{pdb_id}_label.tensor')
+
+
+def parse_fasta_file(file_path):
+    protein_dict = {}
+    with open(file_path, 'r') as file:
+        lines = file.readlines()
+    current_protein = None
+    sequence = ""
+    labels = ""
+    for line in lines:
+        line = line.strip()
+        if line.startswith('>'):
+            if current_protein:
+                protein_dict[current_protein] = [sequence, labels]
+                sequence = ""
+                labels = ""
+            current_protein = line[1:]  # 去掉 '>' 符号
+        elif current_protein:
+            if not sequence:
+                sequence = line
+            else:
+                labels = line
+    if current_protein:
+        protein_dict[current_protein] = [sequence, labels]
+
+    return protein_dict
+
+
+
+
+if __name__ == '__main__':
+
+
+    proteindata = parse_fasta_file('./datasets/Test_315.fa')# 使用函数
+
+    for ID in proteindata.keys():
+        # if ID !='4cej1_B':
+        prepare_features(ID,proteindata[ID][1],869)

scripts/process_feature/process_feature.py

@@ -0,0 +1,58 @@
+# -*- coding: utf-8 -*-
+import pickle
+import numpy as np
+import torch
+from tqdm import tqdm
+from pad_feature import parse_fasta_file
+from get_dssp import get_dssp
+from get_SC_position import PDBFeature
+from get_SC_adj import prepare_adj
+from get_T5embedding import getT5
+from pad_feature import prepare_features
+
+
+
+def process(dataset):
+    #处理T5序列信息
+    getT5(dataset,'./T5raw/','0')
+
+    data = parse_fasta_file(dataset)
+    Max_protrans = []
+    Min_protrans = []
+    for i, ID in tqdm(enumerate(data.keys())):
+        raw_protrans = np.load('./T5raw/' + ID + ".npy")
+        Max_protrans.append(np.max(raw_protrans, axis = 0))
+        Min_protrans.append(np.min(raw_protrans, axis = 0))
+        if i == len(data) - 1:
+            Max_protrans = np.max(np.array(Max_protrans), axis = 0)
+            Min_protrans = np.min(np.array(Min_protrans), axis = 0)
+        elif i % 5000 == 0:
+            Max_protrans = [np.max(np.array(Max_protrans), axis = 0)]
+            Min_protrans = [np.min(np.array(Min_protrans), axis = 0)]
+
+
+    for ID in tqdm(data.keys()):
+        # T5
+        raw_protrans = np.load('./T5raw/' + ID + ".npy")
+        # print(f"Max_protrans: {Max_protrans}, Min_protrans: {Min_protrans}")
+        protrans = (raw_protrans - Min_protrans) / (Max_protrans - Min_protrans)
+        # torch.save(torch.tensor(protrans, dtype = torch.float), './T5norm/' + ID + '.tensor')
+        np.save('./T5norm/' + ID + '.npy', protrans)
+
+        #dssp
+        get_dssp(ID, data[ID][0])
+
+        # SC prosition
+        PDBFeature(ID, '../datasets/alphafold3pdb', './SC_position')
+
+        # SC_adj
+        prepare_adj(ID,869)
+
+        # last
+        prepare_features(ID, data[ID][1], 869)
+
+if __name__ == '__main__':
+    fasta_file = '../datasets/PRO_Train_335.fa'
+    process(fasta_file)
+    fasta_file = '../datasets/PRO_Test_60.fa'
+    process(fasta_file)

weight/README.md

@@ -0,0 +1,18 @@
+# Runtime assets
+
+Place the five official checkpoints directly in this directory:
+
+```text
+fold0.ckpt
+fold1.ckpt
+fold2.ckpt
+fold3.ckpt
+fold4.ckpt
+```
+
+The default inference configuration also expects:
+
+- `datasets/PRO_Test60.csv`
+- complete precomputed tensors in `feature/`
+
+See the package-level `README.md` for the required feature naming convention.

weight/datasets/PRO_Test60.csv

@@ -0,0 +1,61 @@
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weight/datasets/PRO_Test_60.fa

@@ -0,0 +1,180 @@
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weight/datasets/PRO_Train335.csv

@@ -0,0 +1 @@
+ID,sequence,label

weight/datasets/alphafold3pdb/1dfjE.pdb

@@ -0,0 +1,954 @@
+PARENT N/A
+ATOM      1  N   LYS A   1     -10.621   0.091 -18.175  1.00 88.75           N
+ATOM      2  CA  LYS A   1      -9.254   0.034 -17.633  1.00 93.34           C
+ATOM      3  C   LYS A   1      -9.227   0.638 -16.229  1.00 95.07           C
+ATOM      4  O   LYS A   1      -9.820   1.687 -15.983  1.00 91.40           O
+ATOM      5  CB  LYS A   1      -8.288   0.796 -18.551  1.00 87.22           C
+ATOM      6  CG  LYS A   1      -6.825   0.604 -18.212  1.00 71.88           C
+ATOM      7  CD  LYS A   1      -5.932   1.271 -19.250  1.00 64.92           C
+ATOM      8  CE  LYS A   1      -4.466   1.026 -18.962  1.00 51.56           C
+ATOM      9  NZ  LYS A   1      -3.589   1.643 -19.990  1.00 43.22           N
+ATOM     10  N   GLU A   2      -8.557  -0.036 -15.307  1.00 96.03           N
+ATOM     11  CA  GLU A   2      -8.472   0.413 -13.917  1.00 97.54           C
+ATOM     12  C   GLU A   2      -7.733   1.737 -13.771  1.00 98.08           C
+ATOM     13  O   GLU A   2      -6.640   1.911 -14.306  1.00 97.66           O
+ATOM     14  CB  GLU A   2      -7.781  -0.675 -13.093  1.00 97.09           C
+ATOM     15  CG  GLU A   2      -7.719  -0.404 -11.600  1.00 97.05           C
+ATOM     16  CD  GLU A   2      -7.099  -1.566 -10.845  1.00 97.65           C
+ATOM     17  OE1 GLU A   2      -5.999  -2.010 -11.238  1.00 96.52           O
+ATOM     18  OE2 GLU A   2      -7.716  -2.046  -9.866  1.00 96.88           O
+ATOM     19  N   THR A   3      -8.341   2.678 -13.048  1.00 98.02           N
+ATOM     20  CA  THR A   3      -7.716   3.979 -12.815  1.00 98.23           C
+ATOM     21  C   THR A   3      -6.656   3.832 -11.730  1.00 98.55           C
+ATOM     22  O   THR A   3      -6.642   2.847 -10.988  1.00 98.52           O
+ATOM     23  CB  THR A   3      -8.743   5.025 -12.342  1.00 97.95           C
+ATOM     24  OG1 THR A   3      -9.264   4.636 -11.071  1.00 96.18           O
+ATOM     25  CG2 THR A   3      -9.885   5.153 -13.342  1.00 95.31           C
+ATOM     26  N   ALA A   4      -5.768   4.823 -11.634  1.00 98.46           N
+ATOM     27  CA  ALA A   4      -4.710   4.791 -10.629  1.00 98.68           C
+ATOM     28  C   ALA A   4      -5.322   4.784  -9.227  1.00 98.70           C
+ATOM     29  O   ALA A   4      -4.835   4.095  -8.330  1.00 98.75           O
+ATOM     30  CB  ALA A   4      -3.799   6.002 -10.798  1.00 98.36           C
+ATOM     31  N   ALA A   5      -6.382   5.549  -9.041  1.00 98.64           N
+ATOM     32  CA  ALA A   5      -7.050   5.627  -7.747  1.00 98.74           C
+ATOM     33  C   ALA A   5      -7.678   4.283  -7.387  1.00 98.83           C
+ATOM     34  O   ALA A   5      -7.580   3.823  -6.243  1.00 98.79           O
+ATOM     35  CB  ALA A   5      -8.114   6.716  -7.768  1.00 98.59           C
+ATOM     36  N   ALA A   6      -8.323   3.650  -8.362  1.00 98.85           N
+ATOM     37  CA  ALA A   6      -8.963   2.358  -8.127  1.00 98.80           C
+ATOM     38  C   ALA A   6      -7.903   1.298  -7.817  1.00 98.82           C
+ATOM     39  O   ALA A   6      -8.110   0.427  -6.971  1.00 98.83           O
+ATOM     40  CB  ALA A   6      -9.781   1.947  -9.346  1.00 98.65           C
+ATOM     41  N   LYS A   7      -6.775   1.377  -8.505  1.00 98.87           N
+ATOM     42  CA  LYS A   7      -5.687   0.425  -8.279  1.00 98.88           C
+ATOM     43  C   LYS A   7      -5.158   0.573  -6.860  1.00 98.94           C
+ATOM     44  O   LYS A   7      -4.878  -0.416  -6.187  1.00 98.88           O
+ATOM     45  CB  LYS A   7      -4.559   0.658  -9.285  1.00 98.70           C
+ATOM     46  CG  LYS A   7      -3.416  -0.345  -9.169  1.00 97.68           C
+ATOM     47  CD  LYS A   7      -2.383  -0.134 -10.262  1.00 96.05           C
+ATOM     48  CE  LYS A   7      -1.261  -1.158 -10.163  1.00 90.28           C
+ATOM     49  NZ  LYS A   7      -0.247  -0.975 -11.242  1.00 84.19           N
+ATOM     50  N   PHE A   8      -5.024   1.815  -6.392  1.00 98.98           N
+ATOM     51  CA  PHE A   8      -4.559   2.067  -5.035  1.00 98.93           C
+ATOM     52  C   PHE A   8      -5.515   1.423  -4.035  1.00 98.96           C
+ATOM     53  O   PHE A   8      -5.087   0.792  -3.066  1.00 98.96           O
+ATOM     54  CB  PHE A   8      -4.459   3.572  -4.763  1.00 98.97           C
+ATOM     55  CG  PHE A   8      -4.139   3.912  -3.323  1.00 98.98           C
+ATOM     56  CD1 PHE A   8      -5.165   4.035  -2.384  1.00 98.96           C
+ATOM     57  CD2 PHE A   8      -2.827   4.063  -2.902  1.00 98.96           C
+ATOM     58  CE1 PHE A   8      -4.877   4.299  -1.047  1.00 98.95           C
+ATOM     59  CE2 PHE A   8      -2.531   4.335  -1.570  1.00 98.94           C
+ATOM     60  CZ  PHE A   8      -3.556   4.447  -0.640  1.00 98.95           C
+ATOM     61  N   GLU A   9      -6.807   1.582  -4.273  1.00 98.95           N
+ATOM     62  CA  GLU A   9      -7.807   1.011  -3.377  1.00 98.90           C
+ATOM     63  C   GLU A   9      -7.733  -0.514  -3.359  1.00 98.94           C
+ATOM     64  O   GLU A   9      -7.807  -1.137  -2.305  1.00 98.90           O
+ATOM     65  CB  GLU A   9      -9.206   1.480  -3.774  1.00 98.87           C
+ATOM     66  CG  GLU A   9      -9.457   2.960  -3.461  1.00 97.71           C
+ATOM     67  CD  GLU A   9     -10.851   3.424  -3.880  1.00 95.75           C
+ATOM     68  OE1 GLU A   9     -11.807   2.633  -3.734  1.00 91.80           O
+ATOM     69  OE2 GLU A   9     -10.979   4.576  -4.333  1.00 92.22           O
+ATOM     70  N   ARG A  10      -7.583  -1.103  -4.537  1.00 98.99           N
+ATOM     71  CA  ARG A  10      -7.492  -2.560  -4.632  1.00 98.95           C
+ATOM     72  C   ARG A  10      -6.243  -3.082  -3.916  1.00 98.96           C
+ATOM     73  O   ARG A  10      -6.304  -4.072  -3.183  1.00 98.93           O
+ATOM     74  CB  ARG A  10      -7.450  -3.001  -6.101  1.00 98.87           C
+ATOM     75  CG  ARG A  10      -7.181  -4.499  -6.297  1.00 98.42           C
+ATOM     76  CD  ARG A  10      -7.336  -4.915  -7.747  1.00 98.04           C
+ATOM     77  NE  ARG A  10      -6.438  -4.217  -8.662  1.00 97.59           N
+ATOM     78  CZ  ARG A  10      -5.148  -4.518  -8.830  1.00 98.15           C
+ATOM     79  NH1 ARG A  10      -4.592  -5.511  -8.154  1.00 95.91           N
+ATOM     80  NH2 ARG A  10      -4.415  -3.823  -9.693  1.00 96.55           N
+ATOM     81  N   GLN A  11      -5.121  -2.427  -4.137  1.00 98.96           N
+ATOM     82  CA  GLN A  11      -3.861  -2.867  -3.552  1.00 98.92           C
+ATOM     83  C   GLN A  11      -3.643  -2.530  -2.086  1.00 98.98           C
+ATOM     84  O   GLN A  11      -2.968  -3.273  -1.372  1.00 98.93           O
+ATOM     85  CB  GLN A  11      -2.689  -2.308  -4.350  1.00 98.88           C
+ATOM     86  CG  GLN A  11      -2.568  -2.849  -5.766  1.00 98.34           C
+ATOM     87  CD  GLN A  11      -1.256  -2.477  -6.429  1.00 97.57           C
+ATOM     88  OE1 GLN A  11      -0.718  -3.240  -7.230  1.00 92.89           O
+ATOM     89  NE2 GLN A  11      -0.720  -1.312  -6.097  1.00 90.84           N
+ATOM     90  N   HIS A  12      -4.200  -1.404  -1.621  1.00 98.93           N
+ATOM     91  CA  HIS A  12      -3.902  -0.954  -0.271  1.00 98.92           C
+ATOM     92  C   HIS A  12      -5.033  -0.717   0.717  1.00 98.92           C
+ATOM     93  O   HIS A  12      -4.766  -0.462   1.894  1.00 98.94           O
+ATOM     94  CB  HIS A  12      -3.058   0.312  -0.358  1.00 98.96           C
+ATOM     95  CG  HIS A  12      -1.821   0.150  -1.187  1.00 98.97           C
+ATOM     96  ND1 HIS A  12      -0.753  -0.622  -0.791  1.00 97.97           N
+ATOM     97  CD2 HIS A  12      -1.502   0.624  -2.412  1.00 97.63           C
+ATOM     98  CE1 HIS A  12       0.168  -0.616  -1.727  1.00 98.46           C
+ATOM     99  NE2 HIS A  12      -0.255   0.134  -2.730  1.00 98.51           N
+ATOM    100  N   MET A  13      -6.272  -0.796   0.278  1.00 98.97           N
+ATOM    101  CA  MET A  13      -7.383  -0.559   1.195  1.00 98.93           C
+ATOM    102  C   MET A  13      -8.063  -1.832   1.682  1.00 98.93           C
+ATOM    103  O   MET A  13      -8.388  -2.720   0.893  1.00 98.81           O
+ATOM    104  CB  MET A  13      -8.439   0.337   0.534  1.00 98.90           C
+ATOM    105  CG  MET A  13      -7.989   1.766   0.266  1.00 98.42           C
+ATOM    106  SD  MET A  13      -7.539   2.678   1.770  1.00 98.53           S
+ATOM    107  CE  MET A  13      -9.080   2.601   2.692  1.00 97.35           C
+ATOM    108  N   ASP A  14      -8.271  -1.917   2.990  1.00 98.83           N
+ATOM    109  CA  ASP A  14      -9.028  -3.025   3.566  1.00 98.81           C
+ATOM    110  C   ASP A  14      -9.747  -2.498   4.801  1.00 98.85           C
+ATOM    111  O   ASP A  14      -9.323  -2.732   5.938  1.00 98.57           O
+ATOM    112  CB  ASP A  14      -8.146  -4.211   3.955  1.00 98.80           C
+ATOM    113  CG  ASP A  14      -8.979  -5.365   4.511  1.00 98.70           C
+ATOM    114  OD1 ASP A  14     -10.196  -5.382   4.254  1.00 98.37           O
+ATOM    115  OD2 ASP A  14      -8.414  -6.238   5.202  1.00 98.15           O
+ATOM    116  N   SER A  15     -10.839  -1.791   4.567  1.00 98.74           N
+ATOM    117  CA  SER A  15     -11.637  -1.202   5.633  1.00 98.53           C
+ATOM    118  C   SER A  15     -12.593  -2.193   6.291  1.00 98.27           C
+ATOM    119  O   SER A  15     -13.246  -1.859   7.275  1.00 96.34           O
+ATOM    120  CB  SER A  15     -12.448  -0.023   5.074  1.00 98.27           C
+ATOM    121  OG  SER A  15     -11.615   0.911   4.412  1.00 95.29           O
+ATOM    122  N   SER A  16     -12.675  -3.405   5.760  1.00 97.70           N
+ATOM    123  CA  SER A  16     -13.587  -4.407   6.295  1.00 97.16           C
+ATOM    124  C   SER A  16     -13.191  -4.941   7.671  1.00 97.07           C
+ATOM    125  O   SER A  16     -14.028  -5.477   8.394  1.00 94.18           O
+ATOM    126  CB  SER A  16     -13.714  -5.583   5.318  1.00 95.53           C
+ATOM    127  OG  SER A  16     -12.507  -6.308   5.227  1.00 86.23           O
+ATOM    128  N   THR A  17     -11.923  -4.800   8.030  1.00 97.04           N
+ATOM    129  CA  THR A  17     -11.431  -5.264   9.318  1.00 97.04           C
+ATOM    130  C   THR A  17     -10.519  -4.211   9.939  1.00 97.50           C
+ATOM    131  O   THR A  17      -9.857  -3.457   9.229  1.00 96.22           O
+ATOM    132  CB  THR A  17     -10.668  -6.597   9.164  1.00 94.84           C
+ATOM    133  OG1 THR A  17     -10.240  -7.061  10.452  1.00 85.95           O
+ATOM    134  CG2 THR A  17      -9.452  -6.417   8.266  1.00 86.91           C
+ATOM    135  N   SER A  18     -10.493  -4.152  11.265  1.00 97.37           N
+ATOM    136  CA  SER A  18      -9.676  -3.172  11.967  1.00 97.51           C
+ATOM    137  C   SER A  18      -8.206  -3.557  12.083  1.00 97.88           C
+ATOM    138  O   SER A  18      -7.369  -2.735  12.473  1.00 95.91           O
+ATOM    139  CB  SER A  18     -10.248  -2.928  13.368  1.00 96.28           C
+ATOM    140  OG  SER A  18     -10.228  -4.115  14.132  1.00 86.83           O
+ATOM    141  N   ALA A  19      -7.883  -4.798  11.751  1.00 96.98           N
+ATOM    142  CA  ALA A  19      -6.514  -5.287  11.825  1.00 97.23           C
+ATOM    143  C   ALA A  19      -6.413  -6.652  11.162  1.00 97.27           C
+ATOM    144  O   ALA A  19      -7.425  -7.280  10.857  1.00 95.42           O
+ATOM    145  CB  ALA A  19      -6.068  -5.381  13.273  1.00 95.79           C
+ATOM    146  N   ALA A  20      -5.177  -7.110  10.939  1.00 95.85           N
+ATOM    147  CA  ALA A  20      -4.969  -8.420  10.330  1.00 95.47           C
+ATOM    148  C   ALA A  20      -5.679  -9.455  11.196  1.00 94.13           C
+ATOM    149  O   ALA A  20      -5.498  -9.486  12.409  1.00 91.52           O
+ATOM    150  CB  ALA A  20      -3.476  -8.729  10.256  1.00 94.98           C
+ATOM    151  N   SER A  21      -6.502 -10.299  10.574  1.00 93.32           N
+ATOM    152  CA  SER A  21      -7.267 -11.304  11.292  1.00 91.33           C
+ATOM    153  C   SER A  21      -6.447 -12.478  11.814  1.00 92.25           C
+ATOM    154  O   SER A  21      -6.806 -13.095  12.814  1.00 86.81           O
+ATOM    155  CB  SER A  21      -8.397 -11.830  10.406  1.00 87.30           C
+ATOM    156  OG  SER A  21      -7.880 -12.364   9.206  1.00 79.55           O
+ATOM    157  N   SER A  22      -5.343 -12.790  11.140  1.00 96.10           N
+ATOM    158  CA  SER A  22      -4.494 -13.904  11.546  1.00 96.85           C
+ATOM    159  C   SER A  22      -3.146 -13.833  10.842  1.00 97.87           C
+ATOM    160  O   SER A  22      -2.919 -12.959   9.999  1.00 97.40           O
+ATOM    161  CB  SER A  22      -5.167 -15.235  11.190  1.00 94.73           C
+ATOM    162  OG  SER A  22      -5.125 -15.461   9.791  1.00 89.89           O
+ATOM    163  N   SER A  23      -2.253 -14.752  11.177  1.00 97.37           N
+ATOM    164  CA  SER A  23      -0.938 -14.790  10.564  1.00 97.51           C
+ATOM    165  C   SER A  23      -1.020 -15.145   9.080  1.00 97.97           C
+ATOM    166  O   SER A  23      -0.052 -14.962   8.337  1.00 97.02           O
+ATOM    167  CB  SER A  23      -0.047 -15.810  11.284  1.00 96.33           C
+ATOM    168  OG  SER A  23      -0.605 -17.102  11.217  1.00 88.38           O
+ATOM    169  N   ASN A  24      -2.174 -15.636   8.661  1.00 97.88           N
+ATOM    170  CA  ASN A  24      -2.368 -16.021   7.266  1.00 97.84           C
+ATOM    171  C   ASN A  24      -3.051 -14.926   6.445  1.00 98.39           C
+ATOM    172  O   ASN A  24      -3.351 -15.111   5.264  1.00 97.99           O
+ATOM    173  CB  ASN A  24      -3.191 -17.308   7.191  1.00 96.19           C
+ATOM    174  CG  ASN A  24      -3.062 -18.010   5.855  1.00 89.24           C
+ATOM    175  OD1 ASN A  24      -1.953 -18.215   5.360  1.00 81.35           O
+ATOM    176  ND2 ASN A  24      -4.192 -18.391   5.270  1.00 78.59           N
+ATOM    177  N   TYR A  25      -3.287 -13.766   7.076  1.00 98.38           N
+ATOM    178  CA  TYR A  25      -3.957 -12.641   6.419  1.00 98.60           C
+ATOM    179  C   TYR A  25      -3.314 -12.254   5.091  1.00 98.66           C
+ATOM    180  O   TYR A  25      -3.996 -12.115   4.080  1.00 98.69           O
+ATOM    181  CB  TYR A  25      -3.988 -11.438   7.366  1.00 98.64           C
+ATOM    182  CG  TYR A  25      -4.519 -10.162   6.746  1.00 98.74           C
+ATOM    183  CD1 TYR A  25      -3.665  -9.287   6.068  1.00 98.70           C
+ATOM    184  CD2 TYR A  25      -5.863  -9.815   6.844  1.00 98.71           C
+ATOM    185  CE1 TYR A  25      -4.145  -8.115   5.494  1.00 98.69           C
+ATOM    186  CE2 TYR A  25      -6.351  -8.645   6.276  1.00 98.69           C
+ATOM    187  CZ  TYR A  25      -5.486  -7.799   5.602  1.00 98.74           C
+ATOM    188  OH  TYR A  25      -5.963  -6.634   5.045  1.00 98.64           O
+ATOM    189  N   CYS A  26      -2.007 -12.073   5.096  1.00 98.71           N
+ATOM    190  CA  CYS A  26      -1.328 -11.675   3.874  1.00 98.82           C
+ATOM    191  C   CYS A  26      -1.384 -12.722   2.765  1.00 98.74           C
+ATOM    192  O   CYS A  26      -1.534 -12.376   1.596  1.00 98.71           O
+ATOM    193  CB  CYS A  26       0.121 -11.290   4.168  1.00 98.84           C
+ATOM    194  SG  CYS A  26       0.290  -9.683   4.993  1.00 98.83           S
+ATOM    195  N   ASN A  27      -1.264 -13.996   3.127  1.00 98.63           N
+ATOM    196  CA  ASN A  27      -1.323 -15.039   2.111  1.00 98.42           C
+ATOM    197  C   ASN A  27      -2.684 -15.000   1.412  1.00 98.31           C
+ATOM    198  O   ASN A  27      -2.774 -15.211   0.203  1.00 97.99           O
+ATOM    199  CB  ASN A  27      -1.106 -16.424   2.728  1.00 98.30           C
+ATOM    200  CG  ASN A  27       0.330 -16.646   3.135  1.00 97.93           C
+ATOM    201  OD1 ASN A  27       1.259 -16.109   2.538  1.00 95.17           O
+ATOM    202  ND2 ASN A  27       0.531 -17.471   4.162  1.00 93.66           N
+ATOM    203  N   GLN A  28      -3.727 -14.719   2.187  1.00 98.36           N
+ATOM    204  CA  GLN A  28      -5.079 -14.658   1.641  1.00 98.14           C
+ATOM    205  C   GLN A  28      -5.329 -13.372   0.847  1.00 98.38           C
+ATOM    206  O   GLN A  28      -5.843 -13.410  -0.276  1.00 98.21           O
+ATOM    207  CB  GLN A  28      -6.100 -14.755   2.777  1.00 97.61           C
+ATOM    208  CG  GLN A  28      -5.969 -16.011   3.624  1.00 90.56           C
+ATOM    209  CD  GLN A  28      -6.888 -15.994   4.834  1.00 82.90           C
+ATOM    210  OE1 GLN A  28      -6.957 -15.006   5.566  1.00 77.05           O
+ATOM    211  NE2 GLN A  28      -7.597 -17.097   5.048  1.00 71.92           N
+ATOM    212  N   MET A  29      -4.962 -12.230   1.422  1.00 98.42           N
+ATOM    213  CA  MET A  29      -5.193 -10.941   0.784  1.00 98.55           C
+ATOM    214  C   MET A  29      -4.356 -10.664  -0.465  1.00 98.69           C
+ATOM    215  O   MET A  29      -4.857 -10.103  -1.437  1.00 98.54           O
+ATOM    216  CB  MET A  29      -5.004  -9.808   1.794  1.00 98.48           C
+ATOM    217  CG  MET A  29      -6.091  -9.732   2.850  1.00 96.97           C
+ATOM    218  SD  MET A  29      -7.701  -9.309   2.141  1.00 96.22           S
+ATOM    219  CE  MET A  29      -7.444  -7.572   1.782  1.00 92.76           C
+ATOM    220  N   MET A  30      -3.083 -11.036  -0.435  1.00 98.74           N
+ATOM    221  CA  MET A  30      -2.233 -10.788  -1.598  1.00 98.77           C
+ATOM    222  C   MET A  30      -2.803 -11.530  -2.807  1.00 98.63           C
+ATOM    223  O   MET A  30      -2.742 -11.042  -3.936  1.00 98.46           O
+ATOM    224  CB  MET A  30      -0.794 -11.232  -1.322  1.00 98.82           C
+ATOM    225  CG  MET A  30      -0.075 -10.397  -0.273  1.00 98.68           C
+ATOM    226  SD  MET A  30       0.089  -8.656  -0.723  1.00 98.65           S
+ATOM    227  CE  MET A  30       1.425  -8.737  -1.899  1.00 98.26           C
+ATOM    228  N   LYS A  31      -3.370 -12.700  -2.547  1.00 98.69           N
+ATOM    229  CA  LYS A  31      -3.962 -13.497  -3.617  1.00 98.41           C
+ATOM    230  C   LYS A  31      -5.304 -12.940  -4.070  1.00 98.49           C
+ATOM    231  O   LYS A  31      -5.533 -12.750  -5.269  1.00 98.19           O
+ATOM    232  CB  LYS A  31      -4.131 -14.947  -3.165  1.00 97.96           C
+ATOM    233  CG  LYS A  31      -4.738 -15.858  -4.222  1.00 89.75           C
+ATOM    234  CD  LYS A  31      -4.842 -17.291  -3.721  1.00 87.70           C
+ATOM    235  CE  LYS A  31      -5.449 -18.205  -4.786  1.00 76.77           C
+ATOM    236  NZ  LYS A  31      -5.548 -19.613  -4.321  1.00 68.20           N
+ATOM    237  N   SER A  32      -6.190 -12.663  -3.124  1.00 98.43           N
+ATOM    238  CA  SER A  32      -7.517 -12.162  -3.461  1.00 98.38           C
+ATOM    239  C   SER A  32      -7.506 -10.800  -4.157  1.00 98.46           C
+ATOM    240  O   SER A  32      -8.395 -10.504  -4.959  1.00 98.13           O
+ATOM    241  CB  SER A  32      -8.404 -12.093  -2.205  1.00 97.82           C
+ATOM    242  OG  SER A  32      -7.953 -11.095  -1.316  1.00 83.98           O
+ATOM    243  N   ARG A  33      -6.503  -9.981  -3.877  1.00 98.74           N
+ATOM    244  CA  ARG A  33      -6.400  -8.659  -4.495  1.00 98.78           C
+ATOM    245  C   ARG A  33      -5.577  -8.701  -5.792  1.00 98.62           C
+ATOM    246  O   ARG A  33      -5.204  -7.657  -6.333  1.00 98.42           O
+ATOM    247  CB  ARG A  33      -5.813  -7.658  -3.511  1.00 98.73           C
+ATOM    248  CG  ARG A  33      -6.692  -7.378  -2.290  1.00 98.31           C
+ATOM    249  CD  ARG A  33      -8.081  -6.875  -2.681  1.00 98.24           C
+ATOM    250  NE  ARG A  33      -8.920  -6.542  -1.521  1.00 98.36           N
+ATOM    251  CZ  ARG A  33      -8.817  -5.405  -0.821  1.00 98.59           C
+ATOM    252  NH1 ARG A  33      -7.932  -4.476  -1.166  1.00 97.32           N
+ATOM    253  NH2 ARG A  33      -9.608  -5.196   0.230  1.00 97.59           N
+ATOM    254  N   ASN A  34      -5.303  -9.903  -6.271  1.00 98.67           N
+ATOM    255  CA  ASN A  34      -4.574 -10.114  -7.512  1.00 98.53           C
+ATOM    256  C   ASN A  34      -3.142  -9.567  -7.519  1.00 98.57           C
+ATOM    257  O   ASN A  34      -2.661  -9.065  -8.538  1.00 97.97           O
+ATOM    258  CB  ASN A  34      -5.350  -9.526  -8.704  1.00 97.89           C
+ATOM    259  CG  ASN A  34      -6.689 -10.208  -8.920  1.00 93.52           C
+ATOM    260  OD1 ASN A  34      -6.772 -11.435  -8.929  1.00 83.99           O
+ATOM    261  ND2 ASN A  34      -7.733  -9.415  -9.102  1.00 80.21           N
+ATOM    262  N   LEU A  35      -2.460  -9.688  -6.383  1.00 98.73           N
+ATOM    263  CA  LEU A  35      -1.082  -9.200  -6.276  1.00 98.77           C
+ATOM    264  C   LEU A  35      -0.078 -10.333  -6.452  1.00 98.79           C
+ATOM    265  O   LEU A  35       1.126 -10.129  -6.303  1.00 98.33           O
+ATOM    266  CB  LEU A  35      -0.888  -8.504  -4.921  1.00 98.75           C
+ATOM    267  CG  LEU A  35      -1.873  -7.359  -4.664  1.00 98.04           C
+ATOM    268  CD1 LEU A  35      -1.599  -6.710  -3.314  1.00 96.61           C
+ATOM    269  CD2 LEU A  35      -1.777  -6.328  -5.772  1.00 95.97           C
+ATOM    270  N   THR A  36      -0.581 -11.528  -6.777  1.00 98.76           N
+ATOM    271  CA  THR A  36       0.283 -12.689  -6.982  1.00 98.57           C
+ATOM    272  C   THR A  36      -0.076 -13.377  -8.295  1.00 98.24           C
+ATOM    273  O   THR A  36       0.274 -14.541  -8.515  1.00 96.90           O
+ATOM    274  CB  THR A  36       0.122 -13.715  -5.842  1.00 98.44           C
+ATOM    275  OG1 THR A  36      -1.223 -14.206  -5.825  1.00 97.94           O
+ATOM    276  CG2 THR A  36       0.436 -13.072  -4.500  1.00 97.79           C
+ATOM    277  N   LYS A  37      -0.769 -12.654  -9.177  1.00 97.96           N
+ATOM    278  CA  LYS A  37      -1.217 -13.206 -10.448  1.00 97.04           C
+ATOM    279  C   LYS A  37      -0.107 -13.489 -11.462  1.00 96.35           C
+ATOM    280  O   LYS A  37      -0.020 -14.593 -11.997  1.00 91.75           O
+ATOM    281  CB  LYS A  37      -2.263 -12.278 -11.075  1.00 95.08           C
+ATOM    282  CG  LYS A  37      -2.918 -12.843 -12.323  1.00 85.09           C
+ATOM    283  CD  LYS A  37      -4.010 -11.907 -12.826  1.00 82.29           C
+ATOM    284  CE  LYS A  37      -4.697 -12.481 -14.050  1.00 72.04           C
+ATOM    285  NZ  LYS A  37      -5.792 -11.596 -14.545  1.00 62.92           N
+ATOM    286  N   ASP A  38       0.730 -12.489 -11.728  1.00 96.16           N
+ATOM    287  CA  ASP A  38       1.811 -12.660 -12.702  1.00 95.77           C
+ATOM    288  C   ASP A  38       3.159 -12.920 -12.040  1.00 96.59           C
+ATOM    289  O   ASP A  38       4.077 -13.461 -12.656  1.00 94.36           O
+ATOM    290  CB  ASP A  38       1.900 -11.419 -13.590  1.00 93.43           C
+ATOM    291  CG  ASP A  38       0.596 -11.115 -14.307  1.00 86.96           C
+ATOM    292  OD1 ASP A  38       0.068 -12.022 -14.988  1.00 81.35           O
+ATOM    293  OD2 ASP A  38       0.099  -9.987 -14.177  1.00 80.12           O
+ATOM    294  N   ARG A  39       3.254 -12.532 -10.777  1.00 97.75           N
+ATOM    295  CA  ARG A  39       4.470 -12.690  -9.996  1.00 97.77           C
+ATOM    296  C   ARG A  39       4.098 -12.438  -8.546  1.00 98.33           C
+ATOM    297  O   ARG A  39       3.007 -11.943  -8.254  1.00 98.11           O
+ATOM    298  CB  ARG A  39       5.535 -11.690 -10.437  1.00 95.90           C
+ATOM    299  CG  ARG A  39       5.391 -10.300  -9.811  1.00 90.03           C
+ATOM    300  CD  ARG A  39       6.449  -9.350 -10.321  1.00 87.65           C
+ATOM    301  NE  ARG A  39       6.049  -8.699 -11.556  1.00 79.53           N
+ATOM    302  CZ  ARG A  39       5.200  -7.677 -11.612  1.00 71.48           C
+ATOM    303  NH1 ARG A  39       4.658  -7.178 -10.500  1.00 65.36           N
+ATOM    304  NH2 ARG A  39       4.890  -7.147 -12.787  1.00 65.44           N
+ATOM    305  N   CYS A  40       4.993 -12.755  -7.621  1.00 98.40           N
+ATOM    306  CA  CYS A  40       4.731 -12.479  -6.210  1.00 98.68           C
+ATOM    307  C   CYS A  40       5.200 -11.054  -5.936  1.00 98.74           C
+ATOM    308  O   CYS A  40       6.391 -10.775  -5.969  1.00 98.44           O
+ATOM    309  CB  CYS A  40       5.520 -13.442  -5.318  1.00 98.67           C
+ATOM    310  SG  CYS A  40       5.205 -15.214  -5.559  1.00 98.58           S
+ATOM    311  N   LYS A  41       4.248 -10.138  -5.666  1.00 98.75           N
+ATOM    312  CA  LYS A  41       4.641  -8.767  -5.343  1.00 98.71           C
+ATOM    313  C   LYS A  41       5.416  -8.908  -4.027  1.00 98.75           C
+ATOM    314  O   LYS A  41       4.872  -9.415  -3.047  1.00 98.72           O
+ATOM    315  CB  LYS A  41       3.417  -7.877  -5.148  1.00 98.72           C
+ATOM    316  CG  LYS A  41       3.780  -6.414  -4.932  1.00 98.40           C
+ATOM    317  CD  LYS A  41       2.567  -5.521  -4.787  1.00 97.79           C
+ATOM    318  CE  LYS A  41       2.984  -4.072  -4.592  1.00 96.40           C
+ATOM    319  NZ  LYS A  41       1.825  -3.165  -4.400  1.00 94.35           N
+ATOM    320  N   PRO A  42       6.684  -8.495  -3.990  1.00 98.71           N
+ATOM    321  CA  PRO A  42       7.528  -8.653  -2.803  1.00 98.65           C
+ATOM    322  C   PRO A  42       7.058  -8.011  -1.499  1.00 98.72           C
+ATOM    323  O   PRO A  42       7.204  -8.603  -0.426  1.00 98.54           O
+ATOM    324  CB  PRO A  42       8.889  -8.127  -3.260  1.00 98.16           C
+ATOM    325  CG  PRO A  42       8.532  -7.125  -4.311  1.00 96.15           C
+ATOM    326  CD  PRO A  42       7.414  -7.814  -5.068  1.00 98.29           C
+ATOM    327  N   VAL A  43       6.508  -6.806  -1.583  1.00 98.77           N
+ATOM    328  CA  VAL A  43       6.024  -6.120  -0.388  1.00 98.69           C
+ATOM    329  C   VAL A  43       4.758  -5.344  -0.695  1.00 98.72           C
+ATOM    330  O   VAL A  43       4.563  -4.866  -1.811  1.00 98.63           O
+ATOM    331  CB  VAL A  43       7.081  -5.131   0.175  1.00 98.14           C
+ATOM    332  CG1 VAL A  43       8.321  -5.893   0.608  1.00 90.90           C
+ATOM    333  CG2 VAL A  43       7.439  -4.092  -0.883  1.00 91.58           C
+ATOM    334  N   ASN A  44       3.883  -5.229   0.298  1.00 98.85           N
+ATOM    335  CA  ASN A  44       2.634  -4.497   0.128  1.00 98.90           C
+ATOM    336  C   ASN A  44       2.039  -4.180   1.487  1.00 98.96           C
+ATOM    337  O   ASN A  44       2.185  -4.961   2.426  1.00 98.84           O
+ATOM    338  CB  ASN A  44       1.626  -5.316  -0.686  1.00 98.91           C
+ATOM    339  CG  ASN A  44       0.435  -4.490  -1.119  1.00 98.89           C
+ATOM    340  OD1 ASN A  44       0.558  -3.615  -1.975  1.00 97.03           O
+ATOM    341  ND2 ASN A  44      -0.722  -4.755  -0.534  1.00 97.18           N
+ATOM    342  N   THR A  45       1.374  -3.037   1.589  1.00 98.84           N
+ATOM    343  CA  THR A  45       0.754  -2.627   2.847  1.00 98.98           C
+ATOM    344  C   THR A  45      -0.742  -2.400   2.659  1.00 98.96           C
+ATOM    345  O   THR A  45      -1.160  -1.787   1.680  1.00 98.92           O
+ATOM    346  CB  THR A  45       1.385  -1.321   3.367  1.00 98.92           C
+ATOM    347  OG1 THR A  45       2.784  -1.518   3.594  1.00 98.55           O
+ATOM    348  CG2 THR A  45       0.723  -0.888   4.671  1.00 98.69           C
+ATOM    349  N   PHE A  46      -1.533  -2.904   3.607  1.00 98.80           N
+ATOM    350  CA  PHE A  46      -2.971  -2.714   3.590  1.00 98.89           C
+ATOM    351  C   PHE A  46      -3.315  -1.770   4.738  1.00 98.85           C
+ATOM    352  O   PHE A  46      -2.758  -1.887   5.829  1.00 98.86           O
+ATOM    353  CB  PHE A  46      -3.698  -4.045   3.795  1.00 98.89           C
+ATOM    354  CG  PHE A  46      -3.616  -4.963   2.604  1.00 98.91           C
+ATOM    355  CD1 PHE A  46      -4.401  -4.738   1.484  1.00 98.85           C
+ATOM    356  CD2 PHE A  46      -2.731  -6.041   2.597  1.00 98.86           C
+ATOM    357  CE1 PHE A  46      -4.317  -5.567   0.370  1.00 98.80           C
+ATOM    358  CE2 PHE A  46      -2.641  -6.877   1.483  1.00 98.80           C
+ATOM    359  CZ  PHE A  46      -3.436  -6.640   0.373  1.00 98.82           C
+ATOM    360  N   VAL A  47      -4.222  -0.823   4.479  1.00 98.98           N
+ATOM    361  CA  VAL A  47      -4.623   0.154   5.492  1.00 98.92           C
+ATOM    362  C   VAL A  47      -6.029  -0.153   5.986  1.00 98.97           C
+ATOM    363  O   VAL A  47      -6.969  -0.229   5.195  1.00 98.89           O
+ATOM    364  CB  VAL A  47      -4.576   1.586   4.917  1.00 98.93           C
+ATOM    365  CG1 VAL A  47      -4.892   2.599   6.014  1.00 98.82           C
+ATOM    366  CG2 VAL A  47      -3.201   1.871   4.327  1.00 98.84           C
+ATOM    367  N   HIS A  48      -6.163  -0.314   7.296  1.00 98.84           N
+ATOM    368  CA  HIS A  48      -7.447  -0.634   7.911  1.00 98.88           C
+ATOM    369  C   HIS A  48      -8.165   0.596   8.455  1.00 98.75           C
+ATOM    370  O   HIS A  48      -8.462   0.687   9.648  1.00 98.43           O
+ATOM    371  CB  HIS A  48      -7.236  -1.639   9.038  1.00 98.81           C
+ATOM    372  CG  HIS A  48      -6.497  -2.874   8.623  1.00 98.84           C
+ATOM    373  ND1 HIS A  48      -6.999  -3.776   7.721  1.00 97.92           N
+ATOM    374  CD2 HIS A  48      -5.277  -3.335   8.987  1.00 97.87           C
+ATOM    375  CE1 HIS A  48      -6.124  -4.751   7.539  1.00 98.16           C
+ATOM    376  NE2 HIS A  48      -5.067  -4.506   8.293  1.00 98.25           N
+ATOM    377  N   GLU A  49      -8.456   1.541   7.579  1.00 98.81           N
+ATOM    378  CA  GLU A  49      -9.150   2.761   7.952  1.00 98.88           C
+ATOM    379  C   GLU A  49     -10.195   3.013   6.876  1.00 98.85           C
+ATOM    380  O   GLU A  49     -10.186   2.364   5.833  1.00 98.60           O
+ATOM    381  CB  GLU A  49      -8.178   3.944   8.026  1.00 98.83           C
+ATOM    382  CG  GLU A  49      -7.004   3.763   8.994  1.00 98.67           C
+ATOM    383  CD  GLU A  49      -7.417   3.703  10.458  1.00 98.65           C
+ATOM    384  OE1 GLU A  49      -8.554   4.097  10.786  1.00 97.82           O
+ATOM    385  OE2 GLU A  49      -6.592   3.269  11.294  1.00 97.68           O
+ATOM    386  N   SER A  50     -11.102   3.947   7.120  1.00 98.86           N
+ATOM    387  CA  SER A  50     -12.133   4.250   6.138  1.00 98.85           C
+ATOM    388  C   SER A  50     -11.477   4.895   4.912  1.00 98.86           C
+ATOM    389  O   SER A  50     -10.421   5.526   5.016  1.00 98.83           O
+ATOM    390  CB  SER A  50     -13.171   5.217   6.722  1.00 98.64           C
+ATOM    391  OG  SER A  50     -12.603   6.496   6.941  1.00 97.29           O
+ATOM    392  N   LEU A  51     -12.103   4.737   3.761  1.00 98.79           N
+ATOM    393  CA  LEU A  51     -11.564   5.331   2.539  1.00 98.70           C
+ATOM    394  C   LEU A  51     -11.484   6.844   2.710  1.00 98.89           C
+ATOM    395  O   LEU A  51     -10.522   7.476   2.278  1.00 98.80           O
+ATOM    396  CB  LEU A  51     -12.451   4.977   1.341  1.00 98.65           C
+ATOM    397  CG  LEU A  51     -12.026   5.587   0.002  1.00 98.25           C
+ATOM    398  CD1 LEU A  51     -10.613   5.143  -0.350  1.00 98.12           C
+ATOM    399  CD2 LEU A  51     -13.005   5.151  -1.089  1.00 97.95           C
+ATOM    400  N   ALA A  52     -12.488   7.422   3.340  1.00 98.77           N
+ATOM    401  CA  ALA A  52     -12.528   8.859   3.554  1.00 98.75           C
+ATOM    402  C   ALA A  52     -11.312   9.340   4.358  1.00 98.89           C
+ATOM    403  O   ALA A  52     -10.713  10.363   4.037  1.00 98.80           O
+ATOM    404  CB  ALA A  52     -13.819   9.252   4.272  1.00 98.51           C
+ATOM    405  N   ASP A  53     -10.951   8.592   5.397  1.00 98.84           N
+ATOM    406  CA  ASP A  53      -9.809   8.973   6.226  1.00 98.80           C
+ATOM    407  C   ASP A  53      -8.487   8.870   5.461  1.00 98.92           C
+ATOM    408  O   ASP A  53      -7.592   9.691   5.639  1.00 98.92           O
+ATOM    409  CB  ASP A  53      -9.739   8.108   7.490  1.00 98.78           C
+ATOM    410  CG  ASP A  53     -10.757   8.524   8.547  1.00 97.80           C
+ATOM    411  OD1 ASP A  53     -11.368   9.608   8.402  1.00 96.03           O
+ATOM    412  OD2 ASP A  53     -10.938   7.781   9.527  1.00 95.30           O
+ATOM    413  N   VAL A  54      -8.359   7.856   4.613  1.00 98.98           N
+ATOM    414  CA  VAL A  54      -7.135   7.690   3.840  1.00 98.90           C
+ATOM    415  C   VAL A  54      -7.042   8.754   2.748  1.00 98.93           C
+ATOM    416  O   VAL A  54      -5.966   9.293   2.479  1.00 98.95           O
+ATOM    417  CB  VAL A  54      -7.050   6.272   3.227  1.00 98.94           C
+ATOM    418  CG1 VAL A  54      -5.815   6.144   2.346  1.00 98.84           C
+ATOM    419  CG2 VAL A  54      -7.000   5.241   4.349  1.00 98.87           C
+ATOM    420  N   GLN A  55      -8.177   9.085   2.127  1.00 98.99           N
+ATOM    421  CA  GLN A  55      -8.183  10.115   1.091  1.00 98.96           C
+ATOM    422  C   GLN A  55      -7.840  11.471   1.705  1.00 98.96           C
+ATOM    423  O   GLN A  55      -7.196  12.310   1.072  1.00 98.85           O
+ATOM    424  CB  GLN A  55      -9.559  10.185   0.423  1.00 98.78           C
+ATOM    425  CG  GLN A  55      -9.932   8.934  -0.369  1.00 97.84           C
+ATOM    426  CD  GLN A  55     -11.310   9.033  -0.992  1.00 96.94           C
+ATOM    427  OE1 GLN A  55     -12.258   9.477  -0.350  1.00 93.11           O
+ATOM    428  NE2 GLN A  55     -11.426   8.616  -2.243  1.00 91.63           N
+ATOM    429  N   ALA A  56      -8.248  11.668   2.956  1.00 98.93           N
+ATOM    430  CA  ALA A  56      -7.991  12.925   3.650  1.00 98.91           C
+ATOM    431  C   ALA A  56      -6.492  13.181   3.866  1.00 98.91           C
+ATOM    432  O   ALA A  56      -6.078  14.324   4.079  1.00 98.86           O
+ATOM    433  CB  ALA A  56      -8.711  12.930   4.998  1.00 98.76           C
+ATOM    434  N   VAL A  57      -5.677  12.134   3.805  1.00 98.90           N
+ATOM    435  CA  VAL A  57      -4.235  12.290   3.996  1.00 98.96           C
+ATOM    436  C   VAL A  57      -3.640  13.207   2.929  1.00 98.94           C
+ATOM    437  O   VAL A  57      -2.637  13.886   3.166  1.00 98.91           O
+ATOM    438  CB  VAL A  57      -3.523  10.925   3.978  1.00 98.95           C
+ATOM    439  CG1 VAL A  57      -2.018  11.098   4.137  1.00 98.87           C
+ATOM    440  CG2 VAL A  57      -4.052  10.052   5.117  1.00 98.88           C
+ATOM    441  N   CYS A  58      -4.277  13.256   1.750  1.00 98.97           N
+ATOM    442  CA  CYS A  58      -3.796  14.107   0.664  1.00 98.90           C
+ATOM    443  C   CYS A  58      -3.849  15.594   1.008  1.00 98.95           C
+ATOM    444  O   CYS A  58      -3.316  16.422   0.264  1.00 98.75           O
+ATOM    445  CB  CYS A  58      -4.606  13.847  -0.612  1.00 98.94           C
+ATOM    446  SG  CYS A  58      -4.410  12.192  -1.318  1.00 98.88           S
+ATOM    447  N   SER A  59      -4.485  15.938   2.123  1.00 98.84           N
+ATOM    448  CA  SER A  59      -4.564  17.325   2.562  1.00 98.79           C
+ATOM    449  C   SER A  59      -3.827  17.525   3.888  1.00 98.79           C
+ATOM    450  O   SER A  59      -3.990  18.553   4.550  1.00 98.20           O
+ATOM    451  CB  SER A  59      -6.026  17.754   2.729  1.00 98.08           C
+ATOM    452  OG  SER A  59      -6.707  17.746   1.488  1.00 93.40           O
+ATOM    453  N   GLN A  60      -3.009  16.542   4.263  1.00 98.98           N
+ATOM    454  CA  GLN A  60      -2.289  16.627   5.533  1.00 98.88           C
+ATOM    455  C   GLN A  60      -0.824  17.034   5.345  1.00 98.83           C
+ATOM    456  O   GLN A  60      -0.534  17.908   4.541  1.00 98.61           O
+ATOM    457  CB  GLN A  60      -2.499  15.320   6.296  1.00 98.86           C
+ATOM    458  CG  GLN A  60      -3.952  15.221   6.798  1.00 98.76           C
+ATOM    459  CD  GLN A  60      -4.354  13.876   7.366  1.00 98.66           C
+ATOM    460  OE1 GLN A  60      -3.544  13.160   7.951  1.00 96.78           O
+ATOM    461  NE2 GLN A  60      -5.628  13.534   7.224  1.00 96.53           N
+ATOM    462  N   LYS A  61       0.110  16.454   6.101  1.00 98.82           N
+ATOM    463  CA  LYS A  61       1.511  16.870   6.053  1.00 98.84           C
+ATOM    464  C   LYS A  61       2.236  16.569   4.742  1.00 98.94           C
+ATOM    465  O   LYS A  61       2.498  15.412   4.421  1.00 98.82           O
+ATOM    466  CB  LYS A  61       2.278  16.238   7.210  1.00 98.71           C
+ATOM    467  CG  LYS A  61       3.719  16.696   7.321  1.00 97.17           C
+ATOM    468  CD  LYS A  61       4.430  16.020   8.481  1.00 95.33           C
+ATOM    469  CE  LYS A  61       5.883  16.472   8.592  1.00 90.43           C
+ATOM    470  NZ  LYS A  61       6.599  15.796   9.709  1.00 84.84           N
+ATOM    471  N   ASN A  62       2.592  17.611   3.996  1.00 98.85           N
+ATOM    472  CA  ASN A  62       3.299  17.451   2.729  1.00 98.82           C
+ATOM    473  C   ASN A  62       4.757  17.061   2.997  1.00 98.87           C
+ATOM    474  O   ASN A  62       5.450  17.739   3.757  1.00 98.70           O
+ATOM    475  CB  ASN A  62       3.256  18.769   1.947  1.00 98.70           C
+ATOM    476  CG  ASN A  62       3.864  18.662   0.561  1.00 97.92           C
+ATOM    477  OD1 ASN A  62       4.417  19.634   0.036  1.00 93.03           O
+ATOM    478  ND2 ASN A  62       3.754  17.501  -0.062  1.00 90.42           N
+ATOM    479  N   VAL A  63       5.216  15.976   2.378  1.00 98.88           N
+ATOM    480  CA  VAL A  63       6.588  15.503   2.542  1.00 98.72           C
+ATOM    481  C   VAL A  63       7.137  15.039   1.199  1.00 98.81           C
+ATOM    482  O   VAL A  63       6.389  14.818   0.258  1.00 98.60           O
+ATOM    483  CB  VAL A  63       6.658  14.311   3.540  1.00 98.55           C
+ATOM    484  CG1 VAL A  63       6.157  14.742   4.911  1.00 97.74           C
+ATOM    485  CG2 VAL A  63       5.841  13.139   3.018  1.00 97.74           C
+ATOM    486  N   ALA A  64       8.462  14.904   1.122  1.00 98.67           N
+ATOM    487  CA  ALA A  64       9.089  14.450  -0.112  1.00 98.58           C
+ATOM    488  C   ALA A  64       8.871  12.955  -0.280  1.00 98.77           C
+ATOM    489  O   ALA A  64       8.931  12.194   0.688  1.00 98.37           O
+ATOM    490  CB  ALA A  64      10.588  14.748  -0.075  1.00 97.84           C
+ATOM    491  N   CYS A  65       8.613  12.533  -1.512  1.00 98.78           N
+ATOM    492  CA  CYS A  65       8.431  11.115  -1.804  1.00 98.73           C
+ATOM    493  C   CYS A  65       9.800  10.455  -1.912  1.00 98.67           C
+ATOM    494  O   CYS A  65      10.811  11.136  -2.102  1.00 98.27           O
+ATOM    495  CB  CYS A  65       7.696  10.933  -3.134  1.00 98.70           C
+ATOM    496  SG  CYS A  65       6.066  11.710  -3.279  1.00 98.55           S
+ATOM    497  N   LYS A  66       9.841   9.137  -1.819  1.00 98.61           N
+ATOM    498  CA  LYS A  66      11.098   8.412  -1.937  1.00 98.43           C
+ATOM    499  C   LYS A  66      11.759   8.653  -3.292  1.00 98.36           C
+ATOM    500  O   LYS A  66      12.980   8.654  -3.391  1.00 97.43           O
+ATOM    501  CB  LYS A  66      10.874   6.909  -1.741  1.00 97.73           C
+ATOM    502  CG  LYS A  66      10.545   6.505  -0.312  1.00 94.05           C
+ATOM    503  CD  LYS A  66      10.347   4.996  -0.197  1.00 92.54           C
+ATOM    504  CE  LYS A  66      10.107   4.568   1.241  1.00 86.95           C
+ATOM    505  NZ  LYS A  66       9.870   3.103   1.346  1.00 81.08           N
+ATOM    506  N   ASN A  67      10.952   8.855  -4.326  1.00 98.33           N
+ATOM    507  CA  ASN A  67      11.484   9.076  -5.667  1.00 98.14           C
+ATOM    508  C   ASN A  67      11.878  10.526  -5.941  1.00 98.22           C
+ATOM    509  O   ASN A  67      12.281  10.862  -7.055  1.00 97.46           O
+ATOM    510  CB  ASN A  67      10.485   8.603  -6.727  1.00 97.54           C
+ATOM    511  CG  ASN A  67       9.231   9.457  -6.793  1.00 95.83           C
+ATOM    512  OD1 ASN A  67       9.062  10.408  -6.035  1.00 93.35           O
+ATOM    513  ND2 ASN A  67       8.344   9.115  -7.709  1.00 91.50           N
+ATOM    514  N   GLY A  68      11.760  11.377  -4.927  1.00 97.64           N
+ATOM    515  CA  GLY A  68      12.140  12.770  -5.098  1.00 97.40           C
+ATOM    516  C   GLY A  68      11.024  13.739  -5.444  1.00 97.93           C
+ATOM    517  O   GLY A  68      11.206  14.953  -5.360  1.00 96.75           O
+ATOM    518  N   GLN A  69       9.866  13.211  -5.832  1.00 98.41           N
+ATOM    519  CA  GLN A  69       8.745  14.081  -6.163  1.00 98.47           C
+ATOM    520  C   GLN A  69       8.208  14.710  -4.876  1.00 98.68           C
+ATOM    521  O   GLN A  69       8.511  14.253  -3.777  1.00 98.35           O
+ATOM    522  CB  GLN A  69       7.650  13.295  -6.890  1.00 97.85           C
+ATOM    523  CG  GLN A  69       8.073  12.819  -8.274  1.00 93.79           C
+ATOM    524  CD  GLN A  69       6.932  12.210  -9.076  1.00 85.66           C
+ATOM    525  OE1 GLN A  69       6.998  11.054  -9.473  1.00 76.25           O
+ATOM    526  NE2 GLN A  69       5.904  13.003  -9.335  1.00 73.09           N
+ATOM    527  N   THR A  70       7.408  15.766  -5.026  1.00 98.50           N
+ATOM    528  CA  THR A  70       6.902  16.496  -3.872  1.00 98.51           C
+ATOM    529  C   THR A  70       5.424  16.316  -3.565  1.00 98.79           C
+ATOM    530  O   THR A  70       4.877  17.019  -2.707  1.00 98.24           O
+ATOM    531  CB  THR A  70       7.172  18.006  -4.040  1.00 97.47           C
+ATOM    532  OG1 THR A  70       6.480  18.474  -5.205  1.00 93.07           O
+ATOM    533  CG2 THR A  70       8.662  18.270  -4.223  1.00 91.29           C
+ATOM    534  N   ASN A  71       4.774  15.378  -4.246  1.00 98.73           N
+ATOM    535  CA  ASN A  71       3.346  15.165  -4.041  1.00 98.87           C
+ATOM    536  C   ASN A  71       2.990  14.056  -3.056  1.00 98.98           C
+ATOM    537  O   ASN A  71       1.982  13.360  -3.230  1.00 98.86           O
+ATOM    538  CB  ASN A  71       2.668  14.894  -5.386  1.00 98.56           C
+ATOM    539  CG  ASN A  71       3.143  13.613  -6.030  1.00 98.35           C
+ATOM    540  OD1 ASN A  71       4.333  13.307  -6.027  1.00 96.09           O
+ATOM    541  ND2 ASN A  71       2.212  12.861  -6.609  1.00 95.31           N
+ATOM    542  N   CYS A  72       3.802  13.903  -2.004  1.00 98.87           N
+ATOM    543  CA  CYS A  72       3.523  12.896  -0.989  1.00 98.96           C
+ATOM    544  C   CYS A  72       3.025  13.560   0.292  1.00 98.90           C
+ATOM    545  O   CYS A  72       3.375  14.705   0.597  1.00 98.88           O
+ATOM    546  CB  CYS A  72       4.757  12.042  -0.707  1.00 98.91           C
+ATOM    547  SG  CYS A  72       5.005  10.724  -1.930  1.00 98.81           S
+ATOM    548  N   TYR A  73       2.197  12.829   1.029  1.00 98.96           N
+ATOM    549  CA  TYR A  73       1.604  13.354   2.250  1.00 98.97           C
+ATOM    550  C   TYR A  73       1.628  12.311   3.356  1.00 98.93           C
+ATOM    551  O   TYR A  73       1.344  11.140   3.130  1.00 98.93           O
+ATOM    552  CB  TYR A  73       0.165  13.805   1.984  1.00 98.95           C
+ATOM    553  CG  TYR A  73       0.088  14.857   0.895  1.00 98.93           C
+ATOM    554  CD1 TYR A  73       0.117  14.487  -0.451  1.00 98.83           C
+ATOM    555  CD2 TYR A  73       0.076  16.206   1.212  1.00 98.84           C
+ATOM    556  CE1 TYR A  73       0.149  15.454  -1.457  1.00 98.69           C
+ATOM    557  CE2 TYR A  73       0.101  17.182   0.223  1.00 98.71           C
+ATOM    558  CZ  TYR A  73       0.143  16.800  -1.112  1.00 98.67           C
+ATOM    559  OH  TYR A  73       0.192  17.753  -2.090  1.00 98.22           O
+ATOM    560  N   GLN A  74       1.982  12.765   4.567  1.00 98.99           N
+ATOM    561  CA  GLN A  74       2.046  11.893   5.728  1.00 98.91           C
+ATOM    562  C   GLN A  74       0.837  12.161   6.614  1.00 98.95           C
+ATOM    563  O   GLN A  74       0.490  13.312   6.880  1.00 98.92           O
+ATOM    564  CB  GLN A  74       3.334  12.159   6.514  1.00 98.89           C
+ATOM    565  CG  GLN A  74       3.500  11.294   7.749  1.00 98.57           C
+ATOM    566  CD  GLN A  74       4.823  11.543   8.445  1.00 98.22           C
+ATOM    567  OE1 GLN A  74       5.884  11.518   7.812  1.00 93.94           O
+ATOM    568  NE2 GLN A  74       4.774  11.786   9.744  1.00 92.60           N
+ATOM    569  N   SER A  75       0.188  11.096   7.072  1.00 98.97           N
+ATOM    570  CA  SER A  75      -0.980  11.237   7.927  1.00 98.92           C
+ATOM    571  C   SER A  75      -0.583  11.838   9.275  1.00 98.98           C
+ATOM    572  O   SER A  75       0.457  11.496   9.833  1.00 98.93           O
+ATOM    573  CB  SER A  75      -1.656   9.882   8.147  1.00 98.95           C
+ATOM    574  OG  SER A  75      -0.787   8.971   8.797  1.00 98.86           O
+ATOM    575  N   TYR A  76      -1.408  12.746   9.786  1.00 98.96           N
+ATOM    576  CA  TYR A  76      -1.130  13.374  11.072  1.00 98.84           C
+ATOM    577  C   TYR A  76      -1.256  12.341  12.193  1.00 98.81           C
+ATOM    578  O   TYR A  76      -0.491  12.364  13.161  1.00 98.63           O
+ATOM    579  CB  TYR A  76      -2.117  14.516  11.340  1.00 98.74           C
+ATOM    580  CG  TYR A  76      -1.934  15.730  10.456  1.00 98.21           C
+ATOM    581  CD1 TYR A  76      -0.667  16.253  10.203  1.00 97.05           C
+ATOM    582  CD2 TYR A  76      -3.034  16.390   9.896  1.00 97.13           C
+ATOM    583  CE1 TYR A  76      -0.493  17.390   9.416  1.00 96.43           C
+ATOM    584  CE2 TYR A  76      -2.877  17.525   9.116  1.00 96.19           C
+ATOM    585  CZ  TYR A  76      -1.614  18.021   8.885  1.00 96.28           C
+ATOM    586  OH  TYR A  76      -1.453  19.154   8.103  1.00 94.38           O
+ATOM    587  N   SER A  77      -2.205  11.428  12.059  1.00 98.89           N
+ATOM    588  CA  SER A  77      -2.430  10.386  13.059  1.00 98.78           C
+ATOM    589  C   SER A  77      -1.953   9.029  12.558  1.00 98.89           C
+ATOM    590  O   SER A  77      -1.852   8.797  11.355  1.00 98.78           O
+ATOM    591  CB  SER A  77      -3.917  10.294  13.383  1.00 97.94           C
+ATOM    592  OG  SER A  77      -4.415  11.514  13.898  1.00 86.67           O
+ATOM    593  N   THR A  78      -1.650   8.137  13.501  1.00 98.94           N
+ATOM    594  CA  THR A  78      -1.224   6.802  13.120  1.00 98.93           C
+ATOM    595  C   THR A  78      -2.472   6.067  12.630  1.00 98.96           C
+ATOM    596  O   THR A  78      -3.597   6.401  13.021  1.00 98.80           O
+ATOM    597  CB  THR A  78      -0.626   6.019  14.309  1.00 98.67           C
+ATOM    598  OG1 THR A  78      -1.594   5.952  15.366  1.00 95.36           O
+ATOM    599  CG2 THR A  78       0.634   6.706  14.813  1.00 95.09           C
+ATOM    600  N   MET A  79      -2.266   5.078  11.779  1.00 98.93           N
+ATOM    601  CA  MET A  79      -3.370   4.298  11.237  1.00 98.95           C
+ATOM    602  C   MET A  79      -3.061   2.817  11.394  1.00 98.92           C
+ATOM    603  O   MET A  79      -1.897   2.420  11.460  1.00 98.82           O
+ATOM    604  CB  MET A  79      -3.588   4.622   9.758  1.00 98.90           C
+ATOM    605  CG  MET A  79      -4.005   6.057   9.495  1.00 98.66           C
+ATOM    606  SD  MET A  79      -4.418   6.329   7.758  1.00 98.54           S
+ATOM    607  CE  MET A  79      -5.336   7.869   7.872  1.00 97.00           C
+ATOM    608  N   SER A  80      -4.111   2.009  11.460  1.00 98.78           N
+ATOM    609  CA  SER A  80      -3.939   0.569  11.584  1.00 98.83           C
+ATOM    610  C   SER A  80      -3.557   0.049  10.205  1.00 98.85           C
+ATOM    611  O   SER A  80      -4.278   0.265   9.231  1.00 98.84           O
+ATOM    612  CB  SER A  80      -5.251  -0.073  12.036  1.00 98.71           C
+ATOM    613  OG  SER A  80      -5.134  -1.485  12.094  1.00 98.28           O
+ATOM    614  N   ILE A  81      -2.412  -0.618  10.118  1.00 98.78           N
+ATOM    615  CA  ILE A  81      -1.952  -1.149   8.838  1.00 98.76           C
+ATOM    616  C   ILE A  81      -1.382  -2.552   8.998  1.00 98.72           C
+ATOM    617  O   ILE A  81      -1.035  -2.977  10.099  1.00 98.67           O
+ATOM    618  CB  ILE A  81      -0.839  -0.272   8.223  1.00 98.83           C
+ATOM    619  CG1 ILE A  81       0.409  -0.304   9.105  1.00 98.70           C
+ATOM    620  CG2 ILE A  81      -1.336   1.160   8.037  1.00 98.45           C
+ATOM    621  CD1 ILE A  81       1.626   0.378   8.485  1.00 98.49           C
+ATOM    622  N   THR A  82      -1.303  -3.269   7.881  1.00 98.80           N
+ATOM    623  CA  THR A  82      -0.729  -4.597   7.873  1.00 98.86           C
+ATOM    624  C   THR A  82       0.304  -4.642   6.757  1.00 98.89           C
+ATOM    625  O   THR A  82      -0.025  -4.394   5.593  1.00 98.84           O
+ATOM    626  CB  THR A  82      -1.779  -5.691   7.605  1.00 98.83           C
+ATOM    627  OG1 THR A  82      -2.758  -5.687   8.650  1.00 98.43           O
+ATOM    628  CG2 THR A  82      -1.105  -7.066   7.568  1.00 98.61           C
+ATOM    629  N   ASP A  83       1.555  -4.945   7.115  1.00 98.80           N
+ATOM    630  CA  ASP A  83       2.613  -5.055   6.124  1.00 98.80           C
+ATOM    631  C   ASP A  83       2.736  -6.513   5.715  1.00 98.85           C
+ATOM    632  O   ASP A  83       2.736  -7.411   6.563  1.00 98.79           O
+ATOM    633  CB  ASP A  83       3.955  -4.576   6.688  1.00 98.62           C
+ATOM    634  CG  ASP A  83       4.022  -3.072   6.852  1.00 96.37           C
+ATOM    635  OD1 ASP A  83       3.553  -2.350   5.946  1.00 93.58           O
+ATOM    636  OD2 ASP A  83       4.561  -2.608   7.875  1.00 92.86           O
+ATOM    637  N   CYS A  84       2.826  -6.745   4.409  1.00 98.82           N
+ATOM    638  CA  CYS A  84       2.981  -8.082   3.879  1.00 98.86           C
+ATOM    639  C   CYS A  84       4.341  -8.144   3.187  1.00 98.88           C
+ATOM    640  O   CYS A  84       4.625  -7.345   2.298  1.00 98.73           O
+ATOM    641  CB  CYS A  84       1.873  -8.384   2.864  1.00 98.90           C
+ATOM    642  SG  CYS A  84       0.199  -8.406   3.563  1.00 98.88           S
+ATOM    643  N   ARG A  85       5.180  -9.088   3.623  1.00 98.88           N
+ATOM    644  CA  ARG A  85       6.503  -9.226   3.032  1.00 98.74           C
+ATOM    645  C   ARG A  85       6.735 -10.681   2.629  1.00 98.77           C
+ATOM    646  O   ARG A  85       6.572 -11.596   3.432  1.00 98.63           O
+ATOM    647  CB  ARG A  85       7.580  -8.779   4.024  1.00 98.43           C
+ATOM    648  CG  ARG A  85       9.003  -8.891   3.490  1.00 87.26           C
+ATOM    649  CD  ARG A  85       9.999  -8.263   4.444  1.00 81.26           C
+ATOM    650  NE  ARG A  85       9.909  -6.804   4.463  1.00 71.67           N
+ATOM    651  CZ  ARG A  85      10.420  -6.009   3.539  1.00 63.27           C
+ATOM    652  NH1 ARG A  85      11.097  -6.511   2.512  1.00 56.00           N
+ATOM    653  NH2 ARG A  85      10.271  -4.692   3.628  1.00 58.40           N
+ATOM    654  N   GLU A  86       7.120 -10.871   1.378  1.00 98.80           N
+ATOM    655  CA  GLU A  86       7.373 -12.209   0.851  1.00 98.74           C
+ATOM    656  C   GLU A  86       8.479 -12.886   1.663  1.00 98.75           C
+ATOM    657  O   GLU A  86       9.490 -12.272   1.980  1.00 98.48           O
+ATOM    658  CB  GLU A  86       7.769 -12.109  -0.627  1.00 98.54           C
+ATOM    659  CG  GLU A  86       7.845 -13.447  -1.337  1.00 97.20           C
+ATOM    660  CD  GLU A  86       8.152 -13.306  -2.820  1.00 97.26           C
+ATOM    661  OE1 GLU A  86       8.615 -12.223  -3.245  1.00 94.96           O
+ATOM    662  OE2 GLU A  86       7.937 -14.289  -3.565  1.00 95.27           O
+ATOM    663  N   THR A  87       8.269 -14.165   1.993  1.00 98.79           N
+ATOM    664  CA  THR A  87       9.254 -14.915   2.770  1.00 98.62           C
+ATOM    665  C   THR A  87      10.394 -15.389   1.876  1.00 98.53           C
+ATOM    666  O   THR A  87      10.303 -15.352   0.651  1.00 97.51           O
+ATOM    667  CB  THR A  87       8.619 -16.150   3.439  1.00 98.03           C
+ATOM    668  OG1 THR A  87       8.169 -17.061   2.424  1.00 93.15           O
+ATOM    669  CG2 THR A  87       7.440 -15.736   4.311  1.00 93.33           C
+ATOM    670  N   GLY A  88      11.476 -15.853   2.507  1.00 97.20           N
+ATOM    671  CA  GLY A  88      12.632 -16.314   1.759  1.00 96.53           C
+ATOM    672  C   GLY A  88      12.397 -17.566   0.936  1.00 96.79           C
+ATOM    673  O   GLY A  88      13.048 -17.765  -0.090  1.00 94.36           O
+ATOM    674  N   SER A  89      11.450 -18.396   1.370  1.00 96.51           N
+ATOM    675  CA  SER A  89      11.156 -19.636   0.652  1.00 96.01           C
+ATOM    676  C   SER A  89      10.030 -19.475  -0.365  1.00 96.69           C
+ATOM    677  O   SER A  89       9.729 -20.402  -1.113  1.00 94.54           O
+ATOM    678  CB  SER A  89      10.784 -20.741   1.644  1.00 93.80           C
+ATOM    679  OG  SER A  89       9.647 -20.384   2.397  1.00 86.88           O
+ATOM    680  N   SER A  90       9.416 -18.295  -0.404  1.00 98.14           N
+ATOM    681  CA  SER A  90       8.332 -18.029  -1.329  1.00 98.36           C
+ATOM    682  C   SER A  90       8.817 -18.134  -2.771  1.00 98.29           C
+ATOM    683  O   SER A  90       9.893 -17.642  -3.108  1.00 97.43           O
+ATOM    684  CB  SER A  90       7.780 -16.625  -1.095  1.00 98.26           C
+ATOM    685  OG  SER A  90       6.744 -16.320  -2.013  1.00 97.98           O
+ATOM    686  N   LYS A  91       8.014 -18.775  -3.612  1.00 98.14           N
+ATOM    687  CA  LYS A  91       8.372 -18.911  -5.020  1.00 97.81           C
+ATOM    688  C   LYS A  91       7.121 -19.038  -5.874  1.00 98.02           C
+ATOM    689  O   LYS A  91       6.321 -19.953  -5.704  1.00 96.97           O
+ATOM    690  CB  LYS A  91       9.278 -20.129  -5.215  1.00 96.27           C
+ATOM    691  CG  LYS A  91       9.883 -20.220  -6.599  1.00 84.66           C
+ATOM    692  CD  LYS A  91      10.948 -21.297  -6.668  1.00 79.47           C
+ATOM    693  CE  LYS A  91      11.645 -21.304  -8.012  1.00 69.09           C
+ATOM    694  NZ  LYS A  91      12.750 -22.304  -8.066  1.00 60.04           N
+ATOM    695  N   TYR A  92       6.966 -18.105  -6.809  1.00 98.11           N
+ATOM    696  CA  TYR A  92       5.821 -18.083  -7.707  1.00 98.07           C
+ATOM    697  C   TYR A  92       5.696 -19.437  -8.392  1.00 97.64           C
+ATOM    698  O   TYR A  92       6.706 -20.012  -8.800  1.00 96.79           O
+ATOM    699  CB  TYR A  92       6.035 -16.984  -8.750  1.00 97.85           C
+ATOM    700  CG  TYR A  92       4.907 -16.865  -9.739  1.00 97.88           C
+ATOM    701  CD1 TYR A  92       3.746 -16.166  -9.416  1.00 97.54           C
+ATOM    702  CD2 TYR A  92       4.977 -17.477 -10.995  1.00 97.50           C
+ATOM    703  CE1 TYR A  92       2.692 -16.076 -10.317  1.00 97.04           C
+ATOM    704  CE2 TYR A  92       3.925 -17.400 -11.895  1.00 97.00           C
+ATOM    705  CZ  TYR A  92       2.789 -16.701 -11.549  1.00 96.94           C
+ATOM    706  OH  TYR A  92       1.744 -16.624 -12.434  1.00 95.70           O
+ATOM    707  N   PRO A  93       4.479 -19.943  -8.538  1.00 97.22           N
+ATOM    708  CA  PRO A  93       3.179 -19.356  -8.179  1.00 96.82           C
+ATOM    709  C   PRO A  93       2.743 -19.568  -6.737  1.00 97.07           C
+ATOM    710  O   PRO A  93       1.646 -19.164  -6.352  1.00 96.21           O
+ATOM    711  CB  PRO A  93       2.229 -20.033  -9.159  1.00 96.11           C
+ATOM    712  CG  PRO A  93       2.780 -21.425  -9.206  1.00 95.06           C
+ATOM    713  CD  PRO A  93       4.275 -21.180  -9.318  1.00 96.70           C
+ATOM    714  N   ASN A  94       3.586 -20.210  -5.929  1.00 96.99           N
+ATOM    715  CA  ASN A  94       3.263 -20.436  -4.528  1.00 96.86           C
+ATOM    716  C   ASN A  94       3.835 -19.323  -3.650  1.00 97.51           C
+ATOM    717  O   ASN A  94       4.762 -19.535  -2.868  1.00 96.79           O
+ATOM    718  CB  ASN A  94       3.801 -21.801  -4.082  1.00 95.06           C
+ATOM    719  CG  ASN A  94       3.195 -22.941  -4.870  1.00 86.75           C
+ATOM    720  OD1 ASN A  94       1.972 -23.097  -4.913  1.00 79.23           O
+ATOM    721  ND2 ASN A  94       4.035 -23.740  -5.511  1.00 76.24           N
+ATOM    722  N   CYS A  95       3.264 -18.122  -3.793  1.00 98.08           N
+ATOM    723  CA  CYS A  95       3.718 -16.968  -3.035  1.00 98.40           C
+ATOM    724  C   CYS A  95       3.379 -17.114  -1.556  1.00 98.45           C
+ATOM    725  O   CYS A  95       2.261 -17.484  -1.205  1.00 98.08           O
+ATOM    726  CB  CYS A  95       3.065 -15.701  -3.588  1.00 98.56           C
+ATOM    727  SG  CYS A  95       3.254 -15.459  -5.378  1.00 98.54           S
+ATOM    728  N   ALA A  96       4.361 -16.809  -0.698  1.00 98.77           N
+ATOM    729  CA  ALA A  96       4.173 -16.913   0.741  1.00 98.71           C
+ATOM    730  C   ALA A  96       4.581 -15.598   1.396  1.00 98.76           C
+ATOM    731  O   ALA A  96       5.595 -15.001   1.020  1.00 98.63           O
+ATOM    732  CB  ALA A  96       4.997 -18.066   1.304  1.00 98.36           C
+ATOM    733  N   TYR A  97       3.793 -15.144   2.370  1.00 98.71           N
+ATOM    734  CA  TYR A  97       4.040 -13.868   3.023  1.00 98.88           C
+ATOM    735  C   TYR A  97       4.022 -13.901   4.538  1.00 98.73           C
+ATOM    736  O   TYR A  97       3.331 -14.720   5.151  1.00 98.63           O
+ATOM    737  CB  TYR A  97       2.995 -12.849   2.578  1.00 98.86           C
+ATOM    738  CG  TYR A  97       3.066 -12.500   1.113  1.00 98.90           C
+ATOM    739  CD1 TYR A  97       3.893 -11.475   0.668  1.00 98.84           C
+ATOM    740  CD2 TYR A  97       2.327 -13.211   0.177  1.00 98.86           C
+ATOM    741  CE1 TYR A  97       3.988 -11.164  -0.677  1.00 98.83           C
+ATOM    742  CE2 TYR A  97       2.415 -12.912  -1.181  1.00 98.83           C
+ATOM    743  CZ  TYR A  97       3.252 -11.886  -1.598  1.00 98.85           C
+ATOM    744  OH  TYR A  97       3.356 -11.582  -2.936  1.00 98.76           O
+ATOM    745  N   LYS A  98       4.779 -12.984   5.128  1.00 98.72           N
+ATOM    746  CA  LYS A  98       4.786 -12.822   6.570  1.00 98.60           C
+ATOM    747  C   LYS A  98       3.855 -11.647   6.833  1.00 98.75           C
+ATOM    748  O   LYS A  98       3.934 -10.620   6.149  1.00 98.69           O
+ATOM    749  CB  LYS A  98       6.194 -12.489   7.087  1.00 98.42           C
+ATOM    750  CG  LYS A  98       6.213 -12.080   8.551  1.00 96.08           C
+ATOM    751  CD  LYS A  98       7.634 -11.937   9.085  1.00 91.99           C
+ATOM    752  CE  LYS A  98       7.636 -11.319  10.481  1.00 83.64           C
+ATOM    753  NZ  LYS A  98       6.665 -11.965  11.404  1.00 75.03           N
+ATOM    754  N   THR A  99       2.963 -11.804   7.800  1.00 98.63           N
+ATOM    755  CA  THR A  99       1.997 -10.765   8.155  1.00 98.75           C
+ATOM    756  C   THR A  99       2.456 -10.004   9.393  1.00 98.67           C
+ATOM    757  O   THR A  99       2.761 -10.610  10.417  1.00 98.39           O
+ATOM    758  CB  THR A  99       0.619 -11.393   8.434  1.00 98.67           C
+ATOM    759  OG1 THR A  99       0.096 -11.978   7.232  1.00 98.31           O
+ATOM    760  CG2 THR A  99      -0.364 -10.351   8.956  1.00 98.29           C
+ATOM    761  N   THR A 100       2.515  -8.668   9.298  1.00 98.60           N
+ATOM    762  CA  THR A 100       2.921  -7.842  10.422  1.00 98.58           C
+ATOM    763  C   THR A 100       1.939  -6.692  10.614  1.00 98.61           C
+ATOM    764  O   THR A 100       1.845  -5.799   9.775  1.00 98.53           O
+ATOM    765  CB  THR A 100       4.332  -7.262  10.210  1.00 98.38           C
+ATOM    766  OG1 THR A 100       5.271  -8.329  10.010  1.00 97.00           O
+ATOM    767  CG2 THR A 100       4.754  -6.453  11.430  1.00 96.87           C
+ATOM    768  N   GLN A 101       1.201  -6.716  11.722  1.00 98.37           N
+ATOM    769  CA  GLN A 101       0.228  -5.675  12.040  1.00 98.22           C
+ATOM    770  C   GLN A 101       0.924  -4.561  12.803  1.00 98.16           C
+ATOM    771  O   GLN A 101       1.792  -4.806  13.634  1.00 97.83           O
+ATOM    772  CB  GLN A 101      -0.888  -6.279  12.901  1.00 97.76           C
+ATOM    773  CG  GLN A 101      -1.897  -5.269  13.473  1.00 94.29           C
+ATOM    774  CD  GLN A 101      -2.693  -4.573  12.389  1.00 94.71           C
+ATOM    775  OE1 GLN A 101      -3.086  -5.176  11.385  1.00 89.82           O
+ATOM    776  NE2 GLN A 101      -2.958  -3.287  12.595  1.00 87.47           N
+ATOM    777  N   ALA A 102       0.555  -3.325  12.511  1.00 98.49           N
+ATOM    778  CA  ALA A 102       1.165  -2.179  13.179  1.00 98.33           C
+ATOM    779  C   ALA A 102       0.260  -0.954  13.148  1.00 98.65           C
+ATOM    780  O   ALA A 102      -0.739  -0.929  12.433  1.00 98.51           O
+ATOM    781  CB  ALA A 102       2.499  -1.842  12.530  1.00 97.82           C
+ATOM    782  N   ASN A 103       0.629   0.049  13.935  1.00 98.62           N
+ATOM    783  CA  ASN A 103      -0.083   1.316  13.964  1.00 98.61           C
+ATOM    784  C   ASN A 103       0.985   2.355  13.676  1.00 98.70           C
+ATOM    785  O   ASN A 103       1.829   2.649  14.520  1.00 98.61           O
+ATOM    786  CB  ASN A 103      -0.718   1.551  15.344  1.00 98.27           C
+ATOM    787  CG  ASN A 103      -1.998   0.770  15.528  1.00 91.44           C
+ATOM    788  OD1 ASN A 103      -3.042   1.123  14.986  1.00 81.19           O
+ATOM    789  ND2 ASN A 103      -1.922  -0.309  16.297  1.00 78.04           N
+ATOM    790  N   LYS A 104       0.968   2.901  12.467  1.00 98.93           N
+ATOM    791  CA  LYS A 104       1.987   3.859  12.044  1.00 98.94           C
+ATOM    792  C   LYS A 104       1.385   4.942  11.155  1.00 98.92           C
+ATOM    793  O   LYS A 104       0.263   4.820  10.676  1.00 98.91           O
+ATOM    794  CB  LYS A 104       3.092   3.127  11.272  1.00 98.77           C
+ATOM    795  CG  LYS A 104       3.745   1.983  12.033  1.00 97.58           C
+ATOM    796  CD  LYS A 104       4.705   1.189  11.145  1.00 94.39           C
+ATOM    797  CE  LYS A 104       5.993   1.949  10.860  1.00 88.96           C
+ATOM    798  NZ  LYS A 104       6.797   2.158  12.088  1.00 80.31           N
+ATOM    799  N   HIS A 105       2.152   6.004  10.948  1.00 98.98           N
+ATOM    800  CA  HIS A 105       1.714   7.075  10.066  1.00 98.92           C
+ATOM    801  C   HIS A 105       1.953   6.546   8.660  1.00 98.92           C
+ATOM    802  O   HIS A 105       2.937   5.852   8.410  1.00 98.90           O
+ATOM    803  CB  HIS A 105       2.577   8.324  10.276  1.00 98.93           C
+ATOM    804  CG  HIS A 105       2.475   8.915  11.642  1.00 98.86           C
+ATOM    805  ND1 HIS A 105       1.484   9.820  11.984  1.00 95.43           N
+ATOM    806  CD2 HIS A 105       3.223   8.745  12.749  1.00 95.18           C
+ATOM    807  CE1 HIS A 105       1.638  10.174  13.252  1.00 94.98           C
+ATOM    808  NE2 HIS A 105       2.684   9.540  13.739  1.00 96.28           N
+ATOM    809  N   ILE A 106       1.052   6.871   7.729  1.00 98.90           N
+ATOM    810  CA  ILE A 106       1.243   6.412   6.358  1.00 98.98           C
+ATOM    811  C   ILE A 106       1.635   7.595   5.480  1.00 98.96           C
+ATOM    812  O   ILE A 106       1.301   8.745   5.782  1.00 98.97           O
+ATOM    813  CB  ILE A 106      -0.030   5.756   5.774  1.00 98.96           C
+ATOM    814  CG1 ILE A 106      -1.164   6.773   5.655  1.00 98.81           C
+ATOM    815  CG2 ILE A 106      -0.455   4.575   6.648  1.00 98.45           C
+ATOM    816  CD1 ILE A 106      -2.378   6.261   4.886  1.00 98.76           C
+ATOM    817  N   ILE A 107       2.352   7.305   4.402  1.00 98.95           N
+ATOM    818  CA  ILE A 107       2.764   8.326   3.453  1.00 98.95           C
+ATOM    819  C   ILE A 107       2.285   7.864   2.087  1.00 98.98           C
+ATOM    820  O   ILE A 107       2.638   6.774   1.632  1.00 98.96           O
+ATOM    821  CB  ILE A 107       4.297   8.504   3.436  1.00 98.96           C
+ATOM    822  CG1 ILE A 107       4.784   8.967   4.816  1.00 98.80           C
+ATOM    823  CG2 ILE A 107       4.692   9.521   2.365  1.00 98.86           C
+ATOM    824  CD1 ILE A 107       6.294   9.099   4.935  1.00 98.06           C
+ATOM    825  N   VAL A 108       1.464   8.694   1.445  1.00 98.94           N
+ATOM    826  CA  VAL A 108       0.930   8.349   0.132  1.00 98.92           C
+ATOM    827  C   VAL A 108       1.169   9.469  -0.870  1.00 98.95           C
+ATOM    828  O   VAL A 108       1.291  10.636  -0.492  1.00 98.95           O
+ATOM    829  CB  VAL A 108      -0.597   8.090   0.193  1.00 98.96           C
+ATOM    830  CG1 VAL A 108      -0.890   6.897   1.101  1.00 98.82           C
+ATOM    831  CG2 VAL A 108      -1.328   9.332   0.708  1.00 98.78           C
+ATOM    832  N   ALA A 109       1.256   9.109  -2.149  1.00 98.98           N
+ATOM    833  CA  ALA A 109       1.428  10.099  -3.201  1.00 98.98           C
+ATOM    834  C   ALA A 109       0.021  10.358  -3.737  1.00 98.95           C
+ATOM    835  O   ALA A 109      -0.757   9.419  -3.901  1.00 98.96           O
+ATOM    836  CB  ALA A 109       2.318   9.553  -4.317  1.00 98.91           C
+ATOM    837  N   CYS A 110      -0.298  11.613  -3.997  1.00 98.96           N
+ATOM    838  CA  CYS A 110      -1.620  11.968  -4.486  1.00 98.94           C
+ATOM    839  C   CYS A 110      -1.567  12.674  -5.831  1.00 98.85           C
+ATOM    840  O   CYS A 110      -0.610  13.395  -6.135  1.00 98.70           O
+ATOM    841  CB  CYS A 110      -2.331  12.867  -3.465  1.00 98.94           C
+ATOM    842  SG  CYS A 110      -2.494  12.110  -1.821  1.00 98.90           S
+ATOM    843  N   GLU A 111      -2.595  12.465  -6.641  1.00 98.88           N
+ATOM    844  CA  GLU A 111      -2.680  13.060  -7.968  1.00 98.81           C
+ATOM    845  C   GLU A 111      -4.127  13.246  -8.393  1.00 98.83           C
+ATOM    846  O   GLU A 111      -5.041  12.669  -7.802  1.00 98.62           O
+ATOM    847  CB  GLU A 111      -2.001  12.158  -9.018  1.00 98.35           C
+ATOM    848  CG  GLU A 111      -0.517  11.950  -8.829  1.00 95.10           C
+ATOM    849  CD  GLU A 111       0.083  11.064  -9.922  1.00 94.07           C
+ATOM    850  OE1 GLU A 111      -0.660  10.634 -10.830  1.00 89.38           O
+ATOM    851  OE2 GLU A 111       1.302  10.799  -9.858  1.00 88.87           O
+ATOM    852  N   GLY A 112      -4.317  14.041  -9.436  1.00 98.43           N
+ATOM    853  CA  GLY A 112      -5.631  14.229 -10.012  1.00 98.33           C
+ATOM    854  C   GLY A 112      -6.564  15.264  -9.426  1.00 98.54           C
+ATOM    855  O   GLY A 112      -6.200  16.024  -8.520  1.00 97.96           O
+ATOM    856  N   ASN A 113      -7.777  15.279  -9.982  1.00 97.50           N
+ATOM    857  CA  ASN A 113      -8.827  16.169  -9.527  1.00 97.55           C
+ATOM    858  C   ASN A 113     -10.114  15.366  -9.655  1.00 97.27           C
+ATOM    859  O   ASN A 113     -10.616  15.161 -10.760  1.00 95.52           O
+ATOM    860  CB  ASN A 113      -8.900  17.419 -10.411  1.00 96.97           C
+ATOM    861  CG  ASN A 113     -10.003  18.364  -9.984  1.00 93.64           C
+ATOM    862  OD1 ASN A 113     -10.377  18.411  -8.814  1.00 88.44           O
+ATOM    863  ND2 ASN A 113     -10.528  19.124 -10.928  1.00 85.81           N
+ATOM    864  N   PRO A 114     -10.646  14.879  -8.526  1.00 97.23           N
+ATOM    865  CA  PRO A 114     -10.184  15.147  -7.160  1.00 97.47           C
+ATOM    866  C   PRO A 114      -8.800  14.587  -6.828  1.00 98.15           C
+ATOM    867  O   PRO A 114      -8.382  13.575  -7.387  1.00 97.60           O
+ATOM    868  CB  PRO A 114     -11.282  14.518  -6.300  1.00 95.96           C
+ATOM    869  CG  PRO A 114     -11.723  13.360  -7.135  1.00 92.80           C
+ATOM    870  CD  PRO A 114     -11.798  13.975  -8.520  1.00 96.03           C
+ATOM    871  N   TYR A 115      -8.114  15.272  -5.918  1.00 98.12           N
+ATOM    872  CA  TYR A 115      -6.767  14.917  -5.484  1.00 98.53           C
+ATOM    873  C   TYR A 115      -6.881  13.723  -4.535  1.00 98.69           C
+ATOM    874  O   TYR A 115      -7.329  13.875  -3.398  1.00 98.43           O
+ATOM    875  CB  TYR A 115      -6.162  16.119  -4.756  1.00 98.34           C
+ATOM    876  CG  TYR A 115      -4.659  16.178  -4.707  1.00 98.45           C
+ATOM    877  CD1 TYR A 115      -3.890  16.050  -5.856  1.00 98.28           C
+ATOM    878  CD2 TYR A 115      -4.004  16.428  -3.502  1.00 98.30           C
+ATOM    879  CE1 TYR A 115      -2.503  16.175  -5.818  1.00 98.06           C
+ATOM    880  CE2 TYR A 115      -2.626  16.560  -3.449  1.00 98.06           C
+ATOM    881  CZ  TYR A 115      -1.876  16.433  -4.602  1.00 98.39           C
+ATOM    882  OH  TYR A 115      -0.508  16.565  -4.552  1.00 98.13           O
+ATOM    883  N   VAL A 116      -6.468  12.543  -5.001  1.00 98.89           N
+ATOM    884  CA  VAL A 116      -6.597  11.332  -4.203  1.00 98.82           C
+ATOM    885  C   VAL A 116      -5.344  10.455  -4.237  1.00 98.95           C
+ATOM    886  O   VAL A 116      -4.486  10.632  -5.103  1.00 98.90           O
+ATOM    887  CB  VAL A 116      -7.800  10.480  -4.693  1.00 98.57           C
+ATOM    888  CG1 VAL A 116      -9.102  11.242  -4.494  1.00 97.43           C
+ATOM    889  CG2 VAL A 116      -7.610  10.122  -6.167  1.00 97.32           C
+ATOM    890  N   PRO A 117      -5.217   9.516  -3.290  1.00 98.94           N
+ATOM    891  CA  PRO A 117      -4.047   8.628  -3.250  1.00 98.97           C
+ATOM    892  C   PRO A 117      -3.948   7.732  -4.482  1.00 98.97           C
+ATOM    893  O   PRO A 117      -4.943   7.173  -4.932  1.00 98.91           O
+ATOM    894  CB  PRO A 117      -4.281   7.807  -1.980  1.00 98.93           C
+ATOM    895  CG  PRO A 117      -5.141   8.697  -1.124  1.00 98.66           C
+ATOM    896  CD  PRO A 117      -6.095   9.275  -2.130  1.00 98.93           C
+ATOM    897  N   VAL A 118      -2.738   7.609  -5.021  1.00 98.97           N
+ATOM    898  CA  VAL A 118      -2.503   6.758  -6.184  1.00 98.96           C
+ATOM    899  C   VAL A 118      -1.286   5.860  -5.973  1.00 98.90           C
+ATOM    900  O   VAL A 118      -0.976   5.006  -6.803  1.00 98.79           O
+ATOM    901  CB  VAL A 118      -2.283   7.597  -7.476  1.00 98.85           C
+ATOM    902  CG1 VAL A 118      -3.550   8.371  -7.815  1.00 98.30           C
+ATOM    903  CG2 VAL A 118      -1.102   8.548  -7.281  1.00 98.44           C
+ATOM    904  N   HIS A 119      -0.592   6.044  -4.852  1.00 98.86           N
+ATOM    905  CA  HIS A 119       0.617   5.279  -4.565  1.00 98.81           C
+ATOM    906  C   HIS A 119       0.895   5.274  -3.064  1.00 98.99           C
+ATOM    907  O   HIS A 119       0.742   6.293  -2.401  1.00 98.83           O
+ATOM    908  CB  HIS A 119       1.792   5.916  -5.305  1.00 98.49           C
+ATOM    909  CG  HIS A 119       3.151   5.508  -4.805  1.00 93.49           C
+ATOM    910  ND1 HIS A 119       3.679   4.254  -5.019  1.00 83.36           N
+ATOM    911  CD2 HIS A 119       4.080   6.198  -4.115  1.00 83.84           C
+ATOM    912  CE1 HIS A 119       4.878   4.180  -4.480  1.00 81.44           C
+ATOM    913  NE2 HIS A 119       5.157   5.353  -3.926  1.00 82.60           N
+ATOM    914  N   PHE A 120       1.284   4.120  -2.530  1.00 98.96           N
+ATOM    915  CA  PHE A 120       1.621   4.007  -1.114  1.00 98.94           C
+ATOM    916  C   PHE A 120       3.141   4.099  -1.036  1.00 98.85           C
+ATOM    917  O   PHE A 120       3.837   3.212  -1.521  1.00 98.64           O
+ATOM    918  CB  PHE A 120       1.124   2.679  -0.535  1.00 98.91           C
+ATOM    919  CG  PHE A 120       1.264   2.591   0.960  1.00 98.93           C
+ATOM    920  CD1 PHE A 120       2.473   2.225   1.541  1.00 98.86           C
+ATOM    921  CD2 PHE A 120       0.199   2.902   1.794  1.00 98.87           C
+ATOM    922  CE1 PHE A 120       2.612   2.183   2.927  1.00 98.78           C
+ATOM    923  CE2 PHE A 120       0.331   2.858   3.177  1.00 98.76           C
+ATOM    924  CZ  PHE A 120       1.541   2.494   3.744  1.00 98.82           C
+ATOM    925  N   ASP A 121       3.647   5.172  -0.454  1.00 98.86           N
+ATOM    926  CA  ASP A 121       5.092   5.403  -0.404  1.00 98.81           C
+ATOM    927  C   ASP A 121       5.805   4.747   0.774  1.00 98.79           C
+ATOM    928  O   ASP A 121       6.862   4.141   0.609  1.00 98.25           O
+ATOM    929  CB  ASP A 121       5.380   6.909  -0.407  1.00 98.82           C
+ATOM    930  CG  ASP A 121       6.735   7.241  -0.991  1.00 98.82           C
+ATOM    931  OD1 ASP A 121       7.022   6.782  -2.114  1.00 98.40           O
+ATOM    932  OD2 ASP A 121       7.514   7.978  -0.332  1.00 98.39           O
+ATOM    933  N   ALA A 122       5.226   4.874   1.973  1.00 98.51           N
+ATOM    934  CA  ALA A 122       5.859   4.302   3.162  1.00 98.61           C
+ATOM    935  C   ALA A 122       5.009   4.463   4.412  1.00 98.75           C
+ATOM    936  O   ALA A 122       3.940   5.079   4.364  1.00 98.63           O
+ATOM    937  CB  ALA A 122       7.210   4.975   3.397  1.00 97.93           C
+ATOM    938  N   SER A 123       5.488   3.890   5.501  1.00 98.62           N
+ATOM    939  CA  SER A 123       4.819   4.019   6.792  1.00 98.64           C
+ATOM    940  C   SER A 123       5.954   4.371   7.762  1.00 98.61           C
+ATOM    941  O   SER A 123       7.065   3.853   7.645  1.00 98.27           O
+ATOM    942  CB  SER A 123       4.143   2.711   7.209  1.00 98.49           C
+ATOM    943  OG  SER A 123       5.081   1.666   7.372  1.00 96.42           O
+ATOM    944  N   VAL A 124       5.689   5.278   8.697  1.00 98.47           N
+ATOM    945  CA  VAL A 124       6.712   5.704   9.651  1.00 98.29           C
+ATOM    946  C   VAL A 124       6.158   5.879  11.057  1.00 97.33           C
+ATOM    947  O   VAL A 124       4.938   5.955  11.235  1.00 92.72           O
+ATOM    948  CB  VAL A 124       7.357   7.044   9.207  1.00 97.37           C
+ATOM    949  CG1 VAL A 124       8.080   6.860   7.889  1.00 92.38           C
+ATOM    950  CG2 VAL A 124       6.293   8.117   9.088  1.00 92.74           C
+ATOM    951  OXT VAL A 124       6.959   5.955  12.013  1.00 90.96           O
+TER
+END

weight/datasets/alphafold3pdb/1ewyC.pdb

@@ -0,0 +1,753 @@
+PARENT N/A
+ATOM      1  N   ALA A   1       1.045   3.106  16.676  1.00 93.14           N
+ATOM      2  CA  ALA A   1       2.275   3.787  16.246  1.00 97.58           C
+ATOM      3  C   ALA A   1       1.992   4.475  14.918  1.00 98.44           C
+ATOM      4  O   ALA A   1       0.965   4.200  14.304  1.00 98.10           O
+ATOM      5  CB  ALA A   1       3.434   2.781  16.158  1.00 95.54           C
+ATOM      6  N   THR A   2       2.871   5.374  14.477  1.00 98.52           N
+ATOM      7  CA  THR A   2       2.792   5.970  13.140  1.00 98.78           C
+ATOM      8  C   THR A   2       4.076   5.607  12.397  1.00 98.81           C
+ATOM      9  O   THR A   2       5.165   5.800  12.942  1.00 98.73           O
+ATOM     10  CB  THR A   2       2.627   7.493  13.207  1.00 98.51           C
+ATOM     11  OG1 THR A   2       1.495   7.809  13.966  1.00 94.81           O
+ATOM     12  CG2 THR A   2       2.444   8.126  11.830  1.00 95.44           C
+ATOM     13  N   PHE A   3       3.938   5.070  11.186  1.00 98.97           N
+ATOM     14  CA  PHE A   3       5.046   4.634  10.355  1.00 98.91           C
+ATOM     15  C   PHE A   3       5.225   5.548   9.147  1.00 98.96           C
+ATOM     16  O   PHE A   3       4.266   6.078   8.595  1.00 98.90           O
+ATOM     17  CB  PHE A   3       4.826   3.186   9.918  1.00 98.95           C
+ATOM     18  CG  PHE A   3       4.798   2.218  11.072  1.00 98.96           C
+ATOM     19  CD1 PHE A   3       5.963   1.984  11.827  1.00 98.86           C
+ATOM     20  CD2 PHE A   3       3.611   1.531  11.398  1.00 98.87           C
+ATOM     21  CE1 PHE A   3       5.949   1.067  12.895  1.00 98.80           C
+ATOM     22  CE2 PHE A   3       3.598   0.617  12.454  1.00 98.80           C
+ATOM     23  CZ  PHE A   3       4.766   0.379  13.203  1.00 98.83           C
+ATOM     24  N   LYS A   4       6.469   5.702   8.721  1.00 98.96           N
+ATOM     25  CA  LYS A   4       6.789   6.403   7.482  1.00 98.92           C
+ATOM     26  C   LYS A   4       6.600   5.450   6.304  1.00 98.99           C
+ATOM     27  O   LYS A   4       7.287   4.433   6.206  1.00 98.91           O
+ATOM     28  CB  LYS A   4       8.210   6.956   7.588  1.00 98.84           C
+ATOM     29  CG  LYS A   4       8.556   7.763   6.336  1.00 90.62           C
+ATOM     30  CD  LYS A   4       9.945   8.375   6.477  1.00 89.48           C
+ATOM     31  CE  LYS A   4      10.188   9.132   5.176  1.00 80.83           C
+ATOM     32  NZ  LYS A   4      11.442   9.914   5.187  1.00 73.80           N
+ATOM     33  N   VAL A   5       5.721   5.826   5.365  1.00 98.81           N
+ATOM     34  CA  VAL A   5       5.501   5.079   4.118  1.00 98.87           C
+ATOM     35  C   VAL A   5       6.006   5.909   2.942  1.00 98.81           C
+ATOM     36  O   VAL A   5       5.598   7.040   2.727  1.00 98.83           O
+ATOM     37  CB  VAL A   5       4.030   4.651   3.969  1.00 98.87           C
+ATOM     38  CG1 VAL A   5       3.810   3.886   2.661  1.00 98.64           C
+ATOM     39  CG2 VAL A   5       3.614   3.734   5.123  1.00 98.72           C
+ATOM     40  N   THR A   6       6.932   5.341   2.181  1.00 98.85           N
+ATOM     41  CA  THR A   6       7.459   5.954   0.956  1.00 98.81           C
+ATOM     42  C   THR A   6       6.792   5.310  -0.256  1.00 98.86           C
+ATOM     43  O   THR A   6       6.958   4.115  -0.480  1.00 98.85           O
+ATOM     44  CB  THR A   6       8.985   5.802   0.869  1.00 98.88           C
+ATOM     45  OG1 THR A   6       9.617   6.370   1.996  1.00 98.43           O
+ATOM     46  CG2 THR A   6       9.562   6.502  -0.354  1.00 98.52           C
+ATOM     47  N   LEU A   7       6.080   6.108  -1.053  1.00 98.78           N
+ATOM     48  CA  LEU A   7       5.387   5.707  -2.276  1.00 98.61           C
+ATOM     49  C   LEU A   7       6.253   6.070  -3.487  1.00 98.58           C
+ATOM     50  O   LEU A   7       6.629   7.231  -3.657  1.00 98.44           O
+ATOM     51  CB  LEU A   7       4.023   6.416  -2.339  1.00 98.69           C
+ATOM     52  CG  LEU A   7       3.117   6.204  -1.111  1.00 98.35           C
+ATOM     53  CD1 LEU A   7       1.878   7.093  -1.245  1.00 98.03           C
+ATOM     54  CD2 LEU A   7       2.672   4.742  -0.977  1.00 98.07           C
+ATOM     55  N   ILE A   8       6.572   5.092  -4.332  1.00 98.73           N
+ATOM     56  CA  ILE A   8       7.394   5.269  -5.536  1.00 98.83           C
+ATOM     57  C   ILE A   8       6.557   4.903  -6.757  1.00 98.74           C
+ATOM     58  O   ILE A   8       6.150   3.754  -6.905  1.00 98.72           O
+ATOM     59  CB  ILE A   8       8.697   4.435  -5.459  1.00 98.82           C
+ATOM     60  CG1 ILE A   8       9.525   4.813  -4.208  1.00 98.51           C
+ATOM     61  CG2 ILE A   8       9.526   4.631  -6.742  1.00 98.61           C
+ATOM     62  CD1 ILE A   8      10.784   3.958  -4.003  1.00 97.78           C
+ATOM     63  N   ASN A   9       6.358   5.837  -7.680  1.00 98.42           N
+ATOM     64  CA  ASN A   9       5.850   5.549  -9.012  1.00 98.35           C
+ATOM     65  C   ASN A   9       7.026   5.578 -10.004  1.00 98.39           C
+ATOM     66  O   ASN A   9       7.537   6.643 -10.346  1.00 98.12           O
+ATOM     67  CB  ASN A   9       4.712   6.524  -9.362  1.00 98.15           C
+ATOM     68  CG  ASN A   9       4.063   6.213 -10.698  1.00 97.80           C
+ATOM     69  OD1 ASN A   9       4.624   5.548 -11.546  1.00 95.72           O
+ATOM     70  ND2 ASN A   9       2.872   6.693 -10.932  1.00 95.11           N
+ATOM     71  N   GLU A  10       7.476   4.400 -10.447  1.00 98.27           N
+ATOM     72  CA  GLU A  10       8.629   4.285 -11.344  1.00 98.06           C
+ATOM     73  C   GLU A  10       8.352   4.851 -12.737  1.00 97.94           C
+ATOM     74  O   GLU A  10       9.247   5.444 -13.342  1.00 97.36           O
+ATOM     75  CB  GLU A  10       9.069   2.821 -11.469  1.00 97.68           C
+ATOM     76  CG  GLU A  10       9.618   2.249 -10.163  1.00 94.26           C
+ATOM     77  CD  GLU A  10      10.176   0.839 -10.382  1.00 91.54           C
+ATOM     78  OE1 GLU A  10      11.371   0.628 -10.087  1.00 83.95           O
+ATOM     79  OE2 GLU A  10       9.403  -0.038 -10.822  1.00 84.22           O
+ATOM     80  N   ALA A  11       7.111   4.699 -13.243  1.00 97.64           N
+ATOM     81  CA  ALA A  11       6.730   5.171 -14.569  1.00 97.10           C
+ATOM     82  C   ALA A  11       6.733   6.709 -14.651  1.00 97.27           C
+ATOM     83  O   ALA A  11       7.155   7.275 -15.656  1.00 96.18           O
+ATOM     84  CB  ALA A  11       5.354   4.594 -14.914  1.00 96.46           C
+ATOM     85  N   GLU A  12       6.317   7.370 -13.581  1.00 97.63           N
+ATOM     86  CA  GLU A  12       6.295   8.831 -13.485  1.00 97.40           C
+ATOM     87  C   GLU A  12       7.581   9.419 -12.873  1.00 97.59           C
+ATOM     88  O   GLU A  12       7.817  10.624 -12.944  1.00 96.71           O
+ATOM     89  CB  GLU A  12       5.063   9.281 -12.698  1.00 96.88           C
+ATOM     90  CG  GLU A  12       3.755   8.885 -13.407  1.00 93.97           C
+ATOM     91  CD  GLU A  12       2.506   9.383 -12.667  1.00 90.26           C
+ATOM     92  OE1 GLU A  12       1.436   9.376 -13.310  1.00 82.55           O
+ATOM     93  OE2 GLU A  12       2.632   9.735 -11.464  1.00 82.57           O
+ATOM     94  N   GLY A  13       8.426   8.574 -12.272  1.00 97.45           N
+ATOM     95  CA  GLY A  13       9.630   9.000 -11.564  1.00 97.45           C
+ATOM     96  C   GLY A  13       9.337   9.818 -10.301  1.00 97.63           C
+ATOM     97  O   GLY A  13      10.156  10.644  -9.901  1.00 96.84           O
+ATOM     98  N   THR A  14       8.156   9.610  -9.686  1.00 97.61           N
+ATOM     99  CA  THR A  14       7.743  10.338  -8.489  1.00 97.77           C
+ATOM    100  C   THR A  14       8.037   9.543  -7.220  1.00 98.09           C
+ATOM    101  O   THR A  14       8.077   8.312  -7.201  1.00 98.09           O
+ATOM    102  CB  THR A  14       6.273  10.788  -8.529  1.00 97.29           C
+ATOM    103  OG1 THR A  14       5.406   9.689  -8.582  1.00 96.21           O
+ATOM    104  CG2 THR A  14       5.973  11.685  -9.727  1.00 95.73           C
+ATOM    105  N   LYS A  15       8.292  10.292  -6.141  1.00 98.16           N
+ATOM    106  CA  LYS A  15       8.519   9.740  -4.806  1.00 98.18           C
+ATOM    107  C   LYS A  15       7.824  10.643  -3.788  1.00 97.91           C
+ATOM    108  O   LYS A  15       8.162  11.819  -3.693  1.00 97.24           O
+ATOM    109  CB  LYS A  15      10.024   9.615  -4.541  1.00 97.62           C
+ATOM    110  CG  LYS A  15      10.297   9.057  -3.141  1.00 95.01           C
+ATOM    111  CD  LYS A  15      11.800   8.881  -2.877  1.00 94.10           C
+ATOM    112  CE  LYS A  15      11.938   8.403  -1.440  1.00 87.52           C
+ATOM    113  NZ  LYS A  15      13.347   8.195  -1.042  1.00 80.76           N
+ATOM    114  N   HIS A  16       6.918  10.057  -3.019  1.00 97.86           N
+ATOM    115  CA  HIS A  16       6.165  10.737  -1.974  1.00 97.74           C
+ATOM    116  C   HIS A  16       6.385  10.045  -0.625  1.00 98.32           C
+ATOM    117  O   HIS A  16       6.613   8.842  -0.565  1.00 98.37           O
+ATOM    118  CB  HIS A  16       4.682  10.805  -2.369  1.00 96.84           C
+ATOM    119  CG  HIS A  16       4.497  11.505  -3.687  1.00 94.76           C
+ATOM    120  ND1 HIS A  16       4.733  12.838  -3.939  1.00 87.34           N
+ATOM    121  CD2 HIS A  16       4.124  10.939  -4.877  1.00 86.48           C
+ATOM    122  CE1 HIS A  16       4.503  13.065  -5.250  1.00 87.17           C
+ATOM    123  NE2 HIS A  16       4.137  11.936  -5.858  1.00 87.89           N
+ATOM    124  N   GLU A  17       6.367  10.824   0.443  1.00 98.30           N
+ATOM    125  CA  GLU A  17       6.494  10.313   1.807  1.00 98.39           C
+ATOM    126  C   GLU A  17       5.238  10.712   2.579  1.00 98.22           C
+ATOM    127  O   GLU A  17       4.896  11.892   2.597  1.00 97.48           O
+ATOM    128  CB  GLU A  17       7.769  10.839   2.489  1.00 97.81           C
+ATOM    129  CG  GLU A  17       9.056  10.383   1.771  1.00 90.95           C
+ATOM    130  CD  GLU A  17      10.355  10.750   2.519  1.00 89.73           C
+ATOM    131  OE1 GLU A  17      11.385  10.059   2.310  1.00 82.95           O
+ATOM    132  OE2 GLU A  17      10.363  11.612   3.413  1.00 83.14           O
+ATOM    133  N   ILE A  18       4.586   9.728   3.194  1.00 98.70           N
+ATOM    134  CA  ILE A  18       3.393   9.901   4.014  1.00 98.89           C
+ATOM    135  C   ILE A  18       3.624   9.295   5.401  1.00 98.83           C
+ATOM    136  O   ILE A  18       4.502   8.441   5.583  1.00 98.85           O
+ATOM    137  CB  ILE A  18       2.134   9.326   3.318  1.00 98.75           C
+ATOM    138  CG1 ILE A  18       2.236   7.807   3.071  1.00 98.53           C
+ATOM    139  CG2 ILE A  18       1.872  10.090   2.004  1.00 98.36           C
+ATOM    140  CD1 ILE A  18       0.955   7.167   2.530  1.00 98.27           C
+ATOM    141  N   GLU A  19       2.846   9.743   6.370  1.00 98.88           N
+ATOM    142  CA  GLU A  19       2.795   9.144   7.704  1.00 98.83           C
+ATOM    143  C   GLU A  19       1.499   8.350   7.850  1.00 98.93           C
+ATOM    144  O   GLU A  19       0.423   8.895   7.624  1.00 98.82           O
+ATOM    145  CB  GLU A  19       2.938  10.206   8.798  1.00 98.66           C
+ATOM    146  CG  GLU A  19       4.331  10.862   8.792  1.00 96.75           C
+ATOM    147  CD  GLU A  19       4.613  11.713  10.041  1.00 93.90           C
+ATOM    148  OE1 GLU A  19       5.818  11.953  10.308  1.00 86.54           O
+ATOM    149  OE2 GLU A  19       3.665  12.103  10.759  1.00 86.07           O
+ATOM    150  N   VAL A  20       1.603   7.075   8.215  1.00 98.84           N
+ATOM    151  CA  VAL A  20       0.456   6.169   8.288  1.00 98.91           C
+ATOM    152  C   VAL A  20       0.354   5.579   9.700  1.00 98.91           C
+ATOM    153  O   VAL A  20       1.301   4.926  10.153  1.00 98.90           O
+ATOM    154  CB  VAL A  20       0.535   5.056   7.219  1.00 98.91           C
+ATOM    155  CG1 VAL A  20      -0.767   4.259   7.171  1.00 98.68           C
+ATOM    156  CG2 VAL A  20       0.796   5.635   5.826  1.00 98.68           C
+ATOM    157  N   PRO A  21      -0.747   5.813  10.420  1.00 98.82           N
+ATOM    158  CA  PRO A  21      -1.058   5.123  11.663  1.00 98.89           C
+ATOM    159  C   PRO A  21      -1.081   3.595  11.478  1.00 98.80           C
+ATOM    160  O   PRO A  21      -1.414   3.088  10.417  1.00 98.81           O
+ATOM    161  CB  PRO A  21      -2.423   5.661  12.104  1.00 98.77           C
+ATOM    162  CG  PRO A  21      -2.507   7.029  11.442  1.00 98.15           C
+ATOM    163  CD  PRO A  21      -1.786   6.798  10.122  1.00 98.84           C
+ATOM    164  N   ASP A  22      -0.726   2.848  12.526  1.00 98.79           N
+ATOM    165  CA  ASP A  22      -0.714   1.381  12.486  1.00 98.61           C
+ATOM    166  C   ASP A  22      -2.109   0.730  12.423  1.00 98.66           C
+ATOM    167  O   ASP A  22      -2.201  -0.482  12.215  1.00 98.31           O
+ATOM    168  CB  ASP A  22       0.130   0.795  13.630  1.00 98.18           C
+ATOM    169  CG  ASP A  22      -0.227   1.219  15.065  1.00 97.87           C
+ATOM    170  OD1 ASP A  22      -1.138   2.034  15.300  1.00 96.58           O
+ATOM    171  OD2 ASP A  22       0.550   0.835  15.974  1.00 95.91           O
+ATOM    172  N   ASP A  23      -3.167   1.529  12.574  1.00 98.72           N
+ATOM    173  CA  ASP A  23      -4.576   1.151  12.490  1.00 98.79           C
+ATOM    174  C   ASP A  23      -5.303   1.767  11.277  1.00 98.83           C
+ATOM    175  O   ASP A  23      -6.531   1.719  11.216  1.00 98.70           O
+ATOM    176  CB  ASP A  23      -5.274   1.459  13.821  1.00 98.56           C
+ATOM    177  CG  ASP A  23      -5.297   2.940  14.237  1.00 98.04           C
+ATOM    178  OD1 ASP A  23      -4.539   3.756  13.670  1.00 97.12           O
+ATOM    179  OD2 ASP A  23      -6.027   3.235  15.206  1.00 96.26           O
+ATOM    180  N   GLU A  24      -4.566   2.304  10.305  1.00 98.75           N
+ATOM    181  CA  GLU A  24      -5.110   2.911   9.084  1.00 98.86           C
+ATOM    182  C   GLU A  24      -4.515   2.265   7.821  1.00 98.92           C
+ATOM    183  O   GLU A  24      -3.326   1.952   7.762  1.00 98.87           O
+ATOM    184  CB  GLU A  24      -4.859   4.421   9.125  1.00 98.67           C
+ATOM    185  CG  GLU A  24      -5.621   5.178   8.035  1.00 97.28           C
+ATOM    186  CD  GLU A  24      -5.431   6.711   8.133  1.00 96.92           C
+ATOM    187  OE1 GLU A  24      -5.890   7.390   7.193  1.00 91.31           O
+ATOM    188  OE2 GLU A  24      -4.823   7.180   9.123  1.00 92.69           O
+ATOM    189  N   TYR A  25      -5.347   2.039   6.795  1.00 98.83           N
+ATOM    190  CA  TYR A  25      -4.883   1.494   5.530  1.00 98.92           C
+ATOM    191  C   TYR A  25      -4.012   2.508   4.768  1.00 98.98           C
+ATOM    192  O   TYR A  25      -4.298   3.698   4.719  1.00 98.92           O
+ATOM    193  CB  TYR A  25      -6.054   1.030   4.663  1.00 98.92           C
+ATOM    194  CG  TYR A  25      -6.860  -0.131   5.203  1.00 98.90           C
+ATOM    195  CD1 TYR A  25      -6.214  -1.299   5.652  1.00 98.73           C
+ATOM    196  CD2 TYR A  25      -8.266  -0.069   5.217  1.00 98.71           C
+ATOM    197  CE1 TYR A  25      -6.964  -2.399   6.110  1.00 98.62           C
+ATOM    198  CE2 TYR A  25      -9.023  -1.168   5.667  1.00 98.58           C
+ATOM    199  CZ  TYR A  25      -8.371  -2.339   6.116  1.00 98.65           C
+ATOM    200  OH  TYR A  25      -9.100  -3.399   6.549  1.00 98.34           O
+ATOM    201  N   ILE A  26      -2.974   1.998   4.093  1.00 98.98           N
+ATOM    202  CA  ILE A  26      -2.022   2.826   3.352  1.00 98.93           C
+ATOM    203  C   ILE A  26      -2.720   3.658   2.267  1.00 98.97           C
+ATOM    204  O   ILE A  26      -2.343   4.810   2.061  1.00 98.89           O
+ATOM    205  CB  ILE A  26      -0.903   1.934   2.757  1.00 98.94           C
+ATOM    206  CG1 ILE A  26      -0.037   1.354   3.905  1.00 98.79           C
+ATOM    207  CG2 ILE A  26      -0.014   2.702   1.762  1.00 98.87           C
+ATOM    208  CD1 ILE A  26       0.896   0.218   3.476  1.00 98.51           C
+ATOM    209  N   LEU A  27      -3.719   3.097   1.578  1.00 98.82           N
+ATOM    210  CA  LEU A  27      -4.486   3.815   0.556  1.00 98.84           C
+ATOM    211  C   LEU A  27      -5.238   5.008   1.154  1.00 98.84           C
+ATOM    212  O   LEU A  27      -5.152   6.100   0.593  1.00 98.84           O
+ATOM    213  CB  LEU A  27      -5.453   2.842  -0.136  1.00 98.84           C
+ATOM    214  CG  LEU A  27      -6.394   3.501  -1.170  1.00 98.27           C
+ATOM    215  CD1 LEU A  27      -5.633   4.139  -2.332  1.00 97.23           C
+ATOM    216  CD2 LEU A  27      -7.322   2.451  -1.758  1.00 97.49           C
+ATOM    217  N   ASP A  28      -5.931   4.818   2.273  1.00 98.81           N
+ATOM    218  CA  ASP A  28      -6.750   5.856   2.895  1.00 98.87           C
+ATOM    219  C   ASP A  28      -5.862   7.006   3.392  1.00 98.84           C
+ATOM    220  O   ASP A  28      -6.080   8.162   3.034  1.00 98.78           O
+ATOM    221  CB  ASP A  28      -7.608   5.245   4.018  1.00 98.81           C
+ATOM    222  CG  ASP A  28      -8.635   4.204   3.527  1.00 98.61           C
+ATOM    223  OD1 ASP A  28      -9.039   4.245   2.344  1.00 97.60           O
+ATOM    224  OD2 ASP A  28      -9.041   3.346   4.340  1.00 97.37           O
+ATOM    225  N   ALA A  29      -4.756   6.679   4.075  1.00 98.79           N
+ATOM    226  CA  ALA A  29      -3.787   7.674   4.531  1.00 98.78           C
+ATOM    227  C   ALA A  29      -3.112   8.434   3.376  1.00 98.73           C
+ATOM    228  O   ALA A  29      -2.784   9.618   3.515  1.00 98.71           O
+ATOM    229  CB  ALA A  29      -2.734   6.952   5.375  1.00 98.80           C
+ATOM    230  N   ALA A  30      -2.877   7.781   2.231  1.00 98.74           N
+ATOM    231  CA  ALA A  30      -2.333   8.444   1.052  1.00 98.67           C
+ATOM    232  C   ALA A  30      -3.319   9.483   0.492  1.00 98.52           C
+ATOM    233  O   ALA A  30      -2.929  10.624   0.246  1.00 98.45           O
+ATOM    234  CB  ALA A  30      -1.951   7.396  -0.002  1.00 98.66           C
+ATOM    235  N   GLU A  31      -4.601   9.120   0.351  1.00 98.61           N
+ATOM    236  CA  GLU A  31      -5.656  10.011  -0.138  1.00 98.61           C
+ATOM    237  C   GLU A  31      -5.873  11.215   0.795  1.00 98.45           C
+ATOM    238  O   GLU A  31      -5.960  12.349   0.331  1.00 98.14           O
+ATOM    239  CB  GLU A  31      -6.965   9.229  -0.302  1.00 98.58           C
+ATOM    240  CG  GLU A  31      -6.904   8.233  -1.470  1.00 98.06           C
+ATOM    241  CD  GLU A  31      -8.222   7.470  -1.659  1.00 97.84           C
+ATOM    242  OE1 GLU A  31      -8.563   7.129  -2.812  1.00 94.99           O
+ATOM    243  OE2 GLU A  31      -8.966   7.186  -0.694  1.00 95.23           O
+ATOM    244  N   GLU A  32      -5.883  10.998   2.115  1.00 98.60           N
+ATOM    245  CA  GLU A  32      -6.004  12.070   3.107  1.00 98.63           C
+ATOM    246  C   GLU A  32      -4.848  13.076   3.037  1.00 98.58           C
+ATOM    247  O   GLU A  32      -5.030  14.277   3.256  1.00 97.99           O
+ATOM    248  CB  GLU A  32      -6.081  11.489   4.522  1.00 98.36           C
+ATOM    249  CG  GLU A  32      -7.429  10.802   4.803  1.00 92.34           C
+ATOM    250  CD  GLU A  32      -7.647  10.469   6.281  1.00 88.49           C
+ATOM    251  OE1 GLU A  32      -8.788  10.056   6.588  1.00 79.83           O
+ATOM    252  OE2 GLU A  32      -6.770  10.817   7.108  1.00 80.11           O
+ATOM    253  N   GLN A  33      -3.656  12.609   2.664  1.00 98.55           N
+ATOM    254  CA  GLN A  33      -2.462  13.435   2.490  1.00 98.49           C
+ATOM    255  C   GLN A  33      -2.301  13.983   1.060  1.00 98.19           C
+ATOM    256  O   GLN A  33      -1.303  14.641   0.759  1.00 97.41           O
+ATOM    257  CB  GLN A  33      -1.235  12.662   2.999  1.00 98.53           C
+ATOM    258  CG  GLN A  33      -1.292  12.524   4.520  1.00 98.43           C
+ATOM    259  CD  GLN A  33      -0.239  11.591   5.067  1.00 98.56           C
+ATOM    260  OE1 GLN A  33       0.938  11.907   5.196  1.00 96.21           O
+ATOM    261  NE2 GLN A  33      -0.644  10.400   5.430  1.00 95.78           N
+ATOM    262  N   GLY A  34      -3.307  13.793   0.206  1.00 97.94           N
+ATOM    263  CA  GLY A  34      -3.385  14.402  -1.122  1.00 97.26           C
+ATOM    264  C   GLY A  34      -2.689  13.617  -2.238  1.00 96.90           C
+ATOM    265  O   GLY A  34      -2.352  14.206  -3.263  1.00 95.35           O
+ATOM    266  N   TYR A  35      -2.467  12.313  -2.054  1.00 97.22           N
+ATOM    267  CA  TYR A  35      -1.868  11.423  -3.049  1.00 97.16           C
+ATOM    268  C   TYR A  35      -2.883  10.396  -3.544  1.00 97.00           C
+ATOM    269  O   TYR A  35      -3.155   9.398  -2.874  1.00 96.57           O
+ATOM    270  CB  TYR A  35      -0.625  10.741  -2.479  1.00 96.83           C
+ATOM    271  CG  TYR A  35       0.424  11.709  -1.983  1.00 93.54           C
+ATOM    272  CD1 TYR A  35       1.163  12.483  -2.896  1.00 89.36           C
+ATOM    273  CD2 TYR A  35       0.628  11.868  -0.599  1.00 90.62           C
+ATOM    274  CE1 TYR A  35       2.113  13.410  -2.425  1.00 87.10           C
+ATOM    275  CE2 TYR A  35       1.576  12.797  -0.129  1.00 88.01           C
+ATOM    276  CZ  TYR A  35       2.318  13.568  -1.042  1.00 87.32           C
+ATOM    277  OH  TYR A  35       3.234  14.461  -0.588  1.00 85.05           O
+ATOM    278  N   ASP A  36      -3.414  10.613  -4.741  1.00 96.75           N
+ATOM    279  CA  ASP A  36      -4.322   9.672  -5.383  1.00 96.24           C
+ATOM    280  C   ASP A  36      -3.570   8.417  -5.842  1.00 96.52           C
+ATOM    281  O   ASP A  36      -2.612   8.490  -6.627  1.00 95.40           O
+ATOM    282  CB  ASP A  36      -5.053  10.342  -6.559  1.00 94.65           C
+ATOM    283  CG  ASP A  36      -5.981  11.491  -6.153  1.00 87.38           C
+ATOM    284  OD1 ASP A  36      -6.610  11.398  -5.073  1.00 84.51           O
+ATOM    285  OD2 ASP A  36      -6.083  12.452  -6.939  1.00 82.78           O
+ATOM    286  N   LEU A  37      -4.019   7.247  -5.383  1.00 97.78           N
+ATOM    287  CA  LEU A  37      -3.529   5.936  -5.806  1.00 97.97           C
+ATOM    288  C   LEU A  37      -4.635   5.151  -6.525  1.00 98.11           C
+ATOM    289  O   LEU A  37      -5.818   5.364  -6.269  1.00 98.00           O
+ATOM    290  CB  LEU A  37      -2.991   5.161  -4.592  1.00 98.06           C
+ATOM    291  CG  LEU A  37      -1.735   5.749  -3.932  1.00 97.51           C
+ATOM    292  CD1 LEU A  37      -1.328   4.844  -2.766  1.00 96.76           C
+ATOM    293  CD2 LEU A  37      -0.552   5.848  -4.885  1.00 96.73           C
+ATOM    294  N   PRO A  38      -4.281   4.203  -7.426  1.00 98.33           N
+ATOM    295  CA  PRO A  38      -5.273   3.412  -8.127  1.00 98.47           C
+ATOM    296  C   PRO A  38      -6.020   2.476  -7.164  1.00 98.67           C
+ATOM    297  O   PRO A  38      -5.421   1.815  -6.316  1.00 98.67           O
+ATOM    298  CB  PRO A  38      -4.502   2.643  -9.205  1.00 98.12           C
+ATOM    299  CG  PRO A  38      -3.103   2.513  -8.607  1.00 96.75           C
+ATOM    300  CD  PRO A  38      -2.938   3.812  -7.833  1.00 98.29           C
+ATOM    301  N   PHE A  39      -7.351   2.405  -7.338  1.00 98.50           N
+ATOM    302  CA  PHE A  39      -8.209   1.482  -6.607  1.00 98.77           C
+ATOM    303  C   PHE A  39      -9.479   1.169  -7.399  1.00 98.74           C
+ATOM    304  O   PHE A  39      -9.882   1.924  -8.290  1.00 98.62           O
+ATOM    305  CB  PHE A  39      -8.564   2.054  -5.216  1.00 98.69           C
+ATOM    306  CG  PHE A  39      -9.446   3.281  -5.258  1.00 98.70           C
+ATOM    307  CD1 PHE A  39      -8.880   4.569  -5.304  1.00 98.10           C
+ATOM    308  CD2 PHE A  39     -10.848   3.151  -5.274  1.00 98.17           C
+ATOM    309  CE1 PHE A  39      -9.700   5.707  -5.376  1.00 97.74           C
+ATOM    310  CE2 PHE A  39     -11.667   4.292  -5.345  1.00 97.86           C
+ATOM    311  CZ  PHE A  39     -11.093   5.571  -5.400  1.00 97.83           C
+ATOM    312  N   SER A  40     -10.161   0.089  -7.025  1.00 98.62           N
+ATOM    313  CA  SER A  40     -11.490  -0.252  -7.546  1.00 98.62           C
+ATOM    314  C   SER A  40     -12.383  -0.791  -6.426  1.00 98.63           C
+ATOM    315  O   SER A  40     -13.278  -0.087  -5.967  1.00 98.18           O
+ATOM    316  CB  SER A  40     -11.358  -1.227  -8.722  1.00 98.45           C
+ATOM    317  OG  SER A  40     -12.629  -1.559  -9.244  1.00 95.44           O
+ATOM    318  N   CYS A  41     -12.137  -2.025  -5.947  1.00 98.40           N
+ATOM    319  CA  CYS A  41     -13.030  -2.688  -4.998  1.00 98.54           C
+ATOM    320  C   CYS A  41     -12.942  -2.160  -3.558  1.00 98.55           C
+ATOM    321  O   CYS A  41     -13.912  -2.317  -2.821  1.00 98.25           O
+ATOM    322  CB  CYS A  41     -12.787  -4.208  -5.043  1.00 98.40           C
+ATOM    323  SG  CYS A  41     -11.208  -4.643  -4.241  1.00 98.29           S
+ATOM    324  N   ARG A  42     -11.806  -1.599  -3.137  1.00 98.46           N
+ATOM    325  CA  ARG A  42     -11.482  -1.215  -1.743  1.00 98.50           C
+ATOM    326  C   ARG A  42     -11.760  -2.308  -0.694  1.00 98.60           C
+ATOM    327  O   ARG A  42     -12.091  -2.012   0.445  1.00 98.06           O
+ATOM    328  CB  ARG A  42     -12.152   0.115  -1.357  1.00 98.49           C
+ATOM    329  CG  ARG A  42     -11.615   1.312  -2.118  1.00 98.00           C
+ATOM    330  CD  ARG A  42     -12.194   2.585  -1.501  1.00 97.82           C
+ATOM    331  NE  ARG A  42     -11.692   3.780  -2.160  1.00 96.99           N
+ATOM    332  CZ  ARG A  42     -10.911   4.734  -1.664  1.00 97.44           C
+ATOM    333  NH1 ARG A  42     -10.438   4.752  -0.453  1.00 94.63           N
+ATOM    334  NH2 ARG A  42     -10.589   5.725  -2.423  1.00 94.94           N
+ATOM    335  N   ALA A  43     -11.648  -3.577  -1.087  1.00 98.24           N
+ATOM    336  CA  ALA A  43     -12.034  -4.714  -0.252  1.00 98.36           C
+ATOM    337  C   ALA A  43     -11.039  -5.889  -0.341  1.00 98.46           C
+ATOM    338  O   ALA A  43     -11.407  -7.013  -0.028  1.00 97.75           O
+ATOM    339  CB  ALA A  43     -13.467  -5.120  -0.638  1.00 98.22           C
+ATOM    340  N   GLY A  44      -9.814  -5.652  -0.839  1.00 98.48           N
+ATOM    341  CA  GLY A  44      -8.790  -6.689  -0.986  1.00 98.54           C
+ATOM    342  C   GLY A  44      -9.122  -7.787  -2.000  1.00 98.67           C
+ATOM    343  O   GLY A  44      -8.535  -8.860  -1.953  1.00 98.46           O
+ATOM    344  N   ALA A  45     -10.098  -7.560  -2.907  1.00 98.73           N
+ATOM    345  CA  ALA A  45     -10.674  -8.573  -3.800  1.00 98.72           C
+ATOM    346  C   ALA A  45     -10.375  -8.333  -5.295  1.00 98.76           C
+ATOM    347  O   ALA A  45     -10.981  -8.969  -6.159  1.00 98.23           O
+ATOM    348  CB  ALA A  45     -12.172  -8.661  -3.502  1.00 98.70           C
+ATOM    349  N   CYS A  46      -9.483  -7.392  -5.623  1.00 98.66           N
+ATOM    350  CA  CYS A  46      -8.994  -7.144  -6.979  1.00 98.77           C
+ATOM    351  C   CYS A  46      -7.527  -6.693  -6.953  1.00 98.70           C
+ATOM    352  O   CYS A  46      -6.967  -6.486  -5.879  1.00 98.70           O
+ATOM    353  CB  CYS A  46      -9.907  -6.125  -7.694  1.00 98.61           C
+ATOM    354  SG  CYS A  46      -9.594  -4.410  -7.160  1.00 98.44           S
+ATOM    355  N   SER A  47      -6.916  -6.525  -8.114  1.00 98.75           N
+ATOM    356  CA  SER A  47      -5.503  -6.149  -8.285  1.00 98.77           C
+ATOM    357  C   SER A  47      -5.257  -4.657  -8.485  1.00 98.87           C
+ATOM    358  O   SER A  47      -4.107  -4.236  -8.481  1.00 98.69           O
+ATOM    359  CB  SER A  47      -4.936  -6.908  -9.476  1.00 98.61           C
+ATOM    360  OG  SER A  47      -5.850  -6.834 -10.554  1.00 98.01           O
+ATOM    361  N   THR A  48      -6.300  -3.821  -8.646  1.00 98.81           N
+ATOM    362  CA  THR A  48      -6.142  -2.427  -9.092  1.00 98.85           C
+ATOM    363  C   THR A  48      -5.258  -1.580  -8.177  1.00 98.83           C
+ATOM    364  O   THR A  48      -4.522  -0.715  -8.648  1.00 98.81           O
+ATOM    365  CB  THR A  48      -7.515  -1.761  -9.240  1.00 98.84           C
+ATOM    366  OG1 THR A  48      -8.337  -2.545 -10.084  1.00 98.18           O
+ATOM    367  CG2 THR A  48      -7.464  -0.364  -9.859  1.00 98.06           C
+ATOM    368  N   CYS A  49      -5.290  -1.828  -6.862  1.00 98.60           N
+ATOM    369  CA  CYS A  49      -4.455  -1.116  -5.895  1.00 98.77           C
+ATOM    370  C   CYS A  49      -3.093  -1.786  -5.632  1.00 98.88           C
+ATOM    371  O   CYS A  49      -2.453  -1.480  -4.628  1.00 98.84           O
+ATOM    372  CB  CYS A  49      -5.267  -0.907  -4.605  1.00 98.74           C
+ATOM    373  SG  CYS A  49      -5.519  -2.483  -3.746  1.00 98.72           S
+ATOM    374  N   ALA A  50      -2.666  -2.731  -6.477  1.00 98.72           N
+ATOM    375  CA  ALA A  50      -1.448  -3.494  -6.241  1.00 98.80           C
+ATOM    376  C   ALA A  50      -0.210  -2.592  -6.203  1.00 98.86           C
+ATOM    377  O   ALA A  50       0.050  -1.775  -7.094  1.00 98.76           O
+ATOM    378  CB  ALA A  50      -1.319  -4.616  -7.269  1.00 98.79           C
+ATOM    379  N   GLY A  51       0.579  -2.777  -5.155  1.00 98.86           N
+ATOM    380  CA  GLY A  51       1.933  -2.271  -5.019  1.00 98.89           C
+ATOM    381  C   GLY A  51       2.928  -3.416  -4.803  1.00 98.90           C
+ATOM    382  O   GLY A  51       2.540  -4.574  -4.644  1.00 98.85           O
+ATOM    383  N   LYS A  52       4.222  -3.078  -4.780  1.00 98.87           N
+ATOM    384  CA  LYS A  52       5.295  -4.026  -4.477  1.00 98.85           C
+ATOM    385  C   LYS A  52       6.212  -3.470  -3.402  1.00 98.85           C
+ATOM    386  O   LYS A  52       6.736  -2.363  -3.534  1.00 98.75           O
+ATOM    387  CB  LYS A  52       6.023  -4.383  -5.775  1.00 98.76           C
+ATOM    388  CG  LYS A  52       6.973  -5.563  -5.576  1.00 97.80           C
+ATOM    389  CD  LYS A  52       7.479  -6.050  -6.936  1.00 96.36           C
+ATOM    390  CE  LYS A  52       8.233  -7.353  -6.764  1.00 94.16           C
+ATOM    391  NZ  LYS A  52       8.243  -8.133  -8.031  1.00 89.33           N
+ATOM    392  N   LEU A  53       6.424  -4.244  -2.341  1.00 98.74           N
+ATOM    393  CA  LEU A  53       7.316  -3.882  -1.251  1.00 98.67           C
+ATOM    394  C   LEU A  53       8.771  -3.868  -1.735  1.00 98.74           C
+ATOM    395  O   LEU A  53       9.271  -4.841  -2.293  1.00 98.44           O
+ATOM    396  CB  LEU A  53       7.133  -4.853  -0.072  1.00 98.18           C
+ATOM    397  CG  LEU A  53       5.764  -4.776   0.612  1.00 95.97           C
+ATOM    398  CD1 LEU A  53       5.635  -5.886   1.654  1.00 94.10           C
+ATOM    399  CD2 LEU A  53       5.552  -3.455   1.327  1.00 94.59           C
+ATOM    400  N   VAL A  54       9.454  -2.767  -1.475  1.00 98.70           N
+ATOM    401  CA  VAL A  54      10.906  -2.641  -1.619  1.00 98.70           C
+ATOM    402  C   VAL A  54      11.585  -2.931  -0.280  1.00 98.78           C
+ATOM    403  O   VAL A  54      12.621  -3.593  -0.227  1.00 98.56           O
+ATOM    404  CB  VAL A  54      11.282  -1.223  -2.117  1.00 98.65           C
+ATOM    405  CG1 VAL A  54      12.794  -1.055  -2.281  1.00 98.14           C
+ATOM    406  CG2 VAL A  54      10.618  -0.904  -3.457  1.00 98.18           C
+ATOM    407  N   SER A  55      10.990  -2.439   0.811  1.00 98.53           N
+ATOM    408  CA  SER A  55      11.440  -2.688   2.181  1.00 98.61           C
+ATOM    409  C   SER A  55      10.303  -2.455   3.174  1.00 98.75           C
+ATOM    410  O   SER A  55       9.352  -1.741   2.871  1.00 98.69           O
+ATOM    411  CB  SER A  55      12.618  -1.779   2.541  1.00 98.58           C
+ATOM    412  OG  SER A  55      12.244  -0.415   2.523  1.00 97.78           O
+ATOM    413  N   GLY A  56      10.453  -2.998   4.379  1.00 98.82           N
+ATOM    414  CA  GLY A  56       9.450  -2.907   5.440  1.00 98.85           C
+ATOM    415  C   GLY A  56       8.454  -4.060   5.403  1.00 98.84           C
+ATOM    416  O   GLY A  56       8.608  -5.005   4.628  1.00 98.68           O
+ATOM    417  N   THR A  57       7.459  -3.993   6.271  1.00 98.77           N
+ATOM    418  CA  THR A  57       6.452  -5.039   6.461  1.00 98.80           C
+ATOM    419  C   THR A  57       5.066  -4.433   6.624  1.00 98.82           C
+ATOM    420  O   THR A  57       4.916  -3.342   7.183  1.00 98.88           O
+ATOM    421  CB  THR A  57       6.773  -5.935   7.671  1.00 98.73           C
+ATOM    422  OG1 THR A  57       6.981  -5.160   8.840  1.00 98.38           O
+ATOM    423  CG2 THR A  57       8.034  -6.765   7.464  1.00 98.17           C
+ATOM    424  N   VAL A  58       4.054  -5.163   6.160  1.00 98.92           N
+ATOM    425  CA  VAL A  58       2.635  -4.804   6.276  1.00 98.93           C
+ATOM    426  C   VAL A  58       1.842  -5.975   6.842  1.00 98.96           C
+ATOM    427  O   VAL A  58       2.251  -7.127   6.705  1.00 98.88           O
+ATOM    428  CB  VAL A  58       2.036  -4.341   4.927  1.00 98.90           C
+ATOM    429  CG1 VAL A  58       2.776  -3.117   4.374  1.00 98.66           C
+ATOM    430  CG2 VAL A  58       2.036  -5.440   3.858  1.00 98.49           C
+ATOM    431  N   ASP A  59       0.697  -5.673   7.449  1.00 98.89           N
+ATOM    432  CA  ASP A  59      -0.378  -6.629   7.689  1.00 98.90           C
+ATOM    433  C   ASP A  59      -1.460  -6.392   6.635  1.00 98.93           C
+ATOM    434  O   ASP A  59      -2.075  -5.333   6.594  1.00 98.87           O
+ATOM    435  CB  ASP A  59      -0.912  -6.493   9.119  1.00 98.87           C
+ATOM    436  CG  ASP A  59      -1.983  -7.538   9.472  1.00 98.75           C
+ATOM    437  OD1 ASP A  59      -2.424  -8.281   8.567  1.00 98.10           O
+ATOM    438  OD2 ASP A  59      -2.326  -7.619  10.665  1.00 97.89           O
+ATOM    439  N   GLN A  60      -1.656  -7.364   5.751  1.00 98.87           N
+ATOM    440  CA  GLN A  60      -2.693  -7.371   4.725  1.00 98.77           C
+ATOM    441  C   GLN A  60      -3.571  -8.625   4.837  1.00 98.61           C
+ATOM    442  O   GLN A  60      -4.036  -9.166   3.844  1.00 98.45           O
+ATOM    443  CB  GLN A  60      -2.091  -7.173   3.322  1.00 98.49           C
+ATOM    444  CG  GLN A  60      -1.113  -8.275   2.891  1.00 98.35           C
+ATOM    445  CD  GLN A  60      -0.618  -8.102   1.461  1.00 98.66           C
+ATOM    446  OE1 GLN A  60      -1.187  -7.374   0.647  1.00 96.80           O
+ATOM    447  NE2 GLN A  60       0.461  -8.738   1.077  1.00 96.73           N
+ATOM    448  N   SER A  61      -3.785  -9.102   6.051  1.00 98.73           N
+ATOM    449  CA  SER A  61      -4.562 -10.315   6.327  1.00 98.52           C
+ATOM    450  C   SER A  61      -6.012 -10.264   5.826  1.00 98.42           C
+ATOM    451  O   SER A  61      -6.606 -11.308   5.572  1.00 97.99           O
+ATOM    452  CB  SER A  61      -4.537 -10.621   7.827  1.00 98.41           C
+ATOM    453  OG  SER A  61      -4.950  -9.514   8.604  1.00 96.85           O
+ATOM    454  N   ASP A  62      -6.553  -9.055   5.590  1.00 97.90           N
+ATOM    455  CA  ASP A  62      -7.893  -8.845   5.030  1.00 97.73           C
+ATOM    456  C   ASP A  62      -7.956  -9.017   3.499  1.00 97.93           C
+ATOM    457  O   ASP A  62      -9.044  -9.034   2.912  1.00 97.17           O
+ATOM    458  CB  ASP A  62      -8.399  -7.448   5.435  1.00 97.30           C
+ATOM    459  CG  ASP A  62      -8.712  -7.304   6.929  1.00 95.54           C
+ATOM    460  OD1 ASP A  62      -8.985  -8.326   7.600  1.00 93.22           O
+ATOM    461  OD2 ASP A  62      -8.755  -6.141   7.399  1.00 92.66           O
+ATOM    462  N   GLN A  63      -6.808  -9.155   2.797  1.00 98.58           N
+ATOM    463  CA  GLN A  63      -6.785  -9.389   1.355  1.00 98.49           C
+ATOM    464  C   GLN A  63      -7.229 -10.819   1.006  1.00 98.40           C
+ATOM    465  O   GLN A  63      -7.040 -11.759   1.772  1.00 98.31           O
+ATOM    466  CB  GLN A  63      -5.423  -8.993   0.755  1.00 98.25           C
+ATOM    467  CG  GLN A  63      -4.302 -10.046   0.908  1.00 97.91           C
+ATOM    468  CD  GLN A  63      -4.367 -11.167  -0.118  1.00 98.37           C
+ATOM    469  OE1 GLN A  63      -4.867 -11.000  -1.222  1.00 96.28           O
+ATOM    470  NE2 GLN A  63      -3.894 -12.347   0.190  1.00 96.08           N
+ATOM    471  N   SER A  64      -7.822 -10.978  -0.172  1.00 98.67           N
+ATOM    472  CA  SER A  64      -8.295 -12.283  -0.667  1.00 98.68           C
+ATOM    473  C   SER A  64      -7.964 -12.541  -2.139  1.00 98.70           C
+ATOM    474  O   SER A  64      -8.390 -13.556  -2.688  1.00 98.42           O
+ATOM    475  CB  SER A  64      -9.811 -12.399  -0.436  1.00 98.56           C
+ATOM    476  OG  SER A  64     -10.520 -11.396  -1.145  1.00 96.56           O
+ATOM    477  N   PHE A  65      -7.257 -11.627  -2.806  1.00 98.77           N
+ATOM    478  CA  PHE A  65      -6.964 -11.702  -4.238  1.00 98.79           C
+ATOM    479  C   PHE A  65      -5.582 -12.293  -4.531  1.00 98.72           C
+ATOM    480  O   PHE A  65      -5.472 -13.145  -5.408  1.00 98.61           O
+ATOM    481  CB  PHE A  65      -7.110 -10.310  -4.857  1.00 98.72           C
+ATOM    482  CG  PHE A  65      -6.812 -10.284  -6.341  1.00 98.69           C
+ATOM    483  CD1 PHE A  65      -5.497 -10.056  -6.798  1.00 98.34           C
+ATOM    484  CD2 PHE A  65      -7.827 -10.572  -7.271  1.00 98.44           C
+ATOM    485  CE1 PHE A  65      -5.196 -10.132  -8.173  1.00 98.13           C
+ATOM    486  CE2 PHE A  65      -7.535 -10.647  -8.647  1.00 98.13           C
+ATOM    487  CZ  PHE A  65      -6.217 -10.428  -9.084  1.00 98.14           C
+ATOM    488  N   LEU A  66      -4.533 -11.849  -3.823  1.00 98.79           N
+ATOM    489  CA  LEU A  66      -3.174 -12.338  -4.017  1.00 98.70           C
+ATOM    490  C   LEU A  66      -3.033 -13.760  -3.456  1.00 98.60           C
+ATOM    491  O   LEU A  66      -3.501 -14.031  -2.351  1.00 98.50           O
+ATOM    492  CB  LEU A  66      -2.153 -11.402  -3.340  1.00 98.77           C
+ATOM    493  CG  LEU A  66      -2.152  -9.954  -3.830  1.00 98.56           C
+ATOM    494  CD1 LEU A  66      -1.209  -9.112  -2.964  1.00 98.51           C
+ATOM    495  CD2 LEU A  66      -1.703  -9.824  -5.282  1.00 98.48           C
+ATOM    496  N   ASP A  67      -2.351 -14.631  -4.208  1.00 98.50           N
+ATOM    497  CA  ASP A  67      -1.921 -15.931  -3.706  1.00 98.45           C
+ATOM    498  C   ASP A  67      -0.626 -15.834  -2.873  1.00 98.53           C
+ATOM    499  O   ASP A  67       0.011 -14.781  -2.781  1.00 98.50           O
+ATOM    500  CB  ASP A  67      -1.838 -16.954  -4.862  1.00 97.93           C
+ATOM    501  CG  ASP A  67      -0.782 -16.630  -5.921  1.00 96.37           C
+ATOM    502  OD1 ASP A  67       0.325 -16.186  -5.544  1.00 93.51           O
+ATOM    503  OD2 ASP A  67      -1.079 -16.842  -7.125  1.00 93.46           O
+ATOM    504  N   ASP A  68      -0.242 -16.947  -2.244  1.00 98.34           N
+ATOM    505  CA  ASP A  68       0.926 -17.002  -1.363  1.00 98.36           C
+ATOM    506  C   ASP A  68       2.232 -16.651  -2.106  1.00 98.51           C
+ATOM    507  O   ASP A  68       3.079 -15.944  -1.552  1.00 98.45           O
+ATOM    508  CB  ASP A  68       1.040 -18.395  -0.718  1.00 98.13           C
+ATOM    509  CG  ASP A  68      -0.072 -18.742   0.288  1.00 96.65           C
+ATOM    510  OD1 ASP A  68      -0.743 -17.818   0.805  1.00 94.76           O
+ATOM    511  OD2 ASP A  68      -0.235 -19.954   0.577  1.00 94.68           O
+ATOM    512  N   ASP A  69       2.377 -17.071  -3.373  1.00 98.12           N
+ATOM    513  CA  ASP A  69       3.579 -16.816  -4.176  1.00 98.13           C
+ATOM    514  C   ASP A  69       3.705 -15.317  -4.513  1.00 98.45           C
+ATOM    515  O   ASP A  69       4.797 -14.737  -4.457  1.00 98.38           O
+ATOM    516  CB  ASP A  69       3.542 -17.638  -5.479  1.00 97.88           C
+ATOM    517  CG  ASP A  69       3.725 -19.160  -5.335  1.00 95.73           C
+ATOM    518  OD1 ASP A  69       4.173 -19.634  -4.267  1.00 94.10           O
+ATOM    519  OD2 ASP A  69       3.481 -19.879  -6.345  1.00 93.54           O
+ATOM    520  N   GLN A  70       2.588 -14.652  -4.805  1.00 98.64           N
+ATOM    521  CA  GLN A  70       2.541 -13.210  -5.050  1.00 98.70           C
+ATOM    522  C   GLN A  70       2.852 -12.414  -3.770  1.00 98.70           C
+ATOM    523  O   GLN A  70       3.599 -11.430  -3.826  1.00 98.76           O
+ATOM    524  CB  GLN A  70       1.156 -12.829  -5.586  1.00 98.71           C
+ATOM    525  CG  GLN A  70       0.932 -13.321  -7.024  1.00 98.52           C
+ATOM    526  CD  GLN A  70      -0.493 -13.082  -7.509  1.00 98.42           C
+ATOM    527  OE1 GLN A  70      -1.460 -13.065  -6.770  1.00 97.06           O
+ATOM    528  NE2 GLN A  70      -0.678 -12.874  -8.798  1.00 96.30           N
+ATOM    529  N   ILE A  71       2.342 -12.858  -2.614  1.00 98.64           N
+ATOM    530  CA  ILE A  71       2.674 -12.248  -1.321  1.00 98.77           C
+ATOM    531  C   ILE A  71       4.163 -12.420  -1.011  1.00 98.79           C
+ATOM    532  O   ILE A  71       4.825 -11.449  -0.647  1.00 98.64           O
+ATOM    533  CB  ILE A  71       1.775 -12.828  -0.199  1.00 98.71           C
+ATOM    534  CG1 ILE A  71       0.305 -12.407  -0.422  1.00 98.32           C
+ATOM    535  CG2 ILE A  71       2.249 -12.357   1.187  1.00 98.37           C
+ATOM    536  CD1 ILE A  71      -0.686 -13.163   0.476  1.00 96.63           C
+ATOM    537  N   GLU A  72       4.723 -13.629  -1.211  1.00 98.36           N
+ATOM    538  CA  GLU A  72       6.154 -13.895  -1.004  1.00 98.24           C
+ATOM    539  C   GLU A  72       7.040 -13.069  -1.952  1.00 98.33           C
+ATOM    540  O   GLU A  72       8.099 -12.562  -1.562  1.00 98.21           O
+ATOM    541  CB  GLU A  72       6.430 -15.406  -1.137  1.00 98.17           C
+ATOM    542  CG  GLU A  72       7.886 -15.745  -0.758  1.00 92.92           C
+ATOM    543  CD  GLU A  72       8.226 -17.255  -0.732  1.00 89.16           C
+ATOM    544  OE1 GLU A  72       9.379 -17.555  -0.296  1.00 82.11           O
+ATOM    545  OE2 GLU A  72       7.397 -18.087  -1.120  1.00 83.46           O
+ATOM    546  N   ALA A  73       6.578 -12.834  -3.192  1.00 98.56           N
+ATOM    547  CA  ALA A  73       7.241 -11.949  -4.152  1.00 98.53           C
+ATOM    548  C   ALA A  73       7.179 -10.455  -3.772  1.00 98.69           C
+ATOM    549  O   ALA A  73       7.819  -9.624  -4.432  1.00 98.57           O
+ATOM    550  CB  ALA A  73       6.645 -12.216  -5.540  1.00 98.50           C
+ATOM    551  N   GLY A  74       6.451 -10.104  -2.714  1.00 98.65           N
+ATOM    552  CA  GLY A  74       6.366  -8.768  -2.131  1.00 98.72           C
+ATOM    553  C   GLY A  74       5.187  -7.930  -2.623  1.00 98.81           C
+ATOM    554  O   GLY A  74       5.179  -6.725  -2.362  1.00 98.70           O
+ATOM    555  N   TYR A  75       4.205  -8.511  -3.334  1.00 98.85           N
+ATOM    556  CA  TYR A  75       3.009  -7.768  -3.727  1.00 98.80           C
+ATOM    557  C   TYR A  75       2.110  -7.481  -2.526  1.00 98.84           C
+ATOM    558  O   TYR A  75       2.011  -8.256  -1.576  1.00 98.84           O
+ATOM    559  CB  TYR A  75       2.257  -8.473  -4.855  1.00 98.90           C
+ATOM    560  CG  TYR A  75       3.025  -8.504  -6.164  1.00 98.87           C
+ATOM    561  CD1 TYR A  75       3.041  -7.367  -6.990  1.00 98.66           C
+ATOM    562  CD2 TYR A  75       3.739  -9.656  -6.530  1.00 98.69           C
+ATOM    563  CE1 TYR A  75       3.775  -7.391  -8.193  1.00 98.54           C
+ATOM    564  CE2 TYR A  75       4.468  -9.684  -7.725  1.00 98.50           C
+ATOM    565  CZ  TYR A  75       4.485  -8.547  -8.561  1.00 98.58           C
+ATOM    566  OH  TYR A  75       5.199  -8.580  -9.718  1.00 98.21           O
+ATOM    567  N   VAL A  76       1.467  -6.312  -2.565  1.00 98.79           N
+ATOM    568  CA  VAL A  76       0.605  -5.817  -1.488  1.00 98.79           C
+ATOM    569  C   VAL A  76      -0.600  -5.098  -2.074  1.00 98.89           C
+ATOM    570  O   VAL A  76      -0.464  -4.344  -3.035  1.00 98.71           O
+ATOM    571  CB  VAL A  76       1.405  -4.917  -0.525  1.00 98.20           C
+ATOM    572  CG1 VAL A  76       2.024  -3.681  -1.185  1.00 92.08           C
+ATOM    573  CG2 VAL A  76       0.554  -4.449   0.659  1.00 90.89           C
+ATOM    574  N   LEU A  77      -1.790  -5.299  -1.488  1.00 98.72           N
+ATOM    575  CA  LEU A  77      -2.996  -4.544  -1.831  1.00 98.82           C
+ATOM    576  C   LEU A  77      -3.135  -3.359  -0.879  1.00 98.81           C
+ATOM    577  O   LEU A  77      -3.546  -3.506   0.271  1.00 98.82           O
+ATOM    578  CB  LEU A  77      -4.231  -5.456  -1.815  1.00 98.85           C
+ATOM    579  CG  LEU A  77      -4.152  -6.653  -2.768  1.00 98.64           C
+ATOM    580  CD1 LEU A  77      -5.491  -7.388  -2.762  1.00 98.52           C
+ATOM    581  CD2 LEU A  77      -3.831  -6.264  -4.215  1.00 98.54           C
+ATOM    582  N   THR A  78      -2.792  -2.154  -1.360  1.00 98.75           N
+ATOM    583  CA  THR A  78      -2.711  -0.953  -0.518  1.00 98.83           C
+ATOM    584  C   THR A  78      -4.039  -0.565   0.135  1.00 98.85           C
+ATOM    585  O   THR A  78      -4.019   0.090   1.173  1.00 98.82           O
+ATOM    586  CB  THR A  78      -2.168   0.254  -1.305  1.00 98.82           C
+ATOM    587  OG1 THR A  78      -2.955   0.511  -2.440  1.00 98.44           O
+ATOM    588  CG2 THR A  78      -0.732   0.033  -1.783  1.00 98.36           C
+ATOM    589  N   CYS A  79      -5.183  -1.002  -0.426  1.00 98.81           N
+ATOM    590  CA  CYS A  79      -6.505  -0.690   0.108  1.00 98.82           C
+ATOM    591  C   CYS A  79      -6.870  -1.444   1.403  1.00 98.87           C
+ATOM    592  O   CYS A  79      -7.856  -1.078   2.034  1.00 98.82           O
+ATOM    593  CB  CYS A  79      -7.567  -0.917  -0.975  1.00 98.80           C
+ATOM    594  SG  CYS A  79      -7.880  -2.676  -1.327  1.00 98.78           S
+ATOM    595  N   VAL A  80      -6.130  -2.495   1.756  1.00 98.76           N
+ATOM    596  CA  VAL A  80      -6.370  -3.332   2.952  1.00 98.76           C
+ATOM    597  C   VAL A  80      -5.070  -3.666   3.686  1.00 98.84           C
+ATOM    598  O   VAL A  80      -4.986  -4.664   4.396  1.00 98.75           O
+ATOM    599  CB  VAL A  80      -7.178  -4.613   2.623  1.00 98.76           C
+ATOM    600  CG1 VAL A  80      -8.595  -4.279   2.159  1.00 97.88           C
+ATOM    601  CG2 VAL A  80      -6.499  -5.478   1.551  1.00 97.79           C
+ATOM    602  N   ALA A  81      -4.020  -2.846   3.485  1.00 98.87           N
+ATOM    603  CA  ALA A  81      -2.722  -3.063   4.102  1.00 98.86           C
+ATOM    604  C   ALA A  81      -2.443  -2.034   5.201  1.00 98.91           C
+ATOM    605  O   ALA A  81      -2.387  -0.828   4.928  1.00 98.91           O
+ATOM    606  CB  ALA A  81      -1.640  -3.040   3.015  1.00 98.86           C
+ATOM    607  N   TYR A  82      -2.195  -2.519   6.418  1.00 98.96           N
+ATOM    608  CA  TYR A  82      -1.663  -1.721   7.520  1.00 98.96           C
+ATOM    609  C   TYR A  82      -0.134  -1.773   7.513  1.00 98.93           C
+ATOM    610  O   TYR A  82       0.428  -2.866   7.400  1.00 98.91           O
+ATOM    611  CB  TYR A  82      -2.187  -2.259   8.854  1.00 98.90           C
+ATOM    612  CG  TYR A  82      -3.695  -2.228   8.992  1.00 98.87           C
+ATOM    613  CD1 TYR A  82      -4.351  -1.003   9.183  1.00 98.64           C
+ATOM    614  CD2 TYR A  82      -4.432  -3.423   8.946  1.00 98.71           C
+ATOM    615  CE1 TYR A  82      -5.743  -0.955   9.325  1.00 98.62           C
+ATOM    616  CE2 TYR A  82      -5.835  -3.382   9.092  1.00 98.62           C
+ATOM    617  CZ  TYR A  82      -6.491  -2.147   9.284  1.00 98.72           C
+ATOM    618  OH  TYR A  82      -7.837  -2.096   9.426  1.00 98.43           O
+ATOM    619  N   PRO A  83       0.593  -0.657   7.680  1.00 98.91           N
+ATOM    620  CA  PRO A  83       2.029  -0.721   7.897  1.00 98.94           C
+ATOM    621  C   PRO A  83       2.325  -1.304   9.287  1.00 98.94           C
+ATOM    622  O   PRO A  83       1.711  -0.943  10.282  1.00 98.89           O
+ATOM    623  CB  PRO A  83       2.521   0.723   7.754  1.00 98.92           C
+ATOM    624  CG  PRO A  83       1.325   1.537   8.234  1.00 98.67           C
+ATOM    625  CD  PRO A  83       0.112   0.709   7.805  1.00 98.94           C
+ATOM    626  N   THR A  84       3.315  -2.202   9.367  1.00 98.91           N
+ATOM    627  CA  THR A  84       3.819  -2.769  10.637  1.00 98.90           C
+ATOM    628  C   THR A  84       5.265  -2.355  10.927  1.00 98.93           C
+ATOM    629  O   THR A  84       5.846  -2.723  11.944  1.00 98.83           O
+ATOM    630  CB  THR A  84       3.642  -4.292  10.682  1.00 98.88           C
+ATOM    631  OG1 THR A  84       4.312  -4.896   9.606  1.00 98.34           O
+ATOM    632  CG2 THR A  84       2.186  -4.719  10.594  1.00 97.86           C
+ATOM    633  N   SER A  85       5.853  -1.568  10.025  1.00 98.81           N
+ATOM    634  CA  SER A  85       7.137  -0.876  10.145  1.00 98.82           C
+ATOM    635  C   SER A  85       7.142   0.340   9.217  1.00 98.96           C
+ATOM    636  O   SER A  85       6.197   0.541   8.459  1.00 98.89           O
+ATOM    637  CB  SER A  85       8.289  -1.825   9.769  1.00 98.79           C
+ATOM    638  OG  SER A  85       8.337  -2.086   8.374  1.00 98.58           O
+ATOM    639  N   ASP A  86       8.219   1.119   9.185  1.00 98.85           N
+ATOM    640  CA  ASP A  86       8.477   1.991   8.028  1.00 98.99           C
+ATOM    641  C   ASP A  86       8.538   1.149   6.749  1.00 98.90           C
+ATOM    642  O   ASP A  86       9.126   0.058   6.738  1.00 98.75           O
+ATOM    643  CB  ASP A  86       9.769   2.802   8.201  1.00 98.90           C
+ATOM    644  CG  ASP A  86       9.733   3.840   9.325  1.00 98.80           C
+ATOM    645  OD1 ASP A  86       8.647   4.104   9.882  1.00 98.19           O
+ATOM    646  OD2 ASP A  86      10.817   4.387   9.616  1.00 98.10           O
+ATOM    647  N   VAL A  87       7.908   1.646   5.666  1.00 98.64           N
+ATOM    648  CA  VAL A  87       7.721   0.895   4.420  1.00 98.64           C
+ATOM    649  C   VAL A  87       8.149   1.718   3.209  1.00 98.71           C
+ATOM    650  O   VAL A  87       7.925   2.917   3.134  1.00 98.64           O
+ATOM    651  CB  VAL A  87       6.255   0.422   4.264  1.00 97.62           C
+ATOM    652  CG1 VAL A  87       6.120  -0.558   3.094  1.00 93.25           C
+ATOM    653  CG2 VAL A  87       5.715  -0.326   5.478  1.00 93.67           C
+ATOM    654  N   VAL A  88       8.736   1.047   2.226  1.00 98.80           N
+ATOM    655  CA  VAL A  88       8.927   1.591   0.879  1.00 98.83           C
+ATOM    656  C   VAL A  88       8.156   0.712  -0.106  1.00 98.80           C
+ATOM    657  O   VAL A  88       8.396  -0.497  -0.155  1.00 98.68           O
+ATOM    658  CB  VAL A  88      10.417   1.684   0.495  1.00 98.86           C
+ATOM    659  CG1 VAL A  88      10.596   2.365  -0.862  1.00 98.52           C
+ATOM    660  CG2 VAL A  88      11.237   2.473   1.528  1.00 98.62           C
+ATOM    661  N   ILE A  89       7.242   1.306  -0.880  1.00 98.77           N
+ATOM    662  CA  ILE A  89       6.351   0.606  -1.821  1.00 98.69           C
+ATOM    663  C   ILE A  89       6.478   1.226  -3.206  1.00 98.78           C
+ATOM    664  O   ILE A  89       6.383   2.440  -3.366  1.00 98.61           O
+ATOM    665  CB  ILE A  89       4.880   0.635  -1.333  1.00 97.59           C
+ATOM    666  CG1 ILE A  89       4.746   0.012   0.070  1.00 88.88           C
+ATOM    667  CG2 ILE A  89       3.958  -0.106  -2.323  1.00 88.81           C
+ATOM    668  CD1 ILE A  89       3.349   0.111   0.680  1.00 86.89           C
+ATOM    669  N   GLN A  90       6.652   0.386  -4.218  1.00 98.81           N
+ATOM    670  CA  GLN A  90       6.406   0.754  -5.604  1.00 98.88           C
+ATOM    671  C   GLN A  90       4.898   0.646  -5.871  1.00 98.81           C
+ATOM    672  O   GLN A  90       4.321  -0.435  -5.720  1.00 98.79           O
+ATOM    673  CB  GLN A  90       7.175  -0.173  -6.545  1.00 98.81           C
+ATOM    674  CG  GLN A  90       8.695  -0.007  -6.446  1.00 98.04           C
+ATOM    675  CD  GLN A  90       9.430  -1.094  -7.226  1.00 97.67           C
+ATOM    676  OE1 GLN A  90       8.998  -2.215  -7.366  1.00 93.96           O
+ATOM    677  NE2 GLN A  90      10.586  -0.811  -7.758  1.00 92.04           N
+ATOM    678  N   THR A  91       4.252   1.738  -6.267  1.00 98.45           N
+ATOM    679  CA  THR A  91       2.822   1.787  -6.595  1.00 98.56           C
+ATOM    680  C   THR A  91       2.584   1.438  -8.073  1.00 98.37           C
+ATOM    681  O   THR A  91       3.529   1.318  -8.846  1.00 98.35           O
+ATOM    682  CB  THR A  91       2.227   3.155  -6.235  1.00 98.62           C
+ATOM    683  OG1 THR A  91       2.829   4.171  -7.000  1.00 98.01           O
+ATOM    684  CG2 THR A  91       2.427   3.496  -4.764  1.00 97.86           C
+ATOM    685  N   HIS A  92       1.313   1.279  -8.480  1.00 98.41           N
+ATOM    686  CA  HIS A  92       0.918   1.033  -9.870  1.00 98.49           C
+ATOM    687  C   HIS A  92       1.513  -0.268 -10.441  1.00 98.46           C
+ATOM    688  O   HIS A  92       2.021  -0.304 -11.558  1.00 97.91           O
+ATOM    689  CB  HIS A  92       1.222   2.262 -10.752  1.00 98.34           C
+ATOM    690  CG  HIS A  92       0.622   3.557 -10.254  1.00 98.39           C
+ATOM    691  ND1 HIS A  92       1.029   4.286  -9.164  1.00 96.66           N
+ATOM    692  CD2 HIS A  92      -0.432   4.229 -10.805  1.00 96.90           C
+ATOM    693  CE1 HIS A  92       0.230   5.364  -9.051  1.00 97.02           C
+ATOM    694  NE2 HIS A  92      -0.665   5.373 -10.040  1.00 97.12           N
+ATOM    695  N   LYS A  93       1.463  -1.367  -9.658  1.00 98.77           N
+ATOM    696  CA  LYS A  93       2.042  -2.674 -10.007  1.00 98.61           C
+ATOM    697  C   LYS A  93       1.018  -3.718 -10.439  1.00 98.64           C
+ATOM    698  O   LYS A  93       1.345  -4.898 -10.491  1.00 98.27           O
+ATOM    699  CB  LYS A  93       2.932  -3.167  -8.849  1.00 98.71           C
+ATOM    700  CG  LYS A  93       4.183  -2.306  -8.629  1.00 98.37           C
+ATOM    701  CD  LYS A  93       5.039  -2.255  -9.896  1.00 97.52           C
+ATOM    702  CE  LYS A  93       6.329  -1.481  -9.694  1.00 96.25           C
+ATOM    703  NZ  LYS A  93       7.100  -1.457 -10.956  1.00 93.38           N
+ATOM    704  N   GLU A  94      -0.207  -3.313 -10.790  1.00 98.62           N
+ATOM    705  CA  GLU A  94      -1.246  -4.232 -11.259  1.00 98.65           C
+ATOM    706  C   GLU A  94      -0.802  -5.032 -12.498  1.00 98.41           C
+ATOM    707  O   GLU A  94      -1.005  -6.239 -12.552  1.00 97.72           O
+ATOM    708  CB  GLU A  94      -2.541  -3.453 -11.540  1.00 98.60           C
+ATOM    709  CG  GLU A  94      -3.657  -4.358 -12.085  1.00 98.37           C
+ATOM    710  CD  GLU A  94      -5.046  -3.702 -12.138  1.00 98.35           C
+ATOM    711  OE1 GLU A  94      -6.041  -4.444 -11.924  1.00 96.72           O
+ATOM    712  OE2 GLU A  94      -5.140  -2.474 -12.348  1.00 96.81           O
+ATOM    713  N   GLU A  95      -0.155  -4.385 -13.478  1.00 98.31           N
+ATOM    714  CA  GLU A  95       0.283  -5.035 -14.717  1.00 98.07           C
+ATOM    715  C   GLU A  95       1.341  -6.121 -14.493  1.00 97.94           C
+ATOM    716  O   GLU A  95       1.449  -7.041 -15.296  1.00 96.76           O
+ATOM    717  CB  GLU A  95       0.823  -3.986 -15.710  1.00 97.28           C
+ATOM    718  CG  GLU A  95      -0.252  -2.981 -16.165  1.00 90.66           C
+ATOM    719  CD  GLU A  95       0.224  -2.027 -17.284  1.00 85.23           C
+ATOM    720  OE1 GLU A  95      -0.638  -1.306 -17.830  1.00 77.70           O
+ATOM    721  OE2 GLU A  95       1.436  -2.012 -17.621  1.00 76.62           O
+ATOM    722  N   ASP A  96       2.104  -6.066 -13.394  1.00 97.55           N
+ATOM    723  CA  ASP A  96       3.138  -7.053 -13.064  1.00 97.08           C
+ATOM    724  C   ASP A  96       2.548  -8.399 -12.590  1.00 96.57           C
+ATOM    725  O   ASP A  96       3.293  -9.371 -12.448  1.00 94.33           O
+ATOM    726  CB  ASP A  96       4.092  -6.503 -11.984  1.00 96.38           C
+ATOM    727  CG  ASP A  96       4.986  -5.298 -12.362  1.00 95.46           C
+ATOM    728  OD1 ASP A  96       4.952  -4.807 -13.501  1.00 93.20           O
+ATOM    729  OD2 ASP A  96       5.759  -4.877 -11.466  1.00 93.07           O
+ATOM    730  N   LEU A  97       1.231  -8.458 -12.308  1.00 97.16           N
+ATOM    731  CA  LEU A  97       0.546  -9.658 -11.805  1.00 95.98           C
+ATOM    732  C   LEU A  97       0.032 -10.585 -12.916  1.00 92.54           C
+ATOM    733  O   LEU A  97      -0.512 -11.648 -12.594  1.00 86.37           O
+ATOM    734  CB  LEU A  97      -0.606  -9.225 -10.881  1.00 96.48           C
+ATOM    735  CG  LEU A  97      -0.174  -8.518  -9.582  1.00 96.86           C
+ATOM    736  CD1 LEU A  97      -1.408  -7.994  -8.851  1.00 95.83           C
+ATOM    737  CD2 LEU A  97       0.552  -9.466  -8.638  1.00 96.21           C
+ATOM    738  N   TYR A  98       0.184 -10.219 -14.200  1.00 95.14           N
+ATOM    739  CA  TYR A  98      -0.395 -10.922 -15.349  1.00 92.11           C
+ATOM    740  C   TYR A  98       0.623 -11.307 -16.426  1.00 87.67           C
+ATOM    741  O   TYR A  98       1.588 -10.555 -16.634  1.00 78.18           O
+ATOM    742  CB  TYR A  98      -1.505 -10.070 -15.970  1.00 88.20           C
+ATOM    743  CG  TYR A  98      -2.655  -9.749 -15.035  1.00 87.41           C
+ATOM    744  CD1 TYR A  98      -3.620 -10.728 -14.748  1.00 83.00           C
+ATOM    745  CD2 TYR A  98      -2.746  -8.469 -14.448  1.00 84.44           C
+ATOM    746  CE1 TYR A  98      -4.688 -10.435 -13.877  1.00 79.87           C
+ATOM    747  CE2 TYR A  98      -3.809  -8.180 -13.578  1.00 84.30           C
+ATOM    748  CZ  TYR A  98      -4.780  -9.157 -13.301  1.00 80.57           C
+ATOM    749  OH  TYR A  98      -5.818  -8.870 -12.475  1.00 77.15           O
+ATOM    750  OXT TYR A  98       0.385 -12.353 -17.052  1.00 76.15           O
+TER
+END

weight/datasets/alphafold3pdb/1ghqB.pdb

@@ -0,0 +1,991 @@
+PARENT N/A
+ATOM      1  N   ALA A   1      -2.114  17.817 -24.274  1.00 76.71           N
+ATOM      2  CA  ALA A   1      -2.708  17.331 -23.027  1.00 87.45           C
+ATOM      3  C   ALA A   1      -1.669  16.627 -22.157  1.00 91.57           C
+ATOM      4  O   ALA A   1      -0.708  16.064 -22.677  1.00 86.98           O
+ATOM      5  CB  ALA A   1      -3.852  16.368 -23.329  1.00 78.05           C
+ATOM      6  N   ILE A   2      -1.860  16.667 -20.846  1.00 92.56           N
+ATOM      7  CA  ILE A   2      -0.935  16.032 -19.915  1.00 95.04           C
+ATOM      8  C   ILE A   2      -1.245  14.539 -19.833  1.00 95.89           C
+ATOM      9  O   ILE A   2      -2.406  14.147 -19.710  1.00 94.72           O
+ATOM     10  CB  ILE A   2      -1.068  16.653 -18.515  1.00 93.96           C
+ATOM     11  CG1 ILE A   2      -0.874  18.168 -18.597  1.00 91.21           C
+ATOM     12  CG2 ILE A   2      -0.053  16.034 -17.571  1.00 91.04           C
+ATOM     13  CD1 ILE A   2      -1.146  18.891 -17.289  1.00 87.26           C
+ATOM     14  N   SER A   3      -0.207  13.715 -19.889  1.00 97.48           N
+ATOM     15  CA  SER A   3      -0.395  12.265 -19.840  1.00 97.37           C
+ATOM     16  C   SER A   3       0.672  11.568 -19.009  1.00 97.70           C
+ATOM     17  O   SER A   3       1.736  12.133 -18.739  1.00 97.15           O
+ATOM     18  CB  SER A   3      -0.394  11.687 -21.251  1.00 95.77           C
+ATOM     19  OG  SER A   3       0.848  11.910 -21.889  1.00 89.24           O
+ATOM     20  N   CYS A   4       0.378  10.344 -18.589  1.00 98.01           N
+ATOM     21  CA  CYS A   4       1.298   9.543 -17.802  1.00 98.05           C
+ATOM     22  C   CYS A   4       2.006   8.512 -18.674  1.00 97.64           C
+ATOM     23  O   CYS A   4       1.514   8.138 -19.736  1.00 96.82           O
+ATOM     24  CB  CYS A   4       0.552   8.805 -16.692  1.00 98.21           C
+ATOM     25  SG  CYS A   4       0.001   9.835 -15.318  1.00 98.03           S
+ATOM     26  N   GLY A   5       3.147   8.058 -18.214  1.00 97.61           N
+ATOM     27  CA  GLY A   5       3.884   7.040 -18.928  1.00 97.14           C
+ATOM     28  C   GLY A   5       3.250   5.688 -18.649  1.00 97.62           C
+ATOM     29  O   GLY A   5       2.259   5.594 -17.929  1.00 97.32           O
+ATOM     30  N   SER A   6       3.835   4.628 -19.198  1.00 97.50           N
+ATOM     31  CA  SER A   6       3.311   3.286 -18.989  1.00 97.35           C
+ATOM     32  C   SER A   6       3.249   2.949 -17.498  1.00 97.87           C
+ATOM     33  O   SER A   6       4.145   3.312 -16.738  1.00 97.46           O
+ATOM     34  CB  SER A   6       4.205   2.269 -19.705  1.00 96.02           C
+ATOM     35  OG  SER A   6       3.710   0.952 -19.552  1.00 83.23           O
+ATOM     36  N   PRO A   7       2.185   2.270 -17.059  1.00 97.85           N
+ATOM     37  CA  PRO A   7       2.063   1.902 -15.647  1.00 97.93           C
+ATOM     38  C   PRO A   7       3.223   1.005 -15.228  1.00 98.08           C
+ATOM     39  O   PRO A   7       3.728   0.226 -16.037  1.00 97.64           O
+ATOM     40  CB  PRO A   7       0.735   1.143 -15.597  1.00 97.54           C
+ATOM     41  CG  PRO A   7      -0.045   1.725 -16.738  1.00 96.10           C
+ATOM     42  CD  PRO A   7       0.989   1.853 -17.825  1.00 97.61           C
+ATOM     43  N   PRO A   8       3.668   1.108 -13.962  1.00 97.82           N
+ATOM     44  CA  PRO A   8       4.763   0.258 -13.486  1.00 97.63           C
+ATOM     45  C   PRO A   8       4.387  -1.211 -13.676  1.00 98.00           C
+ATOM     46  O   PRO A   8       3.236  -1.583 -13.473  1.00 97.82           O
+ATOM     47  CB  PRO A   8       4.880   0.637 -12.012  1.00 96.68           C
+ATOM     48  CG  PRO A   8       4.416   2.064 -11.988  1.00 94.32           C
+ATOM     49  CD  PRO A   8       3.232   2.048 -12.917  1.00 97.11           C
+ATOM     50  N   PRO A   9       5.336  -2.053 -14.067  1.00 97.85           N
+ATOM     51  CA  PRO A   9       5.051  -3.469 -14.283  1.00 97.57           C
+ATOM     52  C   PRO A   9       4.819  -4.248 -12.994  1.00 97.92           C
+ATOM     53  O   PRO A   9       5.147  -3.783 -11.904  1.00 97.38           O
+ATOM     54  CB  PRO A   9       6.294  -3.955 -15.028  1.00 96.57           C
+ATOM     55  CG  PRO A   9       7.378  -3.126 -14.413  1.00 95.02           C
+ATOM     56  CD  PRO A   9       6.756  -1.748 -14.356  1.00 97.01           C
+ATOM     57  N   ILE A  10       4.239  -5.437 -13.135  1.00 98.19           N
+ATOM     58  CA  ILE A  10       3.986  -6.305 -11.997  1.00 98.28           C
+ATOM     59  C   ILE A  10       4.221  -7.748 -12.440  1.00 98.03           C
+ATOM     60  O   ILE A  10       3.800  -8.154 -13.523  1.00 97.57           O
+ATOM     61  CB  ILE A  10       2.542  -6.145 -11.465  1.00 98.22           C
+ATOM     62  CG1 ILE A  10       2.368  -6.946 -10.170  1.00 97.62           C
+ATOM     63  CG2 ILE A  10       1.522  -6.584 -12.520  1.00 96.33           C
+ATOM     64  CD1 ILE A  10       1.041  -6.713  -9.479  1.00 96.76           C
+ATOM     65  N   LEU A  11       4.903  -8.520 -11.599  1.00 97.84           N
+ATOM     66  CA  LEU A  11       5.171  -9.919 -11.906  1.00 97.66           C
+ATOM     67  C   LEU A  11       4.084 -10.792 -11.293  1.00 97.99           C
+ATOM     68  O   LEU A  11       3.597 -10.511 -10.200  1.00 97.42           O
+ATOM     69  CB  LEU A  11       6.538 -10.340 -11.358  1.00 96.72           C
+ATOM     70  CG  LEU A  11       7.764  -9.663 -11.980  1.00 88.10           C
+ATOM     71  CD1 LEU A  11       9.024 -10.138 -11.258  1.00 84.79           C
+ATOM     72  CD2 LEU A  11       7.842  -9.995 -13.461  1.00 84.66           C
+ATOM     73  N   ASN A  12       3.707 -11.846 -12.005  1.00 97.97           N
+ATOM     74  CA  ASN A  12       2.682 -12.779 -11.546  1.00 98.16           C
+ATOM     75  C   ASN A  12       1.324 -12.113 -11.349  1.00 98.34           C
+ATOM     76  O   ASN A  12       0.496 -12.563 -10.547  1.00 97.89           O
+ATOM     77  CB  ASN A  12       3.129 -13.446 -10.234  1.00 97.86           C
+ATOM     78  CG  ASN A  12       4.427 -14.208 -10.390  1.00 96.60           C
+ATOM     79  OD1 ASN A  12       4.525 -15.130 -11.205  1.00 89.30           O
+ATOM     80  ND2 ASN A  12       5.437 -13.819  -9.628  1.00 87.82           N
+ATOM     81  N   GLY A  13       1.106 -11.026 -12.093  1.00 98.32           N
+ATOM     82  CA  GLY A  13      -0.141 -10.306 -12.009  1.00 98.17           C
+ATOM     83  C   GLY A  13      -0.545  -9.752 -13.361  1.00 98.14           C
+ATOM     84  O   GLY A  13       0.070 -10.064 -14.380  1.00 97.47           O
+ATOM     85  N   ARG A  14      -1.583  -8.934 -13.367  1.00 98.47           N
+ATOM     86  CA  ARG A  14      -2.086  -8.338 -14.592  1.00 98.31           C
+ATOM     87  C   ARG A  14      -2.457  -6.884 -14.385  1.00 98.57           C
+ATOM     88  O   ARG A  14      -2.707  -6.450 -13.257  1.00 98.24           O
+ATOM     89  CB  ARG A  14      -3.321  -9.100 -15.082  1.00 96.79           C
+ATOM     90  CG  ARG A  14      -3.087 -10.579 -15.362  1.00 83.59           C
+ATOM     91  CD  ARG A  14      -4.395 -11.286 -15.692  1.00 79.94           C
+ATOM     92  NE  ARG A  14      -4.193 -12.713 -15.925  1.00 67.95           N
+ATOM     93  CZ  ARG A  14      -5.171 -13.583 -16.139  1.00 59.80           C
+ATOM     94  NH1 ARG A  14      -6.433 -13.180 -16.148  1.00 54.20           N
+ATOM     95  NH2 ARG A  14      -4.887 -14.867 -16.332  1.00 51.00           N
+ATOM     96  N   ILE A  15      -2.470  -6.129 -15.477  1.00 98.33           N
+ATOM     97  CA  ILE A  15      -2.842  -4.722 -15.441  1.00 98.25           C
+ATOM     98  C   ILE A  15      -4.056  -4.555 -16.342  1.00 98.07           C
+ATOM     99  O   ILE A  15      -4.093  -5.106 -17.447  1.00 96.82           O
+ATOM    100  CB  ILE A  15      -1.696  -3.823 -15.958  1.00 97.88           C
+ATOM    101  CG1 ILE A  15      -0.427  -4.067 -15.133  1.00 95.84           C
+ATOM    102  CG2 ILE A  15      -2.102  -2.363 -15.883  1.00 95.55           C
+ATOM    103  CD1 ILE A  15       0.783  -3.293 -15.607  1.00 94.50           C
+ATOM    104  N   SER A  16      -5.063  -3.821 -15.874  1.00 97.90           N
+ATOM    105  CA  SER A  16      -6.267  -3.611 -16.653  1.00 97.46           C
+ATOM    106  C   SER A  16      -5.958  -2.919 -17.977  1.00 97.17           C
+ATOM    107  O   SER A  16      -4.931  -2.253 -18.121  1.00 95.18           O
+ATOM    108  CB  SER A  16      -7.272  -2.773 -15.860  1.00 96.13           C
+ATOM    109  OG  SER A  16      -6.761  -1.485 -15.577  1.00 93.33           O
+ATOM    110  N   TYR A  17      -6.857  -3.075 -18.942  1.00 95.86           N
+ATOM    111  CA  TYR A  17      -6.680  -2.469 -20.249  1.00 95.82           C
+ATOM    112  C   TYR A  17      -6.605  -0.944 -20.164  1.00 95.95           C
+ATOM    113  O   TYR A  17      -7.286  -0.323 -19.351  1.00 94.71           O
+ATOM    114  CB  TYR A  17      -7.846  -2.843 -21.171  1.00 94.72           C
+ATOM    115  CG  TYR A  17      -7.838  -2.090 -22.478  1.00 89.36           C
+ATOM    116  CD1 TYR A  17      -6.999  -2.473 -23.530  1.00 86.30           C
+ATOM    117  CD2 TYR A  17      -8.627  -0.950 -22.655  1.00 85.16           C
+ATOM    118  CE1 TYR A  17      -6.957  -1.747 -24.723  1.00 80.49           C
+ATOM    119  CE2 TYR A  17      -8.584  -0.221 -23.845  1.00 80.47           C
+ATOM    120  CZ  TYR A  17      -7.748  -0.619 -24.867  1.00 79.47           C
+ATOM    121  OH  TYR A  17      -7.702   0.097 -26.038  1.00 74.24           O
+ATOM    122  N   TYR A  18      -5.790  -0.362 -21.003  1.00 96.37           N
+ATOM    123  CA  TYR A  18      -5.669   1.082 -21.071  1.00 96.21           C
+ATOM    124  C   TYR A  18      -5.194   1.456 -22.470  1.00 96.16           C
+ATOM    125  O   TYR A  18      -4.540   0.656 -23.143  1.00 94.63           O
+ATOM    126  CB  TYR A  18      -4.685   1.607 -20.012  1.00 95.70           C
+ATOM    127  CG  TYR A  18      -3.253   1.149 -20.197  1.00 96.35           C
+ATOM    128  CD1 TYR A  18      -2.388   1.822 -21.055  1.00 94.49           C
+ATOM    129  CD2 TYR A  18      -2.766   0.044 -19.504  1.00 94.94           C
+ATOM    130  CE1 TYR A  18      -1.070   1.395 -21.224  1.00 93.22           C
+ATOM    131  CE2 TYR A  18      -1.461  -0.390 -19.666  1.00 93.79           C
+ATOM    132  CZ  TYR A  18      -0.611   0.286 -20.531  1.00 94.17           C
+ATOM    133  OH  TYR A  18       0.690  -0.137 -20.697  1.00 92.43           O
+ATOM    134  N   SER A  19      -5.540   2.654 -22.908  1.00 95.78           N
+ATOM    135  CA  SER A  19      -5.138   3.121 -24.225  1.00 95.18           C
+ATOM    136  C   SER A  19      -4.210   4.319 -24.065  1.00 95.65           C
+ATOM    137  O   SER A  19      -4.234   5.006 -23.040  1.00 94.17           O
+ATOM    138  CB  SER A  19      -6.368   3.520 -25.047  1.00 92.53           C
+ATOM    139  OG  SER A  19      -7.103   4.537 -24.401  1.00 82.32           O
+ATOM    140  N   THR A  20      -3.382   4.555 -25.073  1.00 96.16           N
+ATOM    141  CA  THR A  20      -2.451   5.668 -25.023  1.00 95.98           C
+ATOM    142  C   THR A  20      -2.931   6.758 -25.977  1.00 95.62           C
+ATOM    143  O   THR A  20      -3.549   6.460 -27.013  1.00 93.47           O
+ATOM    144  CB  THR A  20      -1.027   5.234 -25.428  1.00 94.34           C
+ATOM    145  OG1 THR A  20      -1.070   4.589 -26.706  1.00 87.33           O
+ATOM    146  CG2 THR A  20      -0.468   4.263 -24.395  1.00 85.61           C
+ATOM    147  N   PRO A  21      -2.676   8.018 -25.671  1.00 95.63           N
+ATOM    148  CA  PRO A  21      -1.990   8.492 -24.458  1.00 95.92           C
+ATOM    149  C   PRO A  21      -2.855   8.316 -23.208  1.00 96.57           C
+ATOM    150  O   PRO A  21      -4.079   8.347 -23.284  1.00 95.09           O
+ATOM    151  CB  PRO A  21      -1.726   9.963 -24.760  1.00 94.17           C
+ATOM    152  CG  PRO A  21      -2.902  10.338 -25.607  1.00 91.54           C
+ATOM    153  CD  PRO A  21      -3.029   9.152 -26.540  1.00 94.12           C
+ATOM    154  N   ILE A  22      -2.206   8.112 -22.063  1.00 97.12           N
+ATOM    155  CA  ILE A  22      -2.911   7.919 -20.806  1.00 97.56           C
+ATOM    156  C   ILE A  22      -3.145   9.282 -20.159  1.00 97.65           C
+ATOM    157  O   ILE A  22      -2.241   9.862 -19.559  1.00 97.13           O
+ATOM    158  CB  ILE A  22      -2.094   7.023 -19.847  1.00 97.64           C
+ATOM    159  CG1 ILE A  22      -1.749   5.707 -20.540  1.00 97.10           C
+ATOM    160  CG2 ILE A  22      -2.881   6.772 -18.571  1.00 96.83           C
+ATOM    161  CD1 ILE A  22      -0.867   4.781 -19.710  1.00 96.13           C
+ATOM    162  N   ALA A  23      -4.361   9.794 -20.292  1.00 97.33           N
+ATOM    163  CA  ALA A  23      -4.716  11.102 -19.770  1.00 97.24           C
+ATOM    164  C   ALA A  23      -4.832  11.172 -18.251  1.00 97.61           C
+ATOM    165  O   ALA A  23      -5.108  10.174 -17.584  1.00 97.34           O
+ATOM    166  CB  ALA A  23      -6.030  11.565 -20.398  1.00 96.17           C
+ATOM    167  N   VAL A  24      -4.611  12.369 -17.704  1.00 97.50           N
+ATOM    168  CA  VAL A  24      -4.760  12.586 -16.269  1.00 97.55           C
+ATOM    169  C   VAL A  24      -6.198  12.229 -15.917  1.00 97.22           C
+ATOM    170  O   VAL A  24      -7.129  12.590 -16.631  1.00 96.42           O
+ATOM    171  CB  VAL A  24      -4.488  14.064 -15.914  1.00 97.10           C
+ATOM    172  CG1 VAL A  24      -4.917  14.354 -14.483  1.00 94.27           C
+ATOM    173  CG2 VAL A  24      -3.010  14.373 -16.092  1.00 94.64           C
+ATOM    174  N   GLY A  25      -6.366  11.502 -14.808  1.00 97.58           N
+ATOM    175  CA  GLY A  25      -7.696  11.089 -14.398  1.00 97.24           C
+ATOM    176  C   GLY A  25      -7.951   9.623 -14.697  1.00 97.56           C
+ATOM    177  O   GLY A  25      -8.904   9.035 -14.183  1.00 96.94           O
+ATOM    178  N   THR A  26      -7.093   9.024 -15.506  1.00 97.67           N
+ATOM    179  CA  THR A  26      -7.229   7.619 -15.861  1.00 97.83           C
+ATOM    180  C   THR A  26      -6.847   6.729 -14.675  1.00 98.21           C
+ATOM    181  O   THR A  26      -5.854   6.975 -13.991  1.00 98.12           O
+ATOM    182  CB  THR A  26      -6.336   7.246 -17.057  1.00 97.56           C
+ATOM    183  OG1 THR A  26      -6.749   7.993 -18.207  1.00 95.59           O
+ATOM    184  CG2 THR A  26      -6.437   5.751 -17.367  1.00 95.89           C
+ATOM    185  N   VAL A  27      -7.654   5.689 -14.450  1.00 98.36           N
+ATOM    186  CA  VAL A  27      -7.392   4.734 -13.374  1.00 98.30           C
+ATOM    187  C   VAL A  27      -7.039   3.384 -13.985  1.00 98.38           C
+ATOM    188  O   VAL A  27      -7.726   2.905 -14.886  1.00 97.91           O
+ATOM    189  CB  VAL A  27      -8.635   4.544 -12.468  1.00 98.06           C
+ATOM    190  CG1 VAL A  27      -8.383   3.432 -11.461  1.00 96.35           C
+ATOM    191  CG2 VAL A  27      -8.962   5.847 -11.751  1.00 96.56           C
+ATOM    192  N   ILE A  28      -5.954   2.774 -13.511  1.00 98.42           N
+ATOM    193  CA  ILE A  28      -5.583   1.443 -13.972  1.00 98.35           C
+ATOM    194  C   ILE A  28      -5.600   0.538 -12.746  1.00 98.55           C
+ATOM    195  O   ILE A  28      -5.285   0.967 -11.638  1.00 98.28           O
+ATOM    196  CB  ILE A  28      -4.199   1.423 -14.677  1.00 97.19           C
+ATOM    197  CG1 ILE A  28      -3.105   1.940 -13.745  1.00 84.43           C
+ATOM    198  CG2 ILE A  28      -4.268   2.282 -15.943  1.00 78.91           C
+ATOM    199  CD1 ILE A  28      -2.360   0.851 -13.038  1.00 75.46           C
+ATOM    200  N   ARG A  29      -6.003  -0.713 -12.951  1.00 98.61           N
+ATOM    201  CA  ARG A  29      -6.105  -1.652 -11.839  1.00 98.61           C
+ATOM    202  C   ARG A  29      -5.188  -2.853 -12.000  1.00 98.75           C
+ATOM    203  O   ARG A  29      -4.981  -3.355 -13.105  1.00 98.51           O
+ATOM    204  CB  ARG A  29      -7.557  -2.128 -11.686  1.00 98.28           C
+ATOM    205  CG  ARG A  29      -8.551  -1.005 -11.419  1.00 89.07           C
+ATOM    206  CD  ARG A  29      -9.983  -1.527 -11.397  1.00 84.87           C
+ATOM    207  NE  ARG A  29     -10.952  -0.445 -11.257  1.00 74.07           N
+ATOM    208  CZ  ARG A  29     -11.197   0.206 -10.120  1.00 64.94           C
+ATOM    209  NH1 ARG A  29     -10.555  -0.115  -9.008  1.00 57.85           N
+ATOM    210  NH2 ARG A  29     -12.087   1.188 -10.093  1.00 57.93           N
+ATOM    211  N   TYR A  30      -4.643  -3.307 -10.866  1.00 98.74           N
+ATOM    212  CA  TYR A  30      -3.765  -4.463 -10.847  1.00 98.84           C
+ATOM    213  C   TYR A  30      -4.456  -5.646 -10.184  1.00 98.78           C
+ATOM    214  O   TYR A  30      -5.305  -5.477  -9.311  1.00 98.56           O
+ATOM    215  CB  TYR A  30      -2.482  -4.158 -10.066  1.00 98.81           C
+ATOM    216  CG  TYR A  30      -1.543  -3.173 -10.721  1.00 98.80           C
+ATOM    217  CD1 TYR A  30      -1.801  -1.800 -10.696  1.00 98.64           C
+ATOM    218  CD2 TYR A  30      -0.375  -3.613 -11.338  1.00 98.65           C
+ATOM    219  CE1 TYR A  30      -0.925  -0.899 -11.284  1.00 98.50           C
+ATOM    220  CE2 TYR A  30       0.506  -2.718 -11.924  1.00 98.49           C
+ATOM    221  CZ  TYR A  30       0.233  -1.370 -11.900  1.00 98.54           C
+ATOM    222  OH  TYR A  30       1.109  -0.480 -12.481  1.00 98.16           O
+ATOM    223  N   SER A  31      -4.088  -6.840 -10.605  1.00 98.72           N
+ATOM    224  CA  SER A  31      -4.629  -8.062 -10.024  1.00 98.67           C
+ATOM    225  C   SER A  31      -3.532  -9.112 -10.053  1.00 98.78           C
+ATOM    226  O   SER A  31      -2.566  -8.990 -10.807  1.00 98.50           O
+ATOM    227  CB  SER A  31      -5.848  -8.555 -10.816  1.00 98.02           C
+ATOM    228  OG  SER A  31      -5.495  -8.870 -12.146  1.00 93.58           O
+ATOM    229  N   CYS A  32      -3.660 -10.134  -9.211  1.00 98.66           N
+ATOM    230  CA  CYS A  32      -2.669 -11.203  -9.167  1.00 98.64           C
+ATOM    231  C   CYS A  32      -3.267 -12.541  -9.590  1.00 98.47           C
+ATOM    232  O   CYS A  32      -4.484 -12.732  -9.537  1.00 97.53           O
+ATOM    233  CB  CYS A  32      -2.096 -11.349  -7.754  1.00 98.62           C
+ATOM    234  SG  CYS A  32      -1.217  -9.901  -7.118  1.00 98.46           S
+ATOM    235  N   SER A  33      -2.400 -13.462  -9.990  1.00 97.45           N
+ATOM    236  CA  SER A  33      -2.842 -14.795 -10.365  1.00 96.59           C
+ATOM    237  C   SER A  33      -3.429 -15.456  -9.116  1.00 96.89           C
+ATOM    238  O   SER A  33      -3.113 -15.069  -7.990  1.00 95.45           O
+ATOM    239  CB  SER A  33      -1.663 -15.612 -10.894  1.00 93.40           C
+ATOM    240  OG  SER A  33      -1.121 -15.008 -12.062  1.00 78.25           O
+ATOM    241  N   GLY A  34      -4.290 -16.468  -9.332  1.00 93.30           N
+ATOM    242  CA  GLY A  34      -4.953 -17.145  -8.236  1.00 92.58           C
+ATOM    243  C   GLY A  34      -4.158 -17.578  -7.011  1.00 93.80           C
+ATOM    244  O   GLY A  34      -4.636 -17.446  -5.882  1.00 88.19           O
+ATOM    245  N   THR A  35      -2.944 -18.073  -7.217  1.00 96.55           N
+ATOM    246  CA  THR A  35      -2.132 -18.539  -6.091  1.00 97.37           C
+ATOM    247  C   THR A  35      -1.237 -17.458  -5.487  1.00 98.12           C
+ATOM    248  O   THR A  35      -0.340 -17.755  -4.697  1.00 97.38           O
+ATOM    249  CB  THR A  35      -1.240 -19.728  -6.512  1.00 95.19           C
+ATOM    250  OG1 THR A  35      -0.460 -19.351  -7.650  1.00 85.28           O
+ATOM    251  CG2 THR A  35      -2.110 -20.930  -6.869  1.00 83.48           C
+ATOM    252  N   PHE A  36      -1.500 -16.200  -5.858  1.00 98.54           N
+ATOM    253  CA  PHE A  36      -0.717 -15.089  -5.333  1.00 98.75           C
+ATOM    254  C   PHE A  36      -1.626 -14.096  -4.608  1.00 98.77           C
+ATOM    255  O   PHE A  36      -2.822 -14.015  -4.875  1.00 98.49           O
+ATOM    256  CB  PHE A  36       0.025 -14.356  -6.460  1.00 98.72           C
+ATOM    257  CG  PHE A  36       1.133 -15.160  -7.094  1.00 98.68           C
+ATOM    258  CD1 PHE A  36       0.848 -16.179  -7.995  1.00 98.17           C
+ATOM    259  CD2 PHE A  36       2.461 -14.892  -6.789  1.00 98.18           C
+ATOM    260  CE1 PHE A  36       1.873 -16.931  -8.573  1.00 97.67           C
+ATOM    261  CE2 PHE A  36       3.489 -15.637  -7.366  1.00 97.74           C
+ATOM    262  CZ  PHE A  36       3.198 -16.660  -8.251  1.00 97.78           C
+ATOM    263  N   ARG A  37      -1.042 -13.338  -3.686  1.00 98.81           N
+ATOM    264  CA  ARG A  37      -1.772 -12.322  -2.942  1.00 98.83           C
+ATOM    265  C   ARG A  37      -1.218 -10.952  -3.309  1.00 98.82           C
+ATOM    266  O   ARG A  37      -0.004 -10.764  -3.372  1.00 98.73           O
+ATOM    267  CB  ARG A  37      -1.627 -12.552  -1.434  1.00 98.67           C
+ATOM    268  CG  ARG A  37      -2.356 -13.801  -0.937  1.00 97.61           C
+ATOM    269  CD  ARG A  37      -3.860 -13.637  -1.074  1.00 95.29           C
+ATOM    270  NE  ARG A  37      -4.604 -14.780  -0.553  1.00 92.36           N
+ATOM    271  CZ  ARG A  37      -4.819 -15.910  -1.218  1.00 89.68           C
+ATOM    272  NH1 ARG A  37      -4.336 -16.064  -2.444  1.00 83.82           N
+ATOM    273  NH2 ARG A  37      -5.507 -16.894  -0.659  1.00 85.56           N
+ATOM    274  N   LEU A  38      -2.124  -9.994  -3.560  1.00 98.71           N
+ATOM    275  CA  LEU A  38      -1.714  -8.645  -3.927  1.00 98.73           C
+ATOM    276  C   LEU A  38      -1.356  -7.845  -2.676  1.00 98.70           C
+ATOM    277  O   LEU A  38      -2.120  -7.792  -1.711  1.00 98.61           O
+ATOM    278  CB  LEU A  38      -2.832  -7.947  -4.710  1.00 98.60           C
+ATOM    279  CG  LEU A  38      -2.476  -6.582  -5.306  1.00 97.72           C
+ATOM    280  CD1 LEU A  38      -3.154  -6.410  -6.657  1.00 95.40           C
+ATOM    281  CD2 LEU A  38      -2.885  -5.477  -4.350  1.00 95.18           C
+ATOM    282  N   ILE A  39      -0.170  -7.230  -2.704  1.00 98.84           N
+ATOM    283  CA  ILE A  39       0.326  -6.432  -1.589  1.00 98.80           C
+ATOM    284  C   ILE A  39       0.501  -4.999  -2.076  1.00 98.83           C
+ATOM    285  O   ILE A  39       1.380  -4.703  -2.876  1.00 98.69           O
+ATOM    286  CB  ILE A  39       1.687  -6.969  -1.095  1.00 98.77           C
+ATOM    287  CG1 ILE A  39       1.562  -8.448  -0.699  1.00 98.27           C
+ATOM    288  CG2 ILE A  39       2.189  -6.140   0.078  1.00 98.61           C
+ATOM    289  CD1 ILE A  39       0.596  -8.721   0.425  1.00 97.32           C
+ATOM    290  N   GLY A  40      -0.343  -4.092  -1.590  1.00 98.72           N
+ATOM    291  CA  GLY A  40      -0.282  -2.703  -1.999  1.00 98.72           C
+ATOM    292  C   GLY A  40      -1.597  -2.258  -2.624  1.00 98.71           C
+ATOM    293  O   GLY A  40      -2.518  -3.047  -2.788  1.00 98.42           O
+ATOM    294  N   GLU A  41      -1.682  -0.969  -2.976  1.00 98.44           N
+ATOM    295  CA  GLU A  41      -2.893  -0.427  -3.583  1.00 98.31           C
+ATOM    296  C   GLU A  41      -3.123  -1.044  -4.961  1.00 98.49           C
+ATOM    297  O   GLU A  41      -2.233  -1.057  -5.799  1.00 98.22           O
+ATOM    298  CB  GLU A  41      -2.774   1.094  -3.722  1.00 97.74           C
+ATOM    299  CG  GLU A  41      -2.601   1.852  -2.411  1.00 93.85           C
+ATOM    300  CD  GLU A  41      -3.850   1.846  -1.548  1.00 94.13           C
+ATOM    301  OE1 GLU A  41      -4.918   1.403  -2.024  1.00 90.48           O
+ATOM    302  OE2 GLU A  41      -3.767   2.296  -0.387  1.00 90.67           O
+ATOM    303  N   LYS A  42      -4.323  -1.556  -5.187  1.00 98.34           N
+ATOM    304  CA  LYS A  42      -4.639  -2.188  -6.458  1.00 98.31           C
+ATOM    305  C   LYS A  42      -4.950  -1.201  -7.582  1.00 98.55           C
+ATOM    306  O   LYS A  42      -4.879  -1.563  -8.753  1.00 98.14           O
+ATOM    307  CB  LYS A  42      -5.825  -3.149  -6.300  1.00 96.98           C
+ATOM    308  CG  LYS A  42      -7.153  -2.465  -6.025  1.00 89.85           C
+ATOM    309  CD  LYS A  42      -8.296  -3.475  -5.959  1.00 89.45           C
+ATOM    310  CE  LYS A  42      -9.618  -2.793  -5.705  1.00 77.30           C
+ATOM    311  NZ  LYS A  42     -10.745  -3.770  -5.633  1.00 68.91           N
+ATOM    312  N   SER A  43      -5.297   0.037  -7.220  1.00 98.43           N
+ATOM    313  CA  SER A  43      -5.628   1.041  -8.225  1.00 98.35           C
+ATOM    314  C   SER A  43      -4.672   2.219  -8.218  1.00 98.41           C
+ATOM    315  O   SER A  43      -4.380   2.792  -7.171  1.00 97.91           O
+ATOM    316  CB  SER A  43      -7.054   1.555  -8.000  1.00 97.66           C
+ATOM    317  OG  SER A  43      -8.005   0.518  -8.108  1.00 87.67           O
+ATOM    318  N   LEU A  44      -4.196   2.584  -9.406  1.00 98.46           N
+ATOM    319  CA  LEU A  44      -3.309   3.724  -9.558  1.00 98.41           C
+ATOM    320  C   LEU A  44      -4.024   4.788 -10.377  1.00 98.48           C
+ATOM    321  O   LEU A  44      -4.741   4.471 -11.329  1.00 98.11           O
+ATOM    322  CB  LEU A  44      -2.010   3.320 -10.268  1.00 98.14           C
+ATOM    323  CG  LEU A  44      -0.837   2.899  -9.381  1.00 95.93           C
+ATOM    324  CD1 LEU A  44      -1.236   1.726  -8.504  1.00 93.91           C
+ATOM    325  CD2 LEU A  44       0.357   2.535 -10.256  1.00 93.90           C
+ATOM    326  N   LEU A  45      -3.840   6.048 -10.002  1.00 98.43           N
+ATOM    327  CA  LEU A  45      -4.462   7.165 -10.694  1.00 98.47           C
+ATOM    328  C   LEU A  45      -3.405   8.036 -11.356  1.00 98.52           C
+ATOM    329  O   LEU A  45      -2.404   8.384 -10.738  1.00 98.39           O
+ATOM    330  CB  LEU A  45      -5.274   8.001  -9.700  1.00 98.22           C
+ATOM    331  CG  LEU A  45      -5.949   9.284 -10.235  1.00 96.34           C
+ATOM    332  CD1 LEU A  45      -7.058   8.917 -11.209  1.00 94.66           C
+ATOM    333  CD2 LEU A  45      -6.509  10.097  -9.069  1.00 94.57           C
+ATOM    334  N   CYS A  46      -3.643   8.383 -12.621  1.00 98.46           N
+ATOM    335  CA  CYS A  46      -2.714   9.264 -13.324  1.00 98.44           C
+ATOM    336  C   CYS A  46      -3.035  10.691 -12.877  1.00 98.45           C
+ATOM    337  O   CYS A  46      -4.162  11.155 -13.042  1.00 98.14           O
+ATOM    338  CB  CYS A  46      -2.896   9.142 -14.841  1.00 98.45           C
+ATOM    339  SG  CYS A  46      -1.887  10.284 -15.816  1.00 98.33           S
+ATOM    340  N   ILE A  47      -2.048  11.366 -12.300  1.00 98.44           N
+ATOM    341  CA  ILE A  47      -2.244  12.724 -11.813  1.00 98.36           C
+ATOM    342  C   ILE A  47      -1.126  13.646 -12.272  1.00 98.39           C
+ATOM    343  O   ILE A  47      -0.203  13.217 -12.958  1.00 98.07           O
+ATOM    344  CB  ILE A  47      -2.258  12.763 -10.271  1.00 98.05           C
+ATOM    345  CG1 ILE A  47      -0.891  12.331  -9.728  1.00 97.16           C
+ATOM    346  CG2 ILE A  47      -3.351  11.866  -9.729  1.00 96.63           C
+ATOM    347  CD1 ILE A  47      -0.739  12.479  -8.223  1.00 95.20           C
+ATOM    348  N   THR A  48      -1.227  14.917 -11.895  1.00 98.01           N
+ATOM    349  CA  THR A  48      -0.192  15.891 -12.200  1.00 97.94           C
+ATOM    350  C   THR A  48      -0.126  16.858 -11.024  1.00 97.48           C
+ATOM    351  O   THR A  48      -1.156  17.290 -10.509  1.00 96.23           O
+ATOM    352  CB  THR A  48      -0.482  16.676 -13.495  1.00 97.33           C
+ATOM    353  OG1 THR A  48       0.559  17.648 -13.696  1.00 94.47           O
+ATOM    354  CG2 THR A  48      -1.829  17.397 -13.420  1.00 94.07           C
+ATOM    355  N   LYS A  49       1.106  17.162 -10.590  1.00 96.99           N
+ATOM    356  CA  LYS A  49       1.289  18.092  -9.483  1.00 95.74           C
+ATOM    357  C   LYS A  49       1.766  19.464  -9.953  1.00 95.68           C
+ATOM    358  O   LYS A  49       1.722  20.430  -9.201  1.00 92.23           O
+ATOM    359  CB  LYS A  49       2.283  17.518  -8.465  1.00 93.54           C
+ATOM    360  CG  LYS A  49       1.779  16.268  -7.743  1.00 88.24           C
+ATOM    361  CD  LYS A  49       2.710  15.861  -6.614  1.00 83.76           C
+ATOM    362  CE  LYS A  49       4.065  15.420  -7.123  1.00 76.36           C
+ATOM    363  NZ  LYS A  49       4.960  14.983  -6.013  1.00 69.05           N
+ATOM    364  N   ASP A  50       2.217  19.530 -11.196  1.00 95.00           N
+ATOM    365  CA  ASP A  50       2.720  20.791 -11.724  1.00 94.83           C
+ATOM    366  C   ASP A  50       2.009  21.255 -12.994  1.00 95.20           C
+ATOM    367  O   ASP A  50       2.413  22.249 -13.601  1.00 92.27           O
+ATOM    368  CB  ASP A  50       4.225  20.680 -11.998  1.00 92.87           C
+ATOM    369  CG  ASP A  50       4.576  19.550 -12.960  1.00 89.71           C
+ATOM    370  OD1 ASP A  50       3.665  18.983 -13.586  1.00 85.62           O
+ATOM    371  OD2 ASP A  50       5.778  19.243 -13.085  1.00 85.58           O
+ATOM    372  N   LYS A  51       0.963  20.556 -13.392  1.00 94.89           N
+ATOM    373  CA  LYS A  51       0.208  20.897 -14.593  1.00 94.79           C
+ATOM    374  C   LYS A  51       1.063  20.811 -15.866  1.00 95.19           C
+ATOM    375  O   LYS A  51       0.711  21.387 -16.894  1.00 92.44           O
+ATOM    376  CB  LYS A  51      -0.363  22.319 -14.477  1.00 93.70           C
+ATOM    377  CG  LYS A  51      -1.292  22.529 -13.299  1.00 89.24           C
+ATOM    378  CD  LYS A  51      -2.555  21.698 -13.428  1.00 79.95           C
+ATOM    379  CE  LYS A  51      -3.536  22.000 -12.292  1.00 71.91           C
+ATOM    380  NZ  LYS A  51      -4.806  21.238 -12.428  1.00 63.58           N
+ATOM    381  N   VAL A  52       2.174  20.089 -15.776  1.00 94.48           N
+ATOM    382  CA  VAL A  52       3.066  19.929 -16.913  1.00 94.08           C
+ATOM    383  C   VAL A  52       3.282  18.460 -17.252  1.00 94.06           C
+ATOM    384  O   VAL A  52       3.113  18.044 -18.404  1.00 92.14           O
+ATOM    385  CB  VAL A  52       4.441  20.576 -16.649  1.00 92.67           C
+ATOM    386  CG1 VAL A  52       5.371  20.344 -17.827  1.00 88.33           C
+ATOM    387  CG2 VAL A  52       4.273  22.069 -16.392  1.00 89.23           C
+ATOM    388  N   ASP A  53       3.659  17.671 -16.236  1.00 95.28           N
+ATOM    389  CA  ASP A  53       3.905  16.255 -16.441  1.00 95.18           C
+ATOM    390  C   ASP A  53       2.924  15.380 -15.680  1.00 96.43           C
+ATOM    391  O   ASP A  53       2.432  15.750 -14.617  1.00 96.06           O
+ATOM    392  CB  ASP A  53       5.327  15.889 -16.006  1.00 92.54           C
+ATOM    393  CG  ASP A  53       6.385  16.630 -16.798  1.00 87.52           C
+ATOM    394  OD1 ASP A  53       6.341  16.582 -18.045  1.00 83.07           O
+ATOM    395  OD2 ASP A  53       7.264  17.256 -16.173  1.00 81.58           O
+ATOM    396  N   GLY A  54       2.637  14.200 -16.239  1.00 96.91           N
+ATOM    397  CA  GLY A  54       1.744  13.268 -15.588  1.00 97.36           C
+ATOM    398  C   GLY A  54       2.568  12.262 -14.803  1.00 97.50           C
+ATOM    399  O   GLY A  54       3.687  11.931 -15.192  1.00 96.85           O
+ATOM    400  N   THR A  55       2.028  11.790 -13.688  1.00 98.13           N
+ATOM    401  CA  THR A  55       2.727  10.819 -12.846  1.00 98.06           C
+ATOM    402  C   THR A  55       1.713   9.953 -12.114  1.00 98.29           C
+ATOM    403  O   THR A  55       0.589  10.377 -11.859  1.00 97.99           O
+ATOM    404  CB  THR A  55       3.629  11.530 -11.816  1.00 96.91           C
+ATOM    405  OG1 THR A  55       4.363  10.544 -11.071  1.00 91.82           O
+ATOM    406  CG2 THR A  55       2.794  12.357 -10.848  1.00 91.28           C
+ATOM    407  N   TRP A  56       2.098   8.713 -11.801  1.00 98.26           N
+ATOM    408  CA  TRP A  56       1.202   7.822 -11.078  1.00 98.37           C
+ATOM    409  C   TRP A  56       1.218   8.214  -9.607  1.00 97.91           C
+ATOM    410  O   TRP A  56       2.276   8.483  -9.047  1.00 97.17           O
+ATOM    411  CB  TRP A  56       1.641   6.369 -11.275  1.00 98.37           C
+ATOM    412  CG  TRP A  56       1.505   5.953 -12.713  1.00 98.47           C
+ATOM    413  CD1 TRP A  56       2.508   5.780 -13.629  1.00 98.13           C
+ATOM    414  CD2 TRP A  56       0.281   5.737 -13.426  1.00 98.44           C
+ATOM    415  NE1 TRP A  56       1.988   5.469 -14.855  1.00 98.06           N
+ATOM    416  CE2 TRP A  56       0.620   5.441 -14.765  1.00 98.26           C
+ATOM    417  CE3 TRP A  56      -1.079   5.774 -13.061  1.00 98.32           C
+ATOM    418  CZ2 TRP A  56      -0.357   5.182 -15.739  1.00 98.07           C
+ATOM    419  CZ3 TRP A  56      -2.041   5.514 -14.036  1.00 98.03           C
+ATOM    420  CH2 TRP A  56      -1.671   5.223 -15.358  1.00 98.01           C
+ATOM    421  N   ASP A  57       0.031   8.237  -8.987  1.00 97.95           N
+ATOM    422  CA  ASP A  57      -0.090   8.674  -7.600  1.00 97.45           C
+ATOM    423  C   ASP A  57       0.498   7.722  -6.565  1.00 96.95           C
+ATOM    424  O   ASP A  57       0.752   8.115  -5.429  1.00 95.53           O
+ATOM    425  CB  ASP A  57      -1.565   8.952  -7.258  1.00 97.25           C
+ATOM    426  CG  ASP A  57      -2.411   7.692  -7.222  1.00 97.22           C
+ATOM    427  OD1 ASP A  57      -2.069   6.701  -7.901  1.00 96.65           O
+ATOM    428  OD2 ASP A  57      -3.438   7.690  -6.513  1.00 95.71           O
+ATOM    429  N   LYS A  58       0.727   6.475  -6.963  1.00 97.03           N
+ATOM    430  CA  LYS A  58       1.266   5.473  -6.045  1.00 96.78           C
+ATOM    431  C   LYS A  58       2.177   4.508  -6.784  1.00 97.18           C
+ATOM    432  O   LYS A  58       2.112   4.396  -8.001  1.00 96.64           O
+ATOM    433  CB  LYS A  58       0.140   4.652  -5.408  1.00 95.05           C
+ATOM    434  CG  LYS A  58      -1.008   5.427  -4.826  1.00 91.57           C
+ATOM    435  CD  LYS A  58      -2.095   4.480  -4.338  1.00 89.82           C
+ATOM    436  CE  LYS A  58      -3.363   5.228  -3.938  1.00 85.64           C
+ATOM    437  NZ  LYS A  58      -3.992   5.900  -5.101  1.00 79.43           N
+ATOM    438  N   PRO A  59       3.023   3.785  -6.024  1.00 96.80           N
+ATOM    439  CA  PRO A  59       3.864   2.791  -6.680  1.00 96.82           C
+ATOM    440  C   PRO A  59       2.969   1.583  -6.957  1.00 97.71           C
+ATOM    441  O   PRO A  59       1.906   1.429  -6.350  1.00 97.61           O
+ATOM    442  CB  PRO A  59       4.927   2.487  -5.615  1.00 95.17           C
+ATOM    443  CG  PRO A  59       4.193   2.709  -4.336  1.00 92.42           C
+ATOM    444  CD  PRO A  59       3.401   3.957  -4.610  1.00 95.65           C
+ATOM    445  N   ALA A  60       3.376   0.732  -7.896  1.00 97.67           N
+ATOM    446  CA  ALA A  60       2.583  -0.442  -8.221  1.00 97.99           C
+ATOM    447  C   ALA A  60       2.625  -1.453  -7.077  1.00 98.29           C
+ATOM    448  O   ALA A  60       3.595  -1.508  -6.323  1.00 98.06           O
+ATOM    449  CB  ALA A  60       3.111  -1.096  -9.496  1.00 97.49           C
+ATOM    450  N   PRO A  61       1.566  -2.260  -6.925  1.00 98.40           N
+ATOM    451  CA  PRO A  61       1.561  -3.278  -5.873  1.00 98.60           C
+ATOM    452  C   PRO A  61       2.411  -4.437  -6.362  1.00 98.62           C
+ATOM    453  O   PRO A  61       2.921  -4.415  -7.485  1.00 98.30           O
+ATOM    454  CB  PRO A  61       0.083  -3.647  -5.771  1.00 98.57           C
+ATOM    455  CG  PRO A  61      -0.366  -3.530  -7.199  1.00 98.37           C
+ATOM    456  CD  PRO A  61       0.283  -2.242  -7.664  1.00 98.60           C
+ATOM    457  N   LYS A  62       2.574  -5.456  -5.527  1.00 98.73           N
+ATOM    458  CA  LYS A  62       3.324  -6.630  -5.923  1.00 98.53           C
+ATOM    459  C   LYS A  62       2.503  -7.880  -5.624  1.00 98.76           C
+ATOM    460  O   LYS A  62       1.569  -7.833  -4.824  1.00 98.57           O
+ATOM    461  CB  LYS A  62       4.665  -6.707  -5.173  1.00 97.26           C
+ATOM    462  CG  LYS A  62       4.543  -6.866  -3.668  1.00 86.09           C
+ATOM    463  CD  LYS A  62       5.915  -6.910  -3.001  1.00 85.71           C
+ATOM    464  CE  LYS A  62       5.798  -7.049  -1.492  1.00 74.09           C
+ATOM    465  NZ  LYS A  62       7.138  -7.074  -0.839  1.00 67.39           N
+ATOM    466  N   CYS A  63       2.829  -8.979  -6.271  1.00 98.89           N
+ATOM    467  CA  CYS A  63       2.129 -10.237  -6.059  1.00 98.88           C
+ATOM    468  C   CYS A  63       3.069 -11.202  -5.350  1.00 98.87           C
+ATOM    469  O   CYS A  63       4.162 -11.493  -5.845  1.00 98.59           O
+ATOM    470  CB  CYS A  63       1.680 -10.832  -7.397  1.00 98.81           C
+ATOM    471  SG  CYS A  63       0.451  -9.843  -8.293  1.00 98.71           S
+ATOM    472  N   GLU A  64       2.653 -11.702  -4.179  1.00 98.86           N
+ATOM    473  CA  GLU A  64       3.454 -12.648  -3.415  1.00 98.80           C
+ATOM    474  C   GLU A  64       2.795 -14.020  -3.438  1.00 98.88           C
+ATOM    475  O   GLU A  64       1.588 -14.138  -3.285  1.00 98.66           O
+ATOM    476  CB  GLU A  64       3.595 -12.207  -1.955  1.00 98.74           C
+ATOM    477  CG  GLU A  64       4.228 -10.846  -1.750  1.00 97.98           C
+ATOM    478  CD  GLU A  64       4.484 -10.550  -0.282  1.00 98.35           C
+ATOM    479  OE1 GLU A  64       3.705 -11.031   0.570  1.00 97.21           O
+ATOM    480  OE2 GLU A  64       5.465  -9.841   0.018  1.00 97.59           O
+ATOM    481  N   TYR A  65       3.598 -15.055  -3.613  1.00 98.73           N
+ATOM    482  CA  TYR A  65       3.076 -16.416  -3.619  1.00 98.75           C
+ATOM    483  C   TYR A  65       2.420 -16.637  -2.260  1.00 98.76           C
+ATOM    484  O   TYR A  65       3.027 -16.369  -1.215  1.00 98.56           O
+ATOM    485  CB  TYR A  65       4.205 -17.423  -3.825  1.00 98.54           C
+ATOM    486  CG  TYR A  65       3.710 -18.837  -4.044  1.00 97.21           C
+ATOM    487  CD1 TYR A  65       3.081 -19.200  -5.237  1.00 95.13           C
+ATOM    488  CD2 TYR A  65       3.855 -19.805  -3.060  1.00 94.64           C
+ATOM    489  CE1 TYR A  65       2.608 -20.486  -5.435  1.00 92.88           C
+ATOM    490  CE2 TYR A  65       3.384 -21.099  -3.249  1.00 92.63           C
+ATOM    491  CZ  TYR A  65       2.760 -21.444  -4.437  1.00 91.86           C
+ATOM    492  OH  TYR A  65       2.292 -22.716  -4.637  1.00 89.43           O
+ATOM    493  N   PHE A  66       1.189 -17.116  -2.258  1.00 98.79           N
+ATOM    494  CA  PHE A  66       0.441 -17.323  -1.028  1.00 98.61           C
+ATOM    495  C   PHE A  66       1.160 -18.166   0.017  1.00 98.69           C
+ATOM    496  O   PHE A  66       1.634 -19.262  -0.269  1.00 98.44           O
+ATOM    497  CB  PHE A  66      -0.915 -17.961  -1.339  1.00 98.27           C
+ATOM    498  CG  PHE A  66      -1.777 -18.187  -0.125  1.00 97.53           C
+ATOM    499  CD1 PHE A  66      -2.074 -17.136   0.739  1.00 96.41           C
+ATOM    500  CD2 PHE A  66      -2.295 -19.445   0.149  1.00 96.04           C
+ATOM    501  CE1 PHE A  66      -2.870 -17.337   1.859  1.00 94.61           C
+ATOM    502  CE2 PHE A  66      -3.097 -19.652   1.267  1.00 94.35           C
+ATOM    503  CZ  PHE A  66      -3.387 -18.596   2.122  1.00 93.78           C
+ATOM    504  N   ASN A  67       1.226 -17.634   1.240  1.00 98.79           N
+ATOM    505  CA  ASN A  67       1.847 -18.319   2.365  1.00 98.72           C
+ATOM    506  C   ASN A  67       0.760 -18.512   3.416  1.00 98.66           C
+ATOM    507  O   ASN A  67       0.441 -17.585   4.164  1.00 98.31           O
+ATOM    508  CB  ASN A  67       3.001 -17.489   2.939  1.00 98.59           C
+ATOM    509  CG  ASN A  67       3.645 -18.147   4.148  1.00 98.29           C
+ATOM    510  OD1 ASN A  67       3.280 -19.249   4.531  1.00 96.64           O
+ATOM    511  ND2 ASN A  67       4.612 -17.465   4.747  1.00 95.61           N
+ATOM    512  N   LYS A  68       0.195 -19.713   3.473  1.00 98.47           N
+ATOM    513  CA  LYS A  68      -0.876 -19.999   4.417  1.00 98.13           C
+ATOM    514  C   LYS A  68      -0.469 -19.919   5.885  1.00 98.12           C
+ATOM    515  O   LYS A  68      -1.325 -19.918   6.760  1.00 97.17           O
+ATOM    516  CB  LYS A  68      -1.470 -21.378   4.133  1.00 97.24           C
+ATOM    517  CG  LYS A  68      -0.519 -22.530   4.342  1.00 90.99           C
+ATOM    518  CD  LYS A  68      -1.187 -23.864   4.000  1.00 88.32           C
+ATOM    519  CE  LYS A  68      -0.247 -25.032   4.187  1.00 76.99           C
+ATOM    520  NZ  LYS A  68      -0.896 -26.332   3.820  1.00 69.33           N
+ATOM    521  N   TYR A  69       0.829 -19.856   6.143  1.00 98.39           N
+ATOM    522  CA  TYR A  69       1.326 -19.781   7.516  1.00 98.33           C
+ATOM    523  C   TYR A  69       1.586 -18.353   7.982  1.00 98.24           C
+ATOM    524  O   TYR A  69       1.878 -18.119   9.150  1.00 97.43           O
+ATOM    525  CB  TYR A  69       2.619 -20.593   7.645  1.00 98.16           C
+ATOM    526  CG  TYR A  69       2.456 -22.050   7.286  1.00 97.55           C
+ATOM    527  CD1 TYR A  69       1.664 -22.896   8.067  1.00 95.79           C
+ATOM    528  CD2 TYR A  69       3.074 -22.589   6.165  1.00 95.92           C
+ATOM    529  CE1 TYR A  69       1.495 -24.241   7.737  1.00 95.03           C
+ATOM    530  CE2 TYR A  69       2.913 -23.923   5.824  1.00 95.08           C
+ATOM    531  CZ  TYR A  69       2.127 -24.737   6.620  1.00 94.72           C
+ATOM    532  OH  TYR A  69       1.960 -26.069   6.284  1.00 92.77           O
+ATOM    533  N   SER A  70       1.470 -17.384   7.069  1.00 98.30           N
+ATOM    534  CA  SER A  70       1.715 -15.988   7.412  1.00 98.35           C
+ATOM    535  C   SER A  70       0.631 -15.421   8.326  1.00 98.24           C
+ATOM    536  O   SER A  70      -0.559 -15.632   8.100  1.00 97.49           O
+ATOM    537  CB  SER A  70       1.798 -15.134   6.144  1.00 97.75           C
+ATOM    538  OG  SER A  70       1.963 -13.770   6.461  1.00 90.01           O
+ATOM    539  N   SER A  71       1.073 -14.706   9.364  1.00 98.34           N
+ATOM    540  CA  SER A  71       0.162 -14.087  10.323  1.00 98.14           C
+ATOM    541  C   SER A  71       0.818 -12.817  10.854  1.00 98.38           C
+ATOM    542  O   SER A  71       1.938 -12.861  11.358  1.00 97.21           O
+ATOM    543  CB  SER A  71      -0.115 -15.049  11.481  1.00 96.27           C
+ATOM    544  OG  SER A  71      -1.003 -14.476  12.414  1.00 84.81           O
+ATOM    545  N   CYS A  72       0.123 -11.684  10.736  1.00 98.43           N
+ATOM    546  CA  CYS A  72       0.665 -10.413  11.194  1.00 98.59           C
+ATOM    547  C   CYS A  72       0.080  -9.979  12.535  1.00 98.48           C
+ATOM    548  O   CYS A  72      -1.063 -10.311  12.858  1.00 98.04           O
+ATOM    549  CB  CYS A  72       0.409  -9.327  10.145  1.00 98.61           C
+ATOM    550  SG  CYS A  72       1.329  -9.536   8.598  1.00 98.46           S
+ATOM    551  N   PRO A  73       0.858  -9.216  13.317  1.00 98.35           N
+ATOM    552  CA  PRO A  73       0.394  -8.744  14.620  1.00 98.11           C
+ATOM    553  C   PRO A  73      -0.545  -7.555  14.460  1.00 98.32           C
+ATOM    554  O   PRO A  73      -0.653  -6.977  13.381  1.00 97.95           O
+ATOM    555  CB  PRO A  73       1.695  -8.350  15.313  1.00 97.43           C
+ATOM    556  CG  PRO A  73       2.499  -7.802  14.180  1.00 96.05           C
+ATOM    557  CD  PRO A  73       2.250  -8.809  13.068  1.00 97.85           C
+ATOM    558  N   GLU A  74      -1.236  -7.190  15.531  1.00 97.98           N
+ATOM    559  CA  GLU A  74      -2.142  -6.052  15.500  1.00 97.84           C
+ATOM    560  C   GLU A  74      -1.325  -4.786  15.264  1.00 97.91           C
+ATOM    561  O   GLU A  74      -0.438  -4.464  16.045  1.00 97.28           O
+ATOM    562  CB  GLU A  74      -2.888  -5.940  16.835  1.00 96.93           C
+ATOM    563  CG  GLU A  74      -3.858  -4.764  16.952  1.00 89.59           C
+ATOM    564  CD  GLU A  74      -5.060  -4.905  16.031  1.00 89.04           C
+ATOM    565  OE1 GLU A  74      -5.550  -6.036  15.858  1.00 84.27           O
+ATOM    566  OE2 GLU A  74      -5.513  -3.876  15.489  1.00 84.47           O
+ATOM    567  N   PRO A  75      -1.610  -4.036  14.181  1.00 97.99           N
+ATOM    568  CA  PRO A  75      -0.852  -2.816  13.899  1.00 97.88           C
+ATOM    569  C   PRO A  75      -1.364  -1.666  14.763  1.00 97.64           C
+ATOM    570  O   PRO A  75      -2.569  -1.497  14.943  1.00 96.71           O
+ATOM    571  CB  PRO A  75      -1.124  -2.592  12.416  1.00 97.40           C
+ATOM    572  CG  PRO A  75      -2.528  -3.076  12.261  1.00 96.70           C
+ATOM    573  CD  PRO A  75      -2.546  -4.353  13.086  1.00 97.59           C
+ATOM    574  N   ILE A  76      -0.433  -0.884  15.314  1.00 97.34           N
+ATOM    575  CA  ILE A  76      -0.792   0.240  16.173  1.00 96.85           C
+ATOM    576  C   ILE A  76      -0.227   1.551  15.628  1.00 97.38           C
+ATOM    577  O   ILE A  76       0.954   1.634  15.308  1.00 96.61           O
+ATOM    578  CB  ILE A  76      -0.265   0.034  17.607  1.00 95.25           C
+ATOM    579  CG1 ILE A  76      -0.789  -1.278  18.187  1.00 92.26           C
+ATOM    580  CG2 ILE A  76      -0.672   1.210  18.491  1.00 92.01           C
+ATOM    581  CD1 ILE A  76      -2.294  -1.337  18.329  1.00 81.90           C
+ATOM    582  N   VAL A  77      -1.083   2.577  15.532  1.00 97.60           N
+ATOM    583  CA  VAL A  77      -0.674   3.887  15.045  1.00 97.90           C
+ATOM    584  C   VAL A  77      -1.069   4.940  16.080  1.00 97.83           C
+ATOM    585  O   VAL A  77      -2.235   5.319  16.176  1.00 97.38           O
+ATOM    586  CB  VAL A  77      -1.344   4.231  13.696  1.00 97.68           C
+ATOM    587  CG1 VAL A  77      -0.975   5.645  13.270  1.00 96.59           C
+ATOM    588  CG2 VAL A  77      -0.908   3.231  12.632  1.00 96.80           C
+ATOM    589  N   PRO A  78      -0.100   5.428  16.870  1.00 97.19           N
+ATOM    590  CA  PRO A  78      -0.375   6.445  17.882  1.00 96.80           C
+ATOM    591  C   PRO A  78      -1.021   7.673  17.241  1.00 96.94           C
+ATOM    592  O   PRO A  78      -0.566   8.155  16.207  1.00 95.82           O
+ATOM    593  CB  PRO A  78       1.007   6.757  18.450  1.00 95.99           C
+ATOM    594  CG  PRO A  78       1.722   5.446  18.321  1.00 95.08           C
+ATOM    595  CD  PRO A  78       1.316   4.981  16.941  1.00 96.68           C
+ATOM    596  N   GLY A  79      -2.090   8.176  17.848  1.00 96.82           N
+ATOM    597  CA  GLY A  79      -2.767   9.347  17.316  1.00 97.18           C
+ATOM    598  C   GLY A  79      -3.768   9.007  16.227  1.00 97.83           C
+ATOM    599  O   GLY A  79      -4.427   9.892  15.675  1.00 97.00           O
+ATOM    600  N   GLY A  80      -3.892   7.725  15.910  1.00 98.13           N
+ATOM    601  CA  GLY A  80      -4.815   7.287  14.887  1.00 98.08           C
+ATOM    602  C   GLY A  80      -5.637   6.101  15.361  1.00 98.16           C
+ATOM    603  O   GLY A  80      -5.513   5.663  16.503  1.00 97.52           O
+ATOM    604  N   TYR A  81      -6.480   5.580  14.476  1.00 97.90           N
+ATOM    605  CA  TYR A  81      -7.308   4.437  14.805  1.00 97.87           C
+ATOM    606  C   TYR A  81      -7.656   3.656  13.544  1.00 98.02           C
+ATOM    607  O   TYR A  81      -7.686   4.215  12.448  1.00 97.79           O
+ATOM    608  CB  TYR A  81      -8.592   4.862  15.531  1.00 97.38           C
+ATOM    609  CG  TYR A  81      -9.450   5.842  14.763  1.00 96.75           C
+ATOM    610  CD1 TYR A  81      -9.146   7.202  14.758  1.00 95.36           C
+ATOM    611  CD2 TYR A  81     -10.576   5.419  14.050  1.00 95.30           C
+ATOM    612  CE1 TYR A  81      -9.934   8.108  14.060  1.00 93.71           C
+ATOM    613  CE2 TYR A  81     -11.370   6.319  13.351  1.00 94.06           C
+ATOM    614  CZ  TYR A  81     -11.049   7.662  13.357  1.00 94.16           C
+ATOM    615  OH  TYR A  81     -11.827   8.557  12.666  1.00 91.61           O
+ATOM    616  N   LYS A  82      -7.915   2.381  13.716  1.00 97.97           N
+ATOM    617  CA  LYS A  82      -8.234   1.496  12.610  1.00 97.84           C
+ATOM    618  C   LYS A  82      -9.674   1.701  12.152  1.00 97.97           C
+ATOM    619  O   LYS A  82     -10.598   1.697  12.965  1.00 97.42           O
+ATOM    620  CB  LYS A  82      -8.008   0.049  13.062  1.00 96.93           C
+ATOM    621  CG  LYS A  82      -8.280  -1.009  12.019  1.00 89.40           C
+ATOM    622  CD  LYS A  82      -7.840  -2.397  12.536  1.00 89.54           C
+ATOM    623  CE  LYS A  82      -8.538  -2.753  13.830  1.00 80.68           C
+ATOM    624  NZ  LYS A  82      -8.100  -4.088  14.355  1.00 77.87           N
+ATOM    625  N   ILE A  83      -9.866   1.901  10.847  1.00 98.16           N
+ATOM    626  CA  ILE A  83     -11.214   2.080  10.305  1.00 97.98           C
+ATOM    627  C   ILE A  83     -11.626   0.913   9.416  1.00 97.79           C
+ATOM    628  O   ILE A  83     -12.777   0.834   8.980  1.00 96.02           O
+ATOM    629  CB  ILE A  83     -11.343   3.393   9.496  1.00 97.09           C
+ATOM    630  CG1 ILE A  83     -10.344   3.409   8.329  1.00 89.79           C
+ATOM    631  CG2 ILE A  83     -11.106   4.589  10.405  1.00 86.58           C
+ATOM    632  CD1 ILE A  83     -10.501   4.615   7.415  1.00 85.38           C
+ATOM    633  N   ARG A  84     -10.689   0.003   9.147  1.00 97.74           N
+ATOM    634  CA  ARG A  84     -10.976  -1.173   8.341  1.00 97.58           C
+ATOM    635  C   ARG A  84      -9.952  -2.256   8.638  1.00 97.51           C
+ATOM    636  O   ARG A  84      -8.765  -1.972   8.800  1.00 95.89           O
+ATOM    637  CB  ARG A  84     -10.950  -0.840   6.851  1.00 96.11           C
+ATOM    638  CG  ARG A  84     -11.255  -2.041   5.959  1.00 80.12           C
+ATOM    639  CD  ARG A  84     -11.333  -1.672   4.489  1.00 77.83           C
+ATOM    640  NE  ARG A  84     -11.631  -2.831   3.650  1.00 66.83           N
+ATOM    641  CZ  ARG A  84     -11.858  -2.797   2.344  1.00 58.52           C
+ATOM    642  NH1 ARG A  84     -11.817  -1.642   1.690  1.00 52.76           N
+ATOM    643  NH2 ARG A  84     -12.124  -3.906   1.681  1.00 50.12           N
+ATOM    644  N   GLY A  85     -10.426  -3.487   8.714  1.00 96.18           N
+ATOM    645  CA  GLY A  85      -9.546  -4.608   8.979  1.00 95.63           C
+ATOM    646  C   GLY A  85      -9.712  -5.115  10.400  1.00 95.61           C
+ATOM    647  O   GLY A  85      -9.893  -4.340  11.335  1.00 92.31           O
+ATOM    648  N   SER A  86      -9.641  -6.442  10.564  1.00 93.65           N
+ATOM    649  CA  SER A  86      -9.777  -7.044  11.881  1.00 92.77           C
+ATOM    650  C   SER A  86      -9.044  -8.381  11.932  1.00 93.81           C
+ATOM    651  O   SER A  86      -8.785  -8.998  10.899  1.00 90.22           O
+ATOM    652  CB  SER A  86     -11.254  -7.254  12.225  1.00 87.95           C
+ATOM    653  OG  SER A  86     -11.862  -8.145  11.305  1.00 76.55           O
+ATOM    654  N   THR A  87      -8.709  -8.814  13.134  1.00 93.97           N
+ATOM    655  CA  THR A  87      -7.999 -10.069  13.315  1.00 94.15           C
+ATOM    656  C   THR A  87      -8.901 -11.243  12.938  1.00 94.43           C
+ATOM    657  O   THR A  87     -10.137 -11.123  12.994  1.00 90.73           O
+ATOM    658  CB  THR A  87      -7.562 -10.243  14.784  1.00 90.45           C
+ATOM    659  OG1 THR A  87      -8.688 -10.031  15.646  1.00 80.03           O
+ATOM    660  CG2 THR A  87      -6.484  -9.227  15.124  1.00 79.85           C
+ATOM    661  N   PRO A  88      -8.356 -12.366  12.542  1.00 95.91           N
+ATOM    662  CA  PRO A  88      -6.918 -12.586  12.366  1.00 96.43           C
+ATOM    663  C   PRO A  88      -6.412 -11.996  11.051  1.00 97.10           C
+ATOM    664  O   PRO A  88      -7.151 -11.925  10.066  1.00 95.30           O
+ATOM    665  CB  PRO A  88      -6.804 -14.104  12.377  1.00 94.45           C
+ATOM    666  CG  PRO A  88      -8.072 -14.525  11.689  1.00 90.79           C
+ATOM    667  CD  PRO A  88      -9.113 -13.599  12.313  1.00 93.94           C
+ATOM    668  N   TYR A  89      -5.159 -11.557  11.043  1.00 98.22           N
+ATOM    669  CA  TYR A  89      -4.553 -10.965   9.857  1.00 98.36           C
+ATOM    670  C   TYR A  89      -3.708 -12.007   9.133  1.00 98.30           C
+ATOM    671  O   TYR A  89      -2.624 -12.358   9.583  1.00 97.62           O
+ATOM    672  CB  TYR A  89      -3.674  -9.780  10.249  1.00 98.25           C
+ATOM    673  CG  TYR A  89      -4.402  -8.697  11.004  1.00 98.19           C
+ATOM    674  CD1 TYR A  89      -5.484  -8.019  10.434  1.00 97.32           C
+ATOM    675  CD2 TYR A  89      -4.009  -8.335  12.295  1.00 97.34           C
+ATOM    676  CE1 TYR A  89      -6.155  -7.016  11.130  1.00 96.56           C
+ATOM    677  CE2 TYR A  89      -4.672  -7.330  12.993  1.00 96.59           C
+ATOM    678  CZ  TYR A  89      -5.739  -6.682  12.404  1.00 96.67           C
+ATOM    679  OH  TYR A  89      -6.397  -5.682  13.095  1.00 95.15           O
+ATOM    680  N   ARG A  90      -4.221 -12.487   8.010  1.00 98.56           N
+ATOM    681  CA  ARG A  90      -3.520 -13.476   7.206  1.00 98.41           C
+ATOM    682  C   ARG A  90      -2.914 -12.840   5.968  1.00 98.69           C
+ATOM    683  O   ARG A  90      -3.188 -11.683   5.639  1.00 98.44           O
+ATOM    684  CB  ARG A  90      -4.486 -14.591   6.819  1.00 97.80           C
+ATOM    685  CG  ARG A  90      -4.964 -15.425   8.002  1.00 92.58           C
+ATOM    686  CD  ARG A  90      -5.915 -16.523   7.565  1.00 82.07           C
+ATOM    687  NE  ARG A  90      -7.215 -16.003   7.167  1.00 72.27           N
+ATOM    688  CZ  ARG A  90      -8.339 -16.164   7.849  1.00 62.38           C
+ATOM    689  NH1 ARG A  90      -8.337 -16.868   8.969  1.00 56.70           N
+ATOM    690  NH2 ARG A  90      -9.466 -15.626   7.408  1.00 56.17           N
+ATOM    691  N   HIS A  91      -2.074 -13.588   5.274  1.00 98.47           N
+ATOM    692  CA  HIS A  91      -1.401 -13.109   4.076  1.00 98.65           C
+ATOM    693  C   HIS A  91      -2.363 -12.435   3.099  1.00 98.43           C
+ATOM    694  O   HIS A  91      -3.318 -13.048   2.632  1.00 98.18           O
+ATOM    695  CB  HIS A  91      -0.693 -14.277   3.392  1.00 98.58           C
+ATOM    696  CG  HIS A  91       0.250 -13.853   2.310  1.00 98.70           C
+ATOM    697  ND1 HIS A  91       0.838 -14.757   1.451  1.00 96.73           N
+ATOM    698  CD2 HIS A  91       0.716 -12.641   1.956  1.00 96.47           C
+ATOM    699  CE1 HIS A  91       1.632 -14.116   0.612  1.00 97.42           C
+ATOM    700  NE2 HIS A  91       1.575 -12.824   0.894  1.00 97.51           N
+ATOM    701  N   GLY A  92      -2.091 -11.164   2.794  1.00 98.57           N
+ATOM    702  CA  GLY A  92      -2.925 -10.444   1.853  1.00 98.32           C
+ATOM    703  C   GLY A  92      -3.987  -9.565   2.488  1.00 98.48           C
+ATOM    704  O   GLY A  92      -4.552  -8.694   1.822  1.00 98.02           O
+ATOM    705  N   ASP A  93      -4.274  -9.772   3.773  1.00 98.40           N
+ATOM    706  CA  ASP A  93      -5.271  -8.964   4.458  1.00 98.43           C
+ATOM    707  C   ASP A  93      -4.740  -7.539   4.625  1.00 98.56           C
+ATOM    708  O   ASP A  93      -3.539  -7.326   4.785  1.00 98.41           O
+ATOM    709  CB  ASP A  93      -5.612  -9.541   5.834  1.00 98.24           C
+ATOM    710  CG  ASP A  93      -6.393 -10.839   5.747  1.00 97.72           C
+ATOM    711  OD1 ASP A  93      -7.067 -11.069   4.718  1.00 96.56           O
+ATOM    712  OD2 ASP A  93      -6.346 -11.621   6.712  1.00 95.99           O
+ATOM    713  N   SER A  94      -5.657  -6.564   4.610  1.00 98.54           N
+ATOM    714  CA  SER A  94      -5.265  -5.170   4.754  1.00 98.44           C
+ATOM    715  C   SER A  94      -5.915  -4.502   5.956  1.00 98.54           C
+ATOM    716  O   SER A  94      -6.942  -4.955   6.465  1.00 98.23           O
+ATOM    717  CB  SER A  94      -5.628  -4.380   3.491  1.00 97.84           C
+ATOM    718  OG  SER A  94      -7.029  -4.314   3.323  1.00 90.86           O
+ATOM    719  N   VAL A  95      -5.287  -3.421   6.415  1.00 98.58           N
+ATOM    720  CA  VAL A  95      -5.799  -2.621   7.516  1.00 98.56           C
+ATOM    721  C   VAL A  95      -5.673  -1.172   7.081  1.00 98.66           C
+ATOM    722  O   VAL A  95      -4.658  -0.777   6.508  1.00 98.40           O
+ATOM    723  CB  VAL A  95      -4.995  -2.835   8.816  1.00 98.15           C
+ATOM    724  CG1 VAL A  95      -5.466  -1.853   9.888  1.00 93.70           C
+ATOM    725  CG2 VAL A  95      -5.184  -4.261   9.310  1.00 94.69           C
+ATOM    726  N   THR A  96      -6.722  -0.378   7.334  1.00 98.52           N
+ATOM    727  CA  THR A  96      -6.716   1.034   6.972  1.00 98.54           C
+ATOM    728  C   THR A  96      -6.881   1.887   8.222  1.00 98.56           C
+ATOM    729  O   THR A  96      -7.664   1.551   9.114  1.00 98.28           O
+ATOM    730  CB  THR A  96      -7.853   1.349   5.978  1.00 98.33           C
+ATOM    731  OG1 THR A  96      -7.682   0.561   4.796  1.00 96.48           O
+ATOM    732  CG2 THR A  96      -7.835   2.826   5.586  1.00 96.68           C
+ATOM    733  N   PHE A  97      -6.130   2.986   8.279  1.00 98.53           N
+ATOM    734  CA  PHE A  97      -6.171   3.885   9.421  1.00 98.62           C
+ATOM    735  C   PHE A  97      -6.662   5.286   9.098  1.00 98.64           C
+ATOM    736  O   PHE A  97      -6.658   5.709   7.937  1.00 98.42           O
+ATOM    737  CB  PHE A  97      -4.776   4.006  10.043  1.00 98.43           C
+ATOM    738  CG  PHE A  97      -4.267   2.751  10.687  1.00 98.16           C
+ATOM    739  CD1 PHE A  97      -4.581   2.464  12.008  1.00 96.88           C
+ATOM    740  CD2 PHE A  97      -3.478   1.858   9.978  1.00 96.73           C
+ATOM    741  CE1 PHE A  97      -4.114   1.299  12.611  1.00 95.37           C
+ATOM    742  CE2 PHE A  97      -3.014   0.694  10.576  1.00 95.35           C
+ATOM    743  CZ  PHE A  97      -3.328   0.418  11.889  1.00 95.39           C
+ATOM    744  N   ALA A  98      -7.083   6.003  10.136  1.00 98.51           N
+ATOM    745  CA  ALA A  98      -7.496   7.389  10.039  1.00 98.54           C
+ATOM    746  C   ALA A  98      -6.882   8.034  11.275  1.00 98.57           C
+ATOM    747  O   ALA A  98      -6.607   7.355  12.261  1.00 98.25           O
+ATOM    748  CB  ALA A  98      -9.018   7.529  10.073  1.00 98.13           C
+ATOM    749  N   CYS A  99      -6.655   9.359  11.229  1.00 98.59           N
+ATOM    750  CA  CYS A  99      -6.080  10.046  12.381  1.00 98.64           C
+ATOM    751  C   CYS A  99      -7.165  10.696  13.227  1.00 98.57           C
+ATOM    752  O   CYS A  99      -8.223  11.065  12.724  1.00 98.08           O
+ATOM    753  CB  CYS A  99      -5.078  11.103  11.921  1.00 98.56           C
+ATOM    754  SG  CYS A  99      -3.610  10.428  11.095  1.00 98.34           S
+ATOM    755  N   LYS A 100      -6.888  10.832  14.520  1.00 98.29           N
+ATOM    756  CA  LYS A 100      -7.824  11.453  15.434  1.00 97.96           C
+ATOM    757  C   LYS A 100      -7.870  12.960  15.185  1.00 97.93           C
+ATOM    758  O   LYS A 100      -7.053  13.502  14.445  1.00 97.09           O
+ATOM    759  CB  LYS A 100      -7.405  11.193  16.882  1.00 97.30           C
+ATOM    760  CG  LYS A 100      -7.444   9.726  17.269  1.00 93.68           C
+ATOM    761  CD  LYS A 100      -6.995   9.515  18.702  1.00 90.03           C
+ATOM    762  CE  LYS A 100      -7.030   8.039  19.083  1.00 82.77           C
+ATOM    763  NZ  LYS A 100      -6.567   7.813  20.478  1.00 74.78           N
+ATOM    764  N   THR A 101      -8.829  13.641  15.813  1.00 97.31           N
+ATOM    765  CA  THR A 101      -8.986  15.084  15.667  1.00 96.90           C
+ATOM    766  C   THR A 101      -7.681  15.815  16.015  1.00 96.63           C
+ATOM    767  O   THR A 101      -7.013  15.467  16.987  1.00 93.10           O
+ATOM    768  CB  THR A 101     -10.109  15.605  16.584  1.00 95.63           C
+ATOM    769  OG1 THR A 101     -11.309  14.882  16.316  1.00 84.45           O
+ATOM    770  CG2 THR A 101     -10.341  17.090  16.345  1.00 82.31           C
+ATOM    771  N   ASN A 102      -7.343  16.815  15.206  1.00 96.88           N
+ATOM    772  CA  ASN A 102      -6.141  17.612  15.391  1.00 96.61           C
+ATOM    773  C   ASN A 102      -4.844  16.897  15.007  1.00 97.00           C
+ATOM    774  O   ASN A 102      -3.756  17.387  15.296  1.00 95.17           O
+ATOM    775  CB  ASN A 102      -6.029  18.140  16.824  1.00 95.29           C
+ATOM    776  CG  ASN A 102      -7.151  19.095  17.175  1.00 89.38           C
+ATOM    777  OD1 ASN A 102      -7.548  19.930  16.360  1.00 80.22           O
+ATOM    778  ND2 ASN A 102      -7.661  18.989  18.393  1.00 77.29           N
+ATOM    779  N   PHE A 103      -4.964  15.750  14.362  1.00 97.67           N
+ATOM    780  CA  PHE A 103      -3.797  15.013  13.894  1.00 97.80           C
+ATOM    781  C   PHE A 103      -3.890  14.887  12.375  1.00 97.83           C
+ATOM    782  O   PHE A 103      -4.986  14.746  11.830  1.00 96.88           O
+ATOM    783  CB  PHE A 103      -3.720  13.620  14.511  1.00 97.49           C
+ATOM    784  CG  PHE A 103      -3.280  13.591  15.946  1.00 97.40           C
+ATOM    785  CD1 PHE A 103      -4.166  13.933  16.968  1.00 95.59           C
+ATOM    786  CD2 PHE A 103      -1.984  13.223  16.276  1.00 95.42           C
+ATOM    787  CE1 PHE A 103      -3.755  13.912  18.293  1.00 93.89           C
+ATOM    788  CE2 PHE A 103      -1.574  13.188  17.606  1.00 94.18           C
+ATOM    789  CZ  PHE A 103      -2.453  13.536  18.613  1.00 94.57           C
+ATOM    790  N   SER A 104      -2.748  14.942  11.703  1.00 98.14           N
+ATOM    791  CA  SER A 104      -2.715  14.787  10.261  1.00 97.94           C
+ATOM    792  C   SER A 104      -1.875  13.559   9.936  1.00 98.17           C
+ATOM    793  O   SER A 104      -0.949  13.218  10.674  1.00 97.45           O
+ATOM    794  CB  SER A 104      -2.123  16.033   9.587  1.00 96.67           C
+ATOM    795  OG  SER A 104      -0.843  16.321  10.087  1.00 83.83           O
+ATOM    796  N   MET A 105      -2.199  12.886   8.840  1.00 98.26           N
+ATOM    797  CA  MET A 105      -1.505  11.659   8.463  1.00 98.05           C
+ATOM    798  C   MET A 105      -0.310  11.818   7.535  1.00 97.92           C
+ATOM    799  O   MET A 105      -0.334  12.609   6.595  1.00 97.13           O
+ATOM    800  CB  MET A 105      -2.500  10.689   7.828  1.00 97.30           C
+ATOM    801  CG  MET A 105      -1.908   9.341   7.457  1.00 95.26           C
+ATOM    802  SD  MET A 105      -3.159   8.184   6.856  1.00 95.43           S
+ATOM    803  CE  MET A 105      -3.934   7.703   8.409  1.00 90.71           C
+ATOM    804  N   ASN A 106       0.734  11.057   7.821  1.00 98.11           N
+ATOM    805  CA  ASN A 106       1.928  11.006   6.991  1.00 97.93           C
+ATOM    806  C   ASN A 106       2.089   9.544   6.572  1.00 98.06           C
+ATOM    807  O   ASN A 106       2.091   8.651   7.411  1.00 97.05           O
+ATOM    808  CB  ASN A 106       3.171  11.438   7.772  1.00 96.85           C
+ATOM    809  CG  ASN A 106       3.185  12.930   8.070  1.00 85.96           C
+ATOM    810  OD1 ASN A 106       2.793  13.750   7.236  1.00 78.88           O
+ATOM    811  ND2 ASN A 106       3.662  13.288   9.246  1.00 77.44           N
+ATOM    812  N   GLY A 107       2.192   9.315   5.275  1.00 97.24           N
+ATOM    813  CA  GLY A 107       2.338   7.961   4.775  1.00 96.74           C
+ATOM    814  C   GLY A 107       1.023   7.414   4.243  1.00 97.04           C
+ATOM    815  O   GLY A 107      -0.017   8.066   4.337  1.00 96.25           O
+ATOM    816  N   ASN A 108       1.056   6.213   3.695  1.00 96.94           N
+ATOM    817  CA  ASN A 108      -0.140   5.587   3.153  1.00 97.33           C
+ATOM    818  C   ASN A 108      -1.043   5.087   4.282  1.00 97.75           C
+ATOM    819  O   ASN A 108      -0.567   4.471   5.234  1.00 97.67           O
+ATOM    820  CB  ASN A 108       0.223   4.415   2.237  1.00 96.82           C
+ATOM    821  CG  ASN A 108      -0.904   4.047   1.303  1.00 95.62           C
+ATOM    822  OD1 ASN A 108      -1.314   4.844   0.461  1.00 91.46           O
+ATOM    823  ND2 ASN A 108      -1.423   2.834   1.438  1.00 90.73           N
+ATOM    824  N   LYS A 109      -2.331   5.341   4.161  1.00 97.62           N
+ATOM    825  CA  LYS A 109      -3.277   4.947   5.204  1.00 97.85           C
+ATOM    826  C   LYS A 109      -3.505   3.445   5.331  1.00 98.11           C
+ATOM    827  O   LYS A 109      -4.022   2.986   6.348  1.00 98.02           O
+ATOM    828  CB  LYS A 109      -4.625   5.643   4.977  1.00 97.10           C
+ATOM    829  CG  LYS A 109      -5.365   5.180   3.732  1.00 92.97           C
+ATOM    830  CD  LYS A 109      -6.694   5.934   3.576  1.00 92.26           C
+ATOM    831  CE  LYS A 109      -7.505   5.402   2.405  1.00 82.85           C
+ATOM    832  NZ  LYS A 109      -6.775   5.491   1.121  1.00 76.71           N
+ATOM    833  N   SER A 110      -3.124   2.680   4.316  1.00 98.20           N
+ATOM    834  CA  SER A 110      -3.327   1.240   4.354  1.00 98.36           C
+ATOM    835  C   SER A 110      -2.035   0.436   4.254  1.00 98.45           C
+ATOM    836  O   SER A 110      -1.069   0.859   3.623  1.00 98.14           O
+ATOM    837  CB  SER A 110      -4.257   0.805   3.212  1.00 98.11           C
+ATOM    838  OG  SER A 110      -5.533   1.403   3.322  1.00 96.71           O
+ATOM    839  N   VAL A 111      -2.032  -0.729   4.892  1.00 98.59           N
+ATOM    840  CA  VAL A 111      -0.899  -1.647   4.850  1.00 98.66           C
+ATOM    841  C   VAL A 111      -1.457  -3.057   4.676  1.00 98.68           C
+ATOM    842  O   VAL A 111      -2.613  -3.317   5.000  1.00 98.58           O
+ATOM    843  CB  VAL A 111      -0.032  -1.592   6.141  1.00 98.44           C
+ATOM    844  CG1 VAL A 111       0.746  -0.284   6.183  1.00 97.52           C
+ATOM    845  CG2 VAL A 111      -0.908  -1.756   7.374  1.00 97.51           C
+ATOM    846  N   TRP A 112      -0.625  -3.962   4.166  1.00 98.71           N
+ATOM    847  CA  TRP A 112      -1.033  -5.332   3.904  1.00 98.89           C
+ATOM    848  C   TRP A 112      -0.132  -6.321   4.636  1.00 98.82           C
+ATOM    849  O   TRP A 112       1.067  -6.103   4.773  1.00 98.74           O
+ATOM    850  CB  TRP A 112      -0.954  -5.623   2.399  1.00 98.77           C
+ATOM    851  CG  TRP A 112      -2.026  -4.963   1.581  1.00 98.71           C
+ATOM    852  CD1 TRP A 112      -3.131  -5.557   1.036  1.00 98.40           C
+ATOM    853  CD2 TRP A 112      -2.112  -3.573   1.238  1.00 98.64           C
+ATOM    854  NE1 TRP A 112      -3.887  -4.630   0.382  1.00 98.30           N
+ATOM    855  CE2 TRP A 112      -3.300  -3.400   0.490  1.00 98.43           C
+ATOM    856  CE3 TRP A 112      -1.309  -2.451   1.486  1.00 98.39           C
+ATOM    857  CZ2 TRP A 112      -3.711  -2.157  -0.003  1.00 98.09           C
+ATOM    858  CZ3 TRP A 112      -1.723  -1.212   0.994  1.00 98.04           C
+ATOM    859  CH2 TRP A 112      -2.902  -1.069   0.265  1.00 97.94           C
+ATOM    860  N   CYS A 113      -0.732  -7.422   5.103  1.00 98.74           N
+ATOM    861  CA  CYS A 113       0.029  -8.459   5.782  1.00 98.86           C
+ATOM    862  C   CYS A 113       0.785  -9.234   4.706  1.00 98.89           C
+ATOM    863  O   CYS A 113       0.168  -9.850   3.829  1.00 98.78           O
+ATOM    864  CB  CYS A 113      -0.910  -9.396   6.544  1.00 98.77           C
+ATOM    865  SG  CYS A 113      -0.061 -10.715   7.451  1.00 98.63           S
+ATOM    866  N   GLN A 114       2.108  -9.189   4.772  1.00 98.81           N
+ATOM    867  CA  GLN A 114       2.945  -9.850   3.778  1.00 98.86           C
+ATOM    868  C   GLN A 114       3.281 -11.295   4.121  1.00 98.86           C
+ATOM    869  O   GLN A 114       3.004 -11.770   5.221  1.00 98.78           O
+ATOM    870  CB  GLN A 114       4.237  -9.047   3.590  1.00 98.80           C
+ATOM    871  CG  GLN A 114       4.018  -7.605   3.164  1.00 98.51           C
+ATOM    872  CD  GLN A 114       5.284  -6.787   3.171  1.00 98.31           C
+ATOM    873  OE1 GLN A 114       5.710  -6.260   2.141  1.00 94.17           O
+ATOM    874  NE2 GLN A 114       5.902  -6.669   4.342  1.00 93.97           N
+ATOM    875  N   ALA A 115       3.891 -11.974   3.165  1.00 98.89           N
+ATOM    876  CA  ALA A 115       4.268 -13.365   3.353  1.00 98.74           C
+ATOM    877  C   ALA A 115       5.289 -13.539   4.477  1.00 98.75           C
+ATOM    878  O   ALA A 115       5.392 -14.623   5.056  1.00 98.38           O
+ATOM    879  CB  ALA A 115       4.827 -13.936   2.046  1.00 98.62           C
+ATOM    880  N   ASN A 116       6.044 -12.479   4.785  1.00 98.74           N
+ATOM    881  CA  ASN A 116       7.055 -12.538   5.835  1.00 98.56           C
+ATOM    882  C   ASN A 116       6.524 -12.168   7.222  1.00 98.60           C
+ATOM    883  O   ASN A 116       7.299 -11.909   8.139  1.00 98.10           O
+ATOM    884  CB  ASN A 116       8.243 -11.623   5.481  1.00 98.19           C
+ATOM    885  CG  ASN A 116       7.848 -10.167   5.353  1.00 97.53           C
+ATOM    886  OD1 ASN A 116       6.743  -9.773   5.710  1.00 95.59           O
+ATOM    887  ND2 ASN A 116       8.757  -9.360   4.833  1.00 93.91           N
+ATOM    888  N   ASN A 117       5.209 -12.132   7.366  1.00 98.73           N
+ATOM    889  CA  ASN A 117       4.547 -11.812   8.635  1.00 98.69           C
+ATOM    890  C   ASN A 117       4.665 -10.354   9.078  1.00 98.66           C
+ATOM    891  O   ASN A 117       4.355 -10.025  10.221  1.00 97.96           O
+ATOM    892  CB  ASN A 117       5.073 -12.715   9.755  1.00 98.28           C
+ATOM    893  CG  ASN A 117       5.046 -14.183   9.386  1.00 96.80           C
+ATOM    894  OD1 ASN A 117       3.991 -14.730   9.036  1.00 88.70           O
+ATOM    895  ND2 ASN A 117       6.198 -14.835   9.461  1.00 86.51           N
+ATOM    896  N   MET A 118       5.104  -9.474   8.168  1.00 98.65           N
+ATOM    897  CA  MET A 118       5.237  -8.065   8.499  1.00 98.51           C
+ATOM    898  C   MET A 118       4.315  -7.200   7.648  1.00 98.63           C
+ATOM    899  O   MET A 118       3.988  -7.552   6.516  1.00 98.47           O
+ATOM    900  CB  MET A 118       6.680  -7.599   8.306  1.00 98.12           C
+ATOM    901  CG  MET A 118       7.689  -8.299   9.197  1.00 94.48           C
+ATOM    902  SD  MET A 118       9.319  -7.528   9.129  1.00 86.68           S
+ATOM    903  CE  MET A 118       9.898  -8.090   7.542  1.00 74.02           C
+ATOM    904  N   TRP A 119       3.881  -6.058   8.204  1.00 98.69           N
+ATOM    905  CA  TRP A 119       3.026  -5.144   7.465  1.00 98.64           C
+ATOM    906  C   TRP A 119       3.835  -4.398   6.417  1.00 98.50           C
+ATOM    907  O   TRP A 119       4.964  -3.978   6.670  1.00 97.92           O
+ATOM    908  CB  TRP A 119       2.361  -4.154   8.427  1.00 98.65           C
+ATOM    909  CG  TRP A 119       1.374  -4.803   9.339  1.00 98.68           C
+ATOM    910  CD1 TRP A 119       1.540  -5.105  10.666  1.00 98.46           C
+ATOM    911  CD2 TRP A 119       0.060  -5.277   8.992  1.00 98.65           C
+ATOM    912  NE1 TRP A 119       0.427  -5.733  11.158  1.00 98.38           N
+ATOM    913  CE2 TRP A 119      -0.501  -5.852  10.152  1.00 98.49           C
+ATOM    914  CE3 TRP A 119      -0.686  -5.274   7.808  1.00 98.53           C
+ATOM    915  CZ2 TRP A 119      -1.779  -6.414  10.160  1.00 98.25           C
+ATOM    916  CZ3 TRP A 119      -1.965  -5.835   7.821  1.00 98.32           C
+ATOM    917  CH2 TRP A 119      -2.492  -6.398   8.989  1.00 98.26           C
+ATOM    918  N   GLY A 120       3.256  -4.237   5.223  1.00 98.54           N
+ATOM    919  CA  GLY A 120       3.954  -3.563   4.147  1.00 98.40           C
+ATOM    920  C   GLY A 120       3.010  -3.231   3.008  1.00 98.40           C
+ATOM    921  O   GLY A 120       1.787  -3.352   3.164  1.00 97.81           O
+ATOM    922  N   PRO A 121       3.512  -2.825   1.840  1.00 98.05           N
+ATOM    923  CA  PRO A 121       4.932  -2.696   1.490  1.00 97.72           C
+ATOM    924  C   PRO A 121       5.589  -1.446   2.075  1.00 97.40           C
+ATOM    925  O   PRO A 121       6.809  -1.362   2.166  1.00 95.32           O
+ATOM    926  CB  PRO A 121       4.901  -2.674  -0.033  1.00 96.99           C
+ATOM    927  CG  PRO A 121       3.629  -1.944  -0.321  1.00 96.41           C
+ATOM    928  CD  PRO A 121       2.657  -2.559   0.673  1.00 97.57           C
+ATOM    929  N   THR A 122       4.772  -0.477   2.483  1.00 97.26           N
+ATOM    930  CA  THR A 122       5.298   0.730   3.109  1.00 97.03           C
+ATOM    931  C   THR A 122       5.145   0.556   4.617  1.00 97.49           C
+ATOM    932  O   THR A 122       4.385  -0.288   5.085  1.00 96.61           O
+ATOM    933  CB  THR A 122       4.508   1.988   2.682  1.00 95.86           C
+ATOM    934  OG1 THR A 122       3.118   1.792   2.960  1.00 90.92           O
+ATOM    935  CG2 THR A 122       4.689   2.239   1.186  1.00 90.00           C
+ATOM    936  N   ARG A 123       5.865   1.380   5.398  1.00 96.59           N
+ATOM    937  CA  ARG A 123       5.752   1.280   6.845  1.00 96.68           C
+ATOM    938  C   ARG A 123       4.396   1.835   7.272  1.00 97.44           C
+ATOM    939  O   ARG A 123       3.708   2.505   6.504  1.00 96.83           O
+ATOM    940  CB  ARG A 123       6.872   2.055   7.538  1.00 94.35           C
+ATOM    941  CG  ARG A 123       7.095   3.463   7.042  1.00 80.47           C
+ATOM    942  CD  ARG A 123       8.029   4.216   7.968  1.00 77.00           C
+ATOM    943  NE  ARG A 123       8.722   5.324   7.309  1.00 67.21           N
+ATOM    944  CZ  ARG A 123       9.766   5.155   6.510  1.00 58.85           C
+ATOM    945  NH1 ARG A 123      10.252   3.944   6.265  1.00 54.29           N
+ATOM    946  NH2 ARG A 123      10.338   6.215   5.942  1.00 51.27           N
+ATOM    947  N   LEU A 124       4.016   1.543   8.511  1.00 97.55           N
+ATOM    948  CA  LEU A 124       2.751   2.031   9.033  1.00 97.91           C
+ATOM    949  C   LEU A 124       2.711   3.557   8.947  1.00 98.13           C
+ATOM    950  O   LEU A 124       3.742   4.213   9.081  1.00 97.75           O
+ATOM    951  CB  LEU A 124       2.572   1.615  10.495  1.00 97.47           C
+ATOM    952  CG  LEU A 124       2.383   0.129  10.774  1.00 94.60           C
+ATOM    953  CD1 LEU A 124       2.445  -0.128  12.278  1.00 91.53           C
+ATOM    954  CD2 LEU A 124       1.045  -0.334  10.220  1.00 90.74           C
+ATOM    955  N   PRO A 125       1.522   4.141   8.724  1.00 98.05           N
+ATOM    956  CA  PRO A 125       1.430   5.595   8.645  1.00 98.12           C
+ATOM    957  C   PRO A 125       1.607   6.180  10.039  1.00 98.30           C
+ATOM    958  O   PRO A 125       1.560   5.448  11.035  1.00 98.04           O
+ATOM    959  CB  PRO A 125       0.025   5.826   8.106  1.00 97.83           C
+ATOM    960  CG  PRO A 125      -0.740   4.674   8.693  1.00 97.46           C
+ATOM    961  CD  PRO A 125       0.201   3.512   8.505  1.00 98.00           C
+ATOM    962  N   THR A 126       1.816   7.492  10.123  1.00 98.45           N
+ATOM    963  CA  THR A 126       1.944   8.150  11.416  1.00 98.40           C
+ATOM    964  C   THR A 126       0.958   9.311  11.464  1.00 98.58           C
+ATOM    965  O   THR A 126       0.584   9.859  10.425  1.00 98.24           O
+ATOM    966  CB  THR A 126       3.367   8.709  11.648  1.00 97.84           C
+ATOM    967  OG1 THR A 126       3.685   9.652  10.619  1.00 93.24           O
+ATOM    968  CG2 THR A 126       4.385   7.587  11.638  1.00 92.20           C
+ATOM    969  N   CYS A 127       0.513   9.668  12.663  1.00 98.43           N
+ATOM    970  CA  CYS A 127      -0.402  10.779  12.854  1.00 98.40           C
+ATOM    971  C   CYS A 127       0.293  11.809  13.732  1.00 98.37           C
+ATOM    972  O   CYS A 127       0.693  11.501  14.857  1.00 97.44           O
+ATOM    973  CB  CYS A 127      -1.689  10.293  13.516  1.00 98.43           C
+ATOM    974  SG  CYS A 127      -2.706   9.201  12.475  1.00 98.35           S
+ATOM    975  N   VAL A 128       0.461  13.023  13.202  1.00 97.94           N
+ATOM    976  CA  VAL A 128       1.131  14.089  13.953  1.00 97.42           C
+ATOM    977  C   VAL A 128       0.200  15.258  14.215  1.00 97.59           C
+ATOM    978  O   VAL A 128      -0.683  15.547  13.413  1.00 95.63           O
+ATOM    979  CB  VAL A 128       2.381  14.592  13.190  1.00 95.35           C
+ATOM    980  CG1 VAL A 128       3.372  13.455  13.014  1.00 85.65           C
+ATOM    981  CG2 VAL A 128       1.978  15.149  11.831  1.00 87.72           C
+ATOM    982  N   SER A 129       0.413  15.928  15.350  1.00 96.01           N
+ATOM    983  CA  SER A 129      -0.418  17.062  15.728  1.00 94.24           C
+ATOM    984  C   SER A 129       0.144  18.372  15.182  1.00 89.94           C
+ATOM    985  O   SER A 129      -0.638  19.303  14.956  1.00 81.70           O
+ATOM    986  CB  SER A 129      -0.538  17.138  17.253  1.00 89.95           C
+ATOM    987  OG  SER A 129       0.738  17.283  17.845  1.00 79.84           O
+ATOM    988  OXT SER A 129       1.346  18.467  14.990  1.00 77.98           O
+TER
+END

weight/datasets/alphafold3pdb/1kshB.pdb

@@ -0,0 +1,1166 @@
+PARENT N/A
+ATOM      1  N   SER A   1     -25.128   7.324  -7.707  1.00 81.43           N
+ATOM      2  CA  SER A   1     -25.561   7.791  -6.382  1.00 90.03           C
+ATOM      3  C   SER A   1     -24.600   8.851  -5.852  1.00 92.22           C
+ATOM      4  O   SER A   1     -23.476   8.957  -6.350  1.00 90.10           O
+ATOM      5  CB  SER A   1     -25.657   6.619  -5.415  1.00 83.12           C
+ATOM      6  OG  SER A   1     -24.379   6.164  -5.067  1.00 76.25           O
+ATOM      7  N   ALA A   2     -24.989   9.600  -4.823  1.00 92.14           N
+ATOM      8  CA  ALA A   2     -24.096  10.556  -4.174  1.00 94.36           C
+ATOM      9  C   ALA A   2     -22.809   9.906  -3.636  1.00 95.25           C
+ATOM     10  O   ALA A   2     -21.740  10.510  -3.683  1.00 93.89           O
+ATOM     11  CB  ALA A   2     -24.879  11.244  -3.054  1.00 92.68           C
+ATOM     12  N   LYS A   3     -22.878   8.645  -3.192  1.00 92.45           N
+ATOM     13  CA  LYS A   3     -21.701   7.875  -2.781  1.00 94.00           C
+ATOM     14  C   LYS A   3     -20.758   7.610  -3.959  1.00 95.39           C
+ATOM     15  O   LYS A   3     -19.557   7.793  -3.826  1.00 94.50           O
+ATOM     16  CB  LYS A   3     -22.103   6.564  -2.098  1.00 90.32           C
+ATOM     17  CG  LYS A   3     -22.726   6.771  -0.711  1.00 80.99           C
+ATOM     18  CD  LYS A   3     -22.867   5.429   0.030  1.00 76.51           C
+ATOM     19  CE  LYS A   3     -23.334   5.625   1.466  1.00 67.33           C
+ATOM     20  NZ  LYS A   3     -23.200   4.395   2.281  1.00 61.02           N
+ATOM     21  N   ASP A   4     -21.290   7.256  -5.134  1.00 93.94           N
+ATOM     22  CA  ASP A   4     -20.463   7.007  -6.322  1.00 94.15           C
+ATOM     23  C   ASP A   4     -19.824   8.293  -6.858  1.00 95.11           C
+ATOM     24  O   ASP A   4     -18.732   8.260  -7.422  1.00 95.19           O
+ATOM     25  CB  ASP A   4     -21.294   6.388  -7.458  1.00 92.03           C
+ATOM     26  CG  ASP A   4     -22.125   5.185  -7.034  1.00 83.89           C
+ATOM     27  OD1 ASP A   4     -21.606   4.334  -6.287  1.00 78.70           O
+ATOM     28  OD2 ASP A   4     -23.327   5.187  -7.386  1.00 77.72           O
+ATOM     29  N   GLU A   5     -20.498   9.426  -6.714  1.00 96.11           N
+ATOM     30  CA  GLU A   5     -19.954  10.737  -7.056  1.00 96.56           C
+ATOM     31  C   GLU A   5     -18.816  11.096  -6.111  1.00 96.73           C
+ATOM     32  O   GLU A   5     -17.718  11.390  -6.584  1.00 96.73           O
+ATOM     33  CB  GLU A   5     -21.057  11.794  -7.037  1.00 96.15           C
+ATOM     34  CG  GLU A   5     -21.982  11.616  -8.248  1.00 82.09           C
+ATOM     35  CD  GLU A   5     -23.221  12.512  -8.228  1.00 73.77           C
+ATOM     36  OE1 GLU A   5     -23.955  12.466  -9.247  1.00 67.67           O
+ATOM     37  OE2 GLU A   5     -23.474  13.187  -7.204  1.00 68.26           O
+ATOM     38  N   ARG A   6     -19.022  10.949  -4.804  1.00 96.19           N
+ATOM     39  CA  ARG A   6     -17.985  11.196  -3.801  1.00 96.52           C
+ATOM     40  C   ARG A   6     -16.761  10.307  -4.006  1.00 96.69           C
+ATOM     41  O   ARG A   6     -15.639  10.812  -3.983  1.00 96.49           O
+ATOM     42  CB  ARG A   6     -18.586  11.031  -2.396  1.00 96.34           C
+ATOM     43  CG  ARG A   6     -17.590  11.319  -1.264  1.00 91.70           C
+ATOM     44  CD  ARG A   6     -17.045  12.751  -1.346  1.00 88.73           C
+ATOM     45  NE  ARG A   6     -16.066  13.032  -0.300  1.00 84.62           N
+ATOM     46  CZ  ARG A   6     -15.256  14.077  -0.291  1.00 82.24           C
+ATOM     47  NH1 ARG A   6     -15.322  15.009  -1.210  1.00 75.37           N
+ATOM     48  NH2 ARG A   6     -14.352  14.196   0.624  1.00 76.02           N
+ATOM     49  N   ALA A   7     -16.954   9.019  -4.282  1.00 96.15           N
+ATOM     50  CA  ALA A   7     -15.848   8.102  -4.560  1.00 95.61           C
+ATOM     51  C   ALA A   7     -15.041   8.538  -5.796  1.00 95.54           C
+ATOM     52  O   ALA A   7     -13.817   8.493  -5.792  1.00 95.36           O
+ATOM     53  CB  ALA A   7     -16.413   6.692  -4.738  1.00 95.28           C
+ATOM     54  N   ARG A   8     -15.717   9.005  -6.859  1.00 95.79           N
+ATOM     55  CA  ARG A   8     -15.061   9.523  -8.070  1.00 95.18           C
+ATOM     56  C   ARG A   8     -14.322  10.835  -7.820  1.00 95.22           C
+ATOM     57  O   ARG A   8     -13.276  11.038  -8.430  1.00 95.56           O
+ATOM     58  CB  ARG A   8     -16.085   9.690  -9.190  1.00 94.76           C
+ATOM     59  CG  ARG A   8     -16.477   8.344  -9.807  1.00 87.20           C
+ATOM     60  CD  ARG A   8     -17.489   8.508 -10.942  1.00 84.21           C
+ATOM     61  NE  ARG A   8     -18.816   8.894 -10.443  1.00 75.48           N
+ATOM     62  CZ  ARG A   8     -19.963   8.792 -11.099  1.00 67.65           C
+ATOM     63  NH1 ARG A   8     -20.026   8.317 -12.318  1.00 60.28           N
+ATOM     64  NH2 ARG A   8     -21.075   9.162 -10.535  1.00 60.35           N
+ATOM     65  N   GLU A   9     -14.840  11.702  -6.976  1.00 96.89           N
+ATOM     66  CA  GLU A   9     -14.168  12.941  -6.590  1.00 97.17           C
+ATOM     67  C   GLU A   9     -12.883  12.650  -5.817  1.00 97.11           C
+ATOM     68  O   GLU A   9     -11.824  13.146  -6.206  1.00 96.88           O
+ATOM     69  CB  GLU A   9     -15.103  13.824  -5.761  1.00 97.21           C
+ATOM     70  CG  GLU A   9     -16.190  14.469  -6.625  1.00 89.60           C
+ATOM     71  CD  GLU A   9     -17.225  15.246  -5.809  1.00 81.16           C
+ATOM     72  OE1 GLU A   9     -18.028  15.946  -6.466  1.00 73.75           O
+ATOM     73  OE2 GLU A   9     -17.246  15.115  -4.560  1.00 74.34           O
+ATOM     74  N   ILE A  10     -12.952  11.777  -4.808  1.00 96.59           N
+ATOM     75  CA  ILE A  10     -11.782  11.354  -4.044  1.00 96.67           C
+ATOM     76  C   ILE A  10     -10.730  10.742  -4.975  1.00 96.27           C
+ATOM     77  O   ILE A  10      -9.586  11.185  -4.968  1.00 95.98           O
+ATOM     78  CB  ILE A  10     -12.154  10.386  -2.909  1.00 97.26           C
+ATOM     79  CG1 ILE A  10     -13.044  11.077  -1.855  1.00 97.00           C
+ATOM     80  CG2 ILE A  10     -10.890   9.845  -2.227  1.00 96.76           C
+ATOM     81  CD1 ILE A  10     -13.697  10.107  -0.871  1.00 96.39           C
+ATOM     82  N   LEU A  11     -11.122   9.791  -5.834  1.00 95.52           N
+ATOM     83  CA  LEU A  11     -10.198   9.143  -6.761  1.00 94.93           C
+ATOM     84  C   LEU A  11      -9.550  10.139  -7.730  1.00 94.84           C
+ATOM     85  O   LEU A  11      -8.355  10.045  -7.993  1.00 95.56           O
+ATOM     86  CB  LEU A  11     -10.940   8.031  -7.520  1.00 94.33           C
+ATOM     87  CG  LEU A  11     -10.051   7.267  -8.528  1.00 92.05           C
+ATOM     88  CD1 LEU A  11      -8.868   6.586  -7.855  1.00 89.13           C
+ATOM     89  CD2 LEU A  11     -10.886   6.195  -9.229  1.00 88.65           C
+ATOM     90  N   ARG A  12     -10.309  11.103  -8.264  1.00 95.85           N
+ATOM     91  CA  ARG A  12      -9.789  12.128  -9.179  1.00 96.06           C
+ATOM     92  C   ARG A  12      -8.762  13.036  -8.501  1.00 96.27           C
+ATOM     93  O   ARG A  12      -7.824  13.479  -9.159  1.00 96.19           O
+ATOM     94  CB  ARG A  12     -10.972  12.938  -9.724  1.00 95.88           C
+ATOM     95  CG  ARG A  12     -10.573  13.872 -10.872  1.00 87.81           C
+ATOM     96  CD  ARG A  12     -11.727  14.824 -11.236  1.00 85.73           C
+ATOM     97  NE  ARG A  12     -12.969  14.092 -11.541  1.00 77.52           N
+ATOM     98  CZ  ARG A  12     -14.205  14.516 -11.328  1.00 71.62           C
+ATOM     99  NH1 ARG A  12     -14.444  15.716 -10.892  1.00 64.03           N
+ATOM    100  NH2 ARG A  12     -15.229  13.740 -11.554  1.00 62.92           N
+ATOM    101  N   GLY A  13      -8.957  13.304  -7.227  1.00 96.95           N
+ATOM    102  CA  GLY A  13      -8.069  14.130  -6.414  1.00 97.12           C
+ATOM    103  C   GLY A  13      -6.955  13.363  -5.705  1.00 97.40           C
+ATOM    104  O   GLY A  13      -6.135  13.991  -5.031  1.00 97.09           O
+ATOM    105  N   PHE A  14      -6.914  12.042  -5.845  1.00 95.99           N
+ATOM    106  CA  PHE A  14      -5.922  11.190  -5.206  1.00 95.60           C
+ATOM    107  C   PHE A  14      -4.754  10.886  -6.142  1.00 95.74           C
+ATOM    108  O   PHE A  14      -4.934  10.585  -7.316  1.00 95.78           O
+ATOM    109  CB  PHE A  14      -6.578   9.902  -4.710  1.00 95.23           C
+ATOM    110  CG  PHE A  14      -5.651   9.033  -3.896  1.00 95.21           C
+ATOM    111  CD1 PHE A  14      -4.898   8.006  -4.503  1.00 93.91           C
+ATOM    112  CD2 PHE A  14      -5.501   9.263  -2.516  1.00 93.95           C
+ATOM    113  CE1 PHE A  14      -4.016   7.216  -3.748  1.00 93.08           C
+ATOM    114  CE2 PHE A  14      -4.619   8.474  -1.753  1.00 93.08           C
+ATOM    115  CZ  PHE A  14      -3.884   7.460  -2.372  1.00 93.75           C
+ATOM    116  N   LYS A  15      -3.549  10.926  -5.603  1.00 95.76           N
+ATOM    117  CA  LYS A  15      -2.337  10.517  -6.307  1.00 95.63           C
+ATOM    118  C   LYS A  15      -1.358   9.847  -5.354  1.00 95.79           C
+ATOM    119  O   LYS A  15      -0.977  10.436  -4.351  1.00 95.49           O
+ATOM    120  CB  LYS A  15      -1.723  11.745  -6.985  1.00 94.80           C
+ATOM    121  CG  LYS A  15      -0.516  11.363  -7.851  1.00 87.40           C
+ATOM    122  CD  LYS A  15       0.046  12.575  -8.577  1.00 81.88           C
+ATOM    123  CE  LYS A  15       1.250  12.120  -9.394  1.00 71.86           C
+ATOM    124  NZ  LYS A  15       1.883  13.255 -10.108  1.00 63.90           N
+ATOM    125  N   LEU A  16      -0.885   8.656  -5.722  1.00 94.29           N
+ATOM    126  CA  LEU A  16       0.284   8.049  -5.101  1.00 93.64           C
+ATOM    127  C   LEU A  16       1.542   8.633  -5.766  1.00 93.31           C
+ATOM    128  O   LEU A  16       1.777   8.418  -6.952  1.00 93.01           O
+ATOM    129  CB  LEU A  16       0.185   6.527  -5.240  1.00 92.32           C
+ATOM    130  CG  LEU A  16       1.288   5.763  -4.494  1.00 85.59           C
+ATOM    131  CD1 LEU A  16       1.164   5.924  -2.981  1.00 78.30           C
+ATOM    132  CD2 LEU A  16       1.179   4.274  -4.809  1.00 79.81           C
+ATOM    133  N   ASN A  17       2.337   9.398  -5.020  1.00 95.38           N
+ATOM    134  CA  ASN A  17       3.504  10.094  -5.561  1.00 95.20           C
+ATOM    135  C   ASN A  17       4.721   9.179  -5.637  1.00 95.00           C
+ATOM    136  O   ASN A  17       5.449   9.185  -6.633  1.00 94.29           O
+ATOM    137  CB  ASN A  17       3.813  11.317  -4.691  1.00 96.01           C
+ATOM    138  CG  ASN A  17       2.684  12.316  -4.669  1.00 96.64           C
+ATOM    139  OD1 ASN A  17       2.144  12.714  -5.692  1.00 93.63           O
+ATOM    140  ND2 ASN A  17       2.305  12.764  -3.494  1.00 93.58           N
+ATOM    141  N   TRP A  18       4.948   8.417  -4.583  1.00 94.42           N
+ATOM    142  CA  TRP A  18       5.997   7.418  -4.526  1.00 94.49           C
+ATOM    143  C   TRP A  18       5.716   6.387  -3.447  1.00 94.14           C
+ATOM    144  O   TRP A  18       4.949   6.613  -2.506  1.00 93.64           O
+ATOM    145  CB  TRP A  18       7.365   8.102  -4.321  1.00 94.71           C
+ATOM    146  CG  TRP A  18       7.497   9.001  -3.126  1.00 95.41           C
+ATOM    147  CD1 TRP A  18       7.457  10.358  -3.160  1.00 94.33           C
+ATOM    148  CD2 TRP A  18       7.752   8.643  -1.742  1.00 95.53           C
+ATOM    149  NE1 TRP A  18       7.673  10.860  -1.891  1.00 93.61           N
+ATOM    150  CE2 TRP A  18       7.860   9.848  -0.985  1.00 94.87           C
+ATOM    151  CE3 TRP A  18       7.912   7.424  -1.047  1.00 94.96           C
+ATOM    152  CZ2 TRP A  18       8.108   9.844   0.409  1.00 94.38           C
+ATOM    153  CZ3 TRP A  18       8.153   7.420   0.342  1.00 94.33           C
+ATOM    154  CH2 TRP A  18       8.243   8.616   1.058  1.00 93.96           C
+ATOM    155  N   MET A  19       6.374   5.238  -3.570  1.00 91.81           N
+ATOM    156  CA  MET A  19       6.393   4.194  -2.562  1.00 90.84           C
+ATOM    157  C   MET A  19       7.799   3.629  -2.427  1.00 91.25           C
+ATOM    158  O   MET A  19       8.509   3.488  -3.418  1.00 91.24           O
+ATOM    159  CB  MET A  19       5.357   3.113  -2.922  1.00 88.44           C
+ATOM    160  CG  MET A  19       5.458   1.865  -2.050  1.00 82.34           C
+ATOM    161  SD  MET A  19       4.091   0.674  -2.194  1.00 78.86           S
+ATOM    162  CE  MET A  19       4.256   0.140  -3.901  1.00 70.73           C
+ATOM    163  N   ASN A  20       8.201   3.265  -1.219  1.00 91.41           N
+ATOM    164  CA  ASN A  20       9.378   2.447  -0.994  1.00 92.12           C
+ATOM    165  C   ASN A  20       9.089   1.303  -0.022  1.00 91.92           C
+ATOM    166  O   ASN A  20       8.135   1.331   0.759  1.00 91.95           O
+ATOM    167  CB  ASN A  20      10.581   3.331  -0.615  1.00 91.59           C
+ATOM    168  CG  ASN A  20      10.507   3.896   0.793  1.00 91.48           C
+ATOM    169  OD1 ASN A  20      10.421   3.181   1.781  1.00 87.49           O
+ATOM    170  ND2 ASN A  20      10.583   5.198   0.935  1.00 87.24           N
+ATOM    171  N   LEU A  21       9.936   0.288  -0.093  1.00 91.27           N
+ATOM    172  CA  LEU A  21       9.975  -0.844   0.821  1.00 90.79           C
+ATOM    173  C   LEU A  21      11.379  -0.911   1.418  1.00 91.12           C
+ATOM    174  O   LEU A  21      12.365  -0.961   0.681  1.00 91.31           O
+ATOM    175  CB  LEU A  21       9.615  -2.143   0.085  1.00 90.39           C
+ATOM    176  CG  LEU A  21       8.228  -2.174  -0.577  1.00 88.56           C
+ATOM    177  CD1 LEU A  21       8.048  -3.477  -1.354  1.00 85.67           C
+ATOM    178  CD2 LEU A  21       7.099  -2.075   0.447  1.00 85.66           C
+ATOM    179  N   ARG A  22      11.462  -0.927   2.745  1.00 93.51           N
+ATOM    180  CA  ARG A  22      12.706  -1.057   3.509  1.00 94.34           C
+ATOM    181  C   ARG A  22      12.697  -2.349   4.310  1.00 94.11           C
+ATOM    182  O   ARG A  22      11.652  -2.800   4.766  1.00 94.19           O
+ATOM    183  CB  ARG A  22      12.911   0.146   4.439  1.00 94.60           C
+ATOM    184  CG  ARG A  22      12.961   1.488   3.695  1.00 92.11           C
+ATOM    185  CD  ARG A  22      13.058   2.635   4.699  1.00 91.05           C
+ATOM    186  NE  ARG A  22      13.024   3.944   4.035  1.00 85.14           N
+ATOM    187  CZ  ARG A  22      14.048   4.742   3.767  1.00 80.39           C
+ATOM    188  NH1 ARG A  22      15.282   4.414   4.037  1.00 73.52           N
+ATOM    189  NH2 ARG A  22      13.806   5.887   3.213  1.00 73.73           N
+ATOM    190  N   ASP A  23      13.859  -2.908   4.511  1.00 93.62           N
+ATOM    191  CA  ASP A  23      14.065  -3.891   5.566  1.00 94.66           C
+ATOM    192  C   ASP A  23      13.833  -3.197   6.918  1.00 94.99           C
+ATOM    193  O   ASP A  23      14.474  -2.181   7.210  1.00 94.85           O
+ATOM    194  CB  ASP A  23      15.486  -4.439   5.406  1.00 94.44           C
+ATOM    195  CG  ASP A  23      15.870  -5.502   6.424  1.00 93.82           C
+ATOM    196  OD1 ASP A  23      15.634  -5.293   7.621  1.00 91.39           O
+ATOM    197  OD2 ASP A  23      16.501  -6.492   5.995  1.00 90.25           O
+ATOM    198  N   ALA A  24      12.900  -3.702   7.713  1.00 94.02           N
+ATOM    199  CA  ALA A  24      12.512  -3.068   8.968  1.00 93.94           C
+ATOM    200  C   ALA A  24      13.607  -3.147  10.044  1.00 94.11           C
+ATOM    201  O   ALA A  24      13.641  -2.317  10.947  1.00 93.19           O
+ATOM    202  CB  ALA A  24      11.210  -3.705   9.464  1.00 93.18           C
+ATOM    203  N   GLU A  25      14.512  -4.120   9.938  1.00 94.76           N
+ATOM    204  CA  GLU A  25      15.606  -4.314  10.890  1.00 94.32           C
+ATOM    205  C   GLU A  25      16.792  -3.395  10.571  1.00 94.89           C
+ATOM    206  O   GLU A  25      17.374  -2.788  11.463  1.00 93.98           O
+ATOM    207  CB  GLU A  25      15.991  -5.800  10.874  1.00 92.46           C
+ATOM    208  CG  GLU A  25      16.980  -6.205  11.974  1.00 82.45           C
+ATOM    209  CD  GLU A  25      17.199  -7.735  12.046  1.00 75.67           C
+ATOM    210  OE1 GLU A  25      17.558  -8.232  13.135  1.00 68.94           O
+ATOM    211  OE2 GLU A  25      16.971  -8.440  11.040  1.00 67.96           O
+ATOM    212  N   THR A  26      17.146  -3.262   9.280  1.00 95.69           N
+ATOM    213  CA  THR A  26      18.349  -2.538   8.853  1.00 95.73           C
+ATOM    214  C   THR A  26      18.072  -1.136   8.305  1.00 95.93           C
+ATOM    215  O   THR A  26      19.014  -0.365   8.097  1.00 94.93           O
+ATOM    216  CB  THR A  26      19.138  -3.337   7.808  1.00 95.22           C
+ATOM    217  OG1 THR A  26      18.419  -3.470   6.605  1.00 93.43           O
+ATOM    218  CG2 THR A  26      19.513  -4.736   8.288  1.00 92.06           C
+ATOM    219  N   GLY A  27      16.816  -0.825   7.981  1.00 95.64           N
+ATOM    220  CA  GLY A  27      16.394   0.427   7.351  1.00 95.18           C
+ATOM    221  C   GLY A  27      16.799   0.573   5.873  1.00 95.54           C
+ATOM    222  O   GLY A  27      16.516   1.606   5.258  1.00 94.41           O
+ATOM    223  N   LYS A  28      17.453  -0.425   5.280  1.00 95.19           N
+ATOM    224  CA  LYS A  28      17.912  -0.356   3.886  1.00 94.86           C
+ATOM    225  C   LYS A  28      16.727  -0.398   2.925  1.00 94.35           C
+ATOM    226  O   LYS A  28      15.869  -1.268   3.037  1.00 92.94           O
+ATOM    227  CB  LYS A  28      18.891  -1.492   3.566  1.00 94.33           C
+ATOM    228  CG  LYS A  28      20.233  -1.295   4.286  1.00 82.47           C
+ATOM    229  CD  LYS A  28      21.226  -2.413   3.925  1.00 76.29           C
+ATOM    230  CE  LYS A  28      22.538  -2.180   4.663  1.00 65.72           C
+ATOM    231  NZ  LYS A  28      23.530  -3.248   4.405  1.00 59.03           N
+ATOM    232  N   ILE A  29      16.734   0.502   1.933  1.00 94.65           N
+ATOM    233  CA  ILE A  29      15.759   0.475   0.838  1.00 94.33           C
+ATOM    234  C   ILE A  29      16.002  -0.781   0.001  1.00 93.64           C
+ATOM    235  O   ILE A  29      17.103  -1.024  -0.490  1.00 92.54           O
+ATOM    236  CB  ILE A  29      15.818   1.764  -0.010  1.00 93.65           C
+ATOM    237  CG1 ILE A  29      15.463   2.996   0.855  1.00 91.04           C
+ATOM    238  CG2 ILE A  29      14.854   1.656  -1.205  1.00 90.77           C
+ATOM    239  CD1 ILE A  29      15.611   4.345   0.139  1.00 84.14           C
+ATOM    240  N   LEU A  30      14.937  -1.578  -0.164  1.00 93.01           N
+ATOM    241  CA  LEU A  30      14.923  -2.786  -0.984  1.00 92.06           C
+ATOM    242  C   LEU A  30      14.335  -2.507  -2.359  1.00 91.91           C
+ATOM    243  O   LEU A  30      14.807  -3.043  -3.357  1.00 90.70           O
+ATOM    244  CB  LEU A  30      14.085  -3.860  -0.258  1.00 91.41           C
+ATOM    245  CG  LEU A  30      14.650  -4.284   1.105  1.00 89.91           C
+ATOM    246  CD1 LEU A  30      13.681  -5.250   1.781  1.00 87.47           C
+ATOM    247  CD2 LEU A  30      16.006  -4.983   0.969  1.00 87.02           C
+ATOM    248  N   TRP A  31      13.328  -1.645  -2.402  1.00 91.37           N
+ATOM    249  CA  TRP A  31      12.644  -1.253  -3.621  1.00 91.43           C
+ATOM    250  C   TRP A  31      12.078   0.157  -3.471  1.00 92.02           C
+ATOM    251  O   TRP A  31      11.712   0.562  -2.363  1.00 92.61           O
+ATOM    252  CB  TRP A  31      11.543  -2.269  -3.929  1.00 90.78           C
+ATOM    253  CG  TRP A  31      10.734  -1.967  -5.153  1.00 89.63           C
+ATOM    254  CD1 TRP A  31      10.993  -2.404  -6.398  1.00 87.91           C
+ATOM    255  CD2 TRP A  31       9.539  -1.141  -5.249  1.00 89.42           C
+ATOM    256  NE1 TRP A  31      10.044  -1.912  -7.274  1.00 85.88           N
+ATOM    257  CE2 TRP A  31       9.132  -1.130  -6.608  1.00 87.69           C
+ATOM    258  CE3 TRP A  31       8.776  -0.399  -4.328  1.00 86.42           C
+ATOM    259  CZ2 TRP A  31       7.998  -0.412  -7.043  1.00 84.24           C
+ATOM    260  CZ3 TRP A  31       7.654   0.316  -4.758  1.00 85.25           C
+ATOM    261  CH2 TRP A  31       7.271   0.313  -6.102  1.00 84.02           C
+ATOM    262  N   GLN A  32      12.002   0.893  -4.584  1.00 92.68           N
+ATOM    263  CA  GLN A  32      11.294   2.165  -4.649  1.00 93.05           C
+ATOM    264  C   GLN A  32      10.688   2.353  -6.032  1.00 92.76           C
+ATOM    265  O   GLN A  32      11.235   1.874  -7.028  1.00 91.74           O
+ATOM    266  CB  GLN A  32      12.225   3.329  -4.270  1.00 91.66           C
+ATOM    267  CG  GLN A  32      13.353   3.581  -5.278  1.00 81.46           C
+ATOM    268  CD  GLN A  32      14.293   4.702  -4.864  1.00 78.20           C
+ATOM    269  OE1 GLN A  32      14.385   5.095  -3.714  1.00 72.62           O
+ATOM    270  NE2 GLN A  32      15.059   5.257  -5.779  1.00 67.64           N
+ATOM    271  N   GLY A  33       9.554   3.062  -6.101  1.00 90.58           N
+ATOM    272  CA  GLY A  33       8.875   3.385  -7.343  1.00 89.35           C
+ATOM    273  C   GLY A  33       8.149   4.715  -7.238  1.00 91.65           C
+ATOM    274  O   GLY A  33       7.812   5.169  -6.140  1.00 92.09           O
+ATOM    275  N   THR A  34       7.917   5.335  -8.397  1.00 91.18           N
+ATOM    276  CA  THR A  34       7.172   6.597  -8.537  1.00 92.69           C
+ATOM    277  C   THR A  34       5.961   6.438  -9.445  1.00 92.62           C
+ATOM    278  O   THR A  34       5.262   7.410  -9.720  1.00 90.67           O
+ATOM    279  CB  THR A  34       8.081   7.710  -9.081  1.00 92.16           C
+ATOM    280  OG1 THR A  34       8.652   7.305 -10.305  1.00 89.28           O
+ATOM    281  CG2 THR A  34       9.230   8.039  -8.126  1.00 87.01           C
+ATOM    282  N   GLU A  35       5.720   5.227  -9.951  1.00 91.89           N
+ATOM    283  CA  GLU A  35       4.513   4.898 -10.693  1.00 90.11           C
+ATOM    284  C   GLU A  35       3.316   4.905  -9.748  1.00 90.08           C
+ATOM    285  O   GLU A  35       3.405   4.424  -8.616  1.00 88.51           O
+ATOM    286  CB  GLU A  35       4.687   3.545 -11.385  1.00 87.80           C
+ATOM    287  CG  GLU A  35       3.553   3.226 -12.362  1.00 75.46           C
+ATOM    288  CD  GLU A  35       3.743   1.883 -13.084  1.00 69.77           C
+ATOM    289  OE1 GLU A  35       2.838   1.522 -13.865  1.00 64.13           O
+ATOM    290  OE2 GLU A  35       4.777   1.216 -12.855  1.00 63.26           O
+ATOM    291  N   ASP A  36       2.191   5.461 -10.207  1.00 90.75           N
+ATOM    292  CA  ASP A  36       0.970   5.457  -9.420  1.00 91.16           C
+ATOM    293  C   ASP A  36       0.293   4.092  -9.498  1.00 89.05           C
+ATOM    294  O   ASP A  36      -0.614   3.844 -10.293  1.00 87.51           O
+ATOM    295  CB  ASP A  36       0.048   6.622  -9.812  1.00 90.97           C
+ATOM    296  CG  ASP A  36      -1.066   6.825  -8.779  1.00 91.85           C
+ATOM    297  OD1 ASP A  36      -1.301   5.912  -7.954  1.00 90.17           O
+ATOM    298  OD2 ASP A  36      -1.661   7.926  -8.764  1.00 88.91           O
+ATOM    299  N   LEU A  37       0.729   3.184  -8.635  1.00 88.58           N
+ATOM    300  CA  LEU A  37       0.194   1.828  -8.519  1.00 85.47           C
+ATOM    301  C   LEU A  37      -1.250   1.784  -7.978  1.00 85.63           C
+ATOM    302  O   LEU A  37      -1.812   0.696  -7.840  1.00 84.69           O
+ATOM    303  CB  LEU A  37       1.133   0.976  -7.642  1.00 85.20           C
+ATOM    304  CG  LEU A  37       2.593   0.868  -8.130  1.00 82.87           C
+ATOM    305  CD1 LEU A  37       3.381  -0.008  -7.160  1.00 79.46           C
+ATOM    306  CD2 LEU A  37       2.699   0.248  -9.516  1.00 80.03           C
+ATOM    307  N   SER A  38      -1.847   2.924  -7.671  1.00 86.75           N
+ATOM    308  CA  SER A  38      -3.243   3.012  -7.224  1.00 85.56           C
+ATOM    309  C   SER A  38      -4.255   3.104  -8.369  1.00 87.51           C
+ATOM    310  O   SER A  38      -5.442   2.881  -8.140  1.00 88.24           O
+ATOM    311  CB  SER A  38      -3.417   4.184  -6.248  1.00 85.99           C
+ATOM    312  OG  SER A  38      -3.513   5.422  -6.907  1.00 84.91           O
+ATOM    313  N   VAL A  39      -3.797   3.388  -9.598  1.00 87.79           N
+ATOM    314  CA  VAL A  39      -4.666   3.565 -10.764  1.00 89.85           C
+ATOM    315  C   VAL A  39      -5.443   2.270 -11.054  1.00 89.99           C
+ATOM    316  O   VAL A  39      -4.835   1.211 -11.237  1.00 90.66           O
+ATOM    317  CB  VAL A  39      -3.860   4.032 -11.986  1.00 90.04           C
+ATOM    318  CG1 VAL A  39      -4.723   4.140 -13.246  1.00 86.97           C
+ATOM    319  CG2 VAL A  39      -3.263   5.415 -11.734  1.00 86.62           C
+ATOM    320  N   PRO A  40      -6.791   2.319 -11.106  1.00 90.18           N
+ATOM    321  CA  PRO A  40      -7.606   1.147 -11.392  1.00 91.12           C
+ATOM    322  C   PRO A  40      -7.627   0.802 -12.889  1.00 90.72           C
+ATOM    323  O   PRO A  40      -7.270   1.606 -13.744  1.00 89.84           O
+ATOM    324  CB  PRO A  40      -8.997   1.517 -10.878  1.00 91.50           C
+ATOM    325  CG  PRO A  40      -9.063   3.022 -11.130  1.00 90.28           C
+ATOM    326  CD  PRO A  40      -7.635   3.473 -10.849  1.00 92.18           C
+ATOM    327  N   GLY A  41      -8.121  -0.408 -13.219  1.00 91.36           N
+ATOM    328  CA  GLY A  41      -8.400  -0.821 -14.595  1.00 90.46           C
+ATOM    329  C   GLY A  41      -7.198  -1.332 -15.389  1.00 91.62           C
+ATOM    330  O   GLY A  41      -7.388  -1.853 -16.488  1.00 89.32           O
+ATOM    331  N   VAL A  42      -5.991  -1.243 -14.833  1.00 91.25           N
+ATOM    332  CA  VAL A  42      -4.766  -1.808 -15.406  1.00 91.30           C
+ATOM    333  C   VAL A  42      -4.094  -2.727 -14.388  1.00 92.05           C
+ATOM    334  O   VAL A  42      -4.205  -2.521 -13.181  1.00 91.20           O
+ATOM    335  CB  VAL A  42      -3.807  -0.712 -15.916  1.00 89.44           C
+ATOM    336  CG1 VAL A  42      -4.441   0.063 -17.067  1.00 80.02           C
+ATOM    337  CG2 VAL A  42      -3.395   0.284 -14.835  1.00 80.87           C
+ATOM    338  N   GLU A  43      -3.406  -3.764 -14.875  1.00 91.49           N
+ATOM    339  CA  GLU A  43      -2.537  -4.579 -14.041  1.00 91.27           C
+ATOM    340  C   GLU A  43      -1.140  -3.950 -14.046  1.00 90.52           C
+ATOM    341  O   GLU A  43      -0.472  -3.923 -15.080  1.00 89.61           O
+ATOM    342  CB  GLU A  43      -2.549  -6.044 -14.509  1.00 89.33           C
+ATOM    343  CG  GLU A  43      -1.796  -6.954 -13.528  1.00 85.40           C
+ATOM    344  CD  GLU A  43      -1.923  -8.450 -13.894  1.00 84.30           C
+ATOM    345  OE1 GLU A  43      -0.974  -9.029 -14.456  1.00 78.83           O
+ATOM    346  OE2 GLU A  43      -2.954  -9.090 -13.577  1.00 78.71           O
+ATOM    347  N   HIS A  44      -0.716  -3.443 -12.896  1.00 91.37           N
+ATOM    348  CA  HIS A  44       0.625  -2.907 -12.710  1.00 90.62           C
+ATOM    349  C   HIS A  44       1.623  -4.037 -12.469  1.00 90.20           C
+ATOM    350  O   HIS A  44       1.273  -5.113 -11.995  1.00 89.92           O
+ATOM    351  CB  HIS A  44       0.640  -1.916 -11.546  1.00 91.21           C
+ATOM    352  CG  HIS A  44      -0.316  -0.776 -11.719  1.00 91.78           C
+ATOM    353  ND1 HIS A  44      -0.073   0.391 -12.415  1.00 86.72           N
+ATOM    354  CD2 HIS A  44      -1.594  -0.697 -11.226  1.00 86.35           C
+ATOM    355  CE1 HIS A  44      -1.164   1.161 -12.324  1.00 87.69           C
+ATOM    356  NE2 HIS A  44      -2.111   0.529 -11.611  1.00 88.74           N
+ATOM    357  N   GLU A  45       2.896  -3.769 -12.751  1.00 90.24           N
+ATOM    358  CA  GLU A  45       3.989  -4.673 -12.447  1.00 90.24           C
+ATOM    359  C   GLU A  45       5.000  -4.015 -11.509  1.00 89.40           C
+ATOM    360  O   GLU A  45       5.392  -2.871 -11.696  1.00 88.67           O
+ATOM    361  CB  GLU A  45       4.699  -5.147 -13.715  1.00 88.99           C
+ATOM    362  CG  GLU A  45       3.829  -6.000 -14.648  1.00 85.20           C
+ATOM    363  CD  GLU A  45       4.642  -6.657 -15.785  1.00 84.01           C
+ATOM    364  OE1 GLU A  45       4.057  -7.484 -16.511  1.00 80.03           O
+ATOM    365  OE2 GLU A  45       5.869  -6.410 -15.888  1.00 79.43           O
+ATOM    366  N   ALA A  46       5.485  -4.775 -10.528  1.00 89.24           N
+ATOM    367  CA  ALA A  46       6.613  -4.362  -9.713  1.00 88.31           C
+ATOM    368  C   ALA A  46       7.647  -5.488  -9.613  1.00 88.06           C
+ATOM    369  O   ALA A  46       7.318  -6.648  -9.388  1.00 87.81           O
+ATOM    370  CB  ALA A  46       6.124  -3.888  -8.342  1.00 88.17           C
+ATOM    371  N   ARG A  47       8.919  -5.121  -9.783  1.00 90.07           N
+ATOM    372  CA  ARG A  47      10.062  -6.035  -9.665  1.00 90.02           C
+ATOM    373  C   ARG A  47      10.783  -5.738  -8.360  1.00 89.62           C
+ATOM    374  O   ARG A  47      11.381  -4.687  -8.215  1.00 88.57           O
+ATOM    375  CB  ARG A  47      10.974  -5.909 -10.885  1.00 90.12           C
+ATOM    376  CG  ARG A  47      10.292  -6.431 -12.160  1.00 85.86           C
+ATOM    377  CD  ARG A  47      11.185  -6.278 -13.401  1.00 81.03           C
+ATOM    378  NE  ARG A  47      10.557  -6.854 -14.599  1.00 74.68           N
+ATOM    379  CZ  ARG A  47       9.539  -6.338 -15.300  1.00 66.53           C
+ATOM    380  NH1 ARG A  47       9.092  -5.129 -15.090  1.00 59.91           N
+ATOM    381  NH2 ARG A  47       8.928  -7.030 -16.213  1.00 59.49           N
+ATOM    382  N   VAL A  48      10.713  -6.676  -7.421  1.00 89.66           N
+ATOM    383  CA  VAL A  48      11.332  -6.535  -6.098  1.00 89.16           C
+ATOM    384  C   VAL A  48      12.433  -7.574  -5.924  1.00 89.20           C
+ATOM    385  O   VAL A  48      12.317  -8.688  -6.433  1.00 89.11           O
+ATOM    386  CB  VAL A  48      10.303  -6.600  -4.954  1.00 88.13           C
+ATOM    387  CG1 VAL A  48       9.279  -5.471  -5.078  1.00 83.02           C
+ATOM    388  CG2 VAL A  48       9.570  -7.935  -4.877  1.00 82.79           C
+ATOM    389  N   PRO A  49      13.526  -7.252  -5.219  1.00 89.34           N
+ATOM    390  CA  PRO A  49      14.616  -8.193  -5.038  1.00 89.29           C
+ATOM    391  C   PRO A  49      14.177  -9.379  -4.171  1.00 88.30           C
+ATOM    392  O   PRO A  49      13.585  -9.187  -3.114  1.00 87.40           O
+ATOM    393  CB  PRO A  49      15.744  -7.382  -4.403  1.00 89.29           C
+ATOM    394  CG  PRO A  49      15.007  -6.264  -3.674  1.00 88.06           C
+ATOM    395  CD  PRO A  49      13.808  -5.990  -4.569  1.00 90.33           C
+ATOM    396  N   LYS A  50      14.563 -10.600  -4.557  1.00 87.49           N
+ATOM    397  CA  LYS A  50      14.259 -11.846  -3.822  1.00 86.48           C
+ATOM    398  C   LYS A  50      14.651 -11.802  -2.342  1.00 85.82           C
+ATOM    399  O   LYS A  50      14.027 -12.471  -1.532  1.00 84.26           O
+ATOM    400  CB  LYS A  50      14.995 -13.017  -4.486  1.00 84.43           C
+ATOM    401  CG  LYS A  50      14.284 -13.495  -5.749  1.00 75.92           C
+ATOM    402  CD  LYS A  50      15.125 -14.511  -6.520  1.00 74.02           C
+ATOM    403  CE  LYS A  50      14.371 -14.912  -7.784  1.00 64.84           C
+ATOM    404  NZ  LYS A  50      15.264 -15.396  -8.851  1.00 60.12           N
+ATOM    405  N   LYS A  51      15.667 -11.010  -1.987  1.00 87.26           N
+ATOM    406  CA  LYS A  51      16.098 -10.859  -0.599  1.00 87.42           C
+ATOM    407  C   LYS A  51      15.012 -10.291   0.319  1.00 87.22           C
+ATOM    408  O   LYS A  51      15.105 -10.518   1.511  1.00 85.75           O
+ATOM    409  CB  LYS A  51      17.395 -10.036  -0.524  1.00 86.77           C
+ATOM    410  CG  LYS A  51      17.213  -8.590  -1.004  1.00 78.63           C
+ATOM    411  CD  LYS A  51      18.526  -7.797  -0.928  1.00 76.90           C
+ATOM    412  CE  LYS A  51      18.274  -6.406  -1.480  1.00 68.28           C
+ATOM    413  NZ  LYS A  51      19.474  -5.533  -1.400  1.00 62.79           N
+ATOM    414  N   ILE A  52      13.989  -9.632  -0.226  1.00 87.47           N
+ATOM    415  CA  ILE A  52      12.846  -9.148   0.554  1.00 86.90           C
+ATOM    416  C   ILE A  52      12.131 -10.278   1.288  1.00 86.02           C
+ATOM    417  O   ILE A  52      11.681 -10.094   2.410  1.00 85.32           O
+ATOM    418  CB  ILE A  52      11.882  -8.352  -0.348  1.00 86.37           C
+ATOM    419  CG1 ILE A  52      10.967  -7.458   0.511  1.00 83.98           C
+ATOM    420  CG2 ILE A  52      11.042  -9.265  -1.261  1.00 83.37           C
+ATOM    421  CD1 ILE A  52      10.152  -6.451  -0.308  1.00 81.57           C
+ATOM    422  N   LEU A  53      12.096 -11.479   0.702  1.00 84.76           N
+ATOM    423  CA  LEU A  53      11.465 -12.661   1.278  1.00 83.02           C
+ATOM    424  C   LEU A  53      12.210 -13.213   2.502  1.00 83.15           C
+ATOM    425  O   LEU A  53      11.702 -14.091   3.191  1.00 82.08           O
+ATOM    426  CB  LEU A  53      11.351 -13.748   0.197  1.00 81.35           C
+ATOM    427  CG  LEU A  53      10.562 -13.341  -1.056  1.00 78.69           C
+ATOM    428  CD1 LEU A  53      10.612 -14.473  -2.075  1.00 76.68           C
+ATOM    429  CD2 LEU A  53       9.106 -13.032  -0.732  1.00 76.73           C
+ATOM    430  N   LYS A  54      13.422 -12.727   2.755  1.00 85.73           N
+ATOM    431  CA  LYS A  54      14.216 -13.096   3.936  1.00 86.25           C
+ATOM    432  C   LYS A  54      14.013 -12.136   5.104  1.00 86.68           C
+ATOM    433  O   LYS A  54      14.471 -12.432   6.202  1.00 85.19           O
+ATOM    434  CB  LYS A  54      15.699 -13.188   3.573  1.00 85.91           C
+ATOM    435  CG  LYS A  54      15.983 -14.222   2.475  1.00 82.70           C
+ATOM    436  CD  LYS A  54      17.496 -14.356   2.258  1.00 77.42           C
+ATOM    437  CE  LYS A  54      17.782 -15.420   1.209  1.00 71.08           C
+ATOM    438  NZ  LYS A  54      19.238 -15.646   1.042  1.00 63.64           N
+ATOM    439  N   CYS A  55      13.375 -10.989   4.868  1.00 88.11           N
+ATOM    440  CA  CYS A  55      13.096 -10.020   5.921  1.00 88.63           C
+ATOM    441  C   CYS A  55      11.988 -10.560   6.827  1.00 87.80           C
+ATOM    442  O   CYS A  55      10.982 -11.057   6.352  1.00 86.98           O
+ATOM    443  CB  CYS A  55      12.700  -8.676   5.308  1.00 89.42           C
+ATOM    444  SG  CYS A  55      14.041  -8.021   4.264  1.00 89.56           S
+ATOM    445  N   LYS A  56      12.161 -10.416   8.144  1.00 88.89           N
+ATOM    446  CA  LYS A  56      11.103 -10.746   9.115  1.00 87.90           C
+ATOM    447  C   LYS A  56       9.943  -9.768   9.017  1.00 87.07           C
+ATOM    448  O   LYS A  56       8.790 -10.152   9.170  1.00 84.33           O
+ATOM    449  CB  LYS A  56      11.669 -10.712  10.530  1.00 87.54           C
+ATOM    450  CG  LYS A  56      12.688 -11.822  10.800  1.00 80.66           C
+ATOM    451  CD  LYS A  56      13.229 -11.645  12.216  1.00 75.93           C
+ATOM    452  CE  LYS A  56      14.324 -12.653  12.522  1.00 67.89           C
+ATOM    453  NZ  LYS A  56      15.062 -12.246  13.743  1.00 59.91           N
+ATOM    454  N   ALA A  57      10.278  -8.507   8.760  1.00 89.63           N
+ATOM    455  CA  ALA A  57       9.314  -7.451   8.544  1.00 90.13           C
+ATOM    456  C   ALA A  57       9.854  -6.459   7.510  1.00 90.43           C
+ATOM    457  O   ALA A  57      11.062  -6.247   7.375  1.00 89.94           O
+ATOM    458  CB  ALA A  57       8.985  -6.785   9.877  1.00 89.70           C
+ATOM    459  N   VAL A  58       8.936  -5.828   6.780  1.00 89.96           N
+ATOM    460  CA  VAL A  58       9.200  -4.796   5.793  1.00 89.61           C
+ATOM    461  C   VAL A  58       8.487  -3.528   6.229  1.00 90.33           C
+ATOM    462  O   VAL A  58       7.291  -3.554   6.517  1.00 90.46           O
+ATOM    463  CB  VAL A  58       8.761  -5.255   4.391  1.00 88.26           C
+ATOM    464  CG1 VAL A  58       8.951  -4.166   3.347  1.00 84.35           C
+ATOM    465  CG2 VAL A  58       9.580  -6.476   3.943  1.00 83.99           C
+ATOM    466  N   SER A  59       9.208  -2.417   6.261  1.00 91.39           N
+ATOM    467  CA  SER A  59       8.600  -1.100   6.417  1.00 92.16           C
+ATOM    468  C   SER A  59       8.222  -0.560   5.043  1.00 91.61           C
+ATOM    469  O   SER A  59       9.092  -0.377   4.183  1.00 91.48           O
+ATOM    470  CB  SER A  59       9.557  -0.155   7.147  1.00 92.37           C
+ATOM    471  OG  SER A  59       8.990   1.131   7.208  1.00 85.83           O
+ATOM    472  N   ARG A  60       6.948  -0.307   4.823  1.00 88.74           N
+ATOM    473  CA  ARG A  60       6.434   0.359   3.631  1.00 89.14           C
+ATOM    474  C   ARG A  60       6.186   1.820   3.940  1.00 89.90           C
+ATOM    475  O   ARG A  60       5.444   2.132   4.866  1.00 91.72           O
+ATOM    476  CB  ARG A  60       5.150  -0.339   3.160  1.00 89.40           C
+ATOM    477  CG  ARG A  60       4.572   0.321   1.901  1.00 88.00           C
+ATOM    478  CD  ARG A  60       3.267  -0.357   1.470  1.00 85.32           C
+ATOM    479  NE  ARG A  60       2.191  -0.108   2.430  1.00 84.02           N
+ATOM    480  CZ  ARG A  60       1.051  -0.778   2.510  1.00 82.53           C
+ATOM    481  NH1 ARG A  60       0.775  -1.748   1.701  1.00 76.58           N
+ATOM    482  NH2 ARG A  60       0.166  -0.472   3.426  1.00 78.74           N
+ATOM    483  N   GLU A  61       6.745   2.711   3.127  1.00 92.58           N
+ATOM    484  CA  GLU A  61       6.398   4.127   3.118  1.00 93.23           C
+ATOM    485  C   GLU A  61       5.659   4.453   1.822  1.00 92.44           C
+ATOM    486  O   GLU A  61       6.170   4.192   0.730  1.00 91.93           O
+ATOM    487  CB  GLU A  61       7.643   5.008   3.287  1.00 93.36           C
+ATOM    488  CG  GLU A  61       8.321   4.840   4.652  1.00 88.40           C
+ATOM    489  CD  GLU A  61       9.640   5.615   4.777  1.00 85.63           C
+ATOM    490  OE1 GLU A  61       9.967   6.057   5.893  1.00 80.38           O
+ATOM    491  OE2 GLU A  61      10.403   5.701   3.781  1.00 79.09           O
+ATOM    492  N   LEU A  62       4.465   5.017   1.949  1.00 92.67           N
+ATOM    493  CA  LEU A  62       3.675   5.569   0.857  1.00 92.91           C
+ATOM    494  C   LEU A  62       3.661   7.084   1.001  1.00 94.50           C
+ATOM    495  O   LEU A  62       3.385   7.579   2.084  1.00 94.64           O
+ATOM    496  CB  LEU A  62       2.236   5.033   0.920  1.00 89.95           C
+ATOM    497  CG  LEU A  62       2.088   3.513   0.804  1.00 82.07           C
+ATOM    498  CD1 LEU A  62       0.630   3.095   1.022  1.00 74.96           C
+ATOM    499  CD2 LEU A  62       2.502   3.018  -0.577  1.00 77.89           C
+ATOM    500  N   ASN A  63       3.897   7.817  -0.080  1.00 95.29           N
+ATOM    501  CA  ASN A  63       3.615   9.238  -0.113  1.00 95.71           C
+ATOM    502  C   ASN A  63       2.472   9.497  -1.082  1.00 95.45           C
+ATOM    503  O   ASN A  63       2.557   9.131  -2.255  1.00 95.87           O
+ATOM    504  CB  ASN A  63       4.878  10.008  -0.486  1.00 96.70           C
+ATOM    505  CG  ASN A  63       4.657  11.504  -0.406  1.00 97.08           C
+ATOM    506  OD1 ASN A  63       4.267  12.144  -1.368  1.00 93.94           O
+ATOM    507  ND2 ASN A  63       4.920  12.095   0.739  1.00 94.10           N
+ATOM    508  N   PHE A  64       1.414  10.113  -0.587  1.00 95.38           N
+ATOM    509  CA  PHE A  64       0.231  10.389  -1.378  1.00 95.94           C
+ATOM    510  C   PHE A  64      -0.252  11.817  -1.180  1.00 96.92           C
+ATOM    511  O   PHE A  64      -0.029  12.435  -0.134  1.00 97.63           O
+ATOM    512  CB  PHE A  64      -0.869   9.364  -1.064  1.00 96.34           C
+ATOM    513  CG  PHE A  64      -1.489   9.505   0.307  1.00 96.64           C
+ATOM    514  CD1 PHE A  64      -0.938   8.835   1.419  1.00 96.51           C
+ATOM    515  CD2 PHE A  64      -2.627  10.317   0.491  1.00 96.34           C
+ATOM    516  CE1 PHE A  64      -1.513   8.973   2.689  1.00 96.27           C
+ATOM    517  CE2 PHE A  64      -3.198  10.465   1.758  1.00 95.95           C
+ATOM    518  CZ  PHE A  64      -2.643   9.789   2.856  1.00 96.78           C
+ATOM    519  N   SER A  65      -0.930  12.336  -2.202  1.00 97.24           N
+ATOM    520  CA  SER A  65      -1.637  13.609  -2.151  1.00 97.45           C
+ATOM    521  C   SER A  65      -3.131  13.375  -2.320  1.00 97.22           C
+ATOM    522  O   SER A  65      -3.539  12.474  -3.048  1.00 97.20           O
+ATOM    523  CB  SER A  65      -1.121  14.566  -3.222  1.00 97.55           C
+ATOM    524  OG  SER A  65       0.271  14.793  -3.075  1.00 96.87           O
+ATOM    525  N   SER A  66      -3.945  14.188  -1.661  1.00 97.72           N
+ATOM    526  CA  SER A  66      -5.391  14.189  -1.817  1.00 98.05           C
+ATOM    527  C   SER A  66      -5.911  15.622  -1.839  1.00 98.36           C
+ATOM    528  O   SER A  66      -5.631  16.387  -0.915  1.00 98.38           O
+ATOM    529  CB  SER A  66      -6.054  13.403  -0.686  1.00 97.87           C
+ATOM    530  OG  SER A  66      -7.442  13.279  -0.942  1.00 97.34           O
+ATOM    531  N   THR A  67      -6.666  15.988  -2.882  1.00 98.33           N
+ATOM    532  CA  THR A  67      -7.415  17.257  -2.871  1.00 98.45           C
+ATOM    533  C   THR A  67      -8.617  17.166  -1.937  1.00 98.50           C
+ATOM    534  O   THR A  67      -8.922  18.131  -1.245  1.00 98.37           O
+ATOM    535  CB  THR A  67      -7.889  17.670  -4.273  1.00 98.21           C
+ATOM    536  OG1 THR A  67      -8.733  16.696  -4.834  1.00 94.54           O
+ATOM    537  CG2 THR A  67      -6.712  17.868  -5.227  1.00 93.52           C
+ATOM    538  N   GLU A  68      -9.247  16.004  -1.878  1.00 98.37           N
+ATOM    539  CA  GLU A  68     -10.424  15.758  -1.065  1.00 98.31           C
+ATOM    540  C   GLU A  68     -10.056  15.386   0.371  1.00 98.38           C
+ATOM    541  O   GLU A  68      -9.079  14.677   0.619  1.00 98.18           O
+ATOM    542  CB  GLU A  68     -11.294  14.664  -1.704  1.00 98.26           C
+ATOM    543  CG  GLU A  68     -11.818  15.033  -3.105  1.00 97.10           C
+ATOM    544  CD  GLU A  68     -12.546  16.370  -3.069  1.00 96.27           C
+ATOM    545  OE1 GLU A  68     -12.103  17.290  -3.793  1.00 91.87           O
+ATOM    546  OE2 GLU A  68     -13.493  16.483  -2.254  1.00 91.84           O
+ATOM    547  N   GLN A  69     -10.861  15.852   1.310  1.00 98.31           N
+ATOM    548  CA  GLN A  69     -10.814  15.376   2.686  1.00 98.30           C
+ATOM    549  C   GLN A  69     -11.274  13.918   2.736  1.00 98.37           C
+ATOM    550  O   GLN A  69     -12.219  13.531   2.056  1.00 98.06           O
+ATOM    551  CB  GLN A  69     -11.690  16.285   3.558  1.00 97.83           C
+ATOM    552  CG  GLN A  69     -11.817  15.823   5.011  1.00 95.80           C
+ATOM    553  CD  GLN A  69     -12.560  16.851   5.882  1.00 95.25           C
+ATOM    554  OE1 GLN A  69     -12.383  18.050   5.724  1.00 88.99           O
+ATOM    555  NE2 GLN A  69     -13.383  16.440   6.804  1.00 88.05           N
+ATOM    556  N   MET A  70     -10.651  13.141   3.602  1.00 98.23           N
+ATOM    557  CA  MET A  70     -11.122  11.810   3.977  1.00 98.20           C
+ATOM    558  C   MET A  70     -11.178  11.693   5.500  1.00 98.27           C
+ATOM    559  O   MET A  70     -10.282  12.192   6.192  1.00 98.16           O
+ATOM    560  CB  MET A  70     -10.234  10.722   3.365  1.00 98.15           C
+ATOM    561  CG  MET A  70     -10.317  10.673   1.840  1.00 97.64           C
+ATOM    562  SD  MET A  70      -9.366   9.316   1.081  1.00 97.28           S
+ATOM    563  CE  MET A  70      -7.737  10.086   0.993  1.00 93.32           C
+ATOM    564  N   GLU A  71     -12.218  11.040   6.014  1.00 98.05           N
+ATOM    565  CA  GLU A  71     -12.423  10.860   7.452  1.00 97.81           C
+ATOM    566  C   GLU A  71     -11.575   9.711   7.993  1.00 97.97           C
+ATOM    567  O   GLU A  71     -10.933   9.822   9.043  1.00 96.82           O
+ATOM    568  CB  GLU A  71     -13.907  10.581   7.730  1.00 97.14           C
+ATOM    569  CG  GLU A  71     -14.854  11.725   7.337  1.00 93.02           C
+ATOM    570  CD  GLU A  71     -14.530  13.047   8.056  1.00 87.80           C
+ATOM    571  OE1 GLU A  71     -14.691  14.106   7.414  1.00 80.49           O
+ATOM    572  OE2 GLU A  71     -14.110  13.006   9.232  1.00 81.52           O
+ATOM    573  N   LYS A  72     -11.541   8.589   7.256  1.00 97.89           N
+ATOM    574  CA  LYS A  72     -10.901   7.346   7.672  1.00 98.20           C
+ATOM    575  C   LYS A  72     -10.280   6.621   6.480  1.00 98.39           C
+ATOM    576  O   LYS A  72     -10.739   5.561   6.050  1.00 97.89           O
+ATOM    577  CB  LYS A  72     -11.931   6.507   8.431  1.00 97.75           C
+ATOM    578  CG  LYS A  72     -11.263   5.367   9.192  1.00 93.15           C
+ATOM    579  CD  LYS A  72     -12.318   4.600   9.995  1.00 90.64           C
+ATOM    580  CE  LYS A  72     -11.589   3.514  10.779  1.00 81.09           C
+ATOM    581  NZ  LYS A  72     -12.503   2.758  11.644  1.00 72.30           N
+ATOM    582  N   PHE A  73      -9.220   7.211   5.926  1.00 98.04           N
+ATOM    583  CA  PHE A  73      -8.505   6.596   4.819  1.00 98.12           C
+ATOM    584  C   PHE A  73      -7.864   5.285   5.262  1.00 98.16           C
+ATOM    585  O   PHE A  73      -7.097   5.242   6.229  1.00 97.90           O
+ATOM    586  CB  PHE A  73      -7.466   7.562   4.241  1.00 97.85           C
+ATOM    587  CG  PHE A  73      -6.696   7.009   3.062  1.00 97.70           C
+ATOM    588  CD1 PHE A  73      -5.291   7.112   3.020  1.00 96.50           C
+ATOM    589  CD2 PHE A  73      -7.371   6.387   1.993  1.00 96.35           C
+ATOM    590  CE1 PHE A  73      -4.572   6.611   1.922  1.00 95.68           C
+ATOM    591  CE2 PHE A  73      -6.651   5.875   0.902  1.00 95.22           C
+ATOM    592  CZ  PHE A  73      -5.256   5.987   0.867  1.00 96.01           C
+ATOM    593  N   ARG A  74      -8.182   4.206   4.548  1.00 97.70           N
+ATOM    594  CA  ARG A  74      -7.697   2.863   4.865  1.00 97.60           C
+ATOM    595  C   ARG A  74      -7.508   2.005   3.623  1.00 97.23           C
+ATOM    596  O   ARG A  74      -8.087   2.270   2.567  1.00 97.31           O
+ATOM    597  CB  ARG A  74      -8.616   2.208   5.917  1.00 97.38           C
+ATOM    598  CG  ARG A  74     -10.035   1.936   5.398  1.00 96.82           C
+ATOM    599  CD  ARG A  74     -10.937   1.359   6.495  1.00 96.63           C
+ATOM    600  NE  ARG A  74     -12.251   1.002   5.949  1.00 95.34           N
+ATOM    601  CZ  ARG A  74     -12.571  -0.149   5.361  1.00 96.13           C
+ATOM    602  NH1 ARG A  74     -11.722  -1.131   5.234  1.00 90.82           N
+ATOM    603  NH2 ARG A  74     -13.766  -0.321   4.886  1.00 92.46           N
+ATOM    604  N   LEU A  75      -6.702   0.974   3.770  1.00 95.92           N
+ATOM    605  CA  LEU A  75      -6.445  -0.022   2.747  1.00 95.49           C
+ATOM    606  C   LEU A  75      -6.860  -1.402   3.238  1.00 95.67           C
+ATOM    607  O   LEU A  75      -6.527  -1.789   4.359  1.00 95.53           O
+ATOM    608  CB  LEU A  75      -4.960  -0.044   2.349  1.00 94.01           C
+ATOM    609  CG  LEU A  75      -4.361   1.296   1.909  1.00 90.66           C
+ATOM    610  CD1 LEU A  75      -2.879   1.101   1.537  1.00 86.90           C
+ATOM    611  CD2 LEU A  75      -5.070   1.878   0.696  1.00 87.11           C
+ATOM    612  N   GLU A  76      -7.479  -2.174   2.341  1.00 95.88           N
+ATOM    613  CA  GLU A  76      -7.559  -3.620   2.436  1.00 95.91           C
+ATOM    614  C   GLU A  76      -6.698  -4.212   1.324  1.00 94.83           C
+ATOM    615  O   GLU A  76      -6.898  -3.912   0.142  1.00 93.79           O
+ATOM    616  CB  GLU A  76      -9.008  -4.105   2.314  1.00 96.39           C
+ATOM    617  CG  GLU A  76      -9.892  -3.613   3.459  1.00 94.32           C
+ATOM    618  CD  GLU A  76     -11.366  -4.013   3.295  1.00 93.44           C
+ATOM    619  OE1 GLU A  76     -12.188  -3.500   4.088  1.00 90.96           O
+ATOM    620  OE2 GLU A  76     -11.690  -4.752   2.342  1.00 90.96           O
+ATOM    621  N   GLN A  77      -5.725  -5.042   1.680  1.00 92.84           N
+ATOM    622  CA  GLN A  77      -4.871  -5.713   0.706  1.00 91.61           C
+ATOM    623  C   GLN A  77      -5.060  -7.221   0.782  1.00 90.43           C
+ATOM    624  O   GLN A  77      -4.966  -7.809   1.852  1.00 89.54           O
+ATOM    625  CB  GLN A  77      -3.398  -5.328   0.867  1.00 90.00           C
+ATOM    626  CG  GLN A  77      -3.197  -3.826   0.712  1.00 86.08           C
+ATOM    627  CD  GLN A  77      -1.733  -3.448   0.498  1.00 84.52           C
+ATOM    628  OE1 GLN A  77      -0.885  -3.557   1.363  1.00 79.29           O
+ATOM    629  NE2 GLN A  77      -1.394  -2.968  -0.672  1.00 75.25           N
+ATOM    630  N   LYS A  78      -5.272  -7.835  -0.383  1.00 90.77           N
+ATOM    631  CA  LYS A  78      -5.353  -9.276  -0.556  1.00 90.52           C
+ATOM    632  C   LYS A  78      -4.175  -9.732  -1.392  1.00 89.03           C
+ATOM    633  O   LYS A  78      -3.987  -9.254  -2.511  1.00 87.97           O
+ATOM    634  CB  LYS A  78      -6.698  -9.668  -1.190  1.00 90.65           C
+ATOM    635  CG  LYS A  78      -7.826  -9.466  -0.182  1.00 87.37           C
+ATOM    636  CD  LYS A  78      -9.183  -9.922  -0.725  1.00 86.09           C
+ATOM    637  CE  LYS A  78     -10.167  -9.734   0.428  1.00 81.67           C
+ATOM    638  NZ  LYS A  78     -11.486 -10.338   0.179  1.00 74.26           N
+ATOM    639  N   VAL A  79      -3.397 -10.646  -0.846  1.00 86.60           N
+ATOM    640  CA  VAL A  79      -2.239 -11.223  -1.519  1.00 83.58           C
+ATOM    641  C   VAL A  79      -2.605 -12.632  -1.954  1.00 83.34           C
+ATOM    642  O   VAL A  79      -2.827 -13.502  -1.123  1.00 81.84           O
+ATOM    643  CB  VAL A  79      -1.011 -11.229  -0.600  1.00 80.09           C
+ATOM    644  CG1 VAL A  79       0.216 -11.752  -1.343  1.00 74.60           C
+ATOM    645  CG2 VAL A  79      -0.709  -9.817  -0.104  1.00 75.12           C
+ATOM    646  N   TYR A  80      -2.668 -12.848  -3.275  1.00 80.68           N
+ATOM    647  CA  TYR A  80      -2.970 -14.143  -3.868  1.00 80.00           C
+ATOM    648  C   TYR A  80      -1.679 -14.802  -4.334  1.00 79.45           C
+ATOM    649  O   TYR A  80      -0.981 -14.283  -5.210  1.00 78.15           O
+ATOM    650  CB  TYR A  80      -3.949 -13.976  -5.032  1.00 79.61           C
+ATOM    651  CG  TYR A  80      -5.267 -13.341  -4.657  1.00 75.46           C
+ATOM    652  CD1 TYR A  80      -6.341 -14.120  -4.204  1.00 70.42           C
+ATOM    653  CD2 TYR A  80      -5.437 -11.947  -4.770  1.00 70.19           C
+ATOM    654  CE1 TYR A  80      -7.572 -13.533  -3.879  1.00 65.88           C
+ATOM    655  CE2 TYR A  80      -6.657 -11.343  -4.450  1.00 64.70           C
+ATOM    656  CZ  TYR A  80      -7.728 -12.136  -4.011  1.00 65.95           C
+ATOM    657  OH  TYR A  80      -8.935 -11.557  -3.711  1.00 62.03           O
+ATOM    658  N   PHE A  81      -1.392 -15.986  -3.802  1.00 75.88           N
+ATOM    659  CA  PHE A  81      -0.241 -16.779  -4.211  1.00 73.16           C
+ATOM    660  C   PHE A  81      -0.548 -18.272  -4.151  1.00 73.38           C
+ATOM    661  O   PHE A  81      -0.793 -18.824  -3.086  1.00 70.11           O
+ATOM    662  CB  PHE A  81       0.955 -16.423  -3.323  1.00 68.59           C
+ATOM    663  CG  PHE A  81       2.171 -17.200  -3.725  1.00 63.14           C
+ATOM    664  CD1 PHE A  81       2.583 -18.322  -2.986  1.00 58.89           C
+ATOM    665  CD2 PHE A  81       2.847 -16.872  -4.915  1.00 56.81           C
+ATOM    666  CE1 PHE A  81       3.656 -19.098  -3.438  1.00 53.26           C
+ATOM    667  CE2 PHE A  81       3.913 -17.649  -5.376  1.00 51.50           C
+ATOM    668  CZ  PHE A  81       4.306 -18.771  -4.634  1.00 50.17           C
+ATOM    669  N   LYS A  82      -0.506 -18.954  -5.308  1.00 71.02           N
+ATOM    670  CA  LYS A  82      -0.717 -20.414  -5.428  1.00 70.21           C
+ATOM    671  C   LYS A  82      -1.928 -20.935  -4.636  1.00 70.28           C
+ATOM    672  O   LYS A  82      -1.865 -21.997  -4.027  1.00 66.24           O
+ATOM    673  CB  LYS A  82       0.576 -21.183  -5.084  1.00 67.31           C
+ATOM    674  CG  LYS A  82       1.709 -20.979  -6.093  1.00 61.63           C
+ATOM    675  CD  LYS A  82       2.899 -21.867  -5.706  1.00 58.40           C
+ATOM    676  CE  LYS A  82       4.039 -21.721  -6.705  1.00 54.14           C
+ATOM    677  NZ  LYS A  82       5.228 -22.507  -6.292  1.00 49.92           N
+ATOM    678  N   GLY A  83      -3.024 -20.197  -4.645  1.00 67.30           N
+ATOM    679  CA  GLY A  83      -4.256 -20.562  -3.931  1.00 66.32           C
+ATOM    680  C   GLY A  83      -4.265 -20.228  -2.438  1.00 67.77           C
+ATOM    681  O   GLY A  83      -5.295 -20.426  -1.796  1.00 64.74           O
+ATOM    682  N   GLN A  84      -3.169 -19.705  -1.894  1.00 75.01           N
+ATOM    683  CA  GLN A  84      -3.159 -19.101  -0.563  1.00 74.71           C
+ATOM    684  C   GLN A  84      -3.566 -17.633  -0.658  1.00 75.86           C
+ATOM    685  O   GLN A  84      -3.272 -16.956  -1.645  1.00 73.68           O
+ATOM    686  CB  GLN A  84      -1.790 -19.283   0.109  1.00 70.91           C
+ATOM    687  CG  GLN A  84      -1.490 -20.767   0.365  1.00 63.57           C
+ATOM    688  CD  GLN A  84      -0.166 -21.001   1.072  1.00 59.76           C
+ATOM    689  OE1 GLN A  84       0.755 -20.201   1.073  1.00 55.63           O
+ATOM    690  NE2 GLN A  84       0.004 -22.146   1.701  1.00 52.70           N
+ATOM    691  N   LEU A  85      -4.255 -17.169   0.384  1.00 76.76           N
+ATOM    692  CA  LEU A  85      -4.695 -15.793   0.521  1.00 77.56           C
+ATOM    693  C   LEU A  85      -4.186 -15.261   1.861  1.00 79.27           C
+ATOM    694  O   LEU A  85      -4.498 -15.837   2.898  1.00 77.01           O
+ATOM    695  CB  LEU A  85      -6.231 -15.748   0.435  1.00 73.09           C
+ATOM    696  CG  LEU A  85      -6.844 -14.361   0.722  1.00 64.29           C
+ATOM    697  CD1 LEU A  85      -6.480 -13.349  -0.352  1.00 59.33           C
+ATOM    698  CD2 LEU A  85      -8.372 -14.458   0.769  1.00 59.05           C
+ATOM    699  N   GLU A  86      -3.468 -14.152   1.808  1.00 83.28           N
+ATOM    700  CA  GLU A  86      -3.220 -13.317   2.973  1.00 83.13           C
+ATOM    701  C   GLU A  86      -4.013 -12.028   2.844  1.00 85.43           C
+ATOM    702  O   GLU A  86      -4.191 -11.506   1.741  1.00 85.00           O
+ATOM    703  CB  GLU A  86      -1.728 -13.023   3.137  1.00 79.29           C
+ATOM    704  CG  GLU A  86      -0.942 -14.279   3.501  1.00 70.96           C
+ATOM    705  CD  GLU A  86       0.559 -14.051   3.608  1.00 66.98           C
+ATOM    706  OE1 GLU A  86       1.285 -15.071   3.696  1.00 61.16           O
+ATOM    707  OE2 GLU A  86       1.007 -12.885   3.609  1.00 59.79           O
+ATOM    708  N   GLU A  87      -4.503 -11.528   3.969  1.00 88.33           N
+ATOM    709  CA  GLU A  87      -5.280 -10.297   4.024  1.00 88.67           C
+ATOM    710  C   GLU A  87      -4.670  -9.352   5.054  1.00 88.40           C
+ATOM    711  O   GLU A  87      -4.416  -9.744   6.204  1.00 87.12           O
+ATOM    712  CB  GLU A  87      -6.753 -10.628   4.282  1.00 87.56           C
+ATOM    713  CG  GLU A  87      -7.680  -9.421   4.078  1.00 77.56           C
+ATOM    714  CD  GLU A  87      -9.162  -9.835   3.981  1.00 75.10           C
+ATOM    715  OE1 GLU A  87      -9.917  -9.136   3.261  1.00 70.91           O
+ATOM    716  OE2 GLU A  87      -9.556 -10.887   4.518  1.00 70.52           O
+ATOM    717  N   TRP A  88      -4.404  -8.123   4.642  1.00 90.97           N
+ATOM    718  CA  TRP A  88      -3.811  -7.090   5.476  1.00 90.78           C
+ATOM    719  C   TRP A  88      -4.712  -5.857   5.505  1.00 93.13           C
+ATOM    720  O   TRP A  88      -5.233  -5.428   4.474  1.00 93.04           O
+ATOM    721  CB  TRP A  88      -2.414  -6.715   4.974  1.00 87.11           C
+ATOM    722  CG  TRP A  88      -1.392  -7.810   4.916  1.00 84.25           C
+ATOM    723  CD1 TRP A  88      -1.305  -8.874   5.745  1.00 75.97           C
+ATOM    724  CD2 TRP A  88      -0.283  -7.946   3.976  1.00 78.18           C
+ATOM    725  NE1 TRP A  88      -0.227  -9.668   5.381  1.00 72.47           N
+ATOM    726  CE2 TRP A  88       0.429  -9.130   4.297  1.00 74.69           C
+ATOM    727  CE3 TRP A  88       0.176  -7.186   2.887  1.00 69.39           C
+ATOM    728  CZ2 TRP A  88       1.553  -9.554   3.572  1.00 68.87           C
+ATOM    729  CZ3 TRP A  88       1.300  -7.606   2.159  1.00 67.87           C
+ATOM    730  CH2 TRP A  88       1.974  -8.780   2.503  1.00 68.05           C
+ATOM    731  N   PHE A  89      -4.822  -5.274   6.674  1.00 93.55           N
+ATOM    732  CA  PHE A  89      -5.605  -4.068   6.912  1.00 94.64           C
+ATOM    733  C   PHE A  89      -4.678  -2.974   7.421  1.00 94.84           C
+ATOM    734  O   PHE A  89      -3.897  -3.190   8.344  1.00 93.85           O
+ATOM    735  CB  PHE A  89      -6.721  -4.365   7.904  1.00 94.32           C
+ATOM    736  CG  PHE A  89      -7.661  -5.463   7.432  1.00 92.17           C
+ATOM    737  CD1 PHE A  89      -8.775  -5.150   6.630  1.00 86.79           C
+ATOM    738  CD2 PHE A  89      -7.406  -6.804   7.768  1.00 86.16           C
+ATOM    739  CE1 PHE A  89      -9.626  -6.160   6.169  1.00 84.39           C
+ATOM    740  CE2 PHE A  89      -8.256  -7.821   7.309  1.00 83.81           C
+ATOM    741  CZ  PHE A  89      -9.364  -7.492   6.509  1.00 84.84           C
+ATOM    742  N   PHE A  90      -4.766  -1.781   6.811  1.00 95.14           N
+ATOM    743  CA  PHE A  90      -3.993  -0.626   7.221  1.00 95.78           C
+ATOM    744  C   PHE A  90      -4.908   0.589   7.302  1.00 97.01           C
+ATOM    745  O   PHE A  90      -5.701   0.818   6.388  1.00 97.21           O
+ATOM    746  CB  PHE A  90      -2.851  -0.370   6.237  1.00 94.73           C
+ATOM    747  CG  PHE A  90      -1.911  -1.540   6.034  1.00 93.54           C
+ATOM    748  CD1 PHE A  90      -0.867  -1.776   6.946  1.00 90.83           C
+ATOM    749  CD2 PHE A  90      -2.087  -2.399   4.938  1.00 90.79           C
+ATOM    750  CE1 PHE A  90      -0.002  -2.860   6.761  1.00 89.10           C
+ATOM    751  CE2 PHE A  90      -1.222  -3.485   4.754  1.00 88.92           C
+ATOM    752  CZ  PHE A  90      -0.177  -3.724   5.664  1.00 89.09           C
+ATOM    753  N   GLU A  91      -4.765   1.375   8.353  1.00 97.00           N
+ATOM    754  CA  GLU A  91      -5.548   2.587   8.557  1.00 97.47           C
+ATOM    755  C   GLU A  91      -4.613   3.789   8.672  1.00 97.24           C
+ATOM    756  O   GLU A  91      -3.666   3.776   9.460  1.00 96.90           O
+ATOM    757  CB  GLU A  91      -6.448   2.409   9.778  1.00 97.34           C
+ATOM    758  CG  GLU A  91      -7.448   3.553   9.939  1.00 92.87           C
+ATOM    759  CD  GLU A  91      -8.478   3.275  11.038  1.00 89.54           C
+ATOM    760  OE1 GLU A  91      -8.826   4.204  11.784  1.00 84.16           O
+ATOM    761  OE2 GLU A  91      -9.020   2.150  11.106  1.00 83.35           O
+ATOM    762  N   PHE A  92      -4.848   4.811   7.855  1.00 97.41           N
+ATOM    763  CA  PHE A  92      -4.179   6.101   7.962  1.00 97.56           C
+ATOM    764  C   PHE A  92      -4.967   7.033   8.878  1.00 97.68           C
+ATOM    765  O   PHE A  92      -4.384   7.718   9.722  1.00 97.22           O
+ATOM    766  CB  PHE A  92      -4.005   6.711   6.564  1.00 97.60           C
+ATOM    767  CG  PHE A  92      -3.307   8.044   6.571  1.00 97.81           C
+ATOM    768  CD1 PHE A  92      -4.048   9.247   6.618  1.00 97.29           C
+ATOM    769  CD2 PHE A  92      -1.900   8.110   6.586  1.00 97.39           C
+ATOM    770  CE1 PHE A  92      -3.390  10.484   6.686  1.00 96.95           C
+ATOM    771  CE2 PHE A  92      -1.242   9.341   6.648  1.00 96.94           C
+ATOM    772  CZ  PHE A  92      -1.985  10.530   6.700  1.00 97.20           C
+ATOM    773  N   GLY A  93      -6.293   7.041   8.735  1.00 98.18           N
+ATOM    774  CA  GLY A  93      -7.199   7.932   9.444  1.00 98.17           C
+ATOM    775  C   GLY A  93      -7.526   9.189   8.643  1.00 98.47           C
+ATOM    776  O   GLY A  93      -7.711   9.138   7.428  1.00 98.30           O
+ATOM    777  N   PHE A  94      -7.605  10.328   9.333  1.00 98.24           N
+ATOM    778  CA  PHE A  94      -8.039  11.586   8.746  1.00 98.30           C
+ATOM    779  C   PHE A  94      -7.026  12.142   7.736  1.00 98.36           C
+ATOM    780  O   PHE A  94      -5.827  12.229   8.022  1.00 98.15           O
+ATOM    781  CB  PHE A  94      -8.320  12.599   9.861  1.00 98.20           C
+ATOM    782  CG  PHE A  94      -8.914  13.891   9.351  1.00 97.28           C
+ATOM    783  CD1 PHE A  94      -8.108  15.034   9.178  1.00 95.79           C
+ATOM    784  CD2 PHE A  94     -10.275  13.955   9.034  1.00 95.93           C
+ATOM    785  CE1 PHE A  94      -8.659  16.227   8.697  1.00 95.15           C
+ATOM    786  CE2 PHE A  94     -10.835  15.150   8.553  1.00 95.01           C
+ATOM    787  CZ  PHE A  94     -10.033  16.283   8.388  1.00 95.22           C
+ATOM    788  N   VAL A  95      -7.518  12.558   6.571  1.00 98.22           N
+ATOM    789  CA  VAL A  95      -6.730  13.211   5.517  1.00 98.34           C
+ATOM    790  C   VAL A  95      -7.228  14.638   5.339  1.00 98.37           C
+ATOM    791  O   VAL A  95      -8.375  14.873   4.972  1.00 98.10           O
+ATOM    792  CB  VAL A  95      -6.787  12.430   4.197  1.00 98.22           C
+ATOM    793  CG1 VAL A  95      -5.971  13.120   3.100  1.00 97.32           C
+ATOM    794  CG2 VAL A  95      -6.237  11.003   4.364  1.00 97.18           C
+ATOM    795  N   ILE A  96      -6.330  15.598   5.580  1.00 98.33           N
+ATOM    796  CA  ILE A  96      -6.603  17.023   5.373  1.00 98.33           C
+ATOM    797  C   ILE A  96      -6.811  17.282   3.867  1.00 98.39           C
+ATOM    798  O   ILE A  96      -6.030  16.765   3.056  1.00 98.19           O
+ATOM    799  CB  ILE A  96      -5.445  17.878   5.958  1.00 97.91           C
+ATOM    800  CG1 ILE A  96      -5.281  17.626   7.478  1.00 95.99           C
+ATOM    801  CG2 ILE A  96      -5.661  19.379   5.685  1.00 96.07           C
+ATOM    802  CD1 ILE A  96      -4.057  18.304   8.107  1.00 92.28           C
+ATOM    803  N   PRO A  97      -7.813  18.091   3.453  1.00 98.46           N
+ATOM    804  CA  PRO A  97      -7.975  18.450   2.047  1.00 98.43           C
+ATOM    805  C   PRO A  97      -6.745  19.209   1.528  1.00 98.46           C
+ATOM    806  O   PRO A  97      -6.170  20.049   2.225  1.00 98.14           O
+ATOM    807  CB  PRO A  97      -9.245  19.300   1.980  1.00 98.13           C
+ATOM    808  CG  PRO A  97      -9.357  19.879   3.389  1.00 96.66           C
+ATOM    809  CD  PRO A  97      -8.811  18.750   4.268  1.00 98.21           C
+ATOM    810  N   ASN A  98      -6.345  18.924   0.282  1.00 98.35           N
+ATOM    811  CA  ASN A  98      -5.156  19.478  -0.370  1.00 98.59           C
+ATOM    812  C   ASN A  98      -3.844  19.206   0.384  1.00 98.60           C
+ATOM    813  O   ASN A  98      -2.939  20.036   0.388  1.00 98.18           O
+ATOM    814  CB  ASN A  98      -5.365  20.966  -0.713  1.00 98.30           C
+ATOM    815  CG  ASN A  98      -6.580  21.182  -1.588  1.00 96.05           C
+ATOM    816  OD1 ASN A  98      -6.614  20.789  -2.741  1.00 86.61           O
+ATOM    817  ND2 ASN A  98      -7.606  21.804  -1.063  1.00 85.53           N
+ATOM    818  N   SER A  99      -3.736  18.037   1.016  1.00 98.56           N
+ATOM    819  CA  SER A  99      -2.530  17.641   1.738  1.00 98.52           C
+ATOM    820  C   SER A  99      -1.666  16.654   0.960  1.00 98.51           C
+ATOM    821  O   SER A  99      -2.127  15.934   0.077  1.00 98.48           O
+ATOM    822  CB  SER A  99      -2.878  17.119   3.134  1.00 98.35           C
+ATOM    823  OG  SER A  99      -3.553  15.881   3.064  1.00 98.13           O
+ATOM    824  N   THR A 100      -0.380  16.616   1.317  1.00 98.48           N
+ATOM    825  CA  THR A 100       0.553  15.550   0.938  1.00 98.46           C
+ATOM    826  C   THR A 100       1.052  14.883   2.208  1.00 98.36           C
+ATOM    827  O   THR A 100       1.497  15.566   3.134  1.00 97.94           O
+ATOM    828  CB  THR A 100       1.714  16.091   0.096  1.00 98.12           C
+ATOM    829  OG1 THR A 100       1.208  16.595  -1.123  1.00 96.77           O
+ATOM    830  CG2 THR A 100       2.737  15.022  -0.268  1.00 96.50           C
+ATOM    831  N   ASN A 101       0.974  13.551   2.256  1.00 97.81           N
+ATOM    832  CA  ASN A 101       1.205  12.769   3.466  1.00 97.68           C
+ATOM    833  C   ASN A 101       2.179  11.629   3.192  1.00 97.58           C
+ATOM    834  O   ASN A 101       2.141  11.014   2.127  1.00 97.09           O
+ATOM    835  CB  ASN A 101      -0.134  12.229   3.987  1.00 97.61           C
+ATOM    836  CG  ASN A 101      -1.159  13.319   4.209  1.00 97.34           C
+ATOM    837  OD1 ASN A 101      -1.170  13.987   5.225  1.00 91.39           O
+ATOM    838  ND2 ASN A 101      -2.027  13.538   3.247  1.00 91.13           N
+ATOM    839  N   THR A 102       3.002  11.319   4.183  1.00 97.17           N
+ATOM    840  CA  THR A 102       3.792  10.094   4.208  1.00 96.43           C
+ATOM    841  C   THR A 102       3.174   9.123   5.207  1.00 96.10           C
+ATOM    842  O   THR A 102       2.977   9.470   6.370  1.00 95.65           O
+ATOM    843  CB  THR A 102       5.263  10.358   4.539  1.00 95.81           C
+ATOM    844  OG1 THR A 102       5.797  11.256   3.588  1.00 94.09           O
+ATOM    845  CG2 THR A 102       6.102   9.087   4.471  1.00 94.17           C
+ATOM    846  N   TRP A 103       2.867   7.918   4.740  1.00 95.11           N
+ATOM    847  CA  TRP A 103       2.272   6.864   5.555  1.00 94.85           C
+ATOM    848  C   TRP A 103       3.225   5.688   5.656  1.00 94.59           C
+ATOM    849  O   TRP A 103       3.508   5.010   4.668  1.00 94.53           O
+ATOM    850  CB  TRP A 103       0.932   6.466   4.952  1.00 94.65           C
+ATOM    851  CG  TRP A 103       0.176   5.416   5.693  1.00 95.00           C
+ATOM    852  CD1 TRP A 103       0.420   4.966   6.950  1.00 94.25           C
+ATOM    853  CD2 TRP A 103      -0.984   4.678   5.221  1.00 95.21           C
+ATOM    854  NE1 TRP A 103      -0.512   4.003   7.285  1.00 93.28           N
+ATOM    855  CE2 TRP A 103      -1.404   3.812   6.263  1.00 94.36           C
+ATOM    856  CE3 TRP A 103      -1.726   4.683   4.028  1.00 94.52           C
+ATOM    857  CZ2 TRP A 103      -2.543   2.996   6.139  1.00 93.89           C
+ATOM    858  CZ3 TRP A 103      -2.857   3.872   3.903  1.00 94.16           C
+ATOM    859  CH2 TRP A 103      -3.260   3.045   4.951  1.00 93.76           C
+ATOM    860  N   GLN A 104       3.697   5.430   6.871  1.00 94.46           N
+ATOM    861  CA  GLN A 104       4.538   4.288   7.184  1.00 94.34           C
+ATOM    862  C   GLN A 104       3.701   3.142   7.757  1.00 94.07           C
+ATOM    863  O   GLN A 104       2.875   3.345   8.647  1.00 93.92           O
+ATOM    864  CB  GLN A 104       5.661   4.735   8.117  1.00 93.45           C
+ATOM    865  CG  GLN A 104       6.734   3.647   8.276  1.00 83.07           C
+ATOM    866  CD  GLN A 104       7.937   4.131   9.100  1.00 78.65           C
+ATOM    867  OE1 GLN A 104       7.973   5.222   9.636  1.00 73.09           O
+ATOM    868  NE2 GLN A 104       8.966   3.333   9.223  1.00 68.46           N
+ATOM    869  N   SER A 105       3.936   1.918   7.266  1.00 93.23           N
+ATOM    870  CA  SER A 105       3.295   0.705   7.771  1.00 92.00           C
+ATOM    871  C   SER A 105       4.323  -0.413   7.918  1.00 91.13           C
+ATOM    872  O   SER A 105       5.159  -0.599   7.034  1.00 90.90           O
+ATOM    873  CB  SER A 105       2.177   0.245   6.838  1.00 91.43           C
+ATOM    874  OG  SER A 105       1.228   1.278   6.636  1.00 88.32           O
+ATOM    875  N   LEU A 106       4.228  -1.165   9.002  1.00 92.14           N
+ATOM    876  CA  LEU A 106       5.016  -2.371   9.191  1.00 91.71           C
+ATOM    877  C   LEU A 106       4.239  -3.567   8.642  1.00 89.88           C
+ATOM    878  O   LEU A 106       3.073  -3.766   8.976  1.00 87.84           O
+ATOM    879  CB  LEU A 106       5.347  -2.521  10.680  1.00 90.76           C
+ATOM    880  CG  LEU A 106       6.411  -3.601  10.973  1.00 84.96           C
+ATOM    881  CD1 LEU A 106       7.792  -3.165  10.460  1.00 82.47           C
+ATOM    882  CD2 LEU A 106       6.511  -3.838  12.474  1.00 82.51           C
+ATOM    883  N   ILE A 107       4.890  -4.361   7.796  1.00 89.93           N
+ATOM    884  CA  ILE A 107       4.337  -5.581   7.221  1.00 87.08           C
+ATOM    885  C   ILE A 107       5.186  -6.734   7.733  1.00 85.46           C
+ATOM    886  O   ILE A 107       6.340  -6.881   7.328  1.00 84.16           O
+ATOM    887  CB  ILE A 107       4.330  -5.508   5.680  1.00 85.91           C
+ATOM    888  CG1 ILE A 107       3.537  -4.273   5.176  1.00 84.62           C
+ATOM    889  CG2 ILE A 107       3.745  -6.801   5.105  1.00 83.57           C
+ATOM    890  CD1 ILE A 107       3.672  -4.030   3.672  1.00 80.01           C
+ATOM    891  N   GLU A 108       4.619  -7.535   8.612  1.00 84.65           N
+ATOM    892  CA  GLU A 108       5.251  -8.775   9.044  1.00 81.87           C
+ATOM    893  C   GLU A 108       5.142  -9.805   7.921  1.00 78.34           C
+ATOM    894  O   GLU A 108       4.066 -10.052   7.388  1.00 74.12           O
+ATOM    895  CB  GLU A 108       4.636  -9.277  10.352  1.00 81.17           C
+ATOM    896  CG  GLU A 108       4.909  -8.300  11.503  1.00 76.34           C
+ATOM    897  CD  GLU A 108       4.437  -8.799  12.873  1.00 72.27           C
+ATOM    898  OE1 GLU A 108       4.785  -8.126  13.869  1.00 67.86           O
+ATOM    899  OE2 GLU A 108       3.744  -9.835  12.931  1.00 67.03           O
+ATOM    900  N   MET A 109       6.279 -10.356   7.513  1.00 73.20           N
+ATOM    901  CA  MET A 109       6.341 -11.317   6.421  1.00 69.40           C
+ATOM    902  C   MET A 109       6.235 -12.720   7.008  1.00 67.81           C
+ATOM    903  O   MET A 109       7.097 -13.117   7.796  1.00 63.67           O
+ATOM    904  CB  MET A 109       7.651 -11.146   5.651  1.00 64.85           C
+ATOM    905  CG  MET A 109       7.751  -9.806   4.900  1.00 61.27           C
+ATOM    906  SD  MET A 109       7.065  -9.780   3.223  1.00 57.49           S
+ATOM    907  CE  MET A 109       8.205 -10.881   2.373  1.00 53.65           C
+ATOM    908  N   PRO A 110       5.237 -13.519   6.623  1.00 65.91           N
+ATOM    909  CA  PRO A 110       5.211 -14.913   7.005  1.00 63.20           C
+ATOM    910  C   PRO A 110       6.415 -15.640   6.396  1.00 62.67           C
+ATOM    911  O   PRO A 110       6.806 -15.397   5.254  1.00 58.52           O
+ATOM    912  CB  PRO A 110       3.858 -15.454   6.530  1.00 59.72           C
+ATOM    913  CG  PRO A 110       3.500 -14.535   5.378  1.00 57.74           C
+ATOM    914  CD  PRO A 110       4.120 -13.201   5.744  1.00 59.55           C
+ATOM    915  N   ALA A 111       7.023 -16.546   7.153  1.00 58.17           N
+ATOM    916  CA  ALA A 111       8.285 -17.198   6.808  1.00 55.92           C
+ATOM    917  C   ALA A 111       8.282 -17.992   5.488  1.00 56.91           C
+ATOM    918  O   ALA A 111       9.332 -18.384   5.001  1.00 53.17           O
+ATOM    919  CB  ALA A 111       8.662 -18.101   7.987  1.00 51.07           C
+ATOM    920  N   SER A 112       7.094 -18.273   4.929  1.00 55.24           N
+ATOM    921  CA  SER A 112       6.899 -19.208   3.825  1.00 53.94           C
+ATOM    922  C   SER A 112       6.344 -18.576   2.547  1.00 55.24           C
+ATOM    923  O   SER A 112       5.770 -19.298   1.737  1.00 51.95           O
+ATOM    924  CB  SER A 112       6.022 -20.370   4.295  1.00 48.99           C
+ATOM    925  OG  SER A 112       4.749 -19.900   4.661  1.00 44.20           O
+ATOM    926  N   VAL A 113       6.503 -17.275   2.312  1.00 55.65           N
+ATOM    927  CA  VAL A 113       6.147 -16.707   1.007  1.00 54.67           C
+ATOM    928  C   VAL A 113       7.100 -17.282  -0.034  1.00 56.01           C
+ATOM    929  O   VAL A 113       8.261 -16.897  -0.145  1.00 53.66           O
+ATOM    930  CB  VAL A 113       6.116 -15.169   0.975  1.00 51.23           C
+ATOM    931  CG1 VAL A 113       5.577 -14.670  -0.372  1.00 48.10           C
+ATOM    932  CG2 VAL A 113       5.187 -14.606   2.050  1.00 47.56           C
+ATOM    933  N   LEU A 114       6.597 -18.260  -0.791  1.00 55.54           N
+ATOM    934  CA  LEU A 114       7.349 -18.914  -1.849  1.00 54.51           C
+ATOM    935  C   LEU A 114       7.672 -17.915  -2.965  1.00 56.31           C
+ATOM    936  O   LEU A 114       6.915 -16.991  -3.256  1.00 52.36           O
+ATOM    937  CB  LEU A 114       6.532 -20.106  -2.365  1.00 49.20           C
+ATOM    938  CG  LEU A 114       6.505 -21.332  -1.435  1.00 44.66           C
+ATOM    939  CD1 LEU A 114       5.305 -22.226  -1.748  1.00 41.10           C
+ATOM    940  CD2 LEU A 114       7.761 -22.180  -1.607  1.00 39.98           C
+ATOM    941  N   THR A 115       8.787 -18.140  -3.657  1.00 54.44           N
+ATOM    942  CA  THR A 115       9.123 -17.401  -4.878  1.00 53.29           C
+ATOM    943  C   THR A 115       8.130 -17.715  -5.992  1.00 54.71           C
+ATOM    944  O   THR A 115       7.858 -18.884  -6.270  1.00 51.10           O
+ATOM    945  CB  THR A 115      10.542 -17.741  -5.356  1.00 48.89           C
+ATOM    946  OG1 THR A 115      10.714 -19.133  -5.424  1.00 44.96           O
+ATOM    947  CG2 THR A 115      11.609 -17.200  -4.411  1.00 43.39           C
+ATOM    948  N   GLY A 116       7.615 -16.682  -6.662  1.00 61.53           N
+ATOM    949  CA  GLY A 116       6.678 -16.831  -7.766  1.00 60.57           C
+ATOM    950  C   GLY A 116       5.937 -15.535  -8.074  1.00 63.69           C
+ATOM    951  O   GLY A 116       6.230 -14.496  -7.490  1.00 60.32           O
+ATOM    952  N   ASN A 117       4.981 -15.625  -9.001  1.00 66.18           N
+ATOM    953  CA  ASN A 117       4.129 -14.491  -9.312  1.00 66.65           C
+ATOM    954  C   ASN A 117       3.072 -14.345  -8.218  1.00 70.31           C
+ATOM    955  O   ASN A 117       2.312 -15.281  -7.954  1.00 68.11           O
+ATOM    956  CB  ASN A 117       3.491 -14.670 -10.695  1.00 61.57           C
+ATOM    957  CG  ASN A 117       4.501 -14.640 -11.827  1.00 55.91           C
+ATOM    958  OD1 ASN A 117       5.669 -14.346 -11.675  1.00 50.08           O
+ATOM    959  ND2 ASN A 117       4.071 -14.971 -13.029  1.00 49.00           N
+ATOM    960  N   VAL A 118       3.034 -13.181  -7.604  1.00 80.25           N
+ATOM    961  CA  VAL A 118       2.063 -12.799  -6.584  1.00 82.56           C
+ATOM    962  C   VAL A 118       1.225 -11.669  -7.157  1.00 85.37           C
+ATOM    963  O   VAL A 118       1.767 -10.763  -7.781  1.00 85.81           O
+ATOM    964  CB  VAL A 118       2.773 -12.369  -5.289  1.00 79.33           C
+ATOM    965  CG1 VAL A 118       1.811 -11.839  -4.241  1.00 73.47           C
+ATOM    966  CG2 VAL A 118       3.519 -13.553  -4.669  1.00 73.15           C
+ATOM    967  N   ILE A 119      -0.085 -11.720  -6.949  1.00 85.49           N
+ATOM    968  CA  ILE A 119      -0.973 -10.596  -7.247  1.00 86.39           C
+ATOM    969  C   ILE A 119      -1.389  -9.978  -5.923  1.00 85.74           C
+ATOM    970  O   ILE A 119      -1.926 -10.670  -5.063  1.00 85.46           O
+ATOM    971  CB  ILE A 119      -2.177 -11.026  -8.113  1.00 86.49           C
+ATOM    972  CG1 ILE A 119      -1.691 -11.562  -9.474  1.00 84.02           C
+ATOM    973  CG2 ILE A 119      -3.147  -9.842  -8.307  1.00 82.95           C
+ATOM    974  CD1 ILE A 119      -2.799 -12.164 -10.344  1.00 76.77           C
+ATOM    975  N   ILE A 120      -1.161  -8.683  -5.773  1.00 86.37           N
+ATOM    976  CA  ILE A 120      -1.699  -7.894  -4.676  1.00 86.15           C
+ATOM    977  C   ILE A 120      -2.883  -7.102  -5.216  1.00 87.47           C
+ATOM    978  O   ILE A 120      -2.713  -6.249  -6.082  1.00 88.78           O
+ATOM    979  CB  ILE A 120      -0.638  -6.984  -4.031  1.00 85.27           C
+ATOM    980  CG1 ILE A 120       0.566  -7.838  -3.557  1.00 82.22           C
+ATOM    981  CG2 ILE A 120      -1.266  -6.193  -2.878  1.00 81.37           C
+ATOM    982  CD1 ILE A 120       1.582  -7.086  -2.704  1.00 77.62           C
+ATOM    983  N   GLU A 121      -4.071  -7.376  -4.690  1.00 89.14           N
+ATOM    984  CA  GLU A 121      -5.226  -6.516  -4.855  1.00 90.70           C
+ATOM    985  C   GLU A 121      -5.272  -5.530  -3.692  1.00 90.05           C
+ATOM    986  O   GLU A 121      -5.247  -5.938  -2.536  1.00 89.94           O
+ATOM    987  CB  GLU A 121      -6.505  -7.364  -4.961  1.00 91.66           C
+ATOM    988  CG  GLU A 121      -7.741  -6.509  -5.247  1.00 91.05           C
+ATOM    989  CD  GLU A 121      -8.996  -7.397  -5.412  1.00 90.07           C
+ATOM    990  OE1 GLU A 121      -9.694  -7.606  -4.402  1.00 86.28           O
+ATOM    991  OE2 GLU A 121      -9.254  -7.875  -6.541  1.00 85.80           O
+ATOM    992  N   THR A 122      -5.322  -4.235  -3.989  1.00 89.58           N
+ATOM    993  CA  THR A 122      -5.454  -3.181  -2.985  1.00 90.34           C
+ATOM    994  C   THR A 122      -6.761  -2.447  -3.192  1.00 91.86           C
+ATOM    995  O   THR A 122      -6.990  -1.884  -4.263  1.00 92.35           O
+ATOM    996  CB  THR A 122      -4.278  -2.192  -3.024  1.00 90.25           C
+ATOM    997  OG1 THR A 122      -3.053  -2.871  -2.871  1.00 89.48           O
+ATOM    998  CG2 THR A 122      -4.362  -1.150  -1.912  1.00 89.23           C
+ATOM    999  N   LYS A 123      -7.608  -2.442  -2.169  1.00 92.57           N
+ATOM   1000  CA  LYS A 123      -8.802  -1.611  -2.108  1.00 94.41           C
+ATOM   1001  C   LYS A 123      -8.520  -0.386  -1.250  1.00 94.16           C
+ATOM   1002  O   LYS A 123      -8.014  -0.510  -0.140  1.00 94.39           O
+ATOM   1003  CB  LYS A 123      -9.986  -2.410  -1.572  1.00 96.03           C
+ATOM   1004  CG  LYS A 123     -10.378  -3.551  -2.518  1.00 95.57           C
+ATOM   1005  CD  LYS A 123     -11.615  -4.256  -1.981  1.00 94.13           C
+ATOM   1006  CE  LYS A 123     -12.024  -5.364  -2.959  1.00 90.66           C
+ATOM   1007  NZ  LYS A 123     -13.259  -6.028  -2.503  1.00 83.93           N
+ATOM   1008  N   PHE A 124      -8.839   0.789  -1.788  1.00 92.87           N
+ATOM   1009  CA  PHE A 124      -8.707   2.079  -1.126  1.00 93.12           C
+ATOM   1010  C   PHE A 124     -10.095   2.506  -0.650  1.00 93.93           C
+ATOM   1011  O   PHE A 124     -11.024   2.523  -1.450  1.00 94.01           O
+ATOM   1012  CB  PHE A 124      -8.128   3.110  -2.100  1.00 92.55           C
+ATOM   1013  CG  PHE A 124      -6.752   2.771  -2.634  1.00 90.45           C
+ATOM   1014  CD1 PHE A 124      -5.609   3.389  -2.090  1.00 87.08           C
+ATOM   1015  CD2 PHE A 124      -6.590   1.834  -3.676  1.00 87.72           C
+ATOM   1016  CE1 PHE A 124      -4.330   3.072  -2.561  1.00 85.41           C
+ATOM   1017  CE2 PHE A 124      -5.306   1.500  -4.143  1.00 86.07           C
+ATOM   1018  CZ  PHE A 124      -4.177   2.121  -3.583  1.00 88.04           C
+ATOM   1019  N   PHE A 125     -10.215   2.834   0.623  1.00 96.60           N
+ATOM   1020  CA  PHE A 125     -11.465   3.247   1.237  1.00 97.25           C
+ATOM   1021  C   PHE A 125     -11.324   4.586   1.952  1.00 97.37           C
+ATOM   1022  O   PHE A 125     -10.272   4.888   2.512  1.00 97.36           O
+ATOM   1023  CB  PHE A 125     -11.942   2.180   2.226  1.00 97.30           C
+ATOM   1024  CG  PHE A 125     -12.365   0.870   1.618  1.00 97.32           C
+ATOM   1025  CD1 PHE A 125     -13.725   0.644   1.321  1.00 95.68           C
+ATOM   1026  CD2 PHE A 125     -11.433  -0.162   1.421  1.00 95.78           C
+ATOM   1027  CE1 PHE A 125     -14.154  -0.599   0.842  1.00 95.44           C
+ATOM   1028  CE2 PHE A 125     -11.858  -1.410   0.938  1.00 95.48           C
+ATOM   1029  CZ  PHE A 125     -13.221  -1.632   0.655  1.00 96.47           C
+ATOM   1030  N   ASP A 126     -12.408   5.345   1.983  1.00 97.38           N
+ATOM   1031  CA  ASP A 126     -12.693   6.309   3.038  1.00 97.73           C
+ATOM   1032  C   ASP A 126     -13.837   5.748   3.876  1.00 97.52           C
+ATOM   1033  O   ASP A 126     -14.979   5.671   3.409  1.00 97.21           O
+ATOM   1034  CB  ASP A 126     -13.044   7.675   2.439  1.00 97.92           C
+ATOM   1035  CG  ASP A 126     -13.284   8.741   3.510  1.00 97.95           C
+ATOM   1036  OD1 ASP A 126     -12.840   8.539   4.667  1.00 96.63           O
+ATOM   1037  OD2 ASP A 126     -13.851   9.800   3.165  1.00 96.60           O
+ATOM   1038  N   ASP A 127     -13.515   5.268   5.065  1.00 97.42           N
+ATOM   1039  CA  ASP A 127     -14.417   4.498   5.925  1.00 97.38           C
+ATOM   1040  C   ASP A 127     -15.042   3.307   5.181  1.00 97.11           C
+ATOM   1041  O   ASP A 127     -14.308   2.408   4.731  1.00 96.38           O
+ATOM   1042  CB  ASP A 127     -15.394   5.455   6.624  1.00 96.69           C
+ATOM   1043  CG  ASP A 127     -16.082   4.825   7.836  1.00 94.48           C
+ATOM   1044  OD1 ASP A 127     -15.510   3.879   8.416  1.00 90.99           O
+ATOM   1045  OD2 ASP A 127     -17.169   5.321   8.204  1.00 89.87           O
+ATOM   1046  N   ASP A 128     -16.357   3.272   4.978  1.00 96.80           N
+ATOM   1047  CA  ASP A 128     -17.058   2.224   4.221  1.00 96.47           C
+ATOM   1048  C   ASP A 128     -17.156   2.511   2.711  1.00 96.75           C
+ATOM   1049  O   ASP A 128     -17.661   1.690   1.934  1.00 95.29           O
+ATOM   1050  CB  ASP A 128     -18.459   2.017   4.822  1.00 94.78           C
+ATOM   1051  CG  ASP A 128     -18.445   1.394   6.220  1.00 85.53           C
+ATOM   1052  OD1 ASP A 128     -17.559   0.552   6.472  1.00 77.86           O
+ATOM   1053  OD2 ASP A 128     -19.389   1.701   6.967  1.00 78.32           O
+ATOM   1054  N   LEU A 129     -16.691   3.672   2.250  1.00 95.46           N
+ATOM   1055  CA  LEU A 129     -16.755   4.069   0.855  1.00 95.73           C
+ATOM   1056  C   LEU A 129     -15.562   3.504   0.078  1.00 95.72           C
+ATOM   1057  O   LEU A 129     -14.441   3.985   0.208  1.00 95.51           O
+ATOM   1058  CB  LEU A 129     -16.843   5.597   0.764  1.00 95.21           C
+ATOM   1059  CG  LEU A 129     -17.000   6.130  -0.663  1.00 93.39           C
+ATOM   1060  CD1 LEU A 129     -18.341   5.707  -1.279  1.00 91.48           C
+ATOM   1061  CD2 LEU A 129     -16.934   7.651  -0.655  1.00 91.85           C
+ATOM   1062  N   LEU A 130     -15.829   2.530  -0.813  1.00 95.24           N
+ATOM   1063  CA  LEU A 130     -14.826   2.049  -1.760  1.00 95.31           C
+ATOM   1064  C   LEU A 130     -14.514   3.134  -2.799  1.00 94.97           C
+ATOM   1065  O   LEU A 130     -15.373   3.499  -3.595  1.00 94.57           O
+ATOM   1066  CB  LEU A 130     -15.311   0.747  -2.417  1.00 95.35           C
+ATOM   1067  CG  LEU A 130     -14.333   0.160  -3.454  1.00 95.05           C
+ATOM   1068  CD1 LEU A 130     -13.001  -0.271  -2.830  1.00 93.26           C
+ATOM   1069  CD2 LEU A 130     -14.951  -1.079  -4.114  1.00 92.88           C
+ATOM   1070  N   VAL A 131     -13.260   3.593  -2.821  1.00 94.11           N
+ATOM   1071  CA  VAL A 131     -12.755   4.627  -3.738  1.00 93.23           C
+ATOM   1072  C   VAL A 131     -12.157   4.006  -4.995  1.00 92.75           C
+ATOM   1073  O   VAL A 131     -12.448   4.435  -6.111  1.00 92.33           O
+ATOM   1074  CB  VAL A 131     -11.717   5.505  -3.023  1.00 93.59           C
+ATOM   1075  CG1 VAL A 131     -11.096   6.547  -3.952  1.00 91.08           C
+ATOM   1076  CG2 VAL A 131     -12.349   6.244  -1.837  1.00 90.90           C
+ATOM   1077  N   SER A 132     -11.316   2.981  -4.830  1.00 91.51           N
+ATOM   1078  CA  SER A 132     -10.626   2.333  -5.941  1.00 90.96           C
+ATOM   1079  C   SER A 132     -10.241   0.892  -5.600  1.00 92.54           C
+ATOM   1080  O   SER A 132     -10.061   0.541  -4.436  1.00 93.52           O
+ATOM   1081  CB  SER A 132      -9.375   3.137  -6.305  1.00 89.10           C
+ATOM   1082  OG  SER A 132      -8.759   2.601  -7.461  1.00 82.90           O
+ATOM   1083  N   THR A 133     -10.091   0.070  -6.638  1.00 92.61           N
+ATOM   1084  CA  THR A 133      -9.432  -1.238  -6.552  1.00 93.80           C
+ATOM   1085  C   THR A 133      -8.330  -1.280  -7.593  1.00 93.34           C
+ATOM   1086  O   THR A 133      -8.608  -1.126  -8.783  1.00 92.38           O
+ATOM   1087  CB  THR A 133     -10.424  -2.385  -6.769  1.00 93.99           C
+ATOM   1088  OG1 THR A 133     -11.463  -2.326  -5.814  1.00 92.10           O
+ATOM   1089  CG2 THR A 133      -9.768  -3.753  -6.619  1.00 91.93           C
+ATOM   1090  N   SER A 134      -7.096  -1.514  -7.170  1.00 89.76           N
+ATOM   1091  CA  SER A 134      -5.945  -1.686  -8.055  1.00 88.93           C
+ATOM   1092  C   SER A 134      -5.324  -3.067  -7.892  1.00 89.06           C
+ATOM   1093  O   SER A 134      -5.513  -3.739  -6.873  1.00 89.99           O
+ATOM   1094  CB  SER A 134      -4.917  -0.573  -7.834  1.00 87.46           C
+ATOM   1095  OG  SER A 134      -4.232  -0.749  -6.610  1.00 80.17           O
+ATOM   1096  N   ARG A 135      -4.576  -3.506  -8.918  1.00 90.70           N
+ATOM   1097  CA  ARG A 135      -3.861  -4.788  -8.901  1.00 92.10           C
+ATOM   1098  C   ARG A 135      -2.413  -4.598  -9.313  1.00 91.01           C
+ATOM   1099  O   ARG A 135      -2.135  -3.949 -10.318  1.00 90.34           O
+ATOM   1100  CB  ARG A 135      -4.557  -5.813  -9.802  1.00 92.00           C
+ATOM   1101  CG  ARG A 135      -5.899  -6.245  -9.203  1.00 87.38           C
+ATOM   1102  CD  ARG A 135      -6.566  -7.289 -10.090  1.00 85.17           C
+ATOM   1103  NE  ARG A 135      -7.806  -7.760  -9.478  1.00 77.36           N
+ATOM   1104  CZ  ARG A 135      -8.684  -8.601  -9.978  1.00 70.01           C
+ATOM   1105  NH1 ARG A 135      -8.523  -9.109 -11.173  1.00 64.28           N
+ATOM   1106  NH2 ARG A 135      -9.711  -8.918  -9.271  1.00 61.99           N
+ATOM   1107  N   VAL A 136      -1.518  -5.206  -8.560  1.00 88.88           N
+ATOM   1108  CA  VAL A 136      -0.083  -5.225  -8.851  1.00 87.54           C
+ATOM   1109  C   VAL A 136       0.381  -6.667  -8.926  1.00 86.79           C
+ATOM   1110  O   VAL A 136       0.229  -7.425  -7.972  1.00 87.48           O
+ATOM   1111  CB  VAL A 136       0.721  -4.443  -7.792  1.00 87.45           C
+ATOM   1112  CG1 VAL A 136       2.197  -4.388  -8.175  1.00 84.59           C
+ATOM   1113  CG2 VAL A 136       0.203  -3.005  -7.633  1.00 85.11           C
+ATOM   1114  N   ARG A 137       0.982  -7.051 -10.055  1.00 88.58           N
+ATOM   1115  CA  ARG A 137       1.689  -8.317 -10.194  1.00 88.07           C
+ATOM   1116  C   ARG A 137       3.140  -8.131  -9.765  1.00 87.33           C
+ATOM   1117  O   ARG A 137       3.876  -7.334 -10.336  1.00 87.14           O
+ATOM   1118  CB  ARG A 137       1.539  -8.837 -11.622  1.00 87.98           C
+ATOM   1119  CG  ARG A 137       2.116 -10.250 -11.761  1.00 85.96           C
+ATOM   1120  CD  ARG A 137       1.969 -10.773 -13.191  1.00 84.01           C
+ATOM   1121  NE  ARG A 137       0.557 -10.893 -13.597  1.00 80.89           N
+ATOM   1122  CZ  ARG A 137      -0.197 -11.965 -13.673  1.00 77.46           C
+ATOM   1123  NH1 ARG A 137       0.264 -13.158 -13.444  1.00 72.06           N
+ATOM   1124  NH2 ARG A 137      -1.441 -11.829 -14.000  1.00 73.62           N
+ATOM   1125  N   LEU A 138       3.536  -8.892  -8.757  1.00 87.04           N
+ATOM   1126  CA  LEU A 138       4.884  -8.856  -8.198  1.00 86.45           C
+ATOM   1127  C   LEU A 138       5.759  -9.938  -8.822  1.00 86.69           C
+ATOM   1128  O   LEU A 138       5.400 -11.114  -8.862  1.00 86.13           O
+ATOM   1129  CB  LEU A 138       4.799  -9.007  -6.671  1.00 84.40           C
+ATOM   1130  CG  LEU A 138       4.730  -7.640  -5.974  1.00 79.76           C
+ATOM   1131  CD1 LEU A 138       4.115  -7.780  -4.596  1.00 76.38           C
+ATOM   1132  CD2 LEU A 138       6.121  -7.057  -5.781  1.00 76.69           C
+ATOM   1133  N   PHE A 139       6.948  -9.518  -9.246  1.00 86.95           N
+ATOM   1134  CA  PHE A 139       8.019 -10.394  -9.697  1.00 87.00           C
+ATOM   1135  C   PHE A 139       9.181 -10.294  -8.721  1.00 86.78           C
+ATOM   1136  O   PHE A 139       9.663  -9.206  -8.418  1.00 86.14           O
+ATOM   1137  CB  PHE A 139       8.449 -10.016 -11.111  1.00 87.01           C
+ATOM   1138  CG  PHE A 139       7.355 -10.148 -12.145  1.00 86.60           C
+ATOM   1139  CD1 PHE A 139       7.185 -11.357 -12.855  1.00 83.95           C
+ATOM   1140  CD2 PHE A 139       6.492  -9.077 -12.407  1.00 83.78           C
+ATOM   1141  CE1 PHE A 139       6.178 -11.474 -13.820  1.00 82.39           C
+ATOM   1142  CE2 PHE A 139       5.482  -9.189 -13.362  1.00 82.61           C
+ATOM   1143  CZ  PHE A 139       5.324 -10.388 -14.073  1.00 84.13           C
+ATOM   1144  N   TYR A 140       9.659 -11.436  -8.253  1.00 86.25           N
+ATOM   1145  CA  TYR A 140      10.852 -11.527  -7.429  1.00 86.09           C
+ATOM   1146  C   TYR A 140      12.070 -11.776  -8.324  1.00 86.24           C
+ATOM   1147  O   TYR A 140      12.151 -12.803  -8.989  1.00 85.08           O
+ATOM   1148  CB  TYR A 140      10.673 -12.606  -6.368  1.00 84.07           C
+ATOM   1149  CG  TYR A 140       9.499 -12.362  -5.451  1.00 81.51           C
+ATOM   1150  CD1 TYR A 140       9.570 -11.356  -4.471  1.00 78.04           C
+ATOM   1151  CD2 TYR A 140       8.333 -13.132  -5.573  1.00 78.34           C
+ATOM   1152  CE1 TYR A 140       8.485 -11.131  -3.597  1.00 75.83           C
+ATOM   1153  CE2 TYR A 140       7.248 -12.919  -4.714  1.00 75.33           C
+ATOM   1154  CZ  TYR A 140       7.329 -11.923  -3.715  1.00 75.41           C
+ATOM   1155  OH  TYR A 140       6.283 -11.721  -2.859  1.00 71.93           O
+ATOM   1156  N   VAL A 141      13.012 -10.815  -8.339  1.00 87.41           N
+ATOM   1157  CA  VAL A 141      14.195 -10.817  -9.212  1.00 88.48           C
+ATOM   1158  C   VAL A 141      15.511 -10.954  -8.449  1.00 86.36           C
+ATOM   1159  O   VAL A 141      15.578 -10.631  -7.250  1.00 83.35           O
+ATOM   1160  CB  VAL A 141      14.203  -9.623 -10.183  1.00 86.40           C
+ATOM   1161  CG1 VAL A 141      12.996  -9.679 -11.121  1.00 82.65           C
+ATOM   1162  CG2 VAL A 141      14.212  -8.279  -9.457  1.00 82.27           C
+ATOM   1163  OXT VAL A 141      16.514 -11.387  -9.071  1.00 82.36           O
+TER
+END

weight/datasets/alphafold3pdb/1svdM.pdb

@@ -0,0 +1,897 @@
+PARENT N/A
+ATOM      1  N   GLU A   1     -24.964  17.906 -20.090  1.00 72.82           N
+ATOM      2  CA  GLU A   1     -25.608  17.594 -18.794  1.00 84.33           C
+ATOM      3  C   GLU A   1     -24.548  17.026 -17.863  1.00 84.28           C
+ATOM      4  O   GLU A   1     -23.790  16.153 -18.291  1.00 80.39           O
+ATOM      5  CB  GLU A   1     -26.742  16.596 -19.001  1.00 80.31           C
+ATOM      6  CG  GLU A   1     -28.052  17.075 -18.392  1.00 66.85           C
+ATOM      7  CD  GLU A   1     -29.242  16.204 -18.802  1.00 62.24           C
+ATOM      8  OE1 GLU A   1     -30.308  16.391 -18.193  1.00 56.33           O
+ATOM      9  OE2 GLU A   1     -29.064  15.395 -19.742  1.00 60.50           O
+ATOM     10  N   MET A   2     -24.414  17.542 -16.660  1.00 84.27           N
+ATOM     11  CA  MET A   2     -23.431  17.052 -15.692  1.00 84.78           C
+ATOM     12  C   MET A   2     -23.962  15.753 -15.084  1.00 83.69           C
+ATOM     13  O   MET A   2     -25.036  15.757 -14.494  1.00 81.45           O
+ATOM     14  CB  MET A   2     -23.161  18.152 -14.652  1.00 83.84           C
+ATOM     15  CG  MET A   2     -21.983  17.852 -13.737  1.00 73.33           C
+ATOM     16  SD  MET A   2     -21.418  19.304 -12.781  1.00 66.80           S
+ATOM     17  CE  MET A   2     -22.842  19.567 -11.686  1.00 59.80           C
+ATOM     18  N   GLN A   3     -23.270  14.635 -15.284  1.00 78.93           N
+ATOM     19  CA  GLN A   3     -23.681  13.332 -14.762  1.00 79.88           C
+ATOM     20  C   GLN A   3     -23.276  13.204 -13.293  1.00 80.54           C
+ATOM     21  O   GLN A   3     -22.172  13.600 -12.921  1.00 78.74           O
+ATOM     22  CB  GLN A   3     -23.077  12.198 -15.607  1.00 79.20           C
+ATOM     23  CG  GLN A   3     -23.668  12.162 -17.028  1.00 72.21           C
+ATOM     24  CD  GLN A   3     -23.141  11.006 -17.886  1.00 65.21           C
+ATOM     25  OE1 GLN A   3     -22.228  10.266 -17.530  1.00 62.15           O
+ATOM     26  NE2 GLN A   3     -23.690  10.806 -19.052  1.00 58.09           N
+ATOM     27  N   ASP A   4     -24.160  12.625 -12.468  1.00 81.63           N
+ATOM     28  CA  ASP A   4     -23.810  12.202 -11.118  1.00 79.93           C
+ATOM     29  C   ASP A   4     -22.909  10.950 -11.176  1.00 78.24           C
+ATOM     30  O   ASP A   4     -23.185   9.988 -11.907  1.00 74.69           O
+ATOM     31  CB  ASP A   4     -25.085  11.965 -10.285  1.00 77.53           C
+ATOM     32  CG  ASP A   4     -24.789  11.693  -8.808  1.00 72.19           C
+ATOM     33  OD1 ASP A   4     -23.667  12.018  -8.359  1.00 68.94           O
+ATOM     34  OD2 ASP A   4     -25.693  11.147  -8.130  1.00 68.62           O
+ATOM     35  N   TYR A   5     -21.774  10.981 -10.470  1.00 81.03           N
+ATOM     36  CA  TYR A   5     -20.837   9.860 -10.432  1.00 80.07           C
+ATOM     37  C   TYR A   5     -21.311   8.816  -9.430  1.00 80.90           C
+ATOM     38  O   TYR A   5     -21.595   9.127  -8.277  1.00 78.10           O
+ATOM     39  CB  TYR A   5     -19.413  10.334 -10.101  1.00 75.60           C
+ATOM     40  CG  TYR A   5     -18.686  10.972 -11.269  1.00 68.20           C
+ATOM     41  CD1 TYR A   5     -17.944  10.173 -12.168  1.00 63.72           C
+ATOM     42  CD2 TYR A   5     -18.754  12.363 -11.465  1.00 62.56           C
+ATOM     43  CE1 TYR A   5     -17.276  10.754 -13.249  1.00 56.11           C
+ATOM     44  CE2 TYR A   5     -18.083  12.947 -12.553  1.00 57.88           C
+ATOM     45  CZ  TYR A   5     -17.345  12.152 -13.451  1.00 55.56           C
+ATOM     46  OH  TYR A   5     -16.694  12.717 -14.501  1.00 54.94           O
+ATOM     47  N   LYS A   6     -21.317   7.529  -9.828  1.00 82.31           N
+ATOM     48  CA  LYS A   6     -21.594   6.421  -8.903  1.00 80.86           C
+ATOM     49  C   LYS A   6     -20.659   6.511  -7.696  1.00 82.01           C
+ATOM     50  O   LYS A   6     -19.439   6.368  -7.828  1.00 78.37           O
+ATOM     51  CB  LYS A   6     -21.438   5.058  -9.588  1.00 77.89           C
+ATOM     52  CG  LYS A   6     -22.579   4.772 -10.579  1.00 71.38           C
+ATOM     53  CD  LYS A   6     -22.461   3.352 -11.145  1.00 66.90           C
+ATOM     54  CE  LYS A   6     -23.620   3.084 -12.097  1.00 61.83           C
+ATOM     55  NZ  LYS A   6     -23.572   1.704 -12.655  1.00 53.33           N
+ATOM     56  N   GLN A   7     -21.236   6.721  -6.512  1.00 83.80           N
+ATOM     57  CA  GLN A   7     -20.487   6.799  -5.268  1.00 83.37           C
+ATOM     58  C   GLN A   7     -19.816   5.460  -4.963  1.00 84.87           C
+ATOM     59  O   GLN A   7     -20.394   4.387  -5.115  1.00 82.19           O
+ATOM     60  CB  GLN A   7     -21.390   7.270  -4.124  1.00 80.26           C
+ATOM     61  CG  GLN A   7     -21.905   8.709  -4.340  1.00 73.05           C
+ATOM     62  CD  GLN A   7     -22.672   9.253  -3.138  1.00 65.50           C
+ATOM     63  OE1 GLN A   7     -22.872   8.597  -2.135  1.00 61.96           O
+ATOM     64  NE2 GLN A   7     -23.118  10.481  -3.201  1.00 57.70           N
+ATOM     65  N   SER A   8     -18.553   5.514  -4.553  1.00 85.11           N
+ATOM     66  CA  SER A   8     -17.791   4.357  -4.098  1.00 85.53           C
+ATOM     67  C   SER A   8     -16.841   4.790  -2.990  1.00 87.51           C
+ATOM     68  O   SER A   8     -16.302   5.903  -3.045  1.00 86.20           O
+ATOM     69  CB  SER A   8     -17.018   3.696  -5.253  1.00 83.51           C
+ATOM     70  OG  SER A   8     -16.180   4.623  -5.926  1.00 81.20           O
+ATOM     71  N   LEU A   9     -16.629   3.924  -2.002  1.00 86.35           N
+ATOM     72  CA  LEU A   9     -15.663   4.188  -0.941  1.00 87.34           C
+ATOM     73  C   LEU A   9     -14.259   4.349  -1.538  1.00 89.06           C
+ATOM     74  O   LEU A   9     -13.841   3.588  -2.418  1.00 88.11           O
+ATOM     75  CB  LEU A   9     -15.705   3.070   0.108  1.00 85.68           C
+ATOM     76  CG  LEU A   9     -16.994   3.032   0.954  1.00 78.04           C
+ATOM     77  CD1 LEU A   9     -17.012   1.776   1.821  1.00 75.37           C
+ATOM     78  CD2 LEU A   9     -17.117   4.247   1.874  1.00 74.59           C
+ATOM     79  N   LYS A  10     -13.551   5.373  -1.061  1.00 90.39           N
+ATOM     80  CA  LYS A  10     -12.182   5.708  -1.438  1.00 91.38           C
+ATOM     81  C   LYS A  10     -11.274   5.589  -0.215  1.00 92.32           C
+ATOM     82  O   LYS A  10     -11.726   5.808   0.901  1.00 90.64           O
+ATOM     83  CB  LYS A  10     -12.120   7.116  -2.058  1.00 90.32           C
+ATOM     84  CG  LYS A  10     -12.999   7.297  -3.310  1.00 89.76           C
+ATOM     85  CD  LYS A  10     -12.647   6.321  -4.432  1.00 86.93           C
+ATOM     86  CE  LYS A  10     -13.542   6.598  -5.642  1.00 84.82           C
+ATOM     87  NZ  LYS A  10     -13.298   5.610  -6.721  1.00 78.24           N
+ATOM     88  N   TYR A  11     -10.018   5.220  -0.455  1.00 92.77           N
+ATOM     89  CA  TYR A  11      -9.037   4.882   0.573  1.00 93.10           C
+ATOM     90  C   TYR A  11      -7.739   5.660   0.335  1.00 93.46           C
+ATOM     91  O   TYR A  11      -6.683   5.071   0.134  1.00 89.46           O
+ATOM     92  CB  TYR A  11      -8.829   3.366   0.601  1.00 92.06           C
+ATOM     93  CG  TYR A  11     -10.104   2.549   0.716  1.00 91.99           C
+ATOM     94  CD1 TYR A  11     -10.799   2.510   1.937  1.00 88.50           C
+ATOM     95  CD2 TYR A  11     -10.591   1.841  -0.395  1.00 89.37           C
+ATOM     96  CE1 TYR A  11     -11.973   1.740   2.053  1.00 86.71           C
+ATOM     97  CE2 TYR A  11     -11.768   1.077  -0.282  1.00 87.22           C
+ATOM     98  CZ  TYR A  11     -12.456   1.017   0.941  1.00 86.88           C
+ATOM     99  OH  TYR A  11     -13.580   0.261   1.060  1.00 84.73           O
+ATOM    100  N   GLU A  12      -7.852   6.993   0.296  1.00 92.05           N
+ATOM    101  CA  GLU A  12      -6.724   7.911   0.167  1.00 93.37           C
+ATOM    102  C   GLU A  12      -5.922   7.725  -1.138  1.00 93.91           C
+ATOM    103  O   GLU A  12      -6.493   7.610  -2.237  1.00 92.43           O
+ATOM    104  CB  GLU A  12      -5.850   7.880   1.429  1.00 92.25           C
+ATOM    105  CG  GLU A  12      -6.633   8.082   2.740  1.00 88.02           C
+ATOM    106  CD  GLU A  12      -5.711   7.954   3.964  1.00 85.12           C
+ATOM    107  OE1 GLU A  12      -6.022   8.618   4.972  1.00 75.22           O
+ATOM    108  OE2 GLU A  12      -4.732   7.179   3.881  1.00 76.70           O
+ATOM    109  N   THR A  13      -4.591   7.696  -1.053  1.00 92.60           N
+ATOM    110  CA  THR A  13      -3.649   7.685  -2.176  1.00 94.23           C
+ATOM    111  C   THR A  13      -3.936   6.536  -3.147  1.00 94.36           C
+ATOM    112  O   THR A  13      -4.104   5.384  -2.759  1.00 93.66           O
+ATOM    113  CB  THR A  13      -2.207   7.606  -1.672  1.00 94.57           C
+ATOM    114  OG1 THR A  13      -1.998   8.573  -0.683  1.00 92.81           O
+ATOM    115  CG2 THR A  13      -1.179   7.889  -2.776  1.00 92.46           C
+ATOM    116  N   PHE A  14      -3.993   6.846  -4.433  1.00 93.78           N
+ATOM    117  CA  PHE A  14      -4.260   5.945  -5.556  1.00 93.26           C
+ATOM    118  C   PHE A  14      -5.653   5.282  -5.594  1.00 92.74           C
+ATOM    119  O   PHE A  14      -5.966   4.602  -6.568  1.00 89.74           O
+ATOM    120  CB  PHE A  14      -3.138   4.909  -5.706  1.00 92.60           C
+ATOM    121  CG  PHE A  14      -1.727   5.469  -5.751  1.00 93.05           C
+ATOM    122  CD1 PHE A  14      -1.427   6.606  -6.528  1.00 89.78           C
+ATOM    123  CD2 PHE A  14      -0.702   4.838  -5.029  1.00 90.24           C
+ATOM    124  CE1 PHE A  14      -0.121   7.103  -6.581  1.00 88.76           C
+ATOM    125  CE2 PHE A  14       0.612   5.334  -5.087  1.00 89.25           C
+ATOM    126  CZ  PHE A  14       0.902   6.472  -5.856  1.00 91.85           C
+ATOM    127  N   SER A  15      -6.542   5.524  -4.630  1.00 93.57           N
+ATOM    128  CA  SER A  15      -7.861   4.882  -4.581  1.00 91.66           C
+ATOM    129  C   SER A  15      -8.832   5.320  -5.688  1.00 90.88           C
+ATOM    130  O   SER A  15      -9.833   4.636  -5.934  1.00 89.72           O
+ATOM    131  CB  SER A  15      -8.492   5.103  -3.211  1.00 91.11           C
+ATOM    132  OG  SER A  15      -8.741   6.468  -3.004  1.00 87.08           O
+ATOM    133  N   TYR A  16      -8.543   6.419  -6.396  1.00 91.94           N
+ATOM    134  CA  TYR A  16      -9.254   6.865  -7.591  1.00 91.44           C
+ATOM    135  C   TYR A  16      -8.750   6.206  -8.888  1.00 91.23           C
+ATOM    136  O   TYR A  16      -9.414   6.305  -9.918  1.00 89.52           O
+ATOM    137  CB  TYR A  16      -9.166   8.394  -7.703  1.00 90.18           C
+ATOM    138  CG  TYR A  16      -9.994   9.121  -6.661  1.00 87.88           C
+ATOM    139  CD1 TYR A  16     -11.304   9.526  -6.968  1.00 84.13           C
+ATOM    140  CD2 TYR A  16      -9.466   9.382  -5.384  1.00 84.78           C
+ATOM    141  CE1 TYR A  16     -12.082  10.192  -6.008  1.00 81.34           C
+ATOM    142  CE2 TYR A  16     -10.245  10.036  -4.415  1.00 80.74           C
+ATOM    143  CZ  TYR A  16     -11.551  10.446  -4.732  1.00 82.42           C
+ATOM    144  OH  TYR A  16     -12.304  11.080  -3.795  1.00 79.50           O
+ATOM    145  N   LEU A  17      -7.601   5.532  -8.842  1.00 90.76           N
+ATOM    146  CA  LEU A  17      -7.062   4.771  -9.964  1.00 90.11           C
+ATOM    147  C   LEU A  17      -7.669   3.357  -9.994  1.00 89.88           C
+ATOM    148  O   LEU A  17      -8.159   2.865  -8.975  1.00 89.15           O
+ATOM    149  CB  LEU A  17      -5.526   4.739  -9.885  1.00 90.42           C
+ATOM    150  CG  LEU A  17      -4.840   6.122  -9.883  1.00 88.75           C
+ATOM    151  CD1 LEU A  17      -3.327   5.938  -9.823  1.00 86.56           C
+ATOM    152  CD2 LEU A  17      -5.178   6.943 -11.127  1.00 86.45           C
+ATOM    153  N   PRO A  18      -7.618   2.658 -11.150  1.00 90.91           N
+ATOM    154  CA  PRO A  18      -7.877   1.221 -11.189  1.00 89.94           C
+ATOM    155  C   PRO A  18      -6.983   0.474 -10.186  1.00 90.56           C
+ATOM    156  O   PRO A  18      -5.858   0.906  -9.938  1.00 89.72           O
+ATOM    157  CB  PRO A  18      -7.582   0.786 -12.628  1.00 88.83           C
+ATOM    158  CG  PRO A  18      -7.762   2.075 -13.435  1.00 86.93           C
+ATOM    159  CD  PRO A  18      -7.269   3.153 -12.467  1.00 89.00           C
+ATOM    160  N   PRO A  19      -7.451  -0.677  -9.627  1.00 89.69           N
+ATOM    161  CA  PRO A  19      -6.635  -1.499  -8.735  1.00 88.94           C
+ATOM    162  C   PRO A  19      -5.250  -1.771  -9.338  1.00 90.61           C
+ATOM    163  O   PRO A  19      -5.115  -2.057 -10.531  1.00 89.40           O
+ATOM    164  CB  PRO A  19      -7.422  -2.792  -8.507  1.00 86.53           C
+ATOM    165  CG  PRO A  19      -8.869  -2.341  -8.703  1.00 82.85           C
+ATOM    166  CD  PRO A  19      -8.768  -1.271  -9.788  1.00 85.69           C
+ATOM    167  N   MET A  20      -4.213  -1.636  -8.507  1.00 89.35           N
+ATOM    168  CA  MET A  20      -2.849  -1.837  -8.969  1.00 89.89           C
+ATOM    169  C   MET A  20      -2.593  -3.316  -9.276  1.00 90.64           C
+ATOM    170  O   MET A  20      -2.950  -4.189  -8.503  1.00 89.33           O
+ATOM    171  CB  MET A  20      -1.837  -1.313  -7.946  1.00 89.07           C
+ATOM    172  CG  MET A  20      -1.863   0.213  -7.847  1.00 86.15           C
+ATOM    173  SD  MET A  20      -0.412   0.867  -6.993  1.00 85.17           S
+ATOM    174  CE  MET A  20      -0.778   2.626  -7.084  1.00 78.70           C
+ATOM    175  N   ASN A  21      -1.917  -3.582 -10.396  1.00 90.94           N
+ATOM    176  CA  ASN A  21      -1.342  -4.894 -10.679  1.00 90.97           C
+ATOM    177  C   ASN A  21      -0.006  -5.069  -9.934  1.00 92.27           C
+ATOM    178  O   ASN A  21       0.562  -4.109  -9.400  1.00 92.41           O
+ATOM    179  CB  ASN A  21      -1.238  -5.091 -12.214  1.00 90.21           C
+ATOM    180  CG  ASN A  21      -0.260  -4.170 -12.906  1.00 89.98           C
+ATOM    181  OD1 ASN A  21       0.463  -3.394 -12.304  1.00 85.95           O
+ATOM    182  ND2 ASN A  21      -0.188  -4.219 -14.216  1.00 85.58           N
+ATOM    183  N   ALA A  22       0.534  -6.296  -9.935  1.00 91.14           N
+ATOM    184  CA  ALA A  22       1.785  -6.620  -9.249  1.00 91.29           C
+ATOM    185  C   ALA A  22       2.975  -5.754  -9.711  1.00 93.31           C
+ATOM    186  O   ALA A  22       3.808  -5.367  -8.898  1.00 93.33           O
+ATOM    187  CB  ALA A  22       2.071  -8.111  -9.467  1.00 89.43           C
+ATOM    188  N   GLU A  23       3.029  -5.390 -10.995  1.00 93.46           N
+ATOM    189  CA  GLU A  23       4.082  -4.534 -11.555  1.00 94.51           C
+ATOM    190  C   GLU A  23       4.052  -3.118 -10.966  1.00 95.74           C
+ATOM    191  O   GLU A  23       5.076  -2.576 -10.559  1.00 95.70           O
+ATOM    192  CB  GLU A  23       3.911  -4.494 -13.072  1.00 93.78           C
+ATOM    193  CG  GLU A  23       5.050  -3.756 -13.782  1.00 81.22           C
+ATOM    194  CD  GLU A  23       4.807  -3.612 -15.291  1.00 73.75           C
+ATOM    195  OE1 GLU A  23       5.707  -3.065 -15.954  1.00 66.14           O
+ATOM    196  OE2 GLU A  23       3.711  -4.012 -15.758  1.00 66.50           O
+ATOM    197  N   ARG A  24       2.855  -2.516 -10.852  1.00 96.38           N
+ATOM    198  CA  ARG A  24       2.690  -1.187 -10.259  1.00 96.21           C
+ATOM    199  C   ARG A  24       3.004  -1.193  -8.763  1.00 96.89           C
+ATOM    200  O   ARG A  24       3.655  -0.265  -8.290  1.00 96.47           O
+ATOM    201  CB  ARG A  24       1.270  -0.674 -10.509  1.00 95.26           C
+ATOM    202  CG  ARG A  24       1.053  -0.256 -11.969  1.00 90.15           C
+ATOM    203  CD  ARG A  24      -0.414   0.159 -12.163  1.00 86.01           C
+ATOM    204  NE  ARG A  24      -0.693   0.555 -13.539  1.00 77.92           N
+ATOM    205  CZ  ARG A  24      -1.835   1.074 -13.992  1.00 70.64           C
+ATOM    206  NH1 ARG A  24      -2.849   1.284 -13.196  1.00 66.03           N
+ATOM    207  NH2 ARG A  24      -1.966   1.386 -15.247  1.00 62.01           N
+ATOM    208  N   ILE A  25       2.587  -2.231  -8.036  1.00 95.00           N
+ATOM    209  CA  ILE A  25       2.932  -2.397  -6.616  1.00 95.25           C
+ATOM    210  C   ILE A  25       4.451  -2.504  -6.458  1.00 96.30           C
+ATOM    211  O   ILE A  25       5.040  -1.771  -5.665  1.00 96.58           O
+ATOM    212  CB  ILE A  25       2.198  -3.620  -6.020  1.00 95.06           C
+ATOM    213  CG1 ILE A  25       0.666  -3.418  -6.059  1.00 93.87           C
+ATOM    214  CG2 ILE A  25       2.649  -3.867  -4.574  1.00 93.99           C
+ATOM    215  CD1 ILE A  25      -0.118  -4.726  -5.902  1.00 90.77           C
+ATOM    216  N   ARG A  26       5.105  -3.344  -7.277  1.00 96.52           N
+ATOM    217  CA  ARG A  26       6.567  -3.480  -7.317  1.00 96.83           C
+ATOM    218  C   ARG A  26       7.264  -2.143  -7.560  1.00 97.34           C
+ATOM    219  O   ARG A  26       8.246  -1.840  -6.884  1.00 97.24           O
+ATOM    220  CB  ARG A  26       6.936  -4.510  -8.406  1.00 96.20           C
+ATOM    221  CG  ARG A  26       8.461  -4.655  -8.598  1.00 92.57           C
+ATOM    222  CD  ARG A  26       8.809  -5.657  -9.716  1.00 92.96           C
+ATOM    223  NE  ARG A  26       8.396  -7.024  -9.352  1.00 89.24           N
+ATOM    224  CZ  ARG A  26       9.049  -7.864  -8.566  1.00 88.48           C
+ATOM    225  NH1 ARG A  26      10.194  -7.585  -8.009  1.00 77.19           N
+ATOM    226  NH2 ARG A  26       8.555  -9.044  -8.327  1.00 79.19           N
+ATOM    227  N   ALA A  27       6.772  -1.335  -8.497  1.00 97.38           N
+ATOM    228  CA  ALA A  27       7.331  -0.018  -8.789  1.00 97.58           C
+ATOM    229  C   ALA A  27       7.268   0.915  -7.567  1.00 97.93           C
+ATOM    230  O   ALA A  27       8.239   1.622  -7.299  1.00 97.93           O
+ATOM    231  CB  ALA A  27       6.612   0.568 -10.007  1.00 97.38           C
+ATOM    232  N   GLN A  28       6.165   0.892  -6.791  1.00 97.61           N
+ATOM    233  CA  GLN A  28       6.039   1.696  -5.569  1.00 97.70           C
+ATOM    234  C   GLN A  28       6.975   1.217  -4.451  1.00 97.96           C
+ATOM    235  O   GLN A  28       7.592   2.040  -3.787  1.00 97.95           O
+ATOM    236  CB  GLN A  28       4.586   1.714  -5.072  1.00 97.65           C
+ATOM    237  CG  GLN A  28       3.595   2.385  -6.036  1.00 96.10           C
+ATOM    238  CD  GLN A  28       4.031   3.771  -6.470  1.00 96.07           C
+ATOM    239  OE1 GLN A  28       4.306   4.646  -5.673  1.00 90.49           O
+ATOM    240  NE2 GLN A  28       4.128   4.024  -7.763  1.00 88.86           N
+ATOM    241  N   ILE A  29       7.135  -0.101  -4.266  1.00 97.63           N
+ATOM    242  CA  ILE A  29       8.096  -0.651  -3.291  1.00 97.61           C
+ATOM    243  C   ILE A  29       9.521  -0.251  -3.676  1.00 97.78           C
+ATOM    244  O   ILE A  29      10.277   0.236  -2.843  1.00 97.69           O
+ATOM    245  CB  ILE A  29       7.954  -2.182  -3.179  1.00 97.60           C
+ATOM    246  CG1 ILE A  29       6.560  -2.584  -2.651  1.00 96.86           C
+ATOM    247  CG2 ILE A  29       9.037  -2.757  -2.249  1.00 96.86           C
+ATOM    248  CD1 ILE A  29       6.216  -4.049  -2.945  1.00 95.67           C
+ATOM    249  N   LYS A  30       9.880  -0.397  -4.962  1.00 98.09           N
+ATOM    250  CA  LYS A  30      11.186   0.016  -5.479  1.00 97.98           C
+ATOM    251  C   LYS A  30      11.449   1.503  -5.249  1.00 98.02           C
+ATOM    252  O   LYS A  30      12.556   1.866  -4.878  1.00 97.78           O
+ATOM    253  CB  LYS A  30      11.290  -0.355  -6.968  1.00 97.13           C
+ATOM    254  CG  LYS A  30      12.688  -0.063  -7.535  1.00 87.22           C
+ATOM    255  CD  LYS A  30      12.803  -0.468  -9.004  1.00 88.50           C
+ATOM    256  CE  LYS A  30      14.205  -0.142  -9.506  1.00 77.88           C
+ATOM    257  NZ  LYS A  30      14.388  -0.496 -10.931  1.00 70.50           N
+ATOM    258  N   TYR A  31      10.430   2.345  -5.466  1.00 98.21           N
+ATOM    259  CA  TYR A  31      10.514   3.773  -5.183  1.00 98.21           C
+ATOM    260  C   TYR A  31      10.782   4.043  -3.704  1.00 98.36           C
+ATOM    261  O   TYR A  31      11.736   4.747  -3.390  1.00 98.23           O
+ATOM    262  CB  TYR A  31       9.242   4.473  -5.673  1.00 98.15           C
+ATOM    263  CG  TYR A  31       9.149   5.926  -5.237  1.00 97.64           C
+ATOM    264  CD1 TYR A  31       8.306   6.279  -4.160  1.00 96.33           C
+ATOM    265  CD2 TYR A  31       9.932   6.903  -5.868  1.00 96.59           C
+ATOM    266  CE1 TYR A  31       8.250   7.614  -3.725  1.00 95.58           C
+ATOM    267  CE2 TYR A  31       9.876   8.237  -5.437  1.00 95.50           C
+ATOM    268  CZ  TYR A  31       9.037   8.599  -4.366  1.00 95.46           C
+ATOM    269  OH  TYR A  31       8.984   9.883  -3.942  1.00 94.03           O
+ATOM    270  N   ALA A  32      10.008   3.433  -2.789  1.00 98.10           N
+ATOM    271  CA  ALA A  32      10.188   3.609  -1.347  1.00 98.08           C
+ATOM    272  C   ALA A  32      11.604   3.222  -0.888  1.00 98.17           C
+ATOM    273  O   ALA A  32      12.269   4.002  -0.214  1.00 97.93           O
+ATOM    274  CB  ALA A  32       9.111   2.786  -0.628  1.00 97.99           C
+ATOM    275  N   ILE A  33      12.103   2.052  -1.326  1.00 98.06           N
+ATOM    276  CA  ILE A  33      13.470   1.596  -1.038  1.00 97.81           C
+ATOM    277  C   ILE A  33      14.514   2.569  -1.597  1.00 97.75           C
+ATOM    278  O   ILE A  33      15.464   2.911  -0.905  1.00 97.31           O
+ATOM    279  CB  ILE A  33      13.653   0.159  -1.583  1.00 97.74           C
+ATOM    280  CG1 ILE A  33      12.800  -0.838  -0.756  1.00 97.35           C
+ATOM    281  CG2 ILE A  33      15.130  -0.264  -1.571  1.00 97.08           C
+ATOM    282  CD1 ILE A  33      12.759  -2.266  -1.329  1.00 96.36           C
+ATOM    283  N   ALA A  34      14.322   3.072  -2.824  1.00 98.07           N
+ATOM    284  CA  ALA A  34      15.241   4.028  -3.431  1.00 97.82           C
+ATOM    285  C   ALA A  34      15.281   5.390  -2.711  1.00 97.75           C
+ATOM    286  O   ALA A  34      16.295   6.086  -2.796  1.00 97.31           O
+ATOM    287  CB  ALA A  34      14.867   4.205  -4.914  1.00 97.73           C
+ATOM    288  N   GLN A  35      14.214   5.761  -1.991  1.00 97.82           N
+ATOM    289  CA  GLN A  35      14.203   6.935  -1.111  1.00 97.60           C
+ATOM    290  C   GLN A  35      14.882   6.678   0.246  1.00 97.65           C
+ATOM    291  O   GLN A  35      14.995   7.595   1.052  1.00 97.04           O
+ATOM    292  CB  GLN A  35      12.758   7.426  -0.892  1.00 97.58           C
+ATOM    293  CG  GLN A  35      12.028   7.923  -2.148  1.00 96.43           C
+ATOM    294  CD  GLN A  35      12.824   8.936  -2.951  1.00 95.71           C
+ATOM    295  OE1 GLN A  35      13.059  10.060  -2.546  1.00 89.87           O
+ATOM    296  NE2 GLN A  35      13.291   8.583  -4.134  1.00 89.23           N
+ATOM    297  N   GLY A  36      15.312   5.433   0.528  1.00 97.86           N
+ATOM    298  CA  GLY A  36      15.844   5.040   1.837  1.00 97.41           C
+ATOM    299  C   GLY A  36      14.774   4.817   2.907  1.00 97.78           C
+ATOM    300  O   GLY A  36      15.094   4.747   4.089  1.00 97.09           O
+ATOM    301  N   TRP A  37      13.489   4.728   2.505  1.00 98.02           N
+ATOM    302  CA  TRP A  37      12.386   4.489   3.424  1.00 98.17           C
+ATOM    303  C   TRP A  37      12.262   3.004   3.777  1.00 98.12           C
+ATOM    304  O   TRP A  37      12.569   2.124   2.972  1.00 97.86           O
+ATOM    305  CB  TRP A  37      11.077   5.024   2.841  1.00 98.09           C
+ATOM    306  CG  TRP A  37      11.051   6.488   2.504  1.00 98.11           C
+ATOM    307  CD1 TRP A  37      11.861   7.443   3.015  1.00 97.41           C
+ATOM    308  CD2 TRP A  37      10.169   7.181   1.572  1.00 97.93           C
+ATOM    309  NE1 TRP A  37      11.556   8.668   2.453  1.00 97.14           N
+ATOM    310  CE2 TRP A  37      10.523   8.564   1.559  1.00 97.59           C
+ATOM    311  CE3 TRP A  37       9.116   6.772   0.726  1.00 97.40           C
+ATOM    312  CZ2 TRP A  37       9.865   9.506   0.740  1.00 97.02           C
+ATOM    313  CZ3 TRP A  37       8.444   7.707  -0.093  1.00 97.01           C
+ATOM    314  CH2 TRP A  37       8.820   9.068  -0.096  1.00 96.71           C
+ATOM    315  N   SER A  38      11.762   2.702   4.983  1.00 98.25           N
+ATOM    316  CA  SER A  38      11.504   1.338   5.442  1.00 98.25           C
+ATOM    317  C   SER A  38      10.061   0.941   5.120  1.00 98.44           C
+ATOM    318  O   SER A  38       9.137   1.505   5.716  1.00 98.22           O
+ATOM    319  CB  SER A  38      11.758   1.225   6.945  1.00 97.91           C
+ATOM    320  OG  SER A  38      13.118   1.485   7.220  1.00 96.15           O
+ATOM    321  N   PRO A  39       9.800  -0.017   4.191  1.00 98.23           N
+ATOM    322  CA  PRO A  39       8.452  -0.474   3.909  1.00 98.11           C
+ATOM    323  C   PRO A  39       7.818  -1.148   5.129  1.00 98.20           C
+ATOM    324  O   PRO A  39       8.492  -1.750   5.960  1.00 98.13           O
+ATOM    325  CB  PRO A  39       8.561  -1.421   2.708  1.00 97.93           C
+ATOM    326  CG  PRO A  39       9.917  -1.078   2.090  1.00 97.07           C
+ATOM    327  CD  PRO A  39      10.744  -0.668   3.303  1.00 97.95           C
+ATOM    328  N   GLY A  40       6.498  -1.071   5.236  1.00 98.48           N
+ATOM    329  CA  GLY A  40       5.697  -1.762   6.241  1.00 98.47           C
+ATOM    330  C   GLY A  40       4.357  -2.188   5.641  1.00 98.62           C
+ATOM    331  O   GLY A  40       3.914  -1.634   4.640  1.00 98.36           O
+ATOM    332  N   ILE A  41       3.710  -3.187   6.236  1.00 98.55           N
+ATOM    333  CA  ILE A  41       2.409  -3.685   5.785  1.00 98.62           C
+ATOM    334  C   ILE A  41       1.429  -3.562   6.940  1.00 98.79           C
+ATOM    335  O   ILE A  41       1.707  -3.991   8.057  1.00 98.60           O
+ATOM    336  CB  ILE A  41       2.516  -5.131   5.256  1.00 98.57           C
+ATOM    337  CG1 ILE A  41       3.500  -5.223   4.067  1.00 97.83           C
+ATOM    338  CG2 ILE A  41       1.129  -5.650   4.830  1.00 97.97           C
+ATOM    339  CD1 ILE A  41       4.010  -6.649   3.831  1.00 96.39           C
+ATOM    340  N   GLU A  42       0.263  -2.977   6.650  1.00 98.65           N
+ATOM    341  CA  GLU A  42      -0.840  -2.856   7.588  1.00 98.68           C
+ATOM    342  C   GLU A  42      -2.082  -3.533   7.005  1.00 98.61           C
+ATOM    343  O   GLU A  42      -2.280  -3.575   5.793  1.00 98.46           O
+ATOM    344  CB  GLU A  42      -1.113  -1.391   7.899  1.00 98.52           C
+ATOM    345  CG  GLU A  42       0.029  -0.698   8.658  1.00 97.68           C
+ATOM    346  CD  GLU A  42      -0.277   0.781   8.977  1.00 97.35           C
+ATOM    347  OE1 GLU A  42       0.513   1.399   9.720  1.00 93.03           O
+ATOM    348  OE2 GLU A  42      -1.291   1.322   8.471  1.00 93.82           O
+ATOM    349  N   HIS A  43      -2.957  -4.036   7.882  1.00 98.48           N
+ATOM    350  CA  HIS A  43      -4.225  -4.633   7.470  1.00 98.43           C
+ATOM    351  C   HIS A  43      -5.350  -4.300   8.449  1.00 98.59           C
+ATOM    352  O   HIS A  43      -5.104  -4.008   9.617  1.00 98.43           O
+ATOM    353  CB  HIS A  43      -4.056  -6.139   7.263  1.00 98.43           C
+ATOM    354  CG  HIS A  43      -3.871  -6.902   8.551  1.00 98.56           C
+ATOM    355  ND1 HIS A  43      -4.859  -7.533   9.256  1.00 95.50           N
+ATOM    356  CD2 HIS A  43      -2.702  -7.068   9.242  1.00 95.75           C
+ATOM    357  CE1 HIS A  43      -4.300  -8.083  10.355  1.00 96.34           C
+ATOM    358  NE2 HIS A  43      -2.990  -7.809  10.385  1.00 96.82           N
+ATOM    359  N   VAL A  44      -6.610  -4.333   7.986  1.00 98.52           N
+ATOM    360  CA  VAL A  44      -7.777  -4.089   8.831  1.00 98.40           C
+ATOM    361  C   VAL A  44      -9.054  -4.640   8.191  1.00 98.43           C
+ATOM    362  O   VAL A  44      -9.147  -4.759   6.965  1.00 98.25           O
+ATOM    363  CB  VAL A  44      -7.910  -2.583   9.119  1.00 98.13           C
+ATOM    364  CG1 VAL A  44      -8.515  -1.775   7.959  1.00 97.05           C
+ATOM    365  CG2 VAL A  44      -8.715  -2.299  10.382  1.00 96.80           C
+ATOM    366  N   GLU A  45     -10.069  -4.960   8.997  1.00 98.18           N
+ATOM    367  CA  GLU A  45     -11.399  -5.288   8.488  1.00 97.91           C
+ATOM    368  C   GLU A  45     -12.001  -4.097   7.718  1.00 97.64           C
+ATOM    369  O   GLU A  45     -11.880  -2.946   8.153  1.00 97.08           O
+ATOM    370  CB  GLU A  45     -12.374  -5.686   9.605  1.00 97.83           C
+ATOM    371  CG  GLU A  45     -11.847  -6.781  10.558  1.00 96.49           C
+ATOM    372  CD  GLU A  45     -11.090  -6.218  11.773  1.00 96.60           C
+ATOM    373  OE1 GLU A  45     -11.003  -6.958  12.771  1.00 91.92           O
+ATOM    374  OE2 GLU A  45     -10.682  -5.039  11.750  1.00 93.64           O
+ATOM    375  N   VAL A  46     -12.735  -4.361   6.626  1.00 96.88           N
+ATOM    376  CA  VAL A  46     -13.309  -3.308   5.760  1.00 96.24           C
+ATOM    377  C   VAL A  46     -14.134  -2.287   6.548  1.00 96.28           C
+ATOM    378  O   VAL A  46     -13.990  -1.085   6.340  1.00 95.14           O
+ATOM    379  CB  VAL A  46     -14.172  -3.943   4.650  1.00 94.90           C
+ATOM    380  CG1 VAL A  46     -14.837  -2.891   3.758  1.00 91.86           C
+ATOM    381  CG2 VAL A  46     -13.313  -4.839   3.758  1.00 92.42           C
+ATOM    382  N   LYS A  47     -14.946  -2.746   7.528  1.00 96.49           N
+ATOM    383  CA  LYS A  47     -15.771  -1.882   8.393  1.00 95.82           C
+ATOM    384  C   LYS A  47     -14.958  -0.874   9.221  1.00 96.05           C
+ATOM    385  O   LYS A  47     -15.507   0.130   9.647  1.00 95.43           O
+ATOM    386  CB  LYS A  47     -16.664  -2.758   9.295  1.00 95.61           C
+ATOM    387  CG  LYS A  47     -15.848  -3.540  10.333  1.00 92.29           C
+ATOM    388  CD  LYS A  47     -16.719  -4.406  11.256  1.00 89.36           C
+ATOM    389  CE  LYS A  47     -15.774  -5.070  12.268  1.00 83.74           C
+ATOM    390  NZ  LYS A  47     -16.482  -5.944  13.220  1.00 75.19           N
+ATOM    391  N   ASN A  48     -13.678  -1.155   9.451  1.00 96.13           N
+ATOM    392  CA  ASN A  48     -12.763  -0.341  10.256  1.00 96.67           C
+ATOM    393  C   ASN A  48     -11.727   0.401   9.397  1.00 96.91           C
+ATOM    394  O   ASN A  48     -10.771   0.960   9.929  1.00 96.30           O
+ATOM    395  CB  ASN A  48     -12.103  -1.255  11.306  1.00 96.76           C
+ATOM    396  CG  ASN A  48     -13.049  -1.847  12.334  1.00 96.29           C
+ATOM    397  OD1 ASN A  48     -14.104  -1.324  12.652  1.00 91.39           O
+ATOM    398  ND2 ASN A  48     -12.690  -2.972  12.910  1.00 91.32           N
+ATOM    399  N   SER A  49     -11.883   0.426   8.066  1.00 96.28           N
+ATOM    400  CA  SER A  49     -10.901   0.993   7.131  1.00 95.50           C
+ATOM    401  C   SER A  49     -10.632   2.491   7.309  1.00 95.89           C
+ATOM    402  O   SER A  49      -9.595   2.969   6.874  1.00 94.40           O
+ATOM    403  CB  SER A  49     -11.322   0.721   5.684  1.00 93.82           C
+ATOM    404  OG  SER A  49     -12.615   1.226   5.418  1.00 84.78           O
+ATOM    405  N   MET A  50     -11.539   3.211   7.975  1.00 95.26           N
+ATOM    406  CA  MET A  50     -11.393   4.645   8.270  1.00 94.47           C
+ATOM    407  C   MET A  50     -10.748   4.923   9.638  1.00 95.10           C
+ATOM    408  O   MET A  50     -10.617   6.087  10.018  1.00 93.38           O
+ATOM    409  CB  MET A  50     -12.766   5.338   8.150  1.00 92.75           C
+ATOM    410  CG  MET A  50     -13.419   5.168   6.770  1.00 88.91           C
+ATOM    411  SD  MET A  50     -12.442   5.701   5.326  1.00 81.92           S
+ATOM    412  CE  MET A  50     -12.232   7.463   5.669  1.00 73.39           C
+ATOM    413  N   ASN A  51     -10.358   3.884  10.386  1.00 94.70           N
+ATOM    414  CA  ASN A  51      -9.663   4.066  11.659  1.00 95.25           C
+ATOM    415  C   ASN A  51      -8.270   4.656  11.427  1.00 95.68           C
+ATOM    416  O   ASN A  51      -7.587   4.333  10.454  1.00 95.13           O
+ATOM    417  CB  ASN A  51      -9.576   2.729  12.420  1.00 95.16           C
+ATOM    418  CG  ASN A  51     -10.889   2.274  13.026  1.00 93.37           C
+ATOM    419  OD1 ASN A  51     -11.929   2.904  12.954  1.00 89.28           O
+ATOM    420  ND2 ASN A  51     -10.869   1.146  13.691  1.00 88.97           N
+ATOM    421  N   GLN A  52      -7.810   5.466  12.391  1.00 95.88           N
+ATOM    422  CA  GLN A  52      -6.480   6.093  12.375  1.00 95.52           C
+ATOM    423  C   GLN A  52      -5.340   5.066  12.340  1.00 96.25           C
+ATOM    424  O   GLN A  52      -4.332   5.291  11.679  1.00 95.11           O
+ATOM    425  CB  GLN A  52      -6.365   6.975  13.641  1.00 94.15           C
+ATOM    426  CG  GLN A  52      -5.032   7.731  13.739  1.00 83.58           C
+ATOM    427  CD  GLN A  52      -4.833   8.751  12.612  1.00 76.79           C
+ATOM    428  OE1 GLN A  52      -5.771   9.298  12.057  1.00 69.86           O
+ATOM    429  NE2 GLN A  52      -3.616   9.041  12.240  1.00 66.29           N
+ATOM    430  N   TYR A  53      -5.500   3.949  13.064  1.00 96.63           N
+ATOM    431  CA  TYR A  53      -4.512   2.876  13.147  1.00 97.01           C
+ATOM    432  C   TYR A  53      -5.084   1.570  12.614  1.00 97.38           C
+ATOM    433  O   TYR A  53      -6.207   1.183  12.961  1.00 96.54           O
+ATOM    434  CB  TYR A  53      -4.013   2.716  14.586  1.00 96.48           C
+ATOM    435  CG  TYR A  53      -3.341   3.951  15.136  1.00 95.23           C
+ATOM    436  CD1 TYR A  53      -2.102   4.384  14.604  1.00 91.10           C
+ATOM    437  CD2 TYR A  53      -3.936   4.697  16.173  1.00 90.74           C
+ATOM    438  CE1 TYR A  53      -1.473   5.538  15.099  1.00 89.33           C
+ATOM    439  CE2 TYR A  53      -3.316   5.852  16.671  1.00 89.31           C
+ATOM    440  CZ  TYR A  53      -2.084   6.272  16.132  1.00 90.47           C
+ATOM    441  OH  TYR A  53      -1.480   7.402  16.608  1.00 88.31           O
+ATOM    442  N   TRP A  54      -4.308   0.887  11.789  1.00 98.25           N
+ATOM    443  CA  TRP A  54      -4.538  -0.469  11.328  1.00 98.35           C
+ATOM    444  C   TRP A  54      -3.593  -1.427  12.061  1.00 98.49           C
+ATOM    445  O   TRP A  54      -2.641  -0.997  12.710  1.00 98.20           O
+ATOM    446  CB  TRP A  54      -4.356  -0.509   9.808  1.00 98.18           C
+ATOM    447  CG  TRP A  54      -5.373   0.216   8.967  1.00 98.07           C
+ATOM    448  CD1 TRP A  54      -6.186   1.215   9.358  1.00 97.50           C
+ATOM    449  CD2 TRP A  54      -5.664  -0.003   7.554  1.00 97.84           C
+ATOM    450  NE1 TRP A  54      -6.957   1.641   8.288  1.00 97.02           N
+ATOM    451  CE2 TRP A  54      -6.671   0.919   7.149  1.00 97.30           C
+ATOM    452  CE3 TRP A  54      -5.177  -0.891   6.574  1.00 97.08           C
+ATOM    453  CZ2 TRP A  54      -7.167   0.962   5.844  1.00 96.35           C
+ATOM    454  CZ3 TRP A  54      -5.674  -0.858   5.260  1.00 96.21           C
+ATOM    455  CH2 TRP A  54      -6.666   0.066   4.895  1.00 95.88           C
+ATOM    456  N   TYR A  55      -3.849  -2.744  11.958  1.00 98.54           N
+ATOM    457  CA  TYR A  55      -2.955  -3.751  12.524  1.00 98.57           C
+ATOM    458  C   TYR A  55      -1.659  -3.806  11.705  1.00 98.67           C
+ATOM    459  O   TYR A  55      -1.710  -3.944  10.485  1.00 98.49           O
+ATOM    460  CB  TYR A  55      -3.631  -5.116  12.561  1.00 98.37           C
+ATOM    461  CG  TYR A  55      -4.975  -5.135  13.256  1.00 97.91           C
+ATOM    462  CD1 TYR A  55      -5.079  -4.842  14.630  1.00 95.93           C
+ATOM    463  CD2 TYR A  55      -6.137  -5.444  12.519  1.00 95.93           C
+ATOM    464  CE1 TYR A  55      -6.342  -4.841  15.270  1.00 94.90           C
+ATOM    465  CE2 TYR A  55      -7.393  -5.446  13.149  1.00 94.78           C
+ATOM    466  CZ  TYR A  55      -7.498  -5.147  14.524  1.00 95.21           C
+ATOM    467  OH  TYR A  55      -8.716  -5.155  15.121  1.00 93.55           O
+ATOM    468  N   MET A  56      -0.514  -3.765  12.377  1.00 98.66           N
+ATOM    469  CA  MET A  56       0.792  -3.978  11.741  1.00 98.67           C
+ATOM    470  C   MET A  56       0.983  -5.462  11.428  1.00 98.72           C
+ATOM    471  O   MET A  56       0.866  -6.308  12.320  1.00 98.53           O
+ATOM    472  CB  MET A  56       1.891  -3.452  12.677  1.00 98.20           C
+ATOM    473  CG  MET A  56       3.300  -3.523  12.058  1.00 94.18           C
+ATOM    474  SD  MET A  56       3.578  -2.497  10.589  1.00 89.03           S
+ATOM    475  CE  MET A  56       3.295  -0.852  11.245  1.00 79.44           C
+ATOM    476  N   TRP A  57       1.310  -5.793  10.187  1.00 98.51           N
+ATOM    477  CA  TRP A  57       1.747  -7.130   9.804  1.00 98.57           C
+ATOM    478  C   TRP A  57       3.228  -7.291  10.128  1.00 98.55           C
+ATOM    479  O   TRP A  57       4.082  -6.687   9.470  1.00 98.01           O
+ATOM    480  CB  TRP A  57       1.466  -7.368   8.321  1.00 98.50           C
+ATOM    481  CG  TRP A  57       1.976  -8.682   7.819  1.00 98.56           C
+ATOM    482  CD1 TRP A  57       3.040  -8.854   7.010  1.00 98.00           C
+ATOM    483  CD2 TRP A  57       1.451 -10.011   8.079  1.00 98.61           C
+ATOM    484  NE1 TRP A  57       3.200 -10.194   6.729  1.00 97.93           N
+ATOM    485  CE2 TRP A  57       2.246 -10.956   7.356  1.00 98.40           C
+ATOM    486  CE3 TRP A  57       0.373 -10.516   8.837  1.00 98.17           C
+ATOM    487  CZ2 TRP A  57       1.972 -12.341   7.375  1.00 98.17           C
+ATOM    488  CZ3 TRP A  57       0.101 -11.901   8.865  1.00 97.76           C
+ATOM    489  CH2 TRP A  57       0.884 -12.813   8.132  1.00 97.71           C
+ATOM    490  N   LYS A  58       3.543  -8.124  11.133  1.00 98.29           N
+ATOM    491  CA  LYS A  58       4.905  -8.348  11.640  1.00 98.13           C
+ATOM    492  C   LYS A  58       5.560  -7.025  12.053  1.00 97.92           C
+ATOM    493  O   LYS A  58       5.024  -6.336  12.921  1.00 96.78           O
+ATOM    494  CB  LYS A  58       5.724  -9.190  10.644  1.00 97.84           C
+ATOM    495  CG  LYS A  58       5.088 -10.541  10.290  1.00 97.48           C
+ATOM    496  CD  LYS A  58       5.938 -11.249   9.228  1.00 96.70           C
+ATOM    497  CE  LYS A  58       5.307 -12.583   8.830  1.00 95.62           C
+ATOM    498  NZ  LYS A  58       6.059 -13.234   7.729  1.00 91.97           N
+ATOM    499  N   LEU A  59       6.711  -6.685  11.458  1.00 98.19           N
+ATOM    500  CA  LEU A  59       7.458  -5.453  11.714  1.00 97.99           C
+ATOM    501  C   LEU A  59       7.795  -4.739  10.389  1.00 98.06           C
+ATOM    502  O   LEU A  59       7.807  -5.398   9.346  1.00 97.41           O
+ATOM    503  CB  LEU A  59       8.741  -5.775  12.507  1.00 97.08           C
+ATOM    504  CG  LEU A  59       8.509  -6.250  13.949  1.00 94.06           C
+ATOM    505  CD1 LEU A  59       9.843  -6.658  14.572  1.00 91.17           C
+ATOM    506  CD2 LEU A  59       7.897  -5.156  14.833  1.00 91.00           C
+ATOM    507  N   PRO A  60       8.109  -3.433  10.415  1.00 97.90           N
+ATOM    508  CA  PRO A  60       8.657  -2.742   9.247  1.00 97.66           C
+ATOM    509  C   PRO A  60       9.957  -3.391   8.754  1.00 97.67           C
+ATOM    510  O   PRO A  60      10.751  -3.914   9.535  1.00 96.92           O
+ATOM    511  CB  PRO A  60       8.868  -1.285   9.672  1.00 97.30           C
+ATOM    512  CG  PRO A  60       7.920  -1.116  10.854  1.00 96.54           C
+ATOM    513  CD  PRO A  60       7.941  -2.496  11.515  1.00 97.58           C
+ATOM    514  N   PHE A  61      10.192  -3.314   7.451  1.00 97.38           N
+ATOM    515  CA  PHE A  61      11.334  -3.920   6.763  1.00 96.91           C
+ATOM    516  C   PHE A  61      12.569  -3.015   6.851  1.00 97.07           C
+ATOM    517  O   PHE A  61      12.980  -2.392   5.870  1.00 95.92           O
+ATOM    518  CB  PHE A  61      10.943  -4.225   5.315  1.00 96.23           C
+ATOM    519  CG  PHE A  61       9.821  -5.226   5.157  1.00 95.87           C
+ATOM    520  CD1 PHE A  61      10.113  -6.594   5.019  1.00 92.44           C
+ATOM    521  CD2 PHE A  61       8.486  -4.791   5.138  1.00 92.81           C
+ATOM    522  CE1 PHE A  61       9.071  -7.519   4.864  1.00 91.02           C
+ATOM    523  CE2 PHE A  61       7.446  -5.717   4.991  1.00 91.05           C
+ATOM    524  CZ  PHE A  61       7.740  -7.079   4.853  1.00 91.82           C
+ATOM    525  N   PHE A  62      13.163  -2.912   8.034  1.00 97.35           N
+ATOM    526  CA  PHE A  62      14.324  -2.060   8.276  1.00 96.95           C
+ATOM    527  C   PHE A  62      15.533  -2.509   7.445  1.00 96.78           C
+ATOM    528  O   PHE A  62      16.003  -3.638   7.571  1.00 95.26           O
+ATOM    529  CB  PHE A  62      14.663  -2.045   9.770  1.00 96.35           C
+ATOM    530  CG  PHE A  62      13.546  -1.526  10.656  1.00 96.01           C
+ATOM    531  CD1 PHE A  62      13.150  -0.180  10.576  1.00 93.70           C
+ATOM    532  CD2 PHE A  62      12.899  -2.391  11.560  1.00 94.09           C
+ATOM    533  CE1 PHE A  62      12.111   0.302  11.386  1.00 92.89           C
+ATOM    534  CE2 PHE A  62      11.859  -1.910  12.372  1.00 92.91           C
+ATOM    535  CZ  PHE A  62      11.463  -0.568  12.291  1.00 93.55           C
+ATOM    536  N   GLY A  63      16.051  -1.608   6.603  1.00 96.43           N
+ATOM    537  CA  GLY A  63      17.219  -1.866   5.758  1.00 95.78           C
+ATOM    538  C   GLY A  63      16.989  -2.839   4.590  1.00 96.05           C
+ATOM    539  O   GLY A  63      17.950  -3.173   3.897  1.00 94.12           O
+ATOM    540  N   GLU A  64      15.753  -3.278   4.351  1.00 94.86           N
+ATOM    541  CA  GLU A  64      15.433  -4.180   3.243  1.00 94.99           C
+ATOM    542  C   GLU A  64      15.700  -3.512   1.884  1.00 95.03           C
+ATOM    543  O   GLU A  64      15.298  -2.377   1.641  1.00 93.98           O
+ATOM    544  CB  GLU A  64      13.976  -4.656   3.357  1.00 94.82           C
+ATOM    545  CG  GLU A  64      13.532  -5.635   2.267  1.00 93.59           C
+ATOM    546  CD  GLU A  64      14.416  -6.882   2.194  1.00 93.88           C
+ATOM    547  OE1 GLU A  64      15.358  -6.882   1.372  1.00 88.39           O
+ATOM    548  OE2 GLU A  64      14.177  -7.848   2.949  1.00 89.97           O
+ATOM    549  N   GLN A  65      16.365  -4.243   1.000  1.00 96.87           N
+ATOM    550  CA  GLN A  65      16.703  -3.799  -0.352  1.00 96.67           C
+ATOM    551  C   GLN A  65      16.036  -4.664  -1.432  1.00 97.14           C
+ATOM    552  O   GLN A  65      15.977  -4.276  -2.599  1.00 96.10           O
+ATOM    553  CB  GLN A  65      18.232  -3.790  -0.531  1.00 95.85           C
+ATOM    554  CG  GLN A  65      18.962  -2.841   0.445  1.00 93.46           C
+ATOM    555  CD  GLN A  65      18.498  -1.387   0.316  1.00 88.68           C
+ATOM    556  OE1 GLN A  65      18.504  -0.797  -0.755  1.00 80.79           O
+ATOM    557  NE2 GLN A  65      18.060  -0.775   1.388  1.00 78.66           N
+ATOM    558  N   ASN A  66      15.517  -5.844  -1.062  1.00 97.28           N
+ATOM    559  CA  ASN A  66      14.904  -6.767  -1.997  1.00 97.32           C
+ATOM    560  C   ASN A  66      13.373  -6.556  -2.053  1.00 97.62           C
+ATOM    561  O   ASN A  66      12.624  -6.921  -1.164  1.00 97.40           O
+ATOM    562  CB  ASN A  66      15.313  -8.200  -1.639  1.00 96.99           C
+ATOM    563  CG  ASN A  66      14.849  -9.198  -2.683  1.00 95.91           C
+ATOM    564  OD1 ASN A  66      14.077  -8.907  -3.579  1.00 92.19           O
+ATOM    565  ND2 ASN A  66      15.325 -10.413  -2.610  1.00 91.22           N
+ATOM    566  N   VAL A  67      12.920  -6.015  -3.190  1.00 97.60           N
+ATOM    567  CA  VAL A  67      11.500  -5.793  -3.491  1.00 97.74           C
+ATOM    568  C   VAL A  67      10.675  -7.082  -3.385  1.00 97.91           C
+ATOM    569  O   VAL A  67       9.512  -7.028  -2.974  1.00 97.77           O
+ATOM    570  CB  VAL A  67      11.374  -5.208  -4.913  1.00 97.31           C
+ATOM    571  CG1 VAL A  67       9.922  -4.960  -5.328  1.00 95.86           C
+ATOM    572  CG2 VAL A  67      12.120  -3.875  -5.050  1.00 96.03           C
+ATOM    573  N   ASP A  68      11.246  -8.240  -3.746  1.00 97.45           N
+ATOM    574  CA  ASP A  68      10.529  -9.514  -3.743  1.00 97.35           C
+ATOM    575  C   ASP A  68      10.185  -9.991  -2.328  1.00 97.51           C
+ATOM    576  O   ASP A  68       9.108 -10.557  -2.128  1.00 97.27           O
+ATOM    577  CB  ASP A  68      11.334 -10.589  -4.501  1.00 96.70           C
+ATOM    578  CG  ASP A  68      11.381 -10.289  -5.997  1.00 95.11           C
+ATOM    579  OD1 ASP A  68      10.321  -9.900  -6.540  1.00 92.12           O
+ATOM    580  OD2 ASP A  68      12.450 -10.398  -6.627  1.00 91.66           O
+ATOM    581  N   ASN A  69      11.016  -9.680  -1.336  1.00 97.47           N
+ATOM    582  CA  ASN A  69      10.727 -10.000   0.064  1.00 97.56           C
+ATOM    583  C   ASN A  69       9.485  -9.239   0.553  1.00 97.80           C
+ATOM    584  O   ASN A  69       8.595  -9.823   1.165  1.00 97.67           O
+ATOM    585  CB  ASN A  69      11.952  -9.670   0.935  1.00 97.39           C
+ATOM    586  CG  ASN A  69      13.134 -10.582   0.712  1.00 95.27           C
+ATOM    587  OD1 ASN A  69      13.061 -11.638   0.084  1.00 90.93           O
+ATOM    588  ND2 ASN A  69      14.274 -10.227   1.243  1.00 90.22           N
+ATOM    589  N   VAL A  70       9.382  -7.949   0.207  1.00 97.69           N
+ATOM    590  CA  VAL A  70       8.221  -7.121   0.571  1.00 97.72           C
+ATOM    591  C   VAL A  70       6.954  -7.613  -0.141  1.00 97.71           C
+ATOM    592  O   VAL A  70       5.905  -7.739   0.490  1.00 97.59           O
+ATOM    593  CB  VAL A  70       8.475  -5.630   0.270  1.00 97.89           C
+ATOM    594  CG1 VAL A  70       7.315  -4.757   0.771  1.00 97.32           C
+ATOM    595  CG2 VAL A  70       9.765  -5.121   0.925  1.00 97.38           C
+ATOM    596  N   LEU A  71       7.044  -7.952  -1.436  1.00 97.60           N
+ATOM    597  CA  LEU A  71       5.911  -8.517  -2.186  1.00 97.26           C
+ATOM    598  C   LEU A  71       5.441  -9.853  -1.607  1.00 97.10           C
+ATOM    599  O   LEU A  71       4.238 -10.049  -1.461  1.00 96.88           O
+ATOM    600  CB  LEU A  71       6.308  -8.708  -3.661  1.00 96.81           C
+ATOM    601  CG  LEU A  71       6.313  -7.409  -4.472  1.00 94.34           C
+ATOM    602  CD1 LEU A  71       6.957  -7.674  -5.836  1.00 92.60           C
+ATOM    603  CD2 LEU A  71       4.898  -6.889  -4.731  1.00 92.92           C
+ATOM    604  N   ALA A  72       6.359 -10.750  -1.255  1.00 97.40           N
+ATOM    605  CA  ALA A  72       6.021 -12.038  -0.660  1.00 97.65           C
+ATOM    606  C   ALA A  72       5.251 -11.855   0.663  1.00 97.83           C
+ATOM    607  O   ALA A  72       4.267 -12.561   0.914  1.00 97.83           O
+ATOM    608  CB  ALA A  72       7.313 -12.838  -0.463  1.00 97.52           C
+ATOM    609  N   GLU A  73       5.631 -10.881   1.476  1.00 97.72           N
+ATOM    610  CA  GLU A  73       4.948 -10.586   2.732  1.00 97.92           C
+ATOM    611  C   GLU A  73       3.589  -9.895   2.546  1.00 97.94           C
+ATOM    612  O   GLU A  73       2.663 -10.161   3.319  1.00 97.90           O
+ATOM    613  CB  GLU A  73       5.876  -9.758   3.621  1.00 98.12           C
+ATOM    614  CG  GLU A  73       7.043 -10.595   4.173  1.00 97.09           C
+ATOM    615  CD  GLU A  73       6.580 -11.685   5.150  1.00 97.60           C
+ATOM    616  OE1 GLU A  73       7.336 -12.631   5.431  1.00 94.38           O
+ATOM    617  OE2 GLU A  73       5.474 -11.574   5.727  1.00 95.24           O
+ATOM    618  N   ILE A  74       3.417  -9.083   1.489  1.00 97.52           N
+ATOM    619  CA  ILE A  74       2.095  -8.553   1.110  1.00 97.26           C
+ATOM    620  C   ILE A  74       1.133  -9.708   0.771  1.00 97.11           C
+ATOM    621  O   ILE A  74       0.003  -9.735   1.260  1.00 96.84           O
+ATOM    622  CB  ILE A  74       2.226  -7.547  -0.061  1.00 97.10           C
+ATOM    623  CG1 ILE A  74       2.876  -6.229   0.424  1.00 96.53           C
+ATOM    624  CG2 ILE A  74       0.867  -7.234  -0.694  1.00 96.20           C
+ATOM    625  CD1 ILE A  74       3.312  -5.286  -0.714  1.00 95.12           C
+ATOM    626  N   GLU A  75       1.580 -10.690  -0.020  1.00 96.99           N
+ATOM    627  CA  GLU A  75       0.771 -11.868  -0.363  1.00 96.83           C
+ATOM    628  C   GLU A  75       0.519 -12.775   0.847  1.00 97.40           C
+ATOM    629  O   GLU A  75      -0.583 -13.311   1.012  1.00 97.45           O
+ATOM    630  CB  GLU A  75       1.440 -12.674  -1.486  1.00 95.99           C
+ATOM    631  CG  GLU A  75       1.486 -11.954  -2.842  1.00 91.17           C
+ATOM    632  CD  GLU A  75       0.100 -11.510  -3.336  1.00 87.67           C
+ATOM    633  OE1 GLU A  75       0.048 -10.477  -4.040  1.00 78.67           O
+ATOM    634  OE2 GLU A  75      -0.927 -12.149  -3.032  1.00 79.90           O
+ATOM    635  N   ALA A  76       1.503 -12.926   1.734  1.00 97.91           N
+ATOM    636  CA  ALA A  76       1.337 -13.675   2.972  1.00 98.38           C
+ATOM    637  C   ALA A  76       0.282 -13.024   3.892  1.00 98.55           C
+ATOM    638  O   ALA A  76      -0.603 -13.715   4.397  1.00 98.55           O
+ATOM    639  CB  ALA A  76       2.697 -13.805   3.661  1.00 98.48           C
+ATOM    640  N   CYS A  77       0.319 -11.696   4.044  1.00 98.13           N
+ATOM    641  CA  CYS A  77      -0.674 -10.939   4.806  1.00 98.24           C
+ATOM    642  C   CYS A  77      -2.083 -11.102   4.205  1.00 98.19           C
+ATOM    643  O   CYS A  77      -3.032 -11.434   4.921  1.00 98.12           O
+ATOM    644  CB  CYS A  77      -0.244  -9.466   4.840  1.00 98.40           C
+ATOM    645  SG  CYS A  77      -1.409  -8.490   5.832  1.00 97.87           S
+ATOM    646  N   ARG A  78      -2.214 -10.955   2.887  1.00 97.95           N
+ATOM    647  CA  ARG A  78      -3.476 -11.174   2.168  1.00 97.61           C
+ATOM    648  C   ARG A  78      -4.012 -12.588   2.352  1.00 97.95           C
+ATOM    649  O   ARG A  78      -5.210 -12.773   2.529  1.00 97.68           O
+ATOM    650  CB  ARG A  78      -3.246 -10.865   0.684  1.00 96.53           C
+ATOM    651  CG  ARG A  78      -4.539 -10.999  -0.119  1.00 92.25           C
+ATOM    652  CD  ARG A  78      -4.224 -10.819  -1.598  1.00 86.32           C
+ATOM    653  NE  ARG A  78      -5.426 -10.972  -2.423  1.00 77.47           N
+ATOM    654  CZ  ARG A  78      -5.438 -11.068  -3.735  1.00 70.77           C
+ATOM    655  NH1 ARG A  78      -4.328 -11.039  -4.436  1.00 64.96           N
+ATOM    656  NH2 ARG A  78      -6.565 -11.186  -4.368  1.00 61.20           N
+ATOM    657  N   SER A  79      -3.136 -13.592   2.303  1.00 97.80           N
+ATOM    658  CA  SER A  79      -3.524 -15.004   2.473  1.00 98.05           C
+ATOM    659  C   SER A  79      -3.984 -15.301   3.903  1.00 98.39           C
+ATOM    660  O   SER A  79      -4.941 -16.042   4.094  1.00 98.19           O
+ATOM    661  CB  SER A  79      -2.359 -15.918   2.096  1.00 98.05           C
+ATOM    662  OG  SER A  79      -1.980 -15.695   0.749  1.00 86.69           O
+ATOM    663  N   ALA A  80      -3.336 -14.697   4.900  1.00 98.21           N
+ATOM    664  CA  ALA A  80      -3.711 -14.841   6.307  1.00 98.32           C
+ATOM    665  C   ALA A  80      -5.025 -14.113   6.648  1.00 98.56           C
+ATOM    666  O   ALA A  80      -5.801 -14.591   7.475  1.00 98.39           O
+ATOM    667  CB  ALA A  80      -2.547 -14.331   7.163  1.00 98.48           C
+ATOM    668  N   TYR A  81      -5.294 -12.983   5.980  1.00 98.35           N
+ATOM    669  CA  TYR A  81      -6.464 -12.128   6.217  1.00 98.25           C
+ATOM    670  C   TYR A  81      -7.213 -11.813   4.905  1.00 98.11           C
+ATOM    671  O   TYR A  81      -7.241 -10.659   4.464  1.00 97.72           O
+ATOM    672  CB  TYR A  81      -6.021 -10.870   6.961  1.00 98.36           C
+ATOM    673  CG  TYR A  81      -5.372 -11.148   8.298  1.00 98.45           C
+ATOM    674  CD1 TYR A  81      -6.165 -11.424   9.430  1.00 97.88           C
+ATOM    675  CD2 TYR A  81      -3.969 -11.139   8.413  1.00 97.95           C
+ATOM    676  CE1 TYR A  81      -5.568 -11.685  10.677  1.00 97.59           C
+ATOM    677  CE2 TYR A  81      -3.362 -11.402   9.664  1.00 97.66           C
+ATOM    678  CZ  TYR A  81      -4.163 -11.666  10.787  1.00 97.73           C
+ATOM    679  OH  TYR A  81      -3.576 -11.910  12.000  1.00 96.95           O
+ATOM    680  N   PRO A  82      -7.860 -12.810   4.258  1.00 97.82           N
+ATOM    681  CA  PRO A  82      -8.388 -12.675   2.894  1.00 97.41           C
+ATOM    682  C   PRO A  82      -9.531 -11.657   2.762  1.00 97.03           C
+ATOM    683  O   PRO A  82      -9.782 -11.169   1.660  1.00 96.03           O
+ATOM    684  CB  PRO A  82      -8.843 -14.091   2.510  1.00 97.28           C
+ATOM    685  CG  PRO A  82      -9.136 -14.755   3.854  1.00 96.25           C
+ATOM    686  CD  PRO A  82      -8.066 -14.156   4.763  1.00 97.73           C
+ATOM    687  N   THR A  83     -10.205 -11.316   3.862  1.00 97.71           N
+ATOM    688  CA  THR A  83     -11.306 -10.344   3.889  1.00 97.79           C
+ATOM    689  C   THR A  83     -10.865  -8.938   4.301  1.00 97.65           C
+ATOM    690  O   THR A  83     -11.672  -8.005   4.261  1.00 97.01           O
+ATOM    691  CB  THR A  83     -12.438 -10.820   4.808  1.00 97.61           C
+ATOM    692  OG1 THR A  83     -11.943 -11.007   6.120  1.00 96.47           O
+ATOM    693  CG2 THR A  83     -13.033 -12.157   4.353  1.00 94.95           C
+ATOM    694  N   HIS A  84      -9.610  -8.747   4.711  1.00 98.01           N
+ATOM    695  CA  HIS A  84      -9.112  -7.464   5.182  1.00 98.04           C
+ATOM    696  C   HIS A  84      -8.664  -6.566   4.019  1.00 97.63           C
+ATOM    697  O   HIS A  84      -8.225  -7.026   2.969  1.00 96.88           O
+ATOM    698  CB  HIS A  84      -7.966  -7.645   6.198  1.00 98.20           C
+ATOM    699  CG  HIS A  84      -8.386  -8.124   7.563  1.00 98.35           C
+ATOM    700  ND1 HIS A  84      -7.788  -7.762   8.757  1.00 95.12           N
+ATOM    701  CD2 HIS A  84      -9.394  -8.995   7.872  1.00 95.60           C
+ATOM    702  CE1 HIS A  84      -8.434  -8.409   9.752  1.00 95.86           C
+ATOM    703  NE2 HIS A  84      -9.415  -9.161   9.259  1.00 96.32           N
+ATOM    704  N   GLN A  85      -8.737  -5.243   4.239  1.00 97.56           N
+ATOM    705  CA  GLN A  85      -7.942  -4.282   3.478  1.00 97.48           C
+ATOM    706  C   GLN A  85      -6.461  -4.504   3.826  1.00 98.09           C
+ATOM    707  O   GLN A  85      -6.148  -4.679   4.998  1.00 97.72           O
+ATOM    708  CB  GLN A  85      -8.333  -2.851   3.864  1.00 95.81           C
+ATOM    709  CG  GLN A  85      -9.787  -2.461   3.584  1.00 86.47           C
+ATOM    710  CD  GLN A  85     -10.103  -2.212   2.114  1.00 85.68           C
+ATOM    711  OE1 GLN A  85      -9.315  -2.394   1.213  1.00 78.83           O
+ATOM    712  NE2 GLN A  85     -11.292  -1.770   1.809  1.00 76.17           N
+ATOM    713  N   VAL A  86      -5.571  -4.446   2.835  1.00 97.33           N
+ATOM    714  CA  VAL A  86      -4.117  -4.501   3.039  1.00 97.49           C
+ATOM    715  C   VAL A  86      -3.495  -3.226   2.461  1.00 97.27           C
+ATOM    716  O   VAL A  86      -3.764  -2.865   1.310  1.00 96.85           O
+ATOM    717  CB  VAL A  86      -3.484  -5.759   2.419  1.00 97.61           C
+ATOM    718  CG1 VAL A  86      -1.972  -5.831   2.712  1.00 97.14           C
+ATOM    719  CG2 VAL A  86      -4.132  -7.044   2.959  1.00 97.15           C
+ATOM    720  N   LYS A  87      -2.682  -2.545   3.257  1.00 97.91           N
+ATOM    721  CA  LYS A  87      -2.055  -1.263   2.942  1.00 98.04           C
+ATOM    722  C   LYS A  87      -0.539  -1.390   3.007  1.00 98.29           C
+ATOM    723  O   LYS A  87      -0.004  -1.920   3.976  1.00 98.10           O
+ATOM    724  CB  LYS A  87      -2.616  -0.210   3.911  1.00 97.56           C
+ATOM    725  CG  LYS A  87      -2.121   1.226   3.649  1.00 95.67           C
+ATOM    726  CD  LYS A  87      -2.821   2.264   4.561  1.00 94.76           C
+ATOM    727  CE  LYS A  87      -2.501   1.963   6.024  1.00 89.25           C
+ATOM    728  NZ  LYS A  87      -2.969   2.978   6.991  1.00 86.14           N
+ATOM    729  N   LEU A  88       0.147  -0.894   1.981  1.00 98.02           N
+ATOM    730  CA  LEU A  88       1.588  -0.673   2.015  1.00 98.15           C
+ATOM    731  C   LEU A  88       1.847   0.735   2.553  1.00 98.12           C
+ATOM    732  O   LEU A  88       1.286   1.704   2.049  1.00 97.86           O
+ATOM    733  CB  LEU A  88       2.168  -0.849   0.602  1.00 97.94           C
+ATOM    734  CG  LEU A  88       3.691  -0.611   0.504  1.00 96.89           C
+ATOM    735  CD1 LEU A  88       4.493  -1.720   1.185  1.00 95.12           C
+ATOM    736  CD2 LEU A  88       4.121  -0.570  -0.957  1.00 95.15           C
+ATOM    737  N   VAL A  89       2.729   0.826   3.538  1.00 98.42           N
+ATOM    738  CA  VAL A  89       3.279   2.080   4.059  1.00 98.46           C
+ATOM    739  C   VAL A  89       4.794   2.084   3.881  1.00 98.50           C
+ATOM    740  O   VAL A  89       5.399   1.033   3.680  1.00 98.42           O
+ATOM    741  CB  VAL A  89       2.860   2.330   5.518  1.00 98.34           C
+ATOM    742  CG1 VAL A  89       1.339   2.405   5.645  1.00 97.51           C
+ATOM    743  CG2 VAL A  89       3.375   1.261   6.493  1.00 97.16           C
+ATOM    744  N   ALA A  90       5.437   3.256   3.943  1.00 98.39           N
+ATOM    745  CA  ALA A  90       6.884   3.352   4.008  1.00 98.47           C
+ATOM    746  C   ALA A  90       7.296   4.515   4.917  1.00 98.42           C
+ATOM    747  O   ALA A  90       6.808   5.630   4.762  1.00 98.12           O
+ATOM    748  CB  ALA A  90       7.462   3.485   2.595  1.00 98.35           C
+ATOM    749  N   TYR A  91       8.176   4.223   5.869  1.00 98.44           N
+ATOM    750  CA  TYR A  91       8.598   5.149   6.909  1.00 98.32           C
+ATOM    751  C   TYR A  91       9.869   5.879   6.491  1.00 98.32           C
+ATOM    752  O   TYR A  91      10.900   5.241   6.251  1.00 98.08           O
+ATOM    753  CB  TYR A  91       8.807   4.386   8.221  1.00 98.19           C
+ATOM    754  CG  TYR A  91       7.557   3.707   8.751  1.00 97.95           C
+ATOM    755  CD1 TYR A  91       6.662   4.413   9.579  1.00 96.85           C
+ATOM    756  CD2 TYR A  91       7.273   2.370   8.405  1.00 97.09           C
+ATOM    757  CE1 TYR A  91       5.497   3.799  10.060  1.00 96.24           C
+ATOM    758  CE2 TYR A  91       6.101   1.749   8.880  1.00 96.29           C
+ATOM    759  CZ  TYR A  91       5.218   2.464   9.708  1.00 96.21           C
+ATOM    760  OH  TYR A  91       4.072   1.873  10.171  1.00 94.65           O
+ATOM    761  N   ASP A  92       9.798   7.210   6.442  1.00 98.16           N
+ATOM    762  CA  ASP A  92      10.963   8.085   6.352  1.00 98.13           C
+ATOM    763  C   ASP A  92      11.488   8.319   7.775  1.00 97.92           C
+ATOM    764  O   ASP A  92      10.876   9.013   8.587  1.00 97.37           O
+ATOM    765  CB  ASP A  92      10.571   9.382   5.641  1.00 97.92           C
+ATOM    766  CG  ASP A  92      11.759  10.329   5.411  1.00 97.61           C
+ATOM    767  OD1 ASP A  92      12.778  10.198   6.132  1.00 96.53           O
+ATOM    768  OD2 ASP A  92      11.642  11.184   4.514  1.00 95.87           O
+ATOM    769  N   ASN A  93      12.627   7.695   8.092  1.00 97.79           N
+ATOM    770  CA  ASN A  93      13.255   7.795   9.406  1.00 97.17           C
+ATOM    771  C   ASN A  93      13.944   9.146   9.655  1.00 97.51           C
+ATOM    772  O   ASN A  93      14.150   9.514  10.811  1.00 96.80           O
+ATOM    773  CB  ASN A  93      14.240   6.621   9.593  1.00 95.57           C
+ATOM    774  CG  ASN A  93      15.453   6.684   8.675  1.00 85.13           C
+ATOM    775  OD1 ASN A  93      15.419   7.213   7.580  1.00 75.62           O
+ATOM    776  ND2 ASN A  93      16.570   6.140   9.090  1.00 78.20           N
+ATOM    777  N   TYR A  94      14.278   9.891   8.588  1.00 96.98           N
+ATOM    778  CA  TYR A  94      14.870  11.215   8.709  1.00 97.00           C
+ATOM    779  C   TYR A  94      13.806  12.268   9.020  1.00 97.30           C
+ATOM    780  O   TYR A  94      13.932  13.015   9.994  1.00 96.71           O
+ATOM    781  CB  TYR A  94      15.641  11.551   7.419  1.00 96.68           C
+ATOM    782  CG  TYR A  94      16.304  12.916   7.466  1.00 92.98           C
+ATOM    783  CD1 TYR A  94      15.672  14.025   6.877  1.00 87.31           C
+ATOM    784  CD2 TYR A  94      17.532  13.077   8.135  1.00 87.87           C
+ATOM    785  CE1 TYR A  94      16.262  15.297   6.955  1.00 86.06           C
+ATOM    786  CE2 TYR A  94      18.123  14.348   8.215  1.00 85.95           C
+ATOM    787  CZ  TYR A  94      17.490  15.457   7.632  1.00 85.15           C
+ATOM    788  OH  TYR A  94      18.065  16.694   7.713  1.00 84.06           O
+ATOM    789  N   ALA A  95      12.718  12.276   8.244  1.00 97.55           N
+ATOM    790  CA  ALA A  95      11.576  13.162   8.475  1.00 97.69           C
+ATOM    791  C   ALA A  95      10.662  12.700   9.632  1.00 97.92           C
+ATOM    792  O   ALA A  95       9.787  13.456  10.047  1.00 97.13           O
+ATOM    793  CB  ALA A  95      10.800  13.294   7.158  1.00 97.22           C
+ATOM    794  N   GLN A  96      10.833  11.464  10.132  1.00 97.76           N
+ATOM    795  CA  GLN A  96      10.000  10.825  11.160  1.00 97.75           C
+ATOM    796  C   GLN A  96       8.506  10.825  10.788  1.00 97.70           C
+ATOM    797  O   GLN A  96       7.638  11.135  11.605  1.00 96.43           O
+ATOM    798  CB  GLN A  96      10.288  11.415  12.555  1.00 97.20           C
+ATOM    799  CG  GLN A  96      11.763  11.294  12.952  1.00 92.26           C
+ATOM    800  CD  GLN A  96      12.002  11.747  14.387  1.00 84.98           C
+ATOM    801  OE1 GLN A  96      11.467  12.731  14.885  1.00 77.55           O
+ATOM    802  NE2 GLN A  96      12.815  11.037  15.134  1.00 75.02           N
+ATOM    803  N   SER A  97       8.213  10.472   9.537  1.00 97.74           N
+ATOM    804  CA  SER A  97       6.858  10.478   8.979  1.00 97.63           C
+ATOM    805  C   SER A  97       6.652   9.331   7.987  1.00 98.03           C
+ATOM    806  O   SER A  97       7.569   8.585   7.658  1.00 97.51           O
+ATOM    807  CB  SER A  97       6.582  11.844   8.327  1.00 96.44           C
+ATOM    808  OG  SER A  97       7.382  12.034   7.187  1.00 92.61           O
+ATOM    809  N   LEU A  98       5.410   9.151   7.497  1.00 97.23           N
+ATOM    810  CA  LEU A  98       5.136   8.279   6.360  1.00 97.03           C
+ATOM    811  C   LEU A  98       5.486   9.013   5.064  1.00 97.13           C
+ATOM    812  O   LEU A  98       4.873  10.018   4.741  1.00 95.87           O
+ATOM    813  CB  LEU A  98       3.672   7.810   6.363  1.00 96.17           C
+ATOM    814  CG  LEU A  98       3.290   6.870   7.524  1.00 94.72           C
+ATOM    815  CD1 LEU A  98       1.805   6.514   7.423  1.00 92.55           C
+ATOM    816  CD2 LEU A  98       4.088   5.560   7.481  1.00 92.59           C
+ATOM    817  N   GLY A  99       6.432   8.467   4.294  1.00 97.63           N
+ATOM    818  CA  GLY A  99       6.734   8.915   2.938  1.00 97.49           C
+ATOM    819  C   GLY A  99       5.768   8.345   1.883  1.00 97.76           C
+ATOM    820  O   GLY A  99       5.575   8.940   0.823  1.00 96.80           O
+ATOM    821  N   LEU A 100       5.127   7.195   2.185  1.00 97.58           N
+ATOM    822  CA  LEU A 100       4.175   6.521   1.301  1.00 97.55           C
+ATOM    823  C   LEU A 100       3.126   5.781   2.123  1.00 97.90           C
+ATOM    824  O   LEU A 100       3.460   5.110   3.094  1.00 97.59           O
+ATOM    825  CB  LEU A 100       4.959   5.551   0.395  1.00 96.58           C
+ATOM    826  CG  LEU A 100       4.126   4.812  -0.663  1.00 94.34           C
+ATOM    827  CD1 LEU A 100       3.609   5.753  -1.749  1.00 89.48           C
+ATOM    828  CD2 LEU A 100       4.985   3.733  -1.318  1.00 89.45           C
+ATOM    829  N   ALA A 101       1.856   5.828   1.681  1.00 97.93           N
+ATOM    830  CA  ALA A 101       0.778   5.000   2.219  1.00 98.09           C
+ATOM    831  C   ALA A 101      -0.309   4.805   1.153  1.00 98.09           C
+ATOM    832  O   ALA A 101      -0.860   5.781   0.655  1.00 97.24           O
+ATOM    833  CB  ALA A 101       0.200   5.667   3.481  1.00 97.63           C
+ATOM    834  N   PHE A 102      -0.631   3.552   0.783  1.00 97.66           N
+ATOM    835  CA  PHE A 102      -1.749   3.253  -0.118  1.00 97.76           C
+ATOM    836  C   PHE A 102      -2.272   1.822   0.043  1.00 97.86           C
+ATOM    837  O   PHE A 102      -1.542   0.906   0.389  1.00 97.64           O
+ATOM    838  CB  PHE A 102      -1.359   3.506  -1.585  1.00 97.41           C
+ATOM    839  CG  PHE A 102      -0.358   2.536  -2.160  1.00 97.38           C
+ATOM    840  CD1 PHE A 102       1.016   2.720  -1.937  1.00 96.27           C
+ATOM    841  CD2 PHE A 102      -0.796   1.438  -2.926  1.00 96.47           C
+ATOM    842  CE1 PHE A 102       1.944   1.813  -2.470  1.00 95.08           C
+ATOM    843  CE2 PHE A 102       0.130   0.534  -3.461  1.00 95.17           C
+ATOM    844  CZ  PHE A 102       1.501   0.717  -3.234  1.00 94.90           C
+ATOM    845  N   VAL A 103      -3.570   1.631  -0.261  1.00 97.24           N
+ATOM    846  CA  VAL A 103      -4.209   0.313  -0.222  1.00 96.86           C
+ATOM    847  C   VAL A 103      -3.779  -0.525  -1.426  1.00 96.57           C
+ATOM    848  O   VAL A 103      -4.012  -0.152  -2.573  1.00 95.74           O
+ATOM    849  CB  VAL A 103      -5.740   0.442  -0.138  1.00 96.30           C
+ATOM    850  CG1 VAL A 103      -6.437  -0.926  -0.184  1.00 94.99           C
+ATOM    851  CG2 VAL A 103      -6.135   1.112   1.182  1.00 95.10           C
+ATOM    852  N   VAL A 104      -3.175  -1.687  -1.152  1.00 96.83           N
+ATOM    853  CA  VAL A 104      -2.737  -2.677  -2.143  1.00 96.41           C
+ATOM    854  C   VAL A 104      -3.881  -3.619  -2.491  1.00 95.93           C
+ATOM    855  O   VAL A 104      -4.192  -3.830  -3.663  1.00 94.49           O
+ATOM    856  CB  VAL A 104      -1.532  -3.477  -1.615  1.00 95.69           C
+ATOM    857  CG1 VAL A 104      -1.027  -4.476  -2.655  1.00 88.47           C
+ATOM    858  CG2 VAL A 104      -0.370  -2.565  -1.245  1.00 87.79           C
+ATOM    859  N   TYR A 105      -4.565  -4.166  -1.474  1.00 95.70           N
+ATOM    860  CA  TYR A 105      -5.716  -5.049  -1.626  1.00 95.50           C
+ATOM    861  C   TYR A 105      -6.930  -4.497  -0.901  1.00 95.81           C
+ATOM    862  O   TYR A 105      -6.856  -4.135   0.271  1.00 95.43           O
+ATOM    863  CB  TYR A 105      -5.371  -6.468  -1.149  1.00 94.68           C
+ATOM    864  CG  TYR A 105      -4.341  -7.144  -2.019  1.00 88.11           C
+ATOM    865  CD1 TYR A 105      -4.607  -7.324  -3.390  1.00 83.10           C
+ATOM    866  CD2 TYR A 105      -3.101  -7.559  -1.489  1.00 83.05           C
+ATOM    867  CE1 TYR A 105      -3.642  -7.897  -4.236  1.00 77.82           C
+ATOM    868  CE2 TYR A 105      -2.130  -8.134  -2.339  1.00 78.34           C
+ATOM    869  CZ  TYR A 105      -2.407  -8.295  -3.711  1.00 77.41           C
+ATOM    870  OH  TYR A 105      -1.481  -8.819  -4.559  1.00 70.75           O
+ATOM    871  N   ARG A 106      -8.056  -4.437  -1.618  1.00 94.64           N
+ATOM    872  CA  ARG A 106      -9.355  -4.096  -1.046  1.00 93.72           C
+ATOM    873  C   ARG A 106     -10.005  -5.384  -0.548  1.00 93.55           C
+ATOM    874  O   ARG A 106     -10.121  -6.330  -1.317  1.00 91.33           O
+ATOM    875  CB  ARG A 106     -10.220  -3.369  -2.084  1.00 92.59           C
+ATOM    876  CG  ARG A 106      -9.556  -2.065  -2.549  1.00 90.01           C
+ATOM    877  CD  ARG A 106     -10.461  -1.296  -3.517  1.00 86.92           C
+ATOM    878  NE  ARG A 106      -9.774  -0.117  -4.065  1.00 82.69           N
+ATOM    879  CZ  ARG A 106     -10.258   0.761  -4.926  1.00 77.27           C
+ATOM    880  NH1 ARG A 106     -11.484   0.691  -5.378  1.00 73.97           N
+ATOM    881  NH2 ARG A 106      -9.516   1.735  -5.358  1.00 70.30           N
+ATOM    882  N   GLY A 107     -10.374  -5.420   0.737  1.00 93.63           N
+ATOM    883  CA  GLY A 107     -11.161  -6.504   1.317  1.00 92.29           C
+ATOM    884  C   GLY A 107     -12.612  -6.484   0.829  1.00 91.51           C
+ATOM    885  O   GLY A 107     -13.033  -5.534   0.153  1.00 86.35           O
+ATOM    886  N   ASN A 108     -13.331  -7.526   1.165  1.00 92.84           N
+ATOM    887  CA  ASN A 108     -14.742  -7.720   0.820  1.00 91.11           C
+ATOM    888  C   ASN A 108     -15.586  -7.882   2.085  1.00 87.05           C
+ATOM    889  O   ASN A 108     -15.058  -8.422   3.081  1.00 75.68           O
+ATOM    890  CB  ASN A 108     -14.888  -8.948  -0.093  1.00 86.06           C
+ATOM    891  CG  ASN A 108     -14.160  -8.869  -1.422  1.00 81.28           C
+ATOM    892  OD1 ASN A 108     -14.004  -7.844  -2.062  1.00 75.43           O
+ATOM    893  ND2 ASN A 108     -13.712  -9.999  -1.924  1.00 76.28           N
+ATOM    894  OXT ASN A 108     -16.776  -7.505   2.030  1.00 70.63           O
+TER
+END

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weight/feature/1acbI_node_feature.tensor

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