技术背景
OpenMM是一款基于Python开发的开源分子动力学模拟软件，这几年因为AlphaFold的缘故，使得这个软件的热度有了不少提升。并且可以使用GPU硬件加速，所以性能上也不赖。这里介绍一下该软件的基本安装和使用方法，并附带一个真空蛋白体系的能量极小化示例。
安装OpenMM
一般这个软件首推是使用conda安装，但是这里我个人比较推荐使用python-pip安装，原因是这样的，我先尝试了一下使用conda安装：
$ conda install -c conda-forge openmm
Collecting package metadata (current_repodata.json): done
Solving environment: done
==> WARNING: A newer version of conda exists. <==
current version: 23.1.0
latest version: 24.9.2
Please update conda by running
$ conda update -n base -c defaults conda
Or to minimize the number of packages updated during conda update use
conda install conda=24.9.2
## Package Plan ##
environment location: /home/dechin/anaconda3/envs/mindspore-master
added / updated specs:
- openmm
The following packages will be downloaded:
package | build
---------------------------|-----------------
ca-certificates-2024.8.30 | hbcca054_0 155 KB conda-forge
cudatoolkit-10.2.89 | h713d32c_10 449.7 MB conda-forge
libblas-3.9.0 | 8_openblas 11 KB conda-forge
libcblas-3.9.0 | 8_openblas 11 KB conda-forge
libgfortran-ng-7.5.0 | h14aa051_20 23 KB conda-forge
libgfortran4-7.5.0 | h14aa051_20 1.2 MB conda-forge
liblapack-3.9.0 | 8_openblas 11 KB conda-forge
libopenblas-0.3.12 |pthreads_hb3c22a3_1 8.2 MB conda-forge
numpy-1.22.3 | py39hc58783e_2 6.8 MB conda-forge
ocl-icd-2.3.2 | h5eee18b_1 136 KB https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
ocl-icd-system-1.0.0 | 1 4 KB conda-forge
openmm-8.0.0 | py39h31b9435_1 10.1 MB conda-forge
python_abi-3.9 | 2_cp39 4 KB conda-forge
------------------------------------------------------------
Total: 476.3 MB
The following NEW packages will be INSTALLED:
cudatoolkit conda-forge/linux-64::cudatoolkit-10.2.89-h713d32c_10
libblas conda-forge/linux-64::libblas-3.9.0-8_openblas
libcblas conda-forge/linux-64::libcblas-3.9.0-8_openblas
libgfortran-ng conda-forge/linux-64::libgfortran-ng-7.5.0-h14aa051_20
libgfortran4 conda-forge/linux-64::libgfortran4-7.5.0-h14aa051_20
liblapack conda-forge/linux-64::liblapack-3.9.0-8_openblas
libopenblas conda-forge/linux-64::libopenblas-0.3.12-pthreads_hb3c22a3_1
numpy conda-forge/linux-64::numpy-1.22.3-py39hc58783e_2
ocl-icd anaconda/pkgs/main/linux-64::ocl-icd-2.3.2-h5eee18b_1
ocl-icd-system conda-forge/linux-64::ocl-icd-system-1.0.0-1
openmm conda-forge/linux-64::openmm-8.0.0-py39h31b9435_1
python_abi conda-forge/linux-64::python_abi-3.9-2_cp39
The following packages will be SUPERSEDED by a higher-priority channel:
ca-certificates anaconda/pkgs/main::ca-certificates-2~ --> conda-forge::ca-certificates-2024.8.30-hbcca054_0
Proceed ([y]/n)? y
Downloading and Extracting Packages
Preparing transaction: done
Verifying transaction: done
Executing transaction: | By downloading and using the CUDA Toolkit conda packages, you accept the terms and conditions of the CUDA End User License Agreement (EULA): https://docs.nvidia.com/cuda/eula/index.html
done
发现这里面的配套版本比较老旧，而且也无法通过官方曾经提供的测试命令：
$ python3 -m simtk.testInstallation
Traceback (most recent call last):
File "/home/dechin/anaconda3/envs/mindspore-master/lib/python3.9/runpy.py", line 188, in _run_module_as_main
mod_name, mod_spec, code = _get_module_details(mod_name, _Error)
File "/home/dechin/anaconda3/envs/mindspore-master/lib/python3.9/runpy.py", line 111, in _get_module_details
__import__(pkg_name)
File "/home/dechin/anaconda3/envs/mindspore-master/lib/python3.9/site-packages/simtk/__init__.py", line 1, in <module>
import openmm
File "/home/dechin/anaconda3/envs/mindspore-master/lib/python3.9/site-packages/openmm/__init__.py", line 24, in <module>
from openmm.openmm import *
File "/home/dechin/anaconda3/envs/mindspore-master/lib/python3.9/site-packages/openmm/openmm.py", line 10, in <module>
from . import _openmm
ImportError: /home/dechin/anaconda3/envs/mindspore-master/lib/python3.9/site-packages/openmm/../../../libstdc++.so.6: version `GLIBCXX_3.4.30' not found (required by /home/dechin/anaconda3/envs/mindspore-master/lib/python3.9/site-packages/openmm/../../../libOpenMM.so.8.0)
经过一番折腾，发现这个动态链接库问题可能不是openmm导致的，而是conda环境导致的，于是切了一个conda环境，使用的python版本是：
$ python3 --version
Python 3.10.5
然后直接使用pip安装：
$ python3 -m pip install openmm
Looking in indexes: https://pypi.tuna.tsinghua.edu.cn/simple
Collecting openmm
Downloading https://pypi.tuna.tsinghua.edu.cn/packages/b1/f2/db21a370b134660df2d88a704fb02ec6f7321751f700f28b4a4c16e310ff/OpenMM-8.2.0-cp310-cp310-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (12.3 MB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 12.3/12.3 MB 5.2 MB/s eta 0:00:00
Requirement already satisfied: numpy in ./anaconda3/envs/jax/lib/python3.10/site-packages (from openmm) (1.26.4)
Installing collected packages: openmm
Successfully installed openmm-8.2.0
安装完成后发现这个测试指令还是不能执行：
$ python3 -m simtk.testInstallation
/home/dechin/anaconda3/envs/jax/bin/python3: No module named simtk.testInstallation
但是查看到软件版本是存在的，应该是安装成功了的：
$ python3 -m pip show openmm
Name: OpenMM
Version: 8.2.0
Summary: Python wrapper for OpenMM (a C++ MD package)
Home-page: https://openmm.org
Author: Peter Eastman
Author-email:
License: Python Software Foundation License (BSD-like)
Location: /home/dechin/anaconda3/envs/jax/lib/python3.10/site-packages
Requires: numpy
Required-by: pdbfixer
并且是最新版的
8.2.0
，于是懒得再去折腾这个testInstall了，直接进入案例测试。
Conda安装pdbfixer
由于我们经常使用pdb格式来存储待模拟的蛋白体系，但是按照openmm的原话翻译文是，”现在很多人使用pdb的格式并未遵守其规范”，因此他们提供了一个叫
pdbfixer
的工具，用于规范化输入的pdb文件格式。安装方法如下：
$ conda install -c conda-forge pdbfixer
Collecting package metadata (current_repodata.json): done
Solving environment: done
==> WARNING: A newer version of conda exists. <==
current version: 23.1.0
latest version: 24.11.0
Please update conda by running
$ conda update -n base -c defaults conda
Or to minimize the number of packages updated during conda update use
conda install conda=24.11.0
## Package Plan ##
environment location: /home/dechin/anaconda3/envs/jax
added / updated specs:
- pdbfixer
The following packages will be downloaded:
package | build
---------------------------|-----------------
libgcc-14.2.0 | h77fa898_1 829 KB conda-forge
libgcc-ng-14.2.0 | h69a702a_1 53 KB conda-forge
libstdcxx-14.2.0 | hc0a3c3a_1 3.7 MB conda-forge
openmm-8.2.0 | py310h114903a_0 11.0 MB conda-forge
openssl-3.4.0 | hb9d3cd8_0 2.8 MB conda-forge
pdbfixer-1.10 | pyhff2d567_0 529 KB conda-forge
------------------------------------------------------------
Total: 18.9 MB
The following NEW packages will be INSTALLED:
libgcc conda-forge/linux-64::libgcc-14.2.0-h77fa898_1
libstdcxx conda-forge/linux-64::libstdcxx-14.2.0-hc0a3c3a_1
pdbfixer conda-forge/noarch::pdbfixer-1.10-pyhff2d567_0
The following packages will be UPDATED:
libgcc-ng anaconda/cloud/conda-forge::libgcc-ng~ --> conda-forge::libgcc-ng-14.2.0-h69a702a_1
openmm anaconda/cloud/conda-forge::openmm-8.~ --> conda-forge::openmm-8.2.0-py310h114903a_0
openssl 3.1.3-hd590300_0 --> 3.4.0-hb9d3cd8_0
Proceed ([y]/n)? y
Downloading and Extracting Packages
Preparing transaction: done
Verifying transaction: done
Executing transaction: done
安装完成后可以在命令行中直接使用：
$ pdbfixer --help
Usage: pdbfixer
pdbfixer filename [options]
When run with no arguments, it launches the user interface. If any arguments are specified, it runs in command line mode.
Options:
-h, --help show this help message and exit
--pdbid=PDBID PDB id to retrieve from RCSB [default: None]
--url=URL URL to retrieve PDB from [default: None]
--output=FILENAME output pdb file [default: output.pdb]
--add-atoms=ATOMS which missing atoms to add: all, heavy, hydrogen, or
none [default: all]
--keep-heterogens=OPTION
which heterogens to keep: all, water, or none
[default: all]
--replace-nonstandard
replace nonstandard residues with standard equivalents
--add-residues add missing residues
--water-box=X Y Z add a water box. The value is the box dimensions in nm
[example: --water-box=2.5 2.4 3.0]
--ph=PH the pH to use for adding missing hydrogens [default:
7.0]
--positive-ion=ION positive ion to include in the water box: Cs+, K+,
Li+, Na+, or Rb+ [default: Na+]
--negative-ion=ION negative ion to include in the water box: Cl-, Br-,
F-, or I- [default: Cl-]
--ionic-strength=STRENGTH
molar concentration of ions to add to the water box
[default: 0.0]
--verbose Print verbose output
例如检查并修复我们本地的一个
input.pdb
文件：
$ pdbfixer input.pdb --output=input_fix.pdb --replace-nonstandard
该命令行会在当前路径下生成一个
input_fix.pdb
文件。除了命令行的使用方法之外，pdbfixer还可以使用python脚本的形式来进行pdb文件修复，有相关需求的童鞋可以参考一下参考链接2中的python脚本，这里不做演示。
能量极小化
参考openmm官方的
cookbook文档
，这里我们用
amber14力场
做一个真空纯蛋白体系的能量极小化：
from openmm.app import *
from openmm import *
from openmm.unit import *
from sys import stdout
pdb = PDBFile('input.pdb')
forcefield = ForceField('amber14-all.xml')
system = forcefield.createSystem(pdb.topology, nonbondedCutoff=1*nanometer, constraints=HBonds)
integrator = LangevinMiddleIntegrator(300*kelvin, 1/picosecond, 0.004*picoseconds)
simulation = Simulation(pdb.topology, system, integrator)
simulation.context.setPositions(pdb.positions)
simulation.minimizeEnergy()
simulation.reporters.append(PDBReporter('output.pdb', 1000))
simulation.reporters.append(StateDataReporter(stdout, 1000, step=True,
potentialEnergy=True, temperature=True))
simulation.step(10000)
这里输入的pdb文件
input.pdb
内容为：
input.pdb
MODEL 1
SEQRES 1 A 157 GLU GLU ALA VAL ARG MET LYS ALA GLN ASP LEU ALA LEU
SEQRES 2 A 157 ALA VAL GLN THR TYR ILE GLU ALA LYS MET LYS LEU GLU
SEQRES 3 A 157 ASN LYS THR MET LEU THR THR PHE ASP LEU ILE GLN ASP
SEQRES 4 A 157 PRO LYS PHE ARG SER LEU GLY ALA GLN ARG TRP GLY ALA
SEQRES 5 A 157 LYS GLU TYR THR TRP VAL GLY ALA GLY ASN LYS VAL ALA
SEQRES 6 A 157 GLY ARG ASP VAL ALA VAL ILE LEU THR HIS PRO ALA PHE
SEQRES 7 A 157 THR GLY GLN TYR GLU LYS TYR LEU GLY VAL ASP VAL ALA
SEQRES 8 A 157 MET LEU ARG TRP ASN GLU THR MET PRO GLU LEU TYR ASN
SEQRES 9 A 157 LEU LEU LEU LYS ILE THR GLU ASN PRO GLU ALA PRO LYS
SEQRES 10 A 157 PRO VAL CYS GLY TYR TYR HIS TRP GLU ILE PRO LYS TYR
SEQRES 11 A 157 LEU CYS HIS TYR PRO THR THR ILE LYS VAL TYR ASP PRO
SEQRES 12 A 157 ILE SER LYS GLY GLN LEU TRP VAL VAL VAL GLY THR SER
SEQRES 13 A 157 ALA
ATOM 1 N GLU A 1 7.586 58.029 49.889 1.0 0.0 N
ATOM 2 CA GLU A 1 8.478 58.210 48.753 1.0 0.0 C
ATOM 3 CB GLU A 1 9.946 58.055 49.176 1.0 0.0 C
ATOM 4 CG GLU A 1 10.499 59.224 49.986 1.0 0.0 C
ATOM 5 CD GLU A 1 11.970 59.061 50.349 1.0 0.0 C
ATOM 6 OE1 GLU A 1 12.464 57.912 50.387 1.0 0.0 O
ATOM 7 OE2 GLU A 1 12.636 60.096 50.595 1.0 0.0 O
ATOM 8 C GLU A 1 8.148 57.226 47.641 1.0 0.0 C
ATOM 9 O GLU A 1 8.170 57.584 46.476 1.0 0.0 O
ATOM 10 H1 GLU A 1 7.803 58.676 50.620 1.0 0.0 H
ATOM 11 H2 GLU A 1 7.553 57.246 50.510 1.0 0.0 H
ATOM 12 H3 GLU A 1 6.606 58.227 49.923 1.0 0.0 H
ATOM 13 HA GLU A 1 8.054 58.975 48.268 1.0 0.0 H
ATOM 14 HB2 GLU A 1 9.724 57.104 49.391 1.0 0.0 H
ATOM 15 HB3 GLU A 1 9.996 57.345 48.473 1.0 0.0 H
ATOM 16 HG2 GLU A 1 10.026 59.848 49.364 1.0 0.0 H
ATOM 17 HG3 GLU A 1 9.556 59.481 50.199 1.0 0.0 H
ATOM 18 N GLU A 2 7.844 55.988 47.996 1.0 0.0 N
ATOM 19 CA GLU A 2 7.430 55.014 47.006 1.0 0.0 C
ATOM 20 CB GLU A 2 7.275 53.630 47.630 1.0 0.0 C
ATOM 21 CG GLU A 2 7.092 52.488 46.632 1.0 0.0 C
ATOM 22 CD GLU A 2 8.391 52.059 45.969 1.0 0.0 C
ATOM 23 OE1 GLU A 2 9.363 52.844 45.996 1.0 0.0 O
ATOM 24 OE2 GLU A 2 8.440 50.930 45.422 1.0 0.0 O
ATOM 25 C GLU A 2 6.112 55.433 46.367 1.0 0.0 C
ATOM 26 O GLU A 2 5.898 55.194 45.188 1.0 0.0 O
ATOM 27 H GLU A 2 8.709 55.713 48.415 1.0 0.0 H
ATOM 28 HA GLU A 2 7.974 55.251 46.201 1.0 0.0 H
ATOM 29 HB2 GLU A 2 8.004 53.908 48.256 1.0 0.0 H
ATOM 30 HB3 GLU A 2 7.083 54.131 48.474 1.0 0.0 H
ATOM 31 HG2 GLU A 2 6.496 52.033 47.294 1.0 0.0 H
ATOM 32 HG3 GLU A 2 6.115 52.702 46.609 1.0 0.0 H
ATOM 33 N ALA A 3 5.226 56.054 47.133 1.0 0.0 N
ATOM 34 CA ALA A 3 3.939 56.496 46.597 1.0 0.0 C
ATOM 35 CB ALA A 3 3.139 57.201 47.662 1.0 0.0 C
ATOM 36 C ALA A 3 4.104 57.417 45.407 1.0 0.0 C
ATOM 37 O ALA A 3 3.401 57.294 44.420 1.0 0.0 O
ATOM 38 H ALA A 3 5.757 55.586 46.426 1.0 0.0 H
ATOM 39 HA ALA A 3 3.632 55.715 46.053 1.0 0.0 H
ATOM 40 HB1 ALA A 3 3.030 56.593 48.448 1.0 0.0 H
ATOM 41 HB2 ALA A 3 2.169 57.437 47.607 1.0 0.0 H
ATOM 42 HB3 ALA A 3 3.446 57.982 48.206 1.0 0.0 H
ATOM 43 N VAL A 4 5.035 58.352 45.515 1.0 0.0 N
ATOM 44 CA VAL A 4 5.348 59.240 44.412 1.0 0.0 C
ATOM 45 CB VAL A 4 6.223 60.424 44.873 1.0 0.0 C
ATOM 46 CG1 VAL A 4 6.991 61.027 43.703 1.0 0.0 C
ATOM 47 CG2 VAL A 4 5.359 61.483 45.541 1.0 0.0 C
ATOM 48 C VAL A 4 6.041 58.466 43.294 1.0 0.0 C
ATOM 49 O VAL A 4 5.644 58.561 42.145 1.0 0.0 O
ATOM 50 H VAL A 4 4.581 58.859 46.248 1.0 0.0 H
ATOM 51 HA VAL A 4 4.482 59.257 43.912 1.0 0.0 H
ATOM 52 HB VAL A 4 6.899 59.827 45.304 1.0 0.0 H
ATOM 53 HG11 VAL A 4 7.558 61.794 44.002 1.0 0.0 H
ATOM 54 HG12 VAL A 4 6.647 61.548 42.922 1.0 0.0 H
ATOM 55 HG13 VAL A 4 7.746 60.638 43.174 1.0 0.0 H
ATOM 56 HG21 VAL A 4 5.926 62.250 45.840 1.0 0.0 H
ATOM 57 HG22 VAL A 4 4.886 61.420 46.420 1.0 0.0 H
ATOM 58 HG23 VAL A 4 4.683 62.080 45.110 1.0 0.0 H
ATOM 59 N ARG A 5 7.060 57.692 43.643 1.0 0.0 N
ATOM 60 CA ARG A 5 7.829 56.956 42.652 1.0 0.0 C
ATOM 61 CB ARG A 5 9.003 56.231 43.314 1.0 0.0 C
ATOM 62 CG ARG A 5 10.166 55.980 42.372 1.0 0.0 C
ATOM 63 CD ARG A 5 11.054 54.816 42.809 1.0 0.0 C
ATOM 64 NE ARG A 5 10.302 53.585 43.107 1.0 0.0 N
ATOM 65 CZ ARG A 5 9.672 52.808 42.212 1.0 0.0 C
ATOM 66 NH1 ARG A 5 9.674 53.092 40.909 1.0 0.0 N
ATOM 67 NH2 ARG A 5 9.018 51.727 42.624 1.0 0.0 N
ATOM 68 C ARG A 5 6.953 55.971 41.869 1.0 0.0 C
ATOM 69 O ARG A 5 7.156 55.768 40.682 1.0 0.0 O
ATOM 70 H ARG A 5 6.293 58.166 43.210 1.0 0.0 H
ATOM 71 HA ARG A 5 7.840 57.604 41.891 1.0 0.0 H
ATOM 72 HB2 ARG A 5 8.895 56.834 44.105 1.0 0.0 H
ATOM 73 HB3 ARG A 5 8.375 55.953 44.041 1.0 0.0 H
ATOM 74 HG2 ARG A 5 9.536 56.094 41.604 1.0 0.0 H
ATOM 75 HG3 ARG A 5 10.024 56.899 42.004 1.0 0.0 H
ATOM 76 HD2 ARG A 5 11.690 55.035 42.069 1.0 0.0 H
ATOM 77 HD3 ARG A 5 11.777 55.468 43.036 1.0 0.0 H
ATOM 78 HE ARG A 5 10.257 53.302 44.065 1.0 0.0 H
ATOM 79 HH11 ARG A 5 10.166 53.905 40.599 1.0 0.0 H
ATOM 80 HH12 ARG A 5 9.205 52.513 40.242 1.0 0.0 H
ATOM 81 HH21 ARG A 5 9.017 51.514 43.601 1.0 0.0 H
ATOM 82 HH22 ARG A 5 8.549 51.148 41.957 1.0 0.0 H
ATOM 83 N MET A 6 5.966 55.384 42.527 1.0 0.0 N
ATOM 84 CA MET A 6 5.039 54.454 41.886 1.0 0.0 C
ATOM 85 CB MET A 6 4.274 53.741 42.990 1.0 0.0 C
ATOM 86 CG MET A 6 3.206 52.760 42.516 1.0 0.0 C
ATOM 87 SD MET A 6 2.791 51.503 43.981 1.0 0.0 S
ATOM 88 CE MET A 6 3.103 52.623 45.575 1.0 0.0 C
ATOM 89 C MET A 6 4.071 55.177 40.993 1.0 0.0 C
ATOM 90 O MET A 6 3.680 54.657 39.958 1.0 0.0 O
ATOM 91 H MET A 6 6.610 54.903 43.121 1.0 0.0 H
ATOM 92 HA MET A 6 5.528 54.026 41.126 1.0 0.0 H
ATOM 93 HB2 MET A 6 5.161 53.657 43.444 1.0 0.0 H
ATOM 94 HB3 MET A 6 4.644 54.462 43.576 1.0 0.0 H
ATOM 95 HG2 MET A 6 2.751 53.540 42.087 1.0 0.0 H
ATOM 96 HG3 MET A 6 3.351 53.145 41.605 1.0 0.0 H
ATOM 97 HE1 MET A 6 2.893 51.986 46.317 1.0 0.0 H
ATOM 98 HE2 MET A 6 2.469 53.346 45.849 1.0 0.0 H
ATOM 99 HE3 MET A 6 4.023 52.869 45.880 1.0 0.0 H
ATOM 100 N LYS A 7 3.669 56.380 41.395 1.0 0.0 N
ATOM 101 CA LYS A 7 2.721 57.186 40.629 1.0 0.0 C
ATOM 102 CB LYS A 7 2.297 58.409 41.428 1.0 0.0 C
ATOM 103 CG LYS A 7 1.146 59.189 40.820 1.0 0.0 C
ATOM 104 CD LYS A 7 -0.184 58.524 41.129 1.0 0.0 C
ATOM 105 CE LYS A 7 -1.269 58.937 40.148 1.0 0.0 C
ATOM 106 NZ LYS A 7 -2.557 58.263 40.464 1.0 0.0 N
ATOM 107 C LYS A 7 3.338 57.645 39.333 1.0 0.0 C
ATOM 108 O LYS A 7 2.744 57.495 38.278 1.0 0.0 O
ATOM 109 H LYS A 7 3.260 56.075 42.255 1.0 0.0 H
ATOM 110 HA LYS A 7 2.102 56.527 40.202 1.0 0.0 H
ATOM 111 HB2 LYS A 7 2.392 57.842 42.246 1.0 0.0 H
ATOM 112 HB3 LYS A 7 3.182 58.331 41.888 1.0 0.0 H
ATOM 113 HG2 LYS A 7 1.508 60.056 41.162 1.0 0.0 H
ATOM 114 HG3 LYS A 7 1.745 59.656 40.169 1.0 0.0 H
ATOM 115 HD2 LYS A 7 0.276 57.645 41.255 1.0 0.0 H
ATOM 116 HD3 LYS A 7 0.121 58.322 42.060 1.0 0.0 H
ATOM 117 HE2 LYS A 7 -1.044 59.907 40.236 1.0 0.0 H
ATOM 118 HE3 LYS A 7 -0.615 59.230 39.451 1.0 0.0 H
ATOM 119 HZ1 LYS A 7 -3.271 58.535 39.819 1.0 0.0 H
ATOM 120 HZ2 LYS A 7 -3.152 58.410 41.254 1.0 0.0 H
ATOM 121 HZ3 LYS A 7 -2.782 57.293 40.376 1.0 0.0 H
ATOM 122 N ALA A 8 4.530 58.227 39.419 1.0 0.0 N
ATOM 123 CA ALA A 8 5.238 58.711 38.236 1.0 0.0 C
ATOM 124 CB ALA A 8 6.531 59.395 38.629 1.0 0.0 C
ATOM 125 C ALA A 8 5.523 57.588 37.263 1.0 0.0 C
ATOM 126 O ALA A 8 5.279 57.727 36.073 1.0 0.0 O
ATOM 127 H ALA A 8 3.676 57.775 39.160 1.0 0.0 H
ATOM 128 HA ALA A 8 4.499 59.088 37.678 1.0 0.0 H
ATOM 129 HB1 ALA A 8 6.343 60.137 39.272 1.0 0.0 H
ATOM 130 HB2 ALA A 8 7.115 59.964 38.050 1.0 0.0 H
ATOM 131 HB3 ALA A 8 7.270 59.018 39.187 1.0 0.0 H
ATOM 132 N GLN A 9 6.017 56.469 37.773 1.0 0.0 N
ATOM 133 CA GLN A 9 6.328 55.335 36.924 1.0 0.0 C
ATOM 134 CB GLN A 9 7.036 54.244 37.711 1.0 0.0 C
ATOM 135 CG GLN A 9 7.329 52.998 36.889 1.0 0.0 C
ATOM 136 CD GLN A 9 8.340 52.091 37.564 1.0 0.0 C
ATOM 137 OE1 GLN A 9 9.451 51.897 37.062 1.0 0.0 O
ATOM 138 NE2 GLN A 9 7.960 51.528 38.710 1.0 0.0 N
ATOM 139 C GLN A 9 5.089 54.755 36.259 1.0 0.0 C
ATOM 140 O GLN A 9 5.124 54.405 35.085 1.0 0.0 O
ATOM 141 H GLN A 9 6.832 56.850 38.210 1.0 0.0 H
ATOM 142 HA GLN A 9 6.657 55.776 36.089 1.0 0.0 H
ATOM 143 HB2 GLN A 9 7.628 54.949 38.102 1.0 0.0 H
ATOM 144 HB3 GLN A 9 6.741 54.707 38.547 1.0 0.0 H
ATOM 145 HG2 GLN A 9 6.351 52.872 36.723 1.0 0.0 H
ATOM 146 HG3 GLN A 9 6.963 53.444 36.072 1.0 0.0 H
ATOM 147 HE21 GLN A 9 7.060 51.685 39.117 1.0 0.0 H
ATOM 148 HE22 GLN A 9 8.601 50.923 39.183 1.0 0.0 H
ATOM 149 N ASP A 10 4.005 54.638 37.012 1.0 0.0 N
ATOM 150 CA ASP A 10 2.755 54.124 36.471 1.0 0.0 C
ATOM 151 CB ASP A 10 1.709 53.960 37.575 1.0 0.0 C
ATOM 152 CG ASP A 10 1.974 52.760 38.455 1.0 0.0 C
ATOM 153 OD1 ASP A 10 2.713 51.855 37.996 1.0 0.0 O
ATOM 154 OD2 ASP A 10 1.440 52.720 39.593 1.0 0.0 O
ATOM 155 C ASP A 10 2.194 55.033 35.394 1.0 0.0 C
ATOM 156 O ASP A 10 1.581 54.563 34.435 1.0 0.0 O
ATOM 157 H ASP A 10 4.689 54.745 36.290 1.0 0.0 H
ATOM 158 HA ASP A 10 3.051 53.415 35.831 1.0 0.0 H
ATOM 159 HB2 ASP A 10 1.764 54.940 37.766 1.0 0.0 H
ATOM 160 HB3 ASP A 10 1.086 54.551 37.063 1.0 0.0 H
ATOM 161 N LEU A 11 2.371 56.336 35.570 1.0 0.0 N
ATOM 162 CA LEU A 11 1.869 57.285 34.602 1.0 0.0 C
ATOM 163 CB LEU A 11 1.876 58.697 35.162 1.0 0.0 C
ATOM 164 CG LEU A 11 1.018 59.696 34.395 1.0 0.0 C
ATOM 165 CD1 LEU A 11 -0.437 59.222 34.354 1.0 0.0 C
ATOM 166 CD2 LEU A 11 1.085 61.076 35.024 1.0 0.0 C
ATOM 167 C LEU A 11 2.721 57.218 33.363 1.0 0.0 C
ATOM 168 O LEU A 11 2.204 57.070 32.261 1.0 0.0 O
ATOM 169 H LEU A 11 1.805 56.381 36.393 1.0 0.0 H
ATOM 170 HA LEU A 11 1.105 56.805 34.171 1.0 0.0 H
ATOM 171 HB2 LEU A 11 1.816 58.269 36.064 1.0 0.0 H
ATOM 172 HB3 LEU A 11 2.695 58.406 35.657 1.0 0.0 H
ATOM 173 HG LEU A 11 1.385 59.381 33.520 1.0 0.0 H
ATOM 174 HD11 LEU A 11 -1.000 59.878 33.851 1.0 0.0 H
ATOM 175 HD12 LEU A 11 -1.090 59.169 35.109 1.0 0.0 H
ATOM 176 HD13 LEU A 11 -0.818 58.442 33.858 1.0 0.0 H
ATOM 177 HD21 LEU A 11 2.035 61.386 35.051 1.0 0.0 H
ATOM 178 HD22 LEU A 11 0.911 61.306 35.982 1.0 0.0 H
ATOM 179 HD23 LEU A 11 0.746 61.930 34.630 1.0 0.0 H
ATOM 180 N ALA A 12 4.034 57.301 33.542 1.0 0.0 N
ATOM 181 CA ALA A 12 4.951 57.206 32.423 1.0 0.0 C
ATOM 182 CB ALA A 12 6.375 57.007 32.913 1.0 0.0 C
ATOM 183 C ALA A 12 4.529 56.085 31.474 1.0 0.0 C
ATOM 184 O ALA A 12 4.477 56.282 30.273 1.0 0.0 O
ATOM 185 H ALA A 12 3.097 57.432 33.219 1.0 0.0 H
ATOM 186 HA ALA A 12 4.584 57.902 31.806 1.0 0.0 H
ATOM 187 HB1 ALA A 12 6.651 57.741 33.534 1.0 0.0 H
ATOM 188 HB2 ALA A 12 7.235 57.076 32.407 1.0 0.0 H
ATOM 189 HB3 ALA A 12 6.742 56.311 33.530 1.0 0.0 H
ATOM 190 N LEU A 13 4.210 54.918 32.018 1.0 0.0 N
ATOM 191 CA LEU A 13 3.766 53.800 31.203 1.0 0.0 C
ATOM 192 CB LEU A 13 3.584 52.545 32.051 1.0 0.0 C
ATOM 193 CG LEU A 13 2.671 51.436 31.513 1.0 0.0 C
ATOM 194 CD1 LEU A 13 3.252 50.790 30.268 1.0 0.0 C
ATOM 195 CD2 LEU A 13 2.417 50.393 32.599 1.0 0.0 C
ATOM 196 C LEU A 13 2.472 54.134 30.481 1.0 0.0 C
ATOM 197 O LEU A 13 2.344 53.846 29.293 1.0 0.0 O
ATOM 198 H LEU A 13 5.062 54.698 32.493 1.0 0.0 H
ATOM 199 HA LEU A 13 4.317 53.905 30.375 1.0 0.0 H
ATOM 200 HB2 LEU A 13 4.557 52.700 32.222 1.0 0.0 H
ATOM 201 HB3 LEU A 13 3.990 53.163 32.724 1.0 0.0 H
ATOM 202 HG LEU A 13 2.019 52.088 31.126 1.0 0.0 H
ATOM 203 HD11 LEU A 13 2.657 50.067 29.917 1.0 0.0 H
ATOM 204 HD12 LEU A 13 4.056 50.204 30.168 1.0 0.0 H
ATOM 205 HD13 LEU A 13 3.370 51.166 29.349 1.0 0.0 H
ATOM 206 HD21 LEU A 13 2.034 50.819 33.419 1.0 0.0 H
ATOM 207 HD22 LEU A 13 3.079 49.872 33.138 1.0 0.0 H
ATOM 208 HD23 LEU A 13 1.736 49.661 32.621 1.0 0.0 H
ATOM 209 N ALA A 14 1.513 54.737 31.181 1.0 0.0 N
ATOM 210 CA ALA A 14 0.218 55.089 30.572 1.0 0.0 C
ATOM 211 CB ALA A 14 -0.738 55.637 31.615 1.0 0.0 C
ATOM 212 C ALA A 14 0.364 56.096 29.429 1.0 0.0 C
ATOM 213 O ALA A 14 -0.228 55.935 28.366 1.0 0.0 O
ATOM 214 H ALA A 14 2.143 54.376 30.494 1.0 0.0 H
ATOM 215 HA ALA A 14 0.057 54.315 29.959 1.0 0.0 H
ATOM 216 HB1 ALA A 14 -0.833 54.979 32.362 1.0 0.0 H
ATOM 217 HB2 ALA A 14 -1.724 55.767 31.515 1.0 0.0 H
ATOM 218 HB3 ALA A 14 -0.577 56.411 32.228 1.0 0.0 H
ATOM 219 N VAL A 15 1.153 57.134 29.666 1.0 0.0 N
ATOM 220 CA VAL A 15 1.454 58.110 28.638 1.0 0.0 C
ATOM 221 CB VAL A 15 2.366 59.226 29.181 1.0 0.0 C
ATOM 222 CG1 VAL A 15 2.947 60.068 28.055 1.0 0.0 C
ATOM 223 CG2 VAL A 15 1.596 60.102 30.149 1.0 0.0 C
ATOM 224 C VAL A 15 2.112 57.416 27.442 1.0 0.0 C
ATOM 225 O VAL A 15 1.741 57.660 26.299 1.0 0.0 O
ATOM 226 H VAL A 15 0.723 57.587 30.447 1.0 0.0 H
ATOM 227 HA VAL A 15 0.581 58.195 28.158 1.0 0.0 H
ATOM 228 HB VAL A 15 3.110 58.593 29.394 1.0 0.0 H
ATOM 229 HG11 VAL A 15 3.539 60.793 28.408 1.0 0.0 H
ATOM 230 HG12 VAL A 15 2.493 60.711 27.439 1.0 0.0 H
ATOM 231 HG13 VAL A 15 3.624 59.825 27.360 1.0 0.0 H
ATOM 232 HG21 VAL A 15 2.188 60.827 30.502 1.0 0.0 H
ATOM 233 HG22 VAL A 15 1.261 59.855 31.058 1.0 0.0 H
ATOM 234 HG23 VAL A 15 0.852 60.735 29.936 1.0 0.0 H
ATOM 235 N GLN A 16 3.082 56.548 27.703 1.0 0.0 N
ATOM 236 CA GLN A 16 3.790 55.873 26.625 1.0 0.0 C
ATOM 237 CB GLN A 16 4.928 55.007 27.170 1.0 0.0 C
ATOM 238 CG GLN A 16 5.696 54.232 26.109 1.0 0.0 C
ATOM 239 CD GLN A 16 7.192 54.159 26.396 1.0 0.0 C
ATOM 240 OE1 GLN A 16 7.615 53.961 27.540 1.0 0.0 O
ATOM 241 NE2 GLN A 16 7.995 54.268 25.352 1.0 0.0 N
ATOM 242 C GLN A 16 2.811 55.038 25.825 1.0 0.0 C
ATOM 243 O GLN A 16 2.777 55.131 24.590 1.0 0.0 O
ATOM 244 H GLN A 16 3.728 57.099 28.231 1.0 0.0 H
ATOM 245 HA GLN A 16 3.818 56.577 25.915 1.0 0.0 H
ATOM 246 HB2 GLN A 16 5.154 55.777 27.766 1.0 0.0 H
ATOM 247 HB3 GLN A 16 4.484 55.110 28.060 1.0 0.0 H
ATOM 248 HG2 GLN A 16 4.981 53.533 26.123 1.0 0.0 H
ATOM 249 HG3 GLN A 16 4.920 54.350 25.489 1.0 0.0 H
ATOM 250 HE21 GLN A 16 7.653 54.428 24.426 1.0 0.0 H
ATOM 251 HE22 GLN A 16 8.982 54.187 25.493 1.0 0.0 H
ATOM 252 N THR A 17 1.994 54.251 26.515 1.0 0.0 N
ATOM 253 CA THR A 17 0.978 53.462 25.841 1.0 0.0 C
ATOM 254 CB THR A 17 0.105 52.686 26.828 1.0 0.0 C
ATOM 255 OG1 THR A 17 0.920 51.769 27.555 1.0 0.0 O
ATOM 256 CG2 THR A 17 -0.988 51.911 26.087 1.0 0.0 C
ATOM 257 C THR A 17 0.082 54.352 24.985 1.0 0.0 C
ATOM 258 O THR A 17 -0.185 54.026 23.832 1.0 0.0 O
ATOM 259 H THR A 17 2.581 53.668 27.076 1.0 0.0 H
ATOM 260 HA THR A 17 1.473 53.073 25.064 1.0 0.0 H
ATOM 261 HB THR A 17 -0.024 53.300 27.607 1.0 0.0 H
ATOM 262 HG1 THR A 17 0.349 51.262 28.200 1.0 0.0 H
ATOM 263 HG21 THR A 17 -1.559 51.404 26.732 1.0 0.0 H
ATOM 264 HG22 THR A 17 -0.893 51.116 25.487 1.0 0.0 H
ATOM 265 HG23 THR A 17 -1.787 52.267 25.602 1.0 0.0 H
ATOM 266 N TYR A 18 -0.343 55.489 25.531 1.0 0.0 N
ATOM 267 CA TYR A 18 -1.257 56.387 24.822 1.0 0.0 C
ATOM 268 CB TYR A 18 -1.786 57.499 25.729 1.0 0.0 C
ATOM 269 CG TYR A 18 -2.642 58.489 24.972 1.0 0.0 C
ATOM 270 CD1 TYR A 18 -3.974 58.202 24.679 1.0 0.0 C
ATOM 271 CE1 TYR A 18 -4.760 59.081 23.954 1.0 0.0 C
ATOM 272 CZ TYR A 18 -4.208 60.267 23.507 1.0 0.0 C
ATOM 273 OH TYR A 18 -4.990 61.144 22.779 1.0 0.0 O
ATOM 274 CE2 TYR A 18 -2.885 60.572 23.784 1.0 0.0 C
ATOM 275 CD2 TYR A 18 -2.108 59.682 24.504 1.0 0.0 C
ATOM 276 C TYR A 18 -0.640 57.024 23.574 1.0 0.0 C
ATOM 277 O TYR A 18 -1.288 57.088 22.535 1.0 0.0 O
ATOM 278 H TYR A 18 -0.746 55.073 26.346 1.0 0.0 H
ATOM 279 HA TYR A 18 -1.817 55.732 24.315 1.0 0.0 H
ATOM 280 HB2 TYR A 18 -2.039 56.826 26.424 1.0 0.0 H
ATOM 281 HB3 TYR A 18 -1.080 57.300 26.408 1.0 0.0 H
ATOM 282 HD1 TYR A 18 -4.371 57.342 25.000 1.0 0.0 H
ATOM 283 HE1 TYR A 18 -5.715 58.861 23.756 1.0 0.0 H
ATOM 284 HH TYR A 18 -5.945 60.924 22.579 1.0 0.0 H
ATOM 285 HE2 TYR A 18 -2.492 61.434 23.464 1.0 0.0 H
ATOM 286 HD2 TYR A 18 -1.150 59.901 24.690 1.0 0.0 H
ATOM 287 N ILE A 19 0.585 57.521 23.685 1.0 0.0 N
ATOM 288 CA ILE A 19 1.238 58.158 22.556 1.0 0.0 C
ATOM 289 CB ILE A 19 2.526 58.870 22.981 1.0 0.0 C
ATOM 290 CG1 ILE A 19 2.167 60.102 23.801 1.0 0.0 C
ATOM 291 CD1 ILE A 19 3.357 60.944 24.199 1.0 0.0 C
ATOM 292 CG2 ILE A 19 3.350 59.269 21.762 1.0 0.0 C
ATOM 293 C ILE A 19 1.556 57.161 21.466 1.0 0.0 C
ATOM 294 O ILE A 19 1.478 57.500 20.281 1.0 0.0 O
ATOM 295 H ILE A 19 0.375 58.181 24.406 1.0 0.0 H
ATOM 296 HA ILE A 19 0.469 58.561 22.060 1.0 0.0 H
ATOM 297 HB ILE A 19 2.964 58.039 23.325 1.0 0.0 H
ATOM 298 HG12 ILE A 19 1.406 60.253 23.170 1.0 0.0 H
ATOM 299 HG13 ILE A 19 1.288 59.662 23.985 1.0 0.0 H
ATOM 300 HD11 ILE A 19 3.121 61.753 24.737 1.0 0.0 H
ATOM 301 HD12 ILE A 19 3.987 61.521 23.680 1.0 0.0 H
ATOM 302 HD13 ILE A 19 4.118 60.793 24.830 1.0 0.0 H
ATOM 303 HG21 ILE A 19 4.191 59.734 22.039 1.0 0.0 H
ATOM 304 HG22 ILE A 19 3.149 59.964 21.072 1.0 0.0 H
ATOM 305 HG23 ILE A 19 3.843 58.681 21.121 1.0 0.0 H
ATOM 306 N GLU A 20 1.949 55.952 21.856 1.0 0.0 N
ATOM 307 CA GLU A 20 2.188 54.886 20.890 1.0 0.0 C
ATOM 308 CB GLU A 20 2.727 53.633 21.576 1.0 0.0 C
ATOM 309 CG GLU A 20 4.211 53.684 21.911 1.0 0.0 C
ATOM 310 CD GLU A 20 4.693 52.439 22.656 1.0 0.0 C
ATOM 311 OE1 GLU A 20 4.069 51.352 22.514 1.0 0.0 O
ATOM 312 OE2 GLU A 20 5.710 52.543 23.383 1.0 0.0 O
ATOM 313 C GLU A 20 0.915 54.546 20.095 1.0 0.0 C
ATOM 314 O GLU A 20 0.986 54.292 18.893 1.0 0.0 O
ATOM 315 H GLU A 20 2.776 56.173 22.373 1.0 0.0 H
ATOM 316 HA GLU A 20 2.594 55.389 20.127 1.0 0.0 H
ATOM 317 HB2 GLU A 20 1.891 53.642 22.124 1.0 0.0 H
ATOM 318 HB3 GLU A 20 1.896 53.184 21.247 1.0 0.0 H
ATOM 319 HG2 GLU A 20 4.393 54.019 20.986 1.0 0.0 H
ATOM 320 HG3 GLU A 20 4.191 54.672 21.761 1.0 0.0 H
ATOM 321 N ALA A 21 -0.232 54.559 20.770 1.0 0.0 N
ATOM 322 CA ALA A 21 -1.533 54.395 20.126 1.0 0.0 C
ATOM 323 CB ALA A 21 -2.626 54.305 21.157 1.0 0.0 C
ATOM 324 C ALA A 21 -1.833 55.550 19.177 1.0 0.0 C
ATOM 325 O ALA A 21 -2.142 55.333 18.019 1.0 0.0 O
ATOM 326 H ALA A 21 0.494 54.619 20.085 1.0 0.0 H
ATOM 327 HA ALA A 21 -1.360 53.733 19.397 1.0 0.0 H
ATOM 328 HB1 ALA A 21 -2.429 53.547 21.779 1.0 0.0 H
ATOM 329 HB2 ALA A 21 -3.571 54.027 20.986 1.0 0.0 H
ATOM 330 HB3 ALA A 21 -2.799 54.967 21.886 1.0 0.0 H
ATOM 331 N LYS A 22 -1.695 56.778 19.662 1.0 0.0 N
ATOM 332 CA LYS A 22 -1.965 57.974 18.861 1.0 0.0 C
ATOM 333 CB LYS A 22 -1.645 59.215 19.684 1.0 0.0 C
ATOM 334 CG LYS A 22 -1.945 60.548 19.024 1.0 0.0 C
ATOM 335 CD LYS A 22 -1.373 61.661 19.877 1.0 0.0 C
ATOM 336 CE LYS A 22 -1.428 63.009 19.194 1.0 0.0 C
ATOM 337 NZ LYS A 22 -2.808 63.551 19.107 1.0 0.0 N
ATOM 338 C LYS A 22 -1.166 58.013 17.551 1.0 0.0 C
ATOM 339 O LYS A 22 -1.713 58.321 16.502 1.0 0.0 O
ATOM 340 H LYS A 22 -2.216 56.753 20.515 1.0 0.0 H
ATOM 341 HA LYS A 22 -2.833 57.766 18.409 1.0 0.0 H
ATOM 342 HB2 LYS A 22 -2.023 58.693 20.448 1.0 0.0 H
ATOM 343 HB3 LYS A 22 -1.104 58.573 20.227 1.0 0.0 H
ATOM 344 HG2 LYS A 22 -1.612 60.270 18.123 1.0 0.0 H
ATOM 345 HG3 LYS A 22 -2.716 60.234 18.470 1.0 0.0 H
ATOM 346 HD2 LYS A 22 -1.870 61.301 20.666 1.0 0.0 H
ATOM 347 HD3 LYS A 22 -0.901 60.977 20.433 1.0 0.0 H
ATOM 348 HE2 LYS A 22 -0.643 63.318 19.731 1.0 0.0 H
ATOM 349 HE3 LYS A 22 -0.536 62.840 18.775 1.0 0.0 H
ATOM 350 HZ1 LYS A 22 -2.844 64.442 18.655 1.0 0.0 H
ATOM 351 HZ2 LYS A 22 -3.420 63.884 19.825 1.0 0.0 H
ATOM 352 HZ3 LYS A 22 -3.593 63.242 18.570 1.0 0.0 H
ATOM 353 N MET A 23 0.128 57.718 17.621 1.0 0.0 N
ATOM 354 CA MET A 23 0.987 57.750 16.440 1.0 0.0 C
ATOM 355 CB MET A 23 2.402 57.337 16.823 1.0 0.0 C
ATOM 356 CG MET A 23 3.129 58.530 17.419 1.0 0.0 C
ATOM 357 SD MET A 23 4.965 58.077 17.896 1.0 0.0 S
ATOM 358 CE MET A 23 5.005 56.098 17.898 1.0 0.0 C
ATOM 359 C MET A 23 0.473 56.825 15.380 1.0 0.0 C
ATOM 360 O MET A 23 0.336 57.216 14.220 1.0 0.0 O
ATOM 361 H MET A 23 0.471 58.336 18.329 1.0 0.0 H
ATOM 362 HA MET A 23 0.724 58.580 15.948 1.0 0.0 H
ATOM 363 HB2 MET A 23 2.109 56.516 17.313 1.0 0.0 H
ATOM 364 HB3 MET A 23 2.447 56.542 16.218 1.0 0.0 H
ATOM 365 HG2 MET A 23 2.635 59.049 16.721 1.0 0.0 H
ATOM 366 HG3 MET A 23 2.213 58.932 17.401 1.0 0.0 H
ATOM 367 HE1 MET A 23 5.946 55.866 18.143 1.0 0.0 H
ATOM 368 HE2 MET A 23 4.995 55.481 17.111 1.0 0.0 H
ATOM 369 HE3 MET A 23 4.613 55.474 18.575 1.0 0.0 H
ATOM 370 N LYS A 24 0.208 55.579 15.759 1.0 0.0 N
ATOM 371 CA LYS A 24 -0.255 54.563 14.812 1.0 0.0 C
ATOM 372 CB LYS A 24 -0.035 53.153 15.382 1.0 0.0 C
ATOM 373 CG LYS A 24 1.297 52.514 14.964 1.0 0.0 C
ATOM 374 CD LYS A 24 2.191 52.139 16.144 1.0 0.0 C
ATOM 375 CE LYS A 24 3.058 53.321 16.584 1.0 0.0 C
ATOM 376 NZ LYS A 24 3.770 53.102 17.880 1.0 0.0 N
ATOM 377 C LYS A 24 -1.712 54.783 14.417 1.0 0.0 C
ATOM 378 O LYS A 24 -2.072 54.643 13.248 1.0 0.0 O
ATOM 379 H LYS A 24 1.163 55.435 16.018 1.0 0.0 H
ATOM 380 HA LYS A 24 0.056 54.964 13.950 1.0 0.0 H
ATOM 381 HB2 LYS A 24 -0.389 53.498 16.251 1.0 0.0 H
ATOM 382 HB3 LYS A 24 -1.018 53.138 15.566 1.0 0.0 H
ATOM 383 HG2 LYS A 24 0.788 51.969 14.298 1.0 0.0 H
ATOM 384 HG3 LYS A 24 1.138 52.887 14.050 1.0 0.0 H
ATOM 385 HD2 LYS A 24 1.424 51.700 16.611 1.0 0.0 H
ATOM 386 HD3 LYS A 24 2.081 51.164 15.952 1.0 0.0 H
ATOM 387 HE2 LYS A 24 3.382 53.395 15.641 1.0 0.0 H
ATOM 388 HE3 LYS A 24 2.534 53.890 15.950 1.0 0.0 H
ATOM 389 HZ1 LYS A 24 4.336 53.874 18.167 1.0 0.0 H
ATOM 390 HZ2 LYS A 24 4.519 52.494 18.143 1.0 0.0 H
ATOM 391 HZ3 LYS A 24 3.446 53.028 18.823 1.0 0.0 H
ATOM 392 N LEU A 25 -2.530 55.182 15.377 1.0 0.0 N
ATOM 393 CA LEU A 25 -3.944 55.482 15.130 1.0 0.0 C
ATOM 394 CB LEU A 25 -4.660 55.654 16.477 1.0 0.0 C
ATOM 395 CG LEU A 25 -6.131 55.282 16.678 1.0 0.0 C
ATOM 396 CD1 LEU A 25 -6.532 54.036 15.901 1.0 0.0 C
ATOM 397 CD2 LEU A 25 -6.393 55.087 18.166 1.0 0.0 C
ATOM 398 C LEU A 25 -4.166 56.729 14.240 1.0 0.0 C
ATOM 399 O LEU A 25 -5.250 56.904 13.694 1.0 0.0 O
ATOM 400 H LEU A 25 -2.387 54.376 15.952 1.0 0.0 H
ATOM 401 HA LEU A 25 -4.168 54.856 14.384 1.0 0.0 H
ATOM 402 HB2 LEU A 25 -3.725 55.394 16.718 1.0 0.0 H
ATOM 403 HB3 LEU A 25 -3.797 56.155 16.532 1.0 0.0 H
ATOM 404 HG LEU A 25 -6.481 56.029 16.113 1.0 0.0 H
ATOM 405 HD11 LEU A 25 -7.493 53.793 16.032 1.0 0.0 H
ATOM 406 HD12 LEU A 25 -6.282 53.075 16.019 1.0 0.0 H
ATOM 407 HD13 LEU A 25 -6.634 53.873 14.920 1.0 0.0 H
ATOM 408 HD21 LEU A 25 -6.130 55.906 18.676 1.0 0.0 H
ATOM 409 HD22 LEU A 25 -5.917 54.481 18.803 1.0 0.0 H
ATOM 410 HD23 LEU A 25 -7.274 55.022 18.635 1.0 0.0 H
ATOM 411 N GLU A 26 -3.145 57.580 14.098 1.0 0.0 N
ATOM 412 CA GLU A 26 -3.190 58.749 13.202 1.0 0.0 C
ATOM 413 CB GLU A 26 -2.920 60.032 13.993 1.0 0.0 C
ATOM 414 CG GLU A 26 -4.085 60.458 14.861 1.0 0.0 C
ATOM 415 CD GLU A 26 -3.745 61.606 15.796 1.0 0.0 C
ATOM 416 OE1 GLU A 26 -2.695 62.271 15.593 1.0 0.0 O
ATOM 417 OE2 GLU A 26 -4.539 61.835 16.738 1.0 0.0 O
ATOM 418 C GLU A 26 -2.203 58.669 12.026 1.0 0.0 C
ATOM 419 O GLU A 26 -2.109 59.609 11.233 1.0 0.0 O
ATOM 420 H GLU A 26 -3.787 57.632 14.863 1.0 0.0 H
ATOM 421 HA GLU A 26 -3.995 58.560 12.640 1.0 0.0 H
ATOM 422 HB2 GLU A 26 -2.013 59.676 14.216 1.0 0.0 H
ATOM 423 HB3 GLU A 26 -2.170 60.228 13.361 1.0 0.0 H
ATOM 424 HG2 GLU A 26 -4.678 60.403 14.057 1.0 0.0 H
ATOM 425 HG3 GLU A 26 -4.521 59.581 14.660 1.0 0.0 H
ATOM 426 N ASN A 27 -1.455 57.575 11.930 1.0 0.0 N
ATOM 427 CA ASN A 27 -0.540 57.362 10.827 1.0 0.0 C
ATOM 428 CB ASN A 27 -1.321 57.305 9.507 1.0 0.0 C
ATOM 429 CG ASN A 27 -1.079 56.017 8.749 1.0 0.0 C
ATOM 430 OD1 ASN A 27 -0.319 55.987 7.783 1.0 0.0 O
ATOM 431 ND2 ASN A 27 -1.708 54.935 9.202 1.0 0.0 N
ATOM 432 C ASN A 27 0.590 58.401 10.772 1.0 0.0 C
ATOM 433 O ASN A 27 1.061 58.769 9.688 1.0 0.0 O
ATOM 434 H ASN A 27 -0.946 57.612 12.790 1.0 0.0 H
ATOM 435 HA ASN A 27 0.078 56.694 11.241 1.0 0.0 H
ATOM 436 HB2 ASN A 27 -2.137 57.644 9.974 1.0 0.0 H
ATOM 437 HB3 ASN A 27 -1.435 58.298 9.530 1.0 0.0 H
ATOM 438 HD21 ASN A 27 -2.326 54.959 9.988 1.0 0.0 H
ATOM 439 HD22 ASN A 27 -1.556 54.062 8.738 1.0 0.0 H
ATOM 440 N LYS A 28 1.023 58.858 11.951 1.0 0.0 N
ATOM 441 CA LYS A 28 2.198 59.716 12.111 1.0 0.0 C
ATOM 442 CB LYS A 28 1.882 60.915 13.016 1.0 0.0 C
ATOM 443 CG LYS A 28 0.717 61.779 12.569 1.0 0.0 C
ATOM 444 CD LYS A 28 0.154 62.553 13.751 1.0 0.0 C
ATOM 445 CE LYS A 28 -0.818 63.638 13.317 1.0 0.0 C
ATOM 446 NZ LYS A 28 -0.102 64.871 12.889 1.0 0.0 N
ATOM 447 C LYS A 28 3.284 58.888 12.779 1.0 0.0 C
ATOM 448 O LYS A 28 3.042 58.293 13.836 1.0 0.0 O
ATOM 449 H LYS A 28 0.309 59.403 11.512 1.0 0.0 H
ATOM 450 HA LYS A 28 2.655 59.769 11.223 1.0 0.0 H
ATOM 451 HB2 LYS A 28 2.044 60.287 13.777 1.0 0.0 H
ATOM 452 HB3 LYS A 28 2.798 60.755 13.384 1.0 0.0 H
ATOM 453 HG2 LYS A 28 1.219 62.141 11.783 1.0 0.0 H
ATOM 454 HG3 LYS A 28 0.548 61.248 11.738 1.0 0.0 H
ATOM 455 HD2 LYS A 28 -0.002 61.696 14.241 1.0 0.0 H
ATOM 456 HD3 LYS A 28 0.906 62.230 14.325 1.0 0.0 H
ATOM 457 HE2 LYS A 28 -1.342 62.993 12.760 1.0 0.0 H
ATOM 458 HE3 LYS A 28 -1.577 63.222 13.817 1.0 0.0 H
ATOM 459 HZ1 LYS A 28 -0.741 65.585 12.603 1.0 0.0 H
ATOM 460 HZ2 LYS A 28 0.471 65.014 12.082 1.0 0.0 H
ATOM 461 HZ3 LYS A 28 0.422 65.516 13.446 1.0 0.0 H
ATOM 462 N THR A 29 4.482 58.861 12.208 1.0 0.0 N
ATOM 463 CA THR A 29 5.577 58.125 12.833 1.0 0.0 C
ATOM 464 CB THR A 29 6.500 57.492 11.790 1.0 0.0 C
ATOM 465 OG1 THR A 29 6.954 58.499 10.872 1.0 0.0 O
ATOM 466 CG2 THR A 29 5.761 56.392 11.036 1.0 0.0 C
ATOM 467 C THR A 29 6.392 58.983 13.802 1.0 0.0 C
ATOM 468 O THR A 29 7.246 58.456 14.523 1.0 0.0 O
ATOM 469 H THR A 29 3.949 58.300 11.574 1.0 0.0 H
ATOM 470 HA THR A 29 5.082 57.667 13.572 1.0 0.0 H
ATOM 471 HB THR A 29 7.388 57.430 12.246 1.0 0.0 H
ATOM 472 HG1 THR A 29 7.557 58.085 10.190 1.0 0.0 H
ATOM 473 HG21 THR A 29 6.364 55.978 10.354 1.0 0.0 H
ATOM 474 HG22 THR A 29 5.009 56.496 10.385 1.0 0.0 H
ATOM 475 HG23 THR A 29 5.461 55.505 11.387 1.0 0.0 H
ATOM 476 N MET A 30 6.150 60.299 13.804 1.0 0.0 N
ATOM 477 CA MET A 30 6.660 61.190 14.870 1.0 0.0 C
ATOM 478 CB MET A 30 8.072 61.669 14.554 1.0 0.0 C
ATOM 479 CG MET A 30 8.732 62.358 15.740 1.0 0.0 C
ATOM 480 SD MET A 30 10.244 63.429 14.975 1.0 0.0 S
ATOM 481 CE MET A 30 9.431 64.785 13.781 1.0 0.0 C
ATOM 482 C MET A 30 5.782 62.394 15.128 1.0 0.0 C
ATOM 483 O MET A 30 5.324 63.045 14.178 1.0 0.0 O
ATOM 484 H MET A 30 6.731 59.503 13.633 1.0 0.0 H
ATOM 485 HA MET A 30 6.378 60.703 15.697 1.0 0.0 H
ATOM 486 HB2 MET A 30 8.265 60.793 14.111 1.0 0.0 H
ATOM 487 HB3 MET A 30 7.869 61.603 13.577 1.0 0.0 H
ATOM 488 HG2 MET A 30 7.844 62.645 16.099 1.0 0.0 H
ATOM 489 HG3 MET A 30 8.213 61.807 16.393 1.0 0.0 H
ATOM 490 HE1 MET A 30 10.185 65.319 13.399 1.0 0.0 H
ATOM 491 HE2 MET A 30 8.922 65.625 13.971 1.0 0.0 H
ATOM 492 HE3 MET A 30 9.013 64.714 12.876 1.0 0.0 H
ATOM 493 N LEU A 31 5.572 62.689 16.427 1.0 0.0 N
ATOM 494 CA LEU A 31 4.798 63.842 16.882 1.0 0.0 C
ATOM 495 CB LEU A 31 3.947 63.477 18.107 1.0 0.0 C
ATOM 496 CG LEU A 31 2.990 62.295 17.940 1.0 0.0 C
ATOM 497 CD1 LEU A 31 2.264 62.016 19.248 1.0 0.0 C
ATOM 498 CD2 LEU A 31 1.972 62.548 16.844 1.0 0.0 C
ATOM 499 C LEU A 31 5.686 65.044 17.248 1.0 0.0 C
ATOM 500 O LEU A 31 6.897 64.910 17.484 1.0 0.0 O
ATOM 501 H LEU A 31 4.995 61.908 16.189 1.0 0.0 H
ATOM 502 HA LEU A 31 4.451 64.242 16.034 1.0 0.0 H
ATOM 503 HB2 LEU A 31 4.787 63.663 18.617 1.0 0.0 H
ATOM 504 HB3 LEU A 31 4.230 64.386 18.412 1.0 0.0 H
ATOM 505 HG LEU A 31 3.754 61.651 17.969 1.0 0.0 H
ATOM 506 HD11 LEU A 31 1.639 61.243 19.139 1.0 0.0 H
ATOM 507 HD12 LEU A 31 1.570 62.579 19.698 1.0 0.0 H
ATOM 508 HD13 LEU A 31 2.646 61.651 20.097 1.0 0.0 H
ATOM 509 HD21 LEU A 31 2.449 62.731 15.984 1.0 0.0 H
ATOM 510 HD22 LEU A 31 1.370 63.343 16.765 1.0 0.0 H
ATOM 511 HD23 LEU A 31 1.353 61.874 16.442 1.0 0.0 H
ATOM 512 N THR A 32 5.060 66.217 17.305 1.0 0.0 N
ATOM 513 CA THR A 32 5.690 67.439 17.819 1.0 0.0 C
ATOM 514 CB THR A 32 5.425 68.639 16.909 1.0 0.0 C
ATOM 515 OG1 THR A 32 4.026 68.959 16.930 1.0 0.0 O
ATOM 516 CG2 THR A 32 5.847 68.322 15.491 1.0 0.0 C
ATOM 517 C THR A 32 5.138 67.775 19.203 1.0 0.0 C
ATOM 518 O THR A 32 4.105 67.235 19.618 1.0 0.0 O
ATOM 519 H THR A 32 5.421 65.997 16.399 1.0 0.0 H
ATOM 520 HA THR A 32 6.599 67.160 18.130 1.0 0.0 H
ATOM 521 HB THR A 32 5.692 69.442 17.442 1.0 0.0 H
ATOM 522 HG1 THR A 32 3.853 69.744 16.335 1.0 0.0 H
ATOM 523 HG21 THR A 32 5.674 69.107 14.896 1.0 0.0 H
ATOM 524 HG22 THR A 32 5.419 67.677 14.858 1.0 0.0 H
ATOM 525 HG23 THR A 32 6.777 68.195 15.146 1.0 0.0 H
ATOM 526 N THR A 33 5.826 68.675 19.909 1.0 0.0 N
ATOM 527 CA THR A 33 5.390 69.104 21.238 1.0 0.0 C
ATOM 528 CB THR A 33 6.220 70.304 21.775 1.0 0.0 C
ATOM 529 OG1 THR A 33 6.196 71.386 20.834 1.0 0.0 O
ATOM 530 CG2 THR A 33 7.668 69.916 22.041 1.0 0.0 C
ATOM 531 C THR A 33 3.906 69.480 21.184 1.0 0.0 C
ATOM 532 O THR A 33 3.117 69.090 22.043 1.0 0.0 O
ATOM 533 H THR A 33 6.795 68.430 19.944 1.0 0.0 H
ATOM 534 HA THR A 33 5.201 68.232 21.689 1.0 0.0 H
ATOM 535 HB THR A 33 5.604 70.747 22.427 1.0 0.0 H
ATOM 536 HG1 THR A 33 6.730 72.158 21.179 1.0 0.0 H
ATOM 537 HG21 THR A 33 8.202 70.688 22.386 1.0 0.0 H
ATOM 538 HG22 THR A 33 8.400 69.680 21.402 1.0 0.0 H
ATOM 539 HG23 THR A 33 8.057 69.318 22.741 1.0 0.0 H
ATOM 540 N PHE A 34 3.527 70.204 20.135 1.0 0.0 N
ATOM 541 CA PHE A 34 2.185 70.760 20.031 1.0 0.0 C
ATOM 542 CB PHE A 34 2.207 71.967 19.120 1.0 0.0 C
ATOM 543 CG PHE A 34 3.143 73.032 19.597 1.0 0.0 C
ATOM 544 CD1 PHE A 34 2.855 73.761 20.726 1.0 0.0 C
ATOM 545 CE1 PHE A 34 3.720 74.737 21.175 1.0 0.0 C
ATOM 546 CZ PHE A 34 4.894 74.992 20.491 1.0 0.0 C
ATOM 547 CE2 PHE A 34 5.194 74.269 19.357 1.0 0.0 C
ATOM 548 CD2 PHE A 34 4.323 73.287 18.919 1.0 0.0 C
ATOM 549 C PHE A 34 1.134 69.757 19.585 1.0 0.0 C
ATOM 550 O PHE A 34 -0.039 69.930 19.902 1.0 0.0 O
ATOM 551 H PHE A 34 4.219 70.864 20.428 1.0 0.0 H
ATOM 552 HA PHE A 34 1.888 70.698 20.984 1.0 0.0 H
ATOM 553 HB2 PHE A 34 2.256 71.366 18.323 1.0 0.0 H
ATOM 554 HB3 PHE A 34 1.328 71.691 18.731 1.0 0.0 H
ATOM 555 HD1 PHE A 34 2.009 73.582 21.228 1.0 0.0 H
ATOM 556 HE1 PHE A 34 3.497 75.261 21.997 1.0 0.0 H
ATOM 557 HZ PHE A 34 5.523 75.698 20.818 1.0 0.0 H
ATOM 558 HE2 PHE A 34 6.038 74.453 18.853 1.0 0.0 H
ATOM 559 HD2 PHE A 34 4.549 72.755 18.103 1.0 0.0 H
ATOM 560 N ASP A 35 1.543 68.707 18.877 1.0 0.0 N
ATOM 561 CA ASP A 35 0.624 67.611 18.543 1.0 0.0 C
ATOM 562 CB ASP A 35 1.325 66.524 17.720 1.0 0.0 C
ATOM 563 CG ASP A 35 1.577 66.942 16.274 1.0 0.0 C
ATOM 564 OD1 ASP A 35 0.594 67.101 15.520 1.0 0.0 O
ATOM 565 OD2 ASP A 35 2.758 67.106 15.888 1.0 0.0 O
ATOM 566 C ASP A 35 0.020 66.993 19.806 1.0 0.0 C
ATOM 567 O ASP A 35 -1.105 66.495 19.776 1.0 0.0 O
ATOM 568 H ASP A 35 1.086 69.416 19.414 1.0 0.0 H
ATOM 569 HA ASP A 35 -0.216 68.102 18.310 1.0 0.0 H
ATOM 570 HB2 ASP A 35 1.946 66.368 18.488 1.0 0.0 H
ATOM 571 HB3 ASP A 35 1.054 65.857 18.414 1.0 0.0 H
ATOM 572 N LEU A 36 0.773 67.039 20.908 1.0 0.0 N
ATOM 573 CA LEU A 36 0.321 66.533 22.207 1.0 0.0 C
ATOM 574 CB LEU A 36 1.503 65.973 22.987 1.0 0.0 C
ATOM 575 CG LEU A 36 2.129 64.720 22.379 1.0 0.0 C
ATOM 576 CD1 LEU A 36 3.453 64.402 23.048 1.0 0.0 C
ATOM 577 CD2 LEU A 36 1.173 63.541 22.488 1.0 0.0 C
ATOM 578 C LEU A 36 -0.375 67.593 23.053 1.0 0.0 C
ATOM 579 O LEU A 36 -1.338 67.293 23.753 1.0 0.0 O
ATOM 580 H LEU A 36 1.230 66.344 20.353 1.0 0.0 H
ATOM 581 HA LEU A 36 -0.522 66.043 21.984 1.0 0.0 H
ATOM 582 HB2 LEU A 36 1.805 66.920 23.095 1.0 0.0 H
ATOM 583 HB3 LEU A 36 1.172 66.536 23.744 1.0 0.0 H
ATOM 584 HG LEU A 36 2.417 65.209 21.556 1.0 0.0 H
ATOM 585 HD11 LEU A 36 3.863 63.581 22.650 1.0 0.0 H
ATOM 586 HD12 LEU A 36 3.618 64.080 23.980 1.0 0.0 H
ATOM 587 HD13 LEU A 36 4.315 64.907 22.995 1.0 0.0 H
ATOM 588 HD21 LEU A 36 0.300 63.751 22.047 1.0 0.0 H
ATOM 589 HD22 LEU A 36 0.718 63.179 23.302 1.0 0.0 H
ATOM 590 HD23 LEU A 36 1.229 62.649 22.040 1.0 0.0 H
ATOM 591 N ILE A 37 0.101 68.832 22.984 1.0 0.0 N
ATOM 592 CA ILE A 37 -0.559 69.948 23.673 1.0 0.0 C
ATOM 593 CB ILE A 37 0.309 71.211 23.615 1.0 0.0 C
ATOM 594 CG1 ILE A 37 1.626 70.962 24.353 1.0 0.0 C
ATOM 595 CD1 ILE A 37 2.747 71.892 23.958 1.0 0.0 C
ATOM 596 CG2 ILE A 37 -0.425 72.399 24.217 1.0 0.0 C
ATOM 597 C ILE A 37 -1.951 70.219 23.074 1.0 0.0 C
ATOM 598 O ILE A 37 -2.900 70.504 23.808 1.0 0.0 O
ATOM 599 H ILE A 37 1.005 68.656 23.373 1.0 0.0 H
ATOM 600 HA ILE A 37 -0.951 69.494 24.473 1.0 0.0 H
ATOM 601 HB ILE A 37 0.183 71.330 22.630 1.0 0.0 H
ATOM 602 HG12 ILE A 37 1.084 70.855 25.187 1.0 0.0 H
ATOM 603 HG13 ILE A 37 1.253 70.064 24.589 1.0 0.0 H
ATOM 604 HD11 ILE A 37 3.608 71.729 24.440 1.0 0.0 H
ATOM 605 HD12 ILE A 37 2.909 72.869 24.095 1.0 0.0 H
ATOM 606 HD13 ILE A 37 3.289 71.999 23.124 1.0 0.0 H
ATOM 607 HG21 ILE A 37 0.141 73.223 24.179 1.0 0.0 H
ATOM 608 HG22 ILE A 37 -0.668 72.565 25.173 1.0 0.0 H
ATOM 609 HG23 ILE A 37 -1.223 72.886 23.862 1.0 0.0 H
ATOM 610 N GLN A 38 -2.054 70.111 21.746 1.0 0.0 N
ATOM 611 CA GLN A 38 -3.341 70.146 21.046 1.0 0.0 C
ATOM 612 CB GLN A 38 -3.162 70.058 19.513 1.0 0.0 C
ATOM 613 CG GLN A 38 -3.477 71.338 18.739 1.0 0.0 C
ATOM 614 CD GLN A 38 -2.444 72.439 18.946 1.0 0.0 C
ATOM 615 OE1 GLN A 38 -1.272 72.275 18.607 1.0 0.0 O
ATOM 616 NE2 GLN A 38 -2.872 73.561 19.540 1.0 0.0 N
ATOM 617 C GLN A 38 -4.290 69.028 21.480 1.0 0.0 C
ATOM 618 O GLN A 38 -5.500 69.208 21.445 1.0 0.0 O
ATOM 619 H GLN A 38 -1.433 70.842 21.462 1.0 0.0 H
ATOM 620 HA GLN A 38 -3.829 70.873 21.530 1.0 0.0 H
ATOM 621 HB2 GLN A 38 -2.333 69.539 19.723 1.0 0.0 H
ATOM 622 HB3 GLN A 38 -3.169 69.071 19.675 1.0 0.0 H
ATOM 623 HG2 GLN A 38 -3.709 70.771 17.949 1.0 0.0 H
ATOM 624 HG3 GLN A 38 -4.416 71.008 18.646 1.0 0.0 H
ATOM 625 HE21 GLN A 38 -3.824 73.694 19.815 1.0 0.0 H
ATOM 626 HE22 GLN A 38 -2.214 74.293 19.715 1.0 0.0 H
ATOM 627 N ASP A 39 -3.750 67.868 21.840 1.0 0.0 N
ATOM 628 CA ASP A 39 -4.565 66.705 22.180 1.0 0.0 C
ATOM 629 CB ASP A 39 -3.695 65.442 22.153 1.0 0.0 C
ATOM 630 CG ASP A 39 -4.508 64.158 22.233 1.0 0.0 C
ATOM 631 OD1 ASP A 39 -5.580 64.130 22.867 1.0 0.0 O
ATOM 632 OD2 ASP A 39 -4.062 63.154 21.651 1.0 0.0 O
ATOM 633 C ASP A 39 -5.223 66.875 23.549 1.0 0.0 C
ATOM 634 O ASP A 39 -4.550 66.790 24.566 1.0 0.0 O
ATOM 635 H ASP A 39 -4.317 68.691 21.858 1.0 0.0 H
ATOM 636 HA ASP A 39 -5.426 66.882 21.702 1.0 0.0 H
ATOM 637 HB2 ASP A 39 -3.160 65.848 21.412 1.0 0.0 H
ATOM 638 HB3 ASP A 39 -2.908 66.007 22.402 1.0 0.0 H
ATOM 639 N PRO A 40 -6.549 67.090 23.585 1.0 0.0 N
ATOM 640 CA PRO A 40 -7.237 67.290 24.870 1.0 0.0 C
ATOM 641 CB PRO A 40 -8.675 67.597 24.456 1.0 0.0 C
ATOM 642 CG PRO A 40 -8.842 66.905 23.142 1.0 0.0 C
ATOM 643 CD PRO A 40 -7.501 66.964 22.462 1.0 0.0 C
ATOM 644 C PRO A 40 -7.230 66.051 25.740 1.0 0.0 C
ATOM 645 O PRO A 40 -7.257 66.161 26.962 1.0 0.0 O
ATOM 646 HA PRO A 40 -6.677 67.831 25.498 1.0 0.0 H
ATOM 647 HB2 PRO A 40 -9.180 67.240 25.242 1.0 0.0 H
ATOM 648 HB3 PRO A 40 -8.923 68.476 24.863 1.0 0.0 H
ATOM 649 HG2 PRO A 40 -9.215 66.039 23.475 1.0 0.0 H
ATOM 650 HG3 PRO A 40 -9.819 67.008 22.955 1.0 0.0 H
ATOM 651 HD2 PRO A 40 -7.475 66.099 21.961 1.0 0.0 H
ATOM 652 HD3 PRO A 40 -7.587 67.396 21.564 1.0 0.0 H
ATOM 653 N LYS A 41 -7.228 64.883 25.100 1.0 0.0 N
ATOM 654 CA LYS A 41 -7.271 63.604 25.792 1.0 0.0 C
ATOM 655 CB LYS A 41 -7.571 62.476 24.803 1.0 0.0 C
ATOM 656 CG LYS A 41 -7.879 61.137 25.462 1.0 0.0 C
ATOM 657 CD LYS A 41 -8.535 60.177 24.485 1.0 0.0 C
ATOM 658 CE LYS A 41 -10.017 60.472 24.313 1.0 0.0 C
ATOM 659 NZ LYS A 41 -10.476 60.115 22.944 1.0 0.0 N
ATOM 660 C LYS A 41 -5.950 63.340 26.500 1.0 0.0 C
ATOM 661 O LYS A 41 -5.932 62.852 27.635 1.0 0.0 O
ATOM 662 H LYS A 41 -8.096 65.056 24.635 1.0 0.0 H
ATOM 663 HA LYS A 41 -7.747 63.813 26.646 1.0 0.0 H
ATOM 664 HB2 LYS A 41 -8.125 63.133 24.291 1.0 0.0 H
ATOM 665 HB3 LYS A 41 -7.144 63.052 24.106 1.0 0.0 H
ATOM 666 HG2 LYS A 41 -6.968 61.102 25.872 1.0 0.0 H
ATOM 667 HG3 LYS A 41 -7.822 61.537 26.377 1.0 0.0 H
ATOM 668 HD2 LYS A 41 -7.777 60.291 23.843 1.0 0.0 H
ATOM 669 HD3 LYS A 41 -7.783 59.527 24.591 1.0 0.0 H
ATOM 670 HE2 LYS A 41 -10.252 60.028 25.177 1.0 0.0 H
ATOM 671 HE3 LYS A 41 -10.039 61.124 25.071 1.0 0.0 H
ATOM 672 HZ1 LYS A 41 -11.450 60.309 22.831 1.0 0.0 H
ATOM 673 HZ2 LYS A 41 -10.564 59.204 22.542 1.0 0.0 H
ATOM 674 HZ3 LYS A 41 -10.241 60.559 22.080 1.0 0.0 H
ATOM 675 N PHE A 42 -4.854 63.654 25.812 1.0 0.0 N
ATOM 676 CA PHE A 42 -3.526 63.595 26.403 1.0 0.0 C
ATOM 677 CB PHE A 42 -2.459 63.929 25.366 1.0 0.0 C
ATOM 678 CG PHE A 42 -1.114 64.236 25.955 1.0 0.0 C
ATOM 679 CD1 PHE A 42 -0.797 65.531 26.364 1.0 0.0 C
ATOM 680 CE1 PHE A 42 0.444 65.823 26.914 1.0 0.0 C
ATOM 681 CZ PHE A 42 1.386 64.819 27.054 1.0 0.0 C
ATOM 682 CE2 PHE A 42 1.081 63.526 26.642 1.0 0.0 C
ATOM 683 CD2 PHE A 42 -0.162 63.240 26.099 1.0 0.0 C
ATOM 684 C PHE A 42 -3.403 64.568 27.570 1.0 0.0 C
ATOM 685 O PHE A 42 -2.846 64.228 28.613 1.0 0.0 O
ATOM 686 H PHE A 42 -4.935 63.016 25.046 1.0 0.0 H
ATOM 687 HA PHE A 42 -3.549 62.779 26.980 1.0 0.0 H
ATOM 688 HB2 PHE A 42 -2.797 63.164 24.818 1.0 0.0 H
ATOM 689 HB3 PHE A 42 -3.201 64.103 24.719 1.0 0.0 H
ATOM 690 HD1 PHE A 42 -1.473 66.260 26.260 1.0 0.0 H
ATOM 691 HE1 PHE A 42 0.656 66.755 27.208 1.0 0.0 H
ATOM 692 HZ PHE A 42 2.282 65.022 27.449 1.0 0.0 H
ATOM 693 HE2 PHE A 42 1.761 62.799 26.738 1.0 0.0 H
ATOM 694 HD2 PHE A 42 -0.373 62.307 25.809 1.0 0.0 H
ATOM 695 N ARG A 43 -3.899 65.784 27.387 1.0 0.0 N
ATOM 696 CA ARG A 43 -3.766 66.802 28.415 1.0 0.0 C
ATOM 697 CB ARG A 43 -4.225 68.146 27.865 1.0 0.0 C
ATOM 698 CG ARG A 43 -3.299 68.670 26.776 1.0 0.0 C
ATOM 699 CD ARG A 43 -3.255 70.180 26.736 1.0 0.0 C
ATOM 700 NE ARG A 43 -3.042 70.690 28.071 1.0 0.0 N
ATOM 701 CZ ARG A 43 -3.435 71.879 28.496 1.0 0.0 C
ATOM 702 NH1 ARG A 43 -4.053 72.727 27.673 1.0 0.0 N
ATOM 703 NH2 ARG A 43 -3.206 72.218 29.774 1.0 0.0 N
ATOM 704 C ARG A 43 -4.537 66.430 29.678 1.0 0.0 C
ATOM 705 O ARG A 43 -4.058 66.599 30.793 1.0 0.0 O
ATOM 706 H ARG A 43 -3.598 64.902 27.748 1.0 0.0 H
ATOM 707 HA ARG A 43 -2.896 66.555 28.842 1.0 0.0 H
ATOM 708 HB2 ARG A 43 -5.164 67.806 27.817 1.0 0.0 H
ATOM 709 HB3 ARG A 43 -4.790 68.287 28.678 1.0 0.0 H
ATOM 710 HG2 ARG A 43 -2.603 68.005 27.045 1.0 0.0 H
ATOM 711 HG3 ARG A 43 -3.338 67.785 26.313 1.0 0.0 H
ATOM 712 HD2 ARG A 43 -2.589 70.241 25.993 1.0 0.0 H
ATOM 713 HD3 ARG A 43 -3.789 70.315 25.901 1.0 0.0 H
ATOM 714 HE ARG A 43 -2.562 70.101 28.721 1.0 0.0 H
ATOM 715 HH11 ARG A 43 -4.224 72.474 26.721 1.0 0.0 H
ATOM 716 HH12 ARG A 43 -4.350 73.626 27.994 1.0 0.0 H
ATOM 717 HH21 ARG A 43 -2.743 71.582 30.391 1.0 0.0 H
ATOM 718 HH22 ARG A 43 -3.503 73.117 30.095 1.0 0.0 H
ATOM 719 N SER A 44 -5.739 65.908 29.485 1.0 0.0 N
ATOM 720 CA SER A 44 -6.513 65.355 30.577 1.0 0.0 C
ATOM 721 CB SER A 44 -7.855 64.849 30.048 1.0 0.0 C
ATOM 722 OG SER A 44 -8.617 64.277 31.098 1.0 0.0 O
ATOM 723 C SER A 44 -5.759 64.218 31.288 1.0 0.0 C
ATOM 724 O SER A 44 -5.740 64.160 32.499 1.0 0.0 O
ATOM 725 H SER A 44 -6.229 66.647 29.023 1.0 0.0 H
ATOM 726 HA SER A 44 -6.349 65.997 31.325 1.0 0.0 H
ATOM 727 HB2 SER A 44 -8.082 65.694 29.564 1.0 0.0 H
ATOM 728 HB3 SER A 44 -7.568 64.713 29.100 1.0 0.0 H
ATOM 729 HG SER A 44 -9.495 63.946 30.752 1.0 0.0 H
ATOM 730 N LEU A 45 -5.153 63.319 30.519 1.0 0.0 N
ATOM 731 CA LEU A 45 -4.440 62.146 31.052 1.0 0.0 C
ATOM 732 CB LEU A 45 -4.015 61.213 29.911 1.0 0.0 C
ATOM 733 CG LEU A 45 -3.208 59.960 30.280 1.0 0.0 C
ATOM 734 CD1 LEU A 45 -4.125 58.882 30.830 1.0 0.0 C
ATOM 735 CD2 LEU A 45 -2.454 59.417 29.087 1.0 0.0 C
ATOM 736 C LEU A 45 -3.192 62.505 31.835 1.0 0.0 C
ATOM 737 O LEU A 45 -2.941 61.944 32.902 1.0 0.0 O
ATOM 738 H LEU A 45 -5.976 63.082 30.003 1.0 0.0 H
ATOM 739 HA LEU A 45 -4.985 61.853 31.838 1.0 0.0 H
ATOM 740 HB2 LEU A 45 -4.928 61.438 29.571 1.0 0.0 H
ATOM 741 HB3 LEU A 45 -4.272 62.022 29.382 1.0 0.0 H
ATOM 742 HG LEU A 45 -2.856 60.400 31.106 1.0 0.0 H
ATOM 743 HD11 LEU A 45 -3.599 58.066 31.070 1.0 0.0 H
ATOM 744 HD12 LEU A 45 -4.815 58.350 30.339 1.0 0.0 H
ATOM 745 HD13 LEU A 45 -4.619 58.877 31.699 1.0 0.0 H
ATOM 746 HD21 LEU A 45 -1.850 60.127 28.725 1.0 0.0 H
ATOM 747 HD22 LEU A 45 -2.843 59.188 28.195 1.0 0.0 H
ATOM 748 HD23 LEU A 45 -1.741 58.716 29.106 1.0 0.0 H
ATOM 749 N GLY A 46 -2.402 63.415 31.283 1.0 0.0 N
ATOM 750 CA GLY A 46 -1.114 63.751 31.853 1.0 0.0 C
ATOM 751 C GLY A 46 -1.190 64.587 33.111 1.0 0.0 C
ATOM 752 O GLY A 46 -0.400 64.396 34.027 1.0 0.0 O
ATOM 753 H GLY A 46 -2.352 62.862 30.451 1.0 0.0 H
ATOM 754 HA2 GLY A 46 -0.839 62.807 31.673 1.0 0.0 H
ATOM 755 HA3 GLY A 46 -0.724 63.511 30.964 1.0 0.0 H
ATOM 756 N ALA A 47 -2.139 65.517 33.155 1.0 0.0 N
ATOM 757 CA ALA A 47 -2.335 66.384 34.319 1.0 0.0 C
ATOM 758 CB ALA A 47 -2.626 67.804 33.877 1.0 0.0 C
ATOM 759 C ALA A 47 -3.477 65.850 35.167 1.0 0.0 C
ATOM 760 O ALA A 47 -4.636 65.901 34.770 1.0 0.0 O
ATOM 761 H ALA A 47 -1.947 64.580 33.447 1.0 0.0 H
ATOM 762 HA ALA A 47 -1.641 66.073 34.968 1.0 0.0 H
ATOM 763 HB1 ALA A 47 -1.874 68.155 33.319 1.0 0.0 H
ATOM 764 HB2 ALA A 47 -2.658 68.628 34.442 1.0 0.0 H
ATOM 765 HB3 ALA A 47 -3.320 68.115 33.228 1.0 0.0 H
ATOM 766 N GLN A 48 -3.139 65.321 36.332 1.0 0.0 N
ATOM 767 CA GLN A 48 -4.125 64.716 37.212 1.0 0.0 C
ATOM 768 CB GLN A 48 -3.999 63.197 37.201 1.0 0.0 C
ATOM 769 CG GLN A 48 -4.748 62.537 36.057 1.0 0.0 C
ATOM 770 CD GLN A 48 -4.294 61.109 35.818 1.0 0.0 C
ATOM 771 OE1 GLN A 48 -3.341 60.624 36.452 1.0 0.0 O
ATOM 772 NE2 GLN A 48 -4.970 60.425 34.903 1.0 0.0 N
ATOM 773 C GLN A 48 -3.959 65.206 38.628 1.0 0.0 C
ATOM 774 O GLN A 48 -2.897 65.701 39.004 1.0 0.0 O
ATOM 775 H GLN A 48 -3.249 64.996 35.393 1.0 0.0 H
ATOM 776 HA GLN A 48 -4.964 65.233 37.041 1.0 0.0 H
ATOM 777 HB2 GLN A 48 -3.024 63.304 37.395 1.0 0.0 H
ATOM 778 HB3 GLN A 48 -3.707 63.250 38.156 1.0 0.0 H
ATOM 779 HG2 GLN A 48 -5.610 62.898 36.413 1.0 0.0 H
ATOM 780 HG3 GLN A 48 -5.024 63.436 35.718 1.0 0.0 H
ATOM 781 HE21 GLN A 48 -5.737 60.815 34.393 1.0 0.0 H
ATOM 782 HE22 GLN A 48 -4.701 59.480 34.716 1.0 0.0 H
ATOM 783 N ARG A 49 -5.034 65.068 39.398 1.0 0.0 N
ATOM 784 CA ARG A 49 -5.007 65.318 40.821 1.0 0.0 C
ATOM 785 CB ARG A 49 -6.203 66.180 41.240 1.0 0.0 C
ATOM 786 CG ARG A 49 -6.090 67.633 40.795 1.0 0.0 C
ATOM 787 CD ARG A 49 -5.143 68.408 41.694 1.0 0.0 C
ATOM 788 NE ARG A 49 -4.554 69.578 41.042 1.0 0.0 N
ATOM 789 CZ ARG A 49 -3.659 70.386 41.617 1.0 0.0 C
ATOM 790 NH1 ARG A 49 -3.231 70.149 42.860 1.0 0.0 N
ATOM 791 NH2 ARG A 49 -3.177 71.432 40.953 1.0 0.0 N
ATOM 792 C ARG A 49 -5.023 63.975 41.530 1.0 0.0 C
ATOM 793 O ARG A 49 -5.655 63.029 41.079 1.0 0.0 O
ATOM 794 H ARG A 49 -4.254 64.506 39.125 1.0 0.0 H
ATOM 795 HA ARG A 49 -4.034 65.438 41.020 1.0 0.0 H
ATOM 796 HB2 ARG A 49 -6.803 65.431 40.958 1.0 0.0 H
ATOM 797 HB3 ARG A 49 -6.431 65.469 41.905 1.0 0.0 H
ATOM 798 HG2 ARG A 49 -5.972 67.363 39.839 1.0 0.0 H
ATOM 799 HG3 ARG A 49 -6.946 67.586 40.280 1.0 0.0 H
ATOM 800 HD2 ARG A 49 -5.803 68.344 42.443 1.0 0.0 H
ATOM 801 HD3 ARG A 49 -5.040 67.602 42.277 1.0 0.0 H
ATOM 802 HE ARG A 49 -4.840 69.786 40.106 1.0 0.0 H
ATOM 803 HH11 ARG A 49 -3.594 69.362 43.359 1.0 0.0 H
ATOM 804 HH12 ARG A 49 -2.561 70.754 43.290 1.0 0.0 H
ATOM 805 HH21 ARG A 49 -3.497 71.609 40.022 1.0 0.0 H
ATOM 806 HH22 ARG A 49 -2.507 72.037 41.383 1.0 0.0 H
ATOM 807 N TRP A 50 -4.295 63.891 42.630 1.0 0.0 N
ATOM 808 CA TRP A 50 -4.341 62.708 43.467 1.0 0.0 C
ATOM 809 CB TRP A 50 -3.425 61.613 42.925 1.0 0.0 C
ATOM 810 CG TRP A 50 -1.954 61.948 43.006 1.0 0.0 C
ATOM 811 CD1 TRP A 50 -1.272 62.799 42.198 1.0 0.0 C
ATOM 812 NE1 TRP A 50 0.054 62.853 42.571 1.0 0.0 N
ATOM 813 CE2 TRP A 50 0.247 62.022 43.638 1.0 0.0 C
ATOM 814 CD2 TRP A 50 -0.998 61.433 43.940 1.0 0.0 C
ATOM 815 CE3 TRP A 50 -1.074 60.534 44.998 1.0 0.0 C
ATOM 816 CZ3 TRP A 50 0.075 60.249 45.707 1.0 0.0 C
ATOM 817 CH2 TRP A 50 1.302 60.851 45.387 1.0 0.0 C
ATOM 818 CZ2 TRP A 50 1.405 61.742 44.358 1.0 0.0 C
ATOM 819 C TRP A 50 -3.960 63.050 44.894 1.0 0.0 C
ATOM 820 O TRP A 50 -3.314 64.069 45.148 1.0 0.0 O
ATOM 821 H TRP A 50 -4.546 63.665 41.689 1.0 0.0 H
ATOM 822 HA TRP A 50 -5.314 62.642 43.690 1.0 0.0 H
ATOM 823 HB2 TRP A 50 -3.998 60.948 43.404 1.0 0.0 H
ATOM 824 HB3 TRP A 50 -4.227 61.240 42.458 1.0 0.0 H
ATOM 825 HD1 TRP A 50 -1.674 63.313 41.440 1.0 0.0 H
ATOM 826 HE1 TRP A 50 0.759 63.410 42.132 1.0 0.0 H
ATOM 827 HE3 TRP A 50 -1.943 60.103 45.240 1.0 0.0 H
ATOM 828 HZ3 TRP A 50 0.033 59.599 46.466 1.0 0.0 H
ATOM 829 HH2 TRP A 50 2.115 60.623 45.922 1.0 0.0 H
ATOM 830 HZ2 TRP A 50 2.277 62.176 44.131 1.0 0.0 H
ATOM 831 N GLY A 51 -4.400 62.206 45.819 1.0 0.0 N
ATOM 832 CA GLY A 51 -3.975 62.295 47.204 1.0 0.0 C
ATOM 833 C GLY A 51 -4.260 63.632 47.862 1.0 0.0 C
ATOM 834 O GLY A 51 -5.397 64.104 47.866 1.0 0.0 O
ATOM 835 H GLY A 51 -4.212 61.325 45.385 1.0 0.0 H
ATOM 836 HA2 GLY A 51 -4.346 61.374 47.324 1.0 0.0 H
ATOM 837 HA3 GLY A 51 -3.405 61.496 47.012 1.0 0.0 H
ATOM 838 N ALA A 52 -3.204 64.243 48.401 1.0 0.0 N
ATOM 839 CA ALA A 52 -3.295 65.503 49.151 1.0 0.0 C
ATOM 840 CB ALA A 52 -2.067 65.646 50.047 1.0 0.0 C
ATOM 841 C ALA A 52 -3.417 66.725 48.232 1.0 0.0 C
ATOM 842 O ALA A 52 -2.683 67.701 48.385 1.0 0.0 O
ATOM 843 H ALA A 52 -4.008 64.149 47.814 1.0 0.0 H
ATOM 844 HA ALA A 52 -4.256 65.542 49.424 1.0 0.0 H
ATOM 845 HB1 ALA A 52 -1.987 64.849 50.646 1.0 0.0 H
ATOM 846 HB2 ALA A 52 -1.932 66.294 50.797 1.0 0.0 H
ATOM 847 HB3 ALA A 52 -1.106 65.607 49.774 1.0 0.0 H
ATOM 848 N LYS A 53 -4.350 66.671 47.290 1.0 0.0 N
ATOM 849 CA LYS A 53 -4.388 67.637 46.207 1.0 0.0 C
ATOM 850 CB LYS A 53 -4.978 68.964 46.680 1.0 0.0 C
ATOM 851 CG LYS A 53 -6.495 68.954 46.690 1.0 0.0 C
ATOM 852 CD LYS A 53 -7.069 70.329 46.985 1.0 0.0 C
ATOM 853 CE LYS A 53 -8.500 70.450 46.478 1.0 0.0 C
ATOM 854 NZ LYS A 53 -9.301 71.388 47.315 1.0 0.0 N
ATOM 855 C LYS A 53 -3.000 67.826 45.597 1.0 0.0 C
ATOM 856 O LYS A 53 -2.585 68.942 45.281 1.0 0.0 O
ATOM 857 H LYS A 53 -5.258 66.547 47.689 1.0 0.0 H
ATOM 858 HA LYS A 53 -4.661 67.048 45.446 1.0 0.0 H
ATOM 859 HB2 LYS A 53 -4.317 68.987 47.430 1.0 0.0 H
ATOM 860 HB3 LYS A 53 -4.105 69.414 46.492 1.0 0.0 H
ATOM 861 HG2 LYS A 53 -6.508 68.416 45.847 1.0 0.0 H
ATOM 862 HG3 LYS A 53 -6.502 67.962 46.813 1.0 0.0 H
ATOM 863 HD2 LYS A 53 -6.729 70.297 47.925 1.0 0.0 H
ATOM 864 HD3 LYS A 53 -6.157 70.721 47.108 1.0 0.0 H
ATOM 865 HE2 LYS A 53 -8.188 70.559 45.534 1.0 0.0 H
ATOM 866 HE3 LYS A 53 -8.440 69.584 45.981 1.0 0.0 H
ATOM 867 HZ1 LYS A 53 -10.241 71.467 46.982 1.0 0.0 H
ATOM 868 HZ2 LYS A 53 -9.217 72.381 47.404 1.0 0.0 H
ATOM 869 HZ3 LYS A 53 -9.613 71.279 48.259 1.0 0.0 H
ATOM 870 N GLU A 54 -2.285 66.716 45.438 1.0 0.0 N
ATOM 871 CA GLU A 54 -1.048 66.703 44.677 1.0 0.0 C
ATOM 872 CB GLU A 54 -0.112 65.596 45.145 1.0 0.0 C
ATOM 873 CG GLU A 54 0.312 65.737 46.590 1.0 0.0 C
ATOM 874 CD GLU A 54 1.208 66.935 46.832 1.0 0.0 C
ATOM 875 OE1 GLU A 54 1.699 67.550 45.857 1.0 0.0 O
ATOM 876 OE2 GLU A 54 1.444 67.232 48.018 1.0 0.0 O
ATOM 877 C GLU A 54 -1.448 66.471 43.247 1.0 0.0 C
ATOM 878 O GLU A 54 -2.612 66.202 42.961 1.0 0.0 O
ATOM 879 H GLU A 54 -2.019 66.870 46.389 1.0 0.0 H
ATOM 880 HA GLU A 54 -0.825 67.664 44.515 1.0 0.0 H
ATOM 881 HB2 GLU A 54 -0.701 64.936 44.679 1.0 0.0 H
ATOM 882 HB3 GLU A 54 0.076 65.394 44.184 1.0 0.0 H
ATOM 883 HG2 GLU A 54 -0.629 65.542 46.867 1.0 0.0 H
ATOM 884 HG3 GLU A 54 0.061 64.780 46.734 1.0 0.0 H
ATOM 885 N TYR A 55 -0.480 66.548 42.348 1.0 0.0 N
ATOM 886 CA TYR A 55 -0.806 66.696 40.951 1.0 0.0 C
ATOM 887 CB TYR A 55 -1.243 68.153 40.647 1.0 0.0 C
ATOM 888 CG TYR A 55 -0.208 69.283 40.834 1.0 0.0 C
ATOM 889 CD1 TYR A 55 0.757 69.260 41.860 1.0 0.0 C
ATOM 890 CE1 TYR A 55 1.674 70.300 42.007 1.0 0.0 C
ATOM 891 CZ TYR A 55 1.624 71.393 41.134 1.0 0.0 C
ATOM 892 OH TYR A 55 2.515 72.434 41.258 1.0 0.0 O
ATOM 893 CE2 TYR A 55 0.672 71.449 40.137 1.0 0.0 C
ATOM 894 CD2 TYR A 55 -0.233 70.408 39.994 1.0 0.0 C
ATOM 895 C TYR A 55 0.319 66.193 40.053 1.0 0.0 C
ATOM 896 O TYR A 55 1.502 66.373 40.351 1.0 0.0 O
ATOM 897 H TYR A 55 -1.218 66.878 42.937 1.0 0.0 H
ATOM 898 HA TYR A 55 -1.242 65.805 40.826 1.0 0.0 H
ATOM 899 HB2 TYR A 55 -1.729 67.684 39.909 1.0 0.0 H
ATOM 900 HB3 TYR A 55 -2.128 67.688 40.685 1.0 0.0 H
ATOM 901 HD1 TYR A 55 0.785 68.486 42.493 1.0 0.0 H
ATOM 902 HE1 TYR A 55 2.363 70.265 42.731 1.0 0.0 H
ATOM 903 HH TYR A 55 3.205 72.393 41.981 1.0 0.0 H
ATOM 904 HE2 TYR A 55 0.635 72.236 39.521 1.0 0.0 H
ATOM 905 HD2 TYR A 55 -0.923 70.460 39.272 1.0 0.0 H
ATOM 906 N THR A 56 -0.079 65.507 38.984 1.0 0.0 N
ATOM 907 CA THR A 56 0.858 64.948 38.018 1.0 0.0 C
ATOM 908 CB THR A 56 0.389 63.596 37.443 1.0 0.0 C
ATOM 909 OG1 THR A 56 -0.728 63.797 36.578 1.0 0.0 O
ATOM 910 CG2 THR A 56 -0.013 62.630 38.544 1.0 0.0 C
ATOM 911 C THR A 56 1.013 65.899 36.867 1.0 0.0 C
ATOM 912 O THR A 56 0.242 66.842 36.703 1.0 0.0 O
ATOM 913 H THR A 56 -0.182 64.873 39.751 1.0 0.0 H
ATOM 914 HA THR A 56 1.763 65.107 38.412 1.0 0.0 H
ATOM 915 HB THR A 56 1.036 63.401 36.705 1.0 0.0 H
ATOM 916 HG1 THR A 56 -1.032 62.920 36.205 1.0 0.0 H
ATOM 917 HG21 THR A 56 -0.317 61.753 38.171 1.0 0.0 H
ATOM 918 HG22 THR A 56 -0.796 62.659 39.166 1.0 0.0 H
ATOM 919 HG23 THR A 56 0.553 62.165 39.225 1.0 0.0 H
ATOM 920 N TRP A 57 2.017 65.639 36.057 1.0 0.0 N
ATOM 921 CA TRP A 57 2.250 66.466 34.896 1.0 0.0 C
ATOM 922 CB TRP A 57 2.909 67.772 35.313 1.0 0.0 C
ATOM 923 CG TRP A 57 4.232 67.572 35.950 1.0 0.0 C
ATOM 924 CD1 TRP A 57 5.419 67.387 35.312 1.0 0.0 C
ATOM 925 NE1 TRP A 57 6.424 67.231 36.230 1.0 0.0 N
ATOM 926 CE2 TRP A 57 5.897 67.313 37.491 1.0 0.0 C
ATOM 927 CD2 TRP A 57 4.514 67.522 37.353 1.0 0.0 C
ATOM 928 CE3 TRP A 57 3.731 67.642 38.505 1.0 0.0 C
ATOM 929 CZ3 TRP A 57 4.344 67.545 39.739 1.0 0.0 C
ATOM 930 CH2 TRP A 57 5.721 67.339 39.843 1.0 0.0 C
ATOM 931 CZ2 TRP A 57 6.514 67.219 38.732 1.0 0.0 C
ATOM 932 C TRP A 57 3.126 65.741 33.883 1.0 0.0 C
ATOM 933 O TRP A 57 3.668 64.664 34.159 1.0 0.0 O
ATOM 934 H TRP A 57 1.442 66.115 36.722 1.0 0.0 H
ATOM 935 HA TRP A 57 1.422 66.350 34.348 1.0 0.0 H
ATOM 936 HB2 TRP A 57 2.666 68.177 34.432 1.0 0.0 H
ATOM 937 HB3 TRP A 57 2.021 68.231 35.286 1.0 0.0 H
ATOM 938 HD1 TRP A 57 5.540 67.368 34.320 1.0 0.0 H
ATOM 939 HE1 TRP A 57 7.389 67.081 36.014 1.0 0.0 H
ATOM 940 HE3 TRP A 57 2.745 67.795 38.437 1.0 0.0 H
ATOM 941 HZ3 TRP A 57 3.793 67.623 40.570 1.0 0.0 H
ATOM 942 HH2 TRP A 57 6.138 67.278 40.750 1.0 0.0 H
ATOM 943 HZ2 TRP A 57 7.500 67.069 38.812 1.0 0.0 H
ATOM 944 N VAL A 58 3.250 66.342 32.708 1.0 0.0 N
ATOM 945 CA VAL A 58 4.063 65.781 31.648 1.0 0.0 C
ATOM 946 CB VAL A 58 3.197 65.067 30.583 1.0 0.0 C
ATOM 947 CG1 VAL A 58 4.050 64.191 29.676 1.0 0.0 C
ATOM 948 CG2 VAL A 58 2.131 64.221 31.248 1.0 0.0 C
ATOM 949 C VAL A 58 4.862 66.901 31.014 1.0 0.0 C
ATOM 950 O VAL A 58 4.365 68.010 30.845 1.0 0.0 O
ATOM 951 H VAL A 58 2.723 65.603 33.127 1.0 0.0 H
ATOM 952 HA VAL A 58 4.864 65.436 32.138 1.0 0.0 H
ATOM 953 HB VAL A 58 3.075 65.905 30.051 1.0 0.0 H
ATOM 954 HG11 VAL A 58 3.490 63.730 28.988 1.0 0.0 H
ATOM 955 HG12 VAL A 58 4.536 63.343 29.888 1.0 0.0 H
ATOM 956 HG13 VAL A 58 4.724 64.459 28.987 1.0 0.0 H
ATOM 957 HG21 VAL A 58 1.571 63.760 30.560 1.0 0.0 H
ATOM 958 HG22 VAL A 58 1.330 64.531 31.761 1.0 0.0 H
ATOM 959 HG23 VAL A 58 2.253 63.383 31.780 1.0 0.0 H
ATOM 960 N GLY A 59 6.107 66.598 30.685 1.0 0.0 N
ATOM 961 CA GLY A 59 6.965 67.525 29.989 1.0 0.0 C
ATOM 962 C GLY A 59 7.830 66.774 28.999 1.0 0.0 C
ATOM 963 O GLY A 59 7.694 65.570 28.837 1.0 0.0 O
ATOM 964 H GLY A 59 5.536 67.094 31.339 1.0 0.0 H
ATOM 965 HA2 GLY A 59 6.221 68.158 29.775 1.0 0.0 H
ATOM 966 HA3 GLY A 59 6.906 68.245 30.680 1.0 0.0 H
ATOM 967 N ALA A 60 8.732 67.485 28.340 1.0 0.0 N
ATOM 968 CA ALA A 60 9.664 66.859 27.425 1.0 0.0 C
ATOM 969 CB ALA A 60 9.145 66.951 26.012 1.0 0.0 C
ATOM 970 C ALA A 60 11.001 67.547 27.542 1.0 0.0 C
ATOM 971 O ALA A 60 11.057 68.747 27.775 1.0 0.0 O
ATOM 972 H ALA A 60 9.076 67.424 29.277 1.0 0.0 H
ATOM 973 HA ALA A 60 9.985 66.045 27.909 1.0 0.0 H
ATOM 974 HB1 ALA A 60 8.259 66.495 25.934 1.0 0.0 H
ATOM 975 HB2 ALA A 60 9.505 66.500 25.195 1.0 0.0 H
ATOM 976 HB3 ALA A 60 8.824 67.765 25.528 1.0 0.0 H
ATOM 977 N GLY A 61 12.081 66.796 27.385 1.0 0.0 N
ATOM 978 CA GLY A 61 13.389 67.381 27.537 1.0 0.0 C
ATOM 979 C GLY A 61 14.538 66.535 27.055 1.0 0.0 C
ATOM 980 O GLY A 61 14.467 65.317 27.013 1.0 0.0 O
ATOM 981 H GLY A 61 11.318 67.358 27.705 1.0 0.0 H
ATOM 982 HA2 GLY A 61 12.963 68.232 27.229 1.0 0.0 H
ATOM 983 HA3 GLY A 61 12.934 68.000 28.178 1.0 0.0 H
ATOM 984 N ASN A 62 15.600 67.225 26.666 1.0 0.0 N
ATOM 985 CA ASN A 62 16.829 66.603 26.234 1.0 0.0 C
ATOM 986 CB ASN A 62 16.623 65.876 24.907 1.0 0.0 C
ATOM 987 CG ASN A 62 17.670 64.823 24.661 1.0 0.0 C
ATOM 988 OD1 ASN A 62 18.568 64.614 25.488 1.0 0.0 O
ATOM 989 ND2 ASN A 62 17.565 64.139 23.525 1.0 0.0 N
ATOM 990 C ASN A 62 17.884 67.682 26.057 1.0 0.0 C
ATOM 991 O ASN A 62 17.565 68.871 26.118 1.0 0.0 O
ATOM 992 H ASN A 62 15.735 67.701 27.535 1.0 0.0 H
ATOM 993 HA ASN A 62 17.249 66.228 27.060 1.0 0.0 H
ATOM 994 HB2 ASN A 62 15.646 65.789 25.102 1.0 0.0 H
ATOM 995 HB3 ASN A 62 16.047 66.625 24.580 1.0 0.0 H
ATOM 996 HD21 ASN A 62 16.840 64.308 22.857 1.0 0.0 H
ATOM 997 HD22 ASN A 62 18.239 63.426 23.331 1.0 0.0 H
ATOM 998 N LYS A 63 19.136 67.276 25.859 1.0 0.0 N
ATOM 999 CA LYS A 63 20.163 68.205 25.407 1.0 0.0 C
ATOM 1000 CB LYS A 63 21.556 67.745 25.815 1.0 0.0 C
ATOM 1001 CG LYS A 63 21.799 67.867 27.303 1.0 0.0 C
ATOM 1002 CD LYS A 63 23.263 67.659 27.649 1.0 0.0 C
ATOM 1003 CE LYS A 63 23.416 67.140 29.074 1.0 0.0 C
ATOM 1004 NZ LYS A 63 24.832 66.841 29.420 1.0 0.0 N
ATOM 1005 C LYS A 63 20.077 68.338 23.897 1.0 0.0 C
ATOM 1006 O LYS A 63 19.960 67.339 23.190 1.0 0.0 O
ATOM 1007 H LYS A 63 19.193 67.188 26.854 1.0 0.0 H
ATOM 1008 HA LYS A 63 19.743 69.099 25.562 1.0 0.0 H
ATOM 1009 HB2 LYS A 63 21.455 66.942 25.228 1.0 0.0 H
ATOM 1010 HB3 LYS A 63 21.856 67.842 24.866 1.0 0.0 H
ATOM 1011 HG2 LYS A 63 21.244 68.698 27.345 1.0 0.0 H
ATOM 1012 HG3 LYS A 63 20.830 67.715 27.499 1.0 0.0 H
ATOM 1013 HD2 LYS A 63 23.435 67.184 26.786 1.0 0.0 H
ATOM 1014 HD3 LYS A 63 23.571 68.261 26.913 1.0 0.0 H
ATOM 1015 HE2 LYS A 63 22.808 67.859 29.412 1.0 0.0 H
ATOM 1016 HE3 LYS A 63 22.448 66.890 29.101 1.0 0.0 H
ATOM 1017 HZ1 LYS A 63 24.932 66.501 30.355 1.0 0.0 H
ATOM 1018 HZ2 LYS A 63 25.607 67.459 29.551 1.0 0.0 H
ATOM 1019 HZ3 LYS A 63 25.440 66.122 29.082 1.0 0.0 H
ATOM 1020 N VAL A 64 20.102 69.581 23.422 1.0 0.0 N
ATOM 1021 CA VAL A 64 20.119 69.891 22.002 1.0 0.0 C
ATOM 1022 CB VAL A 64 18.728 70.317 21.497 1.0 0.0 C
ATOM 1023 CG1 VAL A 64 18.787 70.708 20.025 1.0 0.0 C
ATOM 1024 CG2 VAL A 64 17.714 69.203 21.702 1.0 0.0 C
ATOM 1025 C VAL A 64 21.113 71.029 21.813 1.0 0.0 C
ATOM 1026 O VAL A 64 21.065 72.028 22.534 1.0 0.0 O
ATOM 1027 H VAL A 64 19.449 68.834 23.546 1.0 0.0 H
ATOM 1028 HA VAL A 64 20.740 69.217 21.602 1.0 0.0 H
ATOM 1029 HB VAL A 64 18.789 71.200 21.962 1.0 0.0 H
ATOM 1030 HG11 VAL A 64 17.884 70.985 19.697 1.0 0.0 H
ATOM 1031 HG12 VAL A 64 18.940 70.121 19.230 1.0 0.0 H
ATOM 1032 HG13 VAL A 64 19.226 71.504 19.609 1.0 0.0 H
ATOM 1033 HG21 VAL A 64 16.811 69.480 21.374 1.0 0.0 H
ATOM 1034 HG22 VAL A 64 17.336 68.851 22.558 1.0 0.0 H
ATOM 1035 HG23 VAL A 64 17.653 68.320 21.237 1.0 0.0 H
ATOM 1036 N ALA A 65 22.010 70.872 20.841 1.0 0.0 N
ATOM 1037 CA ALA A 65 23.173 71.755 20.691 1.0 0.0 C
ATOM 1038 CB ALA A 65 22.738 73.162 20.286 1.0 0.0 C
ATOM 1039 C ALA A 65 24.000 71.779 21.989 1.0 0.0 C
ATOM 1040 O ALA A 65 24.502 72.824 22.406 1.0 0.0 O
ATOM 1041 H ALA A 65 22.295 69.951 21.106 1.0 0.0 H
ATOM 1042 HA ALA A 65 23.832 71.142 20.254 1.0 0.0 H
ATOM 1043 HB1 ALA A 65 22.201 73.146 19.443 1.0 0.0 H
ATOM 1044 HB2 ALA A 65 23.289 73.926 19.949 1.0 0.0 H
ATOM 1045 HB3 ALA A 65 22.079 73.775 20.723 1.0 0.0 H
ATOM 1046 N GLY A 66 24.131 70.608 22.613 1.0 0.0 N
ATOM 1047 CA GLY A 66 24.828 70.469 23.886 1.0 0.0 C
ATOM 1048 C GLY A 66 24.294 71.378 24.979 1.0 0.0 C
ATOM 1049 O GLY A 66 25.050 71.830 25.841 1.0 0.0 O
ATOM 1050 H GLY A 66 24.483 70.009 21.893 1.0 0.0 H
ATOM 1051 HA2 GLY A 66 24.801 69.478 23.752 1.0 0.0 H
ATOM 1052 HA3 GLY A 66 25.568 70.027 23.379 1.0 0.0 H
ATOM 1053 N ARG A 67 22.987 71.629 24.953 1.0 0.0 N
ATOM 1054 CA ARG A 67 22.361 72.587 25.856 1.0 0.0 C
ATOM 1055 CB ARG A 67 22.197 73.930 25.142 1.0 0.0 C
ATOM 1056 CG ARG A 67 21.743 75.086 26.028 1.0 0.0 C
ATOM 1057 CD ARG A 67 21.569 76.368 25.221 1.0 0.0 C
ATOM 1058 NE ARG A 67 20.929 76.119 23.923 1.0 0.0 N
ATOM 1059 CZ ARG A 67 19.630 75.868 23.738 1.0 0.0 C
ATOM 1060 NH1 ARG A 67 18.785 75.825 24.769 1.0 0.0 N
ATOM 1061 NH2 ARG A 67 19.166 75.653 22.506 1.0 0.0 N
ATOM 1062 C ARG A 67 21.007 72.052 26.293 1.0 0.0 C
ATOM 1063 O ARG A 67 20.197 71.660 25.454 1.0 0.0 O
ATOM 1064 H ARG A 67 23.094 70.751 25.420 1.0 0.0 H
ATOM 1065 HA ARG A 67 22.771 72.407 26.750 1.0 0.0 H
ATOM 1066 HB2 ARG A 67 23.045 73.696 24.666 1.0 0.0 H
ATOM 1067 HB3 ARG A 67 22.202 73.379 24.308 1.0 0.0 H
ATOM 1068 HG2 ARG A 67 21.052 74.510 26.465 1.0 0.0 H
ATOM 1069 HG3 ARG A 67 22.054 74.616 26.854 1.0 0.0 H
ATOM 1070 HD2 ARG A 67 21.208 76.853 26.017 1.0 0.0 H
ATOM 1071 HD3 ARG A 67 22.282 76.837 25.742 1.0 0.0 H
ATOM 1072 HE ARG A 67 21.513 76.139 23.112 1.0 0.0 H
ATOM 1073 HH11 ARG A 67 19.133 75.986 25.693 1.0 0.0 H
ATOM 1074 HH12 ARG A 67 17.813 75.637 24.631 1.0 0.0 H
ATOM 1075 HH21 ARG A 67 19.800 75.685 21.733 1.0 0.0 H
ATOM 1076 HH22 ARG A 67 18.194 75.465 22.368 1.0 0.0 H
ATOM 1077 N ASP A 68 20.755 72.060 27.601 1.0 0.0 N
ATOM 1078 CA ASP A 68 19.525 71.487 28.143 1.0 0.0 C
ATOM 1079 CB ASP A 68 19.573 71.440 29.674 1.0 0.0 C
ATOM 1080 CG ASP A 68 20.528 70.370 30.201 1.0 0.0 C
ATOM 1081 OD1 ASP A 68 20.267 69.165 29.988 1.0 0.0 O
ATOM 1082 OD2 ASP A 68 21.532 70.733 30.846 1.0 0.0 O
ATOM 1083 C ASP A 68 18.278 72.245 27.667 1.0 0.0 C
ATOM 1084 O ASP A 68 18.263 73.473 27.607 1.0 0.0 O
ATOM 1085 H ASP A 68 20.724 72.091 26.602 1.0 0.0 H
ATOM 1086 HA ASP A 68 19.363 70.738 27.501 1.0 0.0 H
ATOM 1087 HB2 ASP A 68 19.621 72.439 29.691 1.0 0.0 H
ATOM 1088 HB3 ASP A 68 18.709 71.943 29.701 1.0 0.0 H
ATOM 1089 N VAL A 69 17.249 71.483 27.301 1.0 0.0 N
ATOM 1090 CA VAL A 69 15.977 72.023 26.822 1.0 0.0 C
ATOM 1091 CB VAL A 69 15.820 71.847 25.292 1.0 0.0 C
ATOM 1092 CG1 VAL A 69 14.451 72.318 24.815 1.0 0.0 C
ATOM 1093 CG2 VAL A 69 16.919 72.596 24.554 1.0 0.0 C
ATOM 1094 C VAL A 69 14.873 71.249 27.522 1.0 0.0 C
ATOM 1095 O VAL A 69 14.871 70.027 27.493 1.0 0.0 O
ATOM 1096 H VAL A 69 17.976 71.992 26.840 1.0 0.0 H
ATOM 1097 HA VAL A 69 15.820 72.862 27.344 1.0 0.0 H
ATOM 1098 HB VAL A 69 15.692 70.859 25.374 1.0 0.0 H
ATOM 1099 HG11 VAL A 69 14.350 72.204 23.827 1.0 0.0 H
ATOM 1100 HG12 VAL A 69 14.075 73.243 24.768 1.0 0.0 H
ATOM 1101 HG13 VAL A 69 13.548 71.920 24.974 1.0 0.0 H
ATOM 1102 HG21 VAL A 69 16.818 72.482 23.566 1.0 0.0 H
ATOM 1103 HG22 VAL A 69 17.897 72.388 24.522 1.0 0.0 H
ATOM 1104 HG23 VAL A 69 17.047 73.584 24.472 1.0 0.0 H
ATOM 1105 N ALA A 70 13.935 71.960 28.138 1.0 0.0 N
ATOM 1106 CA ALA A 70 12.837 71.327 28.854 1.0 0.0 C
ATOM 1107 CB ALA A 70 13.127 71.312 30.331 1.0 0.0 C
ATOM 1108 C ALA A 70 11.555 72.086 28.570 1.0 0.0 C
ATOM 1109 O ALA A 70 11.574 73.287 28.351 1.0 0.0 O
ATOM 1110 H ALA A 70 13.742 71.970 27.157 1.0 0.0 H
ATOM 1111 HA ALA A 70 12.568 70.559 28.272 1.0 0.0 H
ATOM 1112 HB1 ALA A 70 13.972 70.812 30.518 1.0 0.0 H
ATOM 1113 HB2 ALA A 70 12.626 70.832 31.051 1.0 0.0 H
ATOM 1114 HB3 ALA A 70 13.396 72.080 30.913 1.0 0.0 H
ATOM 1115 N VAL A 71 10.438 71.380 28.570 1.0 0.0 N
ATOM 1116 CA VAL A 71 9.199 71.912 28.034 1.0 0.0 C
ATOM 1117 CB VAL A 71 9.122 71.584 26.532 1.0 0.0 C
ATOM 1118 CG1 VAL A 71 7.683 71.459 26.051 1.0 0.0 C
ATOM 1119 CG2 VAL A 71 9.883 72.619 25.721 1.0 0.0 C
ATOM 1120 C VAL A 71 8.030 71.256 28.732 1.0 0.0 C
ATOM 1121 O VAL A 71 8.051 70.044 28.900 1.0 0.0 O
ATOM 1122 H VAL A 71 11.211 71.814 28.108 1.0 0.0 H
ATOM 1123 HA VAL A 71 9.047 72.810 28.446 1.0 0.0 H
ATOM 1124 HB VAL A 71 9.355 70.624 26.684 1.0 0.0 H
ATOM 1125 HG11 VAL A 71 7.633 71.246 25.075 1.0 0.0 H
ATOM 1126 HG12 VAL A 71 6.973 72.156 25.945 1.0 0.0 H
ATOM 1127 HG13 VAL A 71 6.993 70.763 26.248 1.0 0.0 H
ATOM 1128 HG21 VAL A 71 9.833 72.406 24.745 1.0 0.0 H
ATOM 1129 HG22 VAL A 71 10.871 72.771 25.683 1.0 0.0 H
ATOM 1130 HG23 VAL A 71 9.650 73.579 25.569 1.0 0.0 H
ATOM 1131 N ILE A 72 7.004 72.027 29.106 1.0 0.0 N
ATOM 1132 CA ILE A 72 5.795 71.435 29.690 1.0 0.0 C
ATOM 1133 CB ILE A 72 5.209 72.278 30.836 1.0 0.0 C
ATOM 1134 CG1 ILE A 72 6.269 72.568 31.900 1.0 0.0 C
ATOM 1135 CD1 ILE A 72 6.845 73.965 31.813 1.0 0.0 C
ATOM 1136 CG2 ILE A 72 4.051 71.553 31.498 1.0 0.0 C
ATOM 1137 C ILE A 72 4.725 71.210 28.615 1.0 0.0 C
ATOM 1138 O ILE A 72 4.518 72.046 27.745 1.0 0.0 O
ATOM 1139 H ILE A 72 7.702 72.174 29.807 1.0 0.0 H
ATOM 1140 HA ILE A 72 6.055 70.470 29.716 1.0 0.0 H
ATOM 1141 HB ILE A 72 4.773 72.906 30.191 1.0 0.0 H
ATOM 1142 HG12 ILE A 72 5.676 72.125 32.573 1.0 0.0 H
ATOM 1143 HG13 ILE A 72 6.357 71.581 32.031 1.0 0.0 H
ATOM 1144 HD11 ILE A 72 7.538 74.155 32.509 1.0 0.0 H
ATOM 1145 HD12 ILE A 72 6.454 74.867 31.995 1.0 0.0 H
ATOM 1146 HD13 ILE A 72 7.438 74.408 31.140 1.0 0.0 H
ATOM 1147 HG21 ILE A 72 3.670 72.101 32.243 1.0 0.0 H
ATOM 1148 HG22 ILE A 72 4.075 70.728 32.063 1.0 0.0 H
ATOM 1149 HG23 ILE A 72 3.144 71.357 31.124 1.0 0.0 H
ATOM 1150 N LEU A 73 4.073 70.052 28.682 1.0 0.0 N
ATOM 1151 CA LEU A 73 3.067 69.620 27.704 1.0 0.0 C
ATOM 1152 CB LEU A 73 3.439 68.245 27.139 1.0 0.0 C
ATOM 1153 CG LEU A 73 4.859 68.142 26.575 1.0 0.0 C
ATOM 1154 CD1 LEU A 73 5.125 66.735 26.063 1.0 0.0 C
ATOM 1155 CD2 LEU A 73 5.093 69.173 25.478 1.0 0.0 C
ATOM 1156 C LEU A 73 1.670 69.558 28.307 1.0 0.0 C
ATOM 1157 O LEU A 73 0.678 69.841 27.640 1.0 0.0 O
ATOM 1158 H LEU A 73 4.990 70.093 28.286 1.0 0.0 H
ATOM 1159 HA LEU A 73 2.878 70.452 27.183 1.0 0.0 H
ATOM 1160 HB2 LEU A 73 2.970 67.867 27.937 1.0 0.0 H
ATOM 1161 HB3 LEU A 73 2.453 68.076 27.141 1.0 0.0 H
ATOM 1162 HG LEU A 73 5.248 68.095 27.495 1.0 0.0 H
ATOM 1163 HD11 LEU A 73 6.052 66.668 25.695 1.0 0.0 H
ATOM 1164 HD12 LEU A 73 4.725 66.283 25.266 1.0 0.0 H
ATOM 1165 HD13 LEU A 73 5.224 65.894 26.595 1.0 0.0 H
ATOM 1166 HD21 LEU A 73 4.918 70.098 25.815 1.0 0.0 H
ATOM 1167 HD22 LEU A 73 4.561 69.338 24.648 1.0 0.0 H
ATOM 1168 HD23 LEU A 73 5.954 69.454 25.053 1.0 0.0 H
ATOM 1169 N THR A 74 1.584 69.160 29.565 1.0 0.0 N
ATOM 1170 CA THR A 74 0.346 69.310 30.294 1.0 0.0 C
ATOM 1171 CB THR A 74 -0.619 68.140 30.031 1.0 0.0 C
ATOM 1172 OG1 THR A 74 -1.905 68.455 30.578 1.0 0.0 O
ATOM 1173 CG2 THR A 74 -0.100 66.852 30.641 1.0 0.0 C
ATOM 1174 C THR A 74 0.645 69.464 31.776 1.0 0.0 C
ATOM 1175 O THR A 74 1.618 68.903 32.301 1.0 0.0 O
ATOM 1176 H THR A 74 1.387 69.059 28.590 1.0 0.0 H
ATOM 1177 HA THR A 74 0.204 70.296 30.208 1.0 0.0 H
ATOM 1178 HB THR A 74 -0.917 68.285 29.088 1.0 0.0 H
ATOM 1179 HG1 THR A 74 -2.532 67.695 30.407 1.0 0.0 H
ATOM 1180 HG21 THR A 74 -0.727 66.092 30.470 1.0 0.0 H
ATOM 1181 HG22 THR A 74 -0.012 66.599 31.605 1.0 0.0 H
ATOM 1182 HG23 THR A 74 0.689 66.298 30.373 1.0 0.0 H
ATOM 1183 N HIS A 75 -0.202 70.244 32.433 1.0 0.0 N
ATOM 1184 CA HIS A 75 -0.019 70.631 33.820 1.0 0.0 C
ATOM 1185 CB HIS A 75 1.102 71.663 33.914 1.0 0.0 C
ATOM 1186 CG HIS A 75 1.756 71.735 35.256 1.0 0.0 C
ATOM 1187 ND1 HIS A 75 1.366 72.626 36.230 1.0 0.0 N
ATOM 1188 CE1 HIS A 75 2.129 72.475 37.296 1.0 0.0 C
ATOM 1189 NE2 HIS A 75 3.005 71.518 37.049 1.0 0.0 N
ATOM 1190 CD2 HIS A 75 2.797 71.043 35.776 1.0 0.0 C
ATOM 1191 C HIS A 75 -1.343 71.252 34.241 1.0 0.0 C
ATOM 1192 O HIS A 75 -1.982 71.935 33.432 1.0 0.0 O
ATOM 1193 H HIS A 75 0.668 69.836 32.156 1.0 0.0 H
ATOM 1194 HA HIS A 75 -0.161 69.822 34.391 1.0 0.0 H
ATOM 1195 HB2 HIS A 75 1.421 71.345 33.021 1.0 0.0 H
ATOM 1196 HB3 HIS A 75 0.718 72.087 33.094 1.0 0.0 H
ATOM 1197 HE1 HIS A 75 2.056 72.996 38.146 1.0 0.0 H
ATOM 1198 HE2 HIS A 75 3.705 71.192 37.684 1.0 0.0 H
ATOM 1199 HD2 HIS A 75 3.317 70.321 35.319 1.0 0.0 H
ATOM 1200 N PRO A 76 -1.783 71.010 35.481 1.0 0.0 N
ATOM 1201 CA PRO A 76 -3.049 71.630 35.901 1.0 0.0 C
ATOM 1202 CB PRO A 76 -3.367 70.921 37.217 1.0 0.0 C
ATOM 1203 CG PRO A 76 -2.591 69.652 37.165 1.0 0.0 C
ATOM 1204 CD PRO A 76 -1.327 69.994 36.439 1.0 0.0 C
ATOM 1205 C PRO A 76 -2.973 73.149 36.105 1.0 0.0 C
ATOM 1206 O PRO A 76 -3.963 73.850 35.884 1.0 0.0 O
ATOM 1207 HA PRO A 76 -3.623 71.733 35.089 1.0 0.0 H
ATOM 1208 HB2 PRO A 76 -3.092 71.622 37.875 1.0 0.0 H
ATOM 1209 HB3 PRO A 76 -4.280 71.222 37.492 1.0 0.0 H
ATOM 1210 HG2 PRO A 76 -2.550 69.432 38.140 1.0 0.0 H
ATOM 1211 HG3 PRO A 76 -3.270 68.919 37.195 1.0 0.0 H
ATOM 1212 HD2 PRO A 76 -0.728 70.359 37.152 1.0 0.0 H
ATOM 1213 HD3 PRO A 76 -0.707 69.218 36.327 1.0 0.0 H
ATOM 1214 N ALA A 77 -1.813 73.641 36.531 1.0 0.0 N
ATOM 1215 CA ALA A 77 -1.573 75.089 36.663 1.0 0.0 C
ATOM 1216 CB ALA A 77 -0.242 75.345 37.353 1.0 0.0 C
ATOM 1217 C ALA A 77 -1.623 75.862 35.344 1.0 0.0 C
ATOM 1218 O ALA A 77 -1.944 77.051 35.330 1.0 0.0 O
ATOM 1219 H ALA A 77 -2.688 73.473 36.077 1.0 0.0 H
ATOM 1220 HA ALA A 77 -2.473 75.406 36.961 1.0 0.0 H
ATOM 1221 HB1 ALA A 77 -0.209 74.840 38.215 1.0 0.0 H
ATOM 1222 HB2 ALA A 77 0.064 76.203 37.766 1.0 0.0 H
ATOM 1223 HB3 ALA A 77 0.658 75.028 37.055 1.0 0.0 H
ATOM 1224 N PHE A 78 -1.304 75.191 34.242 1.0 0.0 N
ATOM 1225 CA PHE A 78 -1.226 75.846 32.932 1.0 0.0 C
ATOM 1226 CB PHE A 78 -0.147 75.192 32.069 1.0 0.0 C
ATOM 1227 CG PHE A 78 1.259 75.533 32.495 1.0 0.0 C
ATOM 1228 CD1 PHE A 78 1.687 75.296 33.803 1.0 0.0 C
ATOM 1229 CE1 PHE A 78 2.983 75.597 34.197 1.0 0.0 C
ATOM 1230 CZ PHE A 78 3.874 76.135 33.284 1.0 0.0 C
ATOM 1231 CE2 PHE A 78 3.467 76.371 31.979 1.0 0.0 C
ATOM 1232 CD2 PHE A 78 2.166 76.072 31.591 1.0 0.0 C
ATOM 1233 C PHE A 78 -2.582 75.829 32.228 1.0 0.0 C
ATOM 1234 O PHE A 78 -2.789 75.090 31.265 1.0 0.0 O
ATOM 1235 H PHE A 78 -0.417 75.202 34.703 1.0 0.0 H
ATOM 1236 HA PHE A 78 -1.342 76.806 33.185 1.0 0.0 H
ATOM 1237 HB2 PHE A 78 -0.675 74.344 32.104 1.0 0.0 H
ATOM 1238 HB3 PHE A 78 -0.849 75.042 31.373 1.0 0.0 H
ATOM 1239 HD1 PHE A 78 1.050 74.903 34.466 1.0 0.0 H
ATOM 1240 HE1 PHE A 78 3.273 75.426 35.139 1.0 0.0 H
ATOM 1241 HZ PHE A 78 4.809 76.353 33.565 1.0 0.0 H
ATOM 1242 HE2 PHE A 78 4.110 76.756 31.317 1.0 0.0 H
ATOM 1243 HD2 PHE A 78 1.879 76.247 30.649 1.0 0.0 H
ATOM 1244 N THR A 79 -3.507 76.634 32.758 1.0 0.0 N
ATOM 1245 CA THR A 79 -4.843 76.824 32.176 1.0 0.0 C
ATOM 1246 CB THR A 79 -5.948 76.057 32.954 1.0 0.0 C
ATOM 1247 OG1 THR A 79 -5.746 76.198 34.365 1.0 0.0 O
ATOM 1248 CG2 THR A 79 -5.945 74.564 32.576 1.0 0.0 C
ATOM 1249 C THR A 79 -5.194 78.311 32.126 1.0 0.0 C
ATOM 1250 O THR A 79 -4.801 79.085 33.000 1.0 0.0 O
ATOM 1251 H THR A 79 -3.277 75.661 32.791 1.0 0.0 H
ATOM 1252 HA THR A 79 -4.644 76.779 31.197 1.0 0.0 H
ATOM 1253 HB THR A 79 -6.725 76.686 32.945 1.0 0.0 H
ATOM 1254 HG1 THR A 79 -6.457 75.704 34.866 1.0 0.0 H
ATOM 1255 HG21 THR A 79 -6.656 74.070 33.077 1.0 0.0 H
ATOM 1256 HG22 THR A 79 -5.265 73.861 32.786 1.0 0.0 H
ATOM 1257 HG23 THR A 79 -6.208 74.131 31.714 1.0 0.0 H
ATOM 1258 N GLY A 80 -5.931 78.696 31.089 1.0 0.0 N
ATOM 1259 CA GLY A 80 -6.305 80.085 30.889 1.0 0.0 C
ATOM 1260 C GLY A 80 -5.121 80.887 30.397 1.0 0.0 C
ATOM 1261 O GLY A 80 -4.563 80.606 29.328 1.0 0.0 O
ATOM 1262 H GLY A 80 -6.714 78.166 31.414 1.0 0.0 H
ATOM 1263 HA2 GLY A 80 -7.134 79.839 30.387 1.0 0.0 H
ATOM 1264 HA3 GLY A 80 -7.105 80.024 31.485 1.0 0.0 H
ATOM 1265 N GLN A 81 -4.719 81.868 31.198 1.0 0.0 N
ATOM 1266 CA GLN A 81 -3.621 82.761 30.835 1.0 0.0 C
ATOM 1267 CB GLN A 81 -3.392 83.779 31.951 1.0 0.0 C
ATOM 1268 CG GLN A 81 -2.176 84.669 31.754 1.0 0.0 C
ATOM 1269 CD GLN A 81 -2.308 85.968 32.535 1.0 0.0 C
ATOM 1270 OE1 GLN A 81 -2.498 87.054 31.978 1.0 0.0 O
ATOM 1271 NE2 GLN A 81 -2.232 85.848 33.853 1.0 0.0 N
ATOM 1272 C GLN A 81 -2.311 82.025 30.538 1.0 0.0 C
ATOM 1273 O GLN A 81 -1.565 82.424 29.640 1.0 0.0 O
ATOM 1274 H GLN A 81 -5.574 82.349 31.392 1.0 0.0 H
ATOM 1275 HA GLN A 81 -3.806 82.957 29.872 1.0 0.0 H
ATOM 1276 HB2 GLN A 81 -4.379 83.939 31.932 1.0 0.0 H
ATOM 1277 HB3 GLN A 81 -4.010 83.213 32.497 1.0 0.0 H
ATOM 1278 HG2 GLN A 81 -1.558 83.897 31.903 1.0 0.0 H
ATOM 1279 HG3 GLN A 81 -1.914 84.181 30.922 1.0 0.0 H
ATOM 1280 HE21 GLN A 81 -2.078 84.969 34.304 1.0 0.0 H
ATOM 1281 HE22 GLN A 81 -2.332 86.667 34.417 1.0 0.0 H
ATOM 1282 N TYR A 82 -2.047 80.956 31.293 1.0 0.0 N
ATOM 1283 CA TYR A 82 -0.747 80.279 31.270 1.0 0.0 C
ATOM 1284 CB TYR A 82 -0.380 79.805 32.680 1.0 0.0 C
ATOM 1285 CG TYR A 82 -0.716 80.853 33.688 1.0 0.0 C
ATOM 1286 CD1 TYR A 82 -0.175 82.130 33.576 1.0 0.0 C
ATOM 1287 CE1 TYR A 82 -0.499 83.125 34.473 1.0 0.0 C
ATOM 1288 CZ TYR A 82 -1.385 82.852 35.494 1.0 0.0 C
ATOM 1289 OH TYR A 82 -1.693 83.855 36.381 1.0 0.0 O
ATOM 1290 CE2 TYR A 82 -1.950 81.590 35.622 1.0 0.0 C
ATOM 1291 CD2 TYR A 82 -1.619 80.600 34.713 1.0 0.0 C
ATOM 1292 C TYR A 82 -0.690 79.119 30.288 1.0 0.0 C
ATOM 1293 O TYR A 82 0.364 78.500 30.134 1.0 0.0 O
ATOM 1294 H TYR A 82 -2.084 81.719 31.939 1.0 0.0 H
ATOM 1295 HA TYR A 82 -0.227 80.876 30.659 1.0 0.0 H
ATOM 1296 HB2 TYR A 82 -0.821 78.916 32.556 1.0 0.0 H
ATOM 1297 HB3 TYR A 82 0.275 79.119 32.362 1.0 0.0 H
ATOM 1298 HD1 TYR A 82 0.461 82.330 32.831 1.0 0.0 H
ATOM 1299 HE1 TYR A 82 -0.096 84.036 34.384 1.0 0.0 H
ATOM 1300 HH TYR A 82 -1.286 84.764 36.289 1.0 0.0 H
ATOM 1301 HE2 TYR A 82 -2.591 81.398 36.365 1.0 0.0 H
ATOM 1302 HD2 TYR A 82 -2.034 79.694 34.795 1.0 0.0 H
ATOM 1303 N GLU A 83 -1.803 78.841 29.609 1.0 0.0 N
ATOM 1304 CA GLU A 83 -1.822 77.791 28.594 1.0 0.0 C
ATOM 1305 CB GLU A 83 -3.211 77.630 27.976 1.0 0.0 C
ATOM 1306 CG GLU A 83 -3.904 76.360 28.415 1.0 0.0 C
ATOM 1307 CD GLU A 83 -5.376 76.349 28.066 1.0 0.0 C
ATOM 1308 OE1 GLU A 83 -5.690 76.402 26.854 1.0 0.0 O
ATOM 1309 OE2 GLU A 83 -6.202 76.290 29.012 1.0 0.0 O
ATOM 1310 C GLU A 83 -0.813 78.043 27.491 1.0 0.0 C
ATOM 1311 O GLU A 83 -0.201 77.112 26.986 1.0 0.0 O
ATOM 1312 H GLU A 83 -2.469 78.675 30.337 1.0 0.0 H
ATOM 1313 HA GLU A 83 -1.279 77.073 29.028 1.0 0.0 H
ATOM 1314 HB2 GLU A 83 -3.403 78.590 28.178 1.0 0.0 H
ATOM 1315 HB3 GLU A 83 -2.963 78.298 27.274 1.0 0.0 H
ATOM 1316 HG2 GLU A 83 -3.139 75.825 28.056 1.0 0.0 H
ATOM 1317 HG3 GLU A 83 -3.151 76.176 29.047 1.0 0.0 H
ATOM 1318 N LYS A 84 -0.634 79.307 27.127 1.0 0.0 N
ATOM 1319 CA LYS A 84 0.298 79.666 26.060 1.0 0.0 C
ATOM 1320 CB LYS A 84 0.052 81.107 25.586 1.0 0.0 C
ATOM 1321 CG LYS A 84 0.366 82.207 26.592 1.0 0.0 C
ATOM 1322 CD LYS A 84 -0.260 83.521 26.150 1.0 0.0 C
ATOM 1323 CE LYS A 84 0.367 84.718 26.840 1.0 0.0 C
ATOM 1324 NZ LYS A 84 0.056 84.759 28.290 1.0 0.0 N
ATOM 1325 C LYS A 84 1.781 79.443 26.416 1.0 0.0 C
ATOM 1326 O LYS A 84 2.645 79.605 25.550 1.0 0.0 O
ATOM 1327 H LYS A 84 -1.596 79.452 26.896 1.0 0.0 H
ATOM 1328 HA LYS A 84 0.270 78.811 25.542 1.0 0.0 H
ATOM 1329 HB2 LYS A 84 0.444 80.788 24.723 1.0 0.0 H
ATOM 1330 HB3 LYS A 84 -0.481 80.652 24.872 1.0 0.0 H
ATOM 1331 HG2 LYS A 84 0.110 81.635 27.371 1.0 0.0 H
ATOM 1332 HG3 LYS A 84 1.149 81.722 26.981 1.0 0.0 H
ATOM 1333 HD2 LYS A 84 -0.219 83.222 25.197 1.0 0.0 H
ATOM 1334 HD3 LYS A 84 -1.060 83.028 25.808 1.0 0.0 H
ATOM 1335 HE2 LYS A 84 1.236 84.548 26.376 1.0 0.0 H
ATOM 1336 HE3 LYS A 84 0.465 85.195 25.966 1.0 0.0 H
ATOM 1337 HZ1 LYS A 84 0.469 85.548 28.745 1.0 0.0 H
ATOM 1338 HZ2 LYS A 84 0.360 84.156 29.028 1.0 0.0 H
ATOM 1339 HZ3 LYS A 84 -0.813 84.929 28.754 1.0 0.0 H
ATOM 1340 N TYR A 85 2.078 79.079 27.671 1.0 0.0 N
ATOM 1341 CA TYR A 85 3.448 78.730 28.079 1.0 0.0 C
ATOM 1342 CB TYR A 85 3.776 79.338 29.450 1.0 0.0 C
ATOM 1343 CG TYR A 85 3.765 80.857 29.469 1.0 0.0 C
ATOM 1344 CD1 TYR A 85 4.308 81.602 28.418 1.0 0.0 C
ATOM 1345 CE1 TYR A 85 4.304 82.985 28.435 1.0 0.0 C
ATOM 1346 CZ TYR A 85 3.769 83.649 29.520 1.0 0.0 C
ATOM 1347 OH TYR A 85 3.772 85.023 29.543 1.0 0.0 O
ATOM 1348 CE2 TYR A 85 3.232 82.942 30.586 1.0 0.0 C
ATOM 1349 CD2 TYR A 85 3.232 81.553 30.555 1.0 0.0 C
ATOM 1350 C TYR A 85 3.730 77.218 28.067 1.0 0.0 C
ATOM 1351 O TYR A 85 4.836 76.783 28.399 1.0 0.0 O
ATOM 1352 H TYR A 85 1.895 80.062 27.679 1.0 0.0 H
ATOM 1353 HA TYR A 85 3.916 78.853 27.204 1.0 0.0 H
ATOM 1354 HB2 TYR A 85 3.179 78.646 29.856 1.0 0.0 H
ATOM 1355 HB3 TYR A 85 4.155 78.446 29.697 1.0 0.0 H
ATOM 1356 HD1 TYR A 85 4.708 81.124 27.636 1.0 0.0 H
ATOM 1357 HE1 TYR A 85 4.686 83.500 27.667 1.0 0.0 H
ATOM 1358 HH TYR A 85 4.159 85.533 28.775 1.0 0.0 H
ATOM 1359 HE2 TYR A 85 2.848 83.428 31.371 1.0 0.0 H
ATOM 1360 HD2 TYR A 85 2.844 81.044 31.323 1.0 0.0 H
ATOM 1361 N LEU A 86 2.745 76.419 27.670 1.0 0.0 N
ATOM 1362 CA LEU A 86 3.011 75.022 27.338 1.0 0.0 C
ATOM 1363 CB LEU A 86 1.713 74.247 27.158 1.0 0.0 C
ATOM 1364 CG LEU A 86 0.874 74.064 28.413 1.0 0.0 C
ATOM 1365 CD1 LEU A 86 -0.499 73.554 28.036 1.0 0.0 C
ATOM 1366 CD2 LEU A 86 1.551 73.111 29.386 1.0 0.0 C
ATOM 1367 C LEU A 86 3.805 74.971 26.040 1.0 0.0 C
ATOM 1368 O LEU A 86 3.623 75.815 25.175 1.0 0.0 O
ATOM 1369 H LEU A 86 2.223 76.452 28.523 1.0 0.0 H
ATOM 1370 HA LEU A 86 3.784 74.753 27.913 1.0 0.0 H
ATOM 1371 HB2 LEU A 86 1.620 74.766 26.308 1.0 0.0 H
ATOM 1372 HB3 LEU A 86 2.133 73.956 26.298 1.0 0.0 H
ATOM 1373 HG LEU A 86 0.727 75.049 28.498 1.0 0.0 H
ATOM 1374 HD11 LEU A 86 -1.051 73.434 28.861 1.0 0.0 H
ATOM 1375 HD12 LEU A 86 -0.721 72.649 27.672 1.0 0.0 H
ATOM 1376 HD13 LEU A 86 -1.212 74.060 27.550 1.0 0.0 H
ATOM 1377 HD21 LEU A 86 2.459 73.448 29.635 1.0 0.0 H
ATOM 1378 HD22 LEU A 86 1.896 72.188 29.214 1.0 0.0 H
ATOM 1379 HD23 LEU A 86 1.314 72.923 30.339 1.0 0.0 H
ATOM 1380 N GLY A 87 4.704 74.003 25.924 1.0 0.0 N
ATOM 1381 CA GLY A 87 5.530 73.875 24.738 1.0 0.0 C
ATOM 1382 C GLY A 87 6.677 74.872 24.673 1.0 0.0 C
ATOM 1383 O GLY A 87 7.326 75.010 23.626 1.0 0.0 O
ATOM 1384 H GLY A 87 3.950 73.348 25.967 1.0 0.0 H
ATOM 1385 HA2 GLY A 87 5.491 72.884 24.869 1.0 0.0 H
ATOM 1386 HA3 GLY A 87 4.777 73.353 24.336 1.0 0.0 H
ATOM 1387 N VAL A 88 6.933 75.559 25.787 1.0 0.0 N
ATOM 1388 CA VAL A 88 7.934 76.616 25.845 1.0 0.0 C
ATOM 1389 CB VAL A 88 7.308 77.950 26.319 1.0 0.0 C
ATOM 1390 CG1 VAL A 88 8.357 79.050 26.386 1.0 0.0 C
ATOM 1391 CG2 VAL A 88 6.169 78.364 25.393 1.0 0.0 C
ATOM 1392 C VAL A 88 9.078 76.190 26.773 1.0 0.0 C
ATOM 1393 O VAL A 88 8.850 75.557 27.811 1.0 0.0 O
ATOM 1394 H VAL A 88 6.187 75.837 25.182 1.0 0.0 H
ATOM 1395 HA VAL A 88 8.487 76.426 25.034 1.0 0.0 H
ATOM 1396 HB VAL A 88 7.254 77.638 27.267 1.0 0.0 H
ATOM 1397 HG11 VAL A 88 7.953 79.912 26.692 1.0 0.0 H
ATOM 1398 HG12 VAL A 88 8.840 79.504 25.637 1.0 0.0 H
ATOM 1399 HG13 VAL A 88 9.126 79.148 27.018 1.0 0.0 H
ATOM 1400 HG21 VAL A 88 5.765 79.226 25.699 1.0 0.0 H
ATOM 1401 HG22 VAL A 88 5.273 77.934 25.281 1.0 0.0 H
ATOM 1402 HG23 VAL A 88 6.223 78.676 24.445 1.0 0.0 H
ATOM 1403 N ASP A 89 10.303 76.539 26.377 1.0 0.0 N
ATOM 1404 CA ASP A 89 11.508 76.209 27.132 1.0 0.0 C
ATOM 1405 CB ASP A 89 12.758 76.582 26.322 1.0 0.0 C
ATOM 1406 CG ASP A 89 14.059 76.171 27.004 1.0 0.0 C
ATOM 1407 OD1 ASP A 89 14.074 75.197 27.792 1.0 0.0 O
ATOM 1408 OD2 ASP A 89 15.083 76.834 26.743 1.0 0.0 O
ATOM 1409 C ASP A 89 11.468 76.963 28.458 1.0 0.0 C
ATOM 1410 O ASP A 89 10.960 78.078 28.516 1.0 0.0 O
ATOM 1411 H ASP A 89 9.489 76.296 26.905 1.0 0.0 H
ATOM 1412 HA ASP A 89 11.278 75.348 27.586 1.0 0.0 H
ATOM 1413 HB2 ASP A 89 12.297 76.249 25.500 1.0 0.0 H
ATOM 1414 HB3 ASP A 89 12.194 77.224 25.803 1.0 0.0 H
ATOM 1415 N VAL A 90 11.991 76.360 29.520 1.0 0.0 N
ATOM 1416 CA VAL A 90 11.875 76.963 30.851 1.0 0.0 C
ATOM 1417 CB VAL A 90 11.526 75.919 31.933 1.0 0.0 C
ATOM 1418 CG1 VAL A 90 10.203 75.255 31.586 1.0 0.0 C
ATOM 1419 CG2 VAL A 90 12.633 74.883 32.093 1.0 0.0 C
ATOM 1420 C VAL A 90 13.094 77.788 31.253 1.0 0.0 C
ATOM 1421 O VAL A 90 13.184 78.252 32.386 1.0 0.0 O
ATOM 1422 H VAL A 90 11.192 75.819 29.257 1.0 0.0 H
ATOM 1423 HA VAL A 90 11.384 77.789 30.575 1.0 0.0 H
ATOM 1424 HB VAL A 90 11.227 76.642 32.556 1.0 0.0 H
ATOM 1425 HG11 VAL A 90 9.977 74.579 32.287 1.0 0.0 H
ATOM 1426 HG12 VAL A 90 10.032 74.629 30.825 1.0 0.0 H
ATOM 1427 HG13 VAL A 90 9.299 75.682 31.605 1.0 0.0 H
ATOM 1428 HG21 VAL A 90 12.407 74.207 32.794 1.0 0.0 H
ATOM 1429 HG22 VAL A 90 13.556 74.981 32.464 1.0 0.0 H
ATOM 1430 HG23 VAL A 90 12.932 74.160 31.470 1.0 0.0 H
ATOM 1431 N ALA A 91 14.026 77.977 30.326 1.0 0.0 N
ATOM 1432 CA ALA A 91 15.014 79.029 30.478 1.0 0.0 C
ATOM 1433 CB ALA A 91 15.861 79.148 29.221 1.0 0.0 C
ATOM 1434 C ALA A 91 14.276 80.336 30.754 1.0 0.0 C
ATOM 1435 O ALA A 91 14.668 81.099 31.641 1.0 0.0 O
ATOM 1436 H ALA A 91 13.469 77.899 31.153 1.0 0.0 H
ATOM 1437 HA ALA A 91 15.319 78.952 31.427 1.0 0.0 H
ATOM 1438 HB1 ALA A 91 16.345 78.292 29.040 1.0 0.0 H
ATOM 1439 HB2 ALA A 91 16.687 79.694 29.078 1.0 0.0 H
ATOM 1440 HB3 ALA A 91 15.556 79.225 28.272 1.0 0.0 H
ATOM 1441 N MET A 92 13.181 80.560 30.023 1.0 0.0 N
ATOM 1442 CA MET A 92 12.424 81.810 30.144 1.0 0.0 C
ATOM 1443 CB MET A 92 11.090 81.998 29.465 1.0 0.0 C
ATOM 1444 CG MET A 92 11.141 82.803 28.142 1.0 0.0 C
ATOM 1445 SD MET A 92 12.119 82.021 26.607 1.0 0.0 S
ATOM 1446 CE MET A 92 11.243 80.275 26.546 1.0 0.0 C
ATOM 1447 C MET A 92 11.955 81.999 31.540 1.0 0.0 C
ATOM 1448 O MET A 92 12.158 83.053 32.111 1.0 0.0 O
ATOM 1449 H MET A 92 13.497 80.433 29.083 1.0 0.0 H
ATOM 1450 HA MET A 92 12.962 82.613 29.887 1.0 0.0 H
ATOM 1451 HB2 MET A 92 10.916 81.043 29.706 1.0 0.0 H
ATOM 1452 HB3 MET A 92 10.709 81.726 30.348 1.0 0.0 H
ATOM 1453 HG2 MET A 92 10.264 83.030 28.565 1.0 0.0 H
ATOM 1454 HG3 MET A 92 10.709 83.374 28.840 1.0 0.0 H
ATOM 1455 HE1 MET A 92 11.737 79.880 25.771 1.0 0.0 H
ATOM 1456 HE2 MET A 92 10.309 80.283 26.189 1.0 0.0 H
ATOM 1457 HE3 MET A 92 11.505 79.645 27.277 1.0 0.0 H
ATOM 1458 N LEU A 93 11.250 81.005 32.067 1.0 0.0 N
ATOM 1459 CA LEU A 93 10.719 81.089 33.426 1.0 0.0 C
ATOM 1460 CB LEU A 93 9.818 79.892 33.728 1.0 0.0 C
ATOM 1461 CG LEU A 93 8.424 79.974 33.084 1.0 0.0 C
ATOM 1462 CD1 LEU A 93 8.013 78.673 32.391 1.0 0.0 C
ATOM 1463 CD2 LEU A 93 7.387 80.407 34.117 1.0 0.0 C
ATOM 1464 C LEU A 93 11.836 81.191 34.458 1.0 0.0 C
ATOM 1465 O LEU A 93 11.606 81.622 35.585 1.0 0.0 O
ATOM 1466 H LEU A 93 10.517 80.938 31.390 1.0 0.0 H
ATOM 1467 HA LEU A 93 10.505 82.063 33.501 1.0 0.0 H
ATOM 1468 HB2 LEU A 93 10.621 79.316 33.573 1.0 0.0 H
ATOM 1469 HB3 LEU A 93 10.455 79.688 34.471 1.0 0.0 H
ATOM 1470 HG LEU A 93 8.766 80.490 32.299 1.0 0.0 H
ATOM 1471 HD11 LEU A 93 7.106 78.726 31.972 1.0 0.0 H
ATOM 1472 HD12 LEU A 93 7.775 77.771 32.752 1.0 0.0 H
ATOM 1473 HD13 LEU A 93 8.350 78.222 31.565 1.0 0.0 H
ATOM 1474 HD21 LEU A 93 7.656 81.257 34.570 1.0 0.0 H
ATOM 1475 HD22 LEU A 93 7.147 79.992 34.995 1.0 0.0 H
ATOM 1476 HD23 LEU A 93 6.456 80.748 33.984 1.0 0.0 H
ATOM 1477 N ARG A 94 13.043 80.787 34.067 1.0 0.0 N
ATOM 1478 CA ARG A 94 14.247 81.116 34.822 1.0 0.0 C
ATOM 1479 CB ARG A 94 14.378 82.650 34.936 1.0 0.0 C
ATOM 1480 CG ARG A 94 15.769 83.209 34.664 1.0 0.0 C
ATOM 1481 CD ARG A 94 16.422 83.788 35.911 1.0 0.0 C
ATOM 1482 NE ARG A 94 15.924 85.131 36.223 1.0 0.0 N
ATOM 1483 CZ ARG A 94 16.242 86.242 35.551 1.0 0.0 C
ATOM 1484 NH1 ARG A 94 17.061 86.200 34.501 1.0 0.0 N
ATOM 1485 NH2 ARG A 94 15.731 87.410 35.927 1.0 0.0 N
ATOM 1486 C ARG A 94 14.197 80.422 36.186 1.0 0.0 C
ATOM 1487 O ARG A 94 14.372 81.041 37.233 1.0 0.0 O
ATOM 1488 H ARG A 94 12.958 79.793 33.993 1.0 0.0 H
ATOM 1489 HA ARG A 94 14.882 80.410 34.509 1.0 0.0 H
ATOM 1490 HB2 ARG A 94 13.497 82.682 34.464 1.0 0.0 H
ATOM 1491 HB3 ARG A 94 13.508 82.588 35.425 1.0 0.0 H
ATOM 1492 HG2 ARG A 94 15.981 82.394 34.125 1.0 0.0 H
ATOM 1493 HG3 ARG A 94 15.553 83.240 33.688 1.0 0.0 H
ATOM 1494 HD2 ARG A 94 16.285 82.933 36.411 1.0 0.0 H
ATOM 1495 HD3 ARG A 94 17.201 83.165 35.834 1.0 0.0 H
ATOM 1496 HE ARG A 94 15.299 85.223 36.998 1.0 0.0 H
ATOM 1497 HH11 ARG A 94 17.445 85.321 34.218 1.0 0.0 H
ATOM 1498 HH12 ARG A 94 17.299 87.031 33.998 1.0 0.0 H
ATOM 1499 HH21 ARG A 94 15.116 87.442 36.715 1.0 0.0 H
ATOM 1500 HH22 ARG A 94 15.969 88.241 35.424 1.0 0.0 H
ATOM 1501 N TRP A 95 13.942 79.117 36.151 1.0 0.0 N
ATOM 1502 CA TRP A 95 13.825 78.317 37.369 1.0 0.0 C
ATOM 1503 CB TRP A 95 13.090 76.998 37.085 1.0 0.0 C
ATOM 1504 CG TRP A 95 11.629 77.167 36.754 1.0 0.0 C
ATOM 1505 CD1 TRP A 95 10.895 78.322 36.806 1.0 0.0 C
ATOM 1506 NE1 TRP A 95 9.591 78.074 36.448 1.0 0.0 N
ATOM 1507 CE2 TRP A 95 9.452 76.742 36.169 1.0 0.0 C
ATOM 1508 CD2 TRP A 95 10.715 76.135 36.359 1.0 0.0 C
ATOM 1509 CE3 TRP A 95 10.843 74.759 36.134 1.0 0.0 C
ATOM 1510 CZ3 TRP A 95 9.718 74.042 35.730 1.0 0.0 C
ATOM 1511 CH2 TRP A 95 8.473 74.677 35.549 1.0 0.0 C
ATOM 1512 CZ2 TRP A 95 8.321 76.019 35.763 1.0 0.0 C
ATOM 1513 C TRP A 95 15.174 78.034 38.026 1.0 0.0 C
ATOM 1514 O TRP A 95 15.222 77.599 39.174 1.0 0.0 O
ATOM 1515 H TRP A 95 13.059 79.302 35.721 1.0 0.0 H
ATOM 1516 HA TRP A 95 13.590 79.021 38.040 1.0 0.0 H
ATOM 1517 HB2 TRP A 95 13.883 76.718 36.544 1.0 0.0 H
ATOM 1518 HB3 TRP A 95 13.850 76.535 37.542 1.0 0.0 H
ATOM 1519 HD1 TRP A 95 11.256 79.217 37.067 1.0 0.0 H
ATOM 1520 HE1 TRP A 95 8.862 78.757 36.399 1.0 0.0 H
ATOM 1521 HE3 TRP A 95 11.723 74.300 36.260 1.0 0.0 H
ATOM 1522 HZ3 TRP A 95 9.796 73.059 35.566 1.0 0.0 H
ATOM 1523 HH2 TRP A 95 7.685 74.135 35.258 1.0 0.0 H
ATOM 1524 HZ2 TRP A 95 7.437 76.468 35.635 1.0 0.0 H
ATOM 1525 N ASN A 96 16.257 78.242 37.286 1.0 0.0 N
ATOM 1526 CA ASN A 96 17.603 78.256 37.861 1.0 0.0 C
ATOM 1527 CB ASN A 96 18.628 78.639 36.792 1.0 0.0 C
ATOM 1528 CG ASN A 96 18.123 79.722 35.854 1.0 0.0 C
ATOM 1529 OD1 ASN A 96 17.225 79.487 35.040 1.0 0.0 O
ATOM 1530 ND2 ASN A 96 18.695 80.915 35.963 1.0 0.0 N
ATOM 1531 C ASN A 96 17.729 79.202 39.058 1.0 0.0 C
ATOM 1532 O ASN A 96 18.498 78.947 39.989 1.0 0.0 O
ATOM 1533 H ASN A 96 15.587 77.992 37.985 1.0 0.0 H
ATOM 1534 HA ASN A 96 17.602 77.435 38.432 1.0 0.0 H
ATOM 1535 HB2 ASN A 96 19.340 78.650 37.494 1.0 0.0 H
ATOM 1536 HB3 ASN A 96 19.110 77.781 36.968 1.0 0.0 H
ATOM 1537 HD21 ASN A 96 19.422 81.105 36.622 1.0 0.0 H
ATOM 1538 HD22 ASN A 96 18.386 81.652 35.362 1.0 0.0 H
ATOM 1539 N GLU A 97 16.976 80.298 39.016 1.0 0.0 N
ATOM 1540 CA GLU A 97 16.927 81.258 40.116 1.0 0.0 C
ATOM 1541 CB GLU A 97 16.747 82.675 39.561 1.0 0.0 C
ATOM 1542 CG GLU A 97 17.557 83.735 40.282 1.0 0.0 C
ATOM 1543 CD GLU A 97 18.935 83.940 39.673 1.0 0.0 C
ATOM 1544 OE1 GLU A 97 19.899 84.109 40.451 1.0 0.0 O
ATOM 1545 OE2 GLU A 97 19.062 83.943 38.425 1.0 0.0 O
ATOM 1546 C GLU A 97 15.768 80.915 41.049 1.0 0.0 C
ATOM 1547 O GLU A 97 15.968 80.693 42.240 1.0 0.0 O
ATOM 1548 H GLU A 97 17.735 80.523 38.405 1.0 0.0 H
ATOM 1549 HA GLU A 97 17.617 80.940 40.766 1.0 0.0 H
ATOM 1550 HB2 GLU A 97 16.800 82.272 38.647 1.0 0.0 H
ATOM 1551 HB3 GLU A 97 15.919 82.330 39.120 1.0 0.0 H
ATOM 1552 HG2 GLU A 97 16.747 84.321 40.303 1.0 0.0 H
ATOM 1553 HG3 GLU A 97 16.945 83.645 41.068 1.0 0.0 H
ATOM 1554 N THR A 98 14.562 80.874 40.479 1.0 0.0 N
ATOM 1555 CA THR A 98 13.314 80.688 41.225 1.0 0.0 C
ATOM 1556 CB THR A 98 12.091 80.611 40.277 1.0 0.0 C
ATOM 1557 OG1 THR A 98 12.234 81.567 39.222 1.0 0.0 O
ATOM 1558 CG2 THR A 98 10.794 80.883 41.031 1.0 0.0 C
ATOM 1559 C THR A 98 13.328 79.429 42.077 1.0 0.0 C
ATOM 1560 O THR A 98 13.196 79.499 43.298 1.0 0.0 O
ATOM 1561 H THR A 98 14.553 81.702 39.919 1.0 0.0 H
ATOM 1562 HA THR A 98 13.408 81.322 41.993 1.0 0.0 H
ATOM 1563 HB THR A 98 12.284 79.826 39.689 1.0 0.0 H
ATOM 1564 HG1 THR A 98 11.445 81.517 38.610 1.0 0.0 H
ATOM 1565 HG21 THR A 98 10.005 80.833 40.419 1.0 0.0 H
ATOM 1566 HG22 THR A 98 10.464 81.737 41.434 1.0 0.0 H
ATOM 1567 HG23 THR A 98 10.332 80.322 41.718 1.0 0.0 H
ATOM 1568 N MET A 99 13.471 78.281 41.422 1.0 0.0 N
ATOM 1569 CA MET A 99 13.396 76.985 42.090 1.0 0.0 C
ATOM 1570 CB MET A 99 12.149 76.237 41.620 1.0 0.0 C
ATOM 1571 CG MET A 99 10.838 76.960 41.927 1.0 0.0 C
ATOM 1572 SD MET A 99 9.550 76.685 40.455 1.0 0.0 S
ATOM 1573 CE MET A 99 8.293 75.513 41.437 1.0 0.0 C
ATOM 1574 C MET A 99 14.617 76.200 41.719 1.0 0.0 C
ATOM 1575 O MET A 99 14.531 75.280 40.915 1.0 0.0 O
ATOM 1576 H MET A 99 12.656 78.805 41.670 1.0 0.0 H
ATOM 1577 HA MET A 99 13.690 77.125 43.036 1.0 0.0 H
ATOM 1578 HB2 MET A 99 12.642 76.039 40.773 1.0 0.0 H
ATOM 1579 HB3 MET A 99 12.730 75.426 41.558 1.0 0.0 H
ATOM 1580 HG2 MET A 99 10.970 76.638 42.865 1.0 0.0 H
ATOM 1581 HG3 MET A 99 11.351 77.357 42.688 1.0 0.0 H
ATOM 1582 HE1 MET A 99 7.641 75.374 40.692 1.0 0.0 H
ATOM 1583 HE2 MET A 99 7.754 76.037 42.097 1.0 0.0 H
ATOM 1584 HE3 MET A 99 8.676 74.598 41.559 1.0 0.0 H
ATOM 1585 N PRO A 100 15.782 76.555 42.291 1.0 0.0 N
ATOM 1586 CA PRO A 100 17.015 75.892 41.861 1.0 0.0 C
ATOM 1587 CB PRO A 100 18.106 76.643 42.625 1.0 0.0 C
ATOM 1588 CG PRO A 100 17.429 77.177 43.838 1.0 0.0 C
ATOM 1589 CD PRO A 100 15.996 77.425 43.462 1.0 0.0 C
ATOM 1590 C PRO A 100 17.029 74.404 42.210 1.0 0.0 C
ATOM 1591 O PRO A 100 17.511 73.595 41.414 1.0 0.0 O
ATOM 1592 HA PRO A 100 16.952 75.693 40.883 1.0 0.0 H
ATOM 1593 HB2 PRO A 100 18.785 75.917 42.735 1.0 0.0 H
ATOM 1594 HB3 PRO A 100 18.766 76.955 41.942 1.0 0.0 H
ATOM 1595 HG2 PRO A 100 17.692 76.451 44.474 1.0 0.0 H
ATOM 1596 HG3 PRO A 100 18.195 77.575 44.343 1.0 0.0 H
ATOM 1597 HD2 PRO A 100 15.512 77.171 44.300 1.0 0.0 H
ATOM 1598 HD3 PRO A 100 15.745 78.363 43.702 1.0 0.0 H
ATOM 1599 N GLU A 101 16.468 74.054 43.369 1.0 0.0 N
ATOM 1600 CA GLU A 101 16.361 72.658 43.797 1.0 0.0 C
ATOM 1601 CB GLU A 101 15.541 72.544 45.088 1.0 0.0 C
ATOM 1602 CG GLU A 101 16.193 73.172 46.309 1.0 0.0 C
ATOM 1603 CD GLU A 101 15.474 72.833 47.602 1.0 0.0 C
ATOM 1604 OE1 GLU A 101 14.225 72.886 47.627 1.0 0.0 O
ATOM 1605 OE2 GLU A 101 16.162 72.516 48.596 1.0 0.0 O
ATOM 1606 C GLU A 101 15.693 71.827 42.711 1.0 0.0 C
ATOM 1607 O GLU A 101 16.214 70.788 42.296 1.0 0.0 O
ATOM 1608 H GLU A 101 16.907 74.600 44.083 1.0 0.0 H
ATOM 1609 HA GLU A 101 17.271 72.274 43.638 1.0 0.0 H
ATOM 1610 HB2 GLU A 101 14.741 72.773 44.533 1.0 0.0 H
ATOM 1611 HB3 GLU A 101 15.028 71.829 44.613 1.0 0.0 H
ATOM 1612 HG2 GLU A 101 17.088 72.898 45.956 1.0 0.0 H
ATOM 1613 HG3 GLU A 101 16.664 73.815 45.705 1.0 0.0 H
ATOM 1614 N LEU A 102 14.534 72.313 42.268 1.0 0.0 N
ATOM 1615 CA LEU A 102 13.745 71.689 41.208 1.0 0.0 C
ATOM 1616 CB LEU A 102 12.435 72.465 41.016 1.0 0.0 C
ATOM 1617 CG LEU A 102 11.436 72.024 39.938 1.0 0.0 C
ATOM 1618 CD1 LEU A 102 11.129 70.542 40.025 1.0 0.0 C
ATOM 1619 CD2 LEU A 102 10.152 72.823 40.080 1.0 0.0 C
ATOM 1620 C LEU A 102 14.503 71.628 39.889 1.0 0.0 C
ATOM 1621 O LEU A 102 14.461 70.622 39.197 1.0 0.0 O
ATOM 1622 H LEU A 102 14.036 72.353 43.134 1.0 0.0 H
ATOM 1623 HA LEU A 102 13.851 70.710 41.382 1.0 0.0 H
ATOM 1624 HB2 LEU A 102 12.537 72.501 42.010 1.0 0.0 H
ATOM 1625 HB3 LEU A 102 12.986 73.075 41.586 1.0 0.0 H
ATOM 1626 HG LEU A 102 12.102 72.091 39.195 1.0 0.0 H
ATOM 1627 HD11 LEU A 102 10.478 70.255 39.322 1.0 0.0 H
ATOM 1628 HD12 LEU A 102 10.626 70.028 40.720 1.0 0.0 H
ATOM 1629 HD13 LEU A 102 11.709 69.751 39.829 1.0 0.0 H
ATOM 1630 HD21 LEU A 102 10.355 73.801 40.023 1.0 0.0 H
ATOM 1631 HD22 LEU A 102 9.592 72.922 40.903 1.0 0.0 H
ATOM 1632 HD23 LEU A 102 9.399 72.875 39.424 1.0 0.0 H
ATOM 1633 N TYR A 103 15.185 72.712 39.541 1.0 0.0 N
ATOM 1634 CA TYR A 103 15.921 72.785 38.280 1.0 0.0 C
ATOM 1635 CB TYR A 103 16.618 74.140 38.145 1.0 0.0 C
ATOM 1636 CG TYR A 103 17.000 74.489 36.727 1.0 0.0 C
ATOM 1637 CD1 TYR A 103 16.081 74.346 35.675 1.0 0.0 C
ATOM 1638 CE1 TYR A 103 16.415 74.672 34.364 1.0 0.0 C
ATOM 1639 CZ TYR A 103 17.677 75.159 34.091 1.0 0.0 C
ATOM 1640 OH TYR A 103 17.988 75.484 32.786 1.0 0.0 O
ATOM 1641 CE2 TYR A 103 18.604 75.317 35.119 1.0 0.0 C
ATOM 1642 CD2 TYR A 103 18.262 74.986 36.427 1.0 0.0 C
ATOM 1643 C TYR A 103 16.940 71.662 38.161 1.0 0.0 C
ATOM 1644 O TYR A 103 16.953 70.945 37.164 1.0 0.0 O
ATOM 1645 H TYR A 103 14.515 73.450 39.619 1.0 0.0 H
ATOM 1646 HA TYR A 103 15.291 72.354 37.634 1.0 0.0 H
ATOM 1647 HB2 TYR A 103 15.938 74.517 38.774 1.0 0.0 H
ATOM 1648 HB3 TYR A 103 16.801 74.097 39.127 1.0 0.0 H
ATOM 1649 HD1 TYR A 103 15.163 74.001 35.873 1.0 0.0 H
ATOM 1650 HE1 TYR A 103 15.748 74.555 33.628 1.0 0.0 H
ATOM 1651 HH TYR A 103 17.323 75.371 32.048 1.0 0.0 H
ATOM 1652 HE2 TYR A 103 19.518 75.669 34.917 1.0 0.0 H
ATOM 1653 HD2 TYR A 103 18.932 75.107 37.159 1.0 0.0 H
ATOM 1654 N ASN A 104 17.766 71.491 39.189 1.0 0.0 N
ATOM 1655 CA ASN A 104 18.773 70.420 39.206 1.0 0.0 C
ATOM 1656 CB ASN A 104 19.632 70.510 40.477 1.0 0.0 C
ATOM 1657 CG ASN A 104 20.822 71.442 40.313 1.0 0.0 C
ATOM 1658 OD1 ASN A 104 20.936 72.163 39.322 1.0 0.0 O
ATOM 1659 ND2 ASN A 104 21.725 71.412 41.279 1.0 0.0 N
ATOM 1660 C ASN A 104 18.198 69.007 39.072 1.0 0.0 C
ATOM 1661 O ASN A 104 18.832 68.127 38.492 1.0 0.0 O
ATOM 1662 H ASN A 104 17.207 71.432 38.362 1.0 0.0 H
ATOM 1663 HA ASN A 104 19.088 70.446 38.257 1.0 0.0 H
ATOM 1664 HB2 ASN A 104 18.800 70.594 41.025 1.0 0.0 H
ATOM 1665 HB3 ASN A 104 19.219 69.660 40.805 1.0 0.0 H
ATOM 1666 HD21 ASN A 104 21.632 70.826 42.084 1.0 0.0 H
ATOM 1667 HD22 ASN A 104 22.532 71.998 41.201 1.0 0.0 H
ATOM 1668 N LEU A 105 17.003 68.791 39.604 1.0 0.0 N
ATOM 1669 CA LEU A 105 16.346 67.496 39.479 1.0 0.0 C
ATOM 1670 CB LEU A 105 15.194 67.400 40.478 1.0 0.0 C
ATOM 1671 CG LEU A 105 15.607 67.279 41.942 1.0 0.0 C
ATOM 1672 CD1 LEU A 105 14.404 67.494 42.848 1.0 0.0 C
ATOM 1673 CD2 LEU A 105 16.241 65.921 42.203 1.0 0.0 C
ATOM 1674 C LEU A 105 15.823 67.213 38.067 1.0 0.0 C
ATOM 1675 O LEU A 105 15.507 66.069 37.744 1.0 0.0 O
ATOM 1676 H LEU A 105 17.344 68.976 40.526 1.0 0.0 H
ATOM 1677 HA LEU A 105 17.118 66.867 39.391 1.0 0.0 H
ATOM 1678 HB2 LEU A 105 14.756 68.106 39.922 1.0 0.0 H
ATOM 1679 HB3 LEU A 105 14.645 67.181 39.672 1.0 0.0 H
ATOM 1680 HG LEU A 105 16.049 68.176 41.941 1.0 0.0 H
ATOM 1681 HD11 LEU A 105 14.675 67.415 43.807 1.0 0.0 H
ATOM 1682 HD12 LEU A 105 13.612 66.896 42.970 1.0 0.0 H
ATOM 1683 HD13 LEU A 105 13.900 68.343 43.008 1.0 0.0 H
ATOM 1684 HD21 LEU A 105 17.032 65.780 41.607 1.0 0.0 H
ATOM 1685 HD22 LEU A 105 15.875 65.013 41.999 1.0 0.0 H
ATOM 1686 HD23 LEU A 105 16.744 65.613 43.010 1.0 0.0 H
ATOM 1687 N LEU A 106 15.689 68.253 37.246 1.0 0.0 N
ATOM 1688 CA LEU A 106 15.318 68.089 35.845 1.0 0.0 C
ATOM 1689 CB LEU A 106 14.658 69.355 35.305 1.0 0.0 C
ATOM 1690 CG LEU A 106 13.434 69.894 36.043 1.0 0.0 C
ATOM 1691 CD1 LEU A 106 13.023 71.238 35.446 1.0 0.0 C
ATOM 1692 CD2 LEU A 106 12.282 68.903 36.011 1.0 0.0 C
ATOM 1693 C LEU A 106 16.566 67.795 35.031 1.0 0.0 C
ATOM 1694 O LEU A 106 16.601 66.844 34.250 1.0 0.0 O
ATOM 1695 H LEU A 106 14.867 68.447 37.782 1.0 0.0 H
ATOM 1696 HA LEU A 106 14.958 67.159 35.773 1.0 0.0 H
ATOM 1697 HB2 LEU A 106 15.611 69.614 35.150 1.0 0.0 H
ATOM 1698 HB3 LEU A 106 15.226 69.105 34.521 1.0 0.0 H
ATOM 1699 HG LEU A 106 14.003 70.189 36.811 1.0 0.0 H
ATOM 1700 HD11 LEU A 106 12.222 71.591 35.929 1.0 0.0 H
ATOM 1701 HD12 LEU A 106 12.627 71.403 34.543 1.0 0.0 H
ATOM 1702 HD13 LEU A 106 13.518 72.105 35.508 1.0 0.0 H
ATOM 1703 HD21 LEU A 106 12.551 68.023 36.402 1.0 0.0 H
ATOM 1704 HD22 LEU A 106 11.855 68.455 35.226 1.0 0.0 H
ATOM 1705 HD23 LEU A 106 11.430 68.906 36.534 1.0 0.0 H
ATOM 1706 N LEU A 107 17.590 68.618 35.226 1.0 0.0 N
ATOM 1707 CA LEU A 107 18.858 68.461 34.523 1.0 0.0 C
ATOM 1708 CB LEU A 107 19.911 69.422 35.088 1.0 0.0 C
ATOM 1709 CG LEU A 107 19.656 70.932 34.972 1.0 0.0 C
ATOM 1710 CD1 LEU A 107 20.688 71.707 35.789 1.0 0.0 C
ATOM 1711 CD2 LEU A 107 19.639 71.385 33.513 1.0 0.0 C
ATOM 1712 C LEU A 107 19.382 67.041 34.647 1.0 0.0 C
ATOM 1713 O LEU A 107 19.862 66.465 33.671 1.0 0.0 O
ATOM 1714 H LEU A 107 17.245 69.553 35.144 1.0 0.0 H
ATOM 1715 HA LEU A 107 18.605 68.375 33.560 1.0 0.0 H
ATOM 1716 HB2 LEU A 107 19.951 68.715 35.794 1.0 0.0 H
ATOM 1717 HB3 LEU A 107 20.426 68.565 35.069 1.0 0.0 H
ATOM 1718 HG LEU A 107 18.908 70.876 35.634 1.0 0.0 H
ATOM 1719 HD11 LEU A 107 20.522 72.690 35.713 1.0 0.0 H
ATOM 1720 HD12 LEU A 107 21.666 71.810 35.608 1.0 0.0 H
ATOM 1721 HD13 LEU A 107 20.780 71.751 36.784 1.0 0.0 H
ATOM 1722 HD21 LEU A 107 18.963 70.878 32.978 1.0 0.0 H
ATOM 1723 HD22 LEU A 107 20.323 71.263 32.794 1.0 0.0 H
ATOM 1724 HD23 LEU A 107 19.332 72.248 33.111 1.0 0.0 H
ATOM 1725 N LYS A 108 19.259 66.472 35.843 1.0 0.0 N
ATOM 1726 CA LYS A 108 19.865 65.182 36.158 1.0 0.0 C
ATOM 1727 CB LYS A 108 19.732 64.905 37.655 1.0 0.0 C
ATOM 1728 CG LYS A 108 20.676 63.844 38.196 1.0 0.0 C
ATOM 1729 CD LYS A 108 20.617 63.804 39.721 1.0 0.0 C
ATOM 1730 CE LYS A 108 21.111 62.474 40.274 1.0 0.0 C
ATOM 1731 NZ LYS A 108 22.541 62.218 39.934 1.0 0.0 N
ATOM 1732 C LYS A 108 19.295 64.009 35.369 1.0 0.0 C
ATOM 1733 O LYS A 108 19.954 62.991 35.243 1.0 0.0 O
ATOM 1734 H LYS A 108 19.633 67.242 36.361 1.0 0.0 H
ATOM 1735 HA LYS A 108 20.710 65.214 35.624 1.0 0.0 H
ATOM 1736 HB2 LYS A 108 19.657 65.896 37.766 1.0 0.0 H
ATOM 1737 HB3 LYS A 108 18.850 65.369 37.578 1.0 0.0 H
ATOM 1738 HG2 LYS A 108 20.349 63.160 37.544 1.0 0.0 H
ATOM 1739 HG3 LYS A 108 21.218 63.814 37.356 1.0 0.0 H
ATOM 1740 HD2 LYS A 108 21.023 64.716 39.770 1.0 0.0 H
ATOM 1741 HD3 LYS A 108 19.971 64.567 39.728 1.0 0.0 H
ATOM 1742 HE2 LYS A 108 20.687 62.668 41.158 1.0 0.0 H
ATOM 1743 HE3 LYS A 108 20.172 62.142 40.365 1.0 0.0 H
ATOM 1744 HZ1 LYS A 108 22.865 61.345 40.297 1.0 0.0 H
ATOM 1745 HZ2 LYS A 108 23.369 62.676 40.257 1.0 0.0 H
ATOM 1746 HZ3 LYS A 108 22.965 62.024 39.050 1.0 0.0 H
ATOM 1747 N ILE A 109 18.094 64.153 34.812 1.0 0.0 N
ATOM 1748 CA ILE A 109 17.492 63.092 33.992 1.0 0.0 C
ATOM 1749 CB ILE A 109 16.063 63.441 33.543 1.0 0.0 C
ATOM 1750 CG1 ILE A 109 15.154 63.684 34.747 1.0 0.0 C
ATOM 1751 CD1 ILE A 109 13.944 64.537 34.417 1.0 0.0 C
ATOM 1752 CG2 ILE A 109 15.491 62.333 32.667 1.0 0.0 C
ATOM 1753 C ILE A 109 18.328 62.866 32.735 1.0 0.0 C
ATOM 1754 O ILE A 109 18.892 61.786 32.517 1.0 0.0 O
ATOM 1755 H ILE A 109 17.546 64.301 35.635 1.0 0.0 H
ATOM 1756 HA ILE A 109 17.745 62.237 34.445 1.0 0.0 H
ATOM 1757 HB ILE A 109 16.404 64.094 32.866 1.0 0.0 H
ATOM 1758 HG12 ILE A 109 15.244 62.717 34.987 1.0 0.0 H
ATOM 1759 HG13 ILE A 109 15.913 63.421 35.342 1.0 0.0 H
ATOM 1760 HD11 ILE A 109 13.349 64.696 35.205 1.0 0.0 H
ATOM 1761 HD12 ILE A 109 13.131 64.356 33.863 1.0 0.0 H
ATOM 1762 HD13 ILE A 109 13.854 65.504 34.177 1.0 0.0 H
ATOM 1763 HG21 ILE A 109 14.562 62.560 32.375 1.0 0.0 H
ATOM 1764 HG22 ILE A 109 15.226 61.406 32.931 1.0 0.0 H
ATOM 1765 HG23 ILE A 109 15.762 62.070 31.741 1.0 0.0 H
ATOM 1766 N THR A 110 18.429 63.914 31.929 1.0 0.0 N
ATOM 1767 CA THR A 110 19.183 63.873 30.701 1.0 0.0 C
ATOM 1768 CB THR A 110 18.520 64.758 29.638 1.0 0.0 C
ATOM 1769 OG1 THR A 110 18.514 66.124 30.082 1.0 0.0 O
ATOM 1770 CG2 THR A 110 17.091 64.300 29.378 1.0 0.0 C
ATOM 1771 C THR A 110 20.577 64.400 30.963 1.0 0.0 C
ATOM 1772 O THR A 110 21.056 65.271 30.232 1.0 0.0 O
ATOM 1773 H THR A 110 17.508 63.566 31.756 1.0 0.0 H
ATOM 1774 HA THR A 110 19.471 62.924 30.570 1.0 0.0 H
ATOM 1775 HB THR A 110 19.234 64.913 28.955 1.0 0.0 H
ATOM 1776 HG1 THR A 110 18.082 66.701 29.389 1.0 0.0 H
ATOM 1777 HG21 THR A 110 16.659 64.877 28.685 1.0 0.0 H
ATOM 1778 HG22 THR A 110 16.300 64.363 29.986 1.0 0.0 H
ATOM 1779 HG23 THR A 110 16.780 63.459 28.934 1.0 0.0 H
ATOM 1780 N GLU A 111 21.232 63.905 32.015 1.0 0.0 N
ATOM 1781 CA GLU A 111 22.632 64.256 32.233 1.0 0.0 C
ATOM 1782 CB GLU A 111 23.088 64.062 33.687 1.0 0.0 C
ATOM 1783 CG GLU A 111 23.249 62.641 34.201 1.0 0.0 C
ATOM 1784 CD GLU A 111 23.640 62.629 35.679 1.0 0.0 C
ATOM 1785 OE1 GLU A 111 22.924 62.018 36.509 1.0 0.0 O
ATOM 1786 OE2 GLU A 111 24.663 63.258 36.030 1.0 0.0 O
ATOM 1787 C GLU A 111 23.433 63.454 31.215 1.0 0.0 C
ATOM 1788 O GLU A 111 24.404 63.958 30.643 1.0 0.0 O
ATOM 1789 H GLU A 111 20.706 64.431 32.683 1.0 0.0 H
ATOM 1790 HA GLU A 111 22.677 65.019 31.589 1.0 0.0 H
ATOM 1791 HB2 GLU A 111 23.669 64.843 33.459 1.0 0.0 H
ATOM 1792 HB3 GLU A 111 22.825 65.026 33.714 1.0 0.0 H
ATOM 1793 HG2 GLU A 111 22.392 62.361 33.768 1.0 0.0 H
ATOM 1794 HG3 GLU A 111 23.350 62.281 33.273 1.0 0.0 H
ATOM 1795 N ASN A 112 22.993 62.221 30.963 1.0 0.0 N
ATOM 1796 CA ASN A 112 23.327 61.521 29.722 1.0 0.0 C
ATOM 1797 CB ASN A 112 23.699 60.067 29.993 1.0 0.0 C
ATOM 1798 CG ASN A 112 24.160 59.336 28.744 1.0 0.0 C
ATOM 1799 OD1 ASN A 112 23.958 59.792 27.620 1.0 0.0 O
ATOM 1800 ND2 ASN A 112 24.771 58.181 28.943 1.0 0.0 N
ATOM 1801 C ASN A 112 22.102 61.602 28.813 1.0 0.0 C
ATOM 1802 O ASN A 112 21.072 60.990 29.104 1.0 0.0 O
ATOM 1803 H ASN A 112 22.749 63.174 30.785 1.0 0.0 H
ATOM 1804 HA ASN A 112 23.823 62.200 29.181 1.0 0.0 H
ATOM 1805 HB2 ASN A 112 24.196 60.357 30.811 1.0 0.0 H
ATOM 1806 HB3 ASN A 112 23.183 60.109 30.849 1.0 0.0 H
ATOM 1807 HD21 ASN A 112 24.935 57.810 29.857 1.0 0.0 H
ATOM 1808 HD22 ASN A 112 25.081 57.658 28.149 1.0 0.0 H
ATOM 1809 N PRO A 113 22.201 62.372 27.715 1.0 0.0 N
ATOM 1810 CA PRO A 113 21.019 62.692 26.908 1.0 0.0 C
ATOM 1811 CB PRO A 113 21.491 63.867 26.053 1.0 0.0 C
ATOM 1812 CG PRO A 113 22.954 63.659 25.921 1.0 0.0 C
ATOM 1813 CD PRO A 113 23.411 63.035 27.204 1.0 0.0 C
ATOM 1814 C PRO A 113 20.500 61.553 26.025 1.0 0.0 C
ATOM 1815 O PRO A 113 19.440 61.705 25.419 1.0 0.0 O
ATOM 1816 HA PRO A 113 20.223 62.636 27.511 1.0 0.0 H
ATOM 1817 HB2 PRO A 113 20.934 63.751 25.230 1.0 0.0 H
ATOM 1818 HB3 PRO A 113 20.882 64.642 26.221 1.0 0.0 H
ATOM 1819 HG2 PRO A 113 22.953 63.144 25.064 1.0 0.0 H
ATOM 1820 HG3 PRO A 113 23.218 64.354 25.252 1.0 0.0 H
ATOM 1821 HD2 PRO A 113 24.145 62.428 26.901 1.0 0.0 H
ATOM 1822 HD3 PRO A 113 24.132 63.587 27.622 1.0 0.0 H
ATOM 1823 N GLU A 114 21.227 60.437 25.949 1.0 0.0 N
ATOM 1824 CA GLU A 114 20.737 59.244 25.238 1.0 0.0 C
ATOM 1825 CB GLU A 114 21.614 58.925 24.021 1.0 0.0 C
ATOM 1826 CG GLU A 114 23.118 59.041 24.244 1.0 0.0 C
ATOM 1827 CD GLU A 114 23.916 58.921 22.948 1.0 0.0 C
ATOM 1828 OE1 GLU A 114 23.478 59.477 21.906 1.0 0.0 O
ATOM 1829 OE2 GLU A 114 24.993 58.279 22.972 1.0 0.0 O
ATOM 1830 C GLU A 114 20.569 58.023 26.161 1.0 0.0 C
ATOM 1831 O GLU A 114 20.294 56.925 25.689 1.0 0.0 O
ATOM 1832 H GLU A 114 21.336 61.230 25.350 1.0 0.0 H
ATOM 1833 HA GLU A 114 19.757 59.434 25.303 1.0 0.0 H
ATOM 1834 HB2 GLU A 114 20.974 58.174 23.862 1.0 0.0 H
ATOM 1835 HB3 GLU A 114 20.762 59.040 23.511 1.0 0.0 H
ATOM 1836 HG2 GLU A 114 22.956 59.817 24.854 1.0 0.0 H
ATOM 1837 HG3 GLU A 114 22.975 58.843 25.214 1.0 0.0 H
ATOM 1838 N ALA A 115 20.715 58.238 27.470 1.0 0.0 N
ATOM 1839 CA ALA A 115 20.386 57.243 28.494 1.0 0.0 C
ATOM 1840 CB ALA A 115 21.641 56.533 28.973 1.0 0.0 C
ATOM 1841 C ALA A 115 19.682 57.957 29.658 1.0 0.0 C
ATOM 1842 O ALA A 115 20.238 58.084 30.769 1.0 0.0 O
ATOM 1843 H ALA A 115 19.889 58.705 27.155 1.0 0.0 H
ATOM 1844 HA ALA A 115 19.527 56.847 28.171 1.0 0.0 H
ATOM 1845 HB1 ALA A 115 22.099 56.068 28.215 1.0 0.0 H
ATOM 1846 HB2 ALA A 115 21.720 55.728 29.561 1.0 0.0 H
ATOM 1847 HB3 ALA A 115 22.500 56.929 29.296 1.0 0.0 H
ATOM 1848 N PRO A 116 18.460 58.447 29.404 1.0 0.0 N
ATOM 1849 CA PRO A 116 17.761 59.219 30.412 1.0 0.0 C
ATOM 1850 CB PRO A 116 16.570 59.800 29.641 1.0 0.0 C
ATOM 1851 CG PRO A 116 16.304 58.808 28.570 1.0 0.0 C
ATOM 1852 CD PRO A 116 17.642 58.245 28.197 1.0 0.0 C
ATOM 1853 C PRO A 116 17.299 58.324 31.547 1.0 0.0 C
ATOM 1854 O PRO A 116 16.651 57.309 31.300 1.0 0.0 O
ATOM 1855 HA PRO A 116 18.418 59.675 31.012 1.0 0.0 H
ATOM 1856 HB2 PRO A 116 15.890 59.889 30.369 1.0 0.0 H
ATOM 1857 HB3 PRO A 116 16.610 60.796 29.717 1.0 0.0 H
ATOM 1858 HG2 PRO A 116 15.632 58.236 29.040 1.0 0.0 H
ATOM 1859 HG3 PRO A 116 15.458 59.124 28.141 1.0 0.0 H
ATOM 1860 HD2 PRO A 116 17.415 57.299 27.966 1.0 0.0 H
ATOM 1861 HD3 PRO A 116 17.791 58.361 27.215 1.0 0.0 H
ATOM 1862 N LYS A 117 17.613 58.706 32.779 1.0 0.0 N
ATOM 1863 CA LYS A 117 17.254 57.902 33.942 1.0 0.0 C
ATOM 1864 CB LYS A 117 18.476 57.696 34.846 1.0 0.0 C
ATOM 1865 CG LYS A 117 18.886 58.910 35.676 1.0 0.0 C
ATOM 1866 CD LYS A 117 20.343 58.839 36.128 1.0 0.0 C
ATOM 1867 CE LYS A 117 21.281 59.645 35.229 1.0 0.0 C
ATOM 1868 NZ LYS A 117 21.160 59.419 33.744 1.0 0.0 N
ATOM 1869 C LYS A 117 16.124 58.555 34.726 1.0 0.0 C
ATOM 1870 O LYS A 117 15.974 59.763 34.698 1.0 0.0 O
ATOM 1871 H LYS A 117 18.355 58.277 32.264 1.0 0.0 H
ATOM 1872 HA LYS A 117 16.647 57.207 33.556 1.0 0.0 H
ATOM 1873 HB2 LYS A 117 18.078 56.801 35.049 1.0 0.0 H
ATOM 1874 HB3 LYS A 117 18.643 56.895 34.271 1.0 0.0 H
ATOM 1875 HG2 LYS A 117 18.431 59.510 35.018 1.0 0.0 H
ATOM 1876 HG3 LYS A 117 17.922 59.115 35.844 1.0 0.0 H
ATOM 1877 HD2 LYS A 117 20.042 58.979 37.071 1.0 0.0 H
ATOM 1878 HD3 LYS A 117 20.116 58.029 36.669 1.0 0.0 H
ATOM 1879 HE2 LYS A 117 21.080 60.388 35.867 1.0 0.0 H
ATOM 1880 HE3 LYS A 117 21.769 59.785 36.091 1.0 0.0 H
ATOM 1881 HZ1 LYS A 117 21.773 59.946 33.156 1.0 0.0 H
ATOM 1882 HZ2 LYS A 117 20.484 59.616 33.034 1.0 0.0 H
ATOM 1883 HZ3 LYS A 117 21.361 58.676 33.106 1.0 0.0 H
ATOM 1884 N PRO A 118 15.308 57.750 35.413 1.0 0.0 N
ATOM 1885 CA PRO A 118 14.380 58.336 36.372 1.0 0.0 C
ATOM 1886 CB PRO A 118 13.575 57.136 36.872 1.0 0.0 C
ATOM 1887 CG PRO A 118 14.400 55.941 36.559 1.0 0.0 C
ATOM 1888 CD PRO A 118 15.157 56.287 35.317 1.0 0.0 C
ATOM 1889 C PRO A 118 15.127 59.011 37.526 1.0 0.0 C
ATOM 1890 O PRO A 118 16.179 58.522 37.957 1.0 0.0 O
ATOM 1891 HA PRO A 118 14.051 59.215 36.028 1.0 0.0 H
ATOM 1892 HB2 PRO A 118 13.439 57.409 37.824 1.0 0.0 H
ATOM 1893 HB3 PRO A 118 12.620 57.430 36.830 1.0 0.0 H
ATOM 1894 HG2 PRO A 118 14.885 55.842 37.428 1.0 0.0 H
ATOM 1895 HG3 PRO A 118 13.898 55.174 36.959 1.0 0.0 H
ATOM 1896 HD2 PRO A 118 16.004 55.764 35.417 1.0 0.0 H
ATOM 1897 HD3 PRO A 118 14.926 55.668 34.567 1.0 0.0 H
ATOM 1898 N VAL A 119 14.587 60.129 38.002 1.0 0.0 N
ATOM 1899 CA VAL A 119 15.282 60.988 38.954 1.0 0.0 C
ATOM 1900 CB VAL A 119 15.895 62.204 38.238 1.0 0.0 C
ATOM 1901 CG1 VAL A 119 16.224 63.330 39.216 1.0 0.0 C
ATOM 1902 CG2 VAL A 119 17.143 61.780 37.485 1.0 0.0 C
ATOM 1903 C VAL A 119 14.343 61.483 40.041 1.0 0.0 C
ATOM 1904 O VAL A 119 13.378 62.210 39.750 1.0 0.0 O
ATOM 1905 H VAL A 119 15.205 59.803 37.287 1.0 0.0 H
ATOM 1906 HA VAL A 119 15.768 60.351 39.552 1.0 0.0 H
ATOM 1907 HB VAL A 119 15.023 62.492 37.843 1.0 0.0 H
ATOM 1908 HG11 VAL A 119 16.622 64.120 38.751 1.0 0.0 H
ATOM 1909 HG12 VAL A 119 16.923 63.383 39.929 1.0 0.0 H
ATOM 1910 HG13 VAL A 119 15.618 63.929 39.739 1.0 0.0 H
ATOM 1911 HG21 VAL A 119 17.541 62.570 37.020 1.0 0.0 H
ATOM 1912 HG22 VAL A 119 17.188 61.198 36.673 1.0 0.0 H
ATOM 1913 HG23 VAL A 119 18.015 61.492 37.880 1.0 0.0 H
ATOM 1914 N CYS A 120 14.649 61.105 41.290 1.0 0.0 N
ATOM 1915 CA CYS A 120 13.848 61.489 42.456 1.0 0.0 C
ATOM 1916 CB CYS A 120 13.277 60.251 43.126 1.0 0.0 C
ATOM 1917 SG CYS A 120 12.122 59.356 42.079 1.0 0.0 S
ATOM 1918 C CYS A 120 14.651 62.284 43.480 1.0 0.0 C
ATOM 1919 O CYS A 120 15.817 61.974 43.744 1.0 0.0 O
ATOM 1920 H CYS A 120 14.122 60.584 40.618 1.0 0.0 H
ATOM 1921 HA CYS A 120 13.325 62.278 42.135 1.0 0.0 H
ATOM 1922 HB2 CYS A 120 14.207 60.142 43.478 1.0 0.0 H
ATOM 1923 HB3 CYS A 120 13.713 60.650 43.933 1.0 0.0 H
ATOM 1924 HG CYS A 120 11.746 58.541 42.520 1.0 0.0 H
ATOM 1925 N GLY A 121 14.012 63.291 44.075 1.0 0.0 N
ATOM 1926 CA GLY A 121 14.642 64.090 45.127 1.0 0.0 C
ATOM 1927 C GLY A 121 13.677 65.035 45.815 1.0 0.0 C
ATOM 1928 O GLY A 121 12.468 64.999 45.564 1.0 0.0 O
ATOM 1929 H GLY A 121 14.649 62.668 43.621 1.0 0.0 H
ATOM 1930 HA2 GLY A 121 15.111 63.267 45.446 1.0 0.0 H
ATOM 1931 HA3 GLY A 121 15.532 63.877 44.723 1.0 0.0 H
ATOM 1932 N TYR A 122 14.216 65.893 46.677 1.0 0.0 N
ATOM 1933 CA TYR A 122 13.401 66.844 47.445 1.0 0.0 C
ATOM 1934 CB TYR A 122 13.737 66.766 48.943 1.0 0.0 C
ATOM 1935 CG TYR A 122 13.144 65.556 49.621 1.0 0.0 C
ATOM 1936 CD1 TYR A 122 11.843 65.582 50.108 1.0 0.0 C
ATOM 1937 CE1 TYR A 122 11.282 64.470 50.713 1.0 0.0 C
ATOM 1938 CZ TYR A 122 12.028 63.308 50.830 1.0 0.0 C
ATOM 1939 OH TYR A 122 11.465 62.207 51.432 1.0 0.0 O
ATOM 1940 CE2 TYR A 122 13.325 63.260 50.354 1.0 0.0 C
ATOM 1941 CD2 TYR A 122 13.873 64.378 49.747 1.0 0.0 C
ATOM 1942 C TYR A 122 13.538 68.282 46.946 1.0 0.0 C
ATOM 1943 O TYR A 122 14.607 68.707 46.506 1.0 0.0 O
ATOM 1944 H TYR A 122 14.126 64.952 47.004 1.0 0.0 H
ATOM 1945 HA TYR A 122 12.512 66.728 47.002 1.0 0.0 H
ATOM 1946 HB2 TYR A 122 14.682 67.011 48.728 1.0 0.0 H
ATOM 1947 HB3 TYR A 122 13.965 67.740 48.922 1.0 0.0 H
ATOM 1948 HD1 TYR A 122 11.302 66.419 50.020 1.0 0.0 H
ATOM 1949 HE1 TYR A 122 10.346 64.505 51.063 1.0 0.0 H
ATOM 1950 HH TYR A 122 10.527 62.242 51.776 1.0 0.0 H
ATOM 1951 HE2 TYR A 122 13.864 62.423 50.447 1.0 0.0 H
ATOM 1952 HD2 TYR A 122 14.808 64.338 49.394 1.0 0.0 H
ATOM 1953 N TYR A 123 12.431 69.013 47.017 1.0 0.0 N
ATOM 1954 CA TYR A 123 12.407 70.434 46.702 1.0 0.0 C
ATOM 1955 CB TYR A 123 12.029 70.678 45.232 1.0 0.0 C
ATOM 1956 CG TYR A 123 10.561 70.446 44.861 1.0 0.0 C
ATOM 1957 CD1 TYR A 123 9.974 69.187 44.981 1.0 0.0 C
ATOM 1958 CE1 TYR A 123 8.650 68.976 44.630 1.0 0.0 C
ATOM 1959 CZ TYR A 123 7.889 70.025 44.138 1.0 0.0 C
ATOM 1960 OH TYR A 123 6.569 69.811 43.801 1.0 0.0 O
ATOM 1961 CE2 TYR A 123 8.449 71.284 43.994 1.0 0.0 C
ATOM 1962 CD2 TYR A 123 9.777 71.487 44.348 1.0 0.0 C
ATOM 1963 C TYR A 123 11.429 71.129 47.638 1.0 0.0 C
ATOM 1964 O TYR A 123 10.619 70.471 48.299 1.0 0.0 O
ATOM 1965 H TYR A 123 13.074 68.556 46.402 1.0 0.0 H
ATOM 1966 HA TYR A 123 13.190 70.777 47.221 1.0 0.0 H
ATOM 1967 HB2 TYR A 123 12.641 71.465 45.314 1.0 0.0 H
ATOM 1968 HB3 TYR A 123 13.020 70.637 45.107 1.0 0.0 H
ATOM 1969 HD1 TYR A 123 10.518 68.422 45.327 1.0 0.0 H
ATOM 1970 HE1 TYR A 123 8.244 68.068 44.732 1.0 0.0 H
ATOM 1971 HH TYR A 123 6.165 68.902 43.905 1.0 0.0 H
ATOM 1972 HE2 TYR A 123 7.901 72.041 43.638 1.0 0.0 H
ATOM 1973 HD2 TYR A 123 10.181 72.395 44.234 1.0 0.0 H
ATOM 1974 N HIS A 124 11.519 72.453 47.704 1.0 0.0 N
ATOM 1975 CA HIS A 124 10.595 73.229 48.520 1.0 0.0 C
ATOM 1976 CB HIS A 124 11.361 74.185 49.424 1.0 0.0 C
ATOM 1977 CG HIS A 124 12.237 73.489 50.417 1.0 0.0 C
ATOM 1978 ND1 HIS A 124 13.614 73.515 50.343 1.0 0.0 N
ATOM 1979 CE1 HIS A 124 14.119 72.810 51.341 1.0 0.0 C
ATOM 1980 NE2 HIS A 124 13.120 72.322 52.056 1.0 0.0 N
ATOM 1981 CD2 HIS A 124 11.931 72.728 51.497 1.0 0.0 C
ATOM 1982 C HIS A 124 9.596 73.958 47.625 1.0 0.0 C
ATOM 1983 O HIS A 124 9.830 74.088 46.425 1.0 0.0 O
ATOM 1984 H HIS A 124 12.173 71.975 48.290 1.0 0.0 H
ATOM 1985 HA HIS A 124 9.903 72.540 48.736 1.0 0.0 H
ATOM 1986 HB2 HIS A 124 11.578 74.743 48.623 1.0 0.0 H
ATOM 1987 HB3 HIS A 124 10.709 74.903 49.181 1.0 0.0 H
ATOM 1988 HE1 HIS A 124 15.092 72.670 51.524 1.0 0.0 H
ATOM 1989 HE2 HIS A 124 13.214 71.750 52.871 1.0 0.0 H
ATOM 1990 HD2 HIS A 124 11.013 72.504 51.825 1.0 0.0 H
ATOM 1991 N TRP A 125 8.483 74.410 48.211 1.0 0.0 N
ATOM 1992 CA TRP A 125 7.321 74.871 47.442 1.0 0.0 C
ATOM 1993 CB TRP A 125 6.251 73.776 47.464 1.0 0.0 C
ATOM 1994 CG TRP A 125 5.336 73.838 46.300 1.0 0.0 C
ATOM 1995 CD1 TRP A 125 5.690 73.913 44.972 1.0 0.0 C
ATOM 1996 NE1 TRP A 125 4.565 73.944 44.184 1.0 0.0 N
ATOM 1997 CE2 TRP A 125 3.456 73.884 44.992 1.0 0.0 C
ATOM 1998 CD2 TRP A 125 3.906 73.813 46.333 1.0 0.0 C
ATOM 1999 CE3 TRP A 125 2.956 73.737 47.363 1.0 0.0 C
ATOM 2000 CZ3 TRP A 125 1.602 73.738 47.028 1.0 0.0 C
ATOM 2001 CH2 TRP A 125 1.188 73.811 45.685 1.0 0.0 C
ATOM 2002 CZ2 TRP A 125 2.096 73.883 44.657 1.0 0.0 C
ATOM 2003 C TRP A 125 6.728 76.197 47.933 1.0 0.0 C
ATOM 2004 O TRP A 125 6.128 76.950 47.157 1.0 0.0 O
ATOM 2005 H TRP A 125 8.870 73.545 47.891 1.0 0.0 H
ATOM 2006 HA TRP A 125 7.746 75.298 46.644 1.0 0.0 H
ATOM 2007 HB2 TRP A 125 6.947 73.102 47.711 1.0 0.0 H
ATOM 2008 HB3 TRP A 125 6.399 73.653 48.445 1.0 0.0 H
ATOM 2009 HD1 TRP A 125 6.629 73.941 44.630 1.0 0.0 H
ATOM 2010 HE1 TRP A 125 4.555 74.001 43.186 1.0 0.0 H
ATOM 2011 HE3 TRP A 125 3.244 73.683 48.319 1.0 0.0 H
ATOM 2012 HZ3 TRP A 125 0.915 73.686 47.753 1.0 0.0 H
ATOM 2013 HH2 TRP A 125 0.210 73.810 45.474 1.0 0.0 H
ATOM 2014 HZ2 TRP A 125 1.797 73.933 43.704 1.0 0.0 H
ATOM 2015 N GLU A 126 7.442 77.275 51.019 1.0 0.0 N
ATOM 2016 CA GLU A 126 8.633 76.560 51.487 1.0 0.0 C
ATOM 2017 CB GLU A 126 9.352 77.377 52.572 1.0 0.0 C
ATOM 2018 CG GLU A 126 10.150 78.561 52.037 1.0 0.0 C
ATOM 2019 CD GLU A 126 11.361 78.143 51.208 1.0 0.0 C
ATOM 2020 OE1 GLU A 126 12.470 78.065 51.781 1.0 0.0 O
ATOM 2021 OE2 GLU A 126 11.208 77.884 49.986 1.0 0.0 O
ATOM 2022 C GLU A 126 8.351 75.135 51.992 1.0 0.0 C
ATOM 2023 O GLU A 126 9.147 74.558 52.739 1.0 0.0 O
ATOM 2024 H GLU A 126 7.625 78.202 50.691 1.0 0.0 H
ATOM 2025 HA GLU A 126 8.998 76.227 50.618 1.0 0.0 H
ATOM 2026 HB2 GLU A 126 8.517 77.298 53.116 1.0 0.0 H
ATOM 2027 HB3 GLU A 126 9.213 76.587 53.169 1.0 0.0 H
ATOM 2028 HG2 GLU A 126 9.287 79.002 51.790 1.0 0.0 H
ATOM 2029 HG3 GLU A 126 9.698 79.135 52.720 1.0 0.0 H
ATOM 2030 N ILE A 127 7.228 74.570 51.554 1.0 0.0 N
ATOM 2031 CA ILE A 127 6.860 73.187 51.865 1.0 0.0 C
ATOM 2032 CB ILE A 127 5.453 72.828 51.317 1.0 0.0 C
ATOM 2033 CG1 ILE A 127 4.360 73.592 52.070 1.0 0.0 C
ATOM 2034 CD1 ILE A 127 2.981 73.421 51.466 1.0 0.0 C
ATOM 2035 CG2 ILE A 127 5.182 71.324 51.413 1.0 0.0 C
ATOM 2036 C ILE A 127 7.841 72.229 51.207 1.0 0.0 C
ATOM 2037 O ILE A 127 8.037 72.301 49.995 1.0 0.0 O
ATOM 2038 H ILE A 127 6.583 75.200 51.987 1.0 0.0 H
ATOM 2039 HA ILE A 127 7.135 73.017 52.811 1.0 0.0 H
ATOM 2040 HB ILE A 127 5.762 72.934 50.372 1.0 0.0 H
ATOM 2041 HG12 ILE A 127 4.762 73.272 52.928 1.0 0.0 H
ATOM 2042 HG13 ILE A 127 5.081 74.145 52.488 1.0 0.0 H
ATOM 2043 HD11 ILE A 127 2.267 73.920 51.958 1.0 0.0 H
ATOM 2044 HD12 ILE A 127 2.362 72.637 51.414 1.0 0.0 H
ATOM 2045 HD13 ILE A 127 2.579 73.741 50.608 1.0 0.0 H
ATOM 2046 HG21 ILE A 127 4.275 71.093 51.060 1.0 0.0 H
ATOM 2047 HG22 ILE A 127 5.035 70.749 52.218 1.0 0.0 H
ATOM 2048 HG23 ILE A 127 5.592 70.565 50.907 1.0 0.0 H
ATOM 2049 N PRO A 128 8.426 71.303 51.989 1.0 0.0 N
ATOM 2050 CA PRO A 128 9.262 70.295 51.366 1.0 0.0 C
ATOM 2051 CB PRO A 128 10.031 69.705 52.550 1.0 0.0 C
ATOM 2052 CG PRO A 128 9.086 69.823 53.696 1.0 0.0 C
ATOM 2053 CD PRO A 128 8.190 71.005 53.416 1.0 0.0 C
ATOM 2054 C PRO A 128 8.400 69.226 50.690 1.0 0.0 C
ATOM 2055 O PRO A 128 7.529 68.621 51.344 1.0 0.0 O
ATOM 2056 HA PRO A 128 9.612 70.616 50.486 1.0 0.0 H
ATOM 2057 HB2 PRO A 128 10.235 68.785 52.214 1.0 0.0 H
ATOM 2058 HB3 PRO A 128 11.007 69.854 52.394 1.0 0.0 H
ATOM 2059 HG2 PRO A 128 8.757 68.879 53.686 1.0 0.0 H
ATOM 2060 HG3 PRO A 128 9.606 69.363 54.415 1.0 0.0 H
ATOM 2061 HD2 PRO A 128 7.290 70.643 53.657 1.0 0.0 H
ATOM 2062 HD3 PRO A 128 8.093 71.546 54.251 1.0 0.0 H
ATOM 2063 N LYS A 129 8.657 68.996 49.402 1.0 0.0 N
ATOM 2064 CA LYS A 129 7.983 67.948 48.658 1.0 0.0 C
ATOM 2065 CB LYS A 129 7.099 68.570 47.581 1.0 0.0 C
ATOM 2066 CG LYS A 129 5.835 69.206 48.122 1.0 0.0 C
ATOM 2067 CD LYS A 129 4.946 69.749 47.009 1.0 0.0 C
ATOM 2068 CE LYS A 129 3.545 70.064 47.524 1.0 0.0 C
ATOM 2069 NZ LYS A 129 2.599 70.520 46.475 1.0 0.0 N
ATOM 2070 C LYS A 129 8.995 66.979 48.036 1.0 0.0 C
ATOM 2071 O LYS A 129 10.099 67.367 47.652 1.0 0.0 O
ATOM 2072 H LYS A 129 7.997 69.628 49.808 1.0 0.0 H
ATOM 2073 HA LYS A 129 7.733 67.290 49.369 1.0 0.0 H
ATOM 2074 HB2 LYS A 129 7.926 68.951 47.169 1.0 0.0 H
ATOM 2075 HB3 LYS A 129 7.601 68.021 46.913 1.0 0.0 H
ATOM 2076 HG2 LYS A 129 5.703 68.431 48.740 1.0 0.0 H
ATOM 2077 HG3 LYS A 129 6.255 69.288 49.026 1.0 0.0 H
ATOM 2078 HD2 LYS A 129 5.667 70.372 46.705 1.0 0.0 H
ATOM 2079 HD3 LYS A 129 5.547 69.376 46.302 1.0 0.0 H
ATOM 2080 HE2 LYS A 129 3.594 69.229 48.071 1.0 0.0 H
ATOM 2081 HE3 LYS A 129 3.942 70.127 48.439 1.0 0.0 H
ATOM 2082 HZ1 LYS A 129 1.681 70.726 46.813 1.0 0.0 H
ATOM 2083 HZ2 LYS A 129 2.173 70.052 45.701 1.0 0.0 H
ATOM 2084 HZ3 LYS A 129 2.550 71.355 45.928 1.0 0.0 H
ATOM 2085 N TYR A 130 8.608 65.711 47.936 1.0 0.0 N
ATOM 2086 CA TYR A 130 9.409 64.712 47.224 1.0 0.0 C
ATOM 2087 CB TYR A 130 9.300 63.359 47.911 1.0 0.0 C
ATOM 2088 CG TYR A 130 10.235 62.283 47.385 1.0 0.0 C
ATOM 2089 CD1 TYR A 130 11.616 62.465 47.364 1.0 0.0 C
ATOM 2090 CE1 TYR A 130 12.465 61.469 46.912 1.0 0.0 C
ATOM 2091 CZ TYR A 130 11.941 60.274 46.480 1.0 0.0 C
ATOM 2092 OH TYR A 130 12.759 59.275 46.023 1.0 0.0 O
ATOM 2093 CE2 TYR A 130 10.579 60.068 46.493 1.0 0.0 C
ATOM 2094 CD2 TYR A 130 9.735 61.066 46.951 1.0 0.0 C
ATOM 2095 C TYR A 130 8.887 64.596 45.802 1.0 0.0 C
ATOM 2096 O TYR A 130 7.675 64.469 45.583 1.0 0.0 O
ATOM 2097 H TYR A 130 8.952 65.787 48.872 1.0 0.0 H
ATOM 2098 HA TYR A 130 10.254 65.175 46.955 1.0 0.0 H
ATOM 2099 HB2 TYR A 130 9.231 63.882 48.760 1.0 0.0 H
ATOM 2100 HB3 TYR A 130 8.427 63.711 48.248 1.0 0.0 H
ATOM 2101 HD1 TYR A 130 12.001 63.331 47.681 1.0 0.0 H
ATOM 2102 HE1 TYR A 130 13.454 61.618 46.900 1.0 0.0 H
ATOM 2103 HH TYR A 130 13.748 59.425 46.014 1.0 0.0 H
ATOM 2104 HE2 TYR A 130 10.200 59.200 46.172 1.0 0.0 H
ATOM 2105 HD2 TYR A 130 8.748 60.905 46.969 1.0 0.0 H
ATOM 2106 N LEU A 131 9.799 64.608 44.840 1.0 0.0 N
ATOM 2107 CA LEU A 131 9.424 64.672 43.438 1.0 0.0 C
ATOM 2108 CB LEU A 131 9.792 66.046 42.904 1.0 0.0 C
ATOM 2109 CG LEU A 131 9.780 66.274 41.396 1.0 0.0 C
ATOM 2110 CD1 LEU A 131 9.495 67.741 41.119 1.0 0.0 C
ATOM 2111 CD2 LEU A 131 11.091 65.846 40.742 1.0 0.0 C
ATOM 2112 C LEU A 131 10.122 63.585 42.640 1.0 0.0 C
ATOM 2113 O LEU A 131 11.304 63.313 42.858 1.0 0.0 O
ATOM 2114 H LEU A 131 9.339 65.324 45.366 1.0 0.0 H
ATOM 2115 HA LEU A 131 8.542 64.203 43.388 1.0 0.0 H
ATOM 2116 HB2 LEU A 131 9.277 66.321 43.716 1.0 0.0 H
ATOM 2117 HB3 LEU A 131 10.118 66.107 43.847 1.0 0.0 H
ATOM 2118 HG LEU A 131 8.864 65.877 41.338 1.0 0.0 H
ATOM 2119 HD11 LEU A 131 9.487 67.890 40.130 1.0 0.0 H
ATOM 2120 HD12 LEU A 131 10.110 68.505 41.311 1.0 0.0 H
ATOM 2121 HD13 LEU A 131 8.627 68.211 41.278 1.0 0.0 H
ATOM 2122 HD21 LEU A 131 11.279 64.881 40.924 1.0 0.0 H
ATOM 2123 HD22 LEU A 131 12.025 66.111 40.982 1.0 0.0 H
ATOM 2124 HD23 LEU A 131 11.300 65.741 39.770 1.0 0.0 H
ATOM 2125 N CYS A 132 9.384 62.984 41.708 1.0 0.0 N
ATOM 2126 CA CYS A 132 9.943 61.976 40.807 1.0 0.0 C
ATOM 2127 CB CYS A 132 9.465 60.579 41.184 1.0 0.0 C
ATOM 2128 SG CYS A 132 10.263 59.982 42.697 1.0 0.0 S
ATOM 2129 C CYS A 132 9.599 62.251 39.358 1.0 0.0 C
ATOM 2130 O CYS A 132 8.558 62.820 39.052 1.0 0.0 O
ATOM 2131 H CYS A 132 9.611 62.802 42.665 1.0 0.0 H
ATOM 2132 HA CYS A 132 10.892 62.277 40.712 1.0 0.0 H
ATOM 2133 HB2 CYS A 132 8.558 60.902 40.915 1.0 0.0 H
ATOM 2134 HB3 CYS A 132 9.051 60.585 40.274 1.0 0.0 H
ATOM 2135 HG CYS A 132 9.949 59.065 42.944 1.0 0.0 H
ATOM 2136 N HIS A 133 10.504 61.841 38.477 1.0 0.0 N
ATOM 2137 CA HIS A 133 10.308 61.940 37.040 1.0 0.0 C
ATOM 2138 CB HIS A 133 11.179 63.037 36.449 1.0 0.0 C
ATOM 2139 CG HIS A 133 10.579 64.401 36.544 1.0 0.0 C
ATOM 2140 ND1 HIS A 133 11.081 65.374 37.378 1.0 0.0 N
ATOM 2141 CE1 HIS A 133 10.356 66.471 37.251 1.0 0.0 C
ATOM 2142 NE2 HIS A 133 9.396 66.239 36.375 1.0 0.0 N
ATOM 2143 CD2 HIS A 133 9.511 64.950 35.918 1.0 0.0 C
ATOM 2144 C HIS A 133 10.697 60.636 36.412 1.0 0.0 C
ATOM 2145 O HIS A 133 11.756 60.093 36.710 1.0 0.0 O
ATOM 2146 H HIS A 133 10.244 62.711 38.896 1.0 0.0 H
ATOM 2147 HA HIS A 133 9.327 61.834 36.876 1.0 0.0 H
ATOM 2148 HB2 HIS A 133 11.967 62.617 36.900 1.0 0.0 H
ATOM 2149 HB3 HIS A 133 11.675 62.326 35.951 1.0 0.0 H
ATOM 2150 HE1 HIS A 133 10.509 67.332 37.736 1.0 0.0 H
ATOM 2151 HE2 HIS A 133 8.698 66.896 36.090 1.0 0.0 H
ATOM 2152 HD2 HIS A 133 8.918 64.501 35.249 1.0 0.0 H
ATOM 2153 N TYR A 134 9.844 60.133 35.543 1.0 0.0 N
ATOM 2154 CA TYR A 134 10.098 58.873 34.881 1.0 0.0 C
ATOM 2155 CB TYR A 134 9.108 57.812 35.355 1.0 0.0 C
ATOM 2156 CG TYR A 134 9.663 56.973 36.452 1.0 0.0 C
ATOM 2157 CD1 TYR A 134 9.717 57.455 37.756 1.0 0.0 C
ATOM 2158 CE1 TYR A 134 10.246 56.692 38.779 1.0 0.0 C
ATOM 2159 CZ TYR A 134 10.734 55.421 38.491 1.0 0.0 C
ATOM 2160 OH TYR A 134 11.280 54.639 39.492 1.0 0.0 O
ATOM 2161 CE2 TYR A 134 10.691 54.931 37.190 1.0 0.0 C
ATOM 2162 CD2 TYR A 134 10.160 55.710 36.185 1.0 0.0 C
ATOM 2163 C TYR A 134 10.023 59.041 33.371 1.0 0.0 C
ATOM 2164 O TYR A 134 8.938 59.233 32.816 1.0 0.0 O
ATOM 2165 H TYR A 134 9.893 60.023 36.536 1.0 0.0 H
ATOM 2166 HA TYR A 134 11.097 58.832 34.865 1.0 0.0 H
ATOM 2167 HB2 TYR A 134 8.371 58.488 35.375 1.0 0.0 H
ATOM 2168 HB3 TYR A 134 8.592 57.885 34.502 1.0 0.0 H
ATOM 2169 HD1 TYR A 134 9.367 58.370 37.956 1.0 0.0 H
ATOM 2170 HE1 TYR A 134 10.278 57.048 39.713 1.0 0.0 H
ATOM 2171 HH TYR A 134 11.311 54.991 40.427 1.0 0.0 H
ATOM 2172 HE2 TYR A 134 11.044 54.018 36.985 1.0 0.0 H
ATOM 2173 HD2 TYR A 134 10.134 55.357 35.250 1.0 0.0 H
ATOM 2174 N PRO A 135 11.175 58.956 32.697 1.0 0.0 N
ATOM 2175 CA PRO A 135 11.181 59.170 31.272 1.0 0.0 C
ATOM 2176 CB PRO A 135 12.665 59.180 30.943 1.0 0.0 C
ATOM 2177 CG PRO A 135 13.272 58.260 31.939 1.0 0.0 C
ATOM 2178 CD PRO A 135 12.473 58.456 33.190 1.0 0.0 C
ATOM 2179 C PRO A 135 10.484 58.039 30.545 1.0 0.0 C
ATOM 2180 O PRO A 135 10.504 56.903 31.014 1.0 0.0 O
ATOM 2181 HA PRO A 135 10.483 59.833 31.002 1.0 0.0 H
ATOM 2182 HB2 PRO A 135 12.654 58.888 29.987 1.0 0.0 H
ATOM 2183 HB3 PRO A 135 12.883 60.070 30.543 1.0 0.0 H
ATOM 2184 HG2 PRO A 135 13.199 57.393 31.446 1.0 0.0 H
ATOM 2185 HG3 PRO A 135 14.227 58.151 31.664 1.0 0.0 H
ATOM 2186 HD2 PRO A 135 12.466 57.538 33.588 1.0 0.0 H
ATOM 2187 HD3 PRO A 135 13.075 58.702 33.950 1.0 0.0 H
ATOM 2188 N THR A 136 9.850 58.354 29.426 1.0 0.0 N
ATOM 2189 CA THR A 136 9.397 57.335 28.495 1.0 0.0 C
ATOM 2190 CB THR A 136 8.186 57.809 27.701 1.0 0.0 C
ATOM 2191 OG1 THR A 136 8.571 58.947 26.943 1.0 0.0 O
ATOM 2192 CG2 THR A 136 7.075 58.197 28.631 1.0 0.0 C
ATOM 2193 C THR A 136 10.531 57.109 27.517 1.0 0.0 C
ATOM 2194 O THR A 136 11.553 57.783 27.599 1.0 0.0 O
ATOM 2195 H THR A 136 9.101 58.503 30.072 1.0 0.0 H
ATOM 2196 HA THR A 136 9.460 56.443 28.942 1.0 0.0 H
ATOM 2197 HB THR A 136 8.094 57.202 26.911 1.0 0.0 H
ATOM 2198 HG1 THR A 136 7.776 59.258 26.422 1.0 0.0 H
ATOM 2199 HG21 THR A 136 6.280 58.508 28.110 1.0 0.0 H
ATOM 2200 HG22 THR A 136 7.049 58.982 29.250 1.0 0.0 H
ATOM 2201 HG23 THR A 136 6.531 57.591 29.211 1.0 0.0 H
ATOM 2202 N THR A 137 10.343 56.162 26.596 1.0 0.0 N
ATOM 2203 CA THR A 137 11.293 55.950 25.492 1.0 0.0 C
ATOM 2204 CB THR A 137 11.550 54.440 25.218 1.0 0.0 C
ATOM 2205 OG1 THR A 137 10.363 53.810 24.716 1.0 0.0 O
ATOM 2206 CG2 THR A 137 12.019 53.717 26.494 1.0 0.0 C
ATOM 2207 C THR A 137 10.826 56.634 24.210 1.0 0.0 C
ATOM 2208 O THR A 137 11.121 56.172 23.121 1.0 0.0 O
ATOM 2209 H THR A 137 10.649 55.714 27.436 1.0 0.0 H
ATOM 2210 HA THR A 137 11.966 56.663 25.687 1.0 0.0 H
ATOM 2211 HB THR A 137 11.997 54.445 24.323 1.0 0.0 H
ATOM 2212 HG1 THR A 137 10.528 52.840 24.540 1.0 0.0 H
ATOM 2213 HG21 THR A 137 12.184 52.747 26.318 1.0 0.0 H
ATOM 2214 HG22 THR A 137 11.512 53.502 27.329 1.0 0.0 H
ATOM 2215 HG23 THR A 137 12.883 53.797 26.992 1.0 0.0 H
ATOM 2216 N ILE A 138 10.080 57.719 24.359 1.0 0.0 N
ATOM 2217 CA ILE A 138 9.472 58.432 23.250 1.0 0.0 C
ATOM 2218 CB ILE A 138 7.958 58.626 23.479 1.0 0.0 C
ATOM 2219 CG1 ILE A 138 7.256 57.266 23.381 1.0 0.0 C
ATOM 2220 CD1 ILE A 138 5.761 57.325 23.132 1.0 0.0 C
ATOM 2221 CG2 ILE A 138 7.361 59.646 22.511 1.0 0.0 C
ATOM 2222 C ILE A 138 10.125 59.791 23.100 1.0 0.0 C
ATOM 2223 O ILE A 138 10.397 60.467 24.074 1.0 0.0 O
ATOM 2224 H ILE A 138 9.649 56.822 24.458 1.0 0.0 H
ATOM 2225 HA ILE A 138 9.906 58.052 22.433 1.0 0.0 H
ATOM 2226 HB ILE A 138 8.080 59.175 24.306 1.0 0.0 H
ATOM 2227 HG12 ILE A 138 8.049 56.977 22.844 1.0 0.0 H
ATOM 2228 HG13 ILE A 138 8.084 56.912 23.815 1.0 0.0 H
ATOM 2229 HD11 ILE A 138 5.303 56.438 23.068 1.0 0.0 H
ATOM 2230 HD12 ILE A 138 5.186 57.596 22.360 1.0 0.0 H
ATOM 2231 HD13 ILE A 138 4.968 57.614 23.669 1.0 0.0 H
ATOM 2232 HG21 ILE A 138 6.380 59.772 22.659 1.0 0.0 H
ATOM 2233 HG22 ILE A 138 7.212 59.594 21.523 1.0 0.0 H
ATOM 2234 HG23 ILE A 138 7.486 60.636 22.453 1.0 0.0 H
ATOM 2235 N LYS A 139 10.364 60.178 21.854 1.0 0.0 N
ATOM 2236 CA LYS A 139 10.856 61.501 21.536 1.0 0.0 C
ATOM 2237 CB LYS A 139 12.167 61.410 20.771 1.0 0.0 C
ATOM 2238 CG LYS A 139 13.352 61.061 21.643 1.0 0.0 C
ATOM 2239 CD LYS A 139 14.637 61.192 20.862 1.0 0.0 C
ATOM 2240 CE LYS A 139 15.827 60.881 21.741 1.0 0.0 C
ATOM 2241 NZ LYS A 139 17.091 61.260 21.064 1.0 0.0 N
ATOM 2242 C LYS A 139 9.817 62.252 20.716 1.0 0.0 C
ATOM 2243 O LYS A 139 8.999 61.648 20.019 1.0 0.0 O
ATOM 2244 H LYS A 139 11.047 59.685 22.393 1.0 0.0 H
ATOM 2245 HA LYS A 139 10.661 62.032 22.361 1.0 0.0 H
ATOM 2246 HB2 LYS A 139 11.684 60.903 20.057 1.0 0.0 H
ATOM 2247 HB3 LYS A 139 11.732 61.928 20.035 1.0 0.0 H
ATOM 2248 HG2 LYS A 139 13.031 61.635 22.396 1.0 0.0 H
ATOM 2249 HG3 LYS A 139 12.805 60.542 22.300 1.0 0.0 H
ATOM 2250 HD2 LYS A 139 14.280 60.658 20.096 1.0 0.0 H
ATOM 2251 HD3 LYS A 139 14.224 61.768 20.157 1.0 0.0 H
ATOM 2252 HE2 LYS A 139 15.415 61.310 22.545 1.0 0.0 H
ATOM 2253 HE3 LYS A 139 15.339 60.206 22.294 1.0 0.0 H
ATOM 2254 HZ1 LYS A 139 17.878 61.054 21.645 1.0 0.0 H
ATOM 2255 HZ2 LYS A 139 17.416 62.182 20.856 1.0 0.0 H
ATOM 2256 HZ3 LYS A 139 17.503 60.831 20.260 1.0 0.0 H
ATOM 2257 N VAL A 140 9.833 63.574 20.830 1.0 0.0 N
ATOM 2258 CA VAL A 140 8.951 64.421 20.044 1.0 0.0 C
ATOM 2259 CB VAL A 140 7.693 64.858 20.822 1.0 0.0 C
ATOM 2260 CG1 VAL A 140 6.890 63.647 21.260 1.0 0.0 C
ATOM 2261 CG2 VAL A 140 8.054 65.733 22.014 1.0 0.0 C
ATOM 2262 C VAL A 140 9.729 65.633 19.581 1.0 0.0 C
ATOM 2263 O VAL A 140 10.613 66.127 20.290 1.0 0.0 O
ATOM 2264 H VAL A 140 9.319 62.773 21.136 1.0 0.0 H
ATOM 2265 HA VAL A 140 9.008 63.989 19.144 1.0 0.0 H
ATOM 2266 HB VAL A 140 7.224 65.101 19.973 1.0 0.0 H
ATOM 2267 HG11 VAL A 140 6.074 63.930 21.764 1.0 0.0 H
ATOM 2268 HG12 VAL A 140 7.130 62.960 21.946 1.0 0.0 H
ATOM 2269 HG13 VAL A 140 6.371 63.010 20.690 1.0 0.0 H
ATOM 2270 HG21 VAL A 140 7.238 66.016 22.518 1.0 0.0 H
ATOM 2271 HG22 VAL A 140 8.417 66.665 22.033 1.0 0.0 H
ATOM 2272 HG23 VAL A 140 8.523 65.490 22.863 1.0 0.0 H
ATOM 2273 N TYR A 141 9.412 66.087 18.370 1.0 0.0 N
ATOM 2274 CA TYR A 141 10.096 67.225 17.773 1.0 0.0 C
ATOM 2275 CB TYR A 141 9.809 67.288 16.271 1.0 0.0 C
ATOM 2276 CG TYR A 141 10.513 68.421 15.546 1.0 0.0 C
ATOM 2277 CD1 TYR A 141 11.908 68.471 15.475 1.0 0.0 C
ATOM 2278 CE1 TYR A 141 12.563 69.501 14.811 1.0 0.0 C
ATOM 2279 CZ TYR A 141 11.820 70.493 14.209 1.0 0.0 C
ATOM 2280 OH TYR A 141 12.458 71.509 13.544 1.0 0.0 O
ATOM 2281 CE2 TYR A 141 10.438 70.464 14.261 1.0 0.0 C
ATOM 2282 CD2 TYR A 141 9.792 69.434 14.922 1.0 0.0 C
ATOM 2283 C TYR A 141 9.660 68.515 18.454 1.0 0.0 C
ATOM 2284 O TYR A 141 8.463 68.722 18.677 1.0 0.0 O
ATOM 2285 H TYR A 141 9.698 65.240 17.923 1.0 0.0 H
ATOM 2286 HA TYR A 141 10.981 67.231 18.239 1.0 0.0 H
ATOM 2287 HB2 TYR A 141 9.912 66.293 16.260 1.0 0.0 H
ATOM 2288 HB3 TYR A 141 9.023 66.700 16.462 1.0 0.0 H
ATOM 2289 HD1 TYR A 141 12.446 67.750 15.911 1.0 0.0 H
ATOM 2290 HE1 TYR A 141 13.562 69.522 14.771 1.0 0.0 H
ATOM 2291 HH TYR A 141 13.457 71.530 13.506 1.0 0.0 H
ATOM 2292 HE2 TYR A 141 9.906 71.187 13.821 1.0 0.0 H
ATOM 2293 HD2 TYR A 141 8.793 69.418 14.952 1.0 0.0 H
ATOM 2294 N ASP A 142 10.642 69.351 18.794 1.0 0.0 N
ATOM 2295 CA ASP A 142 10.388 70.679 19.299 1.0 0.0 C
ATOM 2296 CB ASP A 142 11.320 71.011 20.455 1.0 0.0 C
ATOM 2297 CG ASP A 142 11.029 72.380 21.063 1.0 0.0 C
ATOM 2298 OD1 ASP A 142 9.850 72.834 21.022 1.0 0.0 O
ATOM 2299 OD2 ASP A 142 11.981 73.001 21.602 1.0 0.0 O
ATOM 2300 C ASP A 142 10.638 71.651 18.166 1.0 0.0 C
ATOM 2301 O ASP A 142 11.786 71.877 17.807 1.0 0.0 O
ATOM 2302 H ASP A 142 10.029 69.133 18.034 1.0 0.0 H
ATOM 2303 HA ASP A 142 9.395 70.800 19.288 1.0 0.0 H
ATOM 2304 HB2 ASP A 142 11.190 70.088 20.818 1.0 0.0 H
ATOM 2305 HB3 ASP A 142 11.954 70.306 20.137 1.0 0.0 H
ATOM 2306 N PRO A 143 9.569 72.236 17.595 1.0 0.0 N
ATOM 2307 CA PRO A 143 9.710 73.196 16.494 1.0 0.0 C
ATOM 2308 CB PRO A 143 8.270 73.643 16.242 1.0 0.0 C
ATOM 2309 CG PRO A 143 7.439 72.481 16.652 1.0 0.0 C
ATOM 2310 CD PRO A 143 8.158 71.874 17.823 1.0 0.0 C
ATOM 2311 C PRO A 143 10.600 74.415 16.780 1.0 0.0 C
ATOM 2312 O PRO A 143 11.063 75.069 15.840 1.0 0.0 O
ATOM 2313 HA PRO A 143 10.359 72.814 15.836 1.0 0.0 H
ATOM 2314 HB2 PRO A 143 8.227 74.471 16.800 1.0 0.0 H
ATOM 2315 HB3 PRO A 143 8.290 74.304 15.492 1.0 0.0 H
ATOM 2316 HG2 PRO A 143 6.562 72.939 16.797 1.0 0.0 H
ATOM 2317 HG3 PRO A 143 6.957 72.194 15.824 1.0 0.0 H
ATOM 2318 HD2 PRO A 143 7.708 72.314 18.600 1.0 0.0 H
ATOM 2319 HD3 PRO A 143 7.681 71.046 18.120 1.0 0.0 H
ATOM 2320 N ILE A 144 10.845 74.710 18.051 1.0 0.0 N
ATOM 2321 CA ILE A 144 11.613 75.881 18.428 1.0 0.0 C
ATOM 2322 CB ILE A 144 11.110 76.435 19.773 1.0 0.0 C
ATOM 2323 CG1 ILE A 144 9.596 76.691 19.688 1.0 0.0 C
ATOM 2324 CD1 ILE A 144 8.841 76.314 20.949 1.0 0.0 C
ATOM 2325 CG2 ILE A 144 11.859 77.714 20.151 1.0 0.0 C
ATOM 2326 C ILE A 144 13.110 75.568 18.494 1.0 0.0 C
ATOM 2327 O ILE A 144 13.902 76.141 17.734 1.0 0.0 O
ATOM 2328 H ILE A 144 9.867 74.914 18.008 1.0 0.0 H
ATOM 2329 HA ILE A 144 11.719 76.350 17.551 1.0 0.0 H
ATOM 2330 HB ILE A 144 11.574 75.730 20.309 1.0 0.0 H
ATOM 2331 HG12 ILE A 144 9.803 77.570 19.258 1.0 0.0 H
ATOM 2332 HG13 ILE A 144 9.704 76.730 18.695 1.0 0.0 H
ATOM 2333 HD11 ILE A 144 7.857 76.480 20.894 1.0 0.0 H
ATOM 2334 HD12 ILE A 144 8.821 76.704 21.870 1.0 0.0 H
ATOM 2335 HD13 ILE A 144 8.634 75.435 21.379 1.0 0.0 H
ATOM 2336 HG21 ILE A 144 11.532 78.074 21.025 1.0 0.0 H
ATOM 2337 HG22 ILE A 144 11.816 78.619 19.727 1.0 0.0 H
ATOM 2338 HG23 ILE A 144 12.814 77.828 20.426 1.0 0.0 H
ATOM 2339 N SER A 145 13.496 74.671 19.400 1.0 0.0 N
ATOM 2340 CA SER A 145 14.893 74.230 19.515 1.0 0.0 C
ATOM 2341 CB SER A 145 15.105 73.410 20.792 1.0 0.0 C
ATOM 2342 OG SER A 145 14.600 72.088 20.658 1.0 0.0 O
ATOM 2343 C SER A 145 15.278 73.389 18.313 1.0 0.0 C
ATOM 2344 O SER A 145 16.454 73.236 17.998 1.0 0.0 O
ATOM 2345 H SER A 145 13.242 75.226 20.193 1.0 0.0 H
ATOM 2346 HA SER A 145 15.426 75.023 19.221 1.0 0.0 H
ATOM 2347 HB2 SER A 145 16.063 73.686 20.876 1.0 0.0 H
ATOM 2348 HB3 SER A 145 15.163 74.212 21.387 1.0 0.0 H
ATOM 2349 HG SER A 145 14.738 71.553 21.491 1.0 0.0 H
ATOM 2350 N LYS A 146 14.258 72.824 17.668 1.0 0.0 N
ATOM 2351 CA LYS A 146 14.411 72.004 16.467 1.0 0.0 C
ATOM 2352 CB LYS A 146 15.031 72.815 15.321 1.0 0.0 C
ATOM 2353 CG LYS A 146 14.410 74.206 15.176 1.0 0.0 C
ATOM 2354 CD LYS A 146 14.198 74.621 13.721 1.0 0.0 C
ATOM 2355 CE LYS A 146 15.506 74.934 13.007 1.0 0.0 C
ATOM 2356 NZ LYS A 146 16.266 76.024 13.684 1.0 0.0 N
ATOM 2357 C LYS A 146 15.190 70.729 16.777 1.0 0.0 C
ATOM 2358 O LYS A 146 15.858 70.175 15.910 1.0 0.0 O
ATOM 2359 H LYS A 146 13.748 73.660 17.465 1.0 0.0 H
ATOM 2360 HA LYS A 146 13.561 71.481 16.531 1.0 0.0 H
ATOM 2361 HB2 LYS A 146 15.937 72.518 15.622 1.0 0.0 H
ATOM 2362 HB3 LYS A 146 15.393 71.964 14.941 1.0 0.0 H
ATOM 2363 HG2 LYS A 146 13.771 73.970 15.908 1.0 0.0 H
ATOM 2364 HG3 LYS A 146 14.679 74.390 16.121 1.0 0.0 H
ATOM 2365 HD2 LYS A 146 13.549 73.869 13.608 1.0 0.0 H
ATOM 2366 HD3 LYS A 146 13.239 74.816 13.925 1.0 0.0 H
ATOM 2367 HE2 LYS A 146 15.719 73.960 12.931 1.0 0.0 H
ATOM 2368 HE3 LYS A 146 15.177 74.508 12.164 1.0 0.0 H
ATOM 2369 HZ1 LYS A 146 17.125 76.230 13.215 1.0 0.0 H
ATOM 2370 HZ2 LYS A 146 16.729 76.024 14.571 1.0 0.0 H
ATOM 2371 HZ3 LYS A 146 16.053 76.998 13.760 1.0 0.0 H
ATOM 2372 N GLY A 147 15.074 70.268 18.024 1.0 0.0 N
ATOM 2373 CA GLY A 147 15.648 69.005 18.464 1.0 0.0 C
ATOM 2374 C GLY A 147 14.537 68.022 18.785 1.0 0.0 C
ATOM 2375 O GLY A 147 13.355 68.368 18.773 1.0 0.0 O
ATOM 2376 H GLY A 147 15.806 70.916 17.813 1.0 0.0 H
ATOM 2377 HA2 GLY A 147 16.292 68.957 17.700 1.0 0.0 H
ATOM 2378 HA3 GLY A 147 16.534 69.392 18.719 1.0 0.0 H
ATOM 2379 N GLN A 148 14.928 66.794 19.097 1.0 0.0 N
ATOM 2380 CA GLN A 148 13.994 65.768 19.544 1.0 0.0 C
ATOM 2381 CB GLN A 148 14.238 64.478 18.771 1.0 0.0 C
ATOM 2382 CG GLN A 148 13.811 64.561 17.305 1.0 0.0 C
ATOM 2383 CD GLN A 148 13.690 63.213 16.584 1.0 0.0 C
ATOM 2384 OE1 GLN A 148 14.111 63.083 15.431 1.0 0.0 O
ATOM 2385 NE2 GLN A 148 13.132 62.207 17.255 1.0 0.0 N
ATOM 2386 C GLN A 148 14.129 65.545 21.063 1.0 0.0 C
ATOM 2387 O GLN A 148 15.203 65.171 21.555 1.0 0.0 O
ATOM 2388 H GLN A 148 14.840 66.939 18.111 1.0 0.0 H
ATOM 2389 HA GLN A 148 13.146 66.283 19.671 1.0 0.0 H
ATOM 2390 HB2 GLN A 148 15.134 64.417 19.211 1.0 0.0 H
ATOM 2391 HB3 GLN A 148 14.311 64.008 19.651 1.0 0.0 H
ATOM 2392 HG2 GLN A 148 13.165 65.260 17.612 1.0 0.0 H
ATOM 2393 HG3 GLN A 148 14.064 65.525 17.387 1.0 0.0 H
ATOM 2394 HE21 GLN A 148 12.791 62.312 18.189 1.0 0.0 H
ATOM 2395 HE22 GLN A 148 13.051 61.315 16.809 1.0 0.0 H
ATOM 2396 N LEU A 149 13.042 65.800 21.793 1.0 0.0 N
ATOM 2397 CA LEU A 149 13.048 65.813 23.255 1.0 0.0 C
ATOM 2398 CB LEU A 149 12.289 67.033 23.768 1.0 0.0 C
ATOM 2399 CG LEU A 149 12.700 68.400 23.223 1.0 0.0 C
ATOM 2400 CD1 LEU A 149 11.779 69.484 23.770 1.0 0.0 C
ATOM 2401 CD2 LEU A 149 14.150 68.703 23.561 1.0 0.0 C
ATOM 2402 C LEU A 149 12.357 64.586 23.787 1.0 0.0 C
ATOM 2403 O LEU A 149 11.346 64.173 23.238 1.0 0.0 O
ATOM 2404 H LEU A 149 13.501 66.615 21.440 1.0 0.0 H
ATOM 2405 HA LEU A 149 13.967 65.558 23.554 1.0 0.0 H
ATOM 2406 HB2 LEU A 149 11.509 66.412 23.699 1.0 0.0 H
ATOM 2407 HB3 LEU A 149 12.007 66.364 24.455 1.0 0.0 H
ATOM 2408 HG LEU A 149 12.293 68.207 22.330 1.0 0.0 H
ATOM 2409 HD11 LEU A 149 12.048 70.379 23.413 1.0 0.0 H
ATOM 2410 HD12 LEU A 149 11.717 69.822 24.709 1.0 0.0 H
ATOM 2411 HD13 LEU A 149 10.813 69.634 23.558 1.0 0.0 H
ATOM 2412 HD21 LEU A 149 14.754 67.992 23.202 1.0 0.0 H
ATOM 2413 HD22 LEU A 149 14.599 68.687 24.454 1.0 0.0 H
ATOM 2414 HD23 LEU A 149 14.735 69.432 23.206 1.0 0.0 H
ATOM 2415 N TRP A 150 12.874 64.025 24.878 1.0 0.0 N
ATOM 2416 CA TRP A 150 12.250 62.858 25.511 1.0 0.0 C
ATOM 2417 CB TRP A 150 13.182 62.232 26.538 1.0 0.0 C
ATOM 2418 CG TRP A 150 14.404 61.614 26.035 1.0 0.0 C
ATOM 2419 CD1 TRP A 150 15.662 62.143 26.067 1.0 0.0 C
ATOM 2420 NE1 TRP A 150 16.559 61.252 25.536 1.0 0.0 N
ATOM 2421 CE2 TRP A 150 15.886 60.120 25.156 1.0 0.0 C
ATOM 2422 CD2 TRP A 150 14.527 60.310 25.469 1.0 0.0 C
ATOM 2423 CE3 TRP A 150 13.617 59.284 25.182 1.0 0.0 C
ATOM 2424 CZ3 TRP A 150 14.093 58.112 24.599 1.0 0.0 C
ATOM 2425 CH2 TRP A 150 15.455 57.952 24.303 1.0 0.0 C
ATOM 2426 CZ2 TRP A 150 16.363 58.942 24.570 1.0 0.0 C
ATOM 2427 C TRP A 150 10.989 63.254 26.268 1.0 0.0 C
ATOM 2428 O TRP A 150 11.018 64.211 27.042 1.0 0.0 O
ATOM 2429 H TRP A 150 13.702 63.765 24.381 1.0 0.0 H
ATOM 2430 HA TRP A 150 11.822 62.310 24.792 1.0 0.0 H
ATOM 2431 HB2 TRP A 150 12.968 63.040 27.087 1.0 0.0 H
ATOM 2432 HB3 TRP A 150 12.370 62.265 27.121 1.0 0.0 H
ATOM 2433 HD1 TRP A 150 15.895 63.047 26.425 1.0 0.0 H
ATOM 2434 HE1 TRP A 150 17.543 61.403 25.441 1.0 0.0 H
ATOM 2435 HE3 TRP A 150 12.645 59.391 25.392 1.0 0.0 H
ATOM 2436 HZ3 TRP A 150 13.454 57.373 24.388 1.0 0.0 H
ATOM 2437 HH2 TRP A 150 15.769 57.098 23.889 1.0 0.0 H
ATOM 2438 HZ2 TRP A 150 17.333 58.827 24.354 1.0 0.0 H
ATOM 2439 N VAL A 151 9.893 62.526 26.080 1.0 0.0 N
ATOM 2440 CA VAL A 151 8.727 62.740 26.920 1.0 0.0 C
ATOM 2441 CB VAL A 151 7.468 62.054 26.379 1.0 0.0 C
ATOM 2442 CG1 VAL A 151 6.331 62.154 27.393 1.0 0.0 C
ATOM 2443 CG2 VAL A 151 7.065 62.653 25.041 1.0 0.0 C
ATOM 2444 C VAL A 151 9.047 62.165 28.281 1.0 0.0 C
ATOM 2445 O VAL A 151 9.517 61.028 28.386 1.0 0.0 O
ATOM 2446 H VAL A 151 9.681 62.906 25.180 1.0 0.0 H
ATOM 2447 HA VAL A 151 8.794 63.693 27.216 1.0 0.0 H
ATOM 2448 HB VAL A 151 7.833 61.142 26.567 1.0 0.0 H
ATOM 2449 HG11 VAL A 151 5.509 61.706 27.040 1.0 0.0 H
ATOM 2450 HG12 VAL A 151 5.822 62.968 27.673 1.0 0.0 H
ATOM 2451 HG13 VAL A 151 6.252 61.700 28.281 1.0 0.0 H
ATOM 2452 HG21 VAL A 151 6.243 62.205 24.688 1.0 0.0 H
ATOM 2453 HG22 VAL A 151 7.534 62.579 24.161 1.0 0.0 H
ATOM 2454 HG23 VAL A 151 6.700 63.565 24.853 1.0 0.0 H
ATOM 2455 N VAL A 152 8.779 62.956 29.319 1.0 0.0 N
ATOM 2456 CA VAL A 152 9.034 62.579 30.714 1.0 0.0 C
ATOM 2457 CB VAL A 152 10.279 63.285 31.273 1.0 0.0 C
ATOM 2458 CG1 VAL A 152 10.574 62.794 32.677 1.0 0.0 C
ATOM 2459 CG2 VAL A 152 11.465 63.044 30.363 1.0 0.0 C
ATOM 2460 C VAL A 152 7.845 62.960 31.584 1.0 0.0 C
ATOM 2461 O VAL A 152 7.296 64.044 31.451 1.0 0.0 O
ATOM 2462 H VAL A 152 9.560 62.706 28.747 1.0 0.0 H
ATOM 2463 HA VAL A 152 8.870 61.593 30.752 1.0 0.0 H
ATOM 2464 HB VAL A 152 9.794 64.147 31.423 1.0 0.0 H
ATOM 2465 HG11 VAL A 152 11.384 63.253 33.041 1.0 0.0 H
ATOM 2466 HG12 VAL A 152 10.898 61.889 32.953 1.0 0.0 H
ATOM 2467 HG13 VAL A 152 10.042 62.960 33.507 1.0 0.0 H
ATOM 2468 HG21 VAL A 152 12.275 63.503 30.727 1.0 0.0 H
ATOM 2469 HG22 VAL A 152 11.605 63.402 29.440 1.0 0.0 H
ATOM 2470 HG23 VAL A 152 11.950 62.182 30.213 1.0 0.0 H
ATOM 2471 N VAL A 153 7.467 62.060 32.476 1.0 0.0 N
ATOM 2472 CA VAL A 153 6.343 62.269 33.357 1.0 0.0 C
ATOM 2473 CB VAL A 153 5.461 61.026 33.391 1.0 0.0 C
ATOM 2474 CG1 VAL A 153 4.169 61.317 34.123 1.0 0.0 C
ATOM 2475 CG2 VAL A 153 5.168 60.583 31.977 1.0 0.0 C
ATOM 2476 C VAL A 153 6.853 62.532 34.756 1.0 0.0 C
ATOM 2477 O VAL A 153 7.923 62.053 35.135 1.0 0.0 O
ATOM 2478 H VAL A 153 7.130 61.886 31.551 1.0 0.0 H
ATOM 2479 HA VAL A 153 6.019 63.202 33.200 1.0 0.0 H
ATOM 2480 HB VAL A 153 6.033 60.543 34.054 1.0 0.0 H
ATOM 2481 HG11 VAL A 153 3.590 60.502 34.145 1.0 0.0 H
ATOM 2482 HG12 VAL A 153 3.416 61.905 33.828 1.0 0.0 H
ATOM 2483 HG13 VAL A 153 4.044 61.495 35.099 1.0 0.0 H
ATOM 2484 HG21 VAL A 153 4.589 59.768 31.999 1.0 0.0 H
ATOM 2485 HG22 VAL A 153 5.826 60.193 31.333 1.0 0.0 H
ATOM 2486 HG23 VAL A 153 4.596 61.066 31.314 1.0 0.0 H
ATOM 2487 N GLY A 154 6.087 63.271 35.544 1.0 0.0 N
ATOM 2488 CA GLY A 154 6.466 63.480 36.925 1.0 0.0 C
ATOM 2489 C GLY A 154 5.317 63.783 37.844 1.0 0.0 C
ATOM 2490 O GLY A 154 4.210 64.125 37.410 1.0 0.0 O
ATOM 2491 H GLY A 154 6.852 63.069 34.932 1.0 0.0 H
ATOM 2492 HA2 GLY A 154 7.077 62.694 36.830 1.0 0.0 H
ATOM 2493 HA3 GLY A 154 7.397 63.623 36.588 1.0 0.0 H
ATOM 2494 N THR A 155 5.588 63.634 39.133 1.0 0.0 N
ATOM 2495 CA THR A 155 4.707 64.153 40.176 1.0 0.0 C
ATOM 2496 CB THR A 155 3.503 63.216 40.452 1.0 0.0 C
ATOM 2497 OG1 THR A 155 2.549 63.895 41.273 1.0 0.0 O
ATOM 2498 CG2 THR A 155 3.939 61.931 41.116 1.0 0.0 C
ATOM 2499 C THR A 155 5.517 64.435 41.446 1.0 0.0 C
ATOM 2500 O THR A 155 6.701 64.076 41.553 1.0 0.0 O
ATOM 2501 H THR A 155 5.059 63.450 38.304 1.0 0.0 H
ATOM 2502 HA THR A 155 4.745 65.124 39.939 1.0 0.0 H
ATOM 2503 HB THR A 155 2.948 63.315 39.626 1.0 0.0 H
ATOM 2504 HG1 THR A 155 1.772 63.291 41.451 1.0 0.0 H
ATOM 2505 HG21 THR A 155 3.162 61.327 41.294 1.0 0.0 H
ATOM 2506 HG22 THR A 155 4.296 61.779 42.038 1.0 0.0 H
ATOM 2507 HG23 THR A 155 4.473 61.171 40.745 1.0 0.0 H
ATOM 2508 N SER A 156 4.864 65.101 42.389 1.0 0.0 N
ATOM 2509 CA SER A 156 5.468 65.449 43.662 1.0 0.0 C
ATOM 2510 CB SER A 156 5.903 66.913 43.657 1.0 0.0 C
ATOM 2511 OG SER A 156 4.772 67.788 43.577 1.0 0.0 O
ATOM 2512 C SER A 156 4.446 65.242 44.756 1.0 0.0 C
ATOM 2513 O SER A 156 3.238 65.222 44.501 1.0 0.0 O
ATOM 2514 H SER A 156 5.540 65.238 41.665 1.0 0.0 H
ATOM 2515 HA SER A 156 6.030 64.667 43.932 1.0 0.0 H
ATOM 2516 HB2 SER A 156 6.517 66.800 44.438 1.0 0.0 H
ATOM 2517 HB3 SER A 156 6.825 66.729 43.315 1.0 0.0 H
ATOM 2518 HG SER A 156 5.057 68.747 43.574 1.0 0.0 H
ATOM 2519 N ALA A 157 4.939 65.106 45.981 1.0 0.0 N
ATOM 2520 CA ALA A 157 4.073 65.023 47.163 1.0 0.0 C
ATOM 2521 CB ALA A 157 3.720 63.573 47.466 1.0 0.0 C
ATOM 2522 C ALA A 157 4.711 65.662 48.378 1.0 0.0 C
ATOM 2523 O ALA A 157 5.930 65.590 48.559 1.0 0.0 O
ATOM 2524 H ALA A 157 5.171 66.058 45.782 1.0 0.0 H
ATOM 2525 HA ALA A 157 3.441 65.785 47.021 1.0 0.0 H
ATOM 2526 HB1 ALA A 157 3.299 63.151 46.663 1.0 0.0 H
ATOM 2527 HB2 ALA A 157 3.012 63.238 48.087 1.0 0.0 H
ATOM 2528 HB3 ALA A 157 4.352 62.811 47.608 1.0 0.0 H
ATOM 2529 OXT ALA A 157 4.121 65.605 49.183 1.0 0.0 O
TER
ENDMDL
END
模拟的输出结果为：
$ python3 test_openmm.py
#"Step","Potential Energy (kJ/mole)","Temperature (K)"
1000,-9033.825500488281,301.92065801292995
2000,-9268.240600585938,302.10168662116087
3000,-9273.523742675781,309.1021412145269
4000,-9472.859832763672,304.66424401527763
5000,-9340.563781738281,302.06315167179406
6000,-9413.580932617188,307.51769513484544
7000,-9418.724060058594,302.3040982815063
8000,-9683.616943359375,298.0298541650781
9000,-9539.312561035156,296.56061774392634
10000,-9480.7880859375,304.80073801952597
同时会在当前路径下保存一个
output.pdb
的最终构象。优化前后的构想对比如下图所示：
这样就完成了一个简单的能量极小化过程。
报错排查
这里提供一些有可能遇到的报错问题排查：
ValueError: Requested periodic boundary conditions for a Topology that does not specify periodic box dimensions
这个问题是由于力场中设置了PME而实际上没有Box输入导致的，如果需要模拟纯蛋白体系，就要在createSystem的时候把PME的选项关掉。
ValueError: coordinate "xxx" could not be represented in a width-8 field
这是由于在模拟的过程中，氢键被拉的太长而断裂所导致的，可以在createSystem的时候加上氢键的constraints。
ValueError: No template found for residue xxx.
这种问题经常出现在
CYS
这个residue上，实际使用的话，可以把已有文件中的CYS删掉，然后用pdbfixer重构。更多的常见问题，可以参考本文的参考链接3中的内容。
总结概要
本文介绍了AlphaFold2中所使用到的开源分子动力学模拟软件OpenMM的安装和基础使用方法，其中包含了pdbfixer蛋白质构象文件修复工具的介绍和一个真空蛋白体系的能量极小化示例，并且提供了一些有可能在OpenMM的安装和使用过程中遇到的问题和解决方法。
版权声明
本文首发链接为：
https://www.cnblogs.com/dechinphy/p/openmm.html
作者ID：DechinPhy
更多原著文章：
https://www.cnblogs.com/dechinphy/
请博主喝咖啡：
https://www.cnblogs.com/dechinphy/gallery/image/379634.html
参考链接
- https://htmlpreview.github.io/?https://github.com/openmm/pdbfixer/blob/master/Manual.html
- https://zhuanlan.zhihu.com/p/348312690
- https://github.com/openmm/openmm/wiki/Frequently-Asked-Questions#template
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