From 34d480337ca4ac63facaeed7fb2507b497748c8d Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Fri, 17 Dec 2021 14:18:31 -0700 Subject: [PATCH 1/7] add CI and mybinder --- .binder/environment.yml | 13 + .github/workflows/CI.yml | 63 + .github/workflows/binder-badge.yaml | 28 + .github/workflows/build-image.yml | 19 + .gitignore | 230 + .pre-commit-config.yaml | 15 + README.md | 7 + devtools/conda-envs/test_env.yaml | 13 + setup/3l9h_prepared.pdb | 6350 +++++++++++++++++++++++++++ setup/chembl_1078774.sdf | 119 + 10 files changed, 6857 insertions(+) create mode 100644 .binder/environment.yml create mode 100644 .github/workflows/CI.yml create mode 100644 .github/workflows/binder-badge.yaml create mode 100644 .github/workflows/build-image.yml create mode 100644 .gitignore create mode 100644 .pre-commit-config.yaml create mode 100644 README.md create mode 100644 devtools/conda-envs/test_env.yaml create mode 100644 setup/3l9h_prepared.pdb create mode 100644 setup/chembl_1078774.sdf diff --git a/.binder/environment.yml b/.binder/environment.yml new file mode 100644 index 0000000..7833a54 --- /dev/null +++ b/.binder/environment.yml @@ -0,0 +1,13 @@ +name: openfe-notebooks +channels: + - jaimergp/label/unsupported-cudatoolkit-shim + - conda-forge +dependencies: + # setup + - openmm + - openmmforcefields + - openff-toolkit + # CI + - pytest + - pytest-xdist + - nbval diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml new file mode 100644 index 0000000..47ac9cb --- /dev/null +++ b/.github/workflows/CI.yml @@ -0,0 +1,63 @@ +name: full_tests + +on: + push: + branches: + - main + pull_request: + branches: + - main + schedule: + # nightly tests, 2 am + - cron: "0 2 * * *" + + +defaults: + run: + shell: bash -l {0} + +jobs: + test: + runs-on: ${{ matrix.os }} + strategy: + fail-fast: false + matrix: + os: [ubuntu-latest, macos-10.15, macos-11] + python-version: ["3.8", "3.9",] + env: + OE_LICENSE: ${{ github.workspace }}/oe_license.txt + + steps: + - uses: actions/checkout@v2.4.0 + + - uses: conda-incubator/setup-miniconda@v2.1.1 + with: + python-version: "${{ matrix.python-version }}" + environment-file: devtools/conda-envs/test_env.yaml + activate-environment: test + auto-activate-base: false + mamba-version: "*" + miniforge-version: latest + miniforge-variant: Mambaforge + use-mamba: true + channel-priority: true + + - name: Additional info about the build + run: | + uname -a + df -h + ulimit -a + - name: Environment Information + run: | + conda info + conda list + - name: License OpenEye + run: | + echo "${SECRET_OE_LICENSE}" > ${OE_LICENSE} + python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()" + env: + SECRET_OE_LICENSE: ${{ secrets.OE_LICENSE }} + + - name: Run example notebooks + run: | + python -m pytest -v setup/ --nbval-lax -n auto --dist loadscope diff --git a/.github/workflows/binder-badge.yaml b/.github/workflows/binder-badge.yaml new file mode 100644 index 0000000..3d8d210 --- /dev/null +++ b/.github/workflows/binder-badge.yaml @@ -0,0 +1,28 @@ +#./.github/workflows/binder-badge.yaml +name: Binder Badge +on: + pull_request_target: + types: [opened] + +jobs: + binder: + runs-on: ubuntu-latest + permissions: + pull-requests: write + steps: + - name: comment on PR with Binder link + uses: actions/github-script@v3 + with: + github-token: ${{secrets.GITHUB_TOKEN}} + script: | + var PR_HEAD_USERREPO = process.env.PR_HEAD_USERREPO; + var PR_HEAD_REF = process.env.PR_HEAD_REF; + github.issues.createComment({ + issue_number: context.issue.number, + owner: context.repo.owner, + repo: context.repo.repo, + body: `[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/${PR_HEAD_USERREPO}/${PR_HEAD_REF}) :point_left: Launch a binder notebook on branch _${PR_HEAD_USERREPO}/${PR_HEAD_REF}_` + }) + env: + PR_HEAD_REF: ${{ github.event.pull_request.head.ref }} + PR_HEAD_USERREPO: ${{ github.event.pull_request.head.repo.full_name }} diff --git a/.github/workflows/build-image.yml b/.github/workflows/build-image.yml new file mode 100644 index 0000000..ecbdd98 --- /dev/null +++ b/.github/workflows/build-image.yml @@ -0,0 +1,19 @@ +name: Build container image + +on: [push] + +jobs: + build: + runs-on: ubuntu-latest + steps: + + - name: checkout files in repo + uses: actions/checkout@main + + - name: update jupyter dependencies with repo2docker + uses: jupyterhub/repo2docker-action@master + with: # make sure username & password/token matches your registry + DOCKER_USERNAME: ${{ secrets.QUAY_USERNAME }} + DOCKER_PASSWORD: ${{ secrets.QUAY_PASSWORD }} + DOCKER_REGISTRY: "quay.io" + IMAGE_NAME: "mikemhenry/openfe-notebooks" diff --git a/.gitignore b/.gitignore new file mode 100644 index 0000000..3f27a03 --- /dev/null +++ b/.gitignore @@ -0,0 +1,230 @@ +# Files created by notebooks + +*.gro +*.top + +# Created by https://www.toptal.com/developers/gitignore/api/osx,python,jupyternotebooks,windows,linux +# Edit at https://www.toptal.com/developers/gitignore?templates=osx,python,jupyternotebooks,windows,linux + +### JupyterNotebooks ### +# gitignore template for Jupyter Notebooks +# website: http://jupyter.org/ + +.ipynb_checkpoints +*/.ipynb_checkpoints/* + +# IPython +profile_default/ +ipython_config.py + +# Remove previous ipynb_checkpoints +# git rm -r .ipynb_checkpoints/ + +### Linux ### +*~ + +# temporary files which can be created if a process still has a handle open of a deleted file +.fuse_hidden* + +# KDE directory preferences +.directory + +# Linux trash folder which might appear on any partition or disk +.Trash-* + +# .nfs files are created when an open file is removed but is still being accessed +.nfs* + +### OSX ### +# General +.DS_Store +.AppleDouble +.LSOverride + +# Icon must end with two \r +Icon + + +# Thumbnails +._* + +# Files that might appear in the root of a volume +.DocumentRevisions-V100 +.fseventsd +.Spotlight-V100 +.TemporaryItems +.Trashes +.VolumeIcon.icns +.com.apple.timemachine.donotpresent + +# Directories potentially created on remote AFP share +.AppleDB +.AppleDesktop +Network Trash Folder +Temporary Items +.apdisk + +### Python ### +# Byte-compiled / optimized / DLL files +__pycache__/ +*.py[cod] +*$py.class + +# C extensions +*.so + +# Distribution / packaging +.Python +build/ +develop-eggs/ +dist/ +downloads/ +eggs/ +.eggs/ +lib/ +lib64/ +parts/ +sdist/ +var/ +wheels/ +share/python-wheels/ +*.egg-info/ +.installed.cfg +*.egg +MANIFEST + +# PyInstaller +# Usually these files are written by a python script from a template +# before PyInstaller builds the exe, so as to inject date/other infos into it. +*.manifest +*.spec + +# Installer logs +pip-log.txt +pip-delete-this-directory.txt + +# Unit test / coverage reports +htmlcov/ +.tox/ +.nox/ +.coverage +.coverage.* +.cache +nosetests.xml +coverage.xml +*.cover +*.py,cover +.hypothesis/ +.pytest_cache/ +cover/ + +# Translations +*.mo +*.pot + +# Django stuff: +*.log +local_settings.py +db.sqlite3 +db.sqlite3-journal + +# Flask stuff: +instance/ +.webassets-cache + +# Scrapy stuff: +.scrapy + +# Sphinx documentation +docs/_build/ + +# PyBuilder +.pybuilder/ +target/ + +# Jupyter Notebook + +# IPython + +# pyenv +# For a library or package, you might want to ignore these files since the code is +# intended to run in multiple environments; otherwise, check them in: +# .python-version + +# pipenv +# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. +# However, in case of collaboration, if having platform-specific dependencies or dependencies +# having no cross-platform support, pipenv may install dependencies that don't work, or not +# install all needed dependencies. +#Pipfile.lock + +# PEP 582; used by e.g. github.com/David-OConnor/pyflow +__pypackages__/ + +# Celery stuff +celerybeat-schedule +celerybeat.pid + +# SageMath parsed files +*.sage.py + +# Environments +.env +.venv +env/ +venv/ +ENV/ +env.bak/ +venv.bak/ + +# Spyder project settings +.spyderproject +.spyproject + +# Rope project settings +.ropeproject + +# mkdocs documentation +/site + +# mypy +.mypy_cache/ +.dmypy.json +dmypy.json + +# Pyre type checker +.pyre/ + +# pytype static type analyzer +.pytype/ + +# Cython debug symbols +cython_debug/ + +### Windows ### +# Windows thumbnail cache files +Thumbs.db +Thumbs.db:encryptable +ehthumbs.db +ehthumbs_vista.db + +# Dump file +*.stackdump + +# Folder config file +[Dd]esktop.ini + +# Recycle Bin used on file shares +$RECYCLE.BIN/ + +# Windows Installer files +*.cab +*.msi +*.msix +*.msm +*.msp + +# Windows shortcuts +*.lnk + +# End of https://www.toptal.com/developers/gitignore/api/osx,python,jupyternotebooks,windows,linux diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml new file mode 100644 index 0000000..bb7baac --- /dev/null +++ b/.pre-commit-config.yaml @@ -0,0 +1,15 @@ +# See https://pre-commit.com for more information +# See https://pre-commit.com/hooks.html for more hooks +ci: + autoupdate_schedule: quarterly + +files: (^notebooks) +repos: + - repo: https://github.com/psf/black + rev: 21.12b0 + hooks: + - id: black + - repo: https://github.com/psf/black + rev: 21.12b0 + hooks: + - id: black-jupyter diff --git a/README.md b/README.md new file mode 100644 index 0000000..4736d4c --- /dev/null +++ b/README.md @@ -0,0 +1,7 @@ +[![full_tests](https://github.com/mikemhenry/openfe-notebooks/actions/workflows/CI.yml/badge.svg)](https://github.com/mikemhenry/openfe-notebooks/actions/workflows/CI.yml) +[![pre-commit.ci status](https://results.pre-commit.ci/badge/github/mikemhenry/openfe-notebooks/main.svg)](https://results.pre-commit.ci/latest/github/mikemhenry/openfe-notebooks/main) +[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/mikemhenry/openfe-notebooks/HEAD) + +# OpenFE Notebooks + +Collection of notebooks for the Open FreeEnergy project. diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml new file mode 100644 index 0000000..7833a54 --- /dev/null +++ b/devtools/conda-envs/test_env.yaml @@ -0,0 +1,13 @@ +name: openfe-notebooks +channels: + - jaimergp/label/unsupported-cudatoolkit-shim + - conda-forge +dependencies: + # setup + - openmm + - openmmforcefields + - openff-toolkit + # CI + - pytest + - pytest-xdist + - nbval diff --git a/setup/3l9h_prepared.pdb b/setup/3l9h_prepared.pdb new file mode 100644 index 0000000..d7b51bc --- /dev/null +++ b/setup/3l9h_prepared.pdb @@ -0,0 +1,6350 @@ +REMARK 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE eg5_3l9h.a_primeloops_ADP-H2O_refined_ready +MODEL 1 +ATOM 1 CH3 ACE A 15 -21.565 -3.303 -12.947 1.00 0.00 C +ATOM 2 C ACE A 15 -20.126 -2.928 -12.615 1.00 0.00 C +ATOM 3 O ACE A 15 -19.813 -2.686 -11.450 1.00 0.00 O +ATOM 4 1H ACE A 15 -22.246 -2.940 -12.177 1.00 0.00 H +ATOM 5 2H ACE A 15 -21.872 -2.872 -13.901 1.00 0.00 H +ATOM 6 3H ACE A 15 -21.666 -4.386 -13.010 1.00 0.00 H +ATOM 7 N GLY A 16 -19.269 -2.880 -13.651 1.00 56.82 N +ATOM 8 CA GLY A 16 -17.848 -2.522 -13.581 1.00 57.15 C +ATOM 9 C GLY A 16 -17.065 -3.460 -12.653 1.00 56.24 C +ATOM 10 O GLY A 16 -17.268 -4.675 -12.674 1.00 56.63 O +ATOM 11 H2 GLY A 16 -19.619 -3.109 -14.570 1.00 0.00 H +ATOM 12 HA3 GLY A 16 -17.747 -1.483 -13.267 1.00 0.00 H +ATOM 13 HA2 GLY A 16 -17.423 -2.590 -14.582 1.00 0.00 H +ATOM 14 N LYS A 17 -16.154 -2.879 -11.858 1.00 53.91 N +ATOM 15 CA LYS A 17 -15.363 -3.587 -10.860 1.00 51.35 C +ATOM 16 C LYS A 17 -15.143 -2.660 -9.660 1.00 48.72 C +ATOM 17 O LYS A 17 -14.330 -1.738 -9.743 1.00 48.83 O +ATOM 18 CB LYS A 17 -14.045 -4.082 -11.501 1.00 53.46 C +ATOM 19 CG LYS A 17 -13.092 -4.834 -10.553 1.00 54.84 C +ATOM 20 CD LYS A 17 -13.625 -6.204 -10.092 1.00 56.79 C +ATOM 21 CE LYS A 17 -12.737 -6.905 -9.052 1.00 57.01 C +ATOM 22 NZ LYS A 17 -11.355 -7.084 -9.528 1.00 59.10 N1+ +ATOM 23 H LYS A 17 -16.005 -1.880 -11.908 1.00 0.00 H +ATOM 24 HA LYS A 17 -15.930 -4.452 -10.512 1.00 0.00 H +ATOM 25 HB3 LYS A 17 -13.511 -3.224 -11.912 1.00 0.00 H +ATOM 26 HB2 LYS A 17 -14.271 -4.723 -12.355 1.00 0.00 H +ATOM 27 HG3 LYS A 17 -12.871 -4.214 -9.686 1.00 0.00 H +ATOM 28 HG2 LYS A 17 -12.139 -4.969 -11.066 1.00 0.00 H +ATOM 29 HD3 LYS A 17 -13.747 -6.854 -10.960 1.00 0.00 H +ATOM 30 HD2 LYS A 17 -14.621 -6.090 -9.664 1.00 0.00 H +ATOM 31 HE3 LYS A 17 -13.152 -7.883 -8.807 1.00 0.00 H +ATOM 32 HE2 LYS A 17 -12.723 -6.331 -8.126 1.00 0.00 H +ATOM 33 HZ1 LYS A 17 -10.811 -7.551 -8.818 1.00 0.00 H +ATOM 34 HZ2 LYS A 17 -11.353 -7.637 -10.374 1.00 0.00 H +ATOM 35 HZ3 LYS A 17 -10.949 -6.178 -9.716 1.00 0.00 H +ATOM 36 N ASN A 18 -15.856 -2.944 -8.559 1.00 45.87 N +ATOM 37 CA ASN A 18 -15.736 -2.238 -7.280 1.00 44.12 C +ATOM 38 C ASN A 18 -14.347 -2.459 -6.659 1.00 40.49 C +ATOM 39 O ASN A 18 -13.778 -3.540 -6.828 1.00 38.53 O +ATOM 40 CB ASN A 18 -16.830 -2.732 -6.301 1.00 45.88 C +ATOM 41 CG ASN A 18 -18.275 -2.395 -6.696 1.00 48.93 C +ATOM 42 ND2 ASN A 18 -19.198 -2.528 -5.743 1.00 49.83 N +ATOM 43 OD1 ASN A 18 -18.568 -2.042 -7.836 1.00 50.57 O +ATOM 44 H ASN A 18 -16.520 -3.705 -8.579 1.00 0.00 H +ATOM 45 HA ASN A 18 -15.894 -1.184 -7.500 1.00 0.00 H +ATOM 46 HB3 ASN A 18 -16.653 -2.292 -5.318 1.00 0.00 H +ATOM 47 HB2 ASN A 18 -16.753 -3.812 -6.168 1.00 0.00 H +ATOM 48 HD22 ASN A 18 -20.165 -2.326 -5.946 1.00 0.00 H +ATOM 49 HD21 ASN A 18 -18.933 -2.809 -4.810 1.00 0.00 H +ATOM 50 N ILE A 19 -13.839 -1.445 -5.933 1.00 37.01 N +ATOM 51 CA ILE A 19 -12.581 -1.534 -5.187 1.00 33.92 C +ATOM 52 C ILE A 19 -12.674 -2.606 -4.086 1.00 32.91 C +ATOM 53 O ILE A 19 -13.562 -2.531 -3.237 1.00 32.02 O +ATOM 54 CB ILE A 19 -12.136 -0.166 -4.579 1.00 34.31 C +ATOM 55 CG1 ILE A 19 -11.767 0.808 -5.725 1.00 33.64 C +ATOM 56 CG2 ILE A 19 -10.978 -0.279 -3.551 1.00 32.90 C +ATOM 57 CD1 ILE A 19 -11.164 2.152 -5.290 1.00 33.56 C +ATOM 58 H ILE A 19 -14.366 -0.586 -5.832 1.00 0.00 H +ATOM 59 HA ILE A 19 -11.817 -1.848 -5.900 1.00 0.00 H +ATOM 60 HB ILE A 19 -12.993 0.261 -4.057 1.00 0.00 H +ATOM 61 HG13 ILE A 19 -12.647 1.003 -6.340 1.00 0.00 H +ATOM 62 HG12 ILE A 19 -11.055 0.318 -6.385 1.00 0.00 H +ATOM 63 HG21 ILE A 19 -10.692 0.695 -3.160 1.00 0.00 H +ATOM 64 HG22 ILE A 19 -11.249 -0.868 -2.675 1.00 0.00 H +ATOM 65 HG23 ILE A 19 -10.092 -0.731 -3.994 1.00 0.00 H +ATOM 66 HD11 ILE A 19 -11.226 2.883 -6.096 1.00 0.00 H +ATOM 67 HD12 ILE A 19 -11.679 2.560 -4.422 1.00 0.00 H +ATOM 68 HD13 ILE A 19 -10.110 2.050 -5.034 1.00 0.00 H +ATOM 69 N GLN A 20 -11.765 -3.589 -4.160 1.00 31.83 N +ATOM 70 CA GLN A 20 -11.710 -4.723 -3.244 1.00 31.76 C +ATOM 71 C GLN A 20 -10.961 -4.343 -1.968 1.00 29.83 C +ATOM 72 O GLN A 20 -9.749 -4.144 -2.013 1.00 30.30 O +ATOM 73 CB GLN A 20 -11.050 -5.924 -3.941 1.00 32.28 C +ATOM 74 CG GLN A 20 -11.954 -6.538 -5.022 1.00 35.88 C +ATOM 75 CD GLN A 20 -11.384 -7.836 -5.595 1.00 37.61 C +ATOM 76 NE2 GLN A 20 -12.243 -8.841 -5.767 1.00 39.78 N +ATOM 77 OE1 GLN A 20 -10.198 -7.928 -5.904 1.00 40.61 O +ATOM 78 H GLN A 20 -11.058 -3.561 -4.882 1.00 0.00 H +ATOM 79 HA GLN A 20 -12.729 -5.007 -2.976 1.00 0.00 H +ATOM 80 HB3 GLN A 20 -10.823 -6.691 -3.197 1.00 0.00 H +ATOM 81 HB2 GLN A 20 -10.095 -5.626 -4.375 1.00 0.00 H +ATOM 82 HG3 GLN A 20 -12.110 -5.830 -5.834 1.00 0.00 H +ATOM 83 HG2 GLN A 20 -12.939 -6.739 -4.596 1.00 0.00 H +ATOM 84 HE22 GLN A 20 -11.925 -9.726 -6.135 1.00 0.00 H +ATOM 85 HE21 GLN A 20 -13.211 -8.735 -5.498 1.00 0.00 H +ATOM 86 N VAL A 21 -11.692 -4.253 -0.853 1.00 27.26 N +ATOM 87 CA VAL A 21 -11.124 -3.855 0.426 1.00 26.53 C +ATOM 88 C VAL A 21 -11.010 -5.092 1.321 1.00 27.22 C +ATOM 89 O VAL A 21 -11.982 -5.833 1.467 1.00 28.15 O +ATOM 90 CB VAL A 21 -12.003 -2.804 1.139 1.00 25.02 C +ATOM 91 CG1 VAL A 21 -11.397 -2.339 2.475 1.00 25.05 C +ATOM 92 CG2 VAL A 21 -12.250 -1.583 0.232 1.00 23.47 C +ATOM 93 H VAL A 21 -12.680 -4.481 -0.864 1.00 0.00 H +ATOM 94 HA VAL A 21 -10.138 -3.411 0.290 1.00 0.00 H +ATOM 95 HB VAL A 21 -12.972 -3.253 1.361 1.00 0.00 H +ATOM 96 HG11 VAL A 21 -12.069 -1.637 2.953 1.00 0.00 H +ATOM 97 HG12 VAL A 21 -11.245 -3.151 3.186 1.00 0.00 H +ATOM 98 HG13 VAL A 21 -10.437 -1.842 2.328 1.00 0.00 H +ATOM 99 HG21 VAL A 21 -12.834 -0.819 0.741 1.00 0.00 H +ATOM 100 HG22 VAL A 21 -11.313 -1.124 -0.082 1.00 0.00 H +ATOM 101 HG23 VAL A 21 -12.804 -1.851 -0.667 1.00 0.00 H +ATOM 102 N VAL A 22 -9.823 -5.273 1.911 1.00 26.44 N +ATOM 103 CA VAL A 22 -9.529 -6.362 2.832 1.00 27.25 C +ATOM 104 C VAL A 22 -8.939 -5.772 4.121 1.00 25.59 C +ATOM 105 O VAL A 22 -8.287 -4.730 4.063 1.00 22.16 O +ATOM 106 CB VAL A 22 -8.545 -7.399 2.208 1.00 28.72 C +ATOM 107 CG1 VAL A 22 -9.001 -7.827 0.800 1.00 32.98 C +ATOM 108 CG2 VAL A 22 -7.061 -6.991 2.163 1.00 29.91 C +ATOM 109 H VAL A 22 -9.071 -4.614 1.747 1.00 0.00 H +ATOM 110 HA VAL A 22 -10.457 -6.858 3.096 1.00 0.00 H +ATOM 111 HB VAL A 22 -8.599 -8.292 2.833 1.00 0.00 H +ATOM 112 HG11 VAL A 22 -8.375 -8.626 0.417 1.00 0.00 H +ATOM 113 HG12 VAL A 22 -10.034 -8.175 0.800 1.00 0.00 H +ATOM 114 HG13 VAL A 22 -8.931 -7.007 0.085 1.00 0.00 H +ATOM 115 HG21 VAL A 22 -6.461 -7.757 1.672 1.00 0.00 H +ATOM 116 HG22 VAL A 22 -6.939 -6.067 1.601 1.00 0.00 H +ATOM 117 HG23 VAL A 22 -6.636 -6.852 3.156 1.00 0.00 H +ATOM 118 N VAL A 23 -9.175 -6.445 5.256 1.00 24.13 N +ATOM 119 CA VAL A 23 -8.625 -6.049 6.554 1.00 23.21 C +ATOM 120 C VAL A 23 -7.567 -7.066 6.995 1.00 24.05 C +ATOM 121 O VAL A 23 -7.763 -8.263 6.794 1.00 25.40 O +ATOM 122 CB VAL A 23 -9.735 -5.937 7.640 1.00 22.95 C +ATOM 123 CG1 VAL A 23 -9.242 -5.829 9.101 1.00 24.02 C +ATOM 124 CG2 VAL A 23 -10.642 -4.736 7.338 1.00 22.44 C +ATOM 125 H VAL A 23 -9.720 -7.296 5.237 1.00 0.00 H +ATOM 126 HA VAL A 23 -8.149 -5.078 6.466 1.00 0.00 H +ATOM 127 HB VAL A 23 -10.355 -6.832 7.580 1.00 0.00 H +ATOM 128 HG11 VAL A 23 -10.075 -5.654 9.781 1.00 0.00 H +ATOM 129 HG12 VAL A 23 -8.753 -6.741 9.444 1.00 0.00 H +ATOM 130 HG13 VAL A 23 -8.542 -5.002 9.225 1.00 0.00 H +ATOM 131 HG21 VAL A 23 -11.465 -4.692 8.046 1.00 0.00 H +ATOM 132 HG22 VAL A 23 -10.096 -3.796 7.420 1.00 0.00 H +ATOM 133 HG23 VAL A 23 -11.068 -4.789 6.337 1.00 0.00 H +ATOM 134 N ARG A 24 -6.488 -6.572 7.621 1.00 23.76 N +ATOM 135 CA ARG A 24 -5.477 -7.407 8.255 1.00 24.07 C +ATOM 136 C ARG A 24 -5.233 -6.910 9.681 1.00 23.91 C +ATOM 137 O ARG A 24 -4.682 -5.828 9.867 1.00 23.91 O +ATOM 138 CB ARG A 24 -4.192 -7.449 7.402 1.00 24.65 C +ATOM 139 CG ARG A 24 -3.152 -8.446 7.946 1.00 24.28 C +ATOM 140 CD ARG A 24 -1.856 -8.476 7.133 1.00 22.93 C +ATOM 141 NE ARG A 24 -1.000 -9.587 7.569 1.00 21.81 N +ATOM 142 CZ ARG A 24 0.257 -9.820 7.166 1.00 24.11 C +ATOM 143 NH1 ARG A 24 0.894 -8.979 6.342 1.00 24.49 N +ATOM 144 NH2 ARG A 24 0.889 -10.921 7.592 1.00 25.73 N1+ +ATOM 145 H ARG A 24 -6.394 -5.572 7.748 1.00 0.00 H +ATOM 146 HA ARG A 24 -5.839 -8.429 8.337 1.00 0.00 H +ATOM 147 HB3 ARG A 24 -3.753 -6.453 7.327 1.00 0.00 H +ATOM 148 HB2 ARG A 24 -4.456 -7.743 6.384 1.00 0.00 H +ATOM 149 HG3 ARG A 24 -3.565 -9.449 8.057 1.00 0.00 H +ATOM 150 HG2 ARG A 24 -2.883 -8.124 8.952 1.00 0.00 H +ATOM 151 HD3 ARG A 24 -1.296 -7.572 7.369 1.00 0.00 H +ATOM 152 HD2 ARG A 24 -2.031 -8.464 6.057 1.00 0.00 H +ATOM 153 HE ARG A 24 -1.403 -10.208 8.261 1.00 0.00 H +ATOM 154 HH12 ARG A 24 1.839 -9.185 6.042 1.00 0.00 H +ATOM 155 HH11 ARG A 24 0.459 -8.108 6.062 1.00 0.00 H +ATOM 156 HH22 ARG A 24 1.839 -11.108 7.306 1.00 0.00 H +ATOM 157 HH21 ARG A 24 0.427 -11.580 8.206 1.00 0.00 H +ATOM 158 N CYS A 25 -5.610 -7.731 10.667 1.00 22.64 N +ATOM 159 CA CYS A 25 -5.257 -7.515 12.064 1.00 24.93 C +ATOM 160 C CYS A 25 -3.887 -8.159 12.322 1.00 26.45 C +ATOM 161 O CYS A 25 -3.722 -9.341 12.023 1.00 27.13 O +ATOM 162 CB CYS A 25 -6.347 -8.068 13.001 1.00 25.80 C +ATOM 163 SG CYS A 25 -6.026 -7.608 14.728 1.00 30.42 S +ATOM 164 H CYS A 25 -6.057 -8.613 10.447 1.00 0.00 H +ATOM 165 HA CYS A 25 -5.177 -6.446 12.249 1.00 0.00 H +ATOM 166 HB3 CYS A 25 -6.418 -9.153 12.923 1.00 0.00 H +ATOM 167 HB2 CYS A 25 -7.321 -7.666 12.722 1.00 0.00 H +ATOM 168 HG CYS A 25 -4.887 -8.298 14.857 1.00 0.00 H +ATOM 169 N ARG A 26 -2.938 -7.386 12.876 1.00 25.64 N +ATOM 170 CA ARG A 26 -1.645 -7.910 13.324 1.00 26.31 C +ATOM 171 C ARG A 26 -1.797 -8.649 14.678 1.00 28.11 C +ATOM 172 O ARG A 26 -2.758 -8.384 15.402 1.00 25.72 O +ATOM 173 CB ARG A 26 -0.605 -6.763 13.371 1.00 26.30 C +ATOM 174 CG ARG A 26 -0.778 -5.704 14.476 1.00 27.32 C +ATOM 175 CD ARG A 26 0.521 -4.921 14.708 1.00 28.22 C +ATOM 176 NE ARG A 26 0.349 -3.823 15.668 1.00 29.36 N +ATOM 177 CZ ARG A 26 0.171 -3.912 16.998 1.00 28.29 C +ATOM 178 NH1 ARG A 26 0.130 -5.089 17.640 1.00 33.40 N +ATOM 179 NH2 ARG A 26 0.052 -2.785 17.709 1.00 32.13 N1+ +ATOM 180 H ARG A 26 -3.135 -6.417 13.090 1.00 0.00 H +ATOM 181 HA ARG A 26 -1.304 -8.625 12.573 1.00 0.00 H +ATOM 182 HB3 ARG A 26 -0.558 -6.271 12.400 1.00 0.00 H +ATOM 183 HB2 ARG A 26 0.382 -7.200 13.503 1.00 0.00 H +ATOM 184 HG3 ARG A 26 -0.990 -6.215 15.413 1.00 0.00 H +ATOM 185 HG2 ARG A 26 -1.630 -5.048 14.296 1.00 0.00 H +ATOM 186 HD3 ARG A 26 0.932 -4.560 13.765 1.00 0.00 H +ATOM 187 HD2 ARG A 26 1.274 -5.582 15.136 1.00 0.00 H +ATOM 188 HE ARG A 26 0.432 -2.897 15.267 1.00 0.00 H +ATOM 189 HH12 ARG A 26 0.070 -5.120 18.653 1.00 0.00 H +ATOM 190 HH11 ARG A 26 0.212 -5.961 17.133 1.00 0.00 H +ATOM 191 HH22 ARG A 26 -0.082 -2.832 18.711 1.00 0.00 H +ATOM 192 HH21 ARG A 26 0.089 -1.880 17.257 1.00 0.00 H +ATOM 193 N PRO A 27 -0.835 -9.527 15.034 1.00 31.04 N +ATOM 194 CA PRO A 27 -0.768 -10.110 16.384 1.00 34.75 C +ATOM 195 C PRO A 27 -0.273 -9.111 17.442 1.00 38.49 C +ATOM 196 O PRO A 27 0.272 -8.058 17.102 1.00 38.86 O +ATOM 197 CB PRO A 27 0.219 -11.278 16.210 1.00 34.27 C +ATOM 198 CG PRO A 27 1.158 -10.821 15.108 1.00 33.61 C +ATOM 199 CD PRO A 27 0.237 -10.040 14.181 1.00 32.04 C +ATOM 200 HA PRO A 27 -1.742 -10.478 16.702 1.00 0.00 H +ATOM 201 HB3 PRO A 27 -0.318 -12.167 15.879 1.00 0.00 H +ATOM 202 HB2 PRO A 27 0.754 -11.548 17.122 1.00 0.00 H +ATOM 203 HG3 PRO A 27 1.678 -11.639 14.608 1.00 0.00 H +ATOM 204 HG2 PRO A 27 1.910 -10.149 15.524 1.00 0.00 H +ATOM 205 HD2 PRO A 27 0.794 -9.263 13.672 1.00 0.00 H +ATOM 206 HD3 PRO A 27 -0.207 -10.693 13.431 1.00 0.00 H +ATOM 207 N PHE A 28 -0.434 -9.505 18.715 1.00 42.80 N +ATOM 208 CA PHE A 28 0.241 -8.868 19.841 1.00 45.58 C +ATOM 209 C PHE A 28 1.760 -9.067 19.765 1.00 48.44 C +ATOM 210 O PHE A 28 2.216 -10.205 19.633 1.00 50.16 O +ATOM 211 CB PHE A 28 -0.295 -9.416 21.179 1.00 46.72 C +ATOM 212 CG PHE A 28 -1.684 -8.953 21.573 1.00 46.51 C +ATOM 213 CD1 PHE A 28 -2.635 -9.877 22.052 1.00 48.45 C +ATOM 214 CD2 PHE A 28 -1.997 -7.578 21.591 1.00 45.93 C +ATOM 215 CE1 PHE A 28 -3.874 -9.429 22.486 1.00 49.91 C +ATOM 216 CE2 PHE A 28 -3.235 -7.149 22.038 1.00 45.72 C +ATOM 217 CZ PHE A 28 -4.168 -8.071 22.479 1.00 47.71 C +ATOM 218 H PHE A 28 -0.929 -10.364 18.915 1.00 0.00 H +ATOM 219 HA PHE A 28 0.038 -7.802 19.775 1.00 0.00 H +ATOM 220 HB3 PHE A 28 0.368 -9.130 21.997 1.00 0.00 H +ATOM 221 HB2 PHE A 28 -0.278 -10.506 21.149 1.00 0.00 H +ATOM 222 HD1 PHE A 28 -2.406 -10.932 22.083 1.00 0.00 H +ATOM 223 HD2 PHE A 28 -1.282 -6.844 21.265 1.00 0.00 H +ATOM 224 HE1 PHE A 28 -4.604 -10.135 22.852 1.00 0.00 H +ATOM 225 HE2 PHE A 28 -3.468 -6.096 22.051 1.00 0.00 H +ATOM 226 HZ PHE A 28 -5.119 -7.719 22.835 1.00 0.00 H +ATOM 227 N ASN A 29 2.508 -7.959 19.880 1.00 50.46 N +ATOM 228 CA ASN A 29 3.970 -7.973 19.966 1.00 53.78 C +ATOM 229 C ASN A 29 4.460 -8.525 21.319 1.00 55.58 C +ATOM 230 O ASN A 29 3.662 -8.774 22.225 1.00 55.96 O +ATOM 231 CB ASN A 29 4.552 -6.582 19.598 1.00 53.62 C +ATOM 232 CG ASN A 29 4.130 -5.405 20.487 1.00 54.79 C +ATOM 233 ND2 ASN A 29 3.602 -4.338 19.883 1.00 53.06 N +ATOM 234 OD1 ASN A 29 4.312 -5.441 21.698 1.00 53.72 O +ATOM 235 H ASN A 29 2.053 -7.062 20.013 1.00 0.00 H +ATOM 236 HA ASN A 29 4.322 -8.666 19.199 1.00 0.00 H +ATOM 237 HB3 ASN A 29 4.276 -6.363 18.568 1.00 0.00 H +ATOM 238 HB2 ASN A 29 5.641 -6.622 19.598 1.00 0.00 H +ATOM 239 HD22 ASN A 29 3.304 -3.544 20.430 1.00 0.00 H +ATOM 240 HD21 ASN A 29 3.480 -4.324 18.880 1.00 0.00 H +ATOM 241 N LEU A 30 5.783 -8.705 21.424 1.00 57.56 N +ATOM 242 CA LEU A 30 6.475 -9.205 22.613 1.00 59.64 C +ATOM 243 C LEU A 30 6.241 -8.321 23.857 1.00 60.88 C +ATOM 244 O LEU A 30 6.101 -8.862 24.952 1.00 62.21 O +ATOM 245 CB LEU A 30 7.986 -9.347 22.307 1.00 60.12 C +ATOM 246 CG LEU A 30 8.377 -10.533 21.390 1.00 60.89 C +ATOM 247 CD1 LEU A 30 7.777 -10.462 19.969 1.00 60.86 C +ATOM 248 CD2 LEU A 30 9.909 -10.703 21.333 1.00 62.34 C +ATOM 249 H LEU A 30 6.373 -8.486 20.634 1.00 0.00 H +ATOM 250 HA LEU A 30 6.071 -10.193 22.841 1.00 0.00 H +ATOM 251 HB3 LEU A 30 8.508 -9.487 23.256 1.00 0.00 H +ATOM 252 HB2 LEU A 30 8.373 -8.413 21.895 1.00 0.00 H +ATOM 253 HG LEU A 30 7.997 -11.436 21.864 1.00 0.00 H +ATOM 254 HD11 LEU A 30 8.395 -10.985 19.238 1.00 0.00 H +ATOM 255 HD12 LEU A 30 6.790 -10.922 19.933 1.00 0.00 H +ATOM 256 HD13 LEU A 30 7.679 -9.432 19.625 1.00 0.00 H +ATOM 257 HD21 LEU A 30 10.200 -11.712 21.626 1.00 0.00 H +ATOM 258 HD22 LEU A 30 10.312 -10.527 20.336 1.00 0.00 H +ATOM 259 HD23 LEU A 30 10.424 -10.014 22.002 1.00 0.00 H +ATOM 260 N ALA A 31 6.145 -6.995 23.658 1.00 61.49 N +ATOM 261 CA ALA A 31 5.854 -6.000 24.693 1.00 61.47 C +ATOM 262 C ALA A 31 4.361 -5.873 25.075 1.00 60.67 C +ATOM 263 O ALA A 31 4.064 -5.117 25.999 1.00 59.44 O +ATOM 264 CB ALA A 31 6.440 -4.649 24.250 1.00 63.13 C +ATOM 265 H ALA A 31 6.234 -6.631 22.719 1.00 0.00 H +ATOM 266 HA ALA A 31 6.379 -6.295 25.602 1.00 0.00 H +ATOM 267 HB1 ALA A 31 6.323 -3.891 25.025 1.00 0.00 H +ATOM 268 HB2 ALA A 31 7.507 -4.735 24.041 1.00 0.00 H +ATOM 269 HB3 ALA A 31 5.958 -4.273 23.348 1.00 0.00 H +ATOM 270 N GLU A 32 3.460 -6.605 24.393 1.00 60.89 N +ATOM 271 CA GLU A 32 2.020 -6.656 24.673 1.00 61.52 C +ATOM 272 C GLU A 32 1.620 -7.970 25.370 1.00 61.89 C +ATOM 273 O GLU A 32 0.771 -7.932 26.260 1.00 62.53 O +ATOM 274 CB GLU A 32 1.224 -6.461 23.360 1.00 60.85 C +ATOM 275 CG GLU A 32 1.184 -4.994 22.878 1.00 60.97 C +ATOM 276 CD GLU A 32 0.532 -4.810 21.502 1.00 60.90 C +ATOM 277 OE1 GLU A 32 0.846 -5.606 20.590 1.00 59.14 O +ATOM 278 OE2 GLU A 32 -0.263 -3.857 21.362 1.00 59.59 O1- +ATOM 279 H GLU A 32 3.777 -7.172 23.618 1.00 0.00 H +ATOM 280 HA GLU A 32 1.740 -5.850 25.354 1.00 0.00 H +ATOM 281 HB3 GLU A 32 0.197 -6.809 23.492 1.00 0.00 H +ATOM 282 HB2 GLU A 32 1.654 -7.092 22.583 1.00 0.00 H +ATOM 283 HG3 GLU A 32 2.188 -4.577 22.832 1.00 0.00 H +ATOM 284 HG2 GLU A 32 0.642 -4.390 23.607 1.00 0.00 H +ATOM 285 N ARG A 33 2.239 -9.100 24.979 1.00 62.13 N +ATOM 286 CA ARG A 33 1.967 -10.426 25.547 1.00 62.76 C +ATOM 287 C ARG A 33 2.482 -10.611 26.985 1.00 63.12 C +ATOM 288 O ARG A 33 1.852 -11.358 27.734 1.00 62.75 O +ATOM 289 CB ARG A 33 2.537 -11.521 24.629 1.00 62.27 C +ATOM 290 CG ARG A 33 1.793 -11.642 23.289 1.00 62.64 C +ATOM 291 CD ARG A 33 2.213 -12.858 22.450 1.00 63.34 C +ATOM 292 NE ARG A 33 3.568 -12.724 21.895 1.00 64.48 N +ATOM 293 CZ ARG A 33 4.727 -13.098 22.465 1.00 65.42 C +ATOM 294 NH1 ARG A 33 4.782 -13.642 23.689 1.00 65.97 N +ATOM 295 NH2 ARG A 33 5.861 -12.935 21.778 1.00 64.71 N1+ +ATOM 296 H ARG A 33 2.917 -9.062 24.229 1.00 0.00 H +ATOM 297 HA ARG A 33 0.882 -10.547 25.583 1.00 0.00 H +ATOM 298 HB3 ARG A 33 2.455 -12.483 25.138 1.00 0.00 H +ATOM 299 HB2 ARG A 33 3.600 -11.344 24.462 1.00 0.00 H +ATOM 300 HG3 ARG A 33 1.959 -10.734 22.711 1.00 0.00 H +ATOM 301 HG2 ARG A 33 0.716 -11.694 23.455 1.00 0.00 H +ATOM 302 HD3 ARG A 33 1.497 -12.993 21.639 1.00 0.00 H +ATOM 303 HD2 ARG A 33 2.171 -13.772 23.040 1.00 0.00 H +ATOM 304 HE ARG A 33 3.611 -12.259 20.998 1.00 0.00 H +ATOM 305 HH12 ARG A 33 5.665 -13.922 24.091 1.00 0.00 H +ATOM 306 HH11 ARG A 33 3.931 -13.781 24.215 1.00 0.00 H +ATOM 307 HH22 ARG A 33 6.746 -13.222 22.172 1.00 0.00 H +ATOM 308 HH21 ARG A 33 5.841 -12.542 20.848 1.00 0.00 H +ATOM 309 N LYS A 34 3.574 -9.918 27.361 1.00 63.45 N +ATOM 310 CA LYS A 34 4.084 -9.875 28.739 1.00 64.03 C +ATOM 311 C LYS A 34 3.104 -9.219 29.727 1.00 64.60 C +ATOM 312 O LYS A 34 3.040 -9.646 30.879 1.00 65.69 O +ATOM 313 CB LYS A 34 5.428 -9.125 28.784 1.00 63.62 C +ATOM 314 CG LYS A 34 6.608 -9.898 28.176 1.00 64.63 C +ATOM 315 CD LYS A 34 7.986 -9.243 28.403 1.00 64.91 C +ATOM 316 CE LYS A 34 8.117 -7.776 27.952 1.00 65.86 C +ATOM 317 NZ LYS A 34 7.551 -6.831 28.934 1.00 65.56 N1+ +ATOM 318 H LYS A 34 4.051 -9.337 26.686 1.00 0.00 H +ATOM 319 HA LYS A 34 4.244 -10.904 29.068 1.00 0.00 H +ATOM 320 HB3 LYS A 34 5.682 -8.921 29.826 1.00 0.00 H +ATOM 321 HB2 LYS A 34 5.310 -8.157 28.296 1.00 0.00 H +ATOM 322 HG3 LYS A 34 6.444 -10.048 27.111 1.00 0.00 H +ATOM 323 HG2 LYS A 34 6.633 -10.901 28.605 1.00 0.00 H +ATOM 324 HD3 LYS A 34 8.730 -9.832 27.865 1.00 0.00 H +ATOM 325 HD2 LYS A 34 8.258 -9.331 29.456 1.00 0.00 H +ATOM 326 HE3 LYS A 34 7.653 -7.632 26.977 1.00 0.00 H +ATOM 327 HE2 LYS A 34 9.172 -7.528 27.838 1.00 0.00 H +ATOM 328 HZ1 LYS A 34 6.565 -7.015 29.051 1.00 0.00 H +ATOM 329 HZ2 LYS A 34 8.021 -6.944 29.821 1.00 0.00 H +ATOM 330 HZ3 LYS A 34 7.679 -5.884 28.605 1.00 0.00 H +ATOM 331 N ALA A 35 2.354 -8.213 29.247 1.00 64.26 N +ATOM 332 CA ALA A 35 1.293 -7.532 29.988 1.00 64.31 C +ATOM 333 C ALA A 35 -0.035 -8.312 30.007 1.00 64.22 C +ATOM 334 O ALA A 35 -0.942 -7.904 30.732 1.00 63.88 O +ATOM 335 CB ALA A 35 1.093 -6.139 29.372 1.00 63.53 C +ATOM 336 H ALA A 35 2.465 -7.930 28.284 1.00 0.00 H +ATOM 337 HA ALA A 35 1.613 -7.403 31.024 1.00 0.00 H +ATOM 338 HB1 ALA A 35 0.348 -5.563 29.923 1.00 0.00 H +ATOM 339 HB2 ALA A 35 2.022 -5.567 29.388 1.00 0.00 H +ATOM 340 HB3 ALA A 35 0.761 -6.200 28.335 1.00 0.00 H +ATOM 341 N SER A 36 -0.133 -9.395 29.211 1.00 64.97 N +ATOM 342 CA SER A 36 -1.320 -10.228 28.996 1.00 64.87 C +ATOM 343 C SER A 36 -2.507 -9.394 28.476 1.00 64.00 C +ATOM 344 O SER A 36 -3.587 -9.420 29.067 1.00 64.70 O +ATOM 345 CB SER A 36 -1.653 -11.054 30.262 1.00 65.13 C +ATOM 346 OG SER A 36 -0.674 -12.054 30.460 1.00 65.33 O +ATOM 347 H SER A 36 0.677 -9.663 28.668 1.00 0.00 H +ATOM 348 HA SER A 36 -1.077 -10.925 28.192 1.00 0.00 H +ATOM 349 HB3 SER A 36 -2.609 -11.566 30.151 1.00 0.00 H +ATOM 350 HB2 SER A 36 -1.730 -10.431 31.154 1.00 0.00 H +ATOM 351 HG SER A 36 0.157 -11.624 30.678 1.00 0.00 H +ATOM 352 N ALA A 37 -2.247 -8.625 27.403 1.00 62.61 N +ATOM 353 CA ALA A 37 -3.202 -7.718 26.769 1.00 60.97 C +ATOM 354 C ALA A 37 -4.442 -8.456 26.245 1.00 59.83 C +ATOM 355 O ALA A 37 -4.302 -9.470 25.562 1.00 59.91 O +ATOM 356 CB ALA A 37 -2.493 -6.966 25.631 1.00 60.54 C +ATOM 357 H ALA A 37 -1.322 -8.642 26.997 1.00 0.00 H +ATOM 358 HA ALA A 37 -3.514 -6.990 27.521 1.00 0.00 H +ATOM 359 HB1 ALA A 37 -3.175 -6.281 25.124 1.00 0.00 H +ATOM 360 HB2 ALA A 37 -1.660 -6.374 26.012 1.00 0.00 H +ATOM 361 HB3 ALA A 37 -2.094 -7.652 24.882 1.00 0.00 H +ATOM 362 N HIS A 38 -5.629 -7.925 26.577 1.00 58.07 N +ATOM 363 CA HIS A 38 -6.911 -8.415 26.076 1.00 56.37 C +ATOM 364 C HIS A 38 -7.176 -7.802 24.694 1.00 53.14 C +ATOM 365 O HIS A 38 -7.082 -6.582 24.537 1.00 52.97 O +ATOM 366 CB HIS A 38 -8.039 -8.095 27.084 1.00 57.37 C +ATOM 367 CG HIS A 38 -8.306 -6.628 27.329 1.00 58.33 C +ATOM 368 CD2 HIS A 38 -7.557 -5.736 28.068 1.00 58.28 C +ATOM 369 ND1 HIS A 38 -9.400 -5.951 26.772 1.00 58.82 N +ATOM 370 CE1 HIS A 38 -9.249 -4.695 27.172 1.00 58.75 C +ATOM 371 NE2 HIS A 38 -8.176 -4.509 27.936 1.00 57.35 N +ATOM 372 H HIS A 38 -5.661 -7.091 27.144 1.00 0.00 H +ATOM 373 HA HIS A 38 -6.861 -9.502 25.980 1.00 0.00 H +ATOM 374 HB3 HIS A 38 -7.812 -8.561 28.043 1.00 0.00 H +ATOM 375 HB2 HIS A 38 -8.967 -8.556 26.745 1.00 0.00 H +ATOM 376 HD2 HIS A 38 -6.651 -5.867 28.640 1.00 0.00 H +ATOM 377 HE1 HIS A 38 -9.910 -3.889 26.891 1.00 0.00 H +ATOM 378 HE2 HIS A 38 -7.864 -3.631 28.330 1.00 0.00 H +ATOM 379 N SER A 39 -7.496 -8.663 23.717 1.00 49.89 N +ATOM 380 CA SER A 39 -7.856 -8.235 22.370 1.00 45.41 C +ATOM 381 C SER A 39 -9.313 -7.757 22.350 1.00 41.77 C +ATOM 382 O SER A 39 -10.189 -8.452 22.866 1.00 42.08 O +ATOM 383 CB SER A 39 -7.625 -9.384 21.371 1.00 45.19 C +ATOM 384 OG SER A 39 -7.864 -8.945 20.048 1.00 47.29 O +ATOM 385 H SER A 39 -7.558 -9.652 23.911 1.00 0.00 H +ATOM 386 HA SER A 39 -7.208 -7.406 22.079 1.00 0.00 H +ATOM 387 HB3 SER A 39 -8.275 -10.233 21.589 1.00 0.00 H +ATOM 388 HB2 SER A 39 -6.598 -9.744 21.429 1.00 0.00 H +ATOM 389 HG SER A 39 -8.026 -9.710 19.489 1.00 0.00 H +ATOM 390 N ILE A 40 -9.532 -6.597 21.720 1.00 37.57 N +ATOM 391 CA ILE A 40 -10.864 -6.086 21.416 1.00 34.91 C +ATOM 392 C ILE A 40 -11.315 -6.469 19.993 1.00 33.66 C +ATOM 393 O ILE A 40 -12.495 -6.309 19.705 1.00 33.63 O +ATOM 394 CB ILE A 40 -10.951 -4.545 21.604 1.00 35.48 C +ATOM 395 CG1 ILE A 40 -9.988 -3.724 20.715 1.00 33.76 C +ATOM 396 CG2 ILE A 40 -10.791 -4.190 23.094 1.00 34.54 C +ATOM 397 CD1 ILE A 40 -10.363 -2.239 20.601 1.00 35.52 C +ATOM 398 H ILE A 40 -8.752 -6.085 21.326 1.00 0.00 H +ATOM 399 HA ILE A 40 -11.593 -6.534 22.094 1.00 0.00 H +ATOM 400 HB ILE A 40 -11.959 -4.241 21.320 1.00 0.00 H +ATOM 401 HG13 ILE A 40 -9.958 -4.129 19.706 1.00 0.00 H +ATOM 402 HG12 ILE A 40 -8.974 -3.810 21.100 1.00 0.00 H +ATOM 403 HG21 ILE A 40 -10.911 -3.124 23.279 1.00 0.00 H +ATOM 404 HG22 ILE A 40 -11.536 -4.705 23.700 1.00 0.00 H +ATOM 405 HG23 ILE A 40 -9.810 -4.483 23.465 1.00 0.00 H +ATOM 406 HD11 ILE A 40 -9.484 -1.603 20.706 1.00 0.00 H +ATOM 407 HD12 ILE A 40 -10.803 -2.021 19.628 1.00 0.00 H +ATOM 408 HD13 ILE A 40 -11.078 -1.933 21.362 1.00 0.00 H +ATOM 409 N VAL A 41 -10.407 -6.991 19.147 1.00 32.34 N +ATOM 410 CA VAL A 41 -10.695 -7.377 17.765 1.00 33.13 C +ATOM 411 C VAL A 41 -10.822 -8.909 17.643 1.00 33.37 C +ATOM 412 O VAL A 41 -9.916 -9.634 18.055 1.00 33.03 O +ATOM 413 CB VAL A 41 -9.571 -6.899 16.799 1.00 31.02 C +ATOM 414 CG1 VAL A 41 -9.742 -7.380 15.342 1.00 30.01 C +ATOM 415 CG2 VAL A 41 -9.443 -5.364 16.804 1.00 32.15 C +ATOM 416 H VAL A 41 -9.460 -7.149 19.463 1.00 0.00 H +ATOM 417 HA VAL A 41 -11.626 -6.914 17.434 1.00 0.00 H +ATOM 418 HB VAL A 41 -8.621 -7.302 17.153 1.00 0.00 H +ATOM 419 HG11 VAL A 41 -8.998 -6.928 14.689 1.00 0.00 H +ATOM 420 HG12 VAL A 41 -9.628 -8.459 15.240 1.00 0.00 H +ATOM 421 HG13 VAL A 41 -10.725 -7.106 14.959 1.00 0.00 H +ATOM 422 HG21 VAL A 41 -8.690 -5.030 16.091 1.00 0.00 H +ATOM 423 HG22 VAL A 41 -10.384 -4.884 16.540 1.00 0.00 H +ATOM 424 HG23 VAL A 41 -9.140 -4.991 17.781 1.00 0.00 H +ATOM 425 N GLU A 42 -11.923 -9.356 17.021 1.00 34.68 N +ATOM 426 CA GLU A 42 -12.137 -10.729 16.568 1.00 37.62 C +ATOM 427 C GLU A 42 -12.313 -10.712 15.048 1.00 37.62 C +ATOM 428 O GLU A 42 -13.102 -9.918 14.539 1.00 37.32 O +ATOM 429 CB GLU A 42 -13.386 -11.333 17.237 1.00 39.30 C +ATOM 430 CG GLU A 42 -13.176 -11.663 18.726 1.00 44.83 C +ATOM 431 CD GLU A 42 -14.418 -12.254 19.400 1.00 48.30 C +ATOM 432 OE1 GLU A 42 -15.237 -12.877 18.689 1.00 49.42 O +ATOM 433 OE2 GLU A 42 -14.523 -12.070 20.631 1.00 47.07 O1- +ATOM 434 H GLU A 42 -12.620 -8.688 16.715 1.00 0.00 H +ATOM 435 HA GLU A 42 -11.276 -11.357 16.806 1.00 0.00 H +ATOM 436 HB3 GLU A 42 -13.670 -12.244 16.706 1.00 0.00 H +ATOM 437 HB2 GLU A 42 -14.230 -10.650 17.132 1.00 0.00 H +ATOM 438 HG3 GLU A 42 -12.881 -10.765 19.269 1.00 0.00 H +ATOM 439 HG2 GLU A 42 -12.359 -12.375 18.837 1.00 0.00 H +ATOM 440 N CYS A 43 -11.593 -11.609 14.363 1.00 37.12 N +ATOM 441 CA CYS A 43 -11.632 -11.779 12.912 1.00 38.66 C +ATOM 442 C CYS A 43 -12.271 -13.137 12.593 1.00 40.09 C +ATOM 443 O CYS A 43 -11.959 -14.128 13.254 1.00 40.18 O +ATOM 444 CB CYS A 43 -10.214 -11.709 12.311 1.00 37.97 C +ATOM 445 SG CYS A 43 -9.617 -9.993 12.331 1.00 39.98 S +ATOM 446 H CYS A 43 -10.998 -12.254 14.862 1.00 0.00 H +ATOM 447 HA CYS A 43 -12.242 -11.002 12.446 1.00 0.00 H +ATOM 448 HB3 CYS A 43 -10.207 -12.061 11.280 1.00 0.00 H +ATOM 449 HB2 CYS A 43 -9.519 -12.341 12.864 1.00 0.00 H +ATOM 450 HG CYS A 43 -10.476 -9.535 11.417 1.00 0.00 H +ATOM 451 N ASP A 44 -13.125 -13.153 11.560 1.00 39.18 N +ATOM 452 CA ASP A 44 -13.779 -14.346 11.026 1.00 39.68 C +ATOM 453 C ASP A 44 -13.642 -14.263 9.491 1.00 37.75 C +ATOM 454 O ASP A 44 -14.503 -13.655 8.856 1.00 34.98 O +ATOM 455 CB ASP A 44 -15.246 -14.455 11.520 1.00 42.51 C +ATOM 456 CG ASP A 44 -15.947 -15.785 11.195 1.00 45.22 C +ATOM 457 OD1 ASP A 44 -15.670 -16.365 10.121 1.00 46.28 O +ATOM 458 OD2 ASP A 44 -16.835 -16.155 11.994 1.00 48.98 O1- +ATOM 459 H ASP A 44 -13.341 -12.289 11.077 1.00 0.00 H +ATOM 460 HA ASP A 44 -13.276 -15.244 11.386 1.00 0.00 H +ATOM 461 HB3 ASP A 44 -15.852 -13.635 11.131 1.00 0.00 H +ATOM 462 HB2 ASP A 44 -15.238 -14.349 12.606 1.00 0.00 H +ATOM 463 N PRO A 45 -12.564 -14.857 8.922 1.00 37.21 N +ATOM 464 CA PRO A 45 -12.334 -14.901 7.463 1.00 38.23 C +ATOM 465 C PRO A 45 -13.443 -15.549 6.613 1.00 39.60 C +ATOM 466 O PRO A 45 -13.681 -15.080 5.500 1.00 38.37 O +ATOM 467 CB PRO A 45 -11.016 -15.682 7.321 1.00 37.82 C +ATOM 468 CG PRO A 45 -10.296 -15.472 8.639 1.00 36.47 C +ATOM 469 CD PRO A 45 -11.438 -15.456 9.642 1.00 37.30 C +ATOM 470 HA PRO A 45 -12.183 -13.872 7.130 1.00 0.00 H +ATOM 471 HB3 PRO A 45 -10.423 -15.352 6.471 1.00 0.00 H +ATOM 472 HB2 PRO A 45 -11.206 -16.749 7.189 1.00 0.00 H +ATOM 473 HG3 PRO A 45 -9.802 -14.500 8.639 1.00 0.00 H +ATOM 474 HG2 PRO A 45 -9.544 -16.232 8.850 1.00 0.00 H +ATOM 475 HD2 PRO A 45 -11.709 -16.472 9.935 1.00 0.00 H +ATOM 476 HD3 PRO A 45 -11.143 -14.906 10.535 1.00 0.00 H +ATOM 477 N VAL A 46 -14.094 -16.602 7.138 1.00 40.68 N +ATOM 478 CA VAL A 46 -15.153 -17.348 6.449 1.00 42.73 C +ATOM 479 C VAL A 46 -16.414 -16.488 6.243 1.00 44.14 C +ATOM 480 O VAL A 46 -16.974 -16.484 5.146 1.00 44.76 O +ATOM 481 CB VAL A 46 -15.547 -18.638 7.225 1.00 45.34 C +ATOM 482 CG1 VAL A 46 -16.694 -19.443 6.575 1.00 45.35 C +ATOM 483 CG2 VAL A 46 -14.332 -19.560 7.434 1.00 45.25 C +ATOM 484 H VAL A 46 -13.871 -16.914 8.073 1.00 0.00 H +ATOM 485 HA VAL A 46 -14.776 -17.636 5.465 1.00 0.00 H +ATOM 486 HB VAL A 46 -15.890 -18.348 8.220 1.00 0.00 H +ATOM 487 HG11 VAL A 46 -16.862 -20.381 7.103 1.00 0.00 H +ATOM 488 HG12 VAL A 46 -17.641 -18.903 6.594 1.00 0.00 H +ATOM 489 HG13 VAL A 46 -16.465 -19.684 5.536 1.00 0.00 H +ATOM 490 HG21 VAL A 46 -14.611 -20.464 7.975 1.00 0.00 H +ATOM 491 HG22 VAL A 46 -13.899 -19.864 6.481 1.00 0.00 H +ATOM 492 HG23 VAL A 46 -13.548 -19.072 8.015 1.00 0.00 H +ATOM 493 N ARG A 47 -16.791 -15.738 7.291 1.00 43.50 N +ATOM 494 CA ARG A 47 -17.871 -14.754 7.266 1.00 44.40 C +ATOM 495 C ARG A 47 -17.461 -13.436 6.572 1.00 43.29 C +ATOM 496 O ARG A 47 -18.336 -12.645 6.222 1.00 42.55 O +ATOM 497 CB ARG A 47 -18.305 -14.495 8.722 1.00 46.46 C +ATOM 498 CG ARG A 47 -19.774 -14.074 8.877 1.00 51.87 C +ATOM 499 CD ARG A 47 -20.753 -15.255 8.956 1.00 55.57 C +ATOM 500 NE ARG A 47 -20.606 -15.973 10.233 1.00 59.35 N +ATOM 501 CZ ARG A 47 -21.209 -17.121 10.578 1.00 61.63 C +ATOM 502 NH1 ARG A 47 -22.049 -17.747 9.742 1.00 62.28 N +ATOM 503 NH2 ARG A 47 -20.961 -17.646 11.785 1.00 61.37 N1+ +ATOM 504 H ARG A 47 -16.286 -15.819 8.166 1.00 0.00 H +ATOM 505 HA ARG A 47 -18.712 -15.171 6.709 1.00 0.00 H +ATOM 506 HB3 ARG A 47 -17.655 -13.736 9.161 1.00 0.00 H +ATOM 507 HB2 ARG A 47 -18.145 -15.388 9.327 1.00 0.00 H +ATOM 508 HG3 ARG A 47 -20.094 -13.302 8.178 1.00 0.00 H +ATOM 509 HG2 ARG A 47 -19.816 -13.609 9.861 1.00 0.00 H +ATOM 510 HD3 ARG A 47 -20.461 -15.990 8.205 1.00 0.00 H +ATOM 511 HD2 ARG A 47 -21.778 -14.962 8.731 1.00 0.00 H +ATOM 512 HE ARG A 47 -19.981 -15.542 10.901 1.00 0.00 H +ATOM 513 HH12 ARG A 47 -22.498 -18.610 10.011 1.00 0.00 H +ATOM 514 HH11 ARG A 47 -22.237 -17.351 8.832 1.00 0.00 H +ATOM 515 HH22 ARG A 47 -21.402 -18.507 12.073 1.00 0.00 H +ATOM 516 HH21 ARG A 47 -20.312 -17.191 12.412 1.00 0.00 H +ATOM 517 N LYS A 48 -16.139 -13.226 6.412 1.00 42.41 N +ATOM 518 CA LYS A 48 -15.465 -12.017 5.930 1.00 40.29 C +ATOM 519 C LYS A 48 -15.717 -10.806 6.849 1.00 39.93 C +ATOM 520 O LYS A 48 -15.825 -9.682 6.358 1.00 39.37 O +ATOM 521 CB LYS A 48 -15.826 -11.715 4.459 1.00 41.78 C +ATOM 522 CG LYS A 48 -15.477 -12.828 3.465 1.00 43.17 C +ATOM 523 CD LYS A 48 -16.015 -12.512 2.062 1.00 45.52 C +ATOM 524 CE LYS A 48 -15.433 -13.413 0.965 1.00 47.46 C +ATOM 525 NZ LYS A 48 -15.775 -14.829 1.171 1.00 50.93 N1+ +ATOM 526 H LYS A 48 -15.512 -13.951 6.734 1.00 0.00 H +ATOM 527 HA LYS A 48 -14.394 -12.219 5.982 1.00 0.00 H +ATOM 528 HB3 LYS A 48 -15.277 -10.829 4.147 1.00 0.00 H +ATOM 529 HB2 LYS A 48 -16.885 -11.468 4.374 1.00 0.00 H +ATOM 530 HG3 LYS A 48 -15.880 -13.783 3.804 1.00 0.00 H +ATOM 531 HG2 LYS A 48 -14.394 -12.943 3.428 1.00 0.00 H +ATOM 532 HD3 LYS A 48 -15.813 -11.470 1.816 1.00 0.00 H +ATOM 533 HD2 LYS A 48 -17.102 -12.604 2.066 1.00 0.00 H +ATOM 534 HE3 LYS A 48 -14.347 -13.322 0.930 1.00 0.00 H +ATOM 535 HE2 LYS A 48 -15.812 -13.099 -0.009 1.00 0.00 H +ATOM 536 HZ1 LYS A 48 -15.405 -15.371 0.402 1.00 0.00 H +ATOM 537 HZ2 LYS A 48 -15.378 -15.152 2.042 1.00 0.00 H +ATOM 538 HZ3 LYS A 48 -16.779 -14.935 1.199 1.00 0.00 H +ATOM 539 N GLU A 49 -15.815 -11.064 8.163 1.00 38.53 N +ATOM 540 CA GLU A 49 -16.159 -10.077 9.178 1.00 39.11 C +ATOM 541 C GLU A 49 -14.998 -9.800 10.129 1.00 37.38 C +ATOM 542 O GLU A 49 -14.182 -10.679 10.402 1.00 35.68 O +ATOM 543 CB GLU A 49 -17.386 -10.550 9.979 1.00 41.64 C +ATOM 544 CG GLU A 49 -18.698 -10.433 9.184 1.00 47.78 C +ATOM 545 CD GLU A 49 -19.942 -10.842 9.976 1.00 51.12 C +ATOM 546 OE1 GLU A 49 -19.810 -11.150 11.182 1.00 50.60 O +ATOM 547 OE2 GLU A 49 -21.018 -10.863 9.342 1.00 52.69 O1- +ATOM 548 H GLU A 49 -15.672 -12.010 8.493 1.00 0.00 H +ATOM 549 HA GLU A 49 -16.414 -9.139 8.693 1.00 0.00 H +ATOM 550 HB3 GLU A 49 -17.478 -9.965 10.897 1.00 0.00 H +ATOM 551 HB2 GLU A 49 -17.240 -11.583 10.298 1.00 0.00 H +ATOM 552 HG3 GLU A 49 -18.648 -11.042 8.283 1.00 0.00 H +ATOM 553 HG2 GLU A 49 -18.836 -9.402 8.859 1.00 0.00 H +ATOM 554 N VAL A 50 -15.014 -8.570 10.654 1.00 35.62 N +ATOM 555 CA VAL A 50 -14.178 -8.098 11.742 1.00 35.40 C +ATOM 556 C VAL A 50 -15.098 -7.386 12.747 1.00 35.75 C +ATOM 557 O VAL A 50 -15.834 -6.471 12.375 1.00 34.76 O +ATOM 558 CB VAL A 50 -13.044 -7.164 11.237 1.00 35.70 C +ATOM 559 CG1 VAL A 50 -13.530 -5.950 10.430 1.00 37.29 C +ATOM 560 CG2 VAL A 50 -12.106 -6.704 12.366 1.00 33.58 C +ATOM 561 H VAL A 50 -15.727 -7.920 10.350 1.00 0.00 H +ATOM 562 HA VAL A 50 -13.717 -8.954 12.236 1.00 0.00 H +ATOM 563 HB VAL A 50 -12.440 -7.765 10.555 1.00 0.00 H +ATOM 564 HG11 VAL A 50 -12.694 -5.485 9.915 1.00 0.00 H +ATOM 565 HG12 VAL A 50 -14.248 -6.242 9.665 1.00 0.00 H +ATOM 566 HG13 VAL A 50 -13.995 -5.192 11.059 1.00 0.00 H +ATOM 567 HG21 VAL A 50 -11.264 -6.139 11.966 1.00 0.00 H +ATOM 568 HG22 VAL A 50 -12.613 -6.065 13.090 1.00 0.00 H +ATOM 569 HG23 VAL A 50 -11.701 -7.563 12.901 1.00 0.00 H +ATOM 570 N SER A 51 -15.059 -7.868 13.996 1.00 34.36 N +ATOM 571 CA SER A 51 -15.894 -7.410 15.096 1.00 34.46 C +ATOM 572 C SER A 51 -14.993 -6.766 16.154 1.00 35.79 C +ATOM 573 O SER A 51 -14.027 -7.397 16.581 1.00 35.89 O +ATOM 574 CB SER A 51 -16.671 -8.616 15.654 1.00 37.01 C +ATOM 575 OG SER A 51 -17.602 -8.199 16.629 1.00 39.31 O +ATOM 576 H SER A 51 -14.420 -8.622 14.215 1.00 0.00 H +ATOM 577 HA SER A 51 -16.616 -6.675 14.742 1.00 0.00 H +ATOM 578 HB3 SER A 51 -15.997 -9.354 16.091 1.00 0.00 H +ATOM 579 HB2 SER A 51 -17.215 -9.121 14.855 1.00 0.00 H +ATOM 580 HG SER A 51 -18.351 -7.798 16.181 1.00 0.00 H +ATOM 581 N VAL A 52 -15.332 -5.535 16.558 1.00 34.84 N +ATOM 582 CA VAL A 52 -14.566 -4.743 17.516 1.00 36.07 C +ATOM 583 C VAL A 52 -15.424 -4.486 18.761 1.00 36.69 C +ATOM 584 O VAL A 52 -16.529 -3.970 18.625 1.00 39.27 O +ATOM 585 CB VAL A 52 -14.167 -3.364 16.923 1.00 35.47 C +ATOM 586 CG1 VAL A 52 -13.390 -2.472 17.915 1.00 35.27 C +ATOM 587 CG2 VAL A 52 -13.343 -3.532 15.639 1.00 35.83 C +ATOM 588 H VAL A 52 -16.144 -5.082 16.157 1.00 0.00 H +ATOM 589 HA VAL A 52 -13.651 -5.260 17.799 1.00 0.00 H +ATOM 590 HB VAL A 52 -15.072 -2.821 16.642 1.00 0.00 H +ATOM 591 HG11 VAL A 52 -13.005 -1.576 17.429 1.00 0.00 H +ATOM 592 HG12 VAL A 52 -14.016 -2.135 18.742 1.00 0.00 H +ATOM 593 HG13 VAL A 52 -12.538 -3.006 18.336 1.00 0.00 H +ATOM 594 HG21 VAL A 52 -13.006 -2.563 15.277 1.00 0.00 H +ATOM 595 HG22 VAL A 52 -12.460 -4.148 15.808 1.00 0.00 H +ATOM 596 HG23 VAL A 52 -13.925 -3.994 14.841 1.00 0.00 H +ATOM 597 N ARG A 53 -14.882 -4.812 19.944 1.00 38.55 N +ATOM 598 CA ARG A 53 -15.482 -4.531 21.245 1.00 41.08 C +ATOM 599 C ARG A 53 -15.323 -3.043 21.589 1.00 42.23 C +ATOM 600 O ARG A 53 -14.192 -2.557 21.626 1.00 42.18 O +ATOM 601 CB ARG A 53 -14.833 -5.444 22.304 1.00 42.63 C +ATOM 602 CG ARG A 53 -15.606 -5.478 23.632 1.00 47.38 C +ATOM 603 CD ARG A 53 -15.017 -6.453 24.667 1.00 50.43 C +ATOM 604 NE ARG A 53 -13.751 -5.972 25.233 1.00 55.27 N +ATOM 605 CZ ARG A 53 -13.638 -5.006 26.159 1.00 56.95 C +ATOM 606 NH1 ARG A 53 -14.716 -4.381 26.653 1.00 59.72 N +ATOM 607 NH2 ARG A 53 -12.427 -4.668 26.609 1.00 58.53 N1+ +ATOM 608 H ARG A 53 -13.966 -5.244 19.961 1.00 0.00 H +ATOM 609 HA ARG A 53 -16.545 -4.762 21.189 1.00 0.00 H +ATOM 610 HB3 ARG A 53 -13.797 -5.156 22.480 1.00 0.00 H +ATOM 611 HB2 ARG A 53 -14.794 -6.456 21.907 1.00 0.00 H +ATOM 612 HG3 ARG A 53 -16.659 -5.700 23.471 1.00 0.00 H +ATOM 613 HG2 ARG A 53 -15.571 -4.470 24.045 1.00 0.00 H +ATOM 614 HD3 ARG A 53 -14.731 -7.362 24.138 1.00 0.00 H +ATOM 615 HD2 ARG A 53 -15.739 -6.765 25.422 1.00 0.00 H +ATOM 616 HE ARG A 53 -12.910 -6.397 24.869 1.00 0.00 H +ATOM 617 HH12 ARG A 53 -14.626 -3.676 27.372 1.00 0.00 H +ATOM 618 HH11 ARG A 53 -15.638 -4.634 26.327 1.00 0.00 H +ATOM 619 HH22 ARG A 53 -12.330 -3.942 27.303 1.00 0.00 H +ATOM 620 HH21 ARG A 53 -11.603 -5.156 26.284 1.00 0.00 H +ATOM 621 N THR A 54 -16.453 -2.357 21.815 1.00 44.25 N +ATOM 622 CA THR A 54 -16.507 -0.899 21.968 1.00 46.39 C +ATOM 623 C THR A 54 -16.852 -0.439 23.402 1.00 48.51 C +ATOM 624 O THR A 54 -17.005 0.762 23.617 1.00 47.93 O +ATOM 625 CB THR A 54 -17.504 -0.277 20.953 1.00 46.41 C +ATOM 626 CG2 THR A 54 -17.252 -0.756 19.516 1.00 45.46 C +ATOM 627 OG1 THR A 54 -18.862 -0.493 21.301 1.00 47.70 O +ATOM 628 H THR A 54 -17.346 -2.830 21.778 1.00 0.00 H +ATOM 629 HA THR A 54 -15.531 -0.467 21.750 1.00 0.00 H +ATOM 630 HB THR A 54 -17.350 0.804 20.956 1.00 0.00 H +ATOM 631 HG21 THR A 54 -17.712 -0.093 18.791 1.00 0.00 H +ATOM 632 HG22 THR A 54 -16.186 -0.785 19.288 1.00 0.00 H +ATOM 633 HG23 THR A 54 -17.654 -1.755 19.352 1.00 0.00 H +ATOM 634 HG1 THR A 54 -19.053 0.022 22.091 1.00 0.00 H +ATOM 635 N GLY A 55 -16.926 -1.376 24.359 1.00 50.52 N +ATOM 636 CA GLY A 55 -17.176 -1.076 25.766 1.00 54.71 C +ATOM 637 C GLY A 55 -17.772 -2.311 26.446 1.00 58.31 C +ATOM 638 O GLY A 55 -18.124 -3.287 25.786 1.00 58.28 O +ATOM 639 H GLY A 55 -16.805 -2.349 24.114 1.00 0.00 H +ATOM 640 HA3 GLY A 55 -17.874 -0.245 25.876 1.00 0.00 H +ATOM 641 HA2 GLY A 55 -16.239 -0.798 26.251 1.00 0.00 H +ATOM 642 N GLY A 56 -17.886 -2.255 27.781 1.00 60.67 N +ATOM 643 CA GLY A 56 -18.385 -3.352 28.609 1.00 63.02 C +ATOM 644 C GLY A 56 -17.211 -4.199 29.119 1.00 64.97 C +ATOM 645 O GLY A 56 -16.137 -3.677 29.416 1.00 66.30 O +ATOM 646 H GLY A 56 -17.580 -1.425 28.269 1.00 0.00 H +ATOM 647 HA3 GLY A 56 -19.106 -3.969 28.069 1.00 0.00 H +ATOM 648 HA2 GLY A 56 -18.911 -2.931 29.467 1.00 0.00 H +ATOM 649 N LEU A 57 -17.464 -5.507 29.269 1.00 65.39 N +ATOM 650 CA LEU A 57 -16.578 -6.521 29.843 1.00 66.24 C +ATOM 651 C LEU A 57 -16.391 -7.688 28.857 1.00 66.92 C +ATOM 652 O LEU A 57 -17.094 -7.780 27.853 1.00 67.15 O +ATOM 653 CB LEU A 57 -17.213 -7.057 31.158 1.00 65.98 C +ATOM 654 CG LEU A 57 -17.277 -6.075 32.352 1.00 66.38 C +ATOM 655 CD1 LEU A 57 -15.907 -5.458 32.694 1.00 66.32 C +ATOM 656 CD2 LEU A 57 -18.406 -5.028 32.244 1.00 66.04 C +ATOM 657 H LEU A 57 -18.372 -5.860 28.989 1.00 0.00 H +ATOM 658 HA LEU A 57 -15.589 -6.103 30.034 1.00 0.00 H +ATOM 659 HB3 LEU A 57 -16.632 -7.915 31.499 1.00 0.00 H +ATOM 660 HB2 LEU A 57 -18.210 -7.454 30.957 1.00 0.00 H +ATOM 661 HG LEU A 57 -17.545 -6.700 33.205 1.00 0.00 H +ATOM 662 HD11 LEU A 57 -15.761 -5.418 33.774 1.00 0.00 H +ATOM 663 HD12 LEU A 57 -15.083 -6.043 32.285 1.00 0.00 H +ATOM 664 HD13 LEU A 57 -15.806 -4.443 32.311 1.00 0.00 H +ATOM 665 HD21 LEU A 57 -18.991 -4.997 33.164 1.00 0.00 H +ATOM 666 HD22 LEU A 57 -18.024 -4.022 32.071 1.00 0.00 H +ATOM 667 HD23 LEU A 57 -19.101 -5.258 31.436 1.00 0.00 H +ATOM 668 N ALA A 58 -15.474 -8.612 29.187 1.00 67.23 N +ATOM 669 CA ALA A 58 -15.307 -9.884 28.472 1.00 66.48 C +ATOM 670 C ALA A 58 -16.476 -10.876 28.674 1.00 65.87 C +ATOM 671 O ALA A 58 -16.618 -11.795 27.869 1.00 66.21 O +ATOM 672 CB ALA A 58 -13.975 -10.517 28.897 1.00 67.06 C +ATOM 673 H ALA A 58 -14.915 -8.490 30.019 1.00 0.00 H +ATOM 674 HA ALA A 58 -15.246 -9.666 27.404 1.00 0.00 H +ATOM 675 HB1 ALA A 58 -13.794 -11.452 28.365 1.00 0.00 H +ATOM 676 HB2 ALA A 58 -13.138 -9.853 28.679 1.00 0.00 H +ATOM 677 HB3 ALA A 58 -13.961 -10.736 29.965 1.00 0.00 H +ATOM 678 N ASP A 59 -17.287 -10.663 29.727 1.00 64.61 N +ATOM 679 CA ASP A 59 -18.473 -11.451 30.075 1.00 62.91 C +ATOM 680 C ASP A 59 -19.747 -10.901 29.388 1.00 61.47 C +ATOM 681 O ASP A 59 -20.686 -11.664 29.163 1.00 60.79 O +ATOM 682 CB ASP A 59 -18.633 -11.468 31.619 1.00 64.61 C +ATOM 683 CG ASP A 59 -19.637 -12.481 32.187 1.00 65.60 C +ATOM 684 OD1 ASP A 59 -20.027 -12.277 33.357 1.00 65.91 O +ATOM 685 OD2 ASP A 59 -19.944 -13.473 31.490 1.00 67.03 O1- +ATOM 686 H ASP A 59 -17.085 -9.891 30.343 1.00 0.00 H +ATOM 687 HA ASP A 59 -18.321 -12.474 29.725 1.00 0.00 H +ATOM 688 HB3 ASP A 59 -18.938 -10.473 31.946 1.00 0.00 H +ATOM 689 HB2 ASP A 59 -17.667 -11.677 32.079 1.00 0.00 H +ATOM 690 N LYS A 60 -19.766 -9.595 29.068 1.00 60.27 N +ATOM 691 CA LYS A 60 -20.922 -8.878 28.530 1.00 58.55 C +ATOM 692 C LYS A 60 -20.426 -7.586 27.872 1.00 57.58 C +ATOM 693 O LYS A 60 -19.863 -6.752 28.576 1.00 58.16 O +ATOM 694 CB LYS A 60 -21.920 -8.584 29.681 1.00 58.27 C +ATOM 695 CG LYS A 60 -23.101 -7.658 29.319 1.00 57.51 C +ATOM 696 CD LYS A 60 -23.826 -7.120 30.560 1.00 57.75 C +ATOM 697 CE LYS A 60 -24.869 -6.053 30.202 1.00 57.66 C +ATOM 698 NZ LYS A 60 -25.472 -5.468 31.411 1.00 59.13 N1+ +ATOM 699 H LYS A 60 -18.946 -9.032 29.242 1.00 0.00 H +ATOM 700 HA LYS A 60 -21.411 -9.496 27.775 1.00 0.00 H +ATOM 701 HB3 LYS A 60 -21.362 -8.117 30.494 1.00 0.00 H +ATOM 702 HB2 LYS A 60 -22.307 -9.518 30.091 1.00 0.00 H +ATOM 703 HG3 LYS A 60 -23.803 -8.198 28.683 1.00 0.00 H +ATOM 704 HG2 LYS A 60 -22.769 -6.800 28.738 1.00 0.00 H +ATOM 705 HD3 LYS A 60 -23.098 -6.699 31.254 1.00 0.00 H +ATOM 706 HD2 LYS A 60 -24.309 -7.946 31.083 1.00 0.00 H +ATOM 707 HE3 LYS A 60 -25.655 -6.482 29.581 1.00 0.00 H +ATOM 708 HE2 LYS A 60 -24.407 -5.249 29.628 1.00 0.00 H +ATOM 709 HZ1 LYS A 60 -24.752 -5.036 31.974 1.00 0.00 H +ATOM 710 HZ2 LYS A 60 -26.154 -4.772 31.146 1.00 0.00 H +ATOM 711 HZ3 LYS A 60 -25.925 -6.195 31.947 1.00 0.00 H +ATOM 712 N SER A 61 -20.689 -7.407 26.568 1.00 55.59 N +ATOM 713 CA SER A 61 -20.257 -6.223 25.822 1.00 52.94 C +ATOM 714 C SER A 61 -21.047 -5.993 24.533 1.00 51.62 C +ATOM 715 O SER A 61 -21.553 -6.938 23.927 1.00 50.85 O +ATOM 716 CB SER A 61 -18.749 -6.301 25.512 1.00 53.73 C +ATOM 717 OG SER A 61 -18.405 -7.485 24.825 1.00 53.69 O +ATOM 718 H SER A 61 -21.176 -8.116 26.038 1.00 0.00 H +ATOM 719 HA SER A 61 -20.432 -5.347 26.450 1.00 0.00 H +ATOM 720 HB3 SER A 61 -18.152 -6.174 26.410 1.00 0.00 H +ATOM 721 HB2 SER A 61 -18.465 -5.487 24.851 1.00 0.00 H +ATOM 722 HG SER A 61 -18.854 -7.480 23.975 1.00 0.00 H +ATOM 723 N SER A 62 -21.047 -4.717 24.121 1.00 49.47 N +ATOM 724 CA SER A 62 -21.436 -4.243 22.798 1.00 48.07 C +ATOM 725 C SER A 62 -20.241 -4.323 21.830 1.00 46.24 C +ATOM 726 O SER A 62 -19.093 -4.154 22.253 1.00 45.55 O +ATOM 727 CB SER A 62 -21.970 -2.803 22.947 1.00 47.76 C +ATOM 728 OG SER A 62 -20.963 -1.890 23.347 1.00 48.25 O +ATOM 729 H SER A 62 -20.597 -4.018 24.696 1.00 0.00 H +ATOM 730 HA SER A 62 -22.243 -4.873 22.418 1.00 0.00 H +ATOM 731 HB3 SER A 62 -22.783 -2.770 23.673 1.00 0.00 H +ATOM 732 HB2 SER A 62 -22.386 -2.459 22.000 1.00 0.00 H +ATOM 733 HG SER A 62 -20.348 -1.773 22.618 1.00 0.00 H +ATOM 734 N ARG A 63 -20.544 -4.571 20.546 1.00 44.90 N +ATOM 735 CA ARG A 63 -19.556 -4.664 19.473 1.00 44.08 C +ATOM 736 C ARG A 63 -20.081 -3.994 18.192 1.00 42.93 C +ATOM 737 O ARG A 63 -21.289 -3.994 17.956 1.00 42.40 O +ATOM 738 CB ARG A 63 -19.193 -6.143 19.188 1.00 45.10 C +ATOM 739 CG ARG A 63 -18.784 -6.990 20.414 1.00 45.50 C +ATOM 740 CD ARG A 63 -18.292 -8.398 20.046 1.00 47.24 C +ATOM 741 NE ARG A 63 -16.966 -8.379 19.416 1.00 48.56 N +ATOM 742 CZ ARG A 63 -15.785 -8.553 20.027 1.00 50.82 C +ATOM 743 NH1 ARG A 63 -14.659 -8.453 19.313 1.00 50.08 N +ATOM 744 NH2 ARG A 63 -15.704 -8.839 21.332 1.00 53.19 N1+ +ATOM 745 H ARG A 63 -21.508 -4.686 20.263 1.00 0.00 H +ATOM 746 HA ARG A 63 -18.664 -4.124 19.781 1.00 0.00 H +ATOM 747 HB3 ARG A 63 -18.385 -6.162 18.455 1.00 0.00 H +ATOM 748 HB2 ARG A 63 -20.042 -6.634 18.710 1.00 0.00 H +ATOM 749 HG3 ARG A 63 -19.565 -7.055 21.172 1.00 0.00 H +ATOM 750 HG2 ARG A 63 -17.951 -6.468 20.883 1.00 0.00 H +ATOM 751 HD3 ARG A 63 -18.928 -8.741 19.229 1.00 0.00 H +ATOM 752 HD2 ARG A 63 -18.420 -9.142 20.830 1.00 0.00 H +ATOM 753 HE ARG A 63 -16.975 -8.202 18.416 1.00 0.00 H +ATOM 754 HH12 ARG A 63 -13.760 -8.597 19.751 1.00 0.00 H +ATOM 755 HH11 ARG A 63 -14.690 -8.229 18.327 1.00 0.00 H +ATOM 756 HH22 ARG A 63 -14.809 -9.044 21.752 1.00 0.00 H +ATOM 757 HH21 ARG A 63 -16.547 -8.993 21.876 1.00 0.00 H +ATOM 758 N LYS A 64 -19.148 -3.485 17.371 1.00 42.57 N +ATOM 759 CA LYS A 64 -19.392 -3.019 16.005 1.00 41.26 C +ATOM 760 C LYS A 64 -18.783 -4.032 15.029 1.00 38.78 C +ATOM 761 O LYS A 64 -17.595 -4.331 15.142 1.00 38.88 O +ATOM 762 CB LYS A 64 -18.752 -1.629 15.791 1.00 43.63 C +ATOM 763 CG LYS A 64 -19.497 -0.480 16.491 1.00 47.59 C +ATOM 764 CD LYS A 64 -18.881 0.892 16.155 1.00 49.93 C +ATOM 765 CE LYS A 64 -19.502 2.075 16.917 1.00 51.92 C +ATOM 766 NZ LYS A 64 -19.097 2.095 18.333 1.00 52.03 N1+ +ATOM 767 H LYS A 64 -18.174 -3.540 17.644 1.00 0.00 H +ATOM 768 HA LYS A 64 -20.464 -2.941 15.809 1.00 0.00 H +ATOM 769 HB3 LYS A 64 -18.747 -1.408 14.722 1.00 0.00 H +ATOM 770 HB2 LYS A 64 -17.705 -1.644 16.098 1.00 0.00 H +ATOM 771 HG3 LYS A 64 -19.507 -0.647 17.567 1.00 0.00 H +ATOM 772 HG2 LYS A 64 -20.542 -0.486 16.180 1.00 0.00 H +ATOM 773 HD3 LYS A 64 -18.994 1.073 15.086 1.00 0.00 H +ATOM 774 HD2 LYS A 64 -17.808 0.872 16.335 1.00 0.00 H +ATOM 775 HE3 LYS A 64 -20.590 2.055 16.844 1.00 0.00 H +ATOM 776 HE2 LYS A 64 -19.169 3.010 16.465 1.00 0.00 H +ATOM 777 HZ1 LYS A 64 -19.478 2.906 18.804 1.00 0.00 H +ATOM 778 HZ2 LYS A 64 -19.424 1.261 18.798 1.00 0.00 H +ATOM 779 HZ3 LYS A 64 -18.090 2.139 18.394 1.00 0.00 H +ATOM 780 N THR A 65 -19.605 -4.522 14.089 1.00 38.63 N +ATOM 781 CA THR A 65 -19.210 -5.479 13.055 1.00 37.37 C +ATOM 782 C THR A 65 -19.191 -4.796 11.677 1.00 37.22 C +ATOM 783 O THR A 65 -20.000 -3.906 11.408 1.00 36.21 O +ATOM 784 CB THR A 65 -20.199 -6.674 12.986 1.00 38.99 C +ATOM 785 CG2 THR A 65 -20.273 -7.468 14.297 1.00 37.71 C +ATOM 786 OG1 THR A 65 -21.511 -6.280 12.621 1.00 41.01 O +ATOM 787 H THR A 65 -20.568 -4.220 14.053 1.00 0.00 H +ATOM 788 HA THR A 65 -18.216 -5.873 13.261 1.00 0.00 H +ATOM 789 HB THR A 65 -19.857 -7.363 12.211 1.00 0.00 H +ATOM 790 HG21 THR A 65 -20.959 -8.310 14.205 1.00 0.00 H +ATOM 791 HG22 THR A 65 -19.296 -7.871 14.553 1.00 0.00 H +ATOM 792 HG23 THR A 65 -20.615 -6.852 15.130 1.00 0.00 H +ATOM 793 HG1 THR A 65 -21.483 -5.893 11.742 1.00 0.00 H +ATOM 794 N TYR A 66 -18.253 -5.250 10.836 1.00 35.89 N +ATOM 795 CA TYR A 66 -18.036 -4.769 9.476 1.00 35.61 C +ATOM 796 C TYR A 66 -17.725 -5.975 8.593 1.00 34.68 C +ATOM 797 O TYR A 66 -16.869 -6.775 8.970 1.00 34.69 O +ATOM 798 CB TYR A 66 -16.826 -3.814 9.446 1.00 35.24 C +ATOM 799 CG TYR A 66 -16.906 -2.602 10.345 1.00 35.81 C +ATOM 800 CD1 TYR A 66 -16.394 -2.666 11.658 1.00 36.83 C +ATOM 801 CD2 TYR A 66 -17.490 -1.410 9.873 1.00 36.87 C +ATOM 802 CE1 TYR A 66 -16.483 -1.547 12.506 1.00 37.60 C +ATOM 803 CE2 TYR A 66 -17.576 -0.292 10.720 1.00 38.67 C +ATOM 804 CZ TYR A 66 -17.078 -0.361 12.038 1.00 38.55 C +ATOM 805 OH TYR A 66 -17.175 0.717 12.867 1.00 40.55 O +ATOM 806 H TYR A 66 -17.617 -5.973 11.145 1.00 0.00 H +ATOM 807 HA TYR A 66 -18.922 -4.257 9.095 1.00 0.00 H +ATOM 808 HB3 TYR A 66 -16.650 -3.473 8.424 1.00 0.00 H +ATOM 809 HB2 TYR A 66 -15.936 -4.365 9.747 1.00 0.00 H +ATOM 810 HD1 TYR A 66 -15.944 -3.578 12.024 1.00 0.00 H +ATOM 811 HD2 TYR A 66 -17.881 -1.353 8.867 1.00 0.00 H +ATOM 812 HE1 TYR A 66 -16.100 -1.605 13.515 1.00 0.00 H +ATOM 813 HE2 TYR A 66 -18.037 0.610 10.350 1.00 0.00 H +ATOM 814 HH TYR A 66 -17.620 1.466 12.448 1.00 0.00 H +ATOM 815 N THR A 67 -18.372 -6.052 7.422 1.00 34.56 N +ATOM 816 CA THR A 67 -18.046 -7.028 6.385 1.00 35.90 C +ATOM 817 C THR A 67 -17.138 -6.364 5.335 1.00 34.33 C +ATOM 818 O THR A 67 -17.337 -5.195 5.002 1.00 36.54 O +ATOM 819 CB THR A 67 -19.320 -7.558 5.675 1.00 35.84 C +ATOM 820 CG2 THR A 67 -19.067 -8.568 4.536 1.00 38.08 C +ATOM 821 OG1 THR A 67 -20.139 -8.201 6.632 1.00 40.38 O +ATOM 822 H THR A 67 -19.063 -5.357 7.180 1.00 0.00 H +ATOM 823 HA THR A 67 -17.526 -7.879 6.824 1.00 0.00 H +ATOM 824 HB THR A 67 -19.893 -6.719 5.277 1.00 0.00 H +ATOM 825 HG21 THR A 67 -20.005 -8.985 4.170 1.00 0.00 H +ATOM 826 HG22 THR A 67 -18.572 -8.107 3.682 1.00 0.00 H +ATOM 827 HG23 THR A 67 -18.446 -9.399 4.874 1.00 0.00 H +ATOM 828 HG1 THR A 67 -19.717 -9.018 6.911 1.00 0.00 H +ATOM 829 N PHE A 68 -16.166 -7.136 4.834 1.00 33.30 N +ATOM 830 CA PHE A 68 -15.207 -6.746 3.800 1.00 34.46 C +ATOM 831 C PHE A 68 -15.161 -7.810 2.694 1.00 35.45 C +ATOM 832 O PHE A 68 -15.831 -8.837 2.807 1.00 35.78 O +ATOM 833 CB PHE A 68 -13.832 -6.524 4.462 1.00 32.88 C +ATOM 834 CG PHE A 68 -13.772 -5.275 5.317 1.00 32.39 C +ATOM 835 CD1 PHE A 68 -14.024 -5.338 6.704 1.00 30.02 C +ATOM 836 CD2 PHE A 68 -13.635 -4.016 4.701 1.00 32.12 C +ATOM 837 CE1 PHE A 68 -14.058 -4.166 7.447 1.00 32.75 C +ATOM 838 CE2 PHE A 68 -13.676 -2.862 5.467 1.00 32.46 C +ATOM 839 CZ PHE A 68 -13.881 -2.935 6.836 1.00 30.39 C +ATOM 840 H PHE A 68 -16.075 -8.088 5.168 1.00 0.00 H +ATOM 841 HA PHE A 68 -15.520 -5.821 3.316 1.00 0.00 H +ATOM 842 HB3 PHE A 68 -13.051 -6.439 3.709 1.00 0.00 H +ATOM 843 HB2 PHE A 68 -13.561 -7.388 5.069 1.00 0.00 H +ATOM 844 HD1 PHE A 68 -14.182 -6.290 7.189 1.00 0.00 H +ATOM 845 HD2 PHE A 68 -13.499 -3.949 3.632 1.00 0.00 H +ATOM 846 HE1 PHE A 68 -14.207 -4.202 8.510 1.00 0.00 H +ATOM 847 HE2 PHE A 68 -13.545 -1.908 4.989 1.00 0.00 H +ATOM 848 HZ PHE A 68 -13.906 -2.033 7.428 1.00 0.00 H +ATOM 849 N ASP A 69 -14.380 -7.551 1.631 1.00 35.34 N +ATOM 850 CA ASP A 69 -14.105 -8.524 0.566 1.00 36.28 C +ATOM 851 C ASP A 69 -13.267 -9.718 1.053 1.00 36.61 C +ATOM 852 O ASP A 69 -13.540 -10.835 0.618 1.00 37.28 O +ATOM 853 CB ASP A 69 -13.506 -7.911 -0.719 1.00 36.93 C +ATOM 854 CG ASP A 69 -14.353 -6.783 -1.314 1.00 38.87 C +ATOM 855 OD1 ASP A 69 -14.301 -5.661 -0.764 1.00 40.13 O +ATOM 856 OD2 ASP A 69 -15.018 -7.061 -2.336 1.00 42.22 O1- +ATOM 857 H ASP A 69 -13.870 -6.679 1.569 1.00 0.00 H +ATOM 858 HA ASP A 69 -15.073 -8.938 0.276 1.00 0.00 H +ATOM 859 HB3 ASP A 69 -13.377 -8.681 -1.482 1.00 0.00 H +ATOM 860 HB2 ASP A 69 -12.497 -7.531 -0.550 1.00 0.00 H +ATOM 861 N MET A 70 -12.317 -9.479 1.974 1.00 36.59 N +ATOM 862 CA MET A 70 -11.625 -10.509 2.756 1.00 35.56 C +ATOM 863 C MET A 70 -11.257 -9.950 4.138 1.00 34.74 C +ATOM 864 O MET A 70 -11.215 -8.735 4.321 1.00 31.88 O +ATOM 865 CB MET A 70 -10.368 -11.059 2.031 1.00 39.47 C +ATOM 866 CG MET A 70 -10.656 -11.832 0.734 1.00 45.06 C +ATOM 867 SD MET A 70 -9.244 -12.698 0.000 1.00 51.52 S +ATOM 868 CE MET A 70 -8.416 -11.310 -0.806 1.00 51.68 C +ATOM 869 H MET A 70 -12.155 -8.529 2.276 1.00 0.00 H +ATOM 870 HA MET A 70 -12.327 -11.326 2.927 1.00 0.00 H +ATOM 871 HB3 MET A 70 -9.829 -11.730 2.701 1.00 0.00 H +ATOM 872 HB2 MET A 70 -9.674 -10.249 1.822 1.00 0.00 H +ATOM 873 HG3 MET A 70 -11.057 -11.164 -0.027 1.00 0.00 H +ATOM 874 HG2 MET A 70 -11.423 -12.581 0.930 1.00 0.00 H +ATOM 875 HE1 MET A 70 -7.654 -11.676 -1.492 1.00 0.00 H +ATOM 876 HE2 MET A 70 -9.123 -10.705 -1.372 1.00 0.00 H +ATOM 877 HE3 MET A 70 -7.940 -10.689 -0.053 1.00 0.00 H +ATOM 878 N VAL A 71 -10.981 -10.849 5.093 1.00 32.66 N +ATOM 879 CA VAL A 71 -10.461 -10.492 6.412 1.00 31.78 C +ATOM 880 C VAL A 71 -9.402 -11.522 6.832 1.00 32.81 C +ATOM 881 O VAL A 71 -9.604 -12.723 6.655 1.00 31.61 O +ATOM 882 CB VAL A 71 -11.571 -10.395 7.501 1.00 31.25 C +ATOM 883 CG1 VAL A 71 -11.023 -10.178 8.927 1.00 33.70 C +ATOM 884 CG2 VAL A 71 -12.573 -9.271 7.181 1.00 33.69 C +ATOM 885 H VAL A 71 -11.050 -11.838 4.890 1.00 0.00 H +ATOM 886 HA VAL A 71 -9.967 -9.522 6.350 1.00 0.00 H +ATOM 887 HB VAL A 71 -12.133 -11.331 7.510 1.00 0.00 H +ATOM 888 HG11 VAL A 71 -11.822 -10.003 9.643 1.00 0.00 H +ATOM 889 HG12 VAL A 71 -10.471 -11.046 9.283 1.00 0.00 H +ATOM 890 HG13 VAL A 71 -10.357 -9.315 8.967 1.00 0.00 H +ATOM 891 HG21 VAL A 71 -13.312 -9.154 7.970 1.00 0.00 H +ATOM 892 HG22 VAL A 71 -12.071 -8.311 7.063 1.00 0.00 H +ATOM 893 HG23 VAL A 71 -13.119 -9.475 6.262 1.00 0.00 H +ATOM 894 N PHE A 72 -8.298 -11.007 7.388 1.00 31.41 N +ATOM 895 CA PHE A 72 -7.141 -11.755 7.859 1.00 30.44 C +ATOM 896 C PHE A 72 -6.920 -11.443 9.345 1.00 33.41 C +ATOM 897 O PHE A 72 -6.891 -10.273 9.726 1.00 34.20 O +ATOM 898 CB PHE A 72 -5.915 -11.354 7.012 1.00 31.40 C +ATOM 899 CG PHE A 72 -6.001 -11.784 5.558 1.00 31.93 C +ATOM 900 CD1 PHE A 72 -5.784 -13.131 5.196 1.00 29.89 C +ATOM 901 CD2 PHE A 72 -6.480 -10.881 4.586 1.00 33.00 C +ATOM 902 CE1 PHE A 72 -6.004 -13.541 3.889 1.00 31.75 C +ATOM 903 CE2 PHE A 72 -6.710 -11.313 3.289 1.00 32.57 C +ATOM 904 CZ PHE A 72 -6.485 -12.639 2.948 1.00 33.90 C +ATOM 905 H PHE A 72 -8.220 -10.001 7.470 1.00 0.00 H +ATOM 906 HA PHE A 72 -7.304 -12.829 7.752 1.00 0.00 H +ATOM 907 HB3 PHE A 72 -5.014 -11.773 7.449 1.00 0.00 H +ATOM 908 HB2 PHE A 72 -5.770 -10.275 7.041 1.00 0.00 H +ATOM 909 HD1 PHE A 72 -5.461 -13.849 5.935 1.00 0.00 H +ATOM 910 HD2 PHE A 72 -6.695 -9.855 4.851 1.00 0.00 H +ATOM 911 HE1 PHE A 72 -5.836 -14.571 3.610 1.00 0.00 H +ATOM 912 HE2 PHE A 72 -7.091 -10.624 2.549 1.00 0.00 H +ATOM 913 HZ PHE A 72 -6.712 -12.963 1.946 1.00 0.00 H +ATOM 914 N GLY A 73 -6.768 -12.503 10.153 1.00 33.64 N +ATOM 915 CA GLY A 73 -6.531 -12.406 11.592 1.00 32.52 C +ATOM 916 C GLY A 73 -5.030 -12.351 11.901 1.00 32.30 C +ATOM 917 O GLY A 73 -4.184 -12.397 11.008 1.00 31.71 O +ATOM 918 H GLY A 73 -6.807 -13.432 9.758 1.00 0.00 H +ATOM 919 HA3 GLY A 73 -6.967 -13.281 12.075 1.00 0.00 H +ATOM 920 HA2 GLY A 73 -7.024 -11.531 12.015 1.00 0.00 H +ATOM 921 N ALA A 74 -4.719 -12.275 13.204 1.00 32.62 N +ATOM 922 CA ALA A 74 -3.376 -12.245 13.794 1.00 32.76 C +ATOM 923 C ALA A 74 -2.442 -13.408 13.404 1.00 33.54 C +ATOM 924 O ALA A 74 -1.227 -13.215 13.390 1.00 34.23 O +ATOM 925 CB ALA A 74 -3.543 -12.192 15.319 1.00 33.34 C +ATOM 926 H ALA A 74 -5.478 -12.212 13.871 1.00 0.00 H +ATOM 927 HA ALA A 74 -2.886 -11.327 13.472 1.00 0.00 H +ATOM 928 HB1 ALA A 74 -2.603 -12.363 15.839 1.00 0.00 H +ATOM 929 HB2 ALA A 74 -3.927 -11.221 15.635 1.00 0.00 H +ATOM 930 HB3 ALA A 74 -4.241 -12.953 15.671 1.00 0.00 H +ATOM 931 N SER A 75 -3.017 -14.579 13.089 1.00 34.01 N +ATOM 932 CA SER A 75 -2.301 -15.790 12.681 1.00 34.43 C +ATOM 933 C SER A 75 -1.821 -15.791 11.214 1.00 34.89 C +ATOM 934 O SER A 75 -1.033 -16.669 10.862 1.00 35.01 O +ATOM 935 CB SER A 75 -3.207 -17.002 12.987 1.00 34.37 C +ATOM 936 OG SER A 75 -4.333 -17.058 12.130 1.00 36.98 O +ATOM 937 H SER A 75 -4.023 -14.659 13.120 1.00 0.00 H +ATOM 938 HA SER A 75 -1.412 -15.879 13.308 1.00 0.00 H +ATOM 939 HB3 SER A 75 -3.548 -16.978 14.023 1.00 0.00 H +ATOM 940 HB2 SER A 75 -2.644 -17.929 12.869 1.00 0.00 H +ATOM 941 HG SER A 75 -4.044 -17.351 11.262 1.00 0.00 H +ATOM 942 N THR A 76 -2.312 -14.848 10.390 1.00 34.17 N +ATOM 943 CA THR A 76 -2.058 -14.780 8.949 1.00 32.21 C +ATOM 944 C THR A 76 -0.578 -14.505 8.629 1.00 32.29 C +ATOM 945 O THR A 76 -0.036 -13.490 9.063 1.00 33.66 O +ATOM 946 CB THR A 76 -2.907 -13.667 8.281 1.00 32.67 C +ATOM 947 CG2 THR A 76 -2.704 -13.493 6.766 1.00 30.68 C +ATOM 948 OG1 THR A 76 -4.271 -13.960 8.502 1.00 34.27 O +ATOM 949 H THR A 76 -2.933 -14.145 10.763 1.00 0.00 H +ATOM 950 HA THR A 76 -2.346 -15.741 8.516 1.00 0.00 H +ATOM 951 HB THR A 76 -2.695 -12.713 8.763 1.00 0.00 H +ATOM 952 HG21 THR A 76 -3.261 -12.641 6.383 1.00 0.00 H +ATOM 953 HG22 THR A 76 -1.666 -13.306 6.508 1.00 0.00 H +ATOM 954 HG23 THR A 76 -3.042 -14.376 6.228 1.00 0.00 H +ATOM 955 HG1 THR A 76 -4.457 -13.822 9.435 1.00 0.00 H +ATOM 956 N LYS A 77 0.023 -15.410 7.847 1.00 29.27 N +ATOM 957 CA LYS A 77 1.395 -15.313 7.358 1.00 30.93 C +ATOM 958 C LYS A 77 1.456 -14.497 6.057 1.00 29.85 C +ATOM 959 O LYS A 77 0.435 -14.297 5.398 1.00 28.59 O +ATOM 960 CB LYS A 77 1.941 -16.743 7.159 1.00 30.84 C +ATOM 961 CG LYS A 77 2.113 -17.554 8.461 1.00 33.75 C +ATOM 962 CD LYS A 77 3.245 -17.065 9.387 1.00 39.24 C +ATOM 963 CE LYS A 77 4.655 -17.294 8.817 1.00 41.33 C +ATOM 964 NZ LYS A 77 5.693 -16.792 9.730 1.00 40.00 N1+ +ATOM 965 H LYS A 77 -0.511 -16.203 7.505 1.00 0.00 H +ATOM 966 HA LYS A 77 2.010 -14.793 8.092 1.00 0.00 H +ATOM 967 HB3 LYS A 77 2.896 -16.701 6.639 1.00 0.00 H +ATOM 968 HB2 LYS A 77 1.277 -17.288 6.487 1.00 0.00 H +ATOM 969 HG3 LYS A 77 2.288 -18.600 8.206 1.00 0.00 H +ATOM 970 HG2 LYS A 77 1.175 -17.548 9.018 1.00 0.00 H +ATOM 971 HD3 LYS A 77 3.159 -17.582 10.344 1.00 0.00 H +ATOM 972 HD2 LYS A 77 3.112 -16.008 9.618 1.00 0.00 H +ATOM 973 HE3 LYS A 77 4.780 -16.790 7.860 1.00 0.00 H +ATOM 974 HE2 LYS A 77 4.825 -18.357 8.644 1.00 0.00 H +ATOM 975 HZ1 LYS A 77 5.593 -17.221 10.637 1.00 0.00 H +ATOM 976 HZ2 LYS A 77 6.605 -17.004 9.354 1.00 0.00 H +ATOM 977 HZ3 LYS A 77 5.594 -15.790 9.809 1.00 0.00 H +ATOM 978 N GLN A 78 2.668 -14.046 5.697 1.00 28.05 N +ATOM 979 CA GLN A 78 2.929 -13.281 4.474 1.00 27.78 C +ATOM 980 C GLN A 78 2.603 -14.058 3.186 1.00 28.95 C +ATOM 981 O GLN A 78 2.114 -13.455 2.232 1.00 25.92 O +ATOM 982 CB GLN A 78 4.404 -12.860 4.429 1.00 27.45 C +ATOM 983 CG GLN A 78 4.871 -11.985 5.611 1.00 25.90 C +ATOM 984 CD GLN A 78 4.491 -10.516 5.473 1.00 24.67 C +ATOM 985 NE2 GLN A 78 5.448 -9.618 5.637 1.00 22.88 N +ATOM 986 OE1 GLN A 78 3.334 -10.180 5.247 1.00 25.98 O +ATOM 987 H GLN A 78 3.468 -14.243 6.282 1.00 0.00 H +ATOM 988 HA GLN A 78 2.299 -12.390 4.491 1.00 0.00 H +ATOM 989 HB3 GLN A 78 4.576 -12.330 3.493 1.00 0.00 H +ATOM 990 HB2 GLN A 78 5.032 -13.749 4.384 1.00 0.00 H +ATOM 991 HG3 GLN A 78 5.951 -12.058 5.667 1.00 0.00 H +ATOM 992 HG2 GLN A 78 4.485 -12.346 6.562 1.00 0.00 H +ATOM 993 HE22 GLN A 78 5.226 -8.621 5.578 1.00 0.00 H +ATOM 994 HE21 GLN A 78 6.410 -9.874 5.841 1.00 0.00 H +ATOM 995 N ILE A 79 2.855 -15.379 3.195 1.00 27.36 N +ATOM 996 CA ILE A 79 2.510 -16.298 2.111 1.00 29.06 C +ATOM 997 C ILE A 79 0.986 -16.417 1.890 1.00 27.29 C +ATOM 998 O ILE A 79 0.565 -16.517 0.739 1.00 27.78 O +ATOM 999 CB ILE A 79 3.130 -17.711 2.348 1.00 30.11 C +ATOM 1000 CG1 ILE A 79 2.959 -18.694 1.165 1.00 32.36 C +ATOM 1001 CG2 ILE A 79 2.659 -18.396 3.648 1.00 27.95 C +ATOM 1002 CD1 ILE A 79 3.467 -18.173 -0.189 1.00 34.09 C +ATOM 1003 H ILE A 79 3.279 -15.797 4.013 1.00 0.00 H +ATOM 1004 HA ILE A 79 2.943 -15.876 1.202 1.00 0.00 H +ATOM 1005 HB ILE A 79 4.204 -17.550 2.455 1.00 0.00 H +ATOM 1006 HG13 ILE A 79 1.913 -18.982 1.074 1.00 0.00 H +ATOM 1007 HG12 ILE A 79 3.493 -19.618 1.392 1.00 0.00 H +ATOM 1008 HG21 ILE A 79 3.241 -19.296 3.846 1.00 0.00 H +ATOM 1009 HG22 ILE A 79 2.773 -17.747 4.514 1.00 0.00 H +ATOM 1010 HG23 ILE A 79 1.613 -18.697 3.595 1.00 0.00 H +ATOM 1011 HD11 ILE A 79 3.495 -18.975 -0.927 1.00 0.00 H +ATOM 1012 HD12 ILE A 79 2.827 -17.389 -0.594 1.00 0.00 H +ATOM 1013 HD13 ILE A 79 4.477 -17.773 -0.109 1.00 0.00 H +ATOM 1014 N ASP A 80 0.196 -16.342 2.977 1.00 28.59 N +ATOM 1015 CA ASP A 80 -1.271 -16.338 2.959 1.00 27.29 C +ATOM 1016 C ASP A 80 -1.828 -15.097 2.245 1.00 29.89 C +ATOM 1017 O ASP A 80 -2.691 -15.253 1.383 1.00 27.87 O +ATOM 1018 CB ASP A 80 -1.924 -16.469 4.357 1.00 28.62 C +ATOM 1019 CG ASP A 80 -1.379 -17.580 5.261 1.00 31.56 C +ATOM 1020 OD1 ASP A 80 -1.607 -17.463 6.485 1.00 29.84 O +ATOM 1021 OD2 ASP A 80 -0.795 -18.548 4.728 1.00 31.94 O1- +ATOM 1022 H ASP A 80 0.620 -16.255 3.890 1.00 0.00 H +ATOM 1023 HA ASP A 80 -1.577 -17.209 2.375 1.00 0.00 H +ATOM 1024 HB3 ASP A 80 -3.000 -16.617 4.249 1.00 0.00 H +ATOM 1025 HB2 ASP A 80 -1.772 -15.531 4.884 1.00 0.00 H +ATOM 1026 N VAL A 81 -1.290 -13.907 2.579 1.00 26.47 N +ATOM 1027 CA VAL A 81 -1.615 -12.631 1.930 1.00 27.06 C +ATOM 1028 C VAL A 81 -1.236 -12.628 0.436 1.00 27.68 C +ATOM 1029 O VAL A 81 -2.031 -12.167 -0.381 1.00 27.78 O +ATOM 1030 CB VAL A 81 -0.908 -11.421 2.618 1.00 26.45 C +ATOM 1031 CG1 VAL A 81 -1.175 -10.055 1.944 1.00 26.19 C +ATOM 1032 CG2 VAL A 81 -1.285 -11.326 4.107 1.00 24.32 C +ATOM 1033 H VAL A 81 -0.584 -13.872 3.302 1.00 0.00 H +ATOM 1034 HA VAL A 81 -2.695 -12.489 2.003 1.00 0.00 H +ATOM 1035 HB VAL A 81 0.171 -11.580 2.578 1.00 0.00 H +ATOM 1036 HG11 VAL A 81 -0.742 -9.241 2.526 1.00 0.00 H +ATOM 1037 HG12 VAL A 81 -0.730 -9.987 0.951 1.00 0.00 H +ATOM 1038 HG13 VAL A 81 -2.243 -9.860 1.846 1.00 0.00 H +ATOM 1039 HG21 VAL A 81 -0.819 -10.461 4.578 1.00 0.00 H +ATOM 1040 HG22 VAL A 81 -2.364 -11.242 4.244 1.00 0.00 H +ATOM 1041 HG23 VAL A 81 -0.943 -12.200 4.657 1.00 0.00 H +ATOM 1042 N TYR A 82 -0.049 -13.163 0.102 1.00 31.58 N +ATOM 1043 CA TYR A 82 0.439 -13.213 -1.273 1.00 34.08 C +ATOM 1044 C TYR A 82 -0.418 -14.111 -2.183 1.00 34.35 C +ATOM 1045 O TYR A 82 -0.806 -13.667 -3.260 1.00 35.44 O +ATOM 1046 CB TYR A 82 1.930 -13.600 -1.320 1.00 37.56 C +ATOM 1047 CG TYR A 82 2.524 -13.406 -2.700 1.00 40.86 C +ATOM 1048 CD1 TYR A 82 2.523 -14.466 -3.631 1.00 42.74 C +ATOM 1049 CD2 TYR A 82 2.970 -12.127 -3.089 1.00 41.86 C +ATOM 1050 CE1 TYR A 82 2.891 -14.224 -4.965 1.00 44.29 C +ATOM 1051 CE2 TYR A 82 3.364 -11.894 -4.418 1.00 43.80 C +ATOM 1052 CZ TYR A 82 3.293 -12.936 -5.361 1.00 45.95 C +ATOM 1053 OH TYR A 82 3.593 -12.699 -6.665 1.00 47.94 O +ATOM 1054 H TYR A 82 0.561 -13.531 0.820 1.00 0.00 H +ATOM 1055 HA TYR A 82 0.365 -12.198 -1.662 1.00 0.00 H +ATOM 1056 HB3 TYR A 82 2.077 -14.630 -0.992 1.00 0.00 H +ATOM 1057 HB2 TYR A 82 2.491 -12.978 -0.626 1.00 0.00 H +ATOM 1058 HD1 TYR A 82 2.183 -15.452 -3.345 1.00 0.00 H +ATOM 1059 HD2 TYR A 82 2.975 -11.309 -2.381 1.00 0.00 H +ATOM 1060 HE1 TYR A 82 2.839 -15.022 -5.690 1.00 0.00 H +ATOM 1061 HE2 TYR A 82 3.687 -10.907 -4.711 1.00 0.00 H +ATOM 1062 HH TYR A 82 3.760 -11.769 -6.839 1.00 0.00 H +ATOM 1063 N ARG A 83 -0.707 -15.341 -1.728 1.00 33.61 N +ATOM 1064 CA ARG A 83 -1.511 -16.330 -2.450 1.00 33.79 C +ATOM 1065 C ARG A 83 -2.949 -15.865 -2.726 1.00 32.60 C +ATOM 1066 O ARG A 83 -3.427 -16.046 -3.845 1.00 31.20 O +ATOM 1067 CB ARG A 83 -1.531 -17.643 -1.643 1.00 33.24 C +ATOM 1068 CG ARG A 83 -0.235 -18.463 -1.758 1.00 34.93 C +ATOM 1069 CD ARG A 83 -0.191 -19.636 -0.765 1.00 36.32 C +ATOM 1070 NE ARG A 83 -1.269 -20.608 -0.997 1.00 35.56 N +ATOM 1071 CZ ARG A 83 -1.292 -21.573 -1.931 1.00 37.72 C +ATOM 1072 NH1 ARG A 83 -0.257 -21.771 -2.758 1.00 36.80 N +ATOM 1073 NH2 ARG A 83 -2.375 -22.354 -2.033 1.00 38.76 N1+ +ATOM 1074 H ARG A 83 -0.352 -15.632 -0.826 1.00 0.00 H +ATOM 1075 HA ARG A 83 -1.025 -16.512 -3.411 1.00 0.00 H +ATOM 1076 HB3 ARG A 83 -2.354 -18.276 -1.982 1.00 0.00 H +ATOM 1077 HB2 ARG A 83 -1.744 -17.415 -0.596 1.00 0.00 H +ATOM 1078 HG3 ARG A 83 0.650 -17.843 -1.615 1.00 0.00 H +ATOM 1079 HG2 ARG A 83 -0.171 -18.840 -2.779 1.00 0.00 H +ATOM 1080 HD3 ARG A 83 -0.374 -19.236 0.233 1.00 0.00 H +ATOM 1081 HD2 ARG A 83 0.791 -20.108 -0.725 1.00 0.00 H +ATOM 1082 HE ARG A 83 -2.088 -20.487 -0.417 1.00 0.00 H +ATOM 1083 HH12 ARG A 83 -0.284 -22.500 -3.456 1.00 0.00 H +ATOM 1084 HH11 ARG A 83 0.565 -21.189 -2.681 1.00 0.00 H +ATOM 1085 HH22 ARG A 83 -2.414 -23.087 -2.727 1.00 0.00 H +ATOM 1086 HH21 ARG A 83 -3.162 -22.221 -1.414 1.00 0.00 H +ATOM 1087 N SER A 84 -3.608 -15.298 -1.704 1.00 29.89 N +ATOM 1088 CA SER A 84 -5.022 -14.936 -1.754 1.00 33.65 C +ATOM 1089 C SER A 84 -5.314 -13.586 -2.433 1.00 31.73 C +ATOM 1090 O SER A 84 -6.327 -13.511 -3.128 1.00 32.56 O +ATOM 1091 CB SER A 84 -5.616 -15.019 -0.337 1.00 33.28 C +ATOM 1092 OG SER A 84 -5.051 -14.046 0.514 1.00 42.99 O +ATOM 1093 H SER A 84 -3.143 -15.175 -0.815 1.00 0.00 H +ATOM 1094 HA SER A 84 -5.537 -15.698 -2.342 1.00 0.00 H +ATOM 1095 HB3 SER A 84 -5.453 -16.007 0.094 1.00 0.00 H +ATOM 1096 HB2 SER A 84 -6.696 -14.861 -0.366 1.00 0.00 H +ATOM 1097 HG SER A 84 -4.205 -14.377 0.836 1.00 0.00 H +ATOM 1098 N VAL A 85 -4.465 -12.558 -2.223 1.00 32.27 N +ATOM 1099 CA VAL A 85 -4.739 -11.196 -2.701 1.00 30.87 C +ATOM 1100 C VAL A 85 -3.816 -10.804 -3.871 1.00 30.01 C +ATOM 1101 O VAL A 85 -4.334 -10.306 -4.869 1.00 32.23 O +ATOM 1102 CB VAL A 85 -4.749 -10.091 -1.576 1.00 32.16 C +ATOM 1103 CG1 VAL A 85 -5.060 -10.644 -0.167 1.00 32.40 C +ATOM 1104 CG2 VAL A 85 -3.546 -9.127 -1.462 1.00 32.73 C +ATOM 1105 H VAL A 85 -3.653 -12.678 -1.633 1.00 0.00 H +ATOM 1106 HA VAL A 85 -5.746 -11.168 -3.124 1.00 0.00 H +ATOM 1107 HB VAL A 85 -5.598 -9.453 -1.829 1.00 0.00 H +ATOM 1108 HG11 VAL A 85 -5.403 -9.855 0.502 1.00 0.00 H +ATOM 1109 HG12 VAL A 85 -5.818 -11.422 -0.179 1.00 0.00 H +ATOM 1110 HG13 VAL A 85 -4.181 -11.089 0.294 1.00 0.00 H +ATOM 1111 HG21 VAL A 85 -3.712 -8.393 -0.673 1.00 0.00 H +ATOM 1112 HG22 VAL A 85 -2.635 -9.664 -1.204 1.00 0.00 H +ATOM 1113 HG23 VAL A 85 -3.371 -8.561 -2.378 1.00 0.00 H +ATOM 1114 N VAL A 86 -2.492 -11.019 -3.755 1.00 28.37 N +ATOM 1115 CA VAL A 86 -1.524 -10.473 -4.716 1.00 30.45 C +ATOM 1116 C VAL A 86 -1.404 -11.308 -5.999 1.00 32.51 C +ATOM 1117 O VAL A 86 -1.297 -10.717 -7.068 1.00 30.96 O +ATOM 1118 CB VAL A 86 -0.086 -10.348 -4.144 1.00 29.71 C +ATOM 1119 CG1 VAL A 86 0.897 -9.627 -5.097 1.00 30.36 C +ATOM 1120 CG2 VAL A 86 -0.060 -9.649 -2.783 1.00 30.48 C +ATOM 1121 H VAL A 86 -2.117 -11.465 -2.930 1.00 0.00 H +ATOM 1122 HA VAL A 86 -1.852 -9.471 -5.000 1.00 0.00 H +ATOM 1123 HB VAL A 86 0.311 -11.352 -3.987 1.00 0.00 H +ATOM 1124 HG11 VAL A 86 1.868 -9.481 -4.628 1.00 0.00 H +ATOM 1125 HG12 VAL A 86 1.090 -10.191 -6.010 1.00 0.00 H +ATOM 1126 HG13 VAL A 86 0.526 -8.643 -5.386 1.00 0.00 H +ATOM 1127 HG21 VAL A 86 0.964 -9.631 -2.423 1.00 0.00 H +ATOM 1128 HG22 VAL A 86 -0.426 -8.623 -2.845 1.00 0.00 H +ATOM 1129 HG23 VAL A 86 -0.644 -10.176 -2.032 1.00 0.00 H +ATOM 1130 N CYS A 87 -1.385 -12.646 -5.879 1.00 33.65 N +ATOM 1131 CA CYS A 87 -1.157 -13.561 -6.998 1.00 34.56 C +ATOM 1132 C CYS A 87 -2.213 -13.458 -8.131 1.00 33.22 C +ATOM 1133 O CYS A 87 -1.791 -13.372 -9.283 1.00 32.37 O +ATOM 1134 CB CYS A 87 -0.858 -15.001 -6.521 1.00 37.83 C +ATOM 1135 SG CYS A 87 -0.259 -16.075 -7.859 1.00 49.64 S +ATOM 1136 H CYS A 87 -1.453 -13.065 -4.959 1.00 0.00 H +ATOM 1137 HA CYS A 87 -0.222 -13.215 -7.445 1.00 0.00 H +ATOM 1138 HB3 CYS A 87 -1.725 -15.462 -6.053 1.00 0.00 H +ATOM 1139 HB2 CYS A 87 -0.079 -14.974 -5.758 1.00 0.00 H +ATOM 1140 HG CYS A 87 -1.402 -16.099 -8.551 1.00 0.00 H +ATOM 1141 N PRO A 88 -3.526 -13.316 -7.809 1.00 32.21 N +ATOM 1142 CA PRO A 88 -4.556 -12.949 -8.804 1.00 33.69 C +ATOM 1143 C PRO A 88 -4.372 -11.566 -9.458 1.00 34.06 C +ATOM 1144 O PRO A 88 -4.574 -11.450 -10.666 1.00 33.78 O +ATOM 1145 CB PRO A 88 -5.881 -13.025 -8.022 1.00 33.34 C +ATOM 1146 CG PRO A 88 -5.592 -13.957 -6.859 1.00 30.72 C +ATOM 1147 CD PRO A 88 -4.147 -13.630 -6.521 1.00 31.11 C +ATOM 1148 HA PRO A 88 -4.551 -13.718 -9.579 1.00 0.00 H +ATOM 1149 HB3 PRO A 88 -6.710 -13.379 -8.636 1.00 0.00 H +ATOM 1150 HB2 PRO A 88 -6.161 -12.046 -7.628 1.00 0.00 H +ATOM 1151 HG3 PRO A 88 -5.660 -14.992 -7.195 1.00 0.00 H +ATOM 1152 HG2 PRO A 88 -6.273 -13.829 -6.017 1.00 0.00 H +ATOM 1153 HD2 PRO A 88 -4.108 -12.753 -5.882 1.00 0.00 H +ATOM 1154 HD3 PRO A 88 -3.679 -14.459 -5.995 1.00 0.00 H +ATOM 1155 N ILE A 89 -3.987 -10.555 -8.657 1.00 33.67 N +ATOM 1156 CA ILE A 89 -3.727 -9.185 -9.113 1.00 32.79 C +ATOM 1157 C ILE A 89 -2.509 -9.104 -10.056 1.00 33.05 C +ATOM 1158 O ILE A 89 -2.596 -8.421 -11.074 1.00 33.90 O +ATOM 1159 CB ILE A 89 -3.548 -8.193 -7.918 1.00 34.37 C +ATOM 1160 CG1 ILE A 89 -4.874 -8.032 -7.138 1.00 34.88 C +ATOM 1161 CG2 ILE A 89 -3.014 -6.796 -8.306 1.00 31.66 C +ATOM 1162 CD1 ILE A 89 -4.708 -7.387 -5.752 1.00 40.21 C +ATOM 1163 H ILE A 89 -3.834 -10.728 -7.673 1.00 0.00 H +ATOM 1164 HA ILE A 89 -4.600 -8.864 -9.686 1.00 0.00 H +ATOM 1165 HB ILE A 89 -2.823 -8.631 -7.233 1.00 0.00 H +ATOM 1166 HG13 ILE A 89 -5.358 -8.999 -7.006 1.00 0.00 H +ATOM 1167 HG12 ILE A 89 -5.572 -7.437 -7.728 1.00 0.00 H +ATOM 1168 HG21 ILE A 89 -2.957 -6.132 -7.444 1.00 0.00 H +ATOM 1169 HG22 ILE A 89 -2.011 -6.827 -8.732 1.00 0.00 H +ATOM 1170 HG23 ILE A 89 -3.681 -6.336 -9.030 1.00 0.00 H +ATOM 1171 HD11 ILE A 89 -5.502 -7.709 -5.078 1.00 0.00 H +ATOM 1172 HD12 ILE A 89 -3.759 -7.660 -5.290 1.00 0.00 H +ATOM 1173 HD13 ILE A 89 -4.748 -6.301 -5.806 1.00 0.00 H +ATOM 1174 N LEU A 90 -1.428 -9.835 -9.726 1.00 34.40 N +ATOM 1175 CA LEU A 90 -0.220 -9.950 -10.539 1.00 36.12 C +ATOM 1176 C LEU A 90 -0.484 -10.638 -11.885 1.00 36.86 C +ATOM 1177 O LEU A 90 0.068 -10.181 -12.877 1.00 35.34 O +ATOM 1178 CB LEU A 90 0.919 -10.642 -9.750 1.00 35.83 C +ATOM 1179 CG LEU A 90 2.269 -10.758 -10.510 1.00 37.20 C +ATOM 1180 CD1 LEU A 90 2.829 -9.392 -10.954 1.00 39.93 C +ATOM 1181 CD2 LEU A 90 3.306 -11.562 -9.707 1.00 37.31 C +ATOM 1182 H LEU A 90 -1.433 -10.359 -8.859 1.00 0.00 H +ATOM 1183 HA LEU A 90 0.090 -8.927 -10.756 1.00 0.00 H +ATOM 1184 HB3 LEU A 90 0.584 -11.639 -9.458 1.00 0.00 H +ATOM 1185 HB2 LEU A 90 1.085 -10.101 -8.817 1.00 0.00 H +ATOM 1186 HG LEU A 90 2.097 -11.346 -11.412 1.00 0.00 H +ATOM 1187 HD11 LEU A 90 3.885 -9.291 -10.716 1.00 0.00 H +ATOM 1188 HD12 LEU A 90 2.728 -9.260 -12.031 1.00 0.00 H +ATOM 1189 HD13 LEU A 90 2.319 -8.559 -10.471 1.00 0.00 H +ATOM 1190 HD21 LEU A 90 3.998 -12.080 -10.372 1.00 0.00 H +ATOM 1191 HD22 LEU A 90 3.896 -10.925 -9.047 1.00 0.00 H +ATOM 1192 HD23 LEU A 90 2.822 -12.321 -9.095 1.00 0.00 H +ATOM 1193 N ASP A 91 -1.345 -11.671 -11.923 1.00 36.65 N +ATOM 1194 CA ASP A 91 -1.770 -12.318 -13.173 1.00 39.50 C +ATOM 1195 C ASP A 91 -2.471 -11.363 -14.146 1.00 39.38 C +ATOM 1196 O ASP A 91 -2.186 -11.436 -15.339 1.00 39.21 O +ATOM 1197 CB ASP A 91 -2.614 -13.597 -12.970 1.00 39.23 C +ATOM 1198 CG ASP A 91 -1.896 -14.698 -12.189 1.00 42.38 C +ATOM 1199 OD1 ASP A 91 -0.646 -14.696 -12.199 1.00 41.38 O +ATOM 1200 OD2 ASP A 91 -2.604 -15.586 -11.669 1.00 43.09 O1- +ATOM 1201 H ASP A 91 -1.757 -12.021 -11.068 1.00 0.00 H +ATOM 1202 HA ASP A 91 -0.851 -12.617 -13.681 1.00 0.00 H +ATOM 1203 HB3 ASP A 91 -2.915 -14.009 -13.934 1.00 0.00 H +ATOM 1204 HB2 ASP A 91 -3.521 -13.331 -12.425 1.00 0.00 H +ATOM 1205 N GLU A 92 -3.302 -10.446 -13.625 1.00 38.83 N +ATOM 1206 CA GLU A 92 -3.916 -9.381 -14.415 1.00 39.48 C +ATOM 1207 C GLU A 92 -2.887 -8.352 -14.933 1.00 38.74 C +ATOM 1208 O GLU A 92 -3.004 -7.926 -16.081 1.00 36.80 O +ATOM 1209 CB GLU A 92 -5.108 -8.794 -13.635 1.00 41.28 C +ATOM 1210 CG GLU A 92 -5.849 -7.649 -14.357 1.00 42.07 C +ATOM 1211 CD GLU A 92 -7.193 -7.279 -13.726 1.00 44.04 C +ATOM 1212 OE1 GLU A 92 -7.811 -8.160 -13.088 1.00 41.66 O +ATOM 1213 OE2 GLU A 92 -7.587 -6.104 -13.890 1.00 43.65 O1- +ATOM 1214 H GLU A 92 -3.487 -10.440 -12.632 1.00 0.00 H +ATOM 1215 HA GLU A 92 -4.340 -9.853 -15.303 1.00 0.00 H +ATOM 1216 HB3 GLU A 92 -4.777 -8.445 -12.657 1.00 0.00 H +ATOM 1217 HB2 GLU A 92 -5.799 -9.614 -13.436 1.00 0.00 H +ATOM 1218 HG3 GLU A 92 -6.027 -7.907 -15.401 1.00 0.00 H +ATOM 1219 HG2 GLU A 92 -5.225 -6.758 -14.341 1.00 0.00 H +ATOM 1220 N VAL A 93 -1.846 -8.049 -14.136 1.00 37.58 N +ATOM 1221 CA VAL A 93 -0.692 -7.246 -14.559 1.00 39.39 C +ATOM 1222 C VAL A 93 0.101 -7.915 -15.705 1.00 39.94 C +ATOM 1223 O VAL A 93 0.447 -7.221 -16.658 1.00 38.57 O +ATOM 1224 CB VAL A 93 0.261 -6.910 -13.372 1.00 39.78 C +ATOM 1225 CG1 VAL A 93 1.582 -6.218 -13.758 1.00 38.88 C +ATOM 1226 CG2 VAL A 93 -0.459 -6.064 -12.314 1.00 39.30 C +ATOM 1227 H VAL A 93 -1.803 -8.442 -13.206 1.00 0.00 H +ATOM 1228 HA VAL A 93 -1.086 -6.306 -14.943 1.00 0.00 H +ATOM 1229 HB VAL A 93 0.541 -7.835 -12.880 1.00 0.00 H +ATOM 1230 HG11 VAL A 93 2.150 -5.930 -12.873 1.00 0.00 H +ATOM 1231 HG12 VAL A 93 2.229 -6.863 -14.351 1.00 0.00 H +ATOM 1232 HG13 VAL A 93 1.386 -5.316 -14.332 1.00 0.00 H +ATOM 1233 HG21 VAL A 93 0.069 -6.098 -11.364 1.00 0.00 H +ATOM 1234 HG22 VAL A 93 -0.549 -5.026 -12.632 1.00 0.00 H +ATOM 1235 HG23 VAL A 93 -1.462 -6.430 -12.116 1.00 0.00 H +ATOM 1236 N ILE A 94 0.309 -9.247 -15.641 1.00 39.41 N +ATOM 1237 CA ILE A 94 0.940 -10.039 -16.708 1.00 41.12 C +ATOM 1238 C ILE A 94 0.089 -10.094 -18.003 1.00 42.53 C +ATOM 1239 O ILE A 94 0.668 -10.140 -19.089 1.00 42.63 O +ATOM 1240 CB ILE A 94 1.305 -11.496 -16.259 1.00 41.77 C +ATOM 1241 CG1 ILE A 94 2.224 -11.566 -15.012 1.00 41.96 C +ATOM 1242 CG2 ILE A 94 1.934 -12.359 -17.377 1.00 41.60 C +ATOM 1243 CD1 ILE A 94 3.353 -10.528 -14.944 1.00 42.93 C +ATOM 1244 H ILE A 94 0.003 -9.757 -14.822 1.00 0.00 H +ATOM 1245 HA ILE A 94 1.865 -9.526 -16.977 1.00 0.00 H +ATOM 1246 HB ILE A 94 0.377 -11.993 -15.975 1.00 0.00 H +ATOM 1247 HG13 ILE A 94 2.649 -12.565 -14.911 1.00 0.00 H +ATOM 1248 HG12 ILE A 94 1.620 -11.463 -14.119 1.00 0.00 H +ATOM 1249 HG21 ILE A 94 2.225 -13.341 -17.006 1.00 0.00 H +ATOM 1250 HG22 ILE A 94 1.245 -12.547 -18.198 1.00 0.00 H +ATOM 1251 HG23 ILE A 94 2.826 -11.887 -17.789 1.00 0.00 H +ATOM 1252 HD11 ILE A 94 4.158 -10.871 -14.293 1.00 0.00 H +ATOM 1253 HD12 ILE A 94 3.784 -10.325 -15.925 1.00 0.00 H +ATOM 1254 HD13 ILE A 94 2.982 -9.588 -14.538 1.00 0.00 H +ATOM 1255 N MET A 95 -1.250 -9.997 -17.891 1.00 42.42 N +ATOM 1256 CA MET A 95 -2.165 -9.814 -19.031 1.00 44.90 C +ATOM 1257 C MET A 95 -2.089 -8.418 -19.685 1.00 45.13 C +ATOM 1258 O MET A 95 -2.736 -8.214 -20.713 1.00 44.37 O +ATOM 1259 CB MET A 95 -3.619 -10.137 -18.626 1.00 46.53 C +ATOM 1260 CG MET A 95 -3.864 -11.615 -18.306 1.00 50.85 C +ATOM 1261 SD MET A 95 -5.543 -11.977 -17.731 1.00 55.62 S +ATOM 1262 CE MET A 95 -6.444 -11.864 -19.301 1.00 55.21 C +ATOM 1263 H MET A 95 -1.670 -9.964 -16.972 1.00 0.00 H +ATOM 1264 HA MET A 95 -1.878 -10.525 -19.808 1.00 0.00 H +ATOM 1265 HB3 MET A 95 -4.293 -9.858 -19.436 1.00 0.00 H +ATOM 1266 HB2 MET A 95 -3.925 -9.528 -17.778 1.00 0.00 H +ATOM 1267 HG3 MET A 95 -3.174 -11.951 -17.540 1.00 0.00 H +ATOM 1268 HG2 MET A 95 -3.655 -12.227 -19.184 1.00 0.00 H +ATOM 1269 HE1 MET A 95 -7.493 -12.118 -19.147 1.00 0.00 H +ATOM 1270 HE2 MET A 95 -6.393 -10.854 -19.704 1.00 0.00 H +ATOM 1271 HE3 MET A 95 -6.026 -12.555 -20.033 1.00 0.00 H +ATOM 1272 N GLY A 96 -1.287 -7.500 -19.123 1.00 43.95 N +ATOM 1273 CA GLY A 96 -1.018 -6.191 -19.704 1.00 42.59 C +ATOM 1274 C GLY A 96 -1.972 -5.116 -19.167 1.00 42.57 C +ATOM 1275 O GLY A 96 -2.227 -4.146 -19.879 1.00 41.48 O +ATOM 1276 H GLY A 96 -0.784 -7.734 -18.278 1.00 0.00 H +ATOM 1277 HA3 GLY A 96 -1.065 -6.228 -20.793 1.00 0.00 H +ATOM 1278 HA2 GLY A 96 0.003 -5.919 -19.444 1.00 0.00 H +ATOM 1279 N TYR A 97 -2.500 -5.282 -17.942 1.00 41.65 N +ATOM 1280 CA TYR A 97 -3.361 -4.302 -17.273 1.00 41.71 C +ATOM 1281 C TYR A 97 -2.586 -3.521 -16.204 1.00 38.76 C +ATOM 1282 O TYR A 97 -1.501 -3.923 -15.778 1.00 37.69 O +ATOM 1283 CB TYR A 97 -4.574 -5.012 -16.638 1.00 45.44 C +ATOM 1284 CG TYR A 97 -5.667 -5.410 -17.612 1.00 52.18 C +ATOM 1285 CD1 TYR A 97 -5.457 -6.441 -18.553 1.00 54.66 C +ATOM 1286 CD2 TYR A 97 -6.905 -4.734 -17.583 1.00 53.53 C +ATOM 1287 CE1 TYR A 97 -6.465 -6.768 -19.480 1.00 57.85 C +ATOM 1288 CE2 TYR A 97 -7.916 -5.068 -18.502 1.00 57.11 C +ATOM 1289 CZ TYR A 97 -7.693 -6.077 -19.458 1.00 58.28 C +ATOM 1290 OH TYR A 97 -8.670 -6.382 -20.360 1.00 60.52 O +ATOM 1291 H TYR A 97 -2.266 -6.104 -17.404 1.00 0.00 H +ATOM 1292 HA TYR A 97 -3.741 -3.577 -17.995 1.00 0.00 H +ATOM 1293 HB3 TYR A 97 -5.042 -4.363 -15.896 1.00 0.00 H +ATOM 1294 HB2 TYR A 97 -4.249 -5.877 -16.075 1.00 0.00 H +ATOM 1295 HD1 TYR A 97 -4.521 -6.979 -18.574 1.00 0.00 H +ATOM 1296 HD2 TYR A 97 -7.083 -3.950 -16.861 1.00 0.00 H +ATOM 1297 HE1 TYR A 97 -6.289 -7.549 -20.205 1.00 0.00 H +ATOM 1298 HE2 TYR A 97 -8.859 -4.541 -18.479 1.00 0.00 H +ATOM 1299 HH TYR A 97 -8.416 -7.080 -20.968 1.00 0.00 H +ATOM 1300 N ASN A 98 -3.211 -2.413 -15.783 1.00 36.08 N +ATOM 1301 CA ASN A 98 -2.762 -1.561 -14.690 1.00 33.17 C +ATOM 1302 C ASN A 98 -3.512 -1.964 -13.417 1.00 29.96 C +ATOM 1303 O ASN A 98 -4.741 -2.054 -13.437 1.00 27.65 O +ATOM 1304 CB ASN A 98 -3.028 -0.086 -15.057 1.00 34.52 C +ATOM 1305 CG ASN A 98 -2.192 0.403 -16.247 1.00 37.68 C +ATOM 1306 ND2 ASN A 98 -2.726 1.351 -17.015 1.00 36.60 N +ATOM 1307 OD1 ASN A 98 -1.077 -0.060 -16.476 1.00 37.20 O +ATOM 1308 H ASN A 98 -4.104 -2.168 -16.187 1.00 0.00 H +ATOM 1309 HA ASN A 98 -1.691 -1.695 -14.553 1.00 0.00 H +ATOM 1310 HB3 ASN A 98 -2.792 0.556 -14.208 1.00 0.00 H +ATOM 1311 HB2 ASN A 98 -4.089 0.066 -15.266 1.00 0.00 H +ATOM 1312 HD22 ASN A 98 -2.214 1.706 -17.808 1.00 0.00 H +ATOM 1313 HD21 ASN A 98 -3.662 1.697 -16.832 1.00 0.00 H +ATOM 1314 N CYS A 99 -2.750 -2.185 -12.337 1.00 28.42 N +ATOM 1315 CA CYS A 99 -3.258 -2.551 -11.017 1.00 26.99 C +ATOM 1316 C CYS A 99 -2.611 -1.656 -9.945 1.00 24.43 C +ATOM 1317 O CYS A 99 -1.522 -1.128 -10.162 1.00 23.39 O +ATOM 1318 CB CYS A 99 -2.992 -4.032 -10.702 1.00 26.76 C +ATOM 1319 SG CYS A 99 -4.024 -5.127 -11.722 1.00 30.41 S +ATOM 1320 H CYS A 99 -1.744 -2.110 -12.416 1.00 0.00 H +ATOM 1321 HA CYS A 99 -4.329 -2.379 -10.990 1.00 0.00 H +ATOM 1322 HB3 CYS A 99 -3.206 -4.238 -9.653 1.00 0.00 H +ATOM 1323 HB2 CYS A 99 -1.946 -4.269 -10.875 1.00 0.00 H +ATOM 1324 HG CYS A 99 -3.487 -6.273 -11.290 1.00 0.00 H +ATOM 1325 N THR A 100 -3.286 -1.506 -8.796 1.00 23.88 N +ATOM 1326 CA THR A 100 -2.787 -0.752 -7.646 1.00 23.96 C +ATOM 1327 C THR A 100 -3.272 -1.411 -6.349 1.00 24.20 C +ATOM 1328 O THR A 100 -4.424 -1.829 -6.277 1.00 24.93 O +ATOM 1329 CB THR A 100 -3.267 0.727 -7.660 1.00 21.66 C +ATOM 1330 CG2 THR A 100 -2.966 1.558 -6.394 1.00 20.28 C +ATOM 1331 OG1 THR A 100 -2.661 1.393 -8.747 1.00 23.67 O +ATOM 1332 H THR A 100 -4.191 -1.944 -8.683 1.00 0.00 H +ATOM 1333 HA THR A 100 -1.701 -0.778 -7.665 1.00 0.00 H +ATOM 1334 HB THR A 100 -4.343 0.751 -7.838 1.00 0.00 H +ATOM 1335 HG21 THR A 100 -3.209 2.611 -6.541 1.00 0.00 H +ATOM 1336 HG22 THR A 100 -3.550 1.219 -5.538 1.00 0.00 H +ATOM 1337 HG23 THR A 100 -1.912 1.500 -6.122 1.00 0.00 H +ATOM 1338 HG1 THR A 100 -3.081 2.258 -8.831 1.00 0.00 H +ATOM 1339 N ILE A 101 -2.397 -1.470 -5.336 1.00 23.51 N +ATOM 1340 CA ILE A 101 -2.743 -1.960 -4.007 1.00 21.26 C +ATOM 1341 C ILE A 101 -2.281 -0.904 -2.989 1.00 20.88 C +ATOM 1342 O ILE A 101 -1.085 -0.629 -2.901 1.00 21.37 O +ATOM 1343 CB ILE A 101 -2.073 -3.325 -3.662 1.00 21.03 C +ATOM 1344 CG1 ILE A 101 -2.191 -4.363 -4.808 1.00 21.50 C +ATOM 1345 CG2 ILE A 101 -2.648 -3.923 -2.355 1.00 19.72 C +ATOM 1346 CD1 ILE A 101 -1.478 -5.698 -4.529 1.00 22.58 C +ATOM 1347 H ILE A 101 -1.455 -1.119 -5.458 1.00 0.00 H +ATOM 1348 HA ILE A 101 -3.820 -2.086 -3.910 1.00 0.00 H +ATOM 1349 HB ILE A 101 -1.006 -3.152 -3.512 1.00 0.00 H +ATOM 1350 HG13 ILE A 101 -1.775 -3.956 -5.729 1.00 0.00 H +ATOM 1351 HG12 ILE A 101 -3.244 -4.553 -5.022 1.00 0.00 H +ATOM 1352 HG21 ILE A 101 -2.082 -4.798 -2.039 1.00 0.00 H +ATOM 1353 HG22 ILE A 101 -2.624 -3.221 -1.522 1.00 0.00 H +ATOM 1354 HG23 ILE A 101 -3.685 -4.230 -2.484 1.00 0.00 H +ATOM 1355 HD11 ILE A 101 -1.228 -6.207 -5.460 1.00 0.00 H +ATOM 1356 HD12 ILE A 101 -0.550 -5.551 -3.976 1.00 0.00 H +ATOM 1357 HD13 ILE A 101 -2.111 -6.370 -3.949 1.00 0.00 H +ATOM 1358 N PHE A 102 -3.243 -0.341 -2.243 1.00 20.90 N +ATOM 1359 CA PHE A 102 -2.994 0.559 -1.119 1.00 21.42 C +ATOM 1360 C PHE A 102 -2.800 -0.231 0.184 1.00 22.24 C +ATOM 1361 O PHE A 102 -3.442 -1.262 0.372 1.00 22.50 O +ATOM 1362 CB PHE A 102 -4.178 1.533 -0.952 1.00 21.24 C +ATOM 1363 CG PHE A 102 -4.323 2.612 -2.011 1.00 24.65 C +ATOM 1364 CD1 PHE A 102 -3.585 3.809 -1.906 1.00 24.59 C +ATOM 1365 CD2 PHE A 102 -5.104 2.392 -3.166 1.00 23.12 C +ATOM 1366 CE1 PHE A 102 -3.711 4.793 -2.877 1.00 27.89 C +ATOM 1367 CE2 PHE A 102 -5.204 3.383 -4.135 1.00 26.02 C +ATOM 1368 CZ PHE A 102 -4.521 4.583 -3.985 1.00 25.24 C +ATOM 1369 H PHE A 102 -4.207 -0.608 -2.393 1.00 0.00 H +ATOM 1370 HA PHE A 102 -2.097 1.147 -1.304 1.00 0.00 H +ATOM 1371 HB3 PHE A 102 -4.103 2.043 0.011 1.00 0.00 H +ATOM 1372 HB2 PHE A 102 -5.105 0.966 -0.906 1.00 0.00 H +ATOM 1373 HD1 PHE A 102 -2.934 3.971 -1.061 1.00 0.00 H +ATOM 1374 HD2 PHE A 102 -5.640 1.463 -3.288 1.00 0.00 H +ATOM 1375 HE1 PHE A 102 -3.170 5.722 -2.774 1.00 0.00 H +ATOM 1376 HE2 PHE A 102 -5.815 3.224 -5.010 1.00 0.00 H +ATOM 1377 HZ PHE A 102 -4.609 5.350 -4.741 1.00 0.00 H +ATOM 1378 N ALA A 103 -1.976 0.320 1.085 1.00 19.47 N +ATOM 1379 CA ALA A 103 -1.909 -0.050 2.493 1.00 20.05 C +ATOM 1380 C ALA A 103 -2.295 1.191 3.299 1.00 19.29 C +ATOM 1381 O ALA A 103 -1.640 2.227 3.170 1.00 18.27 O +ATOM 1382 CB ALA A 103 -0.511 -0.562 2.863 1.00 18.35 C +ATOM 1383 H ALA A 103 -1.434 1.133 0.825 1.00 0.00 H +ATOM 1384 HA ALA A 103 -2.615 -0.849 2.709 1.00 0.00 H +ATOM 1385 HB1 ALA A 103 -0.410 -0.680 3.941 1.00 0.00 H +ATOM 1386 HB2 ALA A 103 -0.338 -1.542 2.425 1.00 0.00 H +ATOM 1387 HB3 ALA A 103 0.282 0.102 2.523 1.00 0.00 H +ATOM 1388 N TYR A 104 -3.373 1.058 4.082 1.00 17.95 N +ATOM 1389 CA TYR A 104 -3.958 2.116 4.900 1.00 19.33 C +ATOM 1390 C TYR A 104 -4.062 1.628 6.351 1.00 20.55 C +ATOM 1391 O TYR A 104 -4.272 0.438 6.568 1.00 22.06 O +ATOM 1392 CB TYR A 104 -5.348 2.473 4.320 1.00 18.75 C +ATOM 1393 CG TYR A 104 -6.053 3.621 5.025 1.00 19.21 C +ATOM 1394 CD1 TYR A 104 -6.911 3.373 6.116 1.00 21.30 C +ATOM 1395 CD2 TYR A 104 -5.819 4.949 4.615 1.00 20.16 C +ATOM 1396 CE1 TYR A 104 -7.495 4.448 6.811 1.00 21.55 C +ATOM 1397 CE2 TYR A 104 -6.410 6.024 5.302 1.00 20.84 C +ATOM 1398 CZ TYR A 104 -7.249 5.771 6.403 1.00 22.27 C +ATOM 1399 OH TYR A 104 -7.833 6.808 7.065 1.00 22.91 O +ATOM 1400 H TYR A 104 -3.828 0.156 4.146 1.00 0.00 H +ATOM 1401 HA TYR A 104 -3.323 3.002 4.878 1.00 0.00 H +ATOM 1402 HB3 TYR A 104 -5.999 1.597 4.345 1.00 0.00 H +ATOM 1403 HB2 TYR A 104 -5.251 2.734 3.266 1.00 0.00 H +ATOM 1404 HD1 TYR A 104 -7.098 2.359 6.435 1.00 0.00 H +ATOM 1405 HD2 TYR A 104 -5.170 5.148 3.782 1.00 0.00 H +ATOM 1406 HE1 TYR A 104 -8.136 4.257 7.655 1.00 0.00 H +ATOM 1407 HE2 TYR A 104 -6.223 7.038 4.980 1.00 0.00 H +ATOM 1408 HH TYR A 104 -7.620 7.674 6.695 1.00 0.00 H +ATOM 1409 N GLY A 105 -3.962 2.551 7.316 1.00 19.26 N +ATOM 1410 CA GLY A 105 -4.132 2.234 8.729 1.00 21.52 C +ATOM 1411 C GLY A 105 -3.190 3.074 9.589 1.00 20.28 C +ATOM 1412 O GLY A 105 -2.360 3.839 9.094 1.00 18.68 O +ATOM 1413 H GLY A 105 -3.766 3.515 7.074 1.00 0.00 H +ATOM 1414 HA3 GLY A 105 -3.915 1.186 8.933 1.00 0.00 H +ATOM 1415 HA2 GLY A 105 -5.167 2.423 9.015 1.00 0.00 H +ATOM 1416 N GLN A 106 -3.360 2.927 10.912 1.00 21.44 N +ATOM 1417 CA GLN A 106 -2.573 3.574 11.961 1.00 20.84 C +ATOM 1418 C GLN A 106 -1.084 3.161 11.913 1.00 21.07 C +ATOM 1419 O GLN A 106 -0.757 2.085 11.416 1.00 21.08 O +ATOM 1420 CB GLN A 106 -3.272 3.307 13.320 1.00 22.65 C +ATOM 1421 CG GLN A 106 -2.500 3.707 14.602 1.00 25.55 C +ATOM 1422 CD GLN A 106 -3.091 3.121 15.884 1.00 28.83 C +ATOM 1423 NE2 GLN A 106 -3.244 1.797 15.938 1.00 30.80 N +ATOM 1424 OE1 GLN A 106 -3.370 3.846 16.835 1.00 30.01 O +ATOM 1425 H GLN A 106 -4.069 2.285 11.243 1.00 0.00 H +ATOM 1426 HA GLN A 106 -2.646 4.640 11.766 1.00 0.00 H +ATOM 1427 HB3 GLN A 106 -3.527 2.254 13.368 1.00 0.00 H +ATOM 1428 HB2 GLN A 106 -4.232 3.826 13.322 1.00 0.00 H +ATOM 1429 HG3 GLN A 106 -2.434 4.792 14.681 1.00 0.00 H +ATOM 1430 HG2 GLN A 106 -1.480 3.333 14.584 1.00 0.00 H +ATOM 1431 HE22 GLN A 106 -3.633 1.365 16.762 1.00 0.00 H +ATOM 1432 HE21 GLN A 106 -3.018 1.221 15.140 1.00 0.00 H +ATOM 1433 N THR A 107 -0.201 4.024 12.433 1.00 22.00 N +ATOM 1434 CA THR A 107 1.234 3.793 12.551 1.00 22.73 C +ATOM 1435 C THR A 107 1.512 2.643 13.532 1.00 24.87 C +ATOM 1436 O THR A 107 1.015 2.654 14.659 1.00 22.44 O +ATOM 1437 CB THR A 107 1.982 5.061 13.043 1.00 22.42 C +ATOM 1438 CG2 THR A 107 3.511 4.907 13.137 1.00 22.99 C +ATOM 1439 OG1 THR A 107 1.729 6.134 12.157 1.00 21.89 O +ATOM 1440 H THR A 107 -0.538 4.897 12.817 1.00 0.00 H +ATOM 1441 HA THR A 107 1.611 3.517 11.566 1.00 0.00 H +ATOM 1442 HB THR A 107 1.596 5.358 14.021 1.00 0.00 H +ATOM 1443 HG21 THR A 107 3.987 5.853 13.400 1.00 0.00 H +ATOM 1444 HG22 THR A 107 3.803 4.185 13.899 1.00 0.00 H +ATOM 1445 HG23 THR A 107 3.935 4.576 12.188 1.00 0.00 H +ATOM 1446 HG1 THR A 107 1.483 6.909 12.677 1.00 0.00 H +ATOM 1447 N GLY A 108 2.286 1.663 13.057 1.00 25.38 N +ATOM 1448 CA GLY A 108 2.651 0.470 13.799 1.00 25.41 C +ATOM 1449 C GLY A 108 1.632 -0.668 13.644 1.00 23.92 C +ATOM 1450 O GLY A 108 1.747 -1.640 14.386 1.00 21.87 O +ATOM 1451 H GLY A 108 2.671 1.749 12.119 1.00 0.00 H +ATOM 1452 HA3 GLY A 108 2.789 0.694 14.857 1.00 0.00 H +ATOM 1453 HA2 GLY A 108 3.613 0.136 13.418 1.00 0.00 H +ATOM 1454 N THR A 109 0.646 -0.580 12.732 1.00 21.42 N +ATOM 1455 CA THR A 109 -0.352 -1.641 12.539 1.00 22.55 C +ATOM 1456 C THR A 109 0.023 -2.657 11.445 1.00 24.86 C +ATOM 1457 O THR A 109 -0.586 -3.727 11.444 1.00 23.18 O +ATOM 1458 CB THR A 109 -1.760 -1.090 12.232 1.00 25.44 C +ATOM 1459 CG2 THR A 109 -2.300 -0.211 13.357 1.00 23.33 C +ATOM 1460 OG1 THR A 109 -1.820 -0.391 11.010 1.00 25.10 O +ATOM 1461 H THR A 109 0.589 0.223 12.120 1.00 0.00 H +ATOM 1462 HA THR A 109 -0.456 -2.215 13.461 1.00 0.00 H +ATOM 1463 HB THR A 109 -2.442 -1.933 12.131 1.00 0.00 H +ATOM 1464 HG21 THR A 109 -3.322 0.085 13.136 1.00 0.00 H +ATOM 1465 HG22 THR A 109 -2.313 -0.757 14.298 1.00 0.00 H +ATOM 1466 HG23 THR A 109 -1.699 0.685 13.507 1.00 0.00 H +ATOM 1467 HG1 THR A 109 -1.362 0.452 11.116 1.00 0.00 H +ATOM 1468 N GLY A 110 1.028 -2.367 10.601 1.00 22.69 N +ATOM 1469 CA GLY A 110 1.612 -3.370 9.714 1.00 22.97 C +ATOM 1470 C GLY A 110 1.538 -3.004 8.230 1.00 23.46 C +ATOM 1471 O GLY A 110 1.550 -3.927 7.418 1.00 22.88 O +ATOM 1472 H GLY A 110 1.466 -1.454 10.627 1.00 0.00 H +ATOM 1473 HA3 GLY A 110 1.162 -4.353 9.846 1.00 0.00 H +ATOM 1474 HA2 GLY A 110 2.656 -3.491 9.984 1.00 0.00 H +ATOM 1475 N LYS A 111 1.461 -1.712 7.851 1.00 19.23 N +ATOM 1476 CA LYS A 111 1.474 -1.282 6.445 1.00 20.76 C +ATOM 1477 C LYS A 111 2.781 -1.659 5.725 1.00 20.44 C +ATOM 1478 O LYS A 111 2.712 -2.323 4.692 1.00 21.60 O +ATOM 1479 CB LYS A 111 1.227 0.231 6.306 1.00 18.15 C +ATOM 1480 CG LYS A 111 -0.141 0.721 6.798 1.00 21.24 C +ATOM 1481 CD LYS A 111 -0.348 2.229 6.565 1.00 20.68 C +ATOM 1482 CE LYS A 111 0.621 3.149 7.320 1.00 18.44 C +ATOM 1483 NZ LYS A 111 0.605 2.904 8.769 1.00 18.27 N1+ +ATOM 1484 H LYS A 111 1.462 -0.973 8.547 1.00 0.00 H +ATOM 1485 HA LYS A 111 0.657 -1.799 5.939 1.00 0.00 H +ATOM 1486 HB3 LYS A 111 1.297 0.486 5.250 1.00 0.00 H +ATOM 1487 HB2 LYS A 111 2.020 0.783 6.805 1.00 0.00 H +ATOM 1488 HG3 LYS A 111 -0.261 0.491 7.856 1.00 0.00 H +ATOM 1489 HG2 LYS A 111 -0.929 0.172 6.281 1.00 0.00 H +ATOM 1490 HD3 LYS A 111 -1.364 2.498 6.838 1.00 0.00 H +ATOM 1491 HD2 LYS A 111 -0.266 2.441 5.499 1.00 0.00 H +ATOM 1492 HE3 LYS A 111 0.340 4.189 7.154 1.00 0.00 H +ATOM 1493 HE2 LYS A 111 1.638 3.033 6.949 1.00 0.00 H +ATOM 1494 HZ1 LYS A 111 0.927 1.960 8.973 1.00 0.00 H +ATOM 1495 HZ2 LYS A 111 1.232 3.560 9.217 1.00 0.00 H +ATOM 1496 HZ3 LYS A 111 -0.331 3.025 9.128 1.00 0.00 H +ATOM 1497 N THR A 112 3.932 -1.272 6.304 1.00 20.23 N +ATOM 1498 CA THR A 112 5.277 -1.586 5.807 1.00 21.91 C +ATOM 1499 C THR A 112 5.582 -3.094 5.835 1.00 21.96 C +ATOM 1500 O THR A 112 6.160 -3.603 4.879 1.00 20.36 O +ATOM 1501 CB THR A 112 6.379 -0.867 6.633 1.00 23.15 C +ATOM 1502 CG2 THR A 112 7.851 -1.103 6.277 1.00 22.97 C +ATOM 1503 OG1 THR A 112 6.125 0.520 6.674 1.00 24.85 O +ATOM 1504 H THR A 112 3.896 -0.717 7.155 1.00 0.00 H +ATOM 1505 HA THR A 112 5.339 -1.248 4.771 1.00 0.00 H +ATOM 1506 HB THR A 112 6.274 -1.201 7.666 1.00 0.00 H +ATOM 1507 HG21 THR A 112 8.507 -0.517 6.923 1.00 0.00 H +ATOM 1508 HG22 THR A 112 8.147 -2.146 6.389 1.00 0.00 H +ATOM 1509 HG23 THR A 112 8.056 -0.802 5.258 1.00 0.00 H +ATOM 1510 HG1 THR A 112 6.219 0.871 5.774 1.00 0.00 H +ATOM 1511 N PHE A 113 5.158 -3.786 6.905 1.00 22.76 N +ATOM 1512 CA PHE A 113 5.279 -5.230 7.079 1.00 23.80 C +ATOM 1513 C PHE A 113 4.517 -6.002 5.996 1.00 21.95 C +ATOM 1514 O PHE A 113 5.059 -6.957 5.451 1.00 22.14 O +ATOM 1515 CB PHE A 113 4.829 -5.624 8.502 1.00 23.71 C +ATOM 1516 CG PHE A 113 4.995 -7.099 8.830 1.00 26.76 C +ATOM 1517 CD1 PHE A 113 3.938 -8.006 8.606 1.00 27.02 C +ATOM 1518 CD2 PHE A 113 6.264 -7.607 9.182 1.00 26.47 C +ATOM 1519 CE1 PHE A 113 4.131 -9.363 8.815 1.00 27.82 C +ATOM 1520 CE2 PHE A 113 6.441 -8.971 9.375 1.00 29.17 C +ATOM 1521 CZ PHE A 113 5.374 -9.844 9.201 1.00 28.08 C +ATOM 1522 H PHE A 113 4.760 -3.277 7.690 1.00 0.00 H +ATOM 1523 HA PHE A 113 6.335 -5.483 6.976 1.00 0.00 H +ATOM 1524 HB3 PHE A 113 3.787 -5.345 8.661 1.00 0.00 H +ATOM 1525 HB2 PHE A 113 5.415 -5.061 9.229 1.00 0.00 H +ATOM 1526 HD1 PHE A 113 2.976 -7.660 8.259 1.00 0.00 H +ATOM 1527 HD2 PHE A 113 7.101 -6.936 9.306 1.00 0.00 H +ATOM 1528 HE1 PHE A 113 3.309 -10.046 8.655 1.00 0.00 H +ATOM 1529 HE2 PHE A 113 7.410 -9.355 9.660 1.00 0.00 H +ATOM 1530 HZ PHE A 113 5.506 -10.903 9.352 1.00 0.00 H +ATOM 1531 N THR A 114 3.300 -5.551 5.660 1.00 21.64 N +ATOM 1532 CA THR A 114 2.520 -6.124 4.571 1.00 22.49 C +ATOM 1533 C THR A 114 3.170 -5.850 3.201 1.00 24.03 C +ATOM 1534 O THR A 114 3.439 -6.809 2.482 1.00 20.85 O +ATOM 1535 CB THR A 114 1.061 -5.606 4.571 1.00 24.26 C +ATOM 1536 CG2 THR A 114 0.193 -6.049 3.386 1.00 22.94 C +ATOM 1537 OG1 THR A 114 0.413 -6.041 5.755 1.00 21.97 O +ATOM 1538 H THR A 114 2.905 -4.751 6.138 1.00 0.00 H +ATOM 1539 HA THR A 114 2.494 -7.204 4.721 1.00 0.00 H +ATOM 1540 HB THR A 114 1.068 -4.514 4.593 1.00 0.00 H +ATOM 1541 HG21 THR A 114 -0.822 -5.688 3.514 1.00 0.00 H +ATOM 1542 HG22 THR A 114 0.550 -5.638 2.442 1.00 0.00 H +ATOM 1543 HG23 THR A 114 0.159 -7.135 3.296 1.00 0.00 H +ATOM 1544 HG1 THR A 114 0.785 -5.555 6.510 1.00 0.00 H +ATOM 1545 N MET A 115 3.433 -4.571 2.878 1.00 23.61 N +ATOM 1546 CA MET A 115 3.931 -4.145 1.568 1.00 25.56 C +ATOM 1547 C MET A 115 5.356 -4.611 1.238 1.00 25.01 C +ATOM 1548 O MET A 115 5.607 -4.952 0.086 1.00 22.73 O +ATOM 1549 CB MET A 115 3.809 -2.607 1.417 1.00 28.20 C +ATOM 1550 CG MET A 115 2.381 -2.178 1.067 1.00 36.97 C +ATOM 1551 SD MET A 115 1.852 -2.750 -0.572 1.00 41.03 S +ATOM 1552 CE MET A 115 0.088 -2.408 -0.436 1.00 40.29 C +ATOM 1553 H MET A 115 3.216 -3.831 3.534 1.00 0.00 H +ATOM 1554 HA MET A 115 3.279 -4.619 0.834 1.00 0.00 H +ATOM 1555 HB3 MET A 115 4.467 -2.253 0.620 1.00 0.00 H +ATOM 1556 HB2 MET A 115 4.151 -2.097 2.319 1.00 0.00 H +ATOM 1557 HG3 MET A 115 2.291 -1.093 1.094 1.00 0.00 H +ATOM 1558 HG2 MET A 115 1.694 -2.563 1.820 1.00 0.00 H +ATOM 1559 HE1 MET A 115 -0.395 -2.674 -1.369 1.00 0.00 H +ATOM 1560 HE2 MET A 115 -0.368 -2.983 0.369 1.00 0.00 H +ATOM 1561 HE3 MET A 115 -0.080 -1.349 -0.253 1.00 0.00 H +ATOM 1562 N GLU A 116 6.255 -4.597 2.230 1.00 24.06 N +ATOM 1563 CA GLU A 116 7.691 -4.811 2.049 1.00 25.23 C +ATOM 1564 C GLU A 116 8.247 -5.894 2.979 1.00 25.96 C +ATOM 1565 O GLU A 116 8.998 -6.757 2.516 1.00 25.46 O +ATOM 1566 CB GLU A 116 8.494 -3.521 2.022 1.00 25.27 C +ATOM 1567 CG GLU A 116 8.153 -2.464 3.052 1.00 28.22 C +ATOM 1568 CD GLU A 116 9.000 -1.252 2.759 1.00 28.85 C +ATOM 1569 OE1 GLU A 116 8.507 -0.394 1.995 1.00 30.85 O +ATOM 1570 OE2 GLU A 116 10.128 -1.190 3.287 1.00 32.46 O1- +ATOM 1571 H GLU A 116 5.971 -4.291 3.153 1.00 0.00 H +ATOM 1572 HA GLU A 116 7.843 -5.250 1.061 1.00 0.00 H +ATOM 1573 HB3 GLU A 116 8.421 -3.087 1.027 1.00 0.00 H +ATOM 1574 HB2 GLU A 116 9.540 -3.776 2.187 1.00 0.00 H +ATOM 1575 HG3 GLU A 116 8.383 -2.828 4.052 1.00 0.00 H +ATOM 1576 HG2 GLU A 116 7.103 -2.176 3.008 1.00 0.00 H +ATOM 1577 N GLY A 117 7.787 -5.919 4.232 1.00 24.48 N +ATOM 1578 CA GLY A 117 8.150 -6.967 5.180 1.00 25.32 C +ATOM 1579 C GLY A 117 9.472 -6.629 5.850 1.00 27.26 C +ATOM 1580 O GLY A 117 9.784 -5.464 6.101 1.00 27.39 O +ATOM 1581 H GLY A 117 7.220 -5.144 4.563 1.00 0.00 H +ATOM 1582 HA3 GLY A 117 8.213 -7.933 4.685 1.00 0.00 H +ATOM 1583 HA2 GLY A 117 7.414 -7.079 5.968 1.00 0.00 H +ATOM 1584 N GLU A 118 10.200 -7.681 6.213 1.00 28.11 N +ATOM 1585 CA GLU A 118 11.464 -7.666 6.928 1.00 28.54 C +ATOM 1586 C GLU A 118 12.051 -9.079 6.808 1.00 29.30 C +ATOM 1587 O GLU A 118 11.422 -9.954 6.214 1.00 27.87 O +ATOM 1588 CB GLU A 118 11.240 -7.201 8.388 1.00 31.14 C +ATOM 1589 CG GLU A 118 10.196 -8.018 9.182 1.00 32.60 C +ATOM 1590 CD GLU A 118 9.850 -7.361 10.512 1.00 34.85 C +ATOM 1591 OE1 GLU A 118 9.436 -6.182 10.476 1.00 33.99 O +ATOM 1592 OE2 GLU A 118 9.997 -8.049 11.544 1.00 36.88 O1- +ATOM 1593 H GLU A 118 9.862 -8.620 6.018 1.00 0.00 H +ATOM 1594 HA GLU A 118 12.144 -6.976 6.425 1.00 0.00 H +ATOM 1595 HB3 GLU A 118 10.965 -6.146 8.375 1.00 0.00 H +ATOM 1596 HB2 GLU A 118 12.189 -7.230 8.925 1.00 0.00 H +ATOM 1597 HG3 GLU A 118 9.268 -8.116 8.619 1.00 0.00 H +ATOM 1598 HG2 GLU A 118 10.561 -9.031 9.357 1.00 0.00 H +ATOM 1599 N ARG A 119 13.252 -9.286 7.347 1.00 28.64 N +ATOM 1600 CA ARG A 119 13.899 -10.594 7.382 1.00 31.10 C +ATOM 1601 C ARG A 119 14.017 -11.044 8.840 1.00 30.49 C +ATOM 1602 O ARG A 119 14.030 -10.212 9.751 1.00 30.81 O +ATOM 1603 CB ARG A 119 15.266 -10.503 6.667 1.00 31.76 C +ATOM 1604 CG ARG A 119 15.110 -10.508 5.132 1.00 32.25 C +ATOM 1605 CD ARG A 119 16.231 -9.851 4.319 1.00 35.36 C +ATOM 1606 NE ARG A 119 17.586 -10.356 4.603 1.00 36.57 N +ATOM 1607 CZ ARG A 119 18.486 -9.761 5.405 1.00 34.93 C +ATOM 1608 NH1 ARG A 119 18.165 -8.676 6.119 1.00 36.05 N +ATOM 1609 NH2 ARG A 119 19.731 -10.237 5.489 1.00 36.63 N1+ +ATOM 1610 H ARG A 119 13.678 -8.573 7.920 1.00 0.00 H +ATOM 1611 HA ARG A 119 13.288 -11.329 6.863 1.00 0.00 H +ATOM 1612 HB3 ARG A 119 15.783 -9.606 7.005 1.00 0.00 H +ATOM 1613 HB2 ARG A 119 15.905 -11.343 6.946 1.00 0.00 H +ATOM 1614 HG3 ARG A 119 14.269 -9.842 4.950 1.00 0.00 H +ATOM 1615 HG2 ARG A 119 14.795 -11.468 4.728 1.00 0.00 H +ATOM 1616 HD3 ARG A 119 16.142 -8.767 4.252 1.00 0.00 H +ATOM 1617 HD2 ARG A 119 16.080 -10.209 3.300 1.00 0.00 H +ATOM 1618 HE ARG A 119 17.871 -11.157 4.061 1.00 0.00 H +ATOM 1619 HH12 ARG A 119 18.850 -8.207 6.692 1.00 0.00 H +ATOM 1620 HH11 ARG A 119 17.251 -8.263 6.020 1.00 0.00 H +ATOM 1621 HH22 ARG A 119 20.406 -9.799 6.097 1.00 0.00 H +ATOM 1622 HH21 ARG A 119 20.084 -10.957 4.858 1.00 0.00 H +ATOM 1623 N SER A 120 14.076 -12.365 9.025 1.00 32.22 N +ATOM 1624 CA SER A 120 14.273 -13.026 10.311 1.00 32.57 C +ATOM 1625 C SER A 120 15.697 -12.720 10.843 1.00 32.68 C +ATOM 1626 O SER A 120 16.651 -12.854 10.065 1.00 31.36 O +ATOM 1627 CB SER A 120 14.046 -14.535 10.081 1.00 32.71 C +ATOM 1628 OG SER A 120 13.973 -15.239 11.306 1.00 34.94 O +ATOM 1629 H SER A 120 13.999 -12.977 8.220 1.00 0.00 H +ATOM 1630 HA SER A 120 13.498 -12.649 10.975 1.00 0.00 H +ATOM 1631 HB3 SER A 120 13.110 -14.701 9.544 1.00 0.00 H +ATOM 1632 HB2 SER A 120 14.840 -14.966 9.468 1.00 0.00 H +ATOM 1633 HG SER A 120 13.886 -16.179 11.110 1.00 0.00 H +ATOM 1634 N PRO A 121 15.820 -12.243 12.104 1.00 34.84 N +ATOM 1635 CA PRO A 121 17.113 -11.811 12.660 1.00 37.38 C +ATOM 1636 C PRO A 121 18.094 -12.975 12.879 1.00 39.81 C +ATOM 1637 O PRO A 121 17.671 -14.083 13.209 1.00 39.38 O +ATOM 1638 CB PRO A 121 16.724 -11.131 13.984 1.00 38.04 C +ATOM 1639 CG PRO A 121 15.440 -11.822 14.414 1.00 38.85 C +ATOM 1640 CD PRO A 121 14.742 -12.098 13.087 1.00 35.74 C +ATOM 1641 HA PRO A 121 17.573 -11.081 11.991 1.00 0.00 H +ATOM 1642 HB3 PRO A 121 17.501 -11.187 14.749 1.00 0.00 H +ATOM 1643 HB2 PRO A 121 16.527 -10.073 13.801 1.00 0.00 H +ATOM 1644 HG3 PRO A 121 14.837 -11.233 15.106 1.00 0.00 H +ATOM 1645 HG2 PRO A 121 15.683 -12.769 14.900 1.00 0.00 H +ATOM 1646 HD2 PRO A 121 14.110 -12.985 13.158 1.00 0.00 H +ATOM 1647 HD3 PRO A 121 14.119 -11.249 12.804 1.00 0.00 H +ATOM 1648 N ASN A 122 19.392 -12.687 12.709 1.00 41.25 N +ATOM 1649 CA ASN A 122 20.525 -13.615 12.888 1.00 43.22 C +ATOM 1650 C ASN A 122 20.525 -14.756 11.851 1.00 44.35 C +ATOM 1651 O ASN A 122 21.101 -15.818 12.092 1.00 44.32 O +ATOM 1652 CB ASN A 122 20.631 -14.157 14.342 1.00 42.57 C +ATOM 1653 CG ASN A 122 20.821 -13.078 15.409 1.00 44.13 C +ATOM 1654 ND2 ASN A 122 20.398 -13.346 16.638 1.00 42.61 N +ATOM 1655 OD1 ASN A 122 21.364 -12.009 15.146 1.00 43.28 O +ATOM 1656 H ASN A 122 19.649 -11.745 12.455 1.00 0.00 H +ATOM 1657 HA ASN A 122 21.425 -13.033 12.682 1.00 0.00 H +ATOM 1658 HB3 ASN A 122 21.496 -14.817 14.422 1.00 0.00 H +ATOM 1659 HB2 ASN A 122 19.764 -14.772 14.584 1.00 0.00 H +ATOM 1660 HD22 ASN A 122 20.513 -12.664 17.372 1.00 0.00 H +ATOM 1661 HD21 ASN A 122 19.953 -14.226 16.855 1.00 0.00 H +ATOM 1662 N GLU A 123 19.902 -14.514 10.698 1.00 44.87 N +ATOM 1663 CA GLU A 123 19.833 -15.414 9.559 1.00 45.91 C +ATOM 1664 C GLU A 123 19.926 -14.545 8.292 1.00 45.85 C +ATOM 1665 O GLU A 123 19.798 -13.320 8.390 1.00 45.69 O +ATOM 1666 CB GLU A 123 18.541 -16.263 9.692 1.00 46.51 C +ATOM 1667 CG GLU A 123 18.320 -17.354 8.624 1.00 49.83 C +ATOM 1668 CD GLU A 123 19.490 -18.331 8.562 1.00 51.36 C +ATOM 1669 OE1 GLU A 123 19.622 -19.131 9.513 1.00 52.20 O +ATOM 1670 OE2 GLU A 123 20.274 -18.213 7.598 1.00 52.40 O1- +ATOM 1671 H GLU A 123 19.481 -13.610 10.525 1.00 0.00 H +ATOM 1672 HA GLU A 123 20.712 -16.060 9.570 1.00 0.00 H +ATOM 1673 HB3 GLU A 123 17.675 -15.602 9.700 1.00 0.00 H +ATOM 1674 HB2 GLU A 123 18.533 -16.742 10.673 1.00 0.00 H +ATOM 1675 HG3 GLU A 123 18.152 -16.909 7.642 1.00 0.00 H +ATOM 1676 HG2 GLU A 123 17.413 -17.914 8.855 1.00 0.00 H +ATOM 1677 N GLU A 124 20.196 -15.172 7.141 1.00 45.90 N +ATOM 1678 CA GLU A 124 20.366 -14.484 5.869 1.00 46.68 C +ATOM 1679 C GLU A 124 19.301 -14.955 4.869 1.00 46.72 C +ATOM 1680 O GLU A 124 19.110 -16.159 4.689 1.00 46.68 O +ATOM 1681 CB GLU A 124 21.810 -14.712 5.362 1.00 48.60 C +ATOM 1682 CG GLU A 124 22.166 -14.048 4.015 1.00 51.23 C +ATOM 1683 CD GLU A 124 21.951 -12.535 4.035 1.00 52.35 C +ATOM 1684 OE1 GLU A 124 20.821 -12.116 3.703 1.00 52.94 O +ATOM 1685 OE2 GLU A 124 22.891 -11.821 4.437 1.00 53.19 O1- +ATOM 1686 H GLU A 124 20.189 -16.186 7.108 1.00 0.00 H +ATOM 1687 HA GLU A 124 20.225 -13.412 6.015 1.00 0.00 H +ATOM 1688 HB3 GLU A 124 21.995 -15.784 5.278 1.00 0.00 H +ATOM 1689 HB2 GLU A 124 22.509 -14.353 6.120 1.00 0.00 H +ATOM 1690 HG3 GLU A 124 23.210 -14.249 3.772 1.00 0.00 H +ATOM 1691 HG2 GLU A 124 21.580 -14.496 3.215 1.00 0.00 H +ATOM 1692 N TYR A 125 18.682 -13.984 4.189 1.00 44.20 N +ATOM 1693 CA TYR A 125 17.588 -14.185 3.245 1.00 43.39 C +ATOM 1694 C TYR A 125 17.639 -13.172 2.086 1.00 43.25 C +ATOM 1695 O TYR A 125 16.605 -12.769 1.567 1.00 43.62 O +ATOM 1696 CB TYR A 125 16.238 -14.263 3.989 1.00 43.13 C +ATOM 1697 CG TYR A 125 15.499 -15.568 3.766 1.00 42.67 C +ATOM 1698 CD1 TYR A 125 14.957 -15.844 2.497 1.00 41.89 C +ATOM 1699 CD2 TYR A 125 15.343 -16.505 4.810 1.00 42.68 C +ATOM 1700 CE1 TYR A 125 14.233 -17.029 2.281 1.00 41.87 C +ATOM 1701 CE2 TYR A 125 14.626 -17.698 4.586 1.00 40.06 C +ATOM 1702 CZ TYR A 125 14.065 -17.958 3.320 1.00 41.85 C +ATOM 1703 OH TYR A 125 13.355 -19.099 3.093 1.00 42.69 O +ATOM 1704 H TYR A 125 19.001 -13.036 4.328 1.00 0.00 H +ATOM 1705 HA TYR A 125 17.734 -15.142 2.754 1.00 0.00 H +ATOM 1706 HB3 TYR A 125 16.380 -14.124 5.059 1.00 0.00 H +ATOM 1707 HB2 TYR A 125 15.579 -13.450 3.694 1.00 0.00 H +ATOM 1708 HD1 TYR A 125 15.073 -15.136 1.693 1.00 0.00 H +ATOM 1709 HD2 TYR A 125 15.768 -16.311 5.785 1.00 0.00 H +ATOM 1710 HE1 TYR A 125 13.776 -17.208 1.324 1.00 0.00 H +ATOM 1711 HE2 TYR A 125 14.503 -18.411 5.389 1.00 0.00 H +ATOM 1712 HH TYR A 125 13.085 -19.178 2.165 1.00 0.00 H +ATOM 1713 N THR A 126 18.851 -12.810 1.646 1.00 42.92 N +ATOM 1714 CA THR A 126 19.118 -12.006 0.443 1.00 43.57 C +ATOM 1715 C THR A 126 18.668 -12.675 -0.886 1.00 42.84 C +ATOM 1716 O THR A 126 18.733 -12.045 -1.942 1.00 42.17 O +ATOM 1717 CB THR A 126 20.652 -11.697 0.347 1.00 44.90 C +ATOM 1718 CG2 THR A 126 21.557 -12.942 0.323 1.00 45.17 C +ATOM 1719 OG1 THR A 126 21.021 -10.969 -0.811 1.00 44.67 O +ATOM 1720 H THR A 126 19.671 -13.091 2.167 1.00 0.00 H +ATOM 1721 HA THR A 126 18.569 -11.069 0.543 1.00 0.00 H +ATOM 1722 HB THR A 126 20.930 -11.076 1.201 1.00 0.00 H +ATOM 1723 HG21 THR A 126 22.609 -12.655 0.307 1.00 0.00 H +ATOM 1724 HG22 THR A 126 21.414 -13.560 1.204 1.00 0.00 H +ATOM 1725 HG23 THR A 126 21.376 -13.567 -0.552 1.00 0.00 H +ATOM 1726 HG1 THR A 126 20.391 -11.192 -1.514 1.00 0.00 H +ATOM 1727 N TRP A 127 18.316 -13.962 -0.824 1.00 42.95 N +ATOM 1728 CA TRP A 127 18.236 -14.872 -1.958 1.00 43.84 C +ATOM 1729 C TRP A 127 16.797 -15.248 -2.347 1.00 44.40 C +ATOM 1730 O TRP A 127 16.631 -15.918 -3.364 1.00 42.80 O +ATOM 1731 CB TRP A 127 19.088 -16.122 -1.620 1.00 42.89 C +ATOM 1732 CG TRP A 127 18.886 -16.755 -0.268 1.00 42.66 C +ATOM 1733 CD1 TRP A 127 19.489 -16.362 0.880 1.00 44.16 C +ATOM 1734 CD2 TRP A 127 17.986 -17.840 0.112 1.00 43.10 C +ATOM 1735 CE2 TRP A 127 18.087 -18.042 1.523 1.00 43.27 C +ATOM 1736 CE3 TRP A 127 17.088 -18.677 -0.590 1.00 45.46 C +ATOM 1737 NE1 TRP A 127 19.019 -17.117 1.936 1.00 43.55 N +ATOM 1738 CZ2 TRP A 127 17.328 -19.008 2.203 1.00 43.09 C +ATOM 1739 CZ3 TRP A 127 16.330 -19.659 0.079 1.00 44.80 C +ATOM 1740 CH2 TRP A 127 16.443 -19.821 1.473 1.00 45.11 C +ATOM 1741 H TRP A 127 18.221 -14.391 0.084 1.00 0.00 H +ATOM 1742 HA TRP A 127 18.664 -14.413 -2.852 1.00 0.00 H +ATOM 1743 HB3 TRP A 127 18.944 -16.889 -2.381 1.00 0.00 H +ATOM 1744 HB2 TRP A 127 20.142 -15.850 -1.688 1.00 0.00 H +ATOM 1745 HD1 TRP A 127 20.218 -15.568 0.945 1.00 0.00 H +ATOM 1746 HE3 TRP A 127 16.977 -18.557 -1.658 1.00 0.00 H +ATOM 1747 HE1 TRP A 127 19.274 -16.965 2.916 1.00 0.00 H +ATOM 1748 HZ2 TRP A 127 17.415 -19.119 3.274 1.00 0.00 H +ATOM 1749 HZ3 TRP A 127 15.645 -20.281 -0.479 1.00 0.00 H +ATOM 1750 HH2 TRP A 127 15.844 -20.561 1.984 1.00 0.00 H +ATOM 1751 N GLU A 128 15.791 -14.848 -1.556 1.00 45.51 N +ATOM 1752 CA GLU A 128 14.399 -15.274 -1.704 1.00 46.17 C +ATOM 1753 C GLU A 128 13.522 -14.406 -0.777 1.00 44.95 C +ATOM 1754 O GLU A 128 14.034 -13.618 0.025 1.00 45.02 O +ATOM 1755 CB GLU A 128 14.317 -16.808 -1.425 1.00 48.66 C +ATOM 1756 CG GLU A 128 12.932 -17.490 -1.367 1.00 52.56 C +ATOM 1757 CD GLU A 128 13.048 -18.978 -1.048 1.00 55.33 C +ATOM 1758 OE1 GLU A 128 13.322 -19.748 -1.992 1.00 56.74 O +ATOM 1759 OE2 GLU A 128 12.893 -19.326 0.144 1.00 55.59 O1- +ATOM 1760 H GLU A 128 15.954 -14.222 -0.776 1.00 0.00 H +ATOM 1761 HA GLU A 128 14.078 -15.079 -2.729 1.00 0.00 H +ATOM 1762 HB3 GLU A 128 14.866 -17.024 -0.511 1.00 0.00 H +ATOM 1763 HB2 GLU A 128 14.868 -17.328 -2.209 1.00 0.00 H +ATOM 1764 HG3 GLU A 128 12.302 -17.063 -0.594 1.00 0.00 H +ATOM 1765 HG2 GLU A 128 12.404 -17.366 -2.315 1.00 0.00 H +ATOM 1766 N GLU A 129 12.202 -14.559 -0.877 1.00 42.89 N +ATOM 1767 CA GLU A 129 11.257 -14.160 0.153 1.00 42.13 C +ATOM 1768 C GLU A 129 11.463 -14.981 1.441 1.00 41.35 C +ATOM 1769 O GLU A 129 11.140 -16.168 1.483 1.00 39.97 O +ATOM 1770 CB GLU A 129 9.800 -14.251 -0.354 1.00 46.76 C +ATOM 1771 CG GLU A 129 9.429 -15.453 -1.262 1.00 51.38 C +ATOM 1772 CD GLU A 129 9.512 -15.151 -2.758 1.00 54.75 C +ATOM 1773 OE1 GLU A 129 10.404 -14.361 -3.132 1.00 56.39 O +ATOM 1774 OE2 GLU A 129 8.659 -15.685 -3.501 1.00 57.50 O1- +ATOM 1775 H GLU A 129 11.816 -15.154 -1.599 1.00 0.00 H +ATOM 1776 HA GLU A 129 11.437 -13.111 0.388 1.00 0.00 H +ATOM 1777 HB3 GLU A 129 9.571 -13.311 -0.857 1.00 0.00 H +ATOM 1778 HB2 GLU A 129 9.130 -14.272 0.507 1.00 0.00 H +ATOM 1779 HG3 GLU A 129 8.404 -15.753 -1.053 1.00 0.00 H +ATOM 1780 HG2 GLU A 129 10.036 -16.329 -1.031 1.00 0.00 H +ATOM 1781 N ASP A 130 11.963 -14.309 2.484 1.00 38.84 N +ATOM 1782 CA ASP A 130 11.924 -14.736 3.883 1.00 36.35 C +ATOM 1783 C ASP A 130 10.450 -14.980 4.268 1.00 34.79 C +ATOM 1784 O ASP A 130 9.591 -14.255 3.758 1.00 33.59 O +ATOM 1785 CB ASP A 130 12.535 -13.597 4.743 1.00 37.00 C +ATOM 1786 CG ASP A 130 12.843 -13.926 6.204 1.00 37.96 C +ATOM 1787 OD1 ASP A 130 11.876 -14.082 6.979 1.00 37.28 O +ATOM 1788 OD2 ASP A 130 14.040 -13.872 6.564 1.00 37.20 O1- +ATOM 1789 H ASP A 130 12.218 -13.337 2.361 1.00 0.00 H +ATOM 1790 HA ASP A 130 12.510 -15.646 3.984 1.00 0.00 H +ATOM 1791 HB3 ASP A 130 11.908 -12.703 4.726 1.00 0.00 H +ATOM 1792 HB2 ASP A 130 13.462 -13.276 4.277 1.00 0.00 H +ATOM 1793 N PRO A 131 10.154 -15.920 5.192 1.00 34.64 N +ATOM 1794 CA PRO A 131 8.830 -15.994 5.835 1.00 33.09 C +ATOM 1795 C PRO A 131 8.170 -14.652 6.225 1.00 30.37 C +ATOM 1796 O PRO A 131 6.954 -14.545 6.075 1.00 29.21 O +ATOM 1797 CB PRO A 131 9.084 -16.896 7.050 1.00 34.60 C +ATOM 1798 CG PRO A 131 10.165 -17.854 6.568 1.00 35.14 C +ATOM 1799 CD PRO A 131 11.042 -16.982 5.673 1.00 34.51 C +ATOM 1800 HA PRO A 131 8.175 -16.509 5.130 1.00 0.00 H +ATOM 1801 HB3 PRO A 131 8.185 -17.416 7.382 1.00 0.00 H +ATOM 1802 HB2 PRO A 131 9.460 -16.309 7.890 1.00 0.00 H +ATOM 1803 HG3 PRO A 131 9.705 -18.639 5.965 1.00 0.00 H +ATOM 1804 HG2 PRO A 131 10.716 -18.335 7.377 1.00 0.00 H +ATOM 1805 HD2 PRO A 131 11.864 -16.562 6.251 1.00 0.00 H +ATOM 1806 HD3 PRO A 131 11.470 -17.563 4.854 1.00 0.00 H +ATOM 1807 N LEU A 132 8.971 -13.666 6.656 1.00 28.68 N +ATOM 1808 CA LEU A 132 8.570 -12.305 7.020 1.00 26.61 C +ATOM 1809 C LEU A 132 8.573 -11.291 5.849 1.00 26.87 C +ATOM 1810 O LEU A 132 8.215 -10.136 6.082 1.00 24.37 O +ATOM 1811 CB LEU A 132 9.500 -11.808 8.152 1.00 25.86 C +ATOM 1812 CG LEU A 132 9.524 -12.672 9.434 1.00 27.89 C +ATOM 1813 CD1 LEU A 132 10.565 -12.134 10.436 1.00 26.82 C +ATOM 1814 CD2 LEU A 132 8.133 -12.827 10.082 1.00 27.95 C +ATOM 1815 H LEU A 132 9.969 -13.843 6.729 1.00 0.00 H +ATOM 1816 HA LEU A 132 7.548 -12.326 7.395 1.00 0.00 H +ATOM 1817 HB3 LEU A 132 10.516 -11.744 7.762 1.00 0.00 H +ATOM 1818 HB2 LEU A 132 9.222 -10.789 8.424 1.00 0.00 H +ATOM 1819 HG LEU A 132 9.865 -13.670 9.153 1.00 0.00 H +ATOM 1820 HD11 LEU A 132 11.176 -12.947 10.827 1.00 0.00 H +ATOM 1821 HD12 LEU A 132 11.241 -11.411 9.979 1.00 0.00 H +ATOM 1822 HD13 LEU A 132 10.108 -11.633 11.289 1.00 0.00 H +ATOM 1823 HD21 LEU A 132 8.165 -12.733 11.168 1.00 0.00 H +ATOM 1824 HD22 LEU A 132 7.431 -12.077 9.723 1.00 0.00 H +ATOM 1825 HD23 LEU A 132 7.717 -13.811 9.867 1.00 0.00 H +ATOM 1826 N ALA A 133 8.950 -11.692 4.626 1.00 25.36 N +ATOM 1827 CA ALA A 133 8.983 -10.830 3.438 1.00 25.95 C +ATOM 1828 C ALA A 133 7.575 -10.475 2.956 1.00 25.66 C +ATOM 1829 O ALA A 133 6.723 -11.361 2.932 1.00 23.39 O +ATOM 1830 CB ALA A 133 9.696 -11.568 2.304 1.00 22.78 C +ATOM 1831 H ALA A 133 9.159 -12.672 4.457 1.00 0.00 H +ATOM 1832 HA ALA A 133 9.535 -9.921 3.685 1.00 0.00 H +ATOM 1833 HB1 ALA A 133 9.970 -10.889 1.498 1.00 0.00 H +ATOM 1834 HB2 ALA A 133 10.601 -12.030 2.677 1.00 0.00 H +ATOM 1835 HB3 ALA A 133 9.076 -12.359 1.881 1.00 0.00 H +ATOM 1836 N GLY A 134 7.370 -9.219 2.557 1.00 26.37 N +ATOM 1837 CA GLY A 134 6.062 -8.703 2.173 1.00 24.19 C +ATOM 1838 C GLY A 134 5.841 -8.821 0.662 1.00 26.33 C +ATOM 1839 O GLY A 134 6.544 -9.539 -0.056 1.00 25.05 O +ATOM 1840 H GLY A 134 8.134 -8.552 2.534 1.00 0.00 H +ATOM 1841 HA3 GLY A 134 5.998 -7.658 2.475 1.00 0.00 H +ATOM 1842 HA2 GLY A 134 5.258 -9.226 2.694 1.00 0.00 H +ATOM 1843 N ILE A 135 4.821 -8.096 0.196 1.00 26.17 N +ATOM 1844 CA ILE A 135 4.276 -8.134 -1.156 1.00 26.40 C +ATOM 1845 C ILE A 135 5.297 -7.803 -2.262 1.00 27.39 C +ATOM 1846 O ILE A 135 5.349 -8.546 -3.237 1.00 28.26 O +ATOM 1847 CB ILE A 135 3.038 -7.179 -1.266 1.00 27.45 C +ATOM 1848 CG1 ILE A 135 1.885 -7.685 -0.361 1.00 25.10 C +ATOM 1849 CG2 ILE A 135 2.527 -6.913 -2.701 1.00 27.06 C +ATOM 1850 CD1 ILE A 135 0.662 -6.760 -0.284 1.00 23.56 C +ATOM 1851 H ILE A 135 4.304 -7.527 0.859 1.00 0.00 H +ATOM 1852 HA ILE A 135 3.937 -9.158 -1.326 1.00 0.00 H +ATOM 1853 HB ILE A 135 3.345 -6.209 -0.875 1.00 0.00 H +ATOM 1854 HG13 ILE A 135 2.240 -7.847 0.651 1.00 0.00 H +ATOM 1855 HG12 ILE A 135 1.568 -8.676 -0.669 1.00 0.00 H +ATOM 1856 HG21 ILE A 135 1.665 -6.247 -2.707 1.00 0.00 H +ATOM 1857 HG22 ILE A 135 3.273 -6.425 -3.327 1.00 0.00 H +ATOM 1858 HG23 ILE A 135 2.236 -7.834 -3.196 1.00 0.00 H +ATOM 1859 HD11 ILE A 135 0.035 -7.033 0.564 1.00 0.00 H +ATOM 1860 HD12 ILE A 135 0.955 -5.716 -0.161 1.00 0.00 H +ATOM 1861 HD13 ILE A 135 0.041 -6.835 -1.176 1.00 0.00 H +ATOM 1862 N ILE A 136 6.089 -6.730 -2.084 1.00 28.24 N +ATOM 1863 CA ILE A 136 7.102 -6.252 -3.032 1.00 28.10 C +ATOM 1864 C ILE A 136 8.163 -7.315 -3.417 1.00 28.82 C +ATOM 1865 O ILE A 136 8.201 -7.653 -4.598 1.00 28.49 O +ATOM 1866 CB ILE A 136 7.764 -4.914 -2.565 1.00 28.83 C +ATOM 1867 CG1 ILE A 136 6.761 -3.742 -2.702 1.00 30.10 C +ATOM 1868 CG2 ILE A 136 9.083 -4.530 -3.276 1.00 28.01 C +ATOM 1869 CD1 ILE A 136 7.109 -2.486 -1.892 1.00 29.54 C +ATOM 1870 H ILE A 136 5.975 -6.171 -1.246 1.00 0.00 H +ATOM 1871 HA ILE A 136 6.556 -6.028 -3.951 1.00 0.00 H +ATOM 1872 HB ILE A 136 7.980 -5.006 -1.501 1.00 0.00 H +ATOM 1873 HG13 ILE A 136 5.762 -4.059 -2.398 1.00 0.00 H +ATOM 1874 HG12 ILE A 136 6.680 -3.460 -3.750 1.00 0.00 H +ATOM 1875 HG21 ILE A 136 9.450 -3.559 -2.946 1.00 0.00 H +ATOM 1876 HG22 ILE A 136 9.887 -5.238 -3.082 1.00 0.00 H +ATOM 1877 HG23 ILE A 136 8.943 -4.461 -4.355 1.00 0.00 H +ATOM 1878 HD11 ILE A 136 6.248 -1.820 -1.829 1.00 0.00 H +ATOM 1879 HD12 ILE A 136 7.394 -2.735 -0.872 1.00 0.00 H +ATOM 1880 HD13 ILE A 136 7.921 -1.921 -2.348 1.00 0.00 H +ATOM 1881 N PRO A 137 8.971 -7.860 -2.472 1.00 27.97 N +ATOM 1882 CA PRO A 137 10.002 -8.860 -2.824 1.00 29.98 C +ATOM 1883 C PRO A 137 9.456 -10.163 -3.437 1.00 31.46 C +ATOM 1884 O PRO A 137 10.072 -10.672 -4.373 1.00 32.74 O +ATOM 1885 CB PRO A 137 10.759 -9.105 -1.511 1.00 30.07 C +ATOM 1886 CG PRO A 137 9.806 -8.664 -0.411 1.00 28.98 C +ATOM 1887 CD PRO A 137 9.058 -7.505 -1.053 1.00 26.54 C +ATOM 1888 HA PRO A 137 10.689 -8.420 -3.550 1.00 0.00 H +ATOM 1889 HB3 PRO A 137 11.647 -8.474 -1.496 1.00 0.00 H +ATOM 1890 HB2 PRO A 137 11.094 -10.135 -1.379 1.00 0.00 H +ATOM 1891 HG3 PRO A 137 10.305 -8.393 0.521 1.00 0.00 H +ATOM 1892 HG2 PRO A 137 9.110 -9.473 -0.190 1.00 0.00 H +ATOM 1893 HD2 PRO A 137 8.098 -7.342 -0.566 1.00 0.00 H +ATOM 1894 HD3 PRO A 137 9.646 -6.592 -0.955 1.00 0.00 H +ATOM 1895 N ARG A 138 8.291 -10.633 -2.953 1.00 32.19 N +ATOM 1896 CA ARG A 138 7.564 -11.770 -3.522 1.00 31.81 C +ATOM 1897 C ARG A 138 7.045 -11.500 -4.942 1.00 34.98 C +ATOM 1898 O ARG A 138 7.130 -12.404 -5.767 1.00 35.97 O +ATOM 1899 CB ARG A 138 6.390 -12.167 -2.613 1.00 31.32 C +ATOM 1900 CG ARG A 138 6.811 -12.654 -1.222 1.00 28.44 C +ATOM 1901 CD ARG A 138 5.631 -12.866 -0.271 1.00 28.17 C +ATOM 1902 NE ARG A 138 6.079 -13.388 1.026 1.00 28.21 N +ATOM 1903 CZ ARG A 138 6.360 -14.664 1.326 1.00 30.29 C +ATOM 1904 NH1 ARG A 138 6.197 -15.655 0.443 1.00 28.82 N +ATOM 1905 NH2 ARG A 138 6.828 -14.964 2.539 1.00 28.61 N1+ +ATOM 1906 H ARG A 138 7.841 -10.158 -2.182 1.00 0.00 H +ATOM 1907 HA ARG A 138 8.256 -12.613 -3.574 1.00 0.00 H +ATOM 1908 HB3 ARG A 138 5.815 -12.964 -3.090 1.00 0.00 H +ATOM 1909 HB2 ARG A 138 5.713 -11.318 -2.509 1.00 0.00 H +ATOM 1910 HG3 ARG A 138 7.456 -11.898 -0.775 1.00 0.00 H +ATOM 1911 HG2 ARG A 138 7.394 -13.566 -1.298 1.00 0.00 H +ATOM 1912 HD3 ARG A 138 4.827 -13.454 -0.711 1.00 0.00 H +ATOM 1913 HD2 ARG A 138 5.221 -11.883 -0.050 1.00 0.00 H +ATOM 1914 HE ARG A 138 6.253 -12.666 1.722 1.00 0.00 H +ATOM 1915 HH12 ARG A 138 6.447 -16.600 0.701 1.00 0.00 H +ATOM 1916 HH11 ARG A 138 5.938 -15.480 -0.526 1.00 0.00 H +ATOM 1917 HH22 ARG A 138 7.071 -15.927 2.758 1.00 0.00 H +ATOM 1918 HH21 ARG A 138 7.059 -14.241 3.206 1.00 0.00 H +ATOM 1919 N THR A 139 6.545 -10.279 -5.212 1.00 35.78 N +ATOM 1920 CA THR A 139 6.072 -9.851 -6.532 1.00 36.79 C +ATOM 1921 C THR A 139 7.210 -9.849 -7.563 1.00 37.82 C +ATOM 1922 O THR A 139 7.039 -10.481 -8.602 1.00 35.78 O +ATOM 1923 CB THR A 139 5.410 -8.444 -6.515 1.00 37.62 C +ATOM 1924 CG2 THR A 139 4.949 -7.882 -7.869 1.00 37.13 C +ATOM 1925 OG1 THR A 139 4.269 -8.504 -5.683 1.00 35.78 O +ATOM 1926 H THR A 139 6.500 -9.585 -4.476 1.00 0.00 H +ATOM 1927 HA THR A 139 5.325 -10.575 -6.863 1.00 0.00 H +ATOM 1928 HB THR A 139 6.096 -7.722 -6.071 1.00 0.00 H +ATOM 1929 HG21 THR A 139 4.446 -6.926 -7.735 1.00 0.00 H +ATOM 1930 HG22 THR A 139 5.788 -7.698 -8.539 1.00 0.00 H +ATOM 1931 HG23 THR A 139 4.256 -8.558 -8.368 1.00 0.00 H +ATOM 1932 HG1 THR A 139 4.578 -8.536 -4.759 1.00 0.00 H +ATOM 1933 N LEU A 140 8.347 -9.197 -7.248 1.00 39.09 N +ATOM 1934 CA LEU A 140 9.530 -9.167 -8.114 1.00 40.74 C +ATOM 1935 C LEU A 140 10.081 -10.572 -8.401 1.00 42.29 C +ATOM 1936 O LEU A 140 10.299 -10.886 -9.569 1.00 42.16 O +ATOM 1937 CB LEU A 140 10.649 -8.271 -7.529 1.00 40.56 C +ATOM 1938 CG LEU A 140 10.543 -6.747 -7.762 1.00 42.13 C +ATOM 1939 CD1 LEU A 140 10.279 -6.353 -9.225 1.00 41.68 C +ATOM 1940 CD2 LEU A 140 9.579 -6.054 -6.799 1.00 45.74 C +ATOM 1941 H LEU A 140 8.422 -8.711 -6.364 1.00 0.00 H +ATOM 1942 HA LEU A 140 9.209 -8.767 -9.074 1.00 0.00 H +ATOM 1943 HB3 LEU A 140 11.584 -8.568 -8.000 1.00 0.00 H +ATOM 1944 HB2 LEU A 140 10.785 -8.482 -6.467 1.00 0.00 H +ATOM 1945 HG LEU A 140 11.531 -6.350 -7.519 1.00 0.00 H +ATOM 1946 HD11 LEU A 140 10.908 -5.516 -9.524 1.00 0.00 H +ATOM 1947 HD12 LEU A 140 10.492 -7.164 -9.921 1.00 0.00 H +ATOM 1948 HD13 LEU A 140 9.242 -6.055 -9.367 1.00 0.00 H +ATOM 1949 HD21 LEU A 140 9.566 -4.982 -6.978 1.00 0.00 H +ATOM 1950 HD22 LEU A 140 8.558 -6.421 -6.908 1.00 0.00 H +ATOM 1951 HD23 LEU A 140 9.904 -6.199 -5.769 1.00 0.00 H +ATOM 1952 N HIS A 141 10.239 -11.399 -7.352 1.00 42.88 N +ATOM 1953 CA HIS A 141 10.691 -12.788 -7.454 1.00 44.87 C +ATOM 1954 C HIS A 141 9.795 -13.648 -8.362 1.00 44.22 C +ATOM 1955 O HIS A 141 10.317 -14.322 -9.247 1.00 43.81 O +ATOM 1956 CB HIS A 141 10.824 -13.401 -6.045 1.00 46.81 C +ATOM 1957 CG HIS A 141 11.360 -14.812 -6.031 1.00 50.62 C +ATOM 1958 CD2 HIS A 141 12.647 -15.291 -5.928 1.00 51.05 C +ATOM 1959 ND1 HIS A 141 10.553 -15.933 -6.145 1.00 52.14 N +ATOM 1960 CE1 HIS A 141 11.359 -16.998 -6.146 1.00 52.04 C +ATOM 1961 NE2 HIS A 141 12.643 -16.684 -6.016 1.00 50.72 N +ATOM 1962 H HIS A 141 10.026 -11.068 -6.420 1.00 0.00 H +ATOM 1963 HA HIS A 141 11.686 -12.766 -7.904 1.00 0.00 H +ATOM 1964 HB3 HIS A 141 9.863 -13.388 -5.530 1.00 0.00 H +ATOM 1965 HB2 HIS A 141 11.498 -12.789 -5.445 1.00 0.00 H +ATOM 1966 HD2 HIS A 141 13.569 -14.742 -5.813 1.00 0.00 H +ATOM 1967 HD1 HIS A 141 9.549 -15.950 -6.254 1.00 0.00 H +ATOM 1968 HE1 HIS A 141 11.003 -18.013 -6.248 1.00 0.00 H +ATOM 1969 N GLN A 142 8.472 -13.581 -8.133 1.00 43.78 N +ATOM 1970 CA GLN A 142 7.465 -14.321 -8.890 1.00 44.19 C +ATOM 1971 C GLN A 142 7.294 -13.851 -10.342 1.00 44.75 C +ATOM 1972 O GLN A 142 6.953 -14.684 -11.176 1.00 45.21 O +ATOM 1973 CB GLN A 142 6.123 -14.318 -8.135 1.00 45.44 C +ATOM 1974 CG GLN A 142 6.117 -15.167 -6.845 1.00 48.56 C +ATOM 1975 CD GLN A 142 6.029 -16.669 -7.113 1.00 50.10 C +ATOM 1976 NE2 GLN A 142 4.834 -17.245 -6.971 1.00 51.81 N +ATOM 1977 OE1 GLN A 142 7.031 -17.307 -7.427 1.00 49.63 O +ATOM 1978 H GLN A 142 8.123 -12.995 -7.386 1.00 0.00 H +ATOM 1979 HA GLN A 142 7.816 -15.349 -8.945 1.00 0.00 H +ATOM 1980 HB3 GLN A 142 5.317 -14.660 -8.787 1.00 0.00 H +ATOM 1981 HB2 GLN A 142 5.871 -13.286 -7.890 1.00 0.00 H +ATOM 1982 HG3 GLN A 142 5.279 -14.876 -6.216 1.00 0.00 H +ATOM 1983 HG2 GLN A 142 7.010 -14.975 -6.251 1.00 0.00 H +ATOM 1984 HE22 GLN A 142 4.732 -18.235 -7.141 1.00 0.00 H +ATOM 1985 HE21 GLN A 142 4.027 -16.697 -6.713 1.00 0.00 H +ATOM 1986 N ILE A 143 7.579 -12.571 -10.646 1.00 43.60 N +ATOM 1987 CA ILE A 143 7.653 -12.062 -12.021 1.00 43.61 C +ATOM 1988 C ILE A 143 8.760 -12.774 -12.822 1.00 45.62 C +ATOM 1989 O ILE A 143 8.468 -13.299 -13.894 1.00 44.70 O +ATOM 1990 CB ILE A 143 7.839 -10.513 -12.090 1.00 42.40 C +ATOM 1991 CG1 ILE A 143 6.530 -9.796 -11.693 1.00 40.31 C +ATOM 1992 CG2 ILE A 143 8.343 -9.967 -13.450 1.00 40.71 C +ATOM 1993 CD1 ILE A 143 6.724 -8.332 -11.260 1.00 38.90 C +ATOM 1994 H ILE A 143 7.831 -11.922 -9.912 1.00 0.00 H +ATOM 1995 HA ILE A 143 6.703 -12.303 -12.505 1.00 0.00 H +ATOM 1996 HB ILE A 143 8.588 -10.241 -11.347 1.00 0.00 H +ATOM 1997 HG13 ILE A 143 6.041 -10.330 -10.881 1.00 0.00 H +ATOM 1998 HG12 ILE A 143 5.820 -9.846 -12.517 1.00 0.00 H +ATOM 1999 HG21 ILE A 143 8.383 -8.880 -13.455 1.00 0.00 H +ATOM 2000 HG22 ILE A 143 9.352 -10.305 -13.685 1.00 0.00 H +ATOM 2001 HG23 ILE A 143 7.687 -10.273 -14.266 1.00 0.00 H +ATOM 2002 HD11 ILE A 143 5.787 -7.905 -10.904 1.00 0.00 H +ATOM 2003 HD12 ILE A 143 7.449 -8.251 -10.451 1.00 0.00 H +ATOM 2004 HD13 ILE A 143 7.071 -7.704 -12.079 1.00 0.00 H +ATOM 2005 N PHE A 144 9.976 -12.850 -12.251 1.00 46.96 N +ATOM 2006 CA PHE A 144 11.096 -13.603 -12.822 1.00 49.07 C +ATOM 2007 C PHE A 144 10.921 -15.129 -12.787 1.00 50.61 C +ATOM 2008 O PHE A 144 11.668 -15.805 -13.484 1.00 51.54 O +ATOM 2009 CB PHE A 144 12.425 -13.211 -12.148 1.00 48.69 C +ATOM 2010 CG PHE A 144 12.876 -11.795 -12.437 1.00 49.25 C +ATOM 2011 CD1 PHE A 144 13.271 -11.422 -13.738 1.00 49.30 C +ATOM 2012 CD2 PHE A 144 12.811 -10.814 -11.429 1.00 48.10 C +ATOM 2013 CE1 PHE A 144 13.560 -10.095 -14.019 1.00 48.65 C +ATOM 2014 CE2 PHE A 144 13.094 -9.492 -11.730 1.00 49.28 C +ATOM 2015 CZ PHE A 144 13.458 -9.137 -13.021 1.00 49.42 C +ATOM 2016 H PHE A 144 10.137 -12.411 -11.355 1.00 0.00 H +ATOM 2017 HA PHE A 144 11.164 -13.336 -13.878 1.00 0.00 H +ATOM 2018 HB3 PHE A 144 13.227 -13.877 -12.472 1.00 0.00 H +ATOM 2019 HB2 PHE A 144 12.336 -13.351 -11.071 1.00 0.00 H +ATOM 2020 HD1 PHE A 144 13.341 -12.164 -14.518 1.00 0.00 H +ATOM 2021 HD2 PHE A 144 12.546 -11.088 -10.421 1.00 0.00 H +ATOM 2022 HE1 PHE A 144 13.856 -9.805 -15.017 1.00 0.00 H +ATOM 2023 HE2 PHE A 144 13.025 -8.740 -10.959 1.00 0.00 H +ATOM 2024 HZ PHE A 144 13.663 -8.108 -13.252 1.00 0.00 H +ATOM 2025 N GLU A 145 9.965 -15.654 -12.004 1.00 51.76 N +ATOM 2026 CA GLU A 145 9.667 -17.082 -11.963 1.00 53.26 C +ATOM 2027 C GLU A 145 8.660 -17.463 -13.058 1.00 53.56 C +ATOM 2028 O GLU A 145 8.912 -18.413 -13.793 1.00 53.41 O +ATOM 2029 CB GLU A 145 9.177 -17.471 -10.550 1.00 54.78 C +ATOM 2030 CG GLU A 145 8.994 -18.983 -10.301 1.00 58.42 C +ATOM 2031 CD GLU A 145 10.307 -19.760 -10.416 1.00 60.55 C +ATOM 2032 OE1 GLU A 145 10.591 -20.239 -11.536 1.00 61.57 O +ATOM 2033 OE2 GLU A 145 11.010 -19.848 -9.386 1.00 60.12 O1- +ATOM 2034 H GLU A 145 9.397 -15.052 -11.426 1.00 0.00 H +ATOM 2035 HA GLU A 145 10.592 -17.628 -12.158 1.00 0.00 H +ATOM 2036 HB3 GLU A 145 8.218 -16.991 -10.362 1.00 0.00 H +ATOM 2037 HB2 GLU A 145 9.862 -17.069 -9.801 1.00 0.00 H +ATOM 2038 HG3 GLU A 145 8.264 -19.403 -10.992 1.00 0.00 H +ATOM 2039 HG2 GLU A 145 8.587 -19.138 -9.301 1.00 0.00 H +ATOM 2040 N LYS A 146 7.547 -16.715 -13.154 1.00 52.91 N +ATOM 2041 CA LYS A 146 6.419 -17.043 -14.025 1.00 53.75 C +ATOM 2042 C LYS A 146 6.602 -16.606 -15.491 1.00 54.11 C +ATOM 2043 O LYS A 146 5.935 -17.187 -16.344 1.00 53.73 O +ATOM 2044 CB LYS A 146 5.108 -16.490 -13.421 1.00 54.00 C +ATOM 2045 CG LYS A 146 4.802 -17.056 -12.015 1.00 56.01 C +ATOM 2046 CD LYS A 146 3.341 -17.466 -11.782 1.00 56.78 C +ATOM 2047 CE LYS A 146 2.329 -16.317 -11.874 1.00 56.67 C +ATOM 2048 NZ LYS A 146 0.970 -16.804 -11.585 1.00 56.24 N1+ +ATOM 2049 H LYS A 146 7.412 -15.934 -12.524 1.00 0.00 H +ATOM 2050 HA LYS A 146 6.322 -18.130 -14.050 1.00 0.00 H +ATOM 2051 HB3 LYS A 146 4.290 -16.750 -14.096 1.00 0.00 H +ATOM 2052 HB2 LYS A 146 5.128 -15.399 -13.383 1.00 0.00 H +ATOM 2053 HG3 LYS A 146 5.080 -16.330 -11.253 1.00 0.00 H +ATOM 2054 HG2 LYS A 146 5.426 -17.930 -11.823 1.00 0.00 H +ATOM 2055 HD3 LYS A 146 3.266 -17.933 -10.799 1.00 0.00 H +ATOM 2056 HD2 LYS A 146 3.074 -18.243 -12.499 1.00 0.00 H +ATOM 2057 HE3 LYS A 146 2.336 -15.874 -12.870 1.00 0.00 H +ATOM 2058 HE2 LYS A 146 2.577 -15.526 -11.166 1.00 0.00 H +ATOM 2059 HZ1 LYS A 146 0.313 -16.035 -11.711 1.00 0.00 H +ATOM 2060 HZ2 LYS A 146 0.726 -17.544 -12.226 1.00 0.00 H +ATOM 2061 HZ3 LYS A 146 0.912 -17.139 -10.635 1.00 0.00 H +ATOM 2062 N LEU A 147 7.481 -15.626 -15.776 1.00 53.89 N +ATOM 2063 CA LEU A 147 7.756 -15.162 -17.144 1.00 54.30 C +ATOM 2064 C LEU A 147 9.021 -15.793 -17.738 1.00 56.38 C +ATOM 2065 O LEU A 147 9.050 -15.961 -18.956 1.00 57.15 O +ATOM 2066 CB LEU A 147 7.847 -13.621 -17.205 1.00 52.68 C +ATOM 2067 CG LEU A 147 6.505 -12.906 -17.449 1.00 51.66 C +ATOM 2068 CD1 LEU A 147 5.415 -13.293 -16.436 1.00 49.87 C +ATOM 2069 CD2 LEU A 147 6.721 -11.386 -17.487 1.00 48.79 C +ATOM 2070 H LEU A 147 7.981 -15.163 -15.029 1.00 0.00 H +ATOM 2071 HA LEU A 147 6.941 -15.460 -17.807 1.00 0.00 H +ATOM 2072 HB3 LEU A 147 8.484 -13.335 -18.041 1.00 0.00 H +ATOM 2073 HB2 LEU A 147 8.352 -13.229 -16.326 1.00 0.00 H +ATOM 2074 HG LEU A 147 6.140 -13.201 -18.434 1.00 0.00 H +ATOM 2075 HD11 LEU A 147 4.689 -12.497 -16.303 1.00 0.00 H +ATOM 2076 HD12 LEU A 147 4.865 -14.173 -16.770 1.00 0.00 H +ATOM 2077 HD13 LEU A 147 5.833 -13.509 -15.453 1.00 0.00 H +ATOM 2078 HD21 LEU A 147 5.790 -10.837 -17.355 1.00 0.00 H +ATOM 2079 HD22 LEU A 147 7.413 -11.056 -16.711 1.00 0.00 H +ATOM 2080 HD23 LEU A 147 7.142 -11.090 -18.446 1.00 0.00 H +ATOM 2081 N THR A 148 10.023 -16.145 -16.908 1.00 57.67 N +ATOM 2082 CA THR A 148 11.213 -16.880 -17.366 1.00 58.54 C +ATOM 2083 C THR A 148 10.911 -18.372 -17.624 1.00 60.02 C +ATOM 2084 O THR A 148 11.578 -18.975 -18.464 1.00 59.77 O +ATOM 2085 CB THR A 148 12.398 -16.790 -16.369 1.00 58.20 C +ATOM 2086 CG2 THR A 148 13.711 -17.462 -16.813 1.00 58.05 C +ATOM 2087 OG1 THR A 148 12.699 -15.430 -16.128 1.00 58.85 O +ATOM 2088 H THR A 148 9.942 -15.981 -15.915 1.00 0.00 H +ATOM 2089 HA THR A 148 11.541 -16.445 -18.313 1.00 0.00 H +ATOM 2090 HB THR A 148 12.099 -17.249 -15.428 1.00 0.00 H +ATOM 2091 HG21 THR A 148 14.521 -17.233 -16.119 1.00 0.00 H +ATOM 2092 HG22 THR A 148 13.624 -18.548 -16.845 1.00 0.00 H +ATOM 2093 HG23 THR A 148 14.015 -17.118 -17.802 1.00 0.00 H +ATOM 2094 HG1 THR A 148 12.016 -15.073 -15.555 1.00 0.00 H +ATOM 2095 N ASP A 149 9.875 -18.911 -16.951 1.00 61.81 N +ATOM 2096 CA ASP A 149 9.267 -20.222 -17.208 1.00 63.39 C +ATOM 2097 C ASP A 149 8.766 -20.309 -18.663 1.00 64.18 C +ATOM 2098 O ASP A 149 9.130 -21.244 -19.378 1.00 64.37 O +ATOM 2099 CB ASP A 149 8.166 -20.510 -16.151 1.00 64.12 C +ATOM 2100 CG ASP A 149 7.437 -21.862 -16.207 1.00 65.61 C +ATOM 2101 OD1 ASP A 149 7.049 -22.302 -17.310 1.00 66.85 O +ATOM 2102 OD2 ASP A 149 7.185 -22.397 -15.106 1.00 67.42 O1- +ATOM 2103 H ASP A 149 9.398 -18.345 -16.264 1.00 0.00 H +ATOM 2104 HA ASP A 149 10.053 -20.970 -17.085 1.00 0.00 H +ATOM 2105 HB3 ASP A 149 7.417 -19.717 -16.146 1.00 0.00 H +ATOM 2106 HB2 ASP A 149 8.656 -20.479 -15.178 1.00 0.00 H +ATOM 2107 N ASN A 150 7.991 -19.295 -19.075 1.00 64.99 N +ATOM 2108 CA ASN A 150 7.503 -19.108 -20.440 1.00 65.74 C +ATOM 2109 C ASN A 150 8.623 -18.599 -21.367 1.00 65.03 C +ATOM 2110 O ASN A 150 9.640 -18.083 -20.902 1.00 65.91 O +ATOM 2111 CB ASN A 150 6.314 -18.117 -20.411 1.00 67.17 C +ATOM 2112 CG ASN A 150 5.075 -18.672 -19.694 1.00 68.38 C +ATOM 2113 ND2 ASN A 150 3.961 -18.813 -20.414 1.00 69.67 N +ATOM 2114 OD1 ASN A 150 5.109 -18.958 -18.501 1.00 69.69 O +ATOM 2115 H ASN A 150 7.740 -18.575 -18.414 1.00 0.00 H +ATOM 2116 HA ASN A 150 7.152 -20.081 -20.790 1.00 0.00 H +ATOM 2117 HB3 ASN A 150 6.027 -17.850 -21.429 1.00 0.00 H +ATOM 2118 HB2 ASN A 150 6.606 -17.184 -19.925 1.00 0.00 H +ATOM 2119 HD22 ASN A 150 3.127 -19.173 -19.975 1.00 0.00 H +ATOM 2120 HD21 ASN A 150 3.941 -18.561 -21.391 1.00 0.00 H +ATOM 2121 N GLY A 151 8.381 -18.707 -22.683 1.00 64.36 N +ATOM 2122 CA GLY A 151 9.254 -18.177 -23.735 1.00 63.41 C +ATOM 2123 C GLY A 151 9.121 -16.651 -23.909 1.00 62.81 C +ATOM 2124 O GLY A 151 9.582 -16.127 -24.921 1.00 63.61 O +ATOM 2125 H GLY A 151 7.522 -19.141 -22.988 1.00 0.00 H +ATOM 2126 HA3 GLY A 151 8.994 -18.661 -24.677 1.00 0.00 H +ATOM 2127 HA2 GLY A 151 10.295 -18.426 -23.527 1.00 0.00 H +ATOM 2128 N THR A 152 8.484 -15.946 -22.955 1.00 60.95 N +ATOM 2129 CA THR A 152 8.263 -14.502 -22.966 1.00 59.02 C +ATOM 2130 C THR A 152 9.591 -13.727 -22.903 1.00 58.13 C +ATOM 2131 O THR A 152 10.401 -13.983 -22.012 1.00 57.82 O +ATOM 2132 CB THR A 152 7.388 -14.042 -21.764 1.00 59.09 C +ATOM 2133 CG2 THR A 152 6.948 -12.567 -21.826 1.00 57.71 C +ATOM 2134 OG1 THR A 152 6.205 -14.814 -21.701 1.00 59.39 O +ATOM 2135 H THR A 152 8.181 -16.432 -22.125 1.00 0.00 H +ATOM 2136 HA THR A 152 7.752 -14.256 -23.897 1.00 0.00 H +ATOM 2137 HB THR A 152 7.929 -14.208 -20.831 1.00 0.00 H +ATOM 2138 HG21 THR A 152 6.385 -12.287 -20.935 1.00 0.00 H +ATOM 2139 HG22 THR A 152 7.793 -11.887 -21.901 1.00 0.00 H +ATOM 2140 HG23 THR A 152 6.310 -12.378 -22.690 1.00 0.00 H +ATOM 2141 HG1 THR A 152 6.443 -15.727 -21.526 1.00 0.00 H +ATOM 2142 N GLU A 153 9.774 -12.797 -23.849 1.00 56.97 N +ATOM 2143 CA GLU A 153 10.891 -11.860 -23.880 1.00 56.69 C +ATOM 2144 C GLU A 153 10.462 -10.598 -23.125 1.00 55.11 C +ATOM 2145 O GLU A 153 9.658 -9.837 -23.657 1.00 55.09 O +ATOM 2146 CB GLU A 153 11.275 -11.616 -25.356 1.00 57.96 C +ATOM 2147 CG GLU A 153 12.292 -10.482 -25.596 1.00 60.39 C +ATOM 2148 CD GLU A 153 12.696 -10.379 -27.066 1.00 61.93 C +ATOM 2149 OE1 GLU A 153 13.214 -11.391 -27.588 1.00 62.34 O +ATOM 2150 OE2 GLU A 153 12.491 -9.289 -27.643 1.00 61.46 O1- +ATOM 2151 H GLU A 153 9.073 -12.664 -24.566 1.00 0.00 H +ATOM 2152 HA GLU A 153 11.762 -12.285 -23.377 1.00 0.00 H +ATOM 2153 HB3 GLU A 153 10.381 -11.425 -25.949 1.00 0.00 H +ATOM 2154 HB2 GLU A 153 11.683 -12.549 -25.750 1.00 0.00 H +ATOM 2155 HG3 GLU A 153 13.192 -10.658 -25.005 1.00 0.00 H +ATOM 2156 HG2 GLU A 153 11.887 -9.523 -25.276 1.00 0.00 H +ATOM 2157 N PHE A 154 10.952 -10.426 -21.887 1.00 52.70 N +ATOM 2158 CA PHE A 154 10.478 -9.374 -20.988 1.00 49.80 C +ATOM 2159 C PHE A 154 11.630 -8.596 -20.345 1.00 49.14 C +ATOM 2160 O PHE A 154 12.752 -9.091 -20.238 1.00 48.93 O +ATOM 2161 CB PHE A 154 9.520 -9.980 -19.930 1.00 48.80 C +ATOM 2162 CG PHE A 154 10.162 -10.800 -18.824 1.00 49.66 C +ATOM 2163 CD1 PHE A 154 10.363 -10.247 -17.542 1.00 48.25 C +ATOM 2164 CD2 PHE A 154 10.672 -12.084 -19.103 1.00 48.95 C +ATOM 2165 CE1 PHE A 154 11.002 -10.992 -16.561 1.00 49.33 C +ATOM 2166 CE2 PHE A 154 11.319 -12.809 -18.115 1.00 50.09 C +ATOM 2167 CZ PHE A 154 11.474 -12.267 -16.847 1.00 50.47 C +ATOM 2168 H PHE A 154 11.623 -11.078 -21.505 1.00 0.00 H +ATOM 2169 HA PHE A 154 9.923 -8.652 -21.580 1.00 0.00 H +ATOM 2170 HB3 PHE A 154 8.774 -10.596 -20.425 1.00 0.00 H +ATOM 2171 HB2 PHE A 154 8.951 -9.178 -19.458 1.00 0.00 H +ATOM 2172 HD1 PHE A 154 10.009 -9.251 -17.318 1.00 0.00 H +ATOM 2173 HD2 PHE A 154 10.552 -12.509 -20.084 1.00 0.00 H +ATOM 2174 HE1 PHE A 154 11.131 -10.579 -15.571 1.00 0.00 H +ATOM 2175 HE2 PHE A 154 11.694 -13.799 -18.331 1.00 0.00 H +ATOM 2176 HZ PHE A 154 11.966 -12.845 -16.082 1.00 0.00 H +ATOM 2177 N SER A 155 11.275 -7.385 -19.899 1.00 45.90 N +ATOM 2178 CA SER A 155 12.102 -6.466 -19.134 1.00 45.47 C +ATOM 2179 C SER A 155 11.242 -5.904 -17.995 1.00 43.55 C +ATOM 2180 O SER A 155 10.052 -5.658 -18.195 1.00 43.15 O +ATOM 2181 CB SER A 155 12.624 -5.363 -20.077 1.00 43.93 C +ATOM 2182 OG SER A 155 13.451 -4.436 -19.402 1.00 46.92 O +ATOM 2183 H SER A 155 10.318 -7.081 -20.036 1.00 0.00 H +ATOM 2184 HA SER A 155 12.949 -7.001 -18.698 1.00 0.00 H +ATOM 2185 HB3 SER A 155 11.794 -4.821 -20.534 1.00 0.00 H +ATOM 2186 HB2 SER A 155 13.199 -5.805 -20.892 1.00 0.00 H +ATOM 2187 HG SER A 155 13.794 -3.810 -20.044 1.00 0.00 H +ATOM 2188 N VAL A 156 11.867 -5.710 -16.827 1.00 42.99 N +ATOM 2189 CA VAL A 156 11.222 -5.182 -15.629 1.00 40.85 C +ATOM 2190 C VAL A 156 11.941 -3.884 -15.238 1.00 40.89 C +ATOM 2191 O VAL A 156 13.167 -3.875 -15.182 1.00 42.32 O +ATOM 2192 CB VAL A 156 11.336 -6.186 -14.446 1.00 40.60 C +ATOM 2193 CG1 VAL A 156 10.739 -5.665 -13.123 1.00 41.68 C +ATOM 2194 CG2 VAL A 156 10.690 -7.538 -14.791 1.00 41.72 C +ATOM 2195 H VAL A 156 12.854 -5.910 -16.745 1.00 0.00 H +ATOM 2196 HA VAL A 156 10.167 -4.972 -15.806 1.00 0.00 H +ATOM 2197 HB VAL A 156 12.392 -6.384 -14.267 1.00 0.00 H +ATOM 2198 HG11 VAL A 156 10.787 -6.426 -12.344 1.00 0.00 H +ATOM 2199 HG12 VAL A 156 11.264 -4.790 -12.740 1.00 0.00 H +ATOM 2200 HG13 VAL A 156 9.692 -5.398 -13.262 1.00 0.00 H +ATOM 2201 HG21 VAL A 156 10.755 -8.230 -13.951 1.00 0.00 H +ATOM 2202 HG22 VAL A 156 9.638 -7.420 -15.049 1.00 0.00 H +ATOM 2203 HG23 VAL A 156 11.192 -8.015 -15.632 1.00 0.00 H +ATOM 2204 N LYS A 157 11.164 -2.831 -14.953 1.00 39.19 N +ATOM 2205 CA LYS A 157 11.638 -1.571 -14.384 1.00 37.21 C +ATOM 2206 C LYS A 157 10.915 -1.329 -13.059 1.00 35.33 C +ATOM 2207 O LYS A 157 9.739 -1.671 -12.951 1.00 33.52 O +ATOM 2208 CB LYS A 157 11.326 -0.406 -15.339 1.00 38.54 C +ATOM 2209 CG LYS A 157 12.121 -0.434 -16.654 1.00 42.32 C +ATOM 2210 CD LYS A 157 11.918 0.828 -17.510 1.00 44.23 C +ATOM 2211 CE LYS A 157 10.446 1.111 -17.855 1.00 46.31 C +ATOM 2212 NZ LYS A 157 10.312 2.286 -18.731 1.00 48.40 N1+ +ATOM 2213 H LYS A 157 10.158 -2.923 -15.033 1.00 0.00 H +ATOM 2214 HA LYS A 157 12.710 -1.610 -14.203 1.00 0.00 H +ATOM 2215 HB3 LYS A 157 11.557 0.532 -14.832 1.00 0.00 H +ATOM 2216 HB2 LYS A 157 10.255 -0.390 -15.541 1.00 0.00 H +ATOM 2217 HG3 LYS A 157 11.838 -1.314 -17.234 1.00 0.00 H +ATOM 2218 HG2 LYS A 157 13.183 -0.546 -16.432 1.00 0.00 H +ATOM 2219 HD3 LYS A 157 12.488 0.715 -18.433 1.00 0.00 H +ATOM 2220 HD2 LYS A 157 12.350 1.688 -16.998 1.00 0.00 H +ATOM 2221 HE3 LYS A 157 9.863 1.309 -16.956 1.00 0.00 H +ATOM 2222 HE2 LYS A 157 10.008 0.243 -18.342 1.00 0.00 H +ATOM 2223 HZ1 LYS A 157 10.647 3.099 -18.219 1.00 0.00 H +ATOM 2224 HZ2 LYS A 157 10.859 2.165 -19.570 1.00 0.00 H +ATOM 2225 HZ3 LYS A 157 9.343 2.437 -18.966 1.00 0.00 H +ATOM 2226 N VAL A 158 11.612 -0.700 -12.102 1.00 34.70 N +ATOM 2227 CA VAL A 158 11.046 -0.290 -10.819 1.00 32.77 C +ATOM 2228 C VAL A 158 11.432 1.157 -10.483 1.00 33.04 C +ATOM 2229 O VAL A 158 12.534 1.595 -10.808 1.00 33.91 O +ATOM 2230 CB VAL A 158 11.495 -1.207 -9.647 1.00 32.67 C +ATOM 2231 CG1 VAL A 158 10.903 -2.619 -9.768 1.00 31.61 C +ATOM 2232 CG2 VAL A 158 13.016 -1.277 -9.414 1.00 33.84 C +ATOM 2233 H VAL A 158 12.582 -0.458 -12.258 1.00 0.00 H +ATOM 2234 HA VAL A 158 9.962 -0.322 -10.890 1.00 0.00 H +ATOM 2235 HB VAL A 158 11.067 -0.791 -8.732 1.00 0.00 H +ATOM 2236 HG11 VAL A 158 11.155 -3.224 -8.897 1.00 0.00 H +ATOM 2237 HG12 VAL A 158 9.816 -2.578 -9.833 1.00 0.00 H +ATOM 2238 HG13 VAL A 158 11.272 -3.138 -10.652 1.00 0.00 H +ATOM 2239 HG21 VAL A 158 13.236 -1.952 -8.588 1.00 0.00 H +ATOM 2240 HG22 VAL A 158 13.539 -1.654 -10.291 1.00 0.00 H +ATOM 2241 HG23 VAL A 158 13.445 -0.309 -9.160 1.00 0.00 H +ATOM 2242 N SER A 159 10.511 1.855 -9.805 1.00 31.10 N +ATOM 2243 CA SER A 159 10.703 3.206 -9.288 1.00 29.81 C +ATOM 2244 C SER A 159 10.008 3.332 -7.927 1.00 27.90 C +ATOM 2245 O SER A 159 8.988 2.682 -7.699 1.00 26.67 O +ATOM 2246 CB SER A 159 10.225 4.247 -10.327 1.00 29.49 C +ATOM 2247 OG SER A 159 8.821 4.280 -10.478 1.00 33.07 O +ATOM 2248 H SER A 159 9.629 1.420 -9.567 1.00 0.00 H +ATOM 2249 HA SER A 159 11.771 3.361 -9.123 1.00 0.00 H +ATOM 2250 HB3 SER A 159 10.682 4.062 -11.299 1.00 0.00 H +ATOM 2251 HB2 SER A 159 10.544 5.243 -10.021 1.00 0.00 H +ATOM 2252 HG SER A 159 8.434 4.702 -9.703 1.00 0.00 H +ATOM 2253 N LEU A 160 10.578 4.179 -7.061 1.00 28.07 N +ATOM 2254 CA LEU A 160 10.077 4.469 -5.724 1.00 24.85 C +ATOM 2255 C LEU A 160 9.981 5.988 -5.575 1.00 24.84 C +ATOM 2256 O LEU A 160 10.967 6.645 -5.238 1.00 25.97 O +ATOM 2257 CB LEU A 160 11.006 3.824 -4.678 1.00 25.10 C +ATOM 2258 CG LEU A 160 10.547 3.926 -3.209 1.00 24.01 C +ATOM 2259 CD1 LEU A 160 9.161 3.301 -2.964 1.00 23.66 C +ATOM 2260 CD2 LEU A 160 11.622 3.325 -2.286 1.00 27.15 C +ATOM 2261 H LEU A 160 11.406 4.694 -7.341 1.00 0.00 H +ATOM 2262 HA LEU A 160 9.077 4.055 -5.607 1.00 0.00 H +ATOM 2263 HB3 LEU A 160 11.985 4.293 -4.765 1.00 0.00 H +ATOM 2264 HB2 LEU A 160 11.139 2.769 -4.920 1.00 0.00 H +ATOM 2265 HG LEU A 160 10.467 4.982 -2.958 1.00 0.00 H +ATOM 2266 HD11 LEU A 160 9.143 2.658 -2.086 1.00 0.00 H +ATOM 2267 HD12 LEU A 160 8.410 4.077 -2.814 1.00 0.00 H +ATOM 2268 HD13 LEU A 160 8.838 2.696 -3.806 1.00 0.00 H +ATOM 2269 HD21 LEU A 160 11.661 3.844 -1.329 1.00 0.00 H +ATOM 2270 HD22 LEU A 160 11.423 2.278 -2.084 1.00 0.00 H +ATOM 2271 HD23 LEU A 160 12.619 3.374 -2.724 1.00 0.00 H +ATOM 2272 N LEU A 161 8.774 6.502 -5.838 1.00 23.65 N +ATOM 2273 CA LEU A 161 8.406 7.889 -5.598 1.00 23.59 C +ATOM 2274 C LEU A 161 7.794 7.987 -4.202 1.00 21.28 C +ATOM 2275 O LEU A 161 6.910 7.192 -3.887 1.00 20.76 O +ATOM 2276 CB LEU A 161 7.388 8.324 -6.668 1.00 25.98 C +ATOM 2277 CG LEU A 161 6.895 9.782 -6.534 1.00 27.94 C +ATOM 2278 CD1 LEU A 161 8.043 10.798 -6.708 1.00 26.95 C +ATOM 2279 CD2 LEU A 161 5.715 10.038 -7.485 1.00 28.87 C +ATOM 2280 H LEU A 161 8.019 5.883 -6.102 1.00 0.00 H +ATOM 2281 HA LEU A 161 9.291 8.522 -5.665 1.00 0.00 H +ATOM 2282 HB3 LEU A 161 6.526 7.654 -6.628 1.00 0.00 H +ATOM 2283 HB2 LEU A 161 7.824 8.182 -7.654 1.00 0.00 H +ATOM 2284 HG LEU A 161 6.490 9.932 -5.533 1.00 0.00 H +ATOM 2285 HD11 LEU A 161 7.790 11.614 -7.384 1.00 0.00 H +ATOM 2286 HD12 LEU A 161 8.305 11.246 -5.749 1.00 0.00 H +ATOM 2287 HD13 LEU A 161 8.946 10.333 -7.103 1.00 0.00 H +ATOM 2288 HD21 LEU A 161 5.831 10.954 -8.062 1.00 0.00 H +ATOM 2289 HD22 LEU A 161 5.572 9.221 -8.193 1.00 0.00 H +ATOM 2290 HD23 LEU A 161 4.790 10.127 -6.916 1.00 0.00 H +ATOM 2291 N GLU A 162 8.243 8.973 -3.413 1.00 21.39 N +ATOM 2292 CA GLU A 162 7.725 9.215 -2.070 1.00 22.91 C +ATOM 2293 C GLU A 162 7.387 10.689 -1.876 1.00 21.99 C +ATOM 2294 O GLU A 162 8.063 11.551 -2.430 1.00 22.20 O +ATOM 2295 CB GLU A 162 8.702 8.699 -1.000 1.00 20.42 C +ATOM 2296 CG GLU A 162 9.119 7.242 -1.266 1.00 26.15 C +ATOM 2297 CD GLU A 162 9.669 6.495 -0.065 1.00 25.20 C +ATOM 2298 OE1 GLU A 162 9.715 5.256 -0.185 1.00 25.08 O +ATOM 2299 OE2 GLU A 162 10.040 7.134 0.942 1.00 25.71 O1- +ATOM 2300 H GLU A 162 8.979 9.590 -3.734 1.00 0.00 H +ATOM 2301 HA GLU A 162 6.788 8.674 -1.960 1.00 0.00 H +ATOM 2302 HB3 GLU A 162 8.230 8.785 -0.020 1.00 0.00 H +ATOM 2303 HB2 GLU A 162 9.589 9.332 -0.973 1.00 0.00 H +ATOM 2304 HG3 GLU A 162 9.867 7.208 -2.059 1.00 0.00 H +ATOM 2305 HG2 GLU A 162 8.266 6.672 -1.628 1.00 0.00 H +ATOM 2306 N ILE A 163 6.322 10.933 -1.103 1.00 19.55 N +ATOM 2307 CA ILE A 163 5.726 12.244 -0.901 1.00 20.11 C +ATOM 2308 C ILE A 163 5.777 12.547 0.603 1.00 19.59 C +ATOM 2309 O ILE A 163 5.152 11.827 1.378 1.00 19.30 O +ATOM 2310 CB ILE A 163 4.236 12.292 -1.360 1.00 21.56 C +ATOM 2311 CG1 ILE A 163 4.045 11.622 -2.743 1.00 20.64 C +ATOM 2312 CG2 ILE A 163 3.703 13.744 -1.358 1.00 20.03 C +ATOM 2313 CD1 ILE A 163 2.614 11.662 -3.287 1.00 22.06 C +ATOM 2314 H ILE A 163 5.850 10.156 -0.655 1.00 0.00 H +ATOM 2315 HA ILE A 163 6.275 13.002 -1.455 1.00 0.00 H +ATOM 2316 HB ILE A 163 3.623 11.729 -0.656 1.00 0.00 H +ATOM 2317 HG13 ILE A 163 4.341 10.574 -2.695 1.00 0.00 H +ATOM 2318 HG12 ILE A 163 4.717 12.082 -3.462 1.00 0.00 H +ATOM 2319 HG21 ILE A 163 2.639 13.785 -1.590 1.00 0.00 H +ATOM 2320 HG22 ILE A 163 3.824 14.224 -0.387 1.00 0.00 H +ATOM 2321 HG23 ILE A 163 4.227 14.359 -2.090 1.00 0.00 H +ATOM 2322 HD11 ILE A 163 2.433 10.831 -3.968 1.00 0.00 H +ATOM 2323 HD12 ILE A 163 1.886 11.595 -2.480 1.00 0.00 H +ATOM 2324 HD13 ILE A 163 2.429 12.584 -3.836 1.00 0.00 H +ATOM 2325 N TYR A 164 6.502 13.608 0.978 1.00 19.64 N +ATOM 2326 CA TYR A 164 6.545 14.133 2.340 1.00 22.59 C +ATOM 2327 C TYR A 164 6.377 15.654 2.265 1.00 21.43 C +ATOM 2328 O TYR A 164 7.172 16.317 1.599 1.00 23.00 O +ATOM 2329 CB TYR A 164 7.838 13.679 3.056 1.00 18.51 C +ATOM 2330 CG TYR A 164 8.055 14.262 4.445 1.00 20.90 C +ATOM 2331 CD1 TYR A 164 8.615 15.549 4.595 1.00 20.72 C +ATOM 2332 CD2 TYR A 164 7.690 13.524 5.591 1.00 20.94 C +ATOM 2333 CE1 TYR A 164 8.775 16.111 5.874 1.00 23.50 C +ATOM 2334 CE2 TYR A 164 7.871 14.080 6.873 1.00 24.08 C +ATOM 2335 CZ TYR A 164 8.396 15.379 7.013 1.00 23.90 C +ATOM 2336 OH TYR A 164 8.553 15.928 8.250 1.00 25.55 O +ATOM 2337 H TYR A 164 6.996 14.150 0.278 1.00 0.00 H +ATOM 2338 HA TYR A 164 5.705 13.735 2.911 1.00 0.00 H +ATOM 2339 HB3 TYR A 164 8.711 13.926 2.457 1.00 0.00 H +ATOM 2340 HB2 TYR A 164 7.839 12.591 3.131 1.00 0.00 H +ATOM 2341 HD1 TYR A 164 8.912 16.118 3.726 1.00 0.00 H +ATOM 2342 HD2 TYR A 164 7.270 12.534 5.492 1.00 0.00 H +ATOM 2343 HE1 TYR A 164 9.189 17.103 5.978 1.00 0.00 H +ATOM 2344 HE2 TYR A 164 7.601 13.511 7.750 1.00 0.00 H +ATOM 2345 HH TYR A 164 8.427 15.287 8.957 1.00 0.00 H +ATOM 2346 N ASN A 165 5.342 16.165 2.953 1.00 22.76 N +ATOM 2347 CA ASN A 165 4.939 17.578 3.038 1.00 27.93 C +ATOM 2348 C ASN A 165 4.660 18.197 1.648 1.00 25.77 C +ATOM 2349 O ASN A 165 5.048 19.338 1.398 1.00 25.97 O +ATOM 2350 CB ASN A 165 5.955 18.402 3.882 1.00 30.06 C +ATOM 2351 CG ASN A 165 5.978 18.071 5.382 1.00 37.45 C +ATOM 2352 ND2 ASN A 165 6.492 18.999 6.191 1.00 39.66 N +ATOM 2353 OD1 ASN A 165 5.554 17.002 5.817 1.00 40.14 O +ATOM 2354 H ASN A 165 4.754 15.522 3.470 1.00 0.00 H +ATOM 2355 HA ASN A 165 3.998 17.545 3.582 1.00 0.00 H +ATOM 2356 HB3 ASN A 165 5.703 19.462 3.819 1.00 0.00 H +ATOM 2357 HB2 ASN A 165 6.965 18.309 3.480 1.00 0.00 H +ATOM 2358 HD22 ASN A 165 6.542 18.834 7.187 1.00 0.00 H +ATOM 2359 HD21 ASN A 165 6.842 19.868 5.816 1.00 0.00 H +ATOM 2360 N GLU A 166 4.013 17.417 0.761 1.00 25.78 N +ATOM 2361 CA GLU A 166 3.733 17.728 -0.650 1.00 27.67 C +ATOM 2362 C GLU A 166 4.984 17.904 -1.535 1.00 27.00 C +ATOM 2363 O GLU A 166 4.879 18.502 -2.607 1.00 28.61 O +ATOM 2364 CB GLU A 166 2.736 18.911 -0.803 1.00 29.56 C +ATOM 2365 CG GLU A 166 1.345 18.676 -0.195 1.00 29.68 C +ATOM 2366 CD GLU A 166 0.633 17.481 -0.825 1.00 30.08 C +ATOM 2367 OE1 GLU A 166 0.691 16.405 -0.195 1.00 27.75 O +ATOM 2368 OE2 GLU A 166 0.048 17.656 -1.915 1.00 28.15 O1- +ATOM 2369 H GLU A 166 3.710 16.500 1.062 1.00 0.00 H +ATOM 2370 HA GLU A 166 3.268 16.830 -1.054 1.00 0.00 H +ATOM 2371 HB3 GLU A 166 2.591 19.146 -1.859 1.00 0.00 H +ATOM 2372 HB2 GLU A 166 3.160 19.816 -0.368 1.00 0.00 H +ATOM 2373 HG3 GLU A 166 0.726 19.563 -0.336 1.00 0.00 H +ATOM 2374 HG2 GLU A 166 1.424 18.526 0.881 1.00 0.00 H +ATOM 2375 N GLU A 167 6.131 17.356 -1.101 1.00 26.94 N +ATOM 2376 CA GLU A 167 7.365 17.340 -1.878 1.00 27.18 C +ATOM 2377 C GLU A 167 7.672 15.902 -2.302 1.00 28.13 C +ATOM 2378 O GLU A 167 7.645 15.001 -1.467 1.00 24.51 O +ATOM 2379 CB GLU A 167 8.537 17.935 -1.081 1.00 31.62 C +ATOM 2380 CG GLU A 167 8.239 19.313 -0.456 1.00 40.49 C +ATOM 2381 CD GLU A 167 9.487 20.075 -0.005 1.00 46.73 C +ATOM 2382 OE1 GLU A 167 10.605 19.679 -0.403 1.00 51.21 O +ATOM 2383 OE2 GLU A 167 9.299 21.095 0.691 1.00 50.72 O1- +ATOM 2384 H GLU A 167 6.165 16.889 -0.205 1.00 0.00 H +ATOM 2385 HA GLU A 167 7.247 17.951 -2.772 1.00 0.00 H +ATOM 2386 HB3 GLU A 167 9.395 17.991 -1.754 1.00 0.00 H +ATOM 2387 HB2 GLU A 167 8.827 17.255 -0.282 1.00 0.00 H +ATOM 2388 HG3 GLU A 167 7.593 19.182 0.413 1.00 0.00 H +ATOM 2389 HG2 GLU A 167 7.683 19.940 -1.150 1.00 0.00 H +ATOM 2390 N LEU A 168 7.972 15.739 -3.596 1.00 25.62 N +ATOM 2391 CA LEU A 168 8.301 14.474 -4.240 1.00 26.26 C +ATOM 2392 C LEU A 168 9.796 14.172 -4.096 1.00 27.12 C +ATOM 2393 O LEU A 168 10.611 15.074 -4.277 1.00 27.76 O +ATOM 2394 CB LEU A 168 7.938 14.576 -5.734 1.00 26.24 C +ATOM 2395 CG LEU A 168 6.448 14.830 -6.033 1.00 27.75 C +ATOM 2396 CD1 LEU A 168 6.219 14.937 -7.550 1.00 26.99 C +ATOM 2397 CD2 LEU A 168 5.523 13.786 -5.386 1.00 24.52 C +ATOM 2398 H LEU A 168 7.988 16.552 -4.198 1.00 0.00 H +ATOM 2399 HA LEU A 168 7.723 13.675 -3.777 1.00 0.00 H +ATOM 2400 HB3 LEU A 168 8.248 13.662 -6.240 1.00 0.00 H +ATOM 2401 HB2 LEU A 168 8.519 15.383 -6.182 1.00 0.00 H +ATOM 2402 HG LEU A 168 6.182 15.800 -5.611 1.00 0.00 H +ATOM 2403 HD11 LEU A 168 5.685 15.855 -7.784 1.00 0.00 H +ATOM 2404 HD12 LEU A 168 7.156 14.958 -8.110 1.00 0.00 H +ATOM 2405 HD13 LEU A 168 5.634 14.107 -7.946 1.00 0.00 H +ATOM 2406 HD21 LEU A 168 4.653 13.563 -6.001 1.00 0.00 H +ATOM 2407 HD22 LEU A 168 6.043 12.845 -5.205 1.00 0.00 H +ATOM 2408 HD23 LEU A 168 5.148 14.155 -4.431 1.00 0.00 H +ATOM 2409 N PHE A 169 10.120 12.906 -3.802 1.00 27.59 N +ATOM 2410 CA PHE A 169 11.478 12.414 -3.588 1.00 28.06 C +ATOM 2411 C PHE A 169 11.649 11.065 -4.291 1.00 27.91 C +ATOM 2412 O PHE A 169 10.709 10.272 -4.342 1.00 26.56 O +ATOM 2413 CB PHE A 169 11.747 12.265 -2.076 1.00 27.08 C +ATOM 2414 CG PHE A 169 11.614 13.550 -1.279 1.00 29.27 C +ATOM 2415 CD1 PHE A 169 10.520 13.751 -0.412 1.00 26.75 C +ATOM 2416 CD2 PHE A 169 12.518 14.609 -1.496 1.00 29.59 C +ATOM 2417 CE1 PHE A 169 10.389 14.962 0.256 1.00 29.38 C +ATOM 2418 CE2 PHE A 169 12.386 15.798 -0.797 1.00 29.78 C +ATOM 2419 CZ PHE A 169 11.327 15.971 0.082 1.00 29.34 C +ATOM 2420 H PHE A 169 9.383 12.231 -3.643 1.00 0.00 H +ATOM 2421 HA PHE A 169 12.201 13.111 -4.017 1.00 0.00 H +ATOM 2422 HB3 PHE A 169 12.766 11.904 -1.932 1.00 0.00 H +ATOM 2423 HB2 PHE A 169 11.092 11.506 -1.643 1.00 0.00 H +ATOM 2424 HD1 PHE A 169 9.778 12.977 -0.274 1.00 0.00 H +ATOM 2425 HD2 PHE A 169 13.304 14.504 -2.227 1.00 0.00 H +ATOM 2426 HE1 PHE A 169 9.548 15.136 0.906 1.00 0.00 H +ATOM 2427 HE2 PHE A 169 13.093 16.599 -0.958 1.00 0.00 H +ATOM 2428 HZ PHE A 169 11.215 16.907 0.609 1.00 0.00 H +ATOM 2429 N ASP A 170 12.870 10.829 -4.788 1.00 28.99 N +ATOM 2430 CA ASP A 170 13.290 9.603 -5.451 1.00 31.65 C +ATOM 2431 C ASP A 170 14.149 8.819 -4.449 1.00 31.23 C +ATOM 2432 O ASP A 170 15.233 9.275 -4.081 1.00 33.73 O +ATOM 2433 CB ASP A 170 14.067 9.943 -6.740 1.00 32.63 C +ATOM 2434 CG ASP A 170 14.333 8.754 -7.661 1.00 36.16 C +ATOM 2435 OD1 ASP A 170 14.438 7.609 -7.167 1.00 37.04 O +ATOM 2436 OD2 ASP A 170 14.529 9.032 -8.860 1.00 37.99 O1- +ATOM 2437 H ASP A 170 13.599 11.522 -4.665 1.00 0.00 H +ATOM 2438 HA ASP A 170 12.417 9.006 -5.726 1.00 0.00 H +ATOM 2439 HB3 ASP A 170 15.019 10.421 -6.505 1.00 0.00 H +ATOM 2440 HB2 ASP A 170 13.482 10.668 -7.305 1.00 0.00 H +ATOM 2441 N LEU A 171 13.638 7.653 -4.034 1.00 32.05 N +ATOM 2442 CA LEU A 171 14.262 6.802 -3.022 1.00 33.78 C +ATOM 2443 C LEU A 171 15.010 5.596 -3.612 1.00 36.20 C +ATOM 2444 O LEU A 171 15.550 4.831 -2.817 1.00 37.78 O +ATOM 2445 CB LEU A 171 13.200 6.389 -1.977 1.00 31.15 C +ATOM 2446 CG LEU A 171 13.049 7.382 -0.809 1.00 31.77 C +ATOM 2447 CD1 LEU A 171 14.277 7.418 0.101 1.00 29.95 C +ATOM 2448 CD2 LEU A 171 12.582 8.784 -1.239 1.00 27.08 C +ATOM 2449 H LEU A 171 12.746 7.340 -4.396 1.00 0.00 H +ATOM 2450 HA LEU A 171 15.039 7.363 -2.500 1.00 0.00 H +ATOM 2451 HB3 LEU A 171 13.444 5.421 -1.539 1.00 0.00 H +ATOM 2452 HB2 LEU A 171 12.237 6.249 -2.467 1.00 0.00 H +ATOM 2453 HG LEU A 171 12.271 6.959 -0.187 1.00 0.00 H +ATOM 2454 HD11 LEU A 171 13.990 7.616 1.133 1.00 0.00 H +ATOM 2455 HD12 LEU A 171 14.817 6.472 0.080 1.00 0.00 H +ATOM 2456 HD13 LEU A 171 14.965 8.199 -0.202 1.00 0.00 H +ATOM 2457 HD21 LEU A 171 11.951 9.231 -0.476 1.00 0.00 H +ATOM 2458 HD22 LEU A 171 13.421 9.460 -1.405 1.00 0.00 H +ATOM 2459 HD23 LEU A 171 11.995 8.752 -2.157 1.00 0.00 H +ATOM 2460 N LEU A 172 15.105 5.464 -4.948 1.00 38.78 N +ATOM 2461 CA LEU A 172 15.938 4.437 -5.586 1.00 42.77 C +ATOM 2462 C LEU A 172 17.167 5.008 -6.305 1.00 44.63 C +ATOM 2463 O LEU A 172 18.114 4.240 -6.457 1.00 46.83 O +ATOM 2464 CB LEU A 172 15.105 3.556 -6.545 1.00 39.05 C +ATOM 2465 CG LEU A 172 14.253 2.469 -5.856 1.00 37.98 C +ATOM 2466 CD1 LEU A 172 13.389 1.710 -6.887 1.00 35.12 C +ATOM 2467 CD2 LEU A 172 15.086 1.504 -4.992 1.00 35.36 C +ATOM 2468 H LEU A 172 14.654 6.133 -5.561 1.00 0.00 H +ATOM 2469 HA LEU A 172 16.368 3.782 -4.827 1.00 0.00 H +ATOM 2470 HB3 LEU A 172 15.764 3.044 -7.243 1.00 0.00 H +ATOM 2471 HB2 LEU A 172 14.475 4.192 -7.162 1.00 0.00 H +ATOM 2472 HG LEU A 172 13.578 2.972 -5.173 1.00 0.00 H +ATOM 2473 HD11 LEU A 172 12.333 1.751 -6.625 1.00 0.00 H +ATOM 2474 HD12 LEU A 172 13.487 2.128 -7.890 1.00 0.00 H +ATOM 2475 HD13 LEU A 172 13.658 0.657 -6.962 1.00 0.00 H +ATOM 2476 HD21 LEU A 172 14.698 0.486 -5.011 1.00 0.00 H +ATOM 2477 HD22 LEU A 172 16.128 1.463 -5.312 1.00 0.00 H +ATOM 2478 HD23 LEU A 172 15.074 1.819 -3.950 1.00 0.00 H +ATOM 2479 N ASN A 173 17.168 6.294 -6.717 1.00 48.64 N +ATOM 2480 CA ASN A 173 18.277 6.942 -7.439 1.00 51.22 C +ATOM 2481 C ASN A 173 19.599 6.874 -6.637 1.00 53.10 C +ATOM 2482 O ASN A 173 19.700 7.559 -5.620 1.00 51.10 O +ATOM 2483 CB ASN A 173 17.886 8.412 -7.743 1.00 53.38 C +ATOM 2484 CG ASN A 173 18.876 9.190 -8.625 1.00 55.13 C +ATOM 2485 ND2 ASN A 173 18.569 10.457 -8.903 1.00 54.72 N +ATOM 2486 OD1 ASN A 173 19.884 8.657 -9.083 1.00 57.22 O +ATOM 2487 H ASN A 173 16.330 6.851 -6.599 1.00 0.00 H +ATOM 2488 HA ASN A 173 18.349 6.426 -8.396 1.00 0.00 H +ATOM 2489 HB3 ASN A 173 17.696 8.970 -6.824 1.00 0.00 H +ATOM 2490 HB2 ASN A 173 16.955 8.402 -8.300 1.00 0.00 H +ATOM 2491 HD22 ASN A 173 19.161 10.998 -9.514 1.00 0.00 H +ATOM 2492 HD21 ASN A 173 17.723 10.878 -8.539 1.00 0.00 H +ATOM 2493 N PRO A 174 20.586 6.069 -7.095 1.00 55.43 N +ATOM 2494 CA PRO A 174 21.875 5.956 -6.396 1.00 55.93 C +ATOM 2495 C PRO A 174 22.843 7.127 -6.674 1.00 56.43 C +ATOM 2496 O PRO A 174 23.872 7.206 -6.005 1.00 57.87 O +ATOM 2497 CB PRO A 174 22.423 4.624 -6.927 1.00 56.37 C +ATOM 2498 CG PRO A 174 21.948 4.584 -8.373 1.00 57.18 C +ATOM 2499 CD PRO A 174 20.574 5.248 -8.314 1.00 55.65 C +ATOM 2500 HA PRO A 174 21.732 5.883 -5.316 1.00 0.00 H +ATOM 2501 HB3 PRO A 174 21.975 3.800 -6.369 1.00 0.00 H +ATOM 2502 HB2 PRO A 174 23.506 4.526 -6.841 1.00 0.00 H +ATOM 2503 HG3 PRO A 174 21.923 3.578 -8.795 1.00 0.00 H +ATOM 2504 HG2 PRO A 174 22.616 5.186 -8.989 1.00 0.00 H +ATOM 2505 HD2 PRO A 174 20.393 5.842 -9.211 1.00 0.00 H +ATOM 2506 HD3 PRO A 174 19.801 4.484 -8.253 1.00 0.00 H +ATOM 2507 N SER A 175 22.516 7.990 -7.655 1.00 56.90 N +ATOM 2508 CA SER A 175 23.366 9.091 -8.108 1.00 57.82 C +ATOM 2509 C SER A 175 23.170 10.347 -7.247 1.00 58.21 C +ATOM 2510 O SER A 175 24.162 10.925 -6.805 1.00 59.23 O +ATOM 2511 CB SER A 175 23.074 9.410 -9.589 1.00 58.15 C +ATOM 2512 OG SER A 175 23.328 8.285 -10.405 1.00 58.20 O +ATOM 2513 H SER A 175 21.644 7.875 -8.153 1.00 0.00 H +ATOM 2514 HA SER A 175 24.413 8.788 -8.030 1.00 0.00 H +ATOM 2515 HB3 SER A 175 23.719 10.221 -9.931 1.00 0.00 H +ATOM 2516 HB2 SER A 175 22.050 9.745 -9.743 1.00 0.00 H +ATOM 2517 HG SER A 175 22.632 7.639 -10.261 1.00 0.00 H +ATOM 2518 N SER A 176 21.903 10.737 -7.028 1.00 58.11 N +ATOM 2519 CA SER A 176 21.530 11.919 -6.255 1.00 57.43 C +ATOM 2520 C SER A 176 20.981 11.502 -4.882 1.00 57.06 C +ATOM 2521 O SER A 176 20.365 10.443 -4.759 1.00 56.98 O +ATOM 2522 CB SER A 176 20.492 12.719 -7.063 1.00 58.25 C +ATOM 2523 OG SER A 176 20.210 13.951 -6.444 1.00 59.33 O +ATOM 2524 H SER A 176 21.140 10.190 -7.399 1.00 0.00 H +ATOM 2525 HA SER A 176 22.402 12.559 -6.100 1.00 0.00 H +ATOM 2526 HB3 SER A 176 19.558 12.165 -7.151 1.00 0.00 H +ATOM 2527 HB2 SER A 176 20.853 12.915 -8.073 1.00 0.00 H +ATOM 2528 HG SER A 176 20.882 14.596 -6.682 1.00 0.00 H +ATOM 2529 N ASP A 177 21.197 12.370 -3.883 1.00 56.57 N +ATOM 2530 CA ASP A 177 20.684 12.253 -2.513 1.00 57.04 C +ATOM 2531 C ASP A 177 19.162 12.482 -2.440 1.00 55.49 C +ATOM 2532 O ASP A 177 18.568 13.020 -3.376 1.00 54.80 O +ATOM 2533 CB ASP A 177 21.441 13.170 -1.512 1.00 59.67 C +ATOM 2534 CG ASP A 177 21.852 14.546 -2.054 1.00 62.71 C +ATOM 2535 OD1 ASP A 177 21.008 15.179 -2.726 1.00 63.65 O +ATOM 2536 OD2 ASP A 177 22.982 14.967 -1.728 1.00 64.94 O1- +ATOM 2537 H ASP A 177 21.673 13.238 -4.085 1.00 0.00 H +ATOM 2538 HA ASP A 177 20.860 11.222 -2.198 1.00 0.00 H +ATOM 2539 HB3 ASP A 177 22.353 12.646 -1.221 1.00 0.00 H +ATOM 2540 HB2 ASP A 177 20.880 13.321 -0.589 1.00 0.00 H +ATOM 2541 N VAL A 178 18.554 12.067 -1.315 1.00 53.79 N +ATOM 2542 CA VAL A 178 17.115 12.202 -1.065 1.00 52.83 C +ATOM 2543 C VAL A 178 16.608 13.651 -1.003 1.00 52.35 C +ATOM 2544 O VAL A 178 15.458 13.869 -1.368 1.00 53.10 O +ATOM 2545 CB VAL A 178 16.670 11.520 0.252 1.00 52.72 C +ATOM 2546 CG1 VAL A 178 16.934 10.020 0.212 1.00 52.31 C +ATOM 2547 CG2 VAL A 178 17.247 12.144 1.534 1.00 53.46 C +ATOM 2548 H VAL A 178 19.100 11.652 -0.573 1.00 0.00 H +ATOM 2549 HA VAL A 178 16.600 11.710 -1.892 1.00 0.00 H +ATOM 2550 HB VAL A 178 15.584 11.616 0.320 1.00 0.00 H +ATOM 2551 HG11 VAL A 178 16.423 9.529 1.036 1.00 0.00 H +ATOM 2552 HG12 VAL A 178 16.560 9.592 -0.718 1.00 0.00 H +ATOM 2553 HG13 VAL A 178 17.997 9.797 0.293 1.00 0.00 H +ATOM 2554 HG21 VAL A 178 17.023 11.528 2.401 1.00 0.00 H +ATOM 2555 HG22 VAL A 178 18.332 12.244 1.481 1.00 0.00 H +ATOM 2556 HG23 VAL A 178 16.820 13.126 1.727 1.00 0.00 H +ATOM 2557 N SER A 179 17.459 14.603 -0.581 1.00 51.84 N +ATOM 2558 CA SER A 179 17.145 16.033 -0.494 1.00 50.53 C +ATOM 2559 C SER A 179 16.828 16.706 -1.846 1.00 49.55 C +ATOM 2560 O SER A 179 16.228 17.781 -1.845 1.00 48.64 O +ATOM 2561 CB SER A 179 18.282 16.747 0.263 1.00 50.49 C +ATOM 2562 OG SER A 179 19.515 16.673 -0.425 1.00 49.66 O +ATOM 2563 H SER A 179 18.405 14.352 -0.331 1.00 0.00 H +ATOM 2564 HA SER A 179 16.242 16.122 0.114 1.00 0.00 H +ATOM 2565 HB3 SER A 179 18.408 16.313 1.255 1.00 0.00 H +ATOM 2566 HB2 SER A 179 18.034 17.798 0.415 1.00 0.00 H +ATOM 2567 HG SER A 179 19.441 17.130 -1.267 1.00 0.00 H +ATOM 2568 N GLU A 180 17.211 16.056 -2.958 1.00 49.36 N +ATOM 2569 CA GLU A 180 16.958 16.489 -4.325 1.00 49.04 C +ATOM 2570 C GLU A 180 15.492 16.208 -4.708 1.00 48.31 C +ATOM 2571 O GLU A 180 15.176 15.113 -5.175 1.00 48.45 O +ATOM 2572 CB GLU A 180 17.951 15.740 -5.239 1.00 51.29 C +ATOM 2573 CG GLU A 180 18.251 16.471 -6.559 1.00 55.71 C +ATOM 2574 CD GLU A 180 19.465 17.390 -6.416 1.00 58.55 C +ATOM 2575 OE1 GLU A 180 19.344 18.398 -5.687 1.00 58.48 O +ATOM 2576 OE2 GLU A 180 20.502 17.053 -7.029 1.00 58.81 O1- +ATOM 2577 H GLU A 180 17.709 15.181 -2.866 1.00 0.00 H +ATOM 2578 HA GLU A 180 17.151 17.562 -4.382 1.00 0.00 H +ATOM 2579 HB3 GLU A 180 17.597 14.733 -5.467 1.00 0.00 H +ATOM 2580 HB2 GLU A 180 18.884 15.570 -4.698 1.00 0.00 H +ATOM 2581 HG3 GLU A 180 17.393 17.057 -6.886 1.00 0.00 H +ATOM 2582 HG2 GLU A 180 18.446 15.746 -7.349 1.00 0.00 H +ATOM 2583 N ARG A 181 14.611 17.193 -4.480 1.00 46.01 N +ATOM 2584 CA ARG A 181 13.181 17.080 -4.769 1.00 46.71 C +ATOM 2585 C ARG A 181 12.894 17.039 -6.284 1.00 45.19 C +ATOM 2586 O ARG A 181 13.599 17.683 -7.063 1.00 45.10 O +ATOM 2587 CB ARG A 181 12.422 18.215 -4.049 1.00 48.88 C +ATOM 2588 CG ARG A 181 12.686 19.629 -4.603 1.00 53.95 C +ATOM 2589 CD ARG A 181 12.230 20.753 -3.663 1.00 58.90 C +ATOM 2590 NE ARG A 181 10.814 20.649 -3.277 1.00 62.40 N +ATOM 2591 CZ ARG A 181 9.747 20.795 -4.080 1.00 63.28 C +ATOM 2592 NH1 ARG A 181 9.877 21.022 -5.395 1.00 64.77 N +ATOM 2593 NH2 ARG A 181 8.522 20.724 -3.548 1.00 63.18 N1+ +ATOM 2594 H ARG A 181 14.928 18.061 -4.073 1.00 0.00 H +ATOM 2595 HA ARG A 181 12.855 16.136 -4.333 1.00 0.00 H +ATOM 2596 HB3 ARG A 181 12.680 18.187 -2.989 1.00 0.00 H +ATOM 2597 HB2 ARG A 181 11.351 18.011 -4.095 1.00 0.00 H +ATOM 2598 HG3 ARG A 181 12.321 19.771 -5.620 1.00 0.00 H +ATOM 2599 HG2 ARG A 181 13.769 19.734 -4.671 1.00 0.00 H +ATOM 2600 HD3 ARG A 181 12.311 21.706 -4.187 1.00 0.00 H +ATOM 2601 HD2 ARG A 181 12.890 20.826 -2.799 1.00 0.00 H +ATOM 2602 HE ARG A 181 10.660 20.430 -2.297 1.00 0.00 H +ATOM 2603 HH12 ARG A 181 9.065 21.140 -5.984 1.00 0.00 H +ATOM 2604 HH11 ARG A 181 10.799 21.093 -5.800 1.00 0.00 H +ATOM 2605 HH22 ARG A 181 7.699 20.840 -4.122 1.00 0.00 H +ATOM 2606 HH21 ARG A 181 8.412 20.578 -2.554 1.00 0.00 H +ATOM 2607 N LEU A 182 11.855 16.279 -6.659 1.00 41.92 N +ATOM 2608 CA LEU A 182 11.401 16.111 -8.040 1.00 39.89 C +ATOM 2609 C LEU A 182 10.280 17.112 -8.359 1.00 38.35 C +ATOM 2610 O LEU A 182 9.638 17.628 -7.447 1.00 38.67 O +ATOM 2611 CB LEU A 182 10.892 14.665 -8.247 1.00 40.08 C +ATOM 2612 CG LEU A 182 11.866 13.540 -7.830 1.00 39.80 C +ATOM 2613 CD1 LEU A 182 11.229 12.162 -8.097 1.00 39.86 C +ATOM 2614 CD2 LEU A 182 13.258 13.677 -8.480 1.00 39.90 C +ATOM 2615 H LEU A 182 11.325 15.786 -5.951 1.00 0.00 H +ATOM 2616 HA LEU A 182 12.226 16.298 -8.729 1.00 0.00 H +ATOM 2617 HB3 LEU A 182 10.632 14.530 -9.298 1.00 0.00 H +ATOM 2618 HB2 LEU A 182 9.962 14.527 -7.700 1.00 0.00 H +ATOM 2619 HG LEU A 182 12.009 13.605 -6.750 1.00 0.00 H +ATOM 2620 HD11 LEU A 182 11.217 11.555 -7.192 1.00 0.00 H +ATOM 2621 HD12 LEU A 182 10.197 12.244 -8.436 1.00 0.00 H +ATOM 2622 HD13 LEU A 182 11.763 11.598 -8.860 1.00 0.00 H +ATOM 2623 HD21 LEU A 182 13.679 12.714 -8.772 1.00 0.00 H +ATOM 2624 HD22 LEU A 182 13.236 14.299 -9.374 1.00 0.00 H +ATOM 2625 HD23 LEU A 182 13.961 14.128 -7.779 1.00 0.00 H +ATOM 2626 N GLN A 183 10.048 17.349 -9.656 1.00 36.55 N +ATOM 2627 CA GLN A 183 8.978 18.215 -10.154 1.00 36.23 C +ATOM 2628 C GLN A 183 7.962 17.352 -10.903 1.00 33.70 C +ATOM 2629 O GLN A 183 8.378 16.462 -11.644 1.00 32.46 O +ATOM 2630 CB GLN A 183 9.587 19.283 -11.085 1.00 40.21 C +ATOM 2631 CG GLN A 183 10.532 20.254 -10.349 1.00 46.32 C +ATOM 2632 CD GLN A 183 11.297 21.173 -11.303 1.00 51.85 C +ATOM 2633 NE2 GLN A 183 12.595 21.357 -11.056 1.00 54.16 N +ATOM 2634 OE1 GLN A 183 10.727 21.730 -12.238 1.00 53.00 O +ATOM 2635 H GLN A 183 10.588 16.863 -10.359 1.00 0.00 H +ATOM 2636 HA GLN A 183 8.464 18.725 -9.337 1.00 0.00 H +ATOM 2637 HB3 GLN A 183 8.786 19.856 -11.553 1.00 0.00 H +ATOM 2638 HB2 GLN A 183 10.126 18.793 -11.898 1.00 0.00 H +ATOM 2639 HG3 GLN A 183 11.257 19.698 -9.753 1.00 0.00 H +ATOM 2640 HG2 GLN A 183 9.965 20.867 -9.647 1.00 0.00 H +ATOM 2641 HE22 GLN A 183 13.137 21.979 -11.638 1.00 0.00 H +ATOM 2642 HE21 GLN A 183 13.039 20.898 -10.274 1.00 0.00 H +ATOM 2643 N MET A 184 6.662 17.648 -10.732 1.00 32.15 N +ATOM 2644 CA MET A 184 5.598 17.018 -11.512 1.00 35.07 C +ATOM 2645 C MET A 184 4.794 18.066 -12.281 1.00 35.72 C +ATOM 2646 O MET A 184 4.628 19.197 -11.822 1.00 34.61 O +ATOM 2647 CB MET A 184 4.701 16.110 -10.647 1.00 34.84 C +ATOM 2648 CG MET A 184 3.736 16.822 -9.679 1.00 38.74 C +ATOM 2649 SD MET A 184 2.603 15.702 -8.817 1.00 41.75 S +ATOM 2650 CE MET A 184 1.419 15.394 -10.143 1.00 40.67 C +ATOM 2651 H MET A 184 6.387 18.420 -10.142 1.00 0.00 H +ATOM 2652 HA MET A 184 6.060 16.380 -12.260 1.00 0.00 H +ATOM 2653 HB3 MET A 184 5.328 15.410 -10.098 1.00 0.00 H +ATOM 2654 HB2 MET A 184 4.117 15.482 -11.320 1.00 0.00 H +ATOM 2655 HG3 MET A 184 3.121 17.557 -10.197 1.00 0.00 H +ATOM 2656 HG2 MET A 184 4.308 17.373 -8.934 1.00 0.00 H +ATOM 2657 HE1 MET A 184 0.648 14.706 -9.802 1.00 0.00 H +ATOM 2658 HE2 MET A 184 0.947 16.320 -10.462 1.00 0.00 H +ATOM 2659 HE3 MET A 184 1.921 14.951 -11.000 1.00 0.00 H +ATOM 2660 N PHE A 185 4.306 17.621 -13.441 1.00 38.29 N +ATOM 2661 CA PHE A 185 3.525 18.388 -14.400 1.00 42.79 C +ATOM 2662 C PHE A 185 2.399 17.479 -14.895 1.00 44.70 C +ATOM 2663 O PHE A 185 2.547 16.258 -14.886 1.00 44.77 O +ATOM 2664 CB PHE A 185 4.426 18.777 -15.595 1.00 43.13 C +ATOM 2665 CG PHE A 185 5.717 19.489 -15.232 1.00 43.75 C +ATOM 2666 CD1 PHE A 185 6.890 18.742 -14.983 1.00 43.96 C +ATOM 2667 CD2 PHE A 185 5.715 20.872 -14.958 1.00 44.55 C +ATOM 2668 CE1 PHE A 185 8.038 19.378 -14.536 1.00 44.32 C +ATOM 2669 CE2 PHE A 185 6.877 21.492 -14.518 1.00 45.42 C +ATOM 2670 CZ PHE A 185 8.033 20.749 -14.315 1.00 45.48 C +ATOM 2671 H PHE A 185 4.490 16.662 -13.711 1.00 0.00 H +ATOM 2672 HA PHE A 185 3.101 19.277 -13.930 1.00 0.00 H +ATOM 2673 HB3 PHE A 185 3.864 19.427 -16.267 1.00 0.00 H +ATOM 2674 HB2 PHE A 185 4.681 17.892 -16.182 1.00 0.00 H +ATOM 2675 HD1 PHE A 185 6.894 17.671 -15.130 1.00 0.00 H +ATOM 2676 HD2 PHE A 185 4.812 21.451 -15.090 1.00 0.00 H +ATOM 2677 HE1 PHE A 185 8.936 18.807 -14.350 1.00 0.00 H +ATOM 2678 HE2 PHE A 185 6.878 22.555 -14.324 1.00 0.00 H +ATOM 2679 HZ PHE A 185 8.928 21.241 -13.971 1.00 0.00 H +ATOM 2680 N ASP A 186 1.318 18.087 -15.397 1.00 49.80 N +ATOM 2681 CA ASP A 186 0.300 17.381 -16.179 1.00 53.56 C +ATOM 2682 C ASP A 186 0.897 16.964 -17.530 1.00 53.93 C +ATOM 2683 O ASP A 186 1.499 17.795 -18.212 1.00 53.64 O +ATOM 2684 CB ASP A 186 -0.990 18.201 -16.392 1.00 56.42 C +ATOM 2685 CG ASP A 186 -1.580 18.801 -15.114 1.00 58.79 C +ATOM 2686 OD1 ASP A 186 -2.294 19.815 -15.252 1.00 61.00 O +ATOM 2687 OD2 ASP A 186 -1.411 18.199 -14.029 1.00 60.88 O1- +ATOM 2688 H ASP A 186 1.255 19.097 -15.380 1.00 0.00 H +ATOM 2689 HA ASP A 186 0.023 16.477 -15.630 1.00 0.00 H +ATOM 2690 HB3 ASP A 186 -1.752 17.581 -16.866 1.00 0.00 H +ATOM 2691 HB2 ASP A 186 -0.770 19.024 -17.074 1.00 0.00 H +ATOM 2692 N ASP A 187 0.744 15.679 -17.871 1.00 55.24 N +ATOM 2693 CA ASP A 187 1.262 15.096 -19.106 1.00 58.13 C +ATOM 2694 C ASP A 187 0.315 15.511 -20.266 1.00 59.52 C +ATOM 2695 O ASP A 187 -0.897 15.360 -20.104 1.00 59.93 O +ATOM 2696 CB ASP A 187 1.433 13.573 -18.890 1.00 58.39 C +ATOM 2697 CG ASP A 187 2.054 12.753 -20.040 1.00 59.33 C +ATOM 2698 OD1 ASP A 187 1.943 13.170 -21.215 1.00 60.74 O +ATOM 2699 OD2 ASP A 187 2.536 11.644 -19.729 1.00 60.02 O1- +ATOM 2700 H ASP A 187 0.221 15.058 -17.270 1.00 0.00 H +ATOM 2701 HA ASP A 187 2.266 15.488 -19.232 1.00 0.00 H +ATOM 2702 HB3 ASP A 187 0.495 13.131 -18.561 1.00 0.00 H +ATOM 2703 HB2 ASP A 187 2.103 13.462 -18.045 1.00 0.00 H +ATOM 2704 N PRO A 188 0.862 16.064 -21.381 1.00 60.65 N +ATOM 2705 CA PRO A 188 0.080 16.540 -22.547 1.00 62.13 C +ATOM 2706 C PRO A 188 -1.033 15.645 -23.139 1.00 63.15 C +ATOM 2707 O PRO A 188 -2.003 16.201 -23.654 1.00 63.29 O +ATOM 2708 CB PRO A 188 1.154 16.832 -23.606 1.00 62.23 C +ATOM 2709 CG PRO A 188 2.356 17.275 -22.798 1.00 61.55 C +ATOM 2710 CD PRO A 188 2.283 16.395 -21.560 1.00 60.85 C +ATOM 2711 HA PRO A 188 -0.376 17.482 -22.239 1.00 0.00 H +ATOM 2712 HB3 PRO A 188 0.840 17.589 -24.326 1.00 0.00 H +ATOM 2713 HB2 PRO A 188 1.404 15.927 -24.163 1.00 0.00 H +ATOM 2714 HG3 PRO A 188 2.223 18.318 -22.507 1.00 0.00 H +ATOM 2715 HG2 PRO A 188 3.301 17.193 -23.335 1.00 0.00 H +ATOM 2716 HD2 PRO A 188 2.857 15.484 -21.718 1.00 0.00 H +ATOM 2717 HD3 PRO A 188 2.710 16.936 -20.714 1.00 0.00 H +ATOM 2718 N ARG A 189 -0.880 14.310 -23.079 1.00 64.44 N +ATOM 2719 CA ARG A 189 -1.813 13.327 -23.651 1.00 65.37 C +ATOM 2720 C ARG A 189 -2.956 12.983 -22.664 1.00 66.47 C +ATOM 2721 O ARG A 189 -3.819 13.832 -22.443 1.00 66.61 O +ATOM 2722 CB ARG A 189 -1.005 12.094 -24.122 1.00 65.44 C +ATOM 2723 CG ARG A 189 0.039 12.409 -25.207 1.00 66.51 C +ATOM 2724 CD ARG A 189 0.704 11.134 -25.748 1.00 66.86 C +ATOM 2725 NE ARG A 189 1.848 11.432 -26.618 1.00 66.26 N +ATOM 2726 CZ ARG A 189 3.074 11.785 -26.196 1.00 66.65 C +ATOM 2727 NH1 ARG A 189 3.355 11.902 -24.889 1.00 66.57 N +ATOM 2728 NH2 ARG A 189 4.035 12.025 -27.098 1.00 65.04 N1+ +ATOM 2729 H ARG A 189 -0.060 13.928 -22.627 1.00 0.00 H +ATOM 2730 HA ARG A 189 -2.286 13.764 -24.531 1.00 0.00 H +ATOM 2731 HB3 ARG A 189 -1.693 11.342 -24.513 1.00 0.00 H +ATOM 2732 HB2 ARG A 189 -0.495 11.639 -23.271 1.00 0.00 H +ATOM 2733 HG3 ARG A 189 0.780 13.144 -24.890 1.00 0.00 H +ATOM 2734 HG2 ARG A 189 -0.512 12.867 -26.030 1.00 0.00 H +ATOM 2735 HD3 ARG A 189 -0.010 10.670 -26.429 1.00 0.00 H +ATOM 2736 HD2 ARG A 189 0.914 10.389 -24.980 1.00 0.00 H +ATOM 2737 HE ARG A 189 1.668 11.393 -27.612 1.00 0.00 H +ATOM 2738 HH12 ARG A 189 4.277 12.170 -24.577 1.00 0.00 H +ATOM 2739 HH11 ARG A 189 2.636 11.731 -24.199 1.00 0.00 H +ATOM 2740 HH22 ARG A 189 4.961 12.294 -26.796 1.00 0.00 H +ATOM 2741 HH21 ARG A 189 3.845 11.941 -28.086 1.00 0.00 H +ATOM 2742 N ASN A 190 -2.928 11.757 -22.095 1.00 66.58 N +ATOM 2743 CA ASN A 190 -3.732 11.211 -20.983 1.00 66.84 C +ATOM 2744 C ASN A 190 -4.101 12.253 -19.909 1.00 66.83 C +ATOM 2745 O ASN A 190 -3.224 12.791 -19.231 1.00 66.79 O +ATOM 2746 CB ASN A 190 -3.003 10.040 -20.250 1.00 67.44 C +ATOM 2747 CG ASN A 190 -2.407 8.938 -21.130 1.00 68.51 C +ATOM 2748 ND2 ASN A 190 -1.418 8.214 -20.600 1.00 68.38 N +ATOM 2749 OD1 ASN A 190 -2.839 8.724 -22.260 1.00 68.94 O +ATOM 2750 H ASN A 190 -2.175 11.147 -22.379 1.00 0.00 H +ATOM 2751 HA ASN A 190 -4.665 10.826 -21.398 1.00 0.00 H +ATOM 2752 HB3 ASN A 190 -3.703 9.562 -19.563 1.00 0.00 H +ATOM 2753 HB2 ASN A 190 -2.197 10.415 -19.619 1.00 0.00 H +ATOM 2754 HD22 ASN A 190 -0.992 7.473 -21.138 1.00 0.00 H +ATOM 2755 HD21 ASN A 190 -1.075 8.412 -19.671 1.00 0.00 H +ATOM 2756 N LYS A 191 -5.405 12.505 -19.763 1.00 66.99 N +ATOM 2757 CA LYS A 191 -5.937 13.507 -18.838 1.00 67.22 C +ATOM 2758 C LYS A 191 -5.899 13.061 -17.362 1.00 66.45 C +ATOM 2759 O LYS A 191 -5.990 13.913 -16.479 1.00 65.12 O +ATOM 2760 CB LYS A 191 -7.358 13.885 -19.294 1.00 68.00 C +ATOM 2761 CG LYS A 191 -7.386 14.403 -20.749 1.00 69.16 C +ATOM 2762 CD LYS A 191 -8.712 15.046 -21.175 1.00 69.10 C +ATOM 2763 CE LYS A 191 -9.008 16.361 -20.438 1.00 69.33 C +ATOM 2764 NZ LYS A 191 -10.139 17.077 -21.049 1.00 70.64 N1+ +ATOM 2765 H LYS A 191 -6.078 12.030 -20.345 1.00 0.00 H +ATOM 2766 HA LYS A 191 -5.315 14.401 -18.910 1.00 0.00 H +ATOM 2767 HB3 LYS A 191 -7.740 14.651 -18.619 1.00 0.00 H +ATOM 2768 HB2 LYS A 191 -8.031 13.031 -19.200 1.00 0.00 H +ATOM 2769 HG3 LYS A 191 -7.178 13.577 -21.431 1.00 0.00 H +ATOM 2770 HG2 LYS A 191 -6.577 15.119 -20.900 1.00 0.00 H +ATOM 2771 HD3 LYS A 191 -9.529 14.342 -21.009 1.00 0.00 H +ATOM 2772 HD2 LYS A 191 -8.683 15.227 -22.251 1.00 0.00 H +ATOM 2773 HE3 LYS A 191 -8.138 17.017 -20.466 1.00 0.00 H +ATOM 2774 HE2 LYS A 191 -9.241 16.174 -19.390 1.00 0.00 H +ATOM 2775 HZ1 LYS A 191 -10.965 16.490 -21.050 1.00 0.00 H +ATOM 2776 HZ2 LYS A 191 -10.329 17.921 -20.528 1.00 0.00 H +ATOM 2777 HZ3 LYS A 191 -9.910 17.317 -22.002 1.00 0.00 H +ATOM 2778 N ARG A 192 -5.734 11.748 -17.131 1.00 66.07 N +ATOM 2779 CA ARG A 192 -5.586 11.117 -15.818 1.00 65.07 C +ATOM 2780 C ARG A 192 -4.111 10.876 -15.435 1.00 63.80 C +ATOM 2781 O ARG A 192 -3.864 10.391 -14.331 1.00 64.94 O +ATOM 2782 CB ARG A 192 -6.376 9.789 -15.805 1.00 65.08 C +ATOM 2783 CG ARG A 192 -7.829 9.933 -16.296 1.00 65.38 C +ATOM 2784 CD ARG A 192 -8.707 8.702 -16.025 1.00 64.94 C +ATOM 2785 NE ARG A 192 -9.011 8.538 -14.596 1.00 63.91 N +ATOM 2786 CZ ARG A 192 -9.857 9.302 -13.882 1.00 65.68 C +ATOM 2787 NH1 ARG A 192 -10.545 10.305 -14.446 1.00 64.31 N +ATOM 2788 NH2 ARG A 192 -10.025 9.057 -12.577 1.00 65.10 N1+ +ATOM 2789 H ARG A 192 -5.669 11.125 -17.923 1.00 0.00 H +ATOM 2790 HA ARG A 192 -6.008 11.766 -15.050 1.00 0.00 H +ATOM 2791 HB3 ARG A 192 -6.373 9.391 -14.789 1.00 0.00 H +ATOM 2792 HB2 ARG A 192 -5.871 9.044 -16.424 1.00 0.00 H +ATOM 2793 HG3 ARG A 192 -7.905 10.234 -17.341 1.00 0.00 H +ATOM 2794 HG2 ARG A 192 -8.242 10.763 -15.722 1.00 0.00 H +ATOM 2795 HD3 ARG A 192 -8.109 7.823 -16.261 1.00 0.00 H +ATOM 2796 HD2 ARG A 192 -9.584 8.647 -16.670 1.00 0.00 H +ATOM 2797 HE ARG A 192 -8.509 7.792 -14.134 1.00 0.00 H +ATOM 2798 HH12 ARG A 192 -11.154 10.886 -13.888 1.00 0.00 H +ATOM 2799 HH11 ARG A 192 -10.442 10.503 -15.435 1.00 0.00 H +ATOM 2800 HH22 ARG A 192 -10.662 9.617 -12.025 1.00 0.00 H +ATOM 2801 HH21 ARG A 192 -9.484 8.342 -12.108 1.00 0.00 H +ATOM 2802 N GLY A 193 -3.172 11.194 -16.344 1.00 61.68 N +ATOM 2803 CA GLY A 193 -1.740 10.951 -16.187 1.00 57.85 C +ATOM 2804 C GLY A 193 -0.992 12.254 -15.882 1.00 54.40 C +ATOM 2805 O GLY A 193 -1.482 13.357 -16.137 1.00 54.74 O +ATOM 2806 H GLY A 193 -3.458 11.633 -17.209 1.00 0.00 H +ATOM 2807 HA3 GLY A 193 -1.356 10.542 -17.121 1.00 0.00 H +ATOM 2808 HA2 GLY A 193 -1.539 10.211 -15.411 1.00 0.00 H +ATOM 2809 N VAL A 194 0.229 12.090 -15.352 1.00 51.20 N +ATOM 2810 CA VAL A 194 1.177 13.154 -15.029 1.00 47.88 C +ATOM 2811 C VAL A 194 2.603 12.697 -15.392 1.00 45.73 C +ATOM 2812 O VAL A 194 2.896 11.501 -15.358 1.00 44.54 O +ATOM 2813 CB VAL A 194 1.141 13.525 -13.513 1.00 48.42 C +ATOM 2814 CG1 VAL A 194 -0.222 14.106 -13.106 1.00 48.70 C +ATOM 2815 CG2 VAL A 194 1.560 12.393 -12.551 1.00 48.70 C +ATOM 2816 H VAL A 194 0.577 11.154 -15.196 1.00 0.00 H +ATOM 2817 HA VAL A 194 0.951 14.040 -15.622 1.00 0.00 H +ATOM 2818 HB VAL A 194 1.862 14.328 -13.358 1.00 0.00 H +ATOM 2819 HG11 VAL A 194 -0.219 14.472 -12.083 1.00 0.00 H +ATOM 2820 HG12 VAL A 194 -0.510 14.936 -13.751 1.00 0.00 H +ATOM 2821 HG13 VAL A 194 -0.994 13.342 -13.168 1.00 0.00 H +ATOM 2822 HG21 VAL A 194 1.433 12.697 -11.514 1.00 0.00 H +ATOM 2823 HG22 VAL A 194 0.954 11.500 -12.701 1.00 0.00 H +ATOM 2824 HG23 VAL A 194 2.605 12.114 -12.672 1.00 0.00 H +ATOM 2825 N ILE A 195 3.463 13.674 -15.713 1.00 44.00 N +ATOM 2826 CA ILE A 195 4.908 13.513 -15.879 1.00 42.15 C +ATOM 2827 C ILE A 195 5.580 13.853 -14.544 1.00 39.98 C +ATOM 2828 O ILE A 195 5.256 14.889 -13.970 1.00 40.39 O +ATOM 2829 CB ILE A 195 5.456 14.472 -16.986 1.00 42.60 C +ATOM 2830 CG1 ILE A 195 5.166 13.888 -18.382 1.00 44.09 C +ATOM 2831 CG2 ILE A 195 6.958 14.842 -16.901 1.00 43.47 C +ATOM 2832 CD1 ILE A 195 5.100 14.936 -19.501 1.00 45.10 C +ATOM 2833 H ILE A 195 3.137 14.632 -15.693 1.00 0.00 H +ATOM 2834 HA ILE A 195 5.144 12.482 -16.149 1.00 0.00 H +ATOM 2835 HB ILE A 195 4.900 15.408 -16.898 1.00 0.00 H +ATOM 2836 HG13 ILE A 195 4.235 13.332 -18.365 1.00 0.00 H +ATOM 2837 HG12 ILE A 195 5.924 13.144 -18.630 1.00 0.00 H +ATOM 2838 HG21 ILE A 195 7.260 15.460 -17.746 1.00 0.00 H +ATOM 2839 HG22 ILE A 195 7.198 15.419 -16.007 1.00 0.00 H +ATOM 2840 HG23 ILE A 195 7.589 13.953 -16.904 1.00 0.00 H +ATOM 2841 HD11 ILE A 195 4.548 14.545 -20.356 1.00 0.00 H +ATOM 2842 HD12 ILE A 195 4.605 15.850 -19.173 1.00 0.00 H +ATOM 2843 HD13 ILE A 195 6.097 15.203 -19.851 1.00 0.00 H +ATOM 2844 N ILE A 196 6.517 13.001 -14.104 1.00 39.35 N +ATOM 2845 CA ILE A 196 7.342 13.246 -12.923 1.00 38.26 C +ATOM 2846 C ILE A 196 8.800 13.291 -13.408 1.00 39.38 C +ATOM 2847 O ILE A 196 9.408 12.249 -13.659 1.00 41.32 O +ATOM 2848 CB ILE A 196 7.170 12.151 -11.829 1.00 37.13 C +ATOM 2849 CG1 ILE A 196 5.697 12.017 -11.368 1.00 37.59 C +ATOM 2850 CG2 ILE A 196 8.069 12.398 -10.594 1.00 36.34 C +ATOM 2851 CD1 ILE A 196 5.344 10.616 -10.854 1.00 38.64 C +ATOM 2852 H ILE A 196 6.735 12.168 -14.632 1.00 0.00 H +ATOM 2853 HA ILE A 196 7.101 14.206 -12.464 1.00 0.00 H +ATOM 2854 HB ILE A 196 7.465 11.195 -12.267 1.00 0.00 H +ATOM 2855 HG13 ILE A 196 5.013 12.226 -12.189 1.00 0.00 H +ATOM 2856 HG12 ILE A 196 5.465 12.766 -10.610 1.00 0.00 H +ATOM 2857 HG21 ILE A 196 7.993 11.579 -9.879 1.00 0.00 H +ATOM 2858 HG22 ILE A 196 9.122 12.503 -10.848 1.00 0.00 H +ATOM 2859 HG23 ILE A 196 7.779 13.313 -10.076 1.00 0.00 H +ATOM 2860 HD11 ILE A 196 4.520 10.658 -10.142 1.00 0.00 H +ATOM 2861 HD12 ILE A 196 5.034 9.971 -11.676 1.00 0.00 H +ATOM 2862 HD13 ILE A 196 6.191 10.137 -10.364 1.00 0.00 H +ATOM 2863 N LYS A 197 9.311 14.522 -13.560 1.00 38.14 N +ATOM 2864 CA LYS A 197 10.673 14.830 -13.981 1.00 37.79 C +ATOM 2865 C LYS A 197 11.701 14.366 -12.935 1.00 36.85 C +ATOM 2866 O LYS A 197 11.613 14.771 -11.775 1.00 35.36 O +ATOM 2867 CB LYS A 197 10.774 16.348 -14.252 1.00 37.13 C +ATOM 2868 CG LYS A 197 12.164 16.822 -14.718 1.00 39.41 C +ATOM 2869 CD LYS A 197 12.242 18.339 -14.927 1.00 41.69 C +ATOM 2870 CE LYS A 197 13.639 18.780 -15.387 1.00 44.71 C +ATOM 2871 NZ LYS A 197 13.715 20.241 -15.554 1.00 46.18 N1+ +ATOM 2872 H LYS A 197 8.748 15.319 -13.294 1.00 0.00 H +ATOM 2873 HA LYS A 197 10.854 14.303 -14.920 1.00 0.00 H +ATOM 2874 HB3 LYS A 197 10.501 16.893 -13.348 1.00 0.00 H +ATOM 2875 HB2 LYS A 197 10.036 16.625 -15.006 1.00 0.00 H +ATOM 2876 HG3 LYS A 197 12.425 16.310 -15.646 1.00 0.00 H +ATOM 2877 HG2 LYS A 197 12.926 16.541 -13.991 1.00 0.00 H +ATOM 2878 HD3 LYS A 197 11.982 18.847 -13.997 1.00 0.00 H +ATOM 2879 HD2 LYS A 197 11.496 18.644 -15.663 1.00 0.00 H +ATOM 2880 HE3 LYS A 197 13.895 18.304 -16.334 1.00 0.00 H +ATOM 2881 HE2 LYS A 197 14.391 18.475 -14.659 1.00 0.00 H +ATOM 2882 HZ1 LYS A 197 13.509 20.692 -14.674 1.00 0.00 H +ATOM 2883 HZ2 LYS A 197 14.644 20.499 -15.855 1.00 0.00 H +ATOM 2884 HZ3 LYS A 197 13.043 20.537 -16.248 1.00 0.00 H +ATOM 2885 N GLY A 198 12.676 13.568 -13.396 1.00 38.11 N +ATOM 2886 CA GLY A 198 13.820 13.125 -12.603 1.00 39.85 C +ATOM 2887 C GLY A 198 13.569 11.809 -11.852 1.00 40.71 C +ATOM 2888 O GLY A 198 14.491 11.345 -11.185 1.00 41.56 O +ATOM 2889 H GLY A 198 12.660 13.279 -14.363 1.00 0.00 H +ATOM 2890 HA3 GLY A 198 14.118 13.894 -11.887 1.00 0.00 H +ATOM 2891 HA2 GLY A 198 14.667 12.983 -13.275 1.00 0.00 H +ATOM 2892 N LEU A 199 12.370 11.200 -11.951 1.00 40.46 N +ATOM 2893 CA LEU A 199 12.066 9.899 -11.351 1.00 40.03 C +ATOM 2894 C LEU A 199 12.801 8.772 -12.094 1.00 41.70 C +ATOM 2895 O LEU A 199 12.438 8.457 -13.228 1.00 41.24 O +ATOM 2896 CB LEU A 199 10.537 9.676 -11.315 1.00 37.82 C +ATOM 2897 CG LEU A 199 10.077 8.362 -10.639 1.00 36.34 C +ATOM 2898 CD1 LEU A 199 10.536 8.276 -9.172 1.00 35.93 C +ATOM 2899 CD2 LEU A 199 8.553 8.174 -10.770 1.00 35.17 C +ATOM 2900 H LEU A 199 11.640 11.618 -12.511 1.00 0.00 H +ATOM 2901 HA LEU A 199 12.423 9.922 -10.320 1.00 0.00 H +ATOM 2902 HB3 LEU A 199 10.145 9.720 -12.333 1.00 0.00 H +ATOM 2903 HB2 LEU A 199 10.082 10.507 -10.782 1.00 0.00 H +ATOM 2904 HG LEU A 199 10.527 7.526 -11.173 1.00 0.00 H +ATOM 2905 HD11 LEU A 199 9.908 7.606 -8.585 1.00 0.00 H +ATOM 2906 HD12 LEU A 199 11.554 7.895 -9.113 1.00 0.00 H +ATOM 2907 HD13 LEU A 199 10.528 9.252 -8.686 1.00 0.00 H +ATOM 2908 HD21 LEU A 199 8.310 7.148 -11.049 1.00 0.00 H +ATOM 2909 HD22 LEU A 199 8.030 8.396 -9.843 1.00 0.00 H +ATOM 2910 HD23 LEU A 199 8.126 8.824 -11.534 1.00 0.00 H +ATOM 2911 N GLU A 200 13.815 8.196 -11.431 1.00 42.28 N +ATOM 2912 CA GLU A 200 14.600 7.072 -11.928 1.00 45.64 C +ATOM 2913 C GLU A 200 13.774 5.789 -12.010 1.00 45.00 C +ATOM 2914 O GLU A 200 13.125 5.408 -11.035 1.00 43.55 O +ATOM 2915 CB GLU A 200 15.840 6.836 -11.035 1.00 49.57 C +ATOM 2916 CG GLU A 200 16.986 7.836 -11.260 1.00 57.01 C +ATOM 2917 CD GLU A 200 17.584 7.761 -12.665 1.00 60.33 C +ATOM 2918 OE1 GLU A 200 17.974 6.639 -13.057 1.00 62.11 O +ATOM 2919 OE2 GLU A 200 17.634 8.821 -13.325 1.00 62.56 O1- +ATOM 2920 H GLU A 200 14.066 8.536 -10.506 1.00 0.00 H +ATOM 2921 HA GLU A 200 14.923 7.322 -12.940 1.00 0.00 H +ATOM 2922 HB3 GLU A 200 16.226 5.825 -11.186 1.00 0.00 H +ATOM 2923 HB2 GLU A 200 15.548 6.866 -9.985 1.00 0.00 H +ATOM 2924 HG3 GLU A 200 17.789 7.599 -10.568 1.00 0.00 H +ATOM 2925 HG2 GLU A 200 16.657 8.852 -11.041 1.00 0.00 H +ATOM 2926 N GLU A 201 13.882 5.130 -13.168 1.00 45.79 N +ATOM 2927 CA GLU A 201 13.361 3.799 -13.418 1.00 46.72 C +ATOM 2928 C GLU A 201 14.571 2.874 -13.566 1.00 46.76 C +ATOM 2929 O GLU A 201 15.275 2.950 -14.574 1.00 47.10 O +ATOM 2930 CB GLU A 201 12.500 3.812 -14.692 1.00 48.30 C +ATOM 2931 CG GLU A 201 11.230 4.678 -14.570 1.00 53.27 C +ATOM 2932 CD GLU A 201 10.357 4.640 -15.827 1.00 56.17 C +ATOM 2933 OE1 GLU A 201 9.158 4.963 -15.692 1.00 57.27 O +ATOM 2934 OE2 GLU A 201 10.887 4.286 -16.904 1.00 58.06 O1- +ATOM 2935 H GLU A 201 14.449 5.522 -13.906 1.00 0.00 H +ATOM 2936 HA GLU A 201 12.740 3.454 -12.590 1.00 0.00 H +ATOM 2937 HB3 GLU A 201 12.208 2.789 -14.929 1.00 0.00 H +ATOM 2938 HB2 GLU A 201 13.101 4.163 -15.533 1.00 0.00 H +ATOM 2939 HG3 GLU A 201 11.492 5.718 -14.372 1.00 0.00 H +ATOM 2940 HG2 GLU A 201 10.633 4.338 -13.723 1.00 0.00 H +ATOM 2941 N ILE A 202 14.806 2.040 -12.544 1.00 46.40 N +ATOM 2942 CA ILE A 202 15.903 1.078 -12.524 1.00 46.13 C +ATOM 2943 C ILE A 202 15.439 -0.233 -13.165 1.00 45.18 C +ATOM 2944 O ILE A 202 14.514 -0.864 -12.654 1.00 45.33 O +ATOM 2945 CB ILE A 202 16.412 0.797 -11.079 1.00 45.98 C +ATOM 2946 CG1 ILE A 202 17.036 2.086 -10.498 1.00 47.32 C +ATOM 2947 CG2 ILE A 202 17.423 -0.374 -11.001 1.00 45.32 C +ATOM 2948 CD1 ILE A 202 17.571 1.950 -9.069 1.00 48.95 C +ATOM 2949 H ILE A 202 14.175 2.021 -11.752 1.00 0.00 H +ATOM 2950 HA ILE A 202 16.743 1.475 -13.098 1.00 0.00 H +ATOM 2951 HB ILE A 202 15.555 0.535 -10.455 1.00 0.00 H +ATOM 2952 HG13 ILE A 202 16.307 2.896 -10.514 1.00 0.00 H +ATOM 2953 HG12 ILE A 202 17.855 2.412 -11.142 1.00 0.00 H +ATOM 2954 HG21 ILE A 202 17.773 -0.538 -9.984 1.00 0.00 H +ATOM 2955 HG22 ILE A 202 16.997 -1.324 -11.322 1.00 0.00 H +ATOM 2956 HG23 ILE A 202 18.298 -0.182 -11.622 1.00 0.00 H +ATOM 2957 HD11 ILE A 202 17.669 2.934 -8.616 1.00 0.00 H +ATOM 2958 HD12 ILE A 202 16.907 1.351 -8.445 1.00 0.00 H +ATOM 2959 HD13 ILE A 202 18.559 1.490 -9.053 1.00 0.00 H +ATOM 2960 N THR A 203 16.129 -0.629 -14.246 1.00 44.53 N +ATOM 2961 CA THR A 203 15.949 -1.921 -14.897 1.00 44.04 C +ATOM 2962 C THR A 203 16.462 -3.061 -13.998 1.00 43.54 C +ATOM 2963 O THR A 203 17.614 -3.026 -13.563 1.00 43.23 O +ATOM 2964 CB THR A 203 16.704 -1.996 -16.249 1.00 44.86 C +ATOM 2965 CG2 THR A 203 16.543 -3.333 -17.002 1.00 44.45 C +ATOM 2966 OG1 THR A 203 16.236 -0.964 -17.096 1.00 43.73 O +ATOM 2967 H THR A 203 16.865 -0.045 -14.615 1.00 0.00 H +ATOM 2968 HA THR A 203 14.885 -2.049 -15.091 1.00 0.00 H +ATOM 2969 HB THR A 203 17.768 -1.815 -16.084 1.00 0.00 H +ATOM 2970 HG21 THR A 203 17.014 -3.287 -17.985 1.00 0.00 H +ATOM 2971 HG22 THR A 203 17.007 -4.163 -16.468 1.00 0.00 H +ATOM 2972 HG23 THR A 203 15.491 -3.581 -17.149 1.00 0.00 H +ATOM 2973 HG1 THR A 203 15.323 -1.152 -17.327 1.00 0.00 H +ATOM 2974 N VAL A 204 15.587 -4.044 -13.758 1.00 44.30 N +ATOM 2975 CA VAL A 204 15.878 -5.253 -13.005 1.00 45.77 C +ATOM 2976 C VAL A 204 16.026 -6.385 -14.040 1.00 46.96 C +ATOM 2977 O VAL A 204 15.072 -6.692 -14.757 1.00 47.51 O +ATOM 2978 CB VAL A 204 14.731 -5.617 -12.020 1.00 44.79 C +ATOM 2979 CG1 VAL A 204 15.185 -6.694 -11.020 1.00 45.00 C +ATOM 2980 CG2 VAL A 204 14.164 -4.400 -11.267 1.00 44.50 C +ATOM 2981 H VAL A 204 14.662 -3.998 -14.171 1.00 0.00 H +ATOM 2982 HA VAL A 204 16.805 -5.143 -12.438 1.00 0.00 H +ATOM 2983 HB VAL A 204 13.885 -6.024 -12.571 1.00 0.00 H +ATOM 2984 HG11 VAL A 204 14.382 -6.934 -10.327 1.00 0.00 H +ATOM 2985 HG12 VAL A 204 15.474 -7.617 -11.521 1.00 0.00 H +ATOM 2986 HG13 VAL A 204 16.040 -6.358 -10.432 1.00 0.00 H +ATOM 2987 HG21 VAL A 204 13.444 -4.700 -10.506 1.00 0.00 H +ATOM 2988 HG22 VAL A 204 14.951 -3.835 -10.777 1.00 0.00 H +ATOM 2989 HG23 VAL A 204 13.644 -3.719 -11.943 1.00 0.00 H +ATOM 2990 N HIS A 205 17.243 -6.934 -14.144 1.00 48.27 N +ATOM 2991 CA HIS A 205 17.629 -7.903 -15.172 1.00 50.42 C +ATOM 2992 C HIS A 205 17.269 -9.346 -14.783 1.00 50.78 C +ATOM 2993 O HIS A 205 16.972 -10.145 -15.669 1.00 50.81 O +ATOM 2994 CB HIS A 205 19.141 -7.772 -15.450 1.00 50.66 C +ATOM 2995 CG HIS A 205 19.568 -6.396 -15.911 1.00 50.85 C +ATOM 2996 CD2 HIS A 205 19.605 -5.823 -17.169 1.00 50.79 C +ATOM 2997 ND1 HIS A 205 20.049 -5.446 -15.025 1.00 51.12 N1+ +ATOM 2998 CE1 HIS A 205 20.327 -4.352 -15.725 1.00 50.20 C +ATOM 2999 NE2 HIS A 205 20.078 -4.528 -17.022 1.00 50.46 N +ATOM 3000 H HIS A 205 17.980 -6.629 -13.514 1.00 0.00 H +ATOM 3001 HA HIS A 205 17.098 -7.668 -16.097 1.00 0.00 H +ATOM 3002 HB3 HIS A 205 19.439 -8.487 -16.218 1.00 0.00 H +ATOM 3003 HB2 HIS A 205 19.712 -8.031 -14.556 1.00 0.00 H +ATOM 3004 HD2 HIS A 205 19.329 -6.209 -18.139 1.00 0.00 H +ATOM 3005 HD1 HIS A 205 20.139 -5.558 -14.016 1.00 0.00 H +ATOM 3006 HE1 HIS A 205 20.704 -3.436 -15.294 1.00 0.00 H +ATOM 3007 HE2 HIS A 205 20.213 -3.848 -17.756 1.00 0.00 H +ATOM 3008 N ASN A 206 17.298 -9.650 -13.476 1.00 51.18 N +ATOM 3009 CA ASN A 206 17.016 -10.971 -12.908 1.00 51.18 C +ATOM 3010 C ASN A 206 16.657 -10.840 -11.421 1.00 51.21 C +ATOM 3011 O ASN A 206 16.899 -9.794 -10.816 1.00 51.46 O +ATOM 3012 CB ASN A 206 18.191 -11.956 -13.171 1.00 50.68 C +ATOM 3013 CG ASN A 206 19.564 -11.486 -12.667 1.00 52.37 C +ATOM 3014 ND2 ASN A 206 20.508 -11.259 -13.582 1.00 52.82 N +ATOM 3015 OD1 ASN A 206 19.778 -11.346 -11.468 1.00 53.55 O +ATOM 3016 H ASN A 206 17.528 -8.931 -12.804 1.00 0.00 H +ATOM 3017 HA ASN A 206 16.136 -11.353 -13.427 1.00 0.00 H +ATOM 3018 HB3 ASN A 206 18.261 -12.155 -14.241 1.00 0.00 H +ATOM 3019 HB2 ASN A 206 17.977 -12.922 -12.713 1.00 0.00 H +ATOM 3020 HD22 ASN A 206 21.427 -10.961 -13.291 1.00 0.00 H +ATOM 3021 HD21 ASN A 206 20.313 -11.391 -14.564 1.00 0.00 H +ATOM 3022 N LYS A 207 16.108 -11.928 -10.851 1.00 52.18 N +ATOM 3023 CA LYS A 207 15.779 -12.040 -9.427 1.00 53.37 C +ATOM 3024 C LYS A 207 16.990 -11.852 -8.494 1.00 53.82 C +ATOM 3025 O LYS A 207 16.830 -11.248 -7.439 1.00 53.82 O +ATOM 3026 CB LYS A 207 15.028 -13.357 -9.144 1.00 55.31 C +ATOM 3027 CG LYS A 207 15.666 -14.668 -9.647 1.00 56.90 C +ATOM 3028 CD LYS A 207 14.951 -15.936 -9.131 1.00 58.37 C +ATOM 3029 CE LYS A 207 13.477 -16.095 -9.562 1.00 58.94 C +ATOM 3030 NZ LYS A 207 12.921 -17.374 -9.087 1.00 60.33 N1+ +ATOM 3031 H LYS A 207 15.938 -12.752 -11.410 1.00 0.00 H +ATOM 3032 HA LYS A 207 15.077 -11.237 -9.213 1.00 0.00 H +ATOM 3033 HB3 LYS A 207 14.030 -13.268 -9.569 1.00 0.00 H +ATOM 3034 HB2 LYS A 207 14.869 -13.431 -8.066 1.00 0.00 H +ATOM 3035 HG3 LYS A 207 16.710 -14.712 -9.333 1.00 0.00 H +ATOM 3036 HG2 LYS A 207 15.680 -14.683 -10.737 1.00 0.00 H +ATOM 3037 HD3 LYS A 207 15.006 -15.957 -8.041 1.00 0.00 H +ATOM 3038 HD2 LYS A 207 15.514 -16.808 -9.466 1.00 0.00 H +ATOM 3039 HE3 LYS A 207 13.389 -16.062 -10.648 1.00 0.00 H +ATOM 3040 HE2 LYS A 207 12.862 -15.290 -9.159 1.00 0.00 H +ATOM 3041 HZ1 LYS A 207 12.931 -17.382 -8.076 1.00 0.00 H +ATOM 3042 HZ2 LYS A 207 11.970 -17.494 -9.405 1.00 0.00 H +ATOM 3043 HZ3 LYS A 207 13.475 -18.143 -9.433 1.00 0.00 H +ATOM 3044 N ASP A 208 18.183 -12.302 -8.919 1.00 53.64 N +ATOM 3045 CA ASP A 208 19.461 -12.176 -8.203 1.00 54.33 C +ATOM 3046 C ASP A 208 20.048 -10.742 -8.186 1.00 53.71 C +ATOM 3047 O ASP A 208 21.176 -10.564 -7.727 1.00 54.95 O +ATOM 3048 CB ASP A 208 20.507 -13.218 -8.675 1.00 56.35 C +ATOM 3049 CG ASP A 208 19.952 -14.641 -8.797 1.00 58.62 C +ATOM 3050 OD1 ASP A 208 19.755 -15.269 -7.734 1.00 59.21 O +ATOM 3051 OD2 ASP A 208 19.732 -15.077 -9.948 1.00 60.63 O1- +ATOM 3052 H ASP A 208 18.241 -12.763 -9.817 1.00 0.00 H +ATOM 3053 HA ASP A 208 19.250 -12.408 -7.157 1.00 0.00 H +ATOM 3054 HB3 ASP A 208 21.366 -13.249 -8.003 1.00 0.00 H +ATOM 3055 HB2 ASP A 208 20.927 -12.928 -9.639 1.00 0.00 H +ATOM 3056 N GLU A 209 19.270 -9.751 -8.655 1.00 52.25 N +ATOM 3057 CA GLU A 209 19.565 -8.320 -8.618 1.00 50.66 C +ATOM 3058 C GLU A 209 18.474 -7.535 -7.855 1.00 48.60 C +ATOM 3059 O GLU A 209 18.715 -6.379 -7.507 1.00 47.52 O +ATOM 3060 CB GLU A 209 19.722 -7.841 -10.075 1.00 52.62 C +ATOM 3061 CG GLU A 209 20.209 -6.387 -10.244 1.00 55.80 C +ATOM 3062 CD GLU A 209 20.314 -6.005 -11.714 1.00 58.39 C +ATOM 3063 OE1 GLU A 209 19.281 -6.126 -12.403 1.00 60.18 O +ATOM 3064 OE2 GLU A 209 21.414 -5.599 -12.143 1.00 60.45 O1- +ATOM 3065 H GLU A 209 18.382 -9.999 -9.069 1.00 0.00 H +ATOM 3066 HA GLU A 209 20.506 -8.147 -8.093 1.00 0.00 H +ATOM 3067 HB3 GLU A 209 18.767 -7.961 -10.588 1.00 0.00 H +ATOM 3068 HB2 GLU A 209 20.418 -8.504 -10.593 1.00 0.00 H +ATOM 3069 HG3 GLU A 209 21.176 -6.254 -9.757 1.00 0.00 H +ATOM 3070 HG2 GLU A 209 19.521 -5.681 -9.782 1.00 0.00 H +ATOM 3071 N VAL A 210 17.311 -8.163 -7.580 1.00 46.40 N +ATOM 3072 CA VAL A 210 16.172 -7.572 -6.863 1.00 44.14 C +ATOM 3073 C VAL A 210 16.547 -7.056 -5.466 1.00 43.51 C +ATOM 3074 O VAL A 210 16.220 -5.914 -5.152 1.00 42.39 O +ATOM 3075 CB VAL A 210 14.983 -8.576 -6.728 1.00 44.48 C +ATOM 3076 CG1 VAL A 210 13.860 -8.189 -5.737 1.00 42.85 C +ATOM 3077 CG2 VAL A 210 14.355 -8.831 -8.107 1.00 42.99 C +ATOM 3078 H VAL A 210 17.193 -9.125 -7.865 1.00 0.00 H +ATOM 3079 HA VAL A 210 15.836 -6.715 -7.451 1.00 0.00 H +ATOM 3080 HB VAL A 210 15.386 -9.522 -6.369 1.00 0.00 H +ATOM 3081 HG11 VAL A 210 13.040 -8.906 -5.778 1.00 0.00 H +ATOM 3082 HG12 VAL A 210 14.204 -8.182 -4.702 1.00 0.00 H +ATOM 3083 HG13 VAL A 210 13.452 -7.202 -5.961 1.00 0.00 H +ATOM 3084 HG21 VAL A 210 13.672 -9.681 -8.081 1.00 0.00 H +ATOM 3085 HG22 VAL A 210 13.789 -7.961 -8.436 1.00 0.00 H +ATOM 3086 HG23 VAL A 210 15.108 -9.031 -8.869 1.00 0.00 H +ATOM 3087 N TYR A 211 17.232 -7.896 -4.670 1.00 42.45 N +ATOM 3088 CA TYR A 211 17.559 -7.598 -3.277 1.00 41.99 C +ATOM 3089 C TYR A 211 18.482 -6.383 -3.095 1.00 43.14 C +ATOM 3090 O TYR A 211 18.230 -5.596 -2.187 1.00 42.53 O +ATOM 3091 CB TYR A 211 18.121 -8.850 -2.587 1.00 40.52 C +ATOM 3092 CG TYR A 211 18.148 -8.702 -1.071 1.00 39.40 C +ATOM 3093 CD1 TYR A 211 16.945 -8.752 -0.335 1.00 39.03 C +ATOM 3094 CD2 TYR A 211 19.358 -8.446 -0.396 1.00 39.70 C +ATOM 3095 CE1 TYR A 211 16.950 -8.484 1.047 1.00 37.82 C +ATOM 3096 CE2 TYR A 211 19.363 -8.213 0.992 1.00 39.48 C +ATOM 3097 CZ TYR A 211 18.155 -8.170 1.707 1.00 38.29 C +ATOM 3098 OH TYR A 211 18.149 -7.806 3.023 1.00 39.27 O +ATOM 3099 H TYR A 211 17.483 -8.814 -5.008 1.00 0.00 H +ATOM 3100 HA TYR A 211 16.612 -7.348 -2.794 1.00 0.00 H +ATOM 3101 HB3 TYR A 211 19.116 -9.094 -2.961 1.00 0.00 H +ATOM 3102 HB2 TYR A 211 17.491 -9.712 -2.811 1.00 0.00 H +ATOM 3103 HD1 TYR A 211 16.008 -8.954 -0.832 1.00 0.00 H +ATOM 3104 HD2 TYR A 211 20.293 -8.405 -0.936 1.00 0.00 H +ATOM 3105 HE1 TYR A 211 16.016 -8.495 1.583 1.00 0.00 H +ATOM 3106 HE2 TYR A 211 20.302 -8.023 1.492 1.00 0.00 H +ATOM 3107 HH TYR A 211 18.957 -7.357 3.339 1.00 0.00 H +ATOM 3108 N GLN A 212 19.479 -6.222 -3.985 1.00 43.75 N +ATOM 3109 CA GLN A 212 20.366 -5.055 -4.035 1.00 43.56 C +ATOM 3110 C GLN A 212 19.639 -3.716 -4.223 1.00 41.95 C +ATOM 3111 O GLN A 212 20.005 -2.736 -3.574 1.00 41.64 O +ATOM 3112 CB GLN A 212 21.423 -5.226 -5.145 1.00 46.00 C +ATOM 3113 CG GLN A 212 22.669 -6.003 -4.699 1.00 48.97 C +ATOM 3114 CD GLN A 212 23.766 -5.911 -5.760 1.00 50.63 C +ATOM 3115 NE2 GLN A 212 24.825 -5.148 -5.480 1.00 51.22 N +ATOM 3116 OE1 GLN A 212 23.656 -6.513 -6.825 1.00 50.62 O +ATOM 3117 H GLN A 212 19.607 -6.909 -4.714 1.00 0.00 H +ATOM 3118 HA GLN A 212 20.875 -4.998 -3.071 1.00 0.00 H +ATOM 3119 HB3 GLN A 212 21.754 -4.242 -5.484 1.00 0.00 H +ATOM 3120 HB2 GLN A 212 20.977 -5.699 -6.023 1.00 0.00 H +ATOM 3121 HG3 GLN A 212 22.420 -7.050 -4.524 1.00 0.00 H +ATOM 3122 HG2 GLN A 212 23.044 -5.608 -3.754 1.00 0.00 H +ATOM 3123 HE22 GLN A 212 25.573 -5.059 -6.153 1.00 0.00 H +ATOM 3124 HE21 GLN A 212 24.890 -4.666 -4.596 1.00 0.00 H +ATOM 3125 N ILE A 213 18.623 -3.706 -5.100 1.00 40.96 N +ATOM 3126 CA ILE A 213 17.795 -2.536 -5.384 1.00 40.40 C +ATOM 3127 C ILE A 213 16.915 -2.148 -4.178 1.00 38.82 C +ATOM 3128 O ILE A 213 16.811 -0.960 -3.874 1.00 38.70 O +ATOM 3129 CB ILE A 213 16.919 -2.756 -6.652 1.00 41.38 C +ATOM 3130 CG1 ILE A 213 17.820 -2.921 -7.900 1.00 41.39 C +ATOM 3131 CG2 ILE A 213 15.862 -1.654 -6.894 1.00 41.81 C +ATOM 3132 CD1 ILE A 213 17.093 -3.491 -9.122 1.00 43.68 C +ATOM 3133 H ILE A 213 18.385 -4.554 -5.596 1.00 0.00 H +ATOM 3134 HA ILE A 213 18.465 -1.696 -5.581 1.00 0.00 H +ATOM 3135 HB ILE A 213 16.377 -3.693 -6.523 1.00 0.00 H +ATOM 3136 HG13 ILE A 213 18.660 -3.581 -7.686 1.00 0.00 H +ATOM 3137 HG12 ILE A 213 18.265 -1.959 -8.155 1.00 0.00 H +ATOM 3138 HG21 ILE A 213 15.353 -1.795 -7.843 1.00 0.00 H +ATOM 3139 HG22 ILE A 213 15.086 -1.650 -6.128 1.00 0.00 H +ATOM 3140 HG23 ILE A 213 16.322 -0.665 -6.918 1.00 0.00 H +ATOM 3141 HD11 ILE A 213 17.802 -3.831 -9.877 1.00 0.00 H +ATOM 3142 HD12 ILE A 213 16.466 -4.341 -8.851 1.00 0.00 H +ATOM 3143 HD13 ILE A 213 16.461 -2.735 -9.583 1.00 0.00 H +ATOM 3144 N LEU A 214 16.352 -3.155 -3.487 1.00 37.14 N +ATOM 3145 CA LEU A 214 15.557 -2.977 -2.272 1.00 36.39 C +ATOM 3146 C LEU A 214 16.396 -2.516 -1.064 1.00 36.96 C +ATOM 3147 O LEU A 214 15.913 -1.680 -0.302 1.00 36.52 O +ATOM 3148 CB LEU A 214 14.785 -4.276 -1.956 1.00 34.22 C +ATOM 3149 CG LEU A 214 13.780 -4.739 -3.041 1.00 34.05 C +ATOM 3150 CD1 LEU A 214 13.069 -6.034 -2.614 1.00 33.97 C +ATOM 3151 CD2 LEU A 214 12.762 -3.662 -3.446 1.00 31.89 C +ATOM 3152 H LEU A 214 16.490 -4.107 -3.797 1.00 0.00 H +ATOM 3153 HA LEU A 214 14.839 -2.179 -2.463 1.00 0.00 H +ATOM 3154 HB3 LEU A 214 14.234 -4.131 -1.029 1.00 0.00 H +ATOM 3155 HB2 LEU A 214 15.498 -5.077 -1.752 1.00 0.00 H +ATOM 3156 HG LEU A 214 14.343 -4.979 -3.939 1.00 0.00 H +ATOM 3157 HD11 LEU A 214 12.729 -6.598 -3.482 1.00 0.00 H +ATOM 3158 HD12 LEU A 214 13.731 -6.683 -2.043 1.00 0.00 H +ATOM 3159 HD13 LEU A 214 12.196 -5.824 -1.993 1.00 0.00 H +ATOM 3160 HD21 LEU A 214 11.836 -4.098 -3.816 1.00 0.00 H +ATOM 3161 HD22 LEU A 214 12.507 -3.023 -2.606 1.00 0.00 H +ATOM 3162 HD23 LEU A 214 13.155 -3.029 -4.243 1.00 0.00 H +ATOM 3163 N GLU A 215 17.644 -3.010 -0.937 1.00 36.83 N +ATOM 3164 CA GLU A 215 18.626 -2.547 0.051 1.00 37.19 C +ATOM 3165 C GLU A 215 19.002 -1.070 -0.123 1.00 35.62 C +ATOM 3166 O GLU A 215 19.078 -0.360 0.878 1.00 34.59 O +ATOM 3167 CB GLU A 215 19.907 -3.399 0.000 1.00 38.50 C +ATOM 3168 CG GLU A 215 19.786 -4.762 0.694 1.00 40.59 C +ATOM 3169 CD GLU A 215 21.124 -5.496 0.654 1.00 43.18 C +ATOM 3170 OE1 GLU A 215 21.547 -5.865 -0.463 1.00 43.05 O +ATOM 3171 OE2 GLU A 215 21.705 -5.676 1.747 1.00 42.79 O1- +ATOM 3172 H GLU A 215 17.965 -3.720 -1.583 1.00 0.00 H +ATOM 3173 HA GLU A 215 18.178 -2.648 1.042 1.00 0.00 H +ATOM 3174 HB3 GLU A 215 20.736 -2.854 0.457 1.00 0.00 H +ATOM 3175 HB2 GLU A 215 20.197 -3.551 -1.040 1.00 0.00 H +ATOM 3176 HG3 GLU A 215 19.023 -5.380 0.224 1.00 0.00 H +ATOM 3177 HG2 GLU A 215 19.478 -4.628 1.731 1.00 0.00 H +ATOM 3178 N LYS A 216 19.198 -0.632 -1.381 1.00 34.60 N +ATOM 3179 CA LYS A 216 19.397 0.773 -1.742 1.00 35.20 C +ATOM 3180 C LYS A 216 18.195 1.660 -1.389 1.00 33.65 C +ATOM 3181 O LYS A 216 18.409 2.775 -0.919 1.00 33.67 O +ATOM 3182 CB LYS A 216 19.785 0.899 -3.234 1.00 37.19 C +ATOM 3183 CG LYS A 216 21.293 1.102 -3.462 1.00 41.61 C +ATOM 3184 CD LYS A 216 21.777 2.511 -3.059 1.00 45.71 C +ATOM 3185 CE LYS A 216 23.286 2.724 -3.249 1.00 48.01 C +ATOM 3186 NZ LYS A 216 24.076 1.880 -2.334 1.00 49.53 N1+ +ATOM 3187 H LYS A 216 19.140 -1.288 -2.149 1.00 0.00 H +ATOM 3188 HA LYS A 216 20.229 1.118 -1.127 1.00 0.00 H +ATOM 3189 HB3 LYS A 216 19.273 1.745 -3.696 1.00 0.00 H +ATOM 3190 HB2 LYS A 216 19.435 0.028 -3.789 1.00 0.00 H +ATOM 3191 HG3 LYS A 216 21.515 0.936 -4.517 1.00 0.00 H +ATOM 3192 HG2 LYS A 216 21.842 0.336 -2.913 1.00 0.00 H +ATOM 3193 HD3 LYS A 216 21.511 2.731 -2.025 1.00 0.00 H +ATOM 3194 HD2 LYS A 216 21.246 3.251 -3.660 1.00 0.00 H +ATOM 3195 HE3 LYS A 216 23.538 3.767 -3.057 1.00 0.00 H +ATOM 3196 HE2 LYS A 216 23.574 2.511 -4.279 1.00 0.00 H +ATOM 3197 HZ1 LYS A 216 23.874 0.907 -2.515 1.00 0.00 H +ATOM 3198 HZ2 LYS A 216 25.061 2.052 -2.482 1.00 0.00 H +ATOM 3199 HZ3 LYS A 216 23.836 2.100 -1.378 1.00 0.00 H +ATOM 3200 N GLY A 217 16.973 1.127 -1.566 1.00 33.75 N +ATOM 3201 CA GLY A 217 15.711 1.747 -1.169 1.00 32.24 C +ATOM 3202 C GLY A 217 15.687 2.040 0.335 1.00 30.95 C +ATOM 3203 O GLY A 217 15.548 3.197 0.728 1.00 30.94 O +ATOM 3204 H GLY A 217 16.908 0.202 -1.970 1.00 0.00 H +ATOM 3205 HA3 GLY A 217 14.893 1.070 -1.416 1.00 0.00 H +ATOM 3206 HA2 GLY A 217 15.549 2.659 -1.732 1.00 0.00 H +ATOM 3207 N ALA A 218 15.876 0.993 1.155 1.00 31.76 N +ATOM 3208 CA ALA A 218 15.915 1.049 2.617 1.00 30.06 C +ATOM 3209 C ALA A 218 17.042 1.931 3.189 1.00 30.68 C +ATOM 3210 O ALA A 218 16.816 2.620 4.184 1.00 28.25 O +ATOM 3211 CB ALA A 218 16.011 -0.384 3.160 1.00 30.77 C +ATOM 3212 H ALA A 218 16.002 0.075 0.748 1.00 0.00 H +ATOM 3213 HA ALA A 218 14.965 1.473 2.950 1.00 0.00 H +ATOM 3214 HB1 ALA A 218 16.057 -0.392 4.250 1.00 0.00 H +ATOM 3215 HB2 ALA A 218 15.136 -0.969 2.874 1.00 0.00 H +ATOM 3216 HB3 ALA A 218 16.897 -0.899 2.786 1.00 0.00 H +ATOM 3217 N ALA A 219 18.219 1.919 2.538 1.00 30.08 N +ATOM 3218 CA ALA A 219 19.375 2.745 2.887 1.00 31.41 C +ATOM 3219 C ALA A 219 19.129 4.245 2.662 1.00 31.60 C +ATOM 3220 O ALA A 219 19.476 5.039 3.534 1.00 31.54 O +ATOM 3221 CB ALA A 219 20.605 2.273 2.099 1.00 34.27 C +ATOM 3222 H ALA A 219 18.336 1.306 1.741 1.00 0.00 H +ATOM 3223 HA ALA A 219 19.581 2.596 3.949 1.00 0.00 H +ATOM 3224 HB1 ALA A 219 21.485 2.869 2.342 1.00 0.00 H +ATOM 3225 HB2 ALA A 219 20.842 1.234 2.330 1.00 0.00 H +ATOM 3226 HB3 ALA A 219 20.443 2.344 1.023 1.00 0.00 H +ATOM 3227 N LYS A 220 18.495 4.602 1.530 1.00 32.32 N +ATOM 3228 CA LYS A 220 18.081 5.974 1.238 1.00 32.64 C +ATOM 3229 C LYS A 220 16.969 6.477 2.172 1.00 30.46 C +ATOM 3230 O LYS A 220 17.004 7.649 2.537 1.00 31.31 O +ATOM 3231 CB LYS A 220 17.694 6.132 -0.244 1.00 35.19 C +ATOM 3232 CG LYS A 220 18.897 6.094 -1.207 1.00 41.44 C +ATOM 3233 CD LYS A 220 18.593 6.748 -2.563 1.00 45.82 C +ATOM 3234 CE LYS A 220 18.792 8.271 -2.529 1.00 46.78 C +ATOM 3235 NZ LYS A 220 18.118 8.941 -3.651 1.00 49.70 N1+ +ATOM 3236 H LYS A 220 18.239 3.899 0.848 1.00 0.00 H +ATOM 3237 HA LYS A 220 18.946 6.615 1.422 1.00 0.00 H +ATOM 3238 HB3 LYS A 220 17.210 7.101 -0.363 1.00 0.00 H +ATOM 3239 HB2 LYS A 220 16.949 5.389 -0.533 1.00 0.00 H +ATOM 3240 HG3 LYS A 220 19.209 5.066 -1.371 1.00 0.00 H +ATOM 3241 HG2 LYS A 220 19.759 6.587 -0.757 1.00 0.00 H +ATOM 3242 HD3 LYS A 220 17.571 6.521 -2.859 1.00 0.00 H +ATOM 3243 HD2 LYS A 220 19.229 6.303 -3.328 1.00 0.00 H +ATOM 3244 HE3 LYS A 220 19.855 8.510 -2.558 1.00 0.00 H +ATOM 3245 HE2 LYS A 220 18.406 8.689 -1.608 1.00 0.00 H +ATOM 3246 HZ1 LYS A 220 18.481 8.563 -4.517 1.00 0.00 H +ATOM 3247 HZ2 LYS A 220 17.117 8.797 -3.611 1.00 0.00 H +ATOM 3248 HZ3 LYS A 220 18.315 9.932 -3.627 1.00 0.00 H +ATOM 3249 N ARG A 221 16.046 5.595 2.600 1.00 29.75 N +ATOM 3250 CA ARG A 221 15.026 5.927 3.599 1.00 28.19 C +ATOM 3251 C ARG A 221 15.585 6.268 4.989 1.00 27.11 C +ATOM 3252 O ARG A 221 14.936 7.027 5.708 1.00 26.10 O +ATOM 3253 CB ARG A 221 13.988 4.805 3.731 1.00 30.31 C +ATOM 3254 CG ARG A 221 13.006 4.805 2.564 1.00 30.67 C +ATOM 3255 CD ARG A 221 12.035 3.675 2.804 1.00 34.41 C +ATOM 3256 NE ARG A 221 10.912 3.673 1.875 1.00 31.18 N +ATOM 3257 CZ ARG A 221 10.108 2.616 1.782 1.00 30.15 C +ATOM 3258 NH1 ARG A 221 10.415 1.512 2.464 1.00 26.01 N +ATOM 3259 NH2 ARG A 221 9.018 2.677 1.017 1.00 29.12 N1+ +ATOM 3260 H ARG A 221 16.055 4.644 2.254 1.00 0.00 H +ATOM 3261 HA ARG A 221 14.511 6.822 3.249 1.00 0.00 H +ATOM 3262 HB3 ARG A 221 13.405 4.958 4.641 1.00 0.00 H +ATOM 3263 HB2 ARG A 221 14.473 3.835 3.846 1.00 0.00 H +ATOM 3264 HG3 ARG A 221 13.564 4.610 1.649 1.00 0.00 H +ATOM 3265 HG2 ARG A 221 12.488 5.755 2.426 1.00 0.00 H +ATOM 3266 HD3 ARG A 221 11.712 3.583 3.843 1.00 0.00 H +ATOM 3267 HD2 ARG A 221 12.593 2.766 2.574 1.00 0.00 H +ATOM 3268 HE ARG A 221 10.665 4.525 1.373 1.00 0.00 H +ATOM 3269 HH12 ARG A 221 9.853 0.663 2.393 1.00 0.00 H +ATOM 3270 HH11 ARG A 221 11.184 1.476 3.121 1.00 0.00 H +ATOM 3271 HH22 ARG A 221 8.355 1.915 0.990 1.00 0.00 H +ATOM 3272 HH21 ARG A 221 8.812 3.546 0.533 1.00 0.00 H +ATOM 3273 N THR A 222 16.767 5.736 5.340 1.00 25.90 N +ATOM 3274 CA THR A 222 17.461 6.073 6.585 1.00 26.98 C +ATOM 3275 C THR A 222 18.001 7.518 6.572 1.00 24.38 C +ATOM 3276 O THR A 222 17.897 8.203 7.589 1.00 25.97 O +ATOM 3277 CB THR A 222 18.635 5.101 6.872 1.00 27.34 C +ATOM 3278 CG2 THR A 222 19.391 5.360 8.189 1.00 29.13 C +ATOM 3279 OG1 THR A 222 18.136 3.778 6.913 1.00 28.70 O +ATOM 3280 H THR A 222 17.251 5.121 4.700 1.00 0.00 H +ATOM 3281 HA THR A 222 16.744 5.992 7.405 1.00 0.00 H +ATOM 3282 HB THR A 222 19.358 5.146 6.059 1.00 0.00 H +ATOM 3283 HG21 THR A 222 20.139 4.586 8.366 1.00 0.00 H +ATOM 3284 HG22 THR A 222 19.919 6.313 8.178 1.00 0.00 H +ATOM 3285 HG23 THR A 222 18.711 5.362 9.041 1.00 0.00 H +ATOM 3286 HG1 THR A 222 17.799 3.547 6.043 1.00 0.00 H +ATOM 3287 N THR A 223 18.505 7.974 5.411 1.00 26.05 N +ATOM 3288 CA THR A 223 18.928 9.361 5.195 1.00 28.52 C +ATOM 3289 C THR A 223 17.732 10.336 5.099 1.00 27.17 C +ATOM 3290 O THR A 223 17.868 11.477 5.535 1.00 27.18 O +ATOM 3291 CB THR A 223 19.835 9.517 3.940 1.00 30.32 C +ATOM 3292 CG2 THR A 223 20.954 8.469 3.840 1.00 30.64 C +ATOM 3293 OG1 THR A 223 19.135 9.575 2.713 1.00 39.33 O +ATOM 3294 H THR A 223 18.553 7.360 4.610 1.00 0.00 H +ATOM 3295 HA THR A 223 19.521 9.662 6.061 1.00 0.00 H +ATOM 3296 HB THR A 223 20.327 10.487 4.031 1.00 0.00 H +ATOM 3297 HG21 THR A 223 21.625 8.693 3.010 1.00 0.00 H +ATOM 3298 HG22 THR A 223 21.553 8.448 4.751 1.00 0.00 H +ATOM 3299 HG23 THR A 223 20.558 7.468 3.677 1.00 0.00 H +ATOM 3300 HG1 THR A 223 18.604 8.778 2.617 1.00 0.00 H +ATOM 3301 N ALA A 224 16.576 9.863 4.598 1.00 25.91 N +ATOM 3302 CA ALA A 224 15.320 10.614 4.576 1.00 24.46 C +ATOM 3303 C ALA A 224 14.738 10.815 5.985 1.00 23.90 C +ATOM 3304 O ALA A 224 14.259 11.907 6.277 1.00 20.38 O +ATOM 3305 CB ALA A 224 14.315 9.913 3.652 1.00 24.41 C +ATOM 3306 H ALA A 224 16.539 8.919 4.237 1.00 0.00 H +ATOM 3307 HA ALA A 224 15.523 11.603 4.162 1.00 0.00 H +ATOM 3308 HB1 ALA A 224 13.420 10.519 3.518 1.00 0.00 H +ATOM 3309 HB2 ALA A 224 14.738 9.742 2.662 1.00 0.00 H +ATOM 3310 HB3 ALA A 224 14.000 8.951 4.052 1.00 0.00 H +ATOM 3311 N ALA A 225 14.846 9.789 6.847 1.00 24.13 N +ATOM 3312 CA ALA A 225 14.482 9.849 8.264 1.00 25.95 C +ATOM 3313 C ALA A 225 15.357 10.803 9.090 1.00 25.57 C +ATOM 3314 O ALA A 225 14.841 11.428 10.015 1.00 26.74 O +ATOM 3315 CB ALA A 225 14.501 8.435 8.858 1.00 23.02 C +ATOM 3316 H ALA A 225 15.236 8.913 6.526 1.00 0.00 H +ATOM 3317 HA ALA A 225 13.466 10.233 8.335 1.00 0.00 H +ATOM 3318 HB1 ALA A 225 14.326 8.451 9.934 1.00 0.00 H +ATOM 3319 HB2 ALA A 225 13.719 7.823 8.413 1.00 0.00 H +ATOM 3320 HB3 ALA A 225 15.453 7.935 8.684 1.00 0.00 H +ATOM 3321 N THR A 226 16.643 10.936 8.725 1.00 25.99 N +ATOM 3322 CA THR A 226 17.567 11.888 9.347 1.00 26.54 C +ATOM 3323 C THR A 226 17.189 13.352 9.036 1.00 25.91 C +ATOM 3324 O THR A 226 17.213 14.184 9.943 1.00 26.81 O +ATOM 3325 CB THR A 226 19.029 11.650 8.877 1.00 27.83 C +ATOM 3326 CG2 THR A 226 20.078 12.615 9.463 1.00 30.31 C +ATOM 3327 OG1 THR A 226 19.423 10.335 9.217 1.00 29.02 O +ATOM 3328 H THR A 226 17.000 10.396 7.950 1.00 0.00 H +ATOM 3329 HA THR A 226 17.523 11.748 10.429 1.00 0.00 H +ATOM 3330 HB THR A 226 19.080 11.721 7.791 1.00 0.00 H +ATOM 3331 HG21 THR A 226 21.086 12.315 9.175 1.00 0.00 H +ATOM 3332 HG22 THR A 226 19.939 13.636 9.107 1.00 0.00 H +ATOM 3333 HG23 THR A 226 20.036 12.629 10.553 1.00 0.00 H +ATOM 3334 HG1 THR A 226 18.845 9.713 8.768 1.00 0.00 H +ATOM 3335 N LEU A 227 16.831 13.626 7.770 1.00 26.53 N +ATOM 3336 CA LEU A 227 16.545 14.967 7.264 1.00 26.89 C +ATOM 3337 C LEU A 227 15.133 15.474 7.605 1.00 26.84 C +ATOM 3338 O LEU A 227 14.981 16.674 7.832 1.00 27.26 O +ATOM 3339 CB LEU A 227 16.767 14.981 5.735 1.00 28.85 C +ATOM 3340 CG LEU A 227 18.245 14.815 5.310 1.00 34.29 C +ATOM 3341 CD1 LEU A 227 18.357 14.533 3.798 1.00 36.73 C +ATOM 3342 CD2 LEU A 227 19.115 16.012 5.752 1.00 33.59 C +ATOM 3343 H LEU A 227 16.822 12.882 7.085 1.00 0.00 H +ATOM 3344 HA LEU A 227 17.246 15.663 7.727 1.00 0.00 H +ATOM 3345 HB3 LEU A 227 16.385 15.910 5.307 1.00 0.00 H +ATOM 3346 HB2 LEU A 227 16.169 14.183 5.289 1.00 0.00 H +ATOM 3347 HG LEU A 227 18.647 13.938 5.815 1.00 0.00 H +ATOM 3348 HD11 LEU A 227 19.092 15.162 3.297 1.00 0.00 H +ATOM 3349 HD12 LEU A 227 18.659 13.500 3.626 1.00 0.00 H +ATOM 3350 HD13 LEU A 227 17.407 14.690 3.288 1.00 0.00 H +ATOM 3351 HD21 LEU A 227 19.720 16.424 4.945 1.00 0.00 H +ATOM 3352 HD22 LEU A 227 18.515 16.834 6.141 1.00 0.00 H +ATOM 3353 HD23 LEU A 227 19.804 15.711 6.542 1.00 0.00 H +ATOM 3354 N MET A 228 14.136 14.575 7.614 1.00 25.26 N +ATOM 3355 CA MET A 228 12.716 14.913 7.723 1.00 24.70 C +ATOM 3356 C MET A 228 12.107 14.249 8.966 1.00 23.35 C +ATOM 3357 O MET A 228 12.321 13.057 9.192 1.00 20.92 O +ATOM 3358 CB MET A 228 12.014 14.478 6.422 1.00 24.08 C +ATOM 3359 CG MET A 228 12.368 15.381 5.225 1.00 24.87 C +ATOM 3360 SD MET A 228 11.843 14.774 3.600 1.00 24.76 S +ATOM 3361 CE MET A 228 13.177 13.604 3.240 1.00 26.75 C +ATOM 3362 H MET A 228 14.341 13.602 7.427 1.00 0.00 H +ATOM 3363 HA MET A 228 12.583 15.991 7.829 1.00 0.00 H +ATOM 3364 HB3 MET A 228 10.936 14.495 6.566 1.00 0.00 H +ATOM 3365 HB2 MET A 228 12.255 13.442 6.191 1.00 0.00 H +ATOM 3366 HG3 MET A 228 13.442 15.555 5.176 1.00 0.00 H +ATOM 3367 HG2 MET A 228 11.912 16.360 5.375 1.00 0.00 H +ATOM 3368 HE1 MET A 228 13.016 13.136 2.269 1.00 0.00 H +ATOM 3369 HE2 MET A 228 14.143 14.110 3.226 1.00 0.00 H +ATOM 3370 HE3 MET A 228 13.203 12.825 3.999 1.00 0.00 H +ATOM 3371 N ASN A 229 11.377 15.054 9.757 1.00 23.78 N +ATOM 3372 CA ASN A 229 10.829 14.687 11.068 1.00 26.25 C +ATOM 3373 C ASN A 229 9.676 13.688 10.941 1.00 24.54 C +ATOM 3374 O ASN A 229 8.695 13.984 10.259 1.00 24.23 O +ATOM 3375 CB ASN A 229 10.336 15.948 11.819 1.00 28.76 C +ATOM 3376 CG ASN A 229 11.399 17.001 12.161 1.00 36.20 C +ATOM 3377 ND2 ASN A 229 12.692 16.671 12.085 1.00 36.12 N +ATOM 3378 OD1 ASN A 229 11.041 18.124 12.504 1.00 39.05 O +ATOM 3379 H ASN A 229 11.236 16.018 9.478 1.00 0.00 H +ATOM 3380 HA ASN A 229 11.634 14.223 11.643 1.00 0.00 H +ATOM 3381 HB3 ASN A 229 9.876 15.652 12.763 1.00 0.00 H +ATOM 3382 HB2 ASN A 229 9.552 16.440 11.240 1.00 0.00 H +ATOM 3383 HD22 ASN A 229 13.403 17.358 12.293 1.00 0.00 H +ATOM 3384 HD21 ASN A 229 12.981 15.744 11.804 1.00 0.00 H +ATOM 3385 N ALA A 230 9.825 12.533 11.615 1.00 23.31 N +ATOM 3386 CA ALA A 230 8.902 11.393 11.611 1.00 22.45 C +ATOM 3387 C ALA A 230 8.546 10.935 10.183 1.00 22.19 C +ATOM 3388 O ALA A 230 7.368 10.755 9.875 1.00 21.45 O +ATOM 3389 CB ALA A 230 7.672 11.707 12.485 1.00 23.18 C +ATOM 3390 H ALA A 230 10.675 12.387 12.139 1.00 0.00 H +ATOM 3391 HA ALA A 230 9.435 10.561 12.074 1.00 0.00 H +ATOM 3392 HB1 ALA A 230 7.013 10.844 12.570 1.00 0.00 H +ATOM 3393 HB2 ALA A 230 7.975 11.978 13.497 1.00 0.00 H +ATOM 3394 HB3 ALA A 230 7.088 12.535 12.087 1.00 0.00 H +ATOM 3395 N TYR A 231 9.582 10.815 9.330 1.00 20.58 N +ATOM 3396 CA TYR A 231 9.465 10.545 7.897 1.00 23.09 C +ATOM 3397 C TYR A 231 8.659 9.279 7.592 1.00 23.15 C +ATOM 3398 O TYR A 231 7.722 9.362 6.807 1.00 21.50 O +ATOM 3399 CB TYR A 231 10.857 10.491 7.235 1.00 21.56 C +ATOM 3400 CG TYR A 231 10.823 10.291 5.730 1.00 22.51 C +ATOM 3401 CD1 TYR A 231 11.006 9.009 5.171 1.00 22.41 C +ATOM 3402 CD2 TYR A 231 10.558 11.389 4.886 1.00 22.80 C +ATOM 3403 CE1 TYR A 231 10.900 8.824 3.779 1.00 26.33 C +ATOM 3404 CE2 TYR A 231 10.468 11.208 3.495 1.00 22.49 C +ATOM 3405 CZ TYR A 231 10.623 9.924 2.944 1.00 23.24 C +ATOM 3406 OH TYR A 231 10.495 9.755 1.599 1.00 25.69 O +ATOM 3407 H TYR A 231 10.517 10.994 9.671 1.00 0.00 H +ATOM 3408 HA TYR A 231 8.925 11.389 7.466 1.00 0.00 H +ATOM 3409 HB3 TYR A 231 11.438 9.682 7.678 1.00 0.00 H +ATOM 3410 HB2 TYR A 231 11.403 11.411 7.436 1.00 0.00 H +ATOM 3411 HD1 TYR A 231 11.200 8.159 5.809 1.00 0.00 H +ATOM 3412 HD2 TYR A 231 10.402 12.372 5.305 1.00 0.00 H +ATOM 3413 HE1 TYR A 231 11.028 7.837 3.360 1.00 0.00 H +ATOM 3414 HE2 TYR A 231 10.265 12.052 2.853 1.00 0.00 H +ATOM 3415 HH TYR A 231 10.446 8.824 1.341 1.00 0.00 H +ATOM 3416 N SER A 232 9.013 8.163 8.247 1.00 22.12 N +ATOM 3417 CA SER A 232 8.382 6.855 8.075 1.00 21.84 C +ATOM 3418 C SER A 232 6.862 6.814 8.313 1.00 21.72 C +ATOM 3419 O SER A 232 6.188 6.072 7.603 1.00 22.45 O +ATOM 3420 CB SER A 232 9.142 5.807 8.914 1.00 21.64 C +ATOM 3421 OG SER A 232 9.048 6.066 10.303 1.00 26.16 O +ATOM 3422 H SER A 232 9.789 8.196 8.896 1.00 0.00 H +ATOM 3423 HA SER A 232 8.517 6.601 7.024 1.00 0.00 H +ATOM 3424 HB3 SER A 232 10.194 5.783 8.630 1.00 0.00 H +ATOM 3425 HB2 SER A 232 8.748 4.808 8.721 1.00 0.00 H +ATOM 3426 HG SER A 232 9.647 6.790 10.514 1.00 0.00 H +ATOM 3427 N SER A 233 6.353 7.619 9.262 1.00 20.41 N +ATOM 3428 CA SER A 233 4.931 7.678 9.596 1.00 20.63 C +ATOM 3429 C SER A 233 4.143 8.722 8.784 1.00 19.00 C +ATOM 3430 O SER A 233 2.942 8.530 8.612 1.00 19.49 O +ATOM 3431 CB SER A 233 4.775 7.885 11.115 1.00 24.24 C +ATOM 3432 OG SER A 233 5.128 9.186 11.536 1.00 29.04 O +ATOM 3433 H SER A 233 6.963 8.220 9.797 1.00 0.00 H +ATOM 3434 HA SER A 233 4.492 6.706 9.372 1.00 0.00 H +ATOM 3435 HB3 SER A 233 5.369 7.160 11.671 1.00 0.00 H +ATOM 3436 HB2 SER A 233 3.737 7.719 11.403 1.00 0.00 H +ATOM 3437 HG SER A 233 5.228 9.174 12.495 1.00 0.00 H +ATOM 3438 N ARG A 234 4.796 9.803 8.327 1.00 18.33 N +ATOM 3439 CA ARG A 234 4.131 10.936 7.674 1.00 22.18 C +ATOM 3440 C ARG A 234 4.235 10.916 6.146 1.00 22.21 C +ATOM 3441 O ARG A 234 3.409 11.565 5.505 1.00 20.94 O +ATOM 3442 CB ARG A 234 4.709 12.254 8.210 1.00 23.89 C +ATOM 3443 CG ARG A 234 4.445 12.482 9.704 1.00 25.44 C +ATOM 3444 CD ARG A 234 5.116 13.767 10.187 1.00 31.15 C +ATOM 3445 NE ARG A 234 4.758 14.083 11.573 1.00 38.50 N +ATOM 3446 CZ ARG A 234 5.414 14.945 12.368 1.00 41.33 C +ATOM 3447 NH1 ARG A 234 6.503 15.600 11.941 1.00 40.07 N +ATOM 3448 NH2 ARG A 234 4.968 15.152 13.613 1.00 42.46 N1+ +ATOM 3449 H ARG A 234 5.786 9.902 8.511 1.00 0.00 H +ATOM 3450 HA ARG A 234 3.067 10.929 7.915 1.00 0.00 H +ATOM 3451 HB3 ARG A 234 4.278 13.093 7.660 1.00 0.00 H +ATOM 3452 HB2 ARG A 234 5.781 12.278 8.018 1.00 0.00 H +ATOM 3453 HG3 ARG A 234 4.893 11.651 10.248 1.00 0.00 H +ATOM 3454 HG2 ARG A 234 3.382 12.469 9.950 1.00 0.00 H +ATOM 3455 HD3 ARG A 234 4.976 14.601 9.502 1.00 0.00 H +ATOM 3456 HD2 ARG A 234 6.184 13.561 10.209 1.00 0.00 H +ATOM 3457 HE ARG A 234 3.928 13.625 11.926 1.00 0.00 H +ATOM 3458 HH12 ARG A 234 6.984 16.254 12.540 1.00 0.00 H +ATOM 3459 HH11 ARG A 234 6.841 15.447 11.000 1.00 0.00 H +ATOM 3460 HH22 ARG A 234 5.445 15.796 14.227 1.00 0.00 H +ATOM 3461 HH21 ARG A 234 4.153 14.660 13.949 1.00 0.00 H +ATOM 3462 N SER A 235 5.219 10.199 5.583 1.00 19.99 N +ATOM 3463 CA SER A 235 5.380 10.054 4.140 1.00 19.86 C +ATOM 3464 C SER A 235 4.370 9.055 3.551 1.00 19.77 C +ATOM 3465 O SER A 235 3.960 8.111 4.225 1.00 20.24 O +ATOM 3466 CB SER A 235 6.831 9.642 3.812 1.00 21.58 C +ATOM 3467 OG SER A 235 7.077 8.311 4.215 1.00 21.88 O +ATOM 3468 H SER A 235 5.876 9.683 6.154 1.00 0.00 H +ATOM 3469 HA SER A 235 5.207 11.036 3.703 1.00 0.00 H +ATOM 3470 HB3 SER A 235 7.548 10.311 4.291 1.00 0.00 H +ATOM 3471 HB2 SER A 235 7.009 9.712 2.738 1.00 0.00 H +ATOM 3472 HG SER A 235 7.851 7.964 3.759 1.00 0.00 H +ATOM 3473 N HIS A 236 4.066 9.260 2.266 1.00 18.17 N +ATOM 3474 CA HIS A 236 3.460 8.269 1.383 1.00 19.29 C +ATOM 3475 C HIS A 236 4.575 7.739 0.477 1.00 18.44 C +ATOM 3476 O HIS A 236 5.459 8.511 0.114 1.00 20.59 O +ATOM 3477 CB HIS A 236 2.362 8.939 0.534 1.00 18.44 C +ATOM 3478 CG HIS A 236 1.342 9.714 1.328 1.00 20.86 C +ATOM 3479 CD2 HIS A 236 1.354 11.048 1.685 1.00 19.38 C +ATOM 3480 ND1 HIS A 236 0.189 9.119 1.845 1.00 20.53 N +ATOM 3481 CE1 HIS A 236 -0.449 10.098 2.469 1.00 18.42 C +ATOM 3482 NE2 HIS A 236 0.205 11.258 2.425 1.00 19.60 N +ATOM 3483 H HIS A 236 4.451 10.072 1.801 1.00 0.00 H +ATOM 3484 HA HIS A 236 3.022 7.453 1.960 1.00 0.00 H +ATOM 3485 HB3 HIS A 236 1.834 8.180 -0.044 1.00 0.00 H +ATOM 3486 HB2 HIS A 236 2.802 9.618 -0.196 1.00 0.00 H +ATOM 3487 HD2 HIS A 236 2.071 11.832 1.488 1.00 0.00 H +ATOM 3488 HE1 HIS A 236 -1.392 9.957 2.973 1.00 0.00 H +ATOM 3489 HE2 HIS A 236 -0.086 12.128 2.848 1.00 0.00 H +ATOM 3490 N SER A 237 4.507 6.458 0.102 1.00 20.58 N +ATOM 3491 CA SER A 237 5.426 5.845 -0.853 1.00 21.26 C +ATOM 3492 C SER A 237 4.634 5.065 -1.901 1.00 21.57 C +ATOM 3493 O SER A 237 3.628 4.444 -1.568 1.00 20.33 O +ATOM 3494 CB SER A 237 6.476 4.994 -0.112 1.00 24.54 C +ATOM 3495 OG SER A 237 5.955 3.806 0.434 1.00 26.90 O +ATOM 3496 H SER A 237 3.775 5.858 0.463 1.00 0.00 H +ATOM 3497 HA SER A 237 5.961 6.627 -1.389 1.00 0.00 H +ATOM 3498 HB3 SER A 237 6.953 5.572 0.680 1.00 0.00 H +ATOM 3499 HB2 SER A 237 7.257 4.700 -0.812 1.00 0.00 H +ATOM 3500 HG SER A 237 5.793 3.177 -0.279 1.00 0.00 H +ATOM 3501 N VAL A 238 5.115 5.128 -3.147 1.00 22.05 N +ATOM 3502 CA VAL A 238 4.548 4.458 -4.306 1.00 22.38 C +ATOM 3503 C VAL A 238 5.704 3.697 -4.971 1.00 23.09 C +ATOM 3504 O VAL A 238 6.482 4.293 -5.718 1.00 25.68 O +ATOM 3505 CB VAL A 238 3.937 5.475 -5.322 1.00 21.69 C +ATOM 3506 CG1 VAL A 238 3.380 4.803 -6.597 1.00 20.82 C +ATOM 3507 CG2 VAL A 238 2.846 6.352 -4.678 1.00 20.75 C +ATOM 3508 H VAL A 238 5.934 5.694 -3.333 1.00 0.00 H +ATOM 3509 HA VAL A 238 3.779 3.741 -4.013 1.00 0.00 H +ATOM 3510 HB VAL A 238 4.719 6.165 -5.643 1.00 0.00 H +ATOM 3511 HG11 VAL A 238 2.892 5.532 -7.246 1.00 0.00 H +ATOM 3512 HG12 VAL A 238 4.160 4.328 -7.192 1.00 0.00 H +ATOM 3513 HG13 VAL A 238 2.643 4.038 -6.353 1.00 0.00 H +ATOM 3514 HG21 VAL A 238 2.392 7.021 -5.410 1.00 0.00 H +ATOM 3515 HG22 VAL A 238 2.051 5.747 -4.245 1.00 0.00 H +ATOM 3516 HG23 VAL A 238 3.254 6.979 -3.885 1.00 0.00 H +ATOM 3517 N PHE A 239 5.802 2.394 -4.669 1.00 25.74 N +ATOM 3518 CA PHE A 239 6.721 1.482 -5.341 1.00 25.50 C +ATOM 3519 C PHE A 239 5.982 0.942 -6.569 1.00 27.21 C +ATOM 3520 O PHE A 239 5.105 0.094 -6.414 1.00 25.60 O +ATOM 3521 CB PHE A 239 7.155 0.356 -4.374 1.00 24.56 C +ATOM 3522 CG PHE A 239 8.273 -0.519 -4.923 1.00 23.56 C +ATOM 3523 CD1 PHE A 239 7.980 -1.563 -5.826 1.00 24.94 C +ATOM 3524 CD2 PHE A 239 9.623 -0.167 -4.706 1.00 23.03 C +ATOM 3525 CE1 PHE A 239 9.008 -2.249 -6.452 1.00 25.28 C +ATOM 3526 CE2 PHE A 239 10.639 -0.887 -5.320 1.00 24.84 C +ATOM 3527 CZ PHE A 239 10.333 -1.930 -6.183 1.00 24.20 C +ATOM 3528 H PHE A 239 5.144 1.972 -4.026 1.00 0.00 H +ATOM 3529 HA PHE A 239 7.616 2.018 -5.654 1.00 0.00 H +ATOM 3530 HB3 PHE A 239 6.306 -0.279 -4.122 1.00 0.00 H +ATOM 3531 HB2 PHE A 239 7.484 0.783 -3.426 1.00 0.00 H +ATOM 3532 HD1 PHE A 239 6.954 -1.811 -6.059 1.00 0.00 H +ATOM 3533 HD2 PHE A 239 9.874 0.662 -4.061 1.00 0.00 H +ATOM 3534 HE1 PHE A 239 8.764 -3.017 -7.169 1.00 0.00 H +ATOM 3535 HE2 PHE A 239 11.672 -0.623 -5.142 1.00 0.00 H +ATOM 3536 HZ PHE A 239 11.129 -2.475 -6.667 1.00 0.00 H +ATOM 3537 N SER A 240 6.335 1.448 -7.759 1.00 28.35 N +ATOM 3538 CA SER A 240 5.787 0.951 -9.014 1.00 31.42 C +ATOM 3539 C SER A 240 6.757 -0.048 -9.655 1.00 32.07 C +ATOM 3540 O SER A 240 7.969 0.150 -9.587 1.00 32.25 O +ATOM 3541 CB SER A 240 5.391 2.125 -9.933 1.00 34.03 C +ATOM 3542 OG SER A 240 6.429 2.627 -10.748 1.00 40.12 O +ATOM 3543 H SER A 240 7.090 2.119 -7.823 1.00 0.00 H +ATOM 3544 HA SER A 240 4.859 0.432 -8.799 1.00 0.00 H +ATOM 3545 HB3 SER A 240 4.952 2.941 -9.358 1.00 0.00 H +ATOM 3546 HB2 SER A 240 4.613 1.769 -10.606 1.00 0.00 H +ATOM 3547 HG SER A 240 7.038 3.139 -10.204 1.00 0.00 H +ATOM 3548 N VAL A 241 6.184 -1.080 -10.287 1.00 33.55 N +ATOM 3549 CA VAL A 241 6.882 -2.025 -11.148 1.00 34.45 C +ATOM 3550 C VAL A 241 6.144 -2.072 -12.493 1.00 34.62 C +ATOM 3551 O VAL A 241 4.937 -2.303 -12.508 1.00 35.51 O +ATOM 3552 CB VAL A 241 6.992 -3.449 -10.520 1.00 34.83 C +ATOM 3553 CG1 VAL A 241 5.660 -4.089 -10.092 1.00 38.79 C +ATOM 3554 CG2 VAL A 241 7.755 -4.432 -11.427 1.00 35.64 C +ATOM 3555 H VAL A 241 5.177 -1.179 -10.259 1.00 0.00 H +ATOM 3556 HA VAL A 241 7.892 -1.660 -11.324 1.00 0.00 H +ATOM 3557 HB VAL A 241 7.580 -3.338 -9.608 1.00 0.00 H +ATOM 3558 HG11 VAL A 241 5.835 -5.011 -9.538 1.00 0.00 H +ATOM 3559 HG12 VAL A 241 5.090 -3.428 -9.440 1.00 0.00 H +ATOM 3560 HG13 VAL A 241 5.047 -4.349 -10.954 1.00 0.00 H +ATOM 3561 HG21 VAL A 241 7.848 -5.411 -10.962 1.00 0.00 H +ATOM 3562 HG22 VAL A 241 7.258 -4.590 -12.385 1.00 0.00 H +ATOM 3563 HG23 VAL A 241 8.759 -4.062 -11.628 1.00 0.00 H +ATOM 3564 N THR A 242 6.887 -1.842 -13.586 1.00 35.79 N +ATOM 3565 CA THR A 242 6.394 -1.916 -14.959 1.00 37.70 C +ATOM 3566 C THR A 242 7.097 -3.083 -15.662 1.00 37.87 C +ATOM 3567 O THR A 242 8.321 -3.188 -15.573 1.00 37.49 O +ATOM 3568 CB THR A 242 6.697 -0.623 -15.762 1.00 37.97 C +ATOM 3569 CG2 THR A 242 6.199 -0.632 -17.222 1.00 37.97 C +ATOM 3570 OG1 THR A 242 6.087 0.475 -15.113 1.00 39.56 O +ATOM 3571 H THR A 242 7.878 -1.667 -13.481 1.00 0.00 H +ATOM 3572 HA THR A 242 5.320 -2.085 -14.967 1.00 0.00 H +ATOM 3573 HB THR A 242 7.771 -0.433 -15.760 1.00 0.00 H +ATOM 3574 HG21 THR A 242 6.374 0.333 -17.699 1.00 0.00 H +ATOM 3575 HG22 THR A 242 6.709 -1.381 -17.827 1.00 0.00 H +ATOM 3576 HG23 THR A 242 5.129 -0.834 -17.274 1.00 0.00 H +ATOM 3577 HG1 THR A 242 6.562 0.638 -14.291 1.00 0.00 H +ATOM 3578 N ILE A 243 6.311 -3.929 -16.342 1.00 39.49 N +ATOM 3579 CA ILE A 243 6.799 -5.120 -17.025 1.00 41.33 C +ATOM 3580 C ILE A 243 6.433 -4.982 -18.513 1.00 42.69 C +ATOM 3581 O ILE A 243 5.260 -5.083 -18.871 1.00 41.59 O +ATOM 3582 CB ILE A 243 6.157 -6.433 -16.482 1.00 42.17 C +ATOM 3583 CG1 ILE A 243 6.112 -6.503 -14.937 1.00 40.50 C +ATOM 3584 CG2 ILE A 243 6.883 -7.680 -17.036 1.00 40.47 C +ATOM 3585 CD1 ILE A 243 5.241 -7.654 -14.424 1.00 41.65 C +ATOM 3586 H ILE A 243 5.314 -3.757 -16.394 1.00 0.00 H +ATOM 3587 HA ILE A 243 7.881 -5.209 -16.929 1.00 0.00 H +ATOM 3588 HB ILE A 243 5.121 -6.481 -16.819 1.00 0.00 H +ATOM 3589 HG13 ILE A 243 5.705 -5.585 -14.515 1.00 0.00 H +ATOM 3590 HG12 ILE A 243 7.123 -6.594 -14.538 1.00 0.00 H +ATOM 3591 HG21 ILE A 243 6.325 -8.589 -16.818 1.00 0.00 H +ATOM 3592 HG22 ILE A 243 7.026 -7.640 -18.113 1.00 0.00 H +ATOM 3593 HG23 ILE A 243 7.874 -7.787 -16.597 1.00 0.00 H +ATOM 3594 HD11 ILE A 243 4.919 -7.478 -13.398 1.00 0.00 H +ATOM 3595 HD12 ILE A 243 4.345 -7.767 -15.033 1.00 0.00 H +ATOM 3596 HD13 ILE A 243 5.784 -8.598 -14.452 1.00 0.00 H +ATOM 3597 N HIS A 244 7.452 -4.764 -19.353 1.00 44.46 N +ATOM 3598 CA HIS A 244 7.343 -4.845 -20.808 1.00 47.53 C +ATOM 3599 C HIS A 244 7.528 -6.306 -21.214 1.00 47.71 C +ATOM 3600 O HIS A 244 8.489 -6.921 -20.765 1.00 47.71 O +ATOM 3601 CB HIS A 244 8.416 -3.956 -21.457 1.00 49.46 C +ATOM 3602 CG HIS A 244 8.234 -2.495 -21.150 1.00 52.62 C +ATOM 3603 CD2 HIS A 244 8.884 -1.722 -20.211 1.00 52.34 C +ATOM 3604 ND1 HIS A 244 7.281 -1.710 -21.805 1.00 53.91 N +ATOM 3605 CE1 HIS A 244 7.376 -0.516 -21.239 1.00 52.76 C +ATOM 3606 NE2 HIS A 244 8.307 -0.466 -20.287 1.00 53.06 N +ATOM 3607 H HIS A 244 8.393 -4.719 -18.983 1.00 0.00 H +ATOM 3608 HA HIS A 244 6.359 -4.498 -21.134 1.00 0.00 H +ATOM 3609 HB3 HIS A 244 8.397 -4.078 -22.542 1.00 0.00 H +ATOM 3610 HB2 HIS A 244 9.413 -4.260 -21.131 1.00 0.00 H +ATOM 3611 HD2 HIS A 244 9.665 -1.966 -19.507 1.00 0.00 H +ATOM 3612 HE1 HIS A 244 6.759 0.325 -21.516 1.00 0.00 H +ATOM 3613 HE2 HIS A 244 8.530 0.335 -19.718 1.00 0.00 H +ATOM 3614 N MET A 245 6.591 -6.836 -22.009 1.00 48.94 N +ATOM 3615 CA MET A 245 6.531 -8.240 -22.404 1.00 49.37 C +ATOM 3616 C MET A 245 6.341 -8.323 -23.917 1.00 51.21 C +ATOM 3617 O MET A 245 5.536 -7.579 -24.473 1.00 50.79 O +ATOM 3618 CB MET A 245 5.345 -8.929 -21.698 1.00 47.53 C +ATOM 3619 CG MET A 245 5.444 -8.936 -20.168 1.00 47.54 C +ATOM 3620 SD MET A 245 3.927 -9.435 -19.319 1.00 44.84 S +ATOM 3621 CE MET A 245 3.084 -7.829 -19.268 1.00 45.83 C +ATOM 3622 H MET A 245 5.817 -6.263 -22.323 1.00 0.00 H +ATOM 3623 HA MET A 245 7.453 -8.760 -22.137 1.00 0.00 H +ATOM 3624 HB3 MET A 245 5.268 -9.962 -22.042 1.00 0.00 H +ATOM 3625 HB2 MET A 245 4.414 -8.448 -21.993 1.00 0.00 H +ATOM 3626 HG3 MET A 245 5.687 -7.942 -19.803 1.00 0.00 H +ATOM 3627 HG2 MET A 245 6.257 -9.590 -19.862 1.00 0.00 H +ATOM 3628 HE1 MET A 245 2.069 -7.928 -18.888 1.00 0.00 H +ATOM 3629 HE2 MET A 245 3.621 -7.148 -18.611 1.00 0.00 H +ATOM 3630 HE3 MET A 245 3.036 -7.385 -20.260 1.00 0.00 H +ATOM 3631 N LYS A 246 7.057 -9.267 -24.531 1.00 52.65 N +ATOM 3632 CA LYS A 246 6.943 -9.660 -25.925 1.00 54.10 C +ATOM 3633 C LYS A 246 6.781 -11.183 -25.903 1.00 54.52 C +ATOM 3634 O LYS A 246 7.745 -11.923 -26.102 1.00 54.51 O +ATOM 3635 CB LYS A 246 8.176 -9.151 -26.698 1.00 54.81 C +ATOM 3636 CG LYS A 246 8.094 -9.373 -28.217 1.00 57.30 C +ATOM 3637 CD LYS A 246 9.369 -8.903 -28.936 1.00 58.78 C +ATOM 3638 CE LYS A 246 9.218 -8.801 -30.459 1.00 60.80 C +ATOM 3639 NZ LYS A 246 8.300 -7.714 -30.839 1.00 61.59 N1+ +ATOM 3640 H LYS A 246 7.741 -9.789 -23.997 1.00 0.00 H +ATOM 3641 HA LYS A 246 6.046 -9.232 -26.377 1.00 0.00 H +ATOM 3642 HB3 LYS A 246 9.086 -9.605 -26.307 1.00 0.00 H +ATOM 3643 HB2 LYS A 246 8.282 -8.080 -26.519 1.00 0.00 H +ATOM 3644 HG3 LYS A 246 7.221 -8.846 -28.602 1.00 0.00 H +ATOM 3645 HG2 LYS A 246 7.931 -10.429 -28.439 1.00 0.00 H +ATOM 3646 HD3 LYS A 246 10.160 -9.621 -28.721 1.00 0.00 H +ATOM 3647 HD2 LYS A 246 9.708 -7.950 -28.529 1.00 0.00 H +ATOM 3648 HE3 LYS A 246 8.857 -9.745 -30.870 1.00 0.00 H +ATOM 3649 HE2 LYS A 246 10.191 -8.606 -30.912 1.00 0.00 H +ATOM 3650 HZ1 LYS A 246 7.391 -7.889 -30.438 1.00 0.00 H +ATOM 3651 HZ2 LYS A 246 8.659 -6.835 -30.494 1.00 0.00 H +ATOM 3652 HZ3 LYS A 246 8.223 -7.678 -31.845 1.00 0.00 H +ATOM 3653 N GLU A 247 5.553 -11.605 -25.568 1.00 55.12 N +ATOM 3654 CA GLU A 247 5.140 -12.997 -25.450 1.00 56.95 C +ATOM 3655 C GLU A 247 5.150 -13.689 -26.813 1.00 58.47 C +ATOM 3656 O GLU A 247 4.524 -13.180 -27.735 1.00 58.51 O +ATOM 3657 CB GLU A 247 3.744 -13.042 -24.800 1.00 56.93 C +ATOM 3658 CG GLU A 247 3.155 -14.459 -24.642 1.00 58.97 C +ATOM 3659 CD GLU A 247 1.813 -14.420 -23.918 1.00 60.88 C +ATOM 3660 OE1 GLU A 247 0.855 -13.885 -24.516 1.00 62.91 O +ATOM 3661 OE2 GLU A 247 1.778 -14.892 -22.760 1.00 61.38 O1- +ATOM 3662 H GLU A 247 4.816 -10.923 -25.449 1.00 0.00 H +ATOM 3663 HA GLU A 247 5.840 -13.506 -24.788 1.00 0.00 H +ATOM 3664 HB3 GLU A 247 3.052 -12.433 -25.385 1.00 0.00 H +ATOM 3665 HB2 GLU A 247 3.800 -12.565 -23.820 1.00 0.00 H +ATOM 3666 HG3 GLU A 247 3.848 -15.097 -24.091 1.00 0.00 H +ATOM 3667 HG2 GLU A 247 2.996 -14.930 -25.611 1.00 0.00 H +ATOM 3668 N THR A 248 5.821 -14.844 -26.884 1.00 59.07 N +ATOM 3669 CA THR A 248 5.852 -15.707 -28.058 1.00 60.38 C +ATOM 3670 C THR A 248 5.155 -17.023 -27.660 1.00 60.78 C +ATOM 3671 O THR A 248 5.794 -17.981 -27.223 1.00 60.10 O +ATOM 3672 CB THR A 248 7.313 -15.934 -28.541 1.00 61.01 C +ATOM 3673 CG2 THR A 248 8.027 -14.623 -28.908 1.00 61.02 C +ATOM 3674 OG1 THR A 248 8.123 -16.601 -27.591 1.00 63.16 O +ATOM 3675 H THR A 248 6.327 -15.186 -26.080 1.00 0.00 H +ATOM 3676 HA THR A 248 5.297 -15.267 -28.888 1.00 0.00 H +ATOM 3677 HB THR A 248 7.283 -16.561 -29.433 1.00 0.00 H +ATOM 3678 HG21 THR A 248 8.226 -14.013 -28.025 1.00 0.00 H +ATOM 3679 HG22 THR A 248 8.983 -14.819 -29.394 1.00 0.00 H +ATOM 3680 HG23 THR A 248 7.428 -14.017 -29.584 1.00 0.00 H +ATOM 3681 HG1 THR A 248 7.698 -17.437 -27.377 1.00 0.00 H +ATOM 3682 N THR A 249 3.817 -17.020 -27.795 1.00 61.35 N +ATOM 3683 CA THR A 249 2.911 -18.141 -27.509 1.00 61.85 C +ATOM 3684 C THR A 249 3.263 -19.403 -28.333 1.00 61.20 C +ATOM 3685 O THR A 249 3.930 -19.275 -29.360 1.00 61.63 O +ATOM 3686 CB THR A 249 1.445 -17.725 -27.830 1.00 62.62 C +ATOM 3687 CG2 THR A 249 0.353 -18.692 -27.343 1.00 63.08 C +ATOM 3688 OG1 THR A 249 1.166 -16.472 -27.237 1.00 63.50 O +ATOM 3689 H THR A 249 3.362 -16.189 -28.148 1.00 0.00 H +ATOM 3690 HA THR A 249 3.000 -18.380 -26.448 1.00 0.00 H +ATOM 3691 HB THR A 249 1.334 -17.593 -28.908 1.00 0.00 H +ATOM 3692 HG21 THR A 249 -0.639 -18.252 -27.452 1.00 0.00 H +ATOM 3693 HG22 THR A 249 0.346 -19.607 -27.929 1.00 0.00 H +ATOM 3694 HG23 THR A 249 0.487 -18.954 -26.293 1.00 0.00 H +ATOM 3695 HG1 THR A 249 0.246 -16.251 -27.402 1.00 0.00 H +ATOM 3696 N ILE A 250 2.834 -20.599 -27.883 1.00 60.81 N +ATOM 3697 CA ILE A 250 3.148 -21.885 -28.533 1.00 60.26 C +ATOM 3698 C ILE A 250 2.684 -21.999 -30.009 1.00 60.18 C +ATOM 3699 O ILE A 250 3.255 -22.792 -30.757 1.00 60.31 O +ATOM 3700 CB ILE A 250 2.609 -23.114 -27.734 1.00 60.33 C +ATOM 3701 CG1 ILE A 250 1.114 -23.496 -27.909 1.00 59.91 C +ATOM 3702 CG2 ILE A 250 3.015 -23.061 -26.248 1.00 59.68 C +ATOM 3703 CD1 ILE A 250 0.095 -22.439 -27.462 1.00 59.13 C +ATOM 3704 H ILE A 250 2.287 -20.651 -27.037 1.00 0.00 H +ATOM 3705 HA ILE A 250 4.237 -21.957 -28.550 1.00 0.00 H +ATOM 3706 HB ILE A 250 3.155 -23.970 -28.135 1.00 0.00 H +ATOM 3707 HG13 ILE A 250 0.923 -24.418 -27.359 1.00 0.00 H +ATOM 3708 HG12 ILE A 250 0.910 -23.756 -28.948 1.00 0.00 H +ATOM 3709 HG21 ILE A 250 2.767 -23.993 -25.740 1.00 0.00 H +ATOM 3710 HG22 ILE A 250 4.090 -22.909 -26.143 1.00 0.00 H +ATOM 3711 HG23 ILE A 250 2.517 -22.254 -25.712 1.00 0.00 H +ATOM 3712 HD11 ILE A 250 -0.844 -22.911 -27.173 1.00 0.00 H +ATOM 3713 HD12 ILE A 250 0.443 -21.854 -26.612 1.00 0.00 H +ATOM 3714 HD13 ILE A 250 -0.131 -21.755 -28.275 1.00 0.00 H +ATOM 3715 N ASP A 251 1.699 -21.173 -30.400 1.00 60.25 N +ATOM 3716 CA ASP A 251 1.178 -21.001 -31.763 1.00 60.38 C +ATOM 3717 C ASP A 251 2.054 -20.102 -32.661 1.00 59.91 C +ATOM 3718 O ASP A 251 1.724 -19.932 -33.834 1.00 60.56 O +ATOM 3719 CB ASP A 251 -0.295 -20.523 -31.757 1.00 60.98 C +ATOM 3720 CG ASP A 251 -1.230 -21.376 -30.890 1.00 62.11 C +ATOM 3721 OD1 ASP A 251 -0.999 -22.605 -30.821 1.00 61.91 O +ATOM 3722 OD2 ASP A 251 -2.201 -20.797 -30.360 1.00 62.45 O1- +ATOM 3723 H ASP A 251 1.284 -20.567 -29.707 1.00 0.00 H +ATOM 3724 HA ASP A 251 1.197 -21.975 -32.250 1.00 0.00 H +ATOM 3725 HB3 ASP A 251 -0.701 -20.499 -32.770 1.00 0.00 H +ATOM 3726 HB2 ASP A 251 -0.323 -19.501 -31.375 1.00 0.00 H +ATOM 3727 N GLY A 252 3.157 -19.561 -32.119 1.00 59.46 N +ATOM 3728 CA GLY A 252 4.167 -18.791 -32.841 1.00 58.92 C +ATOM 3729 C GLY A 252 3.827 -17.297 -32.952 1.00 59.26 C +ATOM 3730 O GLY A 252 4.694 -16.534 -33.376 1.00 59.89 O +ATOM 3731 H GLY A 252 3.346 -19.726 -31.138 1.00 0.00 H +ATOM 3732 HA3 GLY A 252 4.320 -19.201 -33.840 1.00 0.00 H +ATOM 3733 HA2 GLY A 252 5.114 -18.894 -32.310 1.00 0.00 H +ATOM 3734 N GLU A 253 2.607 -16.867 -32.575 1.00 59.20 N +ATOM 3735 CA GLU A 253 2.201 -15.460 -32.573 1.00 59.24 C +ATOM 3736 C GLU A 253 2.910 -14.665 -31.464 1.00 59.28 C +ATOM 3737 O GLU A 253 3.090 -15.179 -30.358 1.00 59.03 O +ATOM 3738 CB GLU A 253 0.667 -15.322 -32.483 1.00 58.97 C +ATOM 3739 CG GLU A 253 -0.007 -16.022 -31.281 1.00 60.46 C +ATOM 3740 CD GLU A 253 -1.475 -15.632 -31.078 1.00 61.44 C +ATOM 3741 OE1 GLU A 253 -2.086 -16.235 -30.170 1.00 62.15 O +ATOM 3742 OE2 GLU A 253 -1.963 -14.734 -31.801 1.00 61.94 O1- +ATOM 3743 H GLU A 253 1.928 -17.530 -32.231 1.00 0.00 H +ATOM 3744 HA GLU A 253 2.503 -15.033 -33.532 1.00 0.00 H +ATOM 3745 HB3 GLU A 253 0.224 -15.699 -33.406 1.00 0.00 H +ATOM 3746 HB2 GLU A 253 0.433 -14.256 -32.465 1.00 0.00 H +ATOM 3747 HG3 GLU A 253 0.519 -15.805 -30.355 1.00 0.00 H +ATOM 3748 HG2 GLU A 253 0.045 -17.103 -31.410 1.00 0.00 H +ATOM 3749 N GLU A 254 3.294 -13.425 -31.804 1.00 59.88 N +ATOM 3750 CA GLU A 254 4.096 -12.549 -30.958 1.00 60.07 C +ATOM 3751 C GLU A 254 3.246 -11.351 -30.502 1.00 59.53 C +ATOM 3752 O GLU A 254 3.070 -10.409 -31.274 1.00 59.70 O +ATOM 3753 CB GLU A 254 5.368 -12.114 -31.718 1.00 61.29 C +ATOM 3754 CG GLU A 254 6.190 -13.295 -32.276 1.00 62.36 C +ATOM 3755 CD GLU A 254 7.525 -12.836 -32.857 1.00 63.74 C +ATOM 3756 OE1 GLU A 254 7.483 -12.052 -33.831 1.00 64.15 O +ATOM 3757 OE2 GLU A 254 8.565 -13.268 -32.315 1.00 63.61 O1- +ATOM 3758 H GLU A 254 3.089 -13.075 -32.728 1.00 0.00 H +ATOM 3759 HA GLU A 254 4.440 -13.100 -30.091 1.00 0.00 H +ATOM 3760 HB3 GLU A 254 5.995 -11.524 -31.047 1.00 0.00 H +ATOM 3761 HB2 GLU A 254 5.104 -11.450 -32.544 1.00 0.00 H +ATOM 3762 HG3 GLU A 254 5.641 -13.801 -33.070 1.00 0.00 H +ATOM 3763 HG2 GLU A 254 6.359 -14.045 -31.505 1.00 0.00 H +ATOM 3764 N LEU A 255 2.721 -11.419 -29.266 1.00 58.86 N +ATOM 3765 CA LEU A 255 1.875 -10.383 -28.666 1.00 58.29 C +ATOM 3766 C LEU A 255 2.709 -9.524 -27.708 1.00 57.75 C +ATOM 3767 O LEU A 255 3.366 -10.074 -26.824 1.00 57.53 O +ATOM 3768 CB LEU A 255 0.690 -11.010 -27.884 1.00 58.62 C +ATOM 3769 CG LEU A 255 -0.164 -12.064 -28.628 1.00 59.01 C +ATOM 3770 CD1 LEU A 255 -0.587 -11.641 -30.050 1.00 58.57 C +ATOM 3771 CD2 LEU A 255 0.469 -13.467 -28.584 1.00 59.86 C +ATOM 3772 H LEU A 255 2.932 -12.217 -28.681 1.00 0.00 H +ATOM 3773 HA LEU A 255 1.469 -9.735 -29.444 1.00 0.00 H +ATOM 3774 HB3 LEU A 255 0.028 -10.194 -27.588 1.00 0.00 H +ATOM 3775 HB2 LEU A 255 1.036 -11.443 -26.944 1.00 0.00 H +ATOM 3776 HG LEU A 255 -1.084 -12.141 -28.047 1.00 0.00 H +ATOM 3777 HD11 LEU A 255 -1.618 -11.935 -30.247 1.00 0.00 H +ATOM 3778 HD12 LEU A 255 -0.532 -10.562 -30.190 1.00 0.00 H +ATOM 3779 HD13 LEU A 255 0.033 -12.102 -30.820 1.00 0.00 H +ATOM 3780 HD21 LEU A 255 -0.275 -14.220 -28.322 1.00 0.00 H +ATOM 3781 HD22 LEU A 255 0.891 -13.742 -29.547 1.00 0.00 H +ATOM 3782 HD23 LEU A 255 1.274 -13.539 -27.852 1.00 0.00 H +ATOM 3783 N VAL A 256 2.632 -8.193 -27.866 1.00 57.07 N +ATOM 3784 CA VAL A 256 3.287 -7.237 -26.972 1.00 55.73 C +ATOM 3785 C VAL A 256 2.275 -6.757 -25.914 1.00 54.78 C +ATOM 3786 O VAL A 256 1.156 -6.382 -26.268 1.00 54.63 O +ATOM 3787 CB VAL A 256 3.846 -6.004 -27.738 1.00 56.83 C +ATOM 3788 CG1 VAL A 256 4.535 -4.969 -26.823 1.00 57.15 C +ATOM 3789 CG2 VAL A 256 4.826 -6.432 -28.847 1.00 57.77 C +ATOM 3790 H VAL A 256 2.063 -7.797 -28.603 1.00 0.00 H +ATOM 3791 HA VAL A 256 4.125 -7.724 -26.479 1.00 0.00 H +ATOM 3792 HB VAL A 256 3.018 -5.489 -28.226 1.00 0.00 H +ATOM 3793 HG11 VAL A 256 4.975 -4.160 -27.407 1.00 0.00 H +ATOM 3794 HG12 VAL A 256 3.839 -4.504 -26.124 1.00 0.00 H +ATOM 3795 HG13 VAL A 256 5.336 -5.426 -26.241 1.00 0.00 H +ATOM 3796 HG21 VAL A 256 5.223 -5.566 -29.377 1.00 0.00 H +ATOM 3797 HG22 VAL A 256 5.669 -6.983 -28.432 1.00 0.00 H +ATOM 3798 HG23 VAL A 256 4.344 -7.067 -29.591 1.00 0.00 H +ATOM 3799 N LYS A 257 2.696 -6.783 -24.639 1.00 51.70 N +ATOM 3800 CA LYS A 257 1.903 -6.380 -23.477 1.00 48.93 C +ATOM 3801 C LYS A 257 2.757 -5.512 -22.541 1.00 46.97 C +ATOM 3802 O LYS A 257 3.957 -5.751 -22.416 1.00 45.71 O +ATOM 3803 CB LYS A 257 1.383 -7.639 -22.743 1.00 50.03 C +ATOM 3804 CG LYS A 257 0.299 -8.406 -23.523 1.00 50.79 C +ATOM 3805 CD LYS A 257 -0.279 -9.634 -22.794 1.00 50.90 C +ATOM 3806 CE LYS A 257 0.611 -10.891 -22.806 1.00 50.77 C +ATOM 3807 NZ LYS A 257 1.666 -10.851 -21.780 1.00 52.08 N1+ +ATOM 3808 H LYS A 257 3.643 -7.079 -24.440 1.00 0.00 H +ATOM 3809 HA LYS A 257 1.052 -5.778 -23.800 1.00 0.00 H +ATOM 3810 HB3 LYS A 257 0.955 -7.344 -21.784 1.00 0.00 H +ATOM 3811 HB2 LYS A 257 2.216 -8.299 -22.512 1.00 0.00 H +ATOM 3812 HG3 LYS A 257 0.683 -8.722 -24.493 1.00 0.00 H +ATOM 3813 HG2 LYS A 257 -0.520 -7.719 -23.740 1.00 0.00 H +ATOM 3814 HD3 LYS A 257 -1.243 -9.881 -23.238 1.00 0.00 H +ATOM 3815 HD2 LYS A 257 -0.495 -9.369 -21.761 1.00 0.00 H +ATOM 3816 HE3 LYS A 257 1.055 -11.046 -23.791 1.00 0.00 H +ATOM 3817 HE2 LYS A 257 -0.005 -11.767 -22.603 1.00 0.00 H +ATOM 3818 HZ1 LYS A 257 1.245 -10.738 -20.865 1.00 0.00 H +ATOM 3819 HZ2 LYS A 257 2.190 -11.717 -21.792 1.00 0.00 H +ATOM 3820 HZ3 LYS A 257 2.290 -10.078 -21.956 1.00 0.00 H +ATOM 3821 N ILE A 258 2.111 -4.541 -21.878 1.00 44.56 N +ATOM 3822 CA ILE A 258 2.723 -3.678 -20.867 1.00 42.44 C +ATOM 3823 C ILE A 258 1.867 -3.759 -19.595 1.00 40.52 C +ATOM 3824 O ILE A 258 0.741 -3.262 -19.581 1.00 38.13 O +ATOM 3825 CB ILE A 258 2.830 -2.188 -21.319 1.00 43.22 C +ATOM 3826 CG1 ILE A 258 3.726 -2.067 -22.574 1.00 43.77 C +ATOM 3827 CG2 ILE A 258 3.347 -1.249 -20.198 1.00 45.13 C +ATOM 3828 CD1 ILE A 258 3.804 -0.652 -23.166 1.00 43.79 C +ATOM 3829 H ILE A 258 1.120 -4.398 -22.037 1.00 0.00 H +ATOM 3830 HA ILE A 258 3.728 -4.024 -20.629 1.00 0.00 H +ATOM 3831 HB ILE A 258 1.832 -1.846 -21.601 1.00 0.00 H +ATOM 3832 HG13 ILE A 258 3.366 -2.732 -23.358 1.00 0.00 H +ATOM 3833 HG12 ILE A 258 4.730 -2.415 -22.333 1.00 0.00 H +ATOM 3834 HG21 ILE A 258 3.422 -0.218 -20.540 1.00 0.00 H +ATOM 3835 HG22 ILE A 258 2.692 -1.226 -19.328 1.00 0.00 H +ATOM 3836 HG23 ILE A 258 4.337 -1.555 -19.859 1.00 0.00 H +ATOM 3837 HD11 ILE A 258 4.063 -0.690 -24.224 1.00 0.00 H +ATOM 3838 HD12 ILE A 258 2.852 -0.128 -23.078 1.00 0.00 H +ATOM 3839 HD13 ILE A 258 4.566 -0.055 -22.664 1.00 0.00 H +ATOM 3840 N GLY A 259 2.433 -4.382 -18.553 1.00 37.82 N +ATOM 3841 CA GLY A 259 1.840 -4.459 -17.225 1.00 36.40 C +ATOM 3842 C GLY A 259 2.422 -3.346 -16.354 1.00 34.07 C +ATOM 3843 O GLY A 259 3.575 -2.959 -16.538 1.00 31.38 O +ATOM 3844 H GLY A 259 3.370 -4.751 -18.653 1.00 0.00 H +ATOM 3845 HA3 GLY A 259 2.139 -5.408 -16.784 1.00 0.00 H +ATOM 3846 HA2 GLY A 259 0.750 -4.424 -17.253 1.00 0.00 H +ATOM 3847 N LYS A 260 1.645 -2.887 -15.362 1.00 34.92 N +ATOM 3848 CA LYS A 260 2.109 -1.974 -14.318 1.00 35.62 C +ATOM 3849 C LYS A 260 1.342 -2.243 -13.017 1.00 34.43 C +ATOM 3850 O LYS A 260 0.122 -2.384 -13.048 1.00 33.78 O +ATOM 3851 CB LYS A 260 2.015 -0.512 -14.806 1.00 38.36 C +ATOM 3852 CG LYS A 260 2.409 0.569 -13.781 1.00 43.96 C +ATOM 3853 CD LYS A 260 2.247 1.984 -14.366 1.00 46.47 C +ATOM 3854 CE LYS A 260 2.131 3.093 -13.311 1.00 47.84 C +ATOM 3855 NZ LYS A 260 3.342 3.209 -12.485 1.00 49.34 N1+ +ATOM 3856 H LYS A 260 0.700 -3.234 -15.258 1.00 0.00 H +ATOM 3857 HA LYS A 260 3.155 -2.196 -14.133 1.00 0.00 H +ATOM 3858 HB3 LYS A 260 0.990 -0.323 -15.117 1.00 0.00 H +ATOM 3859 HB2 LYS A 260 2.630 -0.390 -15.699 1.00 0.00 H +ATOM 3860 HG3 LYS A 260 3.440 0.413 -13.460 1.00 0.00 H +ATOM 3861 HG2 LYS A 260 1.797 0.483 -12.884 1.00 0.00 H +ATOM 3862 HD3 LYS A 260 1.361 2.019 -15.001 1.00 0.00 H +ATOM 3863 HD2 LYS A 260 3.091 2.197 -15.023 1.00 0.00 H +ATOM 3864 HE3 LYS A 260 1.274 2.907 -12.665 1.00 0.00 H +ATOM 3865 HE2 LYS A 260 1.958 4.051 -13.802 1.00 0.00 H +ATOM 3866 HZ1 LYS A 260 4.139 3.421 -13.068 1.00 0.00 H +ATOM 3867 HZ2 LYS A 260 3.212 3.946 -11.805 1.00 0.00 H +ATOM 3868 HZ3 LYS A 260 3.500 2.339 -11.998 1.00 0.00 H +ATOM 3869 N LEU A 261 2.074 -2.279 -11.896 1.00 33.81 N +ATOM 3870 CA LEU A 261 1.540 -2.484 -10.553 1.00 31.60 C +ATOM 3871 C LEU A 261 2.107 -1.399 -9.633 1.00 29.63 C +ATOM 3872 O LEU A 261 3.327 -1.284 -9.551 1.00 29.87 O +ATOM 3873 CB LEU A 261 1.907 -3.909 -10.086 1.00 29.94 C +ATOM 3874 CG LEU A 261 1.490 -4.314 -8.647 1.00 31.43 C +ATOM 3875 CD1 LEU A 261 0.021 -4.002 -8.292 1.00 27.52 C +ATOM 3876 CD2 LEU A 261 1.832 -5.793 -8.375 1.00 29.62 C +ATOM 3877 H LEU A 261 3.078 -2.163 -11.956 1.00 0.00 H +ATOM 3878 HA LEU A 261 0.458 -2.413 -10.567 1.00 0.00 H +ATOM 3879 HB3 LEU A 261 2.980 -4.043 -10.176 1.00 0.00 H +ATOM 3880 HB2 LEU A 261 1.476 -4.610 -10.793 1.00 0.00 H +ATOM 3881 HG LEU A 261 2.110 -3.728 -7.969 1.00 0.00 H +ATOM 3882 HD11 LEU A 261 -0.458 -4.812 -7.743 1.00 0.00 H +ATOM 3883 HD12 LEU A 261 -0.045 -3.116 -7.659 1.00 0.00 H +ATOM 3884 HD13 LEU A 261 -0.584 -3.816 -9.174 1.00 0.00 H +ATOM 3885 HD21 LEU A 261 0.951 -6.435 -8.381 1.00 0.00 H +ATOM 3886 HD22 LEU A 261 2.521 -6.197 -9.117 1.00 0.00 H +ATOM 3887 HD23 LEU A 261 2.306 -5.906 -7.399 1.00 0.00 H +ATOM 3888 N ASN A 262 1.228 -0.655 -8.942 1.00 30.06 N +ATOM 3889 CA ASN A 262 1.606 0.325 -7.917 1.00 27.76 C +ATOM 3890 C ASN A 262 1.340 -0.279 -6.537 1.00 25.27 C +ATOM 3891 O ASN A 262 0.211 -0.655 -6.236 1.00 25.48 O +ATOM 3892 CB ASN A 262 0.796 1.629 -8.066 1.00 28.70 C +ATOM 3893 CG ASN A 262 1.053 2.378 -9.374 1.00 33.27 C +ATOM 3894 ND2 ASN A 262 -0.017 2.718 -10.093 1.00 30.78 N +ATOM 3895 OD1 ASN A 262 2.196 2.673 -9.714 1.00 35.47 O +ATOM 3896 H ASN A 262 0.236 -0.806 -9.071 1.00 0.00 H +ATOM 3897 HA ASN A 262 2.665 0.573 -7.994 1.00 0.00 H +ATOM 3898 HB3 ASN A 262 1.056 2.313 -7.257 1.00 0.00 H +ATOM 3899 HB2 ASN A 262 -0.266 1.425 -7.954 1.00 0.00 H +ATOM 3900 HD22 ASN A 262 0.085 3.256 -10.943 1.00 0.00 H +ATOM 3901 HD21 ASN A 262 -0.942 2.450 -9.785 1.00 0.00 H +ATOM 3902 N LEU A 263 2.385 -0.338 -5.710 1.00 25.22 N +ATOM 3903 CA LEU A 263 2.334 -0.871 -4.356 1.00 25.09 C +ATOM 3904 C LEU A 263 2.516 0.332 -3.434 1.00 22.26 C +ATOM 3905 O LEU A 263 3.643 0.771 -3.208 1.00 22.01 O +ATOM 3906 CB LEU A 263 3.416 -1.963 -4.210 1.00 27.62 C +ATOM 3907 CG LEU A 263 3.145 -3.182 -5.131 1.00 30.92 C +ATOM 3908 CD1 LEU A 263 4.338 -4.142 -5.213 1.00 34.54 C +ATOM 3909 CD2 LEU A 263 1.850 -3.932 -4.760 1.00 30.34 C +ATOM 3910 H LEU A 263 3.296 -0.023 -6.023 1.00 0.00 H +ATOM 3911 HA LEU A 263 1.362 -1.317 -4.140 1.00 0.00 H +ATOM 3912 HB3 LEU A 263 3.473 -2.291 -3.171 1.00 0.00 H +ATOM 3913 HB2 LEU A 263 4.394 -1.542 -4.439 1.00 0.00 H +ATOM 3914 HG LEU A 263 3.025 -2.804 -6.146 1.00 0.00 H +ATOM 3915 HD11 LEU A 263 4.176 -4.906 -5.975 1.00 0.00 H +ATOM 3916 HD12 LEU A 263 5.249 -3.610 -5.485 1.00 0.00 H +ATOM 3917 HD13 LEU A 263 4.501 -4.651 -4.265 1.00 0.00 H +ATOM 3918 HD21 LEU A 263 1.958 -5.011 -4.863 1.00 0.00 H +ATOM 3919 HD22 LEU A 263 1.542 -3.731 -3.733 1.00 0.00 H +ATOM 3920 HD23 LEU A 263 1.029 -3.631 -5.411 1.00 0.00 H +ATOM 3921 N VAL A 264 1.375 0.901 -3.024 1.00 21.33 N +ATOM 3922 CA VAL A 264 1.292 2.178 -2.335 1.00 21.12 C +ATOM 3923 C VAL A 264 1.164 1.928 -0.826 1.00 20.78 C +ATOM 3924 O VAL A 264 0.306 1.156 -0.408 1.00 22.61 O +ATOM 3925 CB VAL A 264 0.070 3.007 -2.819 1.00 22.88 C +ATOM 3926 CG1 VAL A 264 -0.043 4.380 -2.122 1.00 19.18 C +ATOM 3927 CG2 VAL A 264 0.088 3.191 -4.347 1.00 19.56 C +ATOM 3928 H VAL A 264 0.490 0.456 -3.232 1.00 0.00 H +ATOM 3929 HA VAL A 264 2.192 2.752 -2.544 1.00 0.00 H +ATOM 3930 HB VAL A 264 -0.841 2.454 -2.594 1.00 0.00 H +ATOM 3931 HG11 VAL A 264 -0.838 4.983 -2.559 1.00 0.00 H +ATOM 3932 HG12 VAL A 264 -0.266 4.276 -1.061 1.00 0.00 H +ATOM 3933 HG13 VAL A 264 0.884 4.947 -2.212 1.00 0.00 H +ATOM 3934 HG21 VAL A 264 -0.795 3.728 -4.686 1.00 0.00 H +ATOM 3935 HG22 VAL A 264 0.968 3.742 -4.674 1.00 0.00 H +ATOM 3936 HG23 VAL A 264 0.084 2.235 -4.870 1.00 0.00 H +ATOM 3937 N ASP A 265 2.018 2.598 -0.048 1.00 21.91 N +ATOM 3938 CA ASP A 265 2.041 2.551 1.407 1.00 22.53 C +ATOM 3939 C ASP A 265 1.867 3.997 1.871 1.00 21.18 C +ATOM 3940 O ASP A 265 2.792 4.799 1.761 1.00 19.87 O +ATOM 3941 CB ASP A 265 3.331 1.862 1.895 1.00 23.03 C +ATOM 3942 CG ASP A 265 3.559 1.777 3.406 1.00 26.46 C +ATOM 3943 OD1 ASP A 265 2.703 2.255 4.181 1.00 25.06 O +ATOM 3944 OD2 ASP A 265 4.617 1.217 3.763 1.00 29.68 O1- +ATOM 3945 H ASP A 265 2.689 3.225 -0.475 1.00 0.00 H +ATOM 3946 HA ASP A 265 1.195 1.978 1.784 1.00 0.00 H +ATOM 3947 HB3 ASP A 265 4.185 2.370 1.458 1.00 0.00 H +ATOM 3948 HB2 ASP A 265 3.314 0.841 1.516 1.00 0.00 H +ATOM 3949 N LEU A 266 0.648 4.295 2.335 1.00 19.19 N +ATOM 3950 CA LEU A 266 0.212 5.627 2.733 1.00 20.84 C +ATOM 3951 C LEU A 266 0.802 6.041 4.086 1.00 20.61 C +ATOM 3952 O LEU A 266 1.182 5.186 4.885 1.00 20.90 O +ATOM 3953 CB LEU A 266 -1.331 5.624 2.799 1.00 17.59 C +ATOM 3954 CG LEU A 266 -2.008 5.326 1.444 1.00 21.63 C +ATOM 3955 CD1 LEU A 266 -3.504 5.077 1.644 1.00 18.98 C +ATOM 3956 CD2 LEU A 266 -1.775 6.459 0.434 1.00 19.35 C +ATOM 3957 H LEU A 266 -0.041 3.561 2.424 1.00 0.00 H +ATOM 3958 HA LEU A 266 0.548 6.343 1.982 1.00 0.00 H +ATOM 3959 HB3 LEU A 266 -1.691 6.584 3.174 1.00 0.00 H +ATOM 3960 HB2 LEU A 266 -1.651 4.885 3.536 1.00 0.00 H +ATOM 3961 HG LEU A 266 -1.600 4.407 1.023 1.00 0.00 H +ATOM 3962 HD11 LEU A 266 -4.039 4.995 0.699 1.00 0.00 H +ATOM 3963 HD12 LEU A 266 -3.673 4.152 2.194 1.00 0.00 H +ATOM 3964 HD13 LEU A 266 -3.946 5.899 2.203 1.00 0.00 H +ATOM 3965 HD21 LEU A 266 -2.503 6.441 -0.376 1.00 0.00 H +ATOM 3966 HD22 LEU A 266 -1.852 7.428 0.924 1.00 0.00 H +ATOM 3967 HD23 LEU A 266 -0.786 6.391 -0.020 1.00 0.00 H +ATOM 3968 N ALA A 267 0.796 7.362 4.330 1.00 21.47 N +ATOM 3969 CA ALA A 267 1.035 7.973 5.637 1.00 19.08 C +ATOM 3970 C ALA A 267 0.017 7.474 6.667 1.00 19.61 C +ATOM 3971 O ALA A 267 -1.141 7.258 6.309 1.00 18.68 O +ATOM 3972 CB ALA A 267 0.926 9.495 5.507 1.00 18.56 C +ATOM 3973 H ALA A 267 0.490 7.992 3.601 1.00 0.00 H +ATOM 3974 HA ALA A 267 2.045 7.724 5.960 1.00 0.00 H +ATOM 3975 HB1 ALA A 267 1.222 9.989 6.433 1.00 0.00 H +ATOM 3976 HB2 ALA A 267 1.571 9.865 4.711 1.00 0.00 H +ATOM 3977 HB3 ALA A 267 -0.094 9.809 5.282 1.00 0.00 H +ATOM 3978 N GLY A 268 0.475 7.318 7.916 1.00 20.90 N +ATOM 3979 CA GLY A 268 -0.308 6.868 9.061 1.00 21.41 C +ATOM 3980 C GLY A 268 -1.595 7.688 9.219 1.00 22.97 C +ATOM 3981 O GLY A 268 -1.557 8.916 9.201 1.00 21.66 O +ATOM 3982 H GLY A 268 1.444 7.546 8.104 1.00 0.00 H +ATOM 3983 HA3 GLY A 268 0.311 7.000 9.946 1.00 0.00 H +ATOM 3984 HA2 GLY A 268 -0.523 5.804 8.962 1.00 0.00 H +ATOM 3985 N SER A 269 -2.725 6.989 9.376 1.00 23.42 N +ATOM 3986 CA SER A 269 -4.062 7.575 9.436 1.00 24.42 C +ATOM 3987 C SER A 269 -4.443 8.263 10.764 1.00 27.82 C +ATOM 3988 O SER A 269 -5.521 8.854 10.800 1.00 27.45 O +ATOM 3989 CB SER A 269 -5.080 6.492 9.039 1.00 22.75 C +ATOM 3990 OG SER A 269 -5.173 5.474 10.010 1.00 25.27 O +ATOM 3991 H SER A 269 -2.681 5.980 9.380 1.00 0.00 H +ATOM 3992 HA SER A 269 -4.113 8.348 8.668 1.00 0.00 H +ATOM 3993 HB3 SER A 269 -4.829 6.048 8.077 1.00 0.00 H +ATOM 3994 HB2 SER A 269 -6.066 6.940 8.932 1.00 0.00 H +ATOM 3995 HG SER A 269 -4.383 4.931 9.960 1.00 0.00 H +ATOM 3996 N GLU A 270 -3.608 8.178 11.820 1.00 30.78 N +ATOM 3997 CA GLU A 270 -3.944 8.642 13.173 1.00 34.86 C +ATOM 3998 C GLU A 270 -4.219 10.145 13.292 1.00 37.87 C +ATOM 3999 O GLU A 270 -3.641 10.939 12.554 1.00 37.82 O +ATOM 4000 CB GLU A 270 -2.909 8.167 14.233 1.00 34.89 C +ATOM 4001 CG GLU A 270 -1.669 9.055 14.545 1.00 37.74 C +ATOM 4002 CD GLU A 270 -0.639 9.192 13.422 1.00 43.02 C +ATOM 4003 OE1 GLU A 270 0.328 8.398 13.446 1.00 35.23 O +ATOM 4004 OE2 GLU A 270 -0.814 10.065 12.546 1.00 47.66 O1- +ATOM 4005 H GLU A 270 -2.727 7.687 11.726 1.00 0.00 H +ATOM 4006 HA GLU A 270 -4.877 8.138 13.383 1.00 0.00 H +ATOM 4007 HB3 GLU A 270 -2.594 7.149 14.015 1.00 0.00 H +ATOM 4008 HB2 GLU A 270 -3.451 8.058 15.172 1.00 0.00 H +ATOM 4009 HG3 GLU A 270 -1.156 8.628 15.408 1.00 0.00 H +ATOM 4010 HG2 GLU A 270 -1.968 10.052 14.864 1.00 0.00 H +ATOM 4011 N ASN A 271 -5.028 10.512 14.297 1.00 10.84 N +ATOM 4012 CA ASN A 271 -5.103 11.886 14.787 1.00 10.86 C +ATOM 4013 C ASN A 271 -3.791 12.256 15.488 1.00 11.95 C +ATOM 4014 O ASN A 271 -3.537 11.806 16.607 1.00 11.05 O +ATOM 4015 CB ASN A 271 -6.318 12.059 15.725 1.00 0.00 C +ATOM 4016 CG ASN A 271 -7.487 12.790 15.059 1.00 0.00 C +ATOM 4017 OD1 ASN A 271 -7.943 12.412 13.982 1.00 0.00 O +ATOM 4018 ND2 ASN A 271 -7.971 13.857 15.696 1.00 0.00 N +ATOM 4019 H ASN A 271 -5.475 9.802 14.865 1.00 0.00 H +ATOM 4020 HA ASN A 271 -5.237 12.505 13.899 1.00 0.00 H +ATOM 4021 HB3 ASN A 271 -6.042 12.632 16.608 1.00 0.00 H +ATOM 4022 HB2 ASN A 271 -6.645 11.099 16.118 1.00 0.00 H +ATOM 4023 HD22 ASN A 271 -8.765 14.356 15.322 1.00 0.00 H +ATOM 4024 HD21 ASN A 271 -7.558 14.167 16.565 1.00 0.00 H +ATOM 4025 N ILE A 272 -3.013 13.107 14.802 1.00 12.97 N +ATOM 4026 CA ILE A 272 -1.874 13.832 15.355 1.00 13.63 C +ATOM 4027 C ILE A 272 -2.463 14.979 16.207 1.00 13.95 C +ATOM 4028 O ILE A 272 -2.793 16.038 15.673 1.00 13.09 O +ATOM 4029 CB ILE A 272 -0.952 14.395 14.227 1.00 0.00 C +ATOM 4030 CG1 ILE A 272 -0.452 13.271 13.285 1.00 0.00 C +ATOM 4031 CG2 ILE A 272 0.248 15.193 14.787 1.00 0.00 C +ATOM 4032 CD1 ILE A 272 0.294 13.771 12.038 1.00 0.00 C +ATOM 4033 H ILE A 272 -3.287 13.372 13.867 1.00 0.00 H +ATOM 4034 HA ILE A 272 -1.288 13.164 15.990 1.00 0.00 H +ATOM 4035 HB ILE A 272 -1.540 15.081 13.616 1.00 0.00 H +ATOM 4036 HG13 ILE A 272 -1.291 12.667 12.939 1.00 0.00 H +ATOM 4037 HG12 ILE A 272 0.192 12.590 13.842 1.00 0.00 H +ATOM 4038 HG21 ILE A 272 0.867 15.599 13.989 1.00 0.00 H +ATOM 4039 HG22 ILE A 272 -0.064 16.042 15.394 1.00 0.00 H +ATOM 4040 HG23 ILE A 272 0.883 14.560 15.408 1.00 0.00 H +ATOM 4041 HD11 ILE A 272 0.244 13.032 11.238 1.00 0.00 H +ATOM 4042 HD12 ILE A 272 -0.131 14.700 11.657 1.00 0.00 H +ATOM 4043 HD13 ILE A 272 1.349 13.945 12.253 1.00 0.00 H +ATOM 4044 N GLY A 273 -2.674 14.681 17.499 1.00 13.61 N +ATOM 4045 CA GLY A 273 -3.492 15.466 18.421 1.00 15.42 C +ATOM 4046 C GLY A 273 -4.874 14.801 18.477 1.00 16.13 C +ATOM 4047 O GLY A 273 -5.658 14.923 17.536 1.00 16.57 O +ATOM 4048 H GLY A 273 -2.385 13.771 17.828 1.00 0.00 H +ATOM 4049 HA3 GLY A 273 -3.591 16.505 18.103 1.00 0.00 H +ATOM 4050 HA2 GLY A 273 -3.023 15.473 19.406 1.00 0.00 H +ATOM 4051 N ARG A 274 -5.149 14.099 19.590 1.00 16.81 N +ATOM 4052 CA ARG A 274 -6.342 13.281 19.839 1.00 18.07 C +ATOM 4053 C ARG A 274 -7.664 14.066 19.845 1.00 19.28 C +ATOM 4054 O ARG A 274 -7.699 15.213 20.291 1.00 18.73 O +ATOM 4055 CB ARG A 274 -6.186 12.575 21.205 1.00 0.00 C +ATOM 4056 CG ARG A 274 -5.004 11.594 21.304 1.00 0.00 C +ATOM 4057 CD ARG A 274 -5.238 10.259 20.583 1.00 0.00 C +ATOM 4058 NE ARG A 274 -6.253 9.434 21.253 1.00 0.00 N +ATOM 4059 CZ ARG A 274 -6.792 8.308 20.757 1.00 0.00 C +ATOM 4060 NH1 ARG A 274 -6.449 7.851 19.545 1.00 0.00 N +ATOM 4061 NH2 ARG A 274 -7.677 7.627 21.494 1.00 0.00 N1+ +ATOM 4062 H ARG A 274 -4.458 14.077 20.326 1.00 0.00 H +ATOM 4063 HA ARG A 274 -6.394 12.536 19.044 1.00 0.00 H +ATOM 4064 HB3 ARG A 274 -7.104 12.042 21.460 1.00 0.00 H +ATOM 4065 HB2 ARG A 274 -6.068 13.336 21.979 1.00 0.00 H +ATOM 4066 HG3 ARG A 274 -4.919 11.358 22.366 1.00 0.00 H +ATOM 4067 HG2 ARG A 274 -4.045 12.037 21.034 1.00 0.00 H +ATOM 4068 HD3 ARG A 274 -4.306 9.727 20.387 1.00 0.00 H +ATOM 4069 HD2 ARG A 274 -5.683 10.476 19.613 1.00 0.00 H +ATOM 4070 HE ARG A 274 -6.542 9.736 22.173 1.00 0.00 H +ATOM 4071 HH12 ARG A 274 -6.836 6.978 19.207 1.00 0.00 H +ATOM 4072 HH11 ARG A 274 -5.755 8.338 18.991 1.00 0.00 H +ATOM 4073 HH22 ARG A 274 -8.103 6.786 21.131 1.00 0.00 H +ATOM 4074 HH21 ARG A 274 -8.014 8.013 22.365 1.00 0.00 H +ATOM 4075 N SER A 275 -8.735 13.377 19.421 1.00 19.79 N +ATOM 4076 CA SER A 275 -10.127 13.815 19.568 1.00 19.71 C +ATOM 4077 C SER A 275 -10.749 13.396 20.919 1.00 18.82 C +ATOM 4078 O SER A 275 -11.872 13.813 21.200 1.00 18.97 O +ATOM 4079 CB SER A 275 -10.949 13.244 18.397 1.00 0.00 C +ATOM 4080 OG SER A 275 -10.712 13.982 17.215 1.00 0.00 O +ATOM 4081 H SER A 275 -8.611 12.443 19.058 1.00 0.00 H +ATOM 4082 HA SER A 275 -10.178 14.905 19.531 1.00 0.00 H +ATOM 4083 HB3 SER A 275 -12.020 13.292 18.599 1.00 0.00 H +ATOM 4084 HB2 SER A 275 -10.708 12.195 18.232 1.00 0.00 H +ATOM 4085 HG SER A 275 -11.124 14.845 17.308 1.00 0.00 H +ATOM 4086 N GLY A 276 -10.022 12.599 21.723 1.00 17.68 N +ATOM 4087 CA GLY A 276 -10.478 12.064 23.002 1.00 17.27 C +ATOM 4088 C GLY A 276 -10.455 10.540 22.889 1.00 17.35 C +ATOM 4089 O GLY A 276 -9.383 9.944 22.767 1.00 16.46 O +ATOM 4090 H GLY A 276 -9.110 12.299 21.413 1.00 0.00 H +ATOM 4091 HA3 GLY A 276 -11.472 12.421 23.281 1.00 0.00 H +ATOM 4092 HA2 GLY A 276 -9.790 12.379 23.787 1.00 0.00 H +ATOM 4093 N ALA A 277 -11.645 9.928 22.964 1.00 16.77 N +ATOM 4094 CA ALA A 277 -11.887 8.496 22.787 1.00 18.31 C +ATOM 4095 C ALA A 277 -13.275 8.300 22.153 1.00 19.35 C +ATOM 4096 O ALA A 277 -14.086 7.523 22.658 1.00 20.14 O +ATOM 4097 CB ALA A 277 -11.709 7.764 24.131 1.00 0.00 C +ATOM 4098 H ALA A 277 -12.475 10.491 23.084 1.00 0.00 H +ATOM 4099 HA ALA A 277 -11.162 8.090 22.080 1.00 0.00 H +ATOM 4100 HB1 ALA A 277 -11.866 6.690 24.020 1.00 0.00 H +ATOM 4101 HB2 ALA A 277 -10.701 7.903 24.523 1.00 0.00 H +ATOM 4102 HB3 ALA A 277 -12.410 8.129 24.882 1.00 0.00 H +ATOM 4103 N VAL A 278 -13.528 9.056 21.073 1.00 19.87 N +ATOM 4104 CA VAL A 278 -14.811 9.154 20.383 1.00 20.84 C +ATOM 4105 C VAL A 278 -14.944 7.996 19.376 1.00 21.07 C +ATOM 4106 O VAL A 278 -14.276 8.011 18.343 1.00 20.98 O +ATOM 4107 CB VAL A 278 -14.915 10.516 19.631 1.00 0.00 C +ATOM 4108 CG1 VAL A 278 -16.218 10.688 18.822 1.00 0.00 C +ATOM 4109 CG2 VAL A 278 -14.743 11.710 20.590 1.00 0.00 C +ATOM 4110 H VAL A 278 -12.788 9.628 20.688 1.00 0.00 H +ATOM 4111 HA VAL A 278 -15.622 9.094 21.113 1.00 0.00 H +ATOM 4112 HB VAL A 278 -14.091 10.583 18.920 1.00 0.00 H +ATOM 4113 HG11 VAL A 278 -16.268 11.676 18.364 1.00 0.00 H +ATOM 4114 HG12 VAL A 278 -16.299 9.965 18.012 1.00 0.00 H +ATOM 4115 HG13 VAL A 278 -17.095 10.574 19.459 1.00 0.00 H +ATOM 4116 HG21 VAL A 278 -14.828 12.658 20.059 1.00 0.00 H +ATOM 4117 HG22 VAL A 278 -15.501 11.699 21.374 1.00 0.00 H +ATOM 4118 HG23 VAL A 278 -13.766 11.704 21.072 1.00 0.00 H +ATOM 4119 N ASP A 279 -15.807 7.014 19.690 1.00 20.39 N +ATOM 4120 CA ASP A 279 -16.019 5.770 18.927 1.00 21.04 C +ATOM 4121 C ASP A 279 -16.802 5.952 17.598 1.00 21.54 C +ATOM 4122 O ASP A 279 -17.360 4.983 17.081 1.00 20.68 O +ATOM 4123 CB ASP A 279 -16.608 4.620 19.795 1.00 0.00 C +ATOM 4124 CG ASP A 279 -17.941 4.898 20.504 1.00 0.00 C +ATOM 4125 OD1 ASP A 279 -18.152 6.042 20.962 1.00 0.00 O +ATOM 4126 OD2 ASP A 279 -18.710 3.919 20.627 1.00 0.00 O1- +ATOM 4127 H ASP A 279 -16.353 7.084 20.539 1.00 0.00 H +ATOM 4128 HA ASP A 279 -15.029 5.430 18.620 1.00 0.00 H +ATOM 4129 HB3 ASP A 279 -15.883 4.348 20.563 1.00 0.00 H +ATOM 4130 HB2 ASP A 279 -16.732 3.726 19.187 1.00 0.00 H +ATOM 4131 N LYS A 280 -16.812 7.179 17.053 1.00 22.34 N +ATOM 4132 CA LYS A 280 -17.376 7.540 15.759 1.00 22.21 C +ATOM 4133 C LYS A 280 -16.655 8.810 15.273 1.00 21.74 C +ATOM 4134 O LYS A 280 -17.267 9.874 15.185 1.00 22.03 O +ATOM 4135 CB LYS A 280 -18.914 7.682 15.878 1.00 0.00 C +ATOM 4136 CG LYS A 280 -19.666 7.848 14.540 1.00 0.00 C +ATOM 4137 CD LYS A 280 -19.576 6.648 13.576 1.00 0.00 C +ATOM 4138 CE LYS A 280 -20.086 5.334 14.189 1.00 0.00 C +ATOM 4139 NZ LYS A 280 -20.322 4.306 13.162 1.00 0.00 N1+ +ATOM 4140 H LYS A 280 -16.319 7.919 17.532 1.00 0.00 H +ATOM 4141 HA LYS A 280 -17.144 6.744 15.051 1.00 0.00 H +ATOM 4142 HB3 LYS A 280 -19.149 8.527 16.527 1.00 0.00 H +ATOM 4143 HB2 LYS A 280 -19.325 6.814 16.393 1.00 0.00 H +ATOM 4144 HG3 LYS A 280 -19.317 8.742 14.022 1.00 0.00 H +ATOM 4145 HG2 LYS A 280 -20.716 8.040 14.759 1.00 0.00 H +ATOM 4146 HD3 LYS A 280 -18.549 6.521 13.230 1.00 0.00 H +ATOM 4147 HD2 LYS A 280 -20.158 6.882 12.684 1.00 0.00 H +ATOM 4148 HE3 LYS A 280 -21.032 5.507 14.704 1.00 0.00 H +ATOM 4149 HE2 LYS A 280 -19.381 4.950 14.926 1.00 0.00 H +ATOM 4150 HZ1 LYS A 280 -19.457 4.052 12.695 1.00 0.00 H +ATOM 4151 HZ2 LYS A 280 -20.706 3.478 13.591 1.00 0.00 H +ATOM 4152 HZ3 LYS A 280 -20.972 4.655 12.474 1.00 0.00 H +ATOM 4153 N ARG A 281 -15.346 8.676 15.008 1.00 20.52 N +ATOM 4154 CA ARG A 281 -14.464 9.757 14.572 1.00 20.19 C +ATOM 4155 C ARG A 281 -13.653 9.284 13.361 1.00 18.61 C +ATOM 4156 O ARG A 281 -13.126 8.174 13.385 1.00 17.48 O +ATOM 4157 CB ARG A 281 -13.586 10.202 15.767 1.00 0.00 C +ATOM 4158 CG ARG A 281 -12.631 11.380 15.483 1.00 0.00 C +ATOM 4159 CD ARG A 281 -11.202 11.002 15.051 1.00 0.00 C +ATOM 4160 NE ARG A 281 -10.398 10.482 16.167 1.00 0.00 N +ATOM 4161 CZ ARG A 281 -9.203 9.882 16.048 1.00 0.00 C +ATOM 4162 NH1 ARG A 281 -8.689 9.597 14.850 1.00 0.00 N +ATOM 4163 NH2 ARG A 281 -8.497 9.550 17.134 1.00 0.00 N1+ +ATOM 4164 H ARG A 281 -14.905 7.771 15.111 1.00 0.00 H +ATOM 4165 HA ARG A 281 -15.061 10.614 14.254 1.00 0.00 H +ATOM 4166 HB3 ARG A 281 -13.032 9.360 16.184 1.00 0.00 H +ATOM 4167 HB2 ARG A 281 -14.271 10.520 16.552 1.00 0.00 H +ATOM 4168 HG3 ARG A 281 -12.513 11.859 16.455 1.00 0.00 H +ATOM 4169 HG2 ARG A 281 -13.073 12.150 14.849 1.00 0.00 H +ATOM 4170 HD3 ARG A 281 -10.708 11.802 14.500 1.00 0.00 H +ATOM 4171 HD2 ARG A 281 -11.266 10.156 14.370 1.00 0.00 H +ATOM 4172 HE ARG A 281 -10.791 10.594 17.095 1.00 0.00 H +ATOM 4173 HH12 ARG A 281 -7.803 9.109 14.786 1.00 0.00 H +ATOM 4174 HH11 ARG A 281 -9.183 9.831 14.000 1.00 0.00 H +ATOM 4175 HH22 ARG A 281 -7.603 9.085 17.010 1.00 0.00 H +ATOM 4176 HH21 ARG A 281 -8.871 9.683 18.066 1.00 0.00 H +ATOM 4177 N ALA A 282 -13.559 10.154 12.345 1.00 17.72 N +ATOM 4178 CA ALA A 282 -12.760 9.963 11.134 1.00 17.56 C +ATOM 4179 C ALA A 282 -11.568 10.929 11.134 1.00 17.85 C +ATOM 4180 O ALA A 282 -11.635 11.973 11.788 1.00 18.10 O +ATOM 4181 CB ALA A 282 -13.654 10.253 9.917 1.00 0.00 C +ATOM 4182 H ALA A 282 -14.010 11.054 12.424 1.00 0.00 H +ATOM 4183 HA ALA A 282 -12.394 8.940 11.065 1.00 0.00 H +ATOM 4184 HB1 ALA A 282 -13.114 10.091 8.983 1.00 0.00 H +ATOM 4185 HB2 ALA A 282 -14.526 9.601 9.903 1.00 0.00 H +ATOM 4186 HB3 ALA A 282 -14.013 11.283 9.916 1.00 0.00 H +ATOM 4187 N ARG A 283 -10.518 10.596 10.360 1.00 17.87 N +ATOM 4188 CA ARG A 283 -9.420 11.525 10.091 1.00 17.93 C +ATOM 4189 C ARG A 283 -9.853 12.571 9.053 1.00 17.89 C +ATOM 4190 O ARG A 283 -10.180 12.216 7.921 1.00 17.04 O +ATOM 4191 CB ARG A 283 -8.142 10.787 9.631 1.00 0.00 C +ATOM 4192 CG ARG A 283 -6.868 11.664 9.568 1.00 0.00 C +ATOM 4193 CD ARG A 283 -6.536 12.352 10.906 1.00 0.00 C +ATOM 4194 NE ARG A 283 -5.226 13.019 10.899 1.00 0.00 N +ATOM 4195 CZ ARG A 283 -4.869 14.069 11.662 1.00 0.00 C +ATOM 4196 NH1 ARG A 283 -5.736 14.668 12.493 1.00 0.00 N +ATOM 4197 NH2 ARG A 283 -3.615 14.533 11.592 1.00 0.00 N1+ +ATOM 4198 H ARG A 283 -10.515 9.724 9.850 1.00 0.00 H +ATOM 4199 HA ARG A 283 -9.193 12.028 11.033 1.00 0.00 H +ATOM 4200 HB3 ARG A 283 -8.318 10.332 8.656 1.00 0.00 H +ATOM 4201 HB2 ARG A 283 -7.946 9.956 10.296 1.00 0.00 H +ATOM 4202 HG3 ARG A 283 -7.056 12.443 8.829 1.00 0.00 H +ATOM 4203 HG2 ARG A 283 -6.008 11.108 9.194 1.00 0.00 H +ATOM 4204 HD3 ARG A 283 -6.691 11.709 11.773 1.00 0.00 H +ATOM 4205 HD2 ARG A 283 -7.240 13.178 10.998 1.00 0.00 H +ATOM 4206 HE ARG A 283 -4.507 12.558 10.355 1.00 0.00 H +ATOM 4207 HH12 ARG A 283 -5.454 15.460 13.052 1.00 0.00 H +ATOM 4208 HH11 ARG A 283 -6.682 14.320 12.569 1.00 0.00 H +ATOM 4209 HH22 ARG A 283 -3.334 15.333 12.140 1.00 0.00 H +ATOM 4210 HH21 ARG A 283 -2.951 14.122 10.947 1.00 0.00 H +ATOM 4211 N GLU A 284 -9.807 13.838 9.475 1.00 17.86 N +ATOM 4212 CA GLU A 284 -10.025 15.028 8.660 1.00 17.35 C +ATOM 4213 C GLU A 284 -9.246 16.188 9.318 1.00 17.22 C +ATOM 4214 O GLU A 284 -8.586 15.973 10.338 1.00 16.63 O +ATOM 4215 CB GLU A 284 -11.553 15.240 8.450 1.00 0.00 C +ATOM 4216 CG GLU A 284 -12.018 16.416 7.558 1.00 0.00 C +ATOM 4217 CD GLU A 284 -11.402 16.425 6.156 1.00 0.00 C +ATOM 4218 OE1 GLU A 284 -11.931 15.714 5.274 1.00 0.00 O +ATOM 4219 OE2 GLU A 284 -10.410 17.166 5.984 1.00 0.00 O1- +ATOM 4220 H GLU A 284 -9.532 14.028 10.428 1.00 0.00 H +ATOM 4221 HA GLU A 284 -9.562 14.848 7.690 1.00 0.00 H +ATOM 4222 HB3 GLU A 284 -12.025 15.352 9.427 1.00 0.00 H +ATOM 4223 HB2 GLU A 284 -11.981 14.327 8.033 1.00 0.00 H +ATOM 4224 HG3 GLU A 284 -11.821 17.371 8.046 1.00 0.00 H +ATOM 4225 HG2 GLU A 284 -13.102 16.371 7.449 1.00 0.00 H +ATOM 4226 N ALA A 285 -9.262 17.362 8.670 1.00 16.09 N +ATOM 4227 CA ALA A 285 -8.474 18.562 8.956 1.00 15.81 C +ATOM 4228 C ALA A 285 -8.519 19.079 10.411 1.00 15.10 C +ATOM 4229 O ALA A 285 -9.306 19.972 10.725 1.00 15.07 O +ATOM 4230 CB ALA A 285 -8.887 19.652 7.952 1.00 0.00 C +ATOM 4231 H ALA A 285 -9.804 17.414 7.814 1.00 0.00 H +ATOM 4232 HA ALA A 285 -7.435 18.312 8.740 1.00 0.00 H +ATOM 4233 HB1 ALA A 285 -8.356 20.587 8.133 1.00 0.00 H +ATOM 4234 HB2 ALA A 285 -8.655 19.343 6.933 1.00 0.00 H +ATOM 4235 HB3 ALA A 285 -9.956 19.859 8.000 1.00 0.00 H +ATOM 4236 N GLY A 286 -7.616 18.540 11.247 1.00 14.46 N +ATOM 4237 CA GLY A 286 -7.194 19.128 12.521 1.00 13.80 C +ATOM 4238 C GLY A 286 -5.981 20.047 12.277 1.00 13.77 C +ATOM 4239 O GLY A 286 -5.718 20.948 13.071 1.00 13.28 O +ATOM 4240 H GLY A 286 -7.050 17.776 10.904 1.00 0.00 H +ATOM 4241 HA3 GLY A 286 -6.908 18.330 13.206 1.00 0.00 H +ATOM 4242 HA2 GLY A 286 -8.003 19.687 12.993 1.00 0.00 H +ATOM 4243 N ASN A 287 -5.280 19.835 11.152 1.00 14.07 N +ATOM 4244 CA ASN A 287 -4.314 20.731 10.531 1.00 14.29 C +ATOM 4245 C ASN A 287 -4.545 20.656 9.004 1.00 13.78 C +ATOM 4246 O ASN A 287 -5.646 20.306 8.578 1.00 14.07 O +ATOM 4247 CB ASN A 287 -2.881 20.352 10.987 1.00 0.00 C +ATOM 4248 CG ASN A 287 -1.862 21.490 10.853 1.00 0.00 C +ATOM 4249 OD1 ASN A 287 -0.963 21.421 10.020 1.00 0.00 O +ATOM 4250 ND2 ASN A 287 -2.000 22.540 11.665 1.00 0.00 N +ATOM 4251 H ASN A 287 -5.555 19.059 10.565 1.00 0.00 H +ATOM 4252 HA ASN A 287 -4.527 21.773 10.776 1.00 0.00 H +ATOM 4253 HB3 ASN A 287 -2.536 19.452 10.478 1.00 0.00 H +ATOM 4254 HB2 ASN A 287 -2.898 20.096 12.048 1.00 0.00 H +ATOM 4255 HD22 ASN A 287 -1.348 23.309 11.609 1.00 0.00 H +ATOM 4256 HD21 ASN A 287 -2.747 22.570 12.344 1.00 0.00 H +ATOM 4257 N ILE A 288 -3.531 21.004 8.197 1.00 12.77 N +ATOM 4258 CA ILE A 288 -3.575 20.908 6.739 1.00 12.21 C +ATOM 4259 C ILE A 288 -2.274 20.213 6.293 1.00 12.65 C +ATOM 4260 O ILE A 288 -1.266 20.879 6.059 1.00 12.37 O +ATOM 4261 CB ILE A 288 -3.746 22.303 6.052 1.00 0.00 C +ATOM 4262 CG1 ILE A 288 -5.064 22.992 6.491 1.00 0.00 C +ATOM 4263 CG2 ILE A 288 -3.701 22.218 4.509 1.00 0.00 C +ATOM 4264 CD1 ILE A 288 -5.242 24.425 5.967 1.00 0.00 C +ATOM 4265 H ILE A 288 -2.648 21.298 8.593 1.00 0.00 H +ATOM 4266 HA ILE A 288 -4.405 20.277 6.417 1.00 0.00 H +ATOM 4267 HB ILE A 288 -2.923 22.944 6.373 1.00 0.00 H +ATOM 4268 HG13 ILE A 288 -5.124 23.037 7.578 1.00 0.00 H +ATOM 4269 HG12 ILE A 288 -5.912 22.386 6.171 1.00 0.00 H +ATOM 4270 HG21 ILE A 288 -3.806 23.198 4.044 1.00 0.00 H +ATOM 4271 HG22 ILE A 288 -2.767 21.805 4.129 1.00 0.00 H +ATOM 4272 HG23 ILE A 288 -4.510 21.591 4.142 1.00 0.00 H +ATOM 4273 HD11 ILE A 288 -5.881 25.005 6.634 1.00 0.00 H +ATOM 4274 HD12 ILE A 288 -4.288 24.947 5.891 1.00 0.00 H +ATOM 4275 HD13 ILE A 288 -5.708 24.430 4.982 1.00 0.00 H +ATOM 4276 N ASN A 289 -2.322 18.871 6.235 1.00 11.38 N +ATOM 4277 CA ASN A 289 -1.245 17.994 5.761 1.00 11.47 C +ATOM 4278 C ASN A 289 -1.874 17.091 4.695 1.00 11.10 C +ATOM 4279 O ASN A 289 -2.711 16.244 5.010 1.00 11.50 O +ATOM 4280 CB ASN A 289 -0.614 17.210 6.932 1.00 0.00 C +ATOM 4281 CG ASN A 289 0.180 18.112 7.882 1.00 0.00 C +ATOM 4282 OD1 ASN A 289 1.355 18.386 7.657 1.00 0.00 O +ATOM 4283 ND2 ASN A 289 -0.463 18.577 8.952 1.00 0.00 N +ATOM 4284 H ASN A 289 -3.187 18.403 6.467 1.00 0.00 H +ATOM 4285 HA ASN A 289 -0.469 18.612 5.306 1.00 0.00 H +ATOM 4286 HB3 ASN A 289 0.072 16.458 6.539 1.00 0.00 H +ATOM 4287 HB2 ASN A 289 -1.367 16.662 7.493 1.00 0.00 H +ATOM 4288 HD22 ASN A 289 0.003 19.209 9.588 1.00 0.00 H +ATOM 4289 HD21 ASN A 289 -1.428 18.333 9.114 1.00 0.00 H +ATOM 4290 N GLN A 290 -1.553 17.423 3.440 1.00 21.33 N +ATOM 4291 CA GLN A 290 -2.550 17.564 2.388 1.00 21.12 C +ATOM 4292 C GLN A 290 -2.907 16.280 1.622 1.00 19.80 C +ATOM 4293 O GLN A 290 -4.082 16.115 1.296 1.00 17.84 O +ATOM 4294 CB GLN A 290 -2.046 18.695 1.466 1.00 22.69 C +ATOM 4295 CG GLN A 290 -2.980 19.142 0.328 1.00 21.91 C +ATOM 4296 CD GLN A 290 -4.278 19.794 0.816 1.00 24.64 C +ATOM 4297 NE2 GLN A 290 -5.246 19.953 -0.085 1.00 26.54 N +ATOM 4298 OE1 GLN A 290 -4.409 20.170 1.978 1.00 22.56 O +ATOM 4299 H GLN A 290 -0.741 18.010 3.304 1.00 0.00 H +ATOM 4300 HA GLN A 290 -3.473 17.902 2.864 1.00 0.00 H +ATOM 4301 HB3 GLN A 290 -1.097 18.390 1.038 1.00 0.00 H +ATOM 4302 HB2 GLN A 290 -1.808 19.570 2.074 1.00 0.00 H +ATOM 4303 HG3 GLN A 290 -3.216 18.300 -0.323 1.00 0.00 H +ATOM 4304 HG2 GLN A 290 -2.456 19.867 -0.294 1.00 0.00 H +ATOM 4305 HE22 GLN A 290 -6.124 20.381 0.171 1.00 0.00 H +ATOM 4306 HE21 GLN A 290 -5.107 19.633 -1.036 1.00 0.00 H +ATOM 4307 N SER A 291 -1.926 15.404 1.341 1.00 19.05 N +ATOM 4308 CA SER A 291 -2.127 14.183 0.548 1.00 20.94 C +ATOM 4309 C SER A 291 -3.084 13.156 1.175 1.00 20.92 C +ATOM 4310 O SER A 291 -3.890 12.572 0.450 1.00 21.32 O +ATOM 4311 CB SER A 291 -0.772 13.551 0.171 1.00 20.43 C +ATOM 4312 OG SER A 291 -0.320 14.043 -1.073 1.00 20.74 O +ATOM 4313 H SER A 291 -0.974 15.619 1.605 1.00 0.00 H +ATOM 4314 HA SER A 291 -2.628 14.477 -0.370 1.00 0.00 H +ATOM 4315 HB3 SER A 291 -0.853 12.469 0.075 1.00 0.00 H +ATOM 4316 HB2 SER A 291 -0.017 13.740 0.934 1.00 0.00 H +ATOM 4317 HG SER A 291 0.035 14.932 -0.923 1.00 0.00 H +ATOM 4318 N LEU A 292 -3.004 12.985 2.505 1.00 19.79 N +ATOM 4319 CA LEU A 292 -3.875 12.088 3.262 1.00 20.51 C +ATOM 4320 C LEU A 292 -5.308 12.634 3.398 1.00 21.92 C +ATOM 4321 O LEU A 292 -6.253 11.854 3.277 1.00 19.80 O +ATOM 4322 CB LEU A 292 -3.234 11.797 4.636 1.00 21.65 C +ATOM 4323 CG LEU A 292 -3.968 10.739 5.492 1.00 25.71 C +ATOM 4324 CD1 LEU A 292 -4.104 9.374 4.783 1.00 23.44 C +ATOM 4325 CD2 LEU A 292 -3.297 10.596 6.867 1.00 25.41 C +ATOM 4326 H LEU A 292 -2.340 13.526 3.039 1.00 0.00 H +ATOM 4327 HA LEU A 292 -3.934 11.151 2.704 1.00 0.00 H +ATOM 4328 HB3 LEU A 292 -3.169 12.731 5.198 1.00 0.00 H +ATOM 4329 HB2 LEU A 292 -2.203 11.471 4.494 1.00 0.00 H +ATOM 4330 HG LEU A 292 -4.974 11.108 5.689 1.00 0.00 H +ATOM 4331 HD11 LEU A 292 -3.976 8.535 5.468 1.00 0.00 H +ATOM 4332 HD12 LEU A 292 -5.092 9.269 4.334 1.00 0.00 H +ATOM 4333 HD13 LEU A 292 -3.370 9.251 3.987 1.00 0.00 H +ATOM 4334 HD21 LEU A 292 -4.044 10.605 7.659 1.00 0.00 H +ATOM 4335 HD22 LEU A 292 -2.736 9.665 6.951 1.00 0.00 H +ATOM 4336 HD23 LEU A 292 -2.594 11.405 7.070 1.00 0.00 H +ATOM 4337 N LEU A 293 -5.441 13.955 3.621 1.00 20.92 N +ATOM 4338 CA LEU A 293 -6.727 14.654 3.700 1.00 22.29 C +ATOM 4339 C LEU A 293 -7.492 14.593 2.375 1.00 22.16 C +ATOM 4340 O LEU A 293 -8.673 14.253 2.384 1.00 23.04 O +ATOM 4341 CB LEU A 293 -6.518 16.126 4.120 1.00 21.25 C +ATOM 4342 CG LEU A 293 -6.004 16.306 5.561 1.00 24.69 C +ATOM 4343 CD1 LEU A 293 -5.688 17.782 5.859 1.00 21.82 C +ATOM 4344 CD2 LEU A 293 -6.952 15.713 6.612 1.00 24.44 C +ATOM 4345 H LEU A 293 -4.616 14.532 3.704 1.00 0.00 H +ATOM 4346 HA LEU A 293 -7.338 14.147 4.448 1.00 0.00 H +ATOM 4347 HB3 LEU A 293 -7.459 16.672 4.023 1.00 0.00 H +ATOM 4348 HB2 LEU A 293 -5.826 16.603 3.425 1.00 0.00 H +ATOM 4349 HG LEU A 293 -5.069 15.756 5.638 1.00 0.00 H +ATOM 4350 HD11 LEU A 293 -4.868 17.860 6.571 1.00 0.00 H +ATOM 4351 HD12 LEU A 293 -5.399 18.330 4.962 1.00 0.00 H +ATOM 4352 HD13 LEU A 293 -6.544 18.298 6.293 1.00 0.00 H +ATOM 4353 HD21 LEU A 293 -6.964 16.314 7.518 1.00 0.00 H +ATOM 4354 HD22 LEU A 293 -7.974 15.652 6.239 1.00 0.00 H +ATOM 4355 HD23 LEU A 293 -6.640 14.709 6.901 1.00 0.00 H +ATOM 4356 N THR A 294 -6.791 14.876 1.267 1.00 22.88 N +ATOM 4357 CA THR A 294 -7.353 14.866 -0.080 1.00 21.29 C +ATOM 4358 C THR A 294 -7.746 13.460 -0.567 1.00 22.41 C +ATOM 4359 O THR A 294 -8.751 13.355 -1.261 1.00 21.52 O +ATOM 4360 CB THR A 294 -6.391 15.491 -1.115 1.00 20.03 C +ATOM 4361 CG2 THR A 294 -6.976 15.626 -2.529 1.00 20.26 C +ATOM 4362 OG1 THR A 294 -6.034 16.793 -0.697 1.00 16.51 O +ATOM 4363 H THR A 294 -5.814 15.127 1.345 1.00 0.00 H +ATOM 4364 HA THR A 294 -8.262 15.468 -0.060 1.00 0.00 H +ATOM 4365 HB THR A 294 -5.480 14.895 -1.154 1.00 0.00 H +ATOM 4366 HG21 THR A 294 -6.291 16.150 -3.193 1.00 0.00 H +ATOM 4367 HG22 THR A 294 -7.184 14.662 -2.988 1.00 0.00 H +ATOM 4368 HG23 THR A 294 -7.914 16.182 -2.506 1.00 0.00 H +ATOM 4369 HG1 THR A 294 -5.472 16.717 0.082 1.00 0.00 H +ATOM 4370 N LEU A 295 -7.007 12.409 -0.160 1.00 23.24 N +ATOM 4371 CA LEU A 295 -7.368 11.010 -0.419 1.00 22.73 C +ATOM 4372 C LEU A 295 -8.719 10.628 0.215 1.00 22.80 C +ATOM 4373 O LEU A 295 -9.518 9.966 -0.445 1.00 22.35 O +ATOM 4374 CB LEU A 295 -6.222 10.079 0.041 1.00 22.23 C +ATOM 4375 CG LEU A 295 -6.467 8.563 -0.164 1.00 25.11 C +ATOM 4376 CD1 LEU A 295 -6.643 8.187 -1.649 1.00 20.75 C +ATOM 4377 CD2 LEU A 295 -5.374 7.727 0.524 1.00 21.13 C +ATOM 4378 H LEU A 295 -6.184 12.562 0.406 1.00 0.00 H +ATOM 4379 HA LEU A 295 -7.483 10.898 -1.497 1.00 0.00 H +ATOM 4380 HB3 LEU A 295 -6.034 10.262 1.099 1.00 0.00 H +ATOM 4381 HB2 LEU A 295 -5.303 10.360 -0.476 1.00 0.00 H +ATOM 4382 HG LEU A 295 -7.394 8.291 0.337 1.00 0.00 H +ATOM 4383 HD11 LEU A 295 -6.144 7.254 -1.914 1.00 0.00 H +ATOM 4384 HD12 LEU A 295 -7.699 8.061 -1.886 1.00 0.00 H +ATOM 4385 HD13 LEU A 295 -6.247 8.959 -2.308 1.00 0.00 H +ATOM 4386 HD21 LEU A 295 -5.817 7.024 1.230 1.00 0.00 H +ATOM 4387 HD22 LEU A 295 -4.785 7.149 -0.186 1.00 0.00 H +ATOM 4388 HD23 LEU A 295 -4.671 8.346 1.083 1.00 0.00 H +ATOM 4389 N GLY A 296 -8.958 11.092 1.454 1.00 23.61 N +ATOM 4390 CA GLY A 296 -10.213 10.893 2.175 1.00 22.93 C +ATOM 4391 C GLY A 296 -11.372 11.633 1.498 1.00 24.51 C +ATOM 4392 O GLY A 296 -12.448 11.057 1.367 1.00 24.67 O +ATOM 4393 H GLY A 296 -8.245 11.635 1.922 1.00 0.00 H +ATOM 4394 HA3 GLY A 296 -10.101 11.260 3.196 1.00 0.00 H +ATOM 4395 HA2 GLY A 296 -10.443 9.828 2.234 1.00 0.00 H +ATOM 4396 N ARG A 297 -11.142 12.871 1.027 1.00 23.60 N +ATOM 4397 CA ARG A 297 -12.124 13.699 0.319 1.00 23.93 C +ATOM 4398 C ARG A 297 -12.434 13.194 -1.103 1.00 23.58 C +ATOM 4399 O ARG A 297 -13.575 13.334 -1.538 1.00 23.29 O +ATOM 4400 CB ARG A 297 -11.639 15.160 0.284 1.00 24.98 C +ATOM 4401 CG ARG A 297 -11.502 15.813 1.673 1.00 23.29 C +ATOM 4402 CD ARG A 297 -10.631 17.069 1.609 1.00 25.05 C +ATOM 4403 NE ARG A 297 -10.503 17.738 2.907 1.00 23.01 N +ATOM 4404 CZ ARG A 297 -9.802 18.866 3.112 1.00 22.41 C +ATOM 4405 NH1 ARG A 297 -9.203 19.514 2.104 1.00 24.72 N +ATOM 4406 NH2 ARG A 297 -9.680 19.345 4.353 1.00 19.41 N1+ +ATOM 4407 H ARG A 297 -10.231 13.287 1.168 1.00 0.00 H +ATOM 4408 HA ARG A 297 -13.053 13.672 0.890 1.00 0.00 H +ATOM 4409 HB3 ARG A 297 -12.317 15.768 -0.316 1.00 0.00 H +ATOM 4410 HB2 ARG A 297 -10.676 15.189 -0.228 1.00 0.00 H +ATOM 4411 HG3 ARG A 297 -11.001 15.116 2.340 1.00 0.00 H +ATOM 4412 HG2 ARG A 297 -12.469 16.005 2.140 1.00 0.00 H +ATOM 4413 HD3 ARG A 297 -10.977 17.750 0.830 1.00 0.00 H +ATOM 4414 HD2 ARG A 297 -9.617 16.769 1.350 1.00 0.00 H +ATOM 4415 HE ARG A 297 -10.899 17.259 3.709 1.00 0.00 H +ATOM 4416 HH12 ARG A 297 -8.624 20.324 2.293 1.00 0.00 H +ATOM 4417 HH11 ARG A 297 -9.234 19.136 1.163 1.00 0.00 H +ATOM 4418 HH22 ARG A 297 -9.153 20.186 4.536 1.00 0.00 H +ATOM 4419 HH21 ARG A 297 -10.053 18.796 5.124 1.00 0.00 H +ATOM 4420 N VAL A 298 -11.446 12.594 -1.792 1.00 24.92 N +ATOM 4421 CA VAL A 298 -11.621 11.928 -3.086 1.00 24.78 C +ATOM 4422 C VAL A 298 -12.471 10.652 -2.955 1.00 27.12 C +ATOM 4423 O VAL A 298 -13.385 10.472 -3.755 1.00 27.82 O +ATOM 4424 CB VAL A 298 -10.259 11.620 -3.783 1.00 23.28 C +ATOM 4425 CG1 VAL A 298 -10.286 10.532 -4.880 1.00 22.42 C +ATOM 4426 CG2 VAL A 298 -9.665 12.905 -4.384 1.00 24.57 C +ATOM 4427 H VAL A 298 -10.517 12.552 -1.392 1.00 0.00 H +ATOM 4428 HA VAL A 298 -12.178 12.609 -3.731 1.00 0.00 H +ATOM 4429 HB VAL A 298 -9.561 11.275 -3.018 1.00 0.00 H +ATOM 4430 HG11 VAL A 298 -9.327 10.472 -5.393 1.00 0.00 H +ATOM 4431 HG12 VAL A 298 -10.483 9.540 -4.471 1.00 0.00 H +ATOM 4432 HG13 VAL A 298 -11.044 10.747 -5.633 1.00 0.00 H +ATOM 4433 HG21 VAL A 298 -8.673 12.728 -4.797 1.00 0.00 H +ATOM 4434 HG22 VAL A 298 -10.291 13.289 -5.188 1.00 0.00 H +ATOM 4435 HG23 VAL A 298 -9.570 13.698 -3.645 1.00 0.00 H +ATOM 4436 N ILE A 299 -12.199 9.833 -1.922 1.00 27.82 N +ATOM 4437 CA ILE A 299 -13.001 8.661 -1.561 1.00 30.85 C +ATOM 4438 C ILE A 299 -14.453 9.033 -1.203 1.00 32.84 C +ATOM 4439 O ILE A 299 -15.365 8.383 -1.706 1.00 33.53 O +ATOM 4440 CB ILE A 299 -12.335 7.836 -0.414 1.00 28.95 C +ATOM 4441 CG1 ILE A 299 -11.096 7.087 -0.964 1.00 27.94 C +ATOM 4442 CG2 ILE A 299 -13.272 6.873 0.365 1.00 27.72 C +ATOM 4443 CD1 ILE A 299 -10.210 6.454 0.114 1.00 30.35 C +ATOM 4444 H ILE A 299 -11.423 10.045 -1.309 1.00 0.00 H +ATOM 4445 HA ILE A 299 -13.048 8.026 -2.448 1.00 0.00 H +ATOM 4446 HB ILE A 299 -11.963 8.554 0.319 1.00 0.00 H +ATOM 4447 HG13 ILE A 299 -10.482 7.764 -1.559 1.00 0.00 H +ATOM 4448 HG12 ILE A 299 -11.403 6.307 -1.655 1.00 0.00 H +ATOM 4449 HG21 ILE A 299 -12.723 6.280 1.096 1.00 0.00 H +ATOM 4450 HG22 ILE A 299 -14.030 7.413 0.932 1.00 0.00 H +ATOM 4451 HG23 ILE A 299 -13.790 6.177 -0.292 1.00 0.00 H +ATOM 4452 HD11 ILE A 299 -9.156 6.519 -0.157 1.00 0.00 H +ATOM 4453 HD12 ILE A 299 -10.337 6.962 1.068 1.00 0.00 H +ATOM 4454 HD13 ILE A 299 -10.454 5.402 0.260 1.00 0.00 H +ATOM 4455 N THR A 300 -14.638 10.101 -0.404 1.00 33.27 N +ATOM 4456 CA THR A 300 -15.943 10.659 -0.043 1.00 34.38 C +ATOM 4457 C THR A 300 -16.744 11.151 -1.263 1.00 34.53 C +ATOM 4458 O THR A 300 -17.928 10.838 -1.359 1.00 38.06 O +ATOM 4459 CB THR A 300 -15.811 11.832 0.966 1.00 33.97 C +ATOM 4460 CG2 THR A 300 -17.122 12.542 1.356 1.00 35.88 C +ATOM 4461 OG1 THR A 300 -15.219 11.355 2.157 1.00 33.69 O +ATOM 4462 H THR A 300 -13.834 10.572 -0.010 1.00 0.00 H +ATOM 4463 HA THR A 300 -16.513 9.864 0.433 1.00 0.00 H +ATOM 4464 HB THR A 300 -15.131 12.580 0.558 1.00 0.00 H +ATOM 4465 HG21 THR A 300 -16.949 13.278 2.141 1.00 0.00 H +ATOM 4466 HG22 THR A 300 -17.562 13.079 0.517 1.00 0.00 H +ATOM 4467 HG23 THR A 300 -17.864 11.835 1.726 1.00 0.00 H +ATOM 4468 HG1 THR A 300 -15.041 12.110 2.730 1.00 0.00 H +ATOM 4469 N ALA A 301 -16.079 11.859 -2.192 1.00 34.90 N +ATOM 4470 CA ALA A 301 -16.680 12.343 -3.433 1.00 35.29 C +ATOM 4471 C ALA A 301 -17.123 11.213 -4.380 1.00 36.92 C +ATOM 4472 O ALA A 301 -18.187 11.329 -4.983 1.00 36.87 O +ATOM 4473 CB ALA A 301 -15.705 13.293 -4.141 1.00 33.23 C +ATOM 4474 H ALA A 301 -15.101 12.077 -2.053 1.00 0.00 H +ATOM 4475 HA ALA A 301 -17.568 12.914 -3.159 1.00 0.00 H +ATOM 4476 HB1 ALA A 301 -16.126 13.651 -5.080 1.00 0.00 H +ATOM 4477 HB2 ALA A 301 -15.487 14.167 -3.527 1.00 0.00 H +ATOM 4478 HB3 ALA A 301 -14.758 12.803 -4.369 1.00 0.00 H +ATOM 4479 N LEU A 302 -16.324 10.137 -4.467 1.00 35.19 N +ATOM 4480 CA LEU A 302 -16.599 8.957 -5.288 1.00 36.10 C +ATOM 4481 C LEU A 302 -17.789 8.124 -4.779 1.00 37.90 C +ATOM 4482 O LEU A 302 -18.625 7.738 -5.596 1.00 38.70 O +ATOM 4483 CB LEU A 302 -15.324 8.094 -5.393 1.00 33.95 C +ATOM 4484 CG LEU A 302 -14.247 8.682 -6.330 1.00 33.02 C +ATOM 4485 CD1 LEU A 302 -12.900 7.967 -6.130 1.00 30.87 C +ATOM 4486 CD2 LEU A 302 -14.674 8.669 -7.809 1.00 32.24 C +ATOM 4487 H LEU A 302 -15.458 10.121 -3.944 1.00 0.00 H +ATOM 4488 HA LEU A 302 -16.863 9.300 -6.288 1.00 0.00 H +ATOM 4489 HB3 LEU A 302 -15.575 7.093 -5.748 1.00 0.00 H +ATOM 4490 HB2 LEU A 302 -14.915 7.955 -4.392 1.00 0.00 H +ATOM 4491 HG LEU A 302 -14.089 9.724 -6.057 1.00 0.00 H +ATOM 4492 HD11 LEU A 302 -12.073 8.640 -6.352 1.00 0.00 H +ATOM 4493 HD12 LEU A 302 -12.767 7.615 -5.107 1.00 0.00 H +ATOM 4494 HD13 LEU A 302 -12.812 7.100 -6.785 1.00 0.00 H +ATOM 4495 HD21 LEU A 302 -13.835 8.457 -8.471 1.00 0.00 H +ATOM 4496 HD22 LEU A 302 -15.446 7.924 -8.004 1.00 0.00 H +ATOM 4497 HD23 LEU A 302 -15.075 9.637 -8.103 1.00 0.00 H +ATOM 4498 N VAL A 303 -17.850 7.865 -3.460 1.00 38.90 N +ATOM 4499 CA VAL A 303 -18.884 7.023 -2.844 1.00 41.75 C +ATOM 4500 C VAL A 303 -20.245 7.737 -2.708 1.00 43.21 C +ATOM 4501 O VAL A 303 -21.273 7.075 -2.847 1.00 42.07 O +ATOM 4502 CB VAL A 303 -18.458 6.479 -1.451 1.00 41.73 C +ATOM 4503 CG1 VAL A 303 -17.169 5.649 -1.545 1.00 42.94 C +ATOM 4504 CG2 VAL A 303 -18.366 7.523 -0.321 1.00 45.02 C +ATOM 4505 H VAL A 303 -17.123 8.207 -2.845 1.00 0.00 H +ATOM 4506 HA VAL A 303 -19.038 6.159 -3.495 1.00 0.00 H +ATOM 4507 HB VAL A 303 -19.227 5.775 -1.127 1.00 0.00 H +ATOM 4508 HG11 VAL A 303 -16.759 5.443 -0.559 1.00 0.00 H +ATOM 4509 HG12 VAL A 303 -17.352 4.699 -2.045 1.00 0.00 H +ATOM 4510 HG13 VAL A 303 -16.386 6.155 -2.102 1.00 0.00 H +ATOM 4511 HG21 VAL A 303 -17.953 7.092 0.591 1.00 0.00 H +ATOM 4512 HG22 VAL A 303 -17.725 8.347 -0.615 1.00 0.00 H +ATOM 4513 HG23 VAL A 303 -19.342 7.930 -0.060 1.00 0.00 H +ATOM 4514 N GLU A 304 -20.231 9.065 -2.491 1.00 45.70 N +ATOM 4515 CA GLU A 304 -21.429 9.912 -2.469 1.00 49.45 C +ATOM 4516 C GLU A 304 -21.908 10.322 -3.873 1.00 51.34 C +ATOM 4517 O GLU A 304 -22.968 10.936 -3.980 1.00 52.06 O +ATOM 4518 CB GLU A 304 -21.169 11.161 -1.605 1.00 49.94 C +ATOM 4519 CG GLU A 304 -20.939 10.829 -0.118 1.00 53.37 C +ATOM 4520 CD GLU A 304 -20.729 12.059 0.765 1.00 56.10 C +ATOM 4521 OE1 GLU A 304 -20.437 13.146 0.219 1.00 59.28 O +ATOM 4522 OE2 GLU A 304 -20.856 11.881 1.996 1.00 56.03 O1- +ATOM 4523 H GLU A 304 -19.349 9.543 -2.363 1.00 0.00 H +ATOM 4524 HA GLU A 304 -22.249 9.355 -2.011 1.00 0.00 H +ATOM 4525 HB3 GLU A 304 -22.016 11.843 -1.682 1.00 0.00 H +ATOM 4526 HB2 GLU A 304 -20.314 11.708 -2.006 1.00 0.00 H +ATOM 4527 HG3 GLU A 304 -20.072 10.182 0.003 1.00 0.00 H +ATOM 4528 HG2 GLU A 304 -21.795 10.275 0.267 1.00 0.00 H +ATOM 4529 N ARG A 305 -21.122 9.991 -4.915 1.00 52.96 N +ATOM 4530 CA ARG A 305 -21.362 10.309 -6.325 1.00 55.80 C +ATOM 4531 C ARG A 305 -21.418 11.820 -6.624 1.00 56.10 C +ATOM 4532 O ARG A 305 -22.092 12.234 -7.568 1.00 58.37 O +ATOM 4533 CB ARG A 305 -22.587 9.547 -6.881 1.00 56.75 C +ATOM 4534 CG ARG A 305 -22.536 8.027 -6.635 1.00 57.95 C +ATOM 4535 CD ARG A 305 -23.301 7.223 -7.694 1.00 60.70 C +ATOM 4536 NE ARG A 305 -22.606 7.294 -8.989 1.00 64.39 N +ATOM 4537 CZ ARG A 305 -23.023 6.775 -10.153 1.00 65.17 C +ATOM 4538 NH1 ARG A 305 -24.155 6.062 -10.233 1.00 65.84 N +ATOM 4539 NH2 ARG A 305 -22.286 6.974 -11.253 1.00 65.41 N1+ +ATOM 4540 H ARG A 305 -20.269 9.483 -4.726 1.00 0.00 H +ATOM 4541 HA ARG A 305 -20.483 9.944 -6.857 1.00 0.00 H +ATOM 4542 HB3 ARG A 305 -22.623 9.731 -7.955 1.00 0.00 H +ATOM 4543 HB2 ARG A 305 -23.519 9.950 -6.482 1.00 0.00 H +ATOM 4544 HG3 ARG A 305 -22.795 7.741 -5.615 1.00 0.00 H +ATOM 4545 HG2 ARG A 305 -21.489 7.741 -6.753 1.00 0.00 H +ATOM 4546 HD3 ARG A 305 -24.259 7.713 -7.871 1.00 0.00 H +ATOM 4547 HD2 ARG A 305 -23.519 6.206 -7.366 1.00 0.00 H +ATOM 4548 HE ARG A 305 -21.734 7.803 -8.982 1.00 0.00 H +ATOM 4549 HH12 ARG A 305 -24.461 5.674 -11.113 1.00 0.00 H +ATOM 4550 HH11 ARG A 305 -24.710 5.906 -9.404 1.00 0.00 H +ATOM 4551 HH22 ARG A 305 -22.579 6.593 -12.141 1.00 0.00 H +ATOM 4552 HH21 ARG A 305 -21.434 7.513 -11.206 1.00 0.00 H +ATOM 4553 N THR A 306 -20.687 12.611 -5.819 1.00 55.97 N +ATOM 4554 CA THR A 306 -20.543 14.060 -5.944 1.00 55.57 C +ATOM 4555 C THR A 306 -19.862 14.407 -7.291 1.00 54.94 C +ATOM 4556 O THR A 306 -18.799 13.840 -7.558 1.00 56.07 O +ATOM 4557 CB THR A 306 -19.636 14.606 -4.809 1.00 55.82 C +ATOM 4558 CG2 THR A 306 -19.395 16.127 -4.847 1.00 56.42 C +ATOM 4559 OG1 THR A 306 -20.234 14.321 -3.558 1.00 55.58 O +ATOM 4560 H THR A 306 -20.126 12.175 -5.100 1.00 0.00 H +ATOM 4561 HA THR A 306 -21.533 14.494 -5.824 1.00 0.00 H +ATOM 4562 HB THR A 306 -18.670 14.104 -4.835 1.00 0.00 H +ATOM 4563 HG21 THR A 306 -18.804 16.447 -3.989 1.00 0.00 H +ATOM 4564 HG22 THR A 306 -18.855 16.441 -5.738 1.00 0.00 H +ATOM 4565 HG23 THR A 306 -20.337 16.676 -4.821 1.00 0.00 H +ATOM 4566 HG1 THR A 306 -20.305 13.370 -3.450 1.00 0.00 H +ATOM 4567 N PRO A 307 -20.485 15.281 -8.122 1.00 54.81 N +ATOM 4568 CA PRO A 307 -19.953 15.678 -9.446 1.00 54.33 C +ATOM 4569 C PRO A 307 -18.468 16.081 -9.504 1.00 52.41 C +ATOM 4570 O PRO A 307 -17.776 15.664 -10.433 1.00 53.53 O +ATOM 4571 CB PRO A 307 -20.862 16.842 -9.873 1.00 54.49 C +ATOM 4572 CG PRO A 307 -22.189 16.542 -9.205 1.00 55.69 C +ATOM 4573 CD PRO A 307 -21.781 15.922 -7.875 1.00 55.25 C +ATOM 4574 HA PRO A 307 -20.115 14.831 -10.114 1.00 0.00 H +ATOM 4575 HB3 PRO A 307 -20.955 16.925 -10.956 1.00 0.00 H +ATOM 4576 HB2 PRO A 307 -20.479 17.794 -9.500 1.00 0.00 H +ATOM 4577 HG3 PRO A 307 -22.727 15.800 -9.797 1.00 0.00 H +ATOM 4578 HG2 PRO A 307 -22.832 17.416 -9.097 1.00 0.00 H +ATOM 4579 HD2 PRO A 307 -21.657 16.690 -7.111 1.00 0.00 H +ATOM 4580 HD3 PRO A 307 -22.553 15.224 -7.552 1.00 0.00 H +ATOM 4581 N HIS A 308 -18.009 16.846 -8.500 1.00 49.84 N +ATOM 4582 CA HIS A 308 -16.614 17.240 -8.344 1.00 47.05 C +ATOM 4583 C HIS A 308 -15.874 16.234 -7.450 1.00 44.45 C +ATOM 4584 O HIS A 308 -16.309 15.986 -6.326 1.00 44.53 O +ATOM 4585 CB HIS A 308 -16.559 18.663 -7.755 1.00 48.81 C +ATOM 4586 CG HIS A 308 -15.166 19.225 -7.616 1.00 50.00 C +ATOM 4587 CD2 HIS A 308 -14.559 19.763 -6.499 1.00 51.40 C +ATOM 4588 ND1 HIS A 308 -14.259 19.255 -8.682 1.00 49.02 N +ATOM 4589 CE1 HIS A 308 -13.161 19.801 -8.178 1.00 50.89 C +ATOM 4590 NE2 HIS A 308 -13.283 20.122 -6.891 1.00 51.97 N +ATOM 4591 H HIS A 308 -18.637 17.138 -7.766 1.00 0.00 H +ATOM 4592 HA HIS A 308 -16.135 17.267 -9.326 1.00 0.00 H +ATOM 4593 HB3 HIS A 308 -17.044 18.687 -6.778 1.00 0.00 H +ATOM 4594 HB2 HIS A 308 -17.124 19.345 -8.392 1.00 0.00 H +ATOM 4595 HD2 HIS A 308 -14.918 19.907 -5.490 1.00 0.00 H +ATOM 4596 HE1 HIS A 308 -12.261 19.969 -8.751 1.00 0.00 H +ATOM 4597 HE2 HIS A 308 -12.569 20.552 -6.316 1.00 0.00 H +ATOM 4598 N VAL A 309 -14.746 15.722 -7.962 1.00 40.26 N +ATOM 4599 CA VAL A 309 -13.828 14.851 -7.232 1.00 35.27 C +ATOM 4600 C VAL A 309 -12.470 15.592 -7.174 1.00 31.25 C +ATOM 4601 O VAL A 309 -11.903 15.862 -8.237 1.00 30.60 O +ATOM 4602 CB VAL A 309 -13.632 13.494 -7.962 1.00 34.02 C +ATOM 4603 CG1 VAL A 309 -12.680 12.556 -7.192 1.00 31.38 C +ATOM 4604 CG2 VAL A 309 -14.971 12.769 -8.194 1.00 34.36 C +ATOM 4605 H VAL A 309 -14.452 15.991 -8.890 1.00 0.00 H +ATOM 4606 HA VAL A 309 -14.226 14.627 -6.246 1.00 0.00 H +ATOM 4607 HB VAL A 309 -13.201 13.673 -8.949 1.00 0.00 H +ATOM 4608 HG11 VAL A 309 -12.662 11.561 -7.634 1.00 0.00 H +ATOM 4609 HG12 VAL A 309 -11.655 12.926 -7.190 1.00 0.00 H +ATOM 4610 HG13 VAL A 309 -12.994 12.438 -6.155 1.00 0.00 H +ATOM 4611 HG21 VAL A 309 -14.819 11.838 -8.738 1.00 0.00 H +ATOM 4612 HG22 VAL A 309 -15.462 12.528 -7.251 1.00 0.00 H +ATOM 4613 HG23 VAL A 309 -15.665 13.368 -8.784 1.00 0.00 H +ATOM 4614 N PRO A 310 -12.001 15.972 -5.961 1.00 30.38 N +ATOM 4615 CA PRO A 310 -10.831 16.858 -5.794 1.00 29.30 C +ATOM 4616 C PRO A 310 -9.459 16.163 -5.966 1.00 28.73 C +ATOM 4617 O PRO A 310 -8.625 16.241 -5.066 1.00 27.93 O +ATOM 4618 CB PRO A 310 -11.057 17.439 -4.385 1.00 29.27 C +ATOM 4619 CG PRO A 310 -11.742 16.324 -3.618 1.00 29.44 C +ATOM 4620 CD PRO A 310 -12.658 15.720 -4.672 1.00 29.54 C +ATOM 4621 HA PRO A 310 -10.867 17.677 -6.514 1.00 0.00 H +ATOM 4622 HB3 PRO A 310 -11.729 18.292 -4.464 1.00 0.00 H +ATOM 4623 HB2 PRO A 310 -10.157 17.789 -3.882 1.00 0.00 H +ATOM 4624 HG3 PRO A 310 -12.274 16.669 -2.731 1.00 0.00 H +ATOM 4625 HG2 PRO A 310 -11.003 15.587 -3.300 1.00 0.00 H +ATOM 4626 HD2 PRO A 310 -12.826 14.661 -4.483 1.00 0.00 H +ATOM 4627 HD3 PRO A 310 -13.622 16.231 -4.661 1.00 0.00 H +ATOM 4628 N TYR A 311 -9.222 15.524 -7.127 1.00 28.68 N +ATOM 4629 CA TYR A 311 -7.940 14.905 -7.490 1.00 29.45 C +ATOM 4630 C TYR A 311 -6.762 15.890 -7.487 1.00 28.70 C +ATOM 4631 O TYR A 311 -5.687 15.521 -7.026 1.00 24.95 O +ATOM 4632 CB TYR A 311 -8.004 14.272 -8.893 1.00 31.49 C +ATOM 4633 CG TYR A 311 -9.018 13.170 -9.100 1.00 34.07 C +ATOM 4634 CD1 TYR A 311 -8.886 11.940 -8.423 1.00 35.28 C +ATOM 4635 CD2 TYR A 311 -10.060 13.352 -10.032 1.00 36.40 C +ATOM 4636 CE1 TYR A 311 -9.782 10.890 -8.698 1.00 36.88 C +ATOM 4637 CE2 TYR A 311 -10.946 12.299 -10.315 1.00 39.34 C +ATOM 4638 CZ TYR A 311 -10.801 11.066 -9.655 1.00 38.02 C +ATOM 4639 OH TYR A 311 -11.658 10.050 -9.951 1.00 38.99 O +ATOM 4640 H TYR A 311 -9.949 15.488 -7.829 1.00 0.00 H +ATOM 4641 HA TYR A 311 -7.733 14.123 -6.759 1.00 0.00 H +ATOM 4642 HB3 TYR A 311 -7.031 13.846 -9.145 1.00 0.00 H +ATOM 4643 HB2 TYR A 311 -8.180 15.051 -9.639 1.00 0.00 H +ATOM 4644 HD1 TYR A 311 -8.087 11.792 -7.711 1.00 0.00 H +ATOM 4645 HD2 TYR A 311 -10.167 14.290 -10.558 1.00 0.00 H +ATOM 4646 HE1 TYR A 311 -9.674 9.951 -8.180 1.00 0.00 H +ATOM 4647 HE2 TYR A 311 -11.732 12.438 -11.042 1.00 0.00 H +ATOM 4648 HH TYR A 311 -11.433 9.233 -9.487 1.00 0.00 H +ATOM 4649 N ARG A 312 -6.975 17.110 -8.007 1.00 28.58 N +ATOM 4650 CA ARG A 312 -5.929 18.121 -8.177 1.00 28.46 C +ATOM 4651 C ARG A 312 -5.470 18.819 -6.886 1.00 24.21 C +ATOM 4652 O ARG A 312 -4.461 19.524 -6.934 1.00 25.31 O +ATOM 4653 CB ARG A 312 -6.338 19.123 -9.271 1.00 35.11 C +ATOM 4654 CG ARG A 312 -6.405 18.461 -10.657 1.00 41.09 C +ATOM 4655 CD ARG A 312 -6.614 19.472 -11.791 1.00 45.95 C +ATOM 4656 NE ARG A 312 -6.335 18.869 -13.100 1.00 49.55 N +ATOM 4657 CZ ARG A 312 -5.106 18.637 -13.591 1.00 51.02 C +ATOM 4658 NH1 ARG A 312 -4.006 18.961 -12.896 1.00 53.12 N +ATOM 4659 NH2 ARG A 312 -4.971 18.076 -14.799 1.00 51.89 N1+ +ATOM 4660 H ARG A 312 -7.894 17.350 -8.358 1.00 0.00 H +ATOM 4661 HA ARG A 312 -5.049 17.610 -8.552 1.00 0.00 H +ATOM 4662 HB3 ARG A 312 -5.588 19.914 -9.320 1.00 0.00 H +ATOM 4663 HB2 ARG A 312 -7.282 19.612 -9.026 1.00 0.00 H +ATOM 4664 HG3 ARG A 312 -7.255 17.779 -10.642 1.00 0.00 H +ATOM 4665 HG2 ARG A 312 -5.528 17.844 -10.856 1.00 0.00 H +ATOM 4666 HD3 ARG A 312 -6.117 20.429 -11.632 1.00 0.00 H +ATOM 4667 HD2 ARG A 312 -7.682 19.688 -11.835 1.00 0.00 H +ATOM 4668 HE ARG A 312 -7.139 18.576 -13.638 1.00 0.00 H +ATOM 4669 HH12 ARG A 312 -3.088 18.826 -13.315 1.00 0.00 H +ATOM 4670 HH11 ARG A 312 -4.083 19.404 -11.994 1.00 0.00 H +ATOM 4671 HH22 ARG A 312 -4.046 17.951 -15.188 1.00 0.00 H +ATOM 4672 HH21 ARG A 312 -5.779 17.817 -15.344 1.00 0.00 H +ATOM 4673 N GLU A 313 -6.168 18.599 -5.759 1.00 23.86 N +ATOM 4674 CA GLU A 313 -5.846 19.217 -4.472 1.00 23.27 C +ATOM 4675 C GLU A 313 -4.643 18.597 -3.729 1.00 22.41 C +ATOM 4676 O GLU A 313 -4.266 19.151 -2.699 1.00 20.21 O +ATOM 4677 CB GLU A 313 -7.111 19.311 -3.595 1.00 23.76 C +ATOM 4678 CG GLU A 313 -8.194 20.216 -4.220 1.00 28.94 C +ATOM 4679 CD GLU A 313 -9.408 20.467 -3.322 1.00 31.02 C +ATOM 4680 OE1 GLU A 313 -10.483 20.738 -3.900 1.00 28.97 O +ATOM 4681 OE2 GLU A 313 -9.256 20.400 -2.084 1.00 31.90 O1- +ATOM 4682 H GLU A 313 -6.973 17.987 -5.775 1.00 0.00 H +ATOM 4683 HA GLU A 313 -5.541 20.246 -4.674 1.00 0.00 H +ATOM 4684 HB3 GLU A 313 -6.842 19.690 -2.608 1.00 0.00 H +ATOM 4685 HB2 GLU A 313 -7.526 18.316 -3.435 1.00 0.00 H +ATOM 4686 HG3 GLU A 313 -8.544 19.779 -5.156 1.00 0.00 H +ATOM 4687 HG2 GLU A 313 -7.767 21.188 -4.470 1.00 0.00 H +ATOM 4688 N SER A 314 -4.020 17.525 -4.254 1.00 21.60 N +ATOM 4689 CA SER A 314 -2.771 16.981 -3.708 1.00 21.14 C +ATOM 4690 C SER A 314 -1.949 16.232 -4.759 1.00 20.47 C +ATOM 4691 O SER A 314 -2.494 15.779 -5.764 1.00 20.55 O +ATOM 4692 CB SER A 314 -3.046 16.095 -2.477 1.00 20.33 C +ATOM 4693 OG SER A 314 -3.458 14.780 -2.810 1.00 17.31 O +ATOM 4694 H SER A 314 -4.357 17.103 -5.108 1.00 0.00 H +ATOM 4695 HA SER A 314 -2.164 17.829 -3.388 1.00 0.00 H +ATOM 4696 HB3 SER A 314 -3.766 16.555 -1.807 1.00 0.00 H +ATOM 4697 HB2 SER A 314 -2.124 16.014 -1.904 1.00 0.00 H +ATOM 4698 HG SER A 314 -4.285 14.825 -3.303 1.00 0.00 H +ATOM 4699 N LYS A 315 -0.651 16.070 -4.453 1.00 21.93 N +ATOM 4700 CA LYS A 315 0.313 15.287 -5.226 1.00 24.01 C +ATOM 4701 C LYS A 315 -0.087 13.805 -5.358 1.00 23.64 C +ATOM 4702 O LYS A 315 -0.049 13.286 -6.471 1.00 23.92 O +ATOM 4703 CB LYS A 315 1.715 15.416 -4.587 1.00 25.23 C +ATOM 4704 CG LYS A 315 2.279 16.848 -4.512 1.00 30.47 C +ATOM 4705 CD LYS A 315 2.617 17.467 -5.875 1.00 34.06 C +ATOM 4706 CE LYS A 315 3.056 18.931 -5.770 1.00 40.37 C +ATOM 4707 NZ LYS A 315 3.434 19.470 -7.087 1.00 44.85 N1+ +ATOM 4708 H LYS A 315 -0.300 16.479 -3.595 1.00 0.00 H +ATOM 4709 HA LYS A 315 0.339 15.702 -6.234 1.00 0.00 H +ATOM 4710 HB3 LYS A 315 2.426 14.789 -5.126 1.00 0.00 H +ATOM 4711 HB2 LYS A 315 1.677 15.017 -3.571 1.00 0.00 H +ATOM 4712 HG3 LYS A 315 3.183 16.827 -3.903 1.00 0.00 H +ATOM 4713 HG2 LYS A 315 1.585 17.499 -3.984 1.00 0.00 H +ATOM 4714 HD3 LYS A 315 1.758 17.404 -6.542 1.00 0.00 H +ATOM 4715 HD2 LYS A 315 3.420 16.886 -6.330 1.00 0.00 H +ATOM 4716 HE3 LYS A 315 3.907 19.029 -5.097 1.00 0.00 H +ATOM 4717 HE2 LYS A 315 2.246 19.535 -5.360 1.00 0.00 H +ATOM 4718 HZ1 LYS A 315 2.671 19.352 -7.736 1.00 0.00 H +ATOM 4719 HZ2 LYS A 315 3.658 20.450 -6.996 1.00 0.00 H +ATOM 4720 HZ3 LYS A 315 4.251 18.977 -7.423 1.00 0.00 H +ATOM 4721 N LEU A 316 -0.491 13.172 -4.240 1.00 22.60 N +ATOM 4722 CA LEU A 316 -0.875 11.758 -4.166 1.00 21.91 C +ATOM 4723 C LEU A 316 -2.042 11.394 -5.096 1.00 21.21 C +ATOM 4724 O LEU A 316 -1.913 10.457 -5.881 1.00 22.09 O +ATOM 4725 CB LEU A 316 -1.196 11.386 -2.700 1.00 22.01 C +ATOM 4726 CG LEU A 316 -1.528 9.899 -2.440 1.00 23.74 C +ATOM 4727 CD1 LEU A 316 -0.320 8.989 -2.729 1.00 23.65 C +ATOM 4728 CD2 LEU A 316 -2.052 9.693 -1.009 1.00 21.42 C +ATOM 4729 H LEU A 316 -0.516 13.680 -3.366 1.00 0.00 H +ATOM 4730 HA LEU A 316 -0.007 11.181 -4.489 1.00 0.00 H +ATOM 4731 HB3 LEU A 316 -2.025 12.007 -2.357 1.00 0.00 H +ATOM 4732 HB2 LEU A 316 -0.347 11.650 -2.073 1.00 0.00 H +ATOM 4733 HG LEU A 316 -2.341 9.593 -3.100 1.00 0.00 H +ATOM 4734 HD11 LEU A 316 -0.418 8.019 -2.240 1.00 0.00 H +ATOM 4735 HD12 LEU A 316 -0.216 8.807 -3.798 1.00 0.00 H +ATOM 4736 HD13 LEU A 316 0.611 9.438 -2.383 1.00 0.00 H +ATOM 4737 HD21 LEU A 316 -2.968 9.101 -1.006 1.00 0.00 H +ATOM 4738 HD22 LEU A 316 -1.321 9.176 -0.394 1.00 0.00 H +ATOM 4739 HD23 LEU A 316 -2.275 10.633 -0.506 1.00 0.00 H +ATOM 4740 N THR A 317 -3.147 12.143 -4.982 1.00 20.82 N +ATOM 4741 CA THR A 317 -4.384 11.899 -5.721 1.00 21.01 C +ATOM 4742 C THR A 317 -4.346 12.388 -7.187 1.00 22.51 C +ATOM 4743 O THR A 317 -5.184 11.932 -7.961 1.00 24.89 O +ATOM 4744 CB THR A 317 -5.586 12.550 -4.998 1.00 20.28 C +ATOM 4745 CG2 THR A 317 -5.841 11.950 -3.610 1.00 21.44 C +ATOM 4746 OG1 THR A 317 -5.401 13.941 -4.833 1.00 19.26 O +ATOM 4747 H THR A 317 -3.172 12.907 -4.320 1.00 0.00 H +ATOM 4748 HA THR A 317 -4.557 10.821 -5.751 1.00 0.00 H +ATOM 4749 HB THR A 317 -6.486 12.405 -5.597 1.00 0.00 H +ATOM 4750 HG21 THR A 317 -6.743 12.371 -3.171 1.00 0.00 H +ATOM 4751 HG22 THR A 317 -5.985 10.872 -3.676 1.00 0.00 H +ATOM 4752 HG23 THR A 317 -5.015 12.136 -2.922 1.00 0.00 H +ATOM 4753 HG1 THR A 317 -5.419 14.368 -5.698 1.00 0.00 H +ATOM 4754 N ARG A 318 -3.368 13.234 -7.568 1.00 24.39 N +ATOM 4755 CA ARG A 318 -3.041 13.522 -8.972 1.00 24.64 C +ATOM 4756 C ARG A 318 -2.314 12.337 -9.622 1.00 24.75 C +ATOM 4757 O ARG A 318 -2.708 11.911 -10.707 1.00 22.73 O +ATOM 4758 CB ARG A 318 -2.157 14.780 -9.082 1.00 26.49 C +ATOM 4759 CG ARG A 318 -2.929 16.082 -8.872 1.00 30.67 C +ATOM 4760 CD ARG A 318 -2.040 17.327 -8.803 1.00 32.24 C +ATOM 4761 NE ARG A 318 -1.456 17.668 -10.106 1.00 37.00 N +ATOM 4762 CZ ARG A 318 -0.459 18.548 -10.292 1.00 39.39 C +ATOM 4763 NH1 ARG A 318 0.090 19.205 -9.259 1.00 42.30 N +ATOM 4764 NH2 ARG A 318 -0.013 18.785 -11.534 1.00 40.43 N1+ +ATOM 4765 H ARG A 318 -2.726 13.595 -6.875 1.00 0.00 H +ATOM 4766 HA ARG A 318 -3.970 13.699 -9.519 1.00 0.00 H +ATOM 4767 HB3 ARG A 318 -1.696 14.826 -10.070 1.00 0.00 H +ATOM 4768 HB2 ARG A 318 -1.339 14.712 -8.364 1.00 0.00 H +ATOM 4769 HG3 ARG A 318 -3.539 16.045 -7.979 1.00 0.00 H +ATOM 4770 HG2 ARG A 318 -3.620 16.178 -9.710 1.00 0.00 H +ATOM 4771 HD3 ARG A 318 -1.187 17.082 -8.169 1.00 0.00 H +ATOM 4772 HD2 ARG A 318 -2.544 18.169 -8.329 1.00 0.00 H +ATOM 4773 HE ARG A 318 -1.859 17.214 -10.914 1.00 0.00 H +ATOM 4774 HH12 ARG A 318 0.801 19.902 -9.421 1.00 0.00 H +ATOM 4775 HH11 ARG A 318 -0.270 19.064 -8.323 1.00 0.00 H +ATOM 4776 HH22 ARG A 318 0.736 19.441 -11.695 1.00 0.00 H +ATOM 4777 HH21 ARG A 318 -0.459 18.352 -12.340 1.00 0.00 H +ATOM 4778 N ILE A 319 -1.272 11.833 -8.939 1.00 24.38 N +ATOM 4779 CA ILE A 319 -0.437 10.712 -9.375 1.00 25.59 C +ATOM 4780 C ILE A 319 -1.214 9.381 -9.466 1.00 25.42 C +ATOM 4781 O ILE A 319 -0.948 8.598 -10.379 1.00 25.60 O +ATOM 4782 CB ILE A 319 0.809 10.559 -8.445 1.00 26.11 C +ATOM 4783 CG1 ILE A 319 1.770 11.757 -8.638 1.00 27.58 C +ATOM 4784 CG2 ILE A 319 1.598 9.236 -8.589 1.00 26.26 C +ATOM 4785 CD1 ILE A 319 2.724 12.013 -7.461 1.00 29.91 C +ATOM 4786 H ILE A 319 -1.015 12.251 -8.054 1.00 0.00 H +ATOM 4787 HA ILE A 319 -0.085 10.944 -10.383 1.00 0.00 H +ATOM 4788 HB ILE A 319 0.447 10.601 -7.416 1.00 0.00 H +ATOM 4789 HG13 ILE A 319 1.201 12.671 -8.798 1.00 0.00 H +ATOM 4790 HG12 ILE A 319 2.348 11.619 -9.552 1.00 0.00 H +ATOM 4791 HG21 ILE A 319 2.489 9.236 -7.963 1.00 0.00 H +ATOM 4792 HG22 ILE A 319 1.013 8.370 -8.283 1.00 0.00 H +ATOM 4793 HG23 ILE A 319 1.921 9.079 -9.618 1.00 0.00 H +ATOM 4794 HD11 ILE A 319 3.753 12.066 -7.810 1.00 0.00 H +ATOM 4795 HD12 ILE A 319 2.505 12.967 -6.984 1.00 0.00 H +ATOM 4796 HD13 ILE A 319 2.659 11.243 -6.692 1.00 0.00 H +ATOM 4797 N LEU A 320 -2.174 9.180 -8.549 1.00 23.39 N +ATOM 4798 CA LEU A 320 -3.008 7.984 -8.437 1.00 23.27 C +ATOM 4799 C LEU A 320 -4.478 8.267 -8.805 1.00 22.23 C +ATOM 4800 O LEU A 320 -5.358 7.568 -8.301 1.00 18.72 O +ATOM 4801 CB LEU A 320 -2.883 7.410 -7.005 1.00 23.58 C +ATOM 4802 CG LEU A 320 -1.462 6.971 -6.593 1.00 25.87 C +ATOM 4803 CD1 LEU A 320 -1.449 6.584 -5.109 1.00 25.90 C +ATOM 4804 CD2 LEU A 320 -0.906 5.831 -7.471 1.00 25.98 C +ATOM 4805 H LEU A 320 -2.312 9.875 -7.826 1.00 0.00 H +ATOM 4806 HA LEU A 320 -2.667 7.226 -9.141 1.00 0.00 H +ATOM 4807 HB3 LEU A 320 -3.535 6.543 -6.890 1.00 0.00 H +ATOM 4808 HB2 LEU A 320 -3.255 8.152 -6.297 1.00 0.00 H +ATOM 4809 HG LEU A 320 -0.796 7.829 -6.690 1.00 0.00 H +ATOM 4810 HD11 LEU A 320 -0.432 6.538 -4.721 1.00 0.00 H +ATOM 4811 HD12 LEU A 320 -2.005 7.298 -4.501 1.00 0.00 H +ATOM 4812 HD13 LEU A 320 -1.911 5.611 -4.962 1.00 0.00 H +ATOM 4813 HD21 LEU A 320 -0.456 5.037 -6.873 1.00 0.00 H +ATOM 4814 HD22 LEU A 320 -1.680 5.367 -8.082 1.00 0.00 H +ATOM 4815 HD23 LEU A 320 -0.134 6.199 -8.146 1.00 0.00 H +ATOM 4816 N GLN A 321 -4.738 9.253 -9.687 1.00 21.93 N +ATOM 4817 CA GLN A 321 -6.084 9.587 -10.178 1.00 25.12 C +ATOM 4818 C GLN A 321 -6.826 8.396 -10.816 1.00 23.77 C +ATOM 4819 O GLN A 321 -8.009 8.204 -10.535 1.00 25.82 O +ATOM 4820 CB GLN A 321 -6.036 10.831 -11.105 1.00 25.91 C +ATOM 4821 CG GLN A 321 -7.362 11.108 -11.859 1.00 35.95 C +ATOM 4822 CD GLN A 321 -7.508 12.471 -12.537 1.00 39.40 C +ATOM 4823 NE2 GLN A 321 -6.462 13.295 -12.577 1.00 41.83 N +ATOM 4824 OE1 GLN A 321 -8.584 12.779 -13.043 1.00 43.71 O +ATOM 4825 H GLN A 321 -3.975 9.794 -10.070 1.00 0.00 H +ATOM 4826 HA GLN A 321 -6.666 9.871 -9.299 1.00 0.00 H +ATOM 4827 HB3 GLN A 321 -5.229 10.720 -11.831 1.00 0.00 H +ATOM 4828 HB2 GLN A 321 -5.776 11.697 -10.496 1.00 0.00 H +ATOM 4829 HG3 GLN A 321 -8.197 11.010 -11.166 1.00 0.00 H +ATOM 4830 HG2 GLN A 321 -7.510 10.354 -12.633 1.00 0.00 H +ATOM 4831 HE22 GLN A 321 -6.544 14.189 -13.037 1.00 0.00 H +ATOM 4832 HE21 GLN A 321 -5.567 13.027 -12.191 1.00 0.00 H +ATOM 4833 N ASP A 322 -6.109 7.608 -11.635 1.00 25.83 N +ATOM 4834 CA ASP A 322 -6.651 6.450 -12.344 1.00 27.25 C +ATOM 4835 C ASP A 322 -6.962 5.254 -11.411 1.00 28.86 C +ATOM 4836 O ASP A 322 -7.808 4.433 -11.759 1.00 28.79 O +ATOM 4837 CB ASP A 322 -5.727 6.032 -13.508 1.00 28.99 C +ATOM 4838 CG ASP A 322 -6.424 5.171 -14.565 1.00 32.05 C +ATOM 4839 OD1 ASP A 322 -7.508 5.592 -15.024 1.00 27.75 O +ATOM 4840 OD2 ASP A 322 -5.830 4.141 -14.948 1.00 31.15 O1- +ATOM 4841 H ASP A 322 -5.132 7.819 -11.803 1.00 0.00 H +ATOM 4842 HA ASP A 322 -7.599 6.784 -12.761 1.00 0.00 H +ATOM 4843 HB3 ASP A 322 -4.874 5.479 -13.112 1.00 0.00 H +ATOM 4844 HB2 ASP A 322 -5.313 6.908 -14.008 1.00 0.00 H +ATOM 4845 N SER A 323 -6.312 5.187 -10.237 1.00 28.11 N +ATOM 4846 CA SER A 323 -6.574 4.182 -9.199 1.00 26.92 C +ATOM 4847 C SER A 323 -7.849 4.470 -8.384 1.00 28.99 C +ATOM 4848 O SER A 323 -8.328 3.586 -7.677 1.00 30.38 O +ATOM 4849 CB SER A 323 -5.362 4.115 -8.254 1.00 24.83 C +ATOM 4850 OG SER A 323 -4.216 3.694 -8.958 1.00 25.15 O +ATOM 4851 H SER A 323 -5.639 5.903 -10.002 1.00 0.00 H +ATOM 4852 HA SER A 323 -6.705 3.204 -9.661 1.00 0.00 H +ATOM 4853 HB3 SER A 323 -5.539 3.398 -7.452 1.00 0.00 H +ATOM 4854 HB2 SER A 323 -5.166 5.074 -7.779 1.00 0.00 H +ATOM 4855 HG SER A 323 -3.954 4.386 -9.577 1.00 0.00 H +ATOM 4856 N LEU A 324 -8.370 5.699 -8.471 1.00 28.47 N +ATOM 4857 CA LEU A 324 -9.477 6.180 -7.659 1.00 29.95 C +ATOM 4858 C LEU A 324 -10.629 6.544 -8.600 1.00 32.13 C +ATOM 4859 O LEU A 324 -10.800 7.714 -8.928 1.00 30.55 O +ATOM 4860 CB LEU A 324 -8.964 7.380 -6.828 1.00 26.21 C +ATOM 4861 CG LEU A 324 -7.898 7.015 -5.768 1.00 28.34 C +ATOM 4862 CD1 LEU A 324 -7.267 8.283 -5.166 1.00 24.74 C +ATOM 4863 CD2 LEU A 324 -8.435 6.060 -4.681 1.00 26.31 C +ATOM 4864 H LEU A 324 -7.939 6.380 -9.082 1.00 0.00 H +ATOM 4865 HA LEU A 324 -9.851 5.413 -6.979 1.00 0.00 H +ATOM 4866 HB3 LEU A 324 -9.799 7.872 -6.329 1.00 0.00 H +ATOM 4867 HB2 LEU A 324 -8.539 8.117 -7.510 1.00 0.00 H +ATOM 4868 HG LEU A 324 -7.085 6.499 -6.278 1.00 0.00 H +ATOM 4869 HD11 LEU A 324 -6.221 8.111 -4.906 1.00 0.00 H +ATOM 4870 HD12 LEU A 324 -7.288 9.121 -5.862 1.00 0.00 H +ATOM 4871 HD13 LEU A 324 -7.788 8.604 -4.265 1.00 0.00 H +ATOM 4872 HD21 LEU A 324 -8.146 6.375 -3.678 1.00 0.00 H +ATOM 4873 HD22 LEU A 324 -9.523 5.994 -4.694 1.00 0.00 H +ATOM 4874 HD23 LEU A 324 -8.043 5.053 -4.826 1.00 0.00 H +ATOM 4875 N GLY A 325 -11.395 5.530 -9.030 1.00 33.04 N +ATOM 4876 CA GLY A 325 -12.556 5.703 -9.904 1.00 35.57 C +ATOM 4877 C GLY A 325 -12.198 5.719 -11.401 1.00 36.92 C +ATOM 4878 O GLY A 325 -13.065 6.039 -12.215 1.00 37.76 O +ATOM 4879 H GLY A 325 -11.200 4.588 -8.720 1.00 0.00 H +ATOM 4880 HA3 GLY A 325 -13.102 6.612 -9.653 1.00 0.00 H +ATOM 4881 HA2 GLY A 325 -13.232 4.876 -9.715 1.00 0.00 H +ATOM 4882 N GLY A 326 -10.948 5.389 -11.769 1.00 36.99 N +ATOM 4883 CA GLY A 326 -10.477 5.350 -13.153 1.00 35.83 C +ATOM 4884 C GLY A 326 -10.485 3.911 -13.681 1.00 36.25 C +ATOM 4885 O GLY A 326 -11.338 3.106 -13.311 1.00 36.30 O +ATOM 4886 H GLY A 326 -10.282 5.125 -11.057 1.00 0.00 H +ATOM 4887 HA3 GLY A 326 -9.475 5.763 -13.198 1.00 0.00 H +ATOM 4888 HA2 GLY A 326 -11.085 5.971 -13.809 1.00 0.00 H +ATOM 4889 N ARG A 327 -9.550 3.621 -14.599 1.00 34.63 N +ATOM 4890 CA ARG A 327 -9.452 2.375 -15.365 1.00 36.55 C +ATOM 4891 C ARG A 327 -8.391 1.389 -14.839 1.00 36.94 C +ATOM 4892 O ARG A 327 -8.062 0.437 -15.547 1.00 38.93 O +ATOM 4893 CB ARG A 327 -9.196 2.725 -16.844 1.00 38.14 C +ATOM 4894 CG ARG A 327 -10.348 3.499 -17.501 1.00 42.41 C +ATOM 4895 CD ARG A 327 -10.095 3.711 -18.997 1.00 46.96 C +ATOM 4896 NE ARG A 327 -11.161 4.506 -19.617 1.00 51.13 N +ATOM 4897 CZ ARG A 327 -11.181 4.900 -20.901 1.00 54.30 C +ATOM 4898 NH1 ARG A 327 -10.166 4.619 -21.731 1.00 55.38 N +ATOM 4899 NH2 ARG A 327 -12.234 5.587 -21.363 1.00 54.29 N1+ +ATOM 4900 H ARG A 327 -8.860 4.327 -14.834 1.00 0.00 H +ATOM 4901 HA ARG A 327 -10.405 1.853 -15.308 1.00 0.00 H +ATOM 4902 HB3 ARG A 327 -9.048 1.811 -17.421 1.00 0.00 H +ATOM 4903 HB2 ARG A 327 -8.270 3.296 -16.932 1.00 0.00 H +ATOM 4904 HG3 ARG A 327 -10.544 4.449 -17.003 1.00 0.00 H +ATOM 4905 HG2 ARG A 327 -11.251 2.898 -17.389 1.00 0.00 H +ATOM 4906 HD3 ARG A 327 -10.104 2.745 -19.503 1.00 0.00 H +ATOM 4907 HD2 ARG A 327 -9.113 4.154 -19.167 1.00 0.00 H +ATOM 4908 HE ARG A 327 -11.948 4.729 -19.027 1.00 0.00 H +ATOM 4909 HH12 ARG A 327 -10.189 4.916 -22.696 1.00 0.00 H +ATOM 4910 HH11 ARG A 327 -9.368 4.100 -21.393 1.00 0.00 H +ATOM 4911 HH22 ARG A 327 -12.264 5.885 -22.327 1.00 0.00 H +ATOM 4912 HH21 ARG A 327 -13.011 5.805 -20.758 1.00 0.00 H +ATOM 4913 N THR A 328 -7.877 1.606 -13.622 1.00 34.16 N +ATOM 4914 CA THR A 328 -6.948 0.695 -12.952 1.00 31.72 C +ATOM 4915 C THR A 328 -7.737 -0.168 -11.951 1.00 30.02 C +ATOM 4916 O THR A 328 -8.600 0.363 -11.252 1.00 30.34 O +ATOM 4917 CB THR A 328 -5.887 1.528 -12.187 1.00 31.13 C +ATOM 4918 CG2 THR A 328 -5.022 0.798 -11.151 1.00 28.96 C +ATOM 4919 OG1 THR A 328 -5.012 2.111 -13.131 1.00 32.46 O +ATOM 4920 H THR A 328 -8.177 2.411 -13.089 1.00 0.00 H +ATOM 4921 HA THR A 328 -6.444 0.047 -13.671 1.00 0.00 H +ATOM 4922 HB THR A 328 -6.383 2.347 -11.677 1.00 0.00 H +ATOM 4923 HG21 THR A 328 -4.223 1.450 -10.803 1.00 0.00 H +ATOM 4924 HG22 THR A 328 -5.594 0.494 -10.276 1.00 0.00 H +ATOM 4925 HG23 THR A 328 -4.559 -0.083 -11.580 1.00 0.00 H +ATOM 4926 HG1 THR A 328 -5.512 2.718 -13.691 1.00 0.00 H +ATOM 4927 N ARG A 329 -7.420 -1.475 -11.877 1.00 29.31 N +ATOM 4928 CA ARG A 329 -7.954 -2.370 -10.844 1.00 29.30 C +ATOM 4929 C ARG A 329 -7.306 -2.033 -9.495 1.00 26.80 C +ATOM 4930 O ARG A 329 -6.085 -2.113 -9.389 1.00 29.25 O +ATOM 4931 CB ARG A 329 -7.706 -3.845 -11.231 1.00 30.11 C +ATOM 4932 CG ARG A 329 -8.141 -4.840 -10.135 1.00 31.58 C +ATOM 4933 CD ARG A 329 -7.903 -6.309 -10.486 1.00 32.48 C +ATOM 4934 NE ARG A 329 -8.166 -7.172 -9.327 1.00 36.20 N +ATOM 4935 CZ ARG A 329 -8.276 -8.510 -9.340 1.00 37.53 C +ATOM 4936 NH1 ARG A 329 -8.128 -9.215 -10.470 1.00 35.50 N +ATOM 4937 NH2 ARG A 329 -8.544 -9.151 -8.195 1.00 37.85 N1+ +ATOM 4938 H ARG A 329 -6.700 -1.855 -12.476 1.00 0.00 H +ATOM 4939 HA ARG A 329 -9.033 -2.216 -10.774 1.00 0.00 H +ATOM 4940 HB3 ARG A 329 -6.647 -3.987 -11.437 1.00 0.00 H +ATOM 4941 HB2 ARG A 329 -8.229 -4.071 -12.161 1.00 0.00 H +ATOM 4942 HG3 ARG A 329 -9.214 -4.694 -10.006 1.00 0.00 H +ATOM 4943 HG2 ARG A 329 -7.687 -4.633 -9.168 1.00 0.00 H +ATOM 4944 HD3 ARG A 329 -6.931 -6.485 -10.947 1.00 0.00 H +ATOM 4945 HD2 ARG A 329 -8.669 -6.588 -11.208 1.00 0.00 H +ATOM 4946 HE ARG A 329 -8.227 -6.689 -8.435 1.00 0.00 H +ATOM 4947 HH12 ARG A 329 -8.182 -10.222 -10.466 1.00 0.00 H +ATOM 4948 HH11 ARG A 329 -7.943 -8.743 -11.355 1.00 0.00 H +ATOM 4949 HH22 ARG A 329 -8.606 -10.159 -8.177 1.00 0.00 H +ATOM 4950 HH21 ARG A 329 -8.671 -8.636 -7.334 1.00 0.00 H +ATOM 4951 N THR A 330 -8.117 -1.685 -8.488 1.00 27.34 N +ATOM 4952 CA THR A 330 -7.595 -1.210 -7.211 1.00 27.33 C +ATOM 4953 C THR A 330 -8.094 -2.053 -6.033 1.00 28.41 C +ATOM 4954 O THR A 330 -9.273 -2.396 -5.961 1.00 25.07 O +ATOM 4955 CB THR A 330 -7.922 0.283 -6.992 1.00 28.09 C +ATOM 4956 CG2 THR A 330 -7.503 0.870 -5.632 1.00 25.58 C +ATOM 4957 OG1 THR A 330 -7.233 0.993 -8.002 1.00 26.38 O +ATOM 4958 H THR A 330 -9.121 -1.657 -8.613 1.00 0.00 H +ATOM 4959 HA THR A 330 -6.514 -1.272 -7.210 1.00 0.00 H +ATOM 4960 HB THR A 330 -8.986 0.454 -7.142 1.00 0.00 H +ATOM 4961 HG21 THR A 330 -7.680 1.944 -5.603 1.00 0.00 H +ATOM 4962 HG22 THR A 330 -8.065 0.437 -4.805 1.00 0.00 H +ATOM 4963 HG23 THR A 330 -6.442 0.700 -5.442 1.00 0.00 H +ATOM 4964 HG1 THR A 330 -6.291 0.939 -7.826 1.00 0.00 H +ATOM 4965 N SER A 331 -7.144 -2.336 -5.131 1.00 29.22 N +ATOM 4966 CA SER A 331 -7.344 -2.988 -3.846 1.00 28.06 C +ATOM 4967 C SER A 331 -6.853 -2.071 -2.716 1.00 27.09 C +ATOM 4968 O SER A 331 -5.986 -1.228 -2.947 1.00 26.08 O +ATOM 4969 CB SER A 331 -6.563 -4.318 -3.824 1.00 30.03 C +ATOM 4970 OG SER A 331 -7.301 -5.338 -4.456 1.00 34.99 O +ATOM 4971 H SER A 331 -6.198 -2.021 -5.306 1.00 0.00 H +ATOM 4972 HA SER A 331 -8.405 -3.163 -3.700 1.00 0.00 H +ATOM 4973 HB3 SER A 331 -6.382 -4.649 -2.800 1.00 0.00 H +ATOM 4974 HB2 SER A 331 -5.587 -4.216 -4.298 1.00 0.00 H +ATOM 4975 HG SER A 331 -8.041 -5.565 -3.887 1.00 0.00 H +ATOM 4976 N ILE A 332 -7.399 -2.269 -1.506 1.00 26.63 N +ATOM 4977 CA ILE A 332 -6.962 -1.583 -0.290 1.00 25.76 C +ATOM 4978 C ILE A 332 -6.817 -2.628 0.828 1.00 25.56 C +ATOM 4979 O ILE A 332 -7.770 -3.356 1.099 1.00 25.03 O +ATOM 4980 CB ILE A 332 -7.969 -0.483 0.179 1.00 25.98 C +ATOM 4981 CG1 ILE A 332 -8.203 0.593 -0.912 1.00 25.58 C +ATOM 4982 CG2 ILE A 332 -7.547 0.189 1.511 1.00 24.93 C +ATOM 4983 CD1 ILE A 332 -9.309 1.601 -0.577 1.00 24.29 C +ATOM 4984 H ILE A 332 -8.118 -2.972 -1.387 1.00 0.00 H +ATOM 4985 HA ILE A 332 -5.987 -1.122 -0.446 1.00 0.00 H +ATOM 4986 HB ILE A 332 -8.930 -0.969 0.355 1.00 0.00 H +ATOM 4987 HG13 ILE A 332 -8.470 0.123 -1.858 1.00 0.00 H +ATOM 4988 HG12 ILE A 332 -7.283 1.140 -1.104 1.00 0.00 H +ATOM 4989 HG21 ILE A 332 -8.258 0.954 1.821 1.00 0.00 H +ATOM 4990 HG22 ILE A 332 -7.496 -0.517 2.340 1.00 0.00 H +ATOM 4991 HG23 ILE A 332 -6.570 0.665 1.421 1.00 0.00 H +ATOM 4992 HD11 ILE A 332 -9.695 2.072 -1.482 1.00 0.00 H +ATOM 4993 HD12 ILE A 332 -10.144 1.115 -0.073 1.00 0.00 H +ATOM 4994 HD13 ILE A 332 -8.941 2.398 0.069 1.00 0.00 H +ATOM 4995 N ILE A 333 -5.642 -2.657 1.474 1.00 23.67 N +ATOM 4996 CA ILE A 333 -5.373 -3.478 2.651 1.00 22.02 C +ATOM 4997 C ILE A 333 -5.373 -2.552 3.882 1.00 22.07 C +ATOM 4998 O ILE A 333 -4.419 -1.807 4.101 1.00 19.54 O +ATOM 4999 CB ILE A 333 -4.019 -4.247 2.571 1.00 22.12 C +ATOM 5000 CG1 ILE A 333 -3.907 -5.076 1.265 1.00 19.60 C +ATOM 5001 CG2 ILE A 333 -3.827 -5.155 3.812 1.00 21.06 C +ATOM 5002 CD1 ILE A 333 -2.525 -5.698 1.022 1.00 20.16 C +ATOM 5003 H ILE A 333 -4.888 -2.048 1.178 1.00 0.00 H +ATOM 5004 HA ILE A 333 -6.156 -4.224 2.778 1.00 0.00 H +ATOM 5005 HB ILE A 333 -3.205 -3.519 2.559 1.00 0.00 H +ATOM 5006 HG13 ILE A 333 -4.137 -4.452 0.401 1.00 0.00 H +ATOM 5007 HG12 ILE A 333 -4.654 -5.868 1.264 1.00 0.00 H +ATOM 5008 HG21 ILE A 333 -2.949 -5.788 3.734 1.00 0.00 H +ATOM 5009 HG22 ILE A 333 -3.709 -4.576 4.728 1.00 0.00 H +ATOM 5010 HG23 ILE A 333 -4.679 -5.819 3.952 1.00 0.00 H +ATOM 5011 HD11 ILE A 333 -2.419 -6.009 -0.017 1.00 0.00 H +ATOM 5012 HD12 ILE A 333 -1.725 -4.990 1.236 1.00 0.00 H +ATOM 5013 HD13 ILE A 333 -2.370 -6.586 1.637 1.00 0.00 H +ATOM 5014 N ALA A 334 -6.470 -2.608 4.649 1.00 19.22 N +ATOM 5015 CA ALA A 334 -6.680 -1.842 5.871 1.00 21.48 C +ATOM 5016 C ALA A 334 -6.086 -2.586 7.077 1.00 23.05 C +ATOM 5017 O ALA A 334 -6.676 -3.552 7.554 1.00 22.81 O +ATOM 5018 CB ALA A 334 -8.185 -1.595 6.033 1.00 20.70 C +ATOM 5019 H ALA A 334 -7.210 -3.256 4.404 1.00 0.00 H +ATOM 5020 HA ALA A 334 -6.210 -0.865 5.772 1.00 0.00 H +ATOM 5021 HB1 ALA A 334 -8.409 -1.060 6.956 1.00 0.00 H +ATOM 5022 HB2 ALA A 334 -8.561 -0.994 5.205 1.00 0.00 H +ATOM 5023 HB3 ALA A 334 -8.749 -2.528 6.037 1.00 0.00 H +ATOM 5024 N THR A 335 -4.914 -2.141 7.541 1.00 22.98 N +ATOM 5025 CA THR A 335 -4.189 -2.752 8.651 1.00 22.61 C +ATOM 5026 C THR A 335 -4.632 -2.136 9.997 1.00 23.15 C +ATOM 5027 O THR A 335 -4.799 -0.920 10.079 1.00 20.17 O +ATOM 5028 CB THR A 335 -2.662 -2.587 8.448 1.00 24.16 C +ATOM 5029 CG2 THR A 335 -2.163 -3.275 7.168 1.00 21.73 C +ATOM 5030 OG1 THR A 335 -2.270 -1.232 8.392 1.00 25.56 O +ATOM 5031 H THR A 335 -4.480 -1.325 7.124 1.00 0.00 H +ATOM 5032 HA THR A 335 -4.400 -3.816 8.647 1.00 0.00 H +ATOM 5033 HB THR A 335 -2.144 -3.033 9.296 1.00 0.00 H +ATOM 5034 HG21 THR A 335 -1.082 -3.194 7.073 1.00 0.00 H +ATOM 5035 HG22 THR A 335 -2.409 -4.336 7.171 1.00 0.00 H +ATOM 5036 HG23 THR A 335 -2.599 -2.832 6.272 1.00 0.00 H +ATOM 5037 HG1 THR A 335 -2.333 -0.859 9.279 1.00 0.00 H +ATOM 5038 N ILE A 336 -4.841 -2.989 11.017 1.00 21.79 N +ATOM 5039 CA ILE A 336 -5.346 -2.596 12.341 1.00 23.08 C +ATOM 5040 C ILE A 336 -4.606 -3.321 13.484 1.00 23.78 C +ATOM 5041 O ILE A 336 -4.041 -4.396 13.278 1.00 23.15 O +ATOM 5042 CB ILE A 336 -6.879 -2.862 12.495 1.00 23.04 C +ATOM 5043 CG1 ILE A 336 -7.287 -4.348 12.330 1.00 23.18 C +ATOM 5044 CG2 ILE A 336 -7.707 -1.934 11.582 1.00 22.42 C +ATOM 5045 CD1 ILE A 336 -8.766 -4.639 12.618 1.00 22.53 C +ATOM 5046 H ILE A 336 -4.692 -3.980 10.880 1.00 0.00 H +ATOM 5047 HA ILE A 336 -5.161 -1.532 12.493 1.00 0.00 H +ATOM 5048 HB ILE A 336 -7.150 -2.580 13.514 1.00 0.00 H +ATOM 5049 HG13 ILE A 336 -6.706 -4.973 13.004 1.00 0.00 H +ATOM 5050 HG12 ILE A 336 -7.051 -4.686 11.320 1.00 0.00 H +ATOM 5051 HG21 ILE A 336 -8.771 -1.986 11.809 1.00 0.00 H +ATOM 5052 HG22 ILE A 336 -7.413 -0.894 11.714 1.00 0.00 H +ATOM 5053 HG23 ILE A 336 -7.581 -2.188 10.529 1.00 0.00 H +ATOM 5054 HD11 ILE A 336 -8.945 -5.714 12.631 1.00 0.00 H +ATOM 5055 HD12 ILE A 336 -9.069 -4.241 13.587 1.00 0.00 H +ATOM 5056 HD13 ILE A 336 -9.417 -4.213 11.856 1.00 0.00 H +ATOM 5057 N SER A 337 -4.644 -2.702 14.676 1.00 25.88 N +ATOM 5058 CA SER A 337 -4.156 -3.255 15.940 1.00 27.99 C +ATOM 5059 C SER A 337 -5.299 -4.002 16.668 1.00 28.21 C +ATOM 5060 O SER A 337 -6.441 -3.547 16.599 1.00 24.65 O +ATOM 5061 CB SER A 337 -3.652 -2.083 16.809 1.00 29.04 C +ATOM 5062 OG SER A 337 -3.203 -2.525 18.076 1.00 32.61 O +ATOM 5063 H SER A 337 -5.114 -1.808 14.748 1.00 0.00 H +ATOM 5064 HA SER A 337 -3.314 -3.910 15.722 1.00 0.00 H +ATOM 5065 HB3 SER A 337 -4.439 -1.342 16.955 1.00 0.00 H +ATOM 5066 HB2 SER A 337 -2.821 -1.575 16.322 1.00 0.00 H +ATOM 5067 HG SER A 337 -3.040 -1.753 18.631 1.00 0.00 H +ATOM 5068 N PRO A 338 -4.978 -5.101 17.389 1.00 30.07 N +ATOM 5069 CA PRO A 338 -5.941 -5.786 18.270 1.00 31.62 C +ATOM 5070 C PRO A 338 -6.166 -5.123 19.646 1.00 32.46 C +ATOM 5071 O PRO A 338 -7.154 -5.462 20.295 1.00 33.11 O +ATOM 5072 CB PRO A 338 -5.326 -7.184 18.434 1.00 30.65 C +ATOM 5073 CG PRO A 338 -3.827 -6.947 18.354 1.00 32.34 C +ATOM 5074 CD PRO A 338 -3.693 -5.803 17.358 1.00 30.98 C +ATOM 5075 HA PRO A 338 -6.906 -5.879 17.777 1.00 0.00 H +ATOM 5076 HB3 PRO A 338 -5.647 -7.829 17.617 1.00 0.00 H +ATOM 5077 HB2 PRO A 338 -5.604 -7.682 19.364 1.00 0.00 H +ATOM 5078 HG3 PRO A 338 -3.255 -7.835 18.083 1.00 0.00 H +ATOM 5079 HG2 PRO A 338 -3.468 -6.606 19.323 1.00 0.00 H +ATOM 5080 HD2 PRO A 338 -2.848 -5.163 17.615 1.00 0.00 H +ATOM 5081 HD3 PRO A 338 -3.539 -6.183 16.349 1.00 0.00 H +ATOM 5082 N ALA A 339 -5.248 -4.244 20.089 1.00 30.89 N +ATOM 5083 CA ALA A 339 -5.208 -3.708 21.453 1.00 29.88 C +ATOM 5084 C ALA A 339 -6.301 -2.669 21.746 1.00 31.52 C +ATOM 5085 O ALA A 339 -6.618 -1.848 20.885 1.00 27.09 O +ATOM 5086 CB ALA A 339 -3.818 -3.108 21.710 1.00 31.10 C +ATOM 5087 H ALA A 339 -4.472 -3.993 19.492 1.00 0.00 H +ATOM 5088 HA ALA A 339 -5.342 -4.547 22.140 1.00 0.00 H +ATOM 5089 HB1 ALA A 339 -3.722 -2.751 22.736 1.00 0.00 H +ATOM 5090 HB2 ALA A 339 -3.033 -3.846 21.547 1.00 0.00 H +ATOM 5091 HB3 ALA A 339 -3.617 -2.270 21.048 1.00 0.00 H +ATOM 5092 N SER A 340 -6.821 -2.710 22.985 1.00 31.98 N +ATOM 5093 CA SER A 340 -7.872 -1.835 23.518 1.00 34.26 C +ATOM 5094 C SER A 340 -7.550 -0.328 23.498 1.00 34.39 C +ATOM 5095 O SER A 340 -8.471 0.478 23.368 1.00 35.26 O +ATOM 5096 CB SER A 340 -8.236 -2.328 24.932 1.00 34.41 C +ATOM 5097 OG SER A 340 -7.232 -2.043 25.889 1.00 35.04 O +ATOM 5098 H SER A 340 -6.483 -3.410 23.630 1.00 0.00 H +ATOM 5099 HA SER A 340 -8.747 -1.982 22.888 1.00 0.00 H +ATOM 5100 HB3 SER A 340 -8.404 -3.404 24.919 1.00 0.00 H +ATOM 5101 HB2 SER A 340 -9.168 -1.868 25.262 1.00 0.00 H +ATOM 5102 HG SER A 340 -7.231 -1.098 26.062 1.00 0.00 H +ATOM 5103 N LEU A 341 -6.255 0.015 23.606 1.00 35.73 N +ATOM 5104 CA LEU A 341 -5.722 1.378 23.553 1.00 37.29 C +ATOM 5105 C LEU A 341 -5.916 2.062 22.188 1.00 36.72 C +ATOM 5106 O LEU A 341 -5.946 3.292 22.136 1.00 36.23 O +ATOM 5107 CB LEU A 341 -4.215 1.332 23.894 1.00 41.08 C +ATOM 5108 CG LEU A 341 -3.893 0.901 25.343 1.00 46.36 C +ATOM 5109 CD1 LEU A 341 -2.381 0.660 25.523 1.00 46.09 C +ATOM 5110 CD2 LEU A 341 -4.452 1.886 26.391 1.00 46.76 C +ATOM 5111 H LEU A 341 -5.568 -0.718 23.708 1.00 0.00 H +ATOM 5112 HA LEU A 341 -6.252 1.979 24.293 1.00 0.00 H +ATOM 5113 HB3 LEU A 341 -3.763 2.309 23.718 1.00 0.00 H +ATOM 5114 HB2 LEU A 341 -3.725 0.651 23.195 1.00 0.00 H +ATOM 5115 HG LEU A 341 -4.373 -0.063 25.513 1.00 0.00 H +ATOM 5116 HD11 LEU A 341 -2.201 -0.237 26.115 1.00 0.00 H +ATOM 5117 HD12 LEU A 341 -1.870 0.523 24.569 1.00 0.00 H +ATOM 5118 HD13 LEU A 341 -1.887 1.491 26.028 1.00 0.00 H +ATOM 5119 HD21 LEU A 341 -3.719 2.140 27.157 1.00 0.00 H +ATOM 5120 HD22 LEU A 341 -4.781 2.823 25.942 1.00 0.00 H +ATOM 5121 HD23 LEU A 341 -5.310 1.452 26.906 1.00 0.00 H +ATOM 5122 N ASN A 342 -6.040 1.255 21.123 1.00 33.70 N +ATOM 5123 CA ASN A 342 -6.132 1.702 19.736 1.00 33.45 C +ATOM 5124 C ASN A 342 -7.574 1.676 19.201 1.00 33.28 C +ATOM 5125 O ASN A 342 -7.733 1.828 17.994 1.00 31.23 O +ATOM 5126 CB ASN A 342 -5.190 0.852 18.851 1.00 34.11 C +ATOM 5127 CG ASN A 342 -3.736 0.845 19.340 1.00 35.86 C +ATOM 5128 ND2 ASN A 342 -3.077 2.003 19.348 1.00 39.01 N +ATOM 5129 OD1 ASN A 342 -3.210 -0.199 19.708 1.00 37.36 O +ATOM 5130 H ASN A 342 -6.027 0.253 21.259 1.00 0.00 H +ATOM 5131 HA ASN A 342 -5.809 2.737 19.648 1.00 0.00 H +ATOM 5132 HB3 ASN A 342 -5.202 1.217 17.824 1.00 0.00 H +ATOM 5133 HB2 ASN A 342 -5.549 -0.178 18.811 1.00 0.00 H +ATOM 5134 HD22 ASN A 342 -2.121 2.039 19.672 1.00 0.00 H +ATOM 5135 HD21 ASN A 342 -3.524 2.857 19.039 1.00 0.00 H +ATOM 5136 N LEU A 343 -8.586 1.516 20.079 1.00 32.73 N +ATOM 5137 CA LEU A 343 -10.018 1.428 19.756 1.00 31.59 C +ATOM 5138 C LEU A 343 -10.530 2.513 18.793 1.00 31.46 C +ATOM 5139 O LEU A 343 -11.106 2.160 17.766 1.00 31.83 O +ATOM 5140 CB LEU A 343 -10.843 1.386 21.067 1.00 31.98 C +ATOM 5141 CG LEU A 343 -12.390 1.426 20.934 1.00 32.11 C +ATOM 5142 CD1 LEU A 343 -12.952 0.285 20.071 1.00 31.95 C +ATOM 5143 CD2 LEU A 343 -13.068 1.455 22.316 1.00 37.07 C +ATOM 5144 H LEU A 343 -8.358 1.407 21.057 1.00 0.00 H +ATOM 5145 HA LEU A 343 -10.146 0.471 19.248 1.00 0.00 H +ATOM 5146 HB3 LEU A 343 -10.537 2.226 21.692 1.00 0.00 H +ATOM 5147 HB2 LEU A 343 -10.565 0.492 21.625 1.00 0.00 H +ATOM 5148 HG LEU A 343 -12.665 2.362 20.446 1.00 0.00 H +ATOM 5149 HD11 LEU A 343 -14.024 0.407 19.917 1.00 0.00 H +ATOM 5150 HD12 LEU A 343 -12.488 0.240 19.088 1.00 0.00 H +ATOM 5151 HD13 LEU A 343 -12.800 -0.680 20.549 1.00 0.00 H +ATOM 5152 HD21 LEU A 343 -13.772 2.284 22.388 1.00 0.00 H +ATOM 5153 HD22 LEU A 343 -13.621 0.540 22.521 1.00 0.00 H +ATOM 5154 HD23 LEU A 343 -12.346 1.573 23.124 1.00 0.00 H +ATOM 5155 N GLU A 344 -10.304 3.796 19.129 1.00 32.34 N +ATOM 5156 CA GLU A 344 -10.739 4.937 18.319 1.00 30.85 C +ATOM 5157 C GLU A 344 -10.131 4.940 16.902 1.00 28.00 C +ATOM 5158 O GLU A 344 -10.865 5.179 15.945 1.00 28.52 O +ATOM 5159 CB GLU A 344 -10.505 6.257 19.090 1.00 33.98 C +ATOM 5160 CG GLU A 344 -10.924 7.523 18.313 1.00 42.77 C +ATOM 5161 CD GLU A 344 -10.776 8.826 19.101 1.00 47.25 C +ATOM 5162 OE1 GLU A 344 -11.561 9.758 18.823 1.00 48.91 O +ATOM 5163 OE2 GLU A 344 -9.822 8.920 19.899 1.00 49.27 O1- +ATOM 5164 H GLU A 344 -9.814 4.012 19.986 1.00 0.00 H +ATOM 5165 HA GLU A 344 -11.819 4.831 18.193 1.00 0.00 H +ATOM 5166 HB3 GLU A 344 -9.453 6.334 19.364 1.00 0.00 H +ATOM 5167 HB2 GLU A 344 -11.057 6.221 20.030 1.00 0.00 H +ATOM 5168 HG3 GLU A 344 -11.952 7.419 17.983 1.00 0.00 H +ATOM 5169 HG2 GLU A 344 -10.332 7.625 17.406 1.00 0.00 H +ATOM 5170 N GLU A 345 -8.828 4.630 16.790 1.00 25.97 N +ATOM 5171 CA GLU A 345 -8.121 4.533 15.512 1.00 27.03 C +ATOM 5172 C GLU A 345 -8.471 3.285 14.691 1.00 26.23 C +ATOM 5173 O GLU A 345 -8.536 3.377 13.467 1.00 23.96 O +ATOM 5174 CB GLU A 345 -6.595 4.628 15.735 1.00 27.74 C +ATOM 5175 CG GLU A 345 -6.101 5.981 16.289 1.00 31.24 C +ATOM 5176 CD GLU A 345 -6.409 7.186 15.404 1.00 33.29 C +ATOM 5177 OE1 GLU A 345 -6.227 8.316 15.903 1.00 35.69 O +ATOM 5178 OE2 GLU A 345 -6.814 6.989 14.240 1.00 35.01 O1- +ATOM 5179 H GLU A 345 -8.284 4.441 17.621 1.00 0.00 H +ATOM 5180 HA GLU A 345 -8.461 5.369 14.904 1.00 0.00 H +ATOM 5181 HB3 GLU A 345 -6.069 4.414 14.804 1.00 0.00 H +ATOM 5182 HB2 GLU A 345 -6.287 3.842 16.425 1.00 0.00 H +ATOM 5183 HG3 GLU A 345 -5.022 5.944 16.439 1.00 0.00 H +ATOM 5184 HG2 GLU A 345 -6.541 6.168 17.264 1.00 0.00 H +ATOM 5185 N THR A 346 -8.726 2.154 15.361 1.00 25.10 N +ATOM 5186 CA THR A 346 -9.180 0.916 14.732 1.00 25.31 C +ATOM 5187 C THR A 346 -10.586 1.076 14.130 1.00 26.27 C +ATOM 5188 O THR A 346 -10.765 0.707 12.973 1.00 25.60 O +ATOM 5189 CB THR A 346 -9.179 -0.260 15.740 1.00 24.58 C +ATOM 5190 CG2 THR A 346 -9.805 -1.578 15.251 1.00 23.70 C +ATOM 5191 OG1 THR A 346 -7.840 -0.528 16.089 1.00 20.56 O +ATOM 5192 H THR A 346 -8.616 2.130 16.367 1.00 0.00 H +ATOM 5193 HA THR A 346 -8.492 0.677 13.918 1.00 0.00 H +ATOM 5194 HB THR A 346 -9.690 0.043 16.655 1.00 0.00 H +ATOM 5195 HG21 THR A 346 -9.625 -2.386 15.960 1.00 0.00 H +ATOM 5196 HG22 THR A 346 -10.885 -1.487 15.144 1.00 0.00 H +ATOM 5197 HG23 THR A 346 -9.392 -1.880 14.289 1.00 0.00 H +ATOM 5198 HG1 THR A 346 -7.846 -1.129 16.845 1.00 0.00 H +ATOM 5199 N LEU A 347 -11.521 1.695 14.874 1.00 25.55 N +ATOM 5200 CA LEU A 347 -12.856 2.039 14.378 1.00 27.06 C +ATOM 5201 C LEU A 347 -12.818 3.056 13.230 1.00 26.24 C +ATOM 5202 O LEU A 347 -13.576 2.885 12.279 1.00 22.77 O +ATOM 5203 CB LEU A 347 -13.747 2.569 15.520 1.00 29.01 C +ATOM 5204 CG LEU A 347 -14.160 1.508 16.558 1.00 31.73 C +ATOM 5205 CD1 LEU A 347 -14.943 2.178 17.698 1.00 34.42 C +ATOM 5206 CD2 LEU A 347 -14.957 0.348 15.930 1.00 33.31 C +ATOM 5207 H LEU A 347 -11.304 1.983 15.820 1.00 0.00 H +ATOM 5208 HA LEU A 347 -13.300 1.129 13.973 1.00 0.00 H +ATOM 5209 HB3 LEU A 347 -14.656 3.004 15.100 1.00 0.00 H +ATOM 5210 HB2 LEU A 347 -13.233 3.389 16.025 1.00 0.00 H +ATOM 5211 HG LEU A 347 -13.265 1.070 16.995 1.00 0.00 H +ATOM 5212 HD11 LEU A 347 -15.548 1.467 18.260 1.00 0.00 H +ATOM 5213 HD12 LEU A 347 -14.265 2.659 18.404 1.00 0.00 H +ATOM 5214 HD13 LEU A 347 -15.612 2.945 17.309 1.00 0.00 H +ATOM 5215 HD21 LEU A 347 -15.698 -0.067 16.612 1.00 0.00 H +ATOM 5216 HD22 LEU A 347 -15.480 0.660 15.026 1.00 0.00 H +ATOM 5217 HD23 LEU A 347 -14.291 -0.469 15.651 1.00 0.00 H +ATOM 5218 N SER A 348 -11.929 4.063 13.311 1.00 25.08 N +ATOM 5219 CA SER A 348 -11.718 5.055 12.256 1.00 25.81 C +ATOM 5220 C SER A 348 -11.240 4.412 10.942 1.00 25.76 C +ATOM 5221 O SER A 348 -11.787 4.731 9.889 1.00 26.65 O +ATOM 5222 CB SER A 348 -10.750 6.145 12.755 1.00 27.51 C +ATOM 5223 OG SER A 348 -10.629 7.195 11.819 1.00 31.87 O +ATOM 5224 H SER A 348 -11.342 4.148 14.130 1.00 0.00 H +ATOM 5225 HA SER A 348 -12.682 5.531 12.061 1.00 0.00 H +ATOM 5226 HB3 SER A 348 -9.761 5.733 12.945 1.00 0.00 H +ATOM 5227 HB2 SER A 348 -11.096 6.569 13.696 1.00 0.00 H +ATOM 5228 HG SER A 348 -10.049 6.910 11.103 1.00 0.00 H +ATOM 5229 N THR A 349 -10.271 3.484 11.038 1.00 24.55 N +ATOM 5230 CA THR A 349 -9.734 2.731 9.905 1.00 23.43 C +ATOM 5231 C THR A 349 -10.767 1.789 9.262 1.00 24.65 C +ATOM 5232 O THR A 349 -10.812 1.724 8.036 1.00 23.30 O +ATOM 5233 CB THR A 349 -8.485 1.907 10.319 1.00 24.23 C +ATOM 5234 CG2 THR A 349 -7.958 0.887 9.290 1.00 22.09 C +ATOM 5235 OG1 THR A 349 -7.440 2.818 10.589 1.00 21.82 O +ATOM 5236 H THR A 349 -9.872 3.277 11.944 1.00 0.00 H +ATOM 5237 HA THR A 349 -9.444 3.457 9.148 1.00 0.00 H +ATOM 5238 HB THR A 349 -8.693 1.377 11.250 1.00 0.00 H +ATOM 5239 HG21 THR A 349 -6.992 0.484 9.589 1.00 0.00 H +ATOM 5240 HG22 THR A 349 -8.631 0.036 9.181 1.00 0.00 H +ATOM 5241 HG23 THR A 349 -7.829 1.344 8.310 1.00 0.00 H +ATOM 5242 HG1 THR A 349 -7.730 3.434 11.272 1.00 0.00 H +ATOM 5243 N LEU A 350 -11.589 1.111 10.082 1.00 25.56 N +ATOM 5244 CA LEU A 350 -12.639 0.205 9.613 1.00 27.20 C +ATOM 5245 C LEU A 350 -13.800 0.941 8.931 1.00 27.84 C +ATOM 5246 O LEU A 350 -14.253 0.469 7.892 1.00 27.94 O +ATOM 5247 CB LEU A 350 -13.143 -0.673 10.774 1.00 26.67 C +ATOM 5248 CG LEU A 350 -12.109 -1.709 11.267 1.00 28.29 C +ATOM 5249 CD1 LEU A 350 -12.600 -2.405 12.544 1.00 28.78 C +ATOM 5250 CD2 LEU A 350 -11.699 -2.724 10.190 1.00 27.19 C +ATOM 5251 H LEU A 350 -11.494 1.209 11.084 1.00 0.00 H +ATOM 5252 HA LEU A 350 -12.199 -0.444 8.854 1.00 0.00 H +ATOM 5253 HB3 LEU A 350 -14.044 -1.207 10.468 1.00 0.00 H +ATOM 5254 HB2 LEU A 350 -13.445 -0.026 11.599 1.00 0.00 H +ATOM 5255 HG LEU A 350 -11.197 -1.182 11.532 1.00 0.00 H +ATOM 5256 HD11 LEU A 350 -11.773 -2.552 13.238 1.00 0.00 H +ATOM 5257 HD12 LEU A 350 -13.366 -1.824 13.058 1.00 0.00 H +ATOM 5258 HD13 LEU A 350 -13.028 -3.386 12.337 1.00 0.00 H +ATOM 5259 HD21 LEU A 350 -11.523 -3.711 10.613 1.00 0.00 H +ATOM 5260 HD22 LEU A 350 -12.457 -2.820 9.416 1.00 0.00 H +ATOM 5261 HD23 LEU A 350 -10.769 -2.421 9.706 1.00 0.00 H +ATOM 5262 N GLU A 351 -14.219 2.098 9.476 1.00 29.78 N +ATOM 5263 CA GLU A 351 -15.201 2.992 8.856 1.00 31.65 C +ATOM 5264 C GLU A 351 -14.724 3.539 7.501 1.00 31.57 C +ATOM 5265 O GLU A 351 -15.484 3.477 6.539 1.00 32.81 O +ATOM 5266 CB GLU A 351 -15.542 4.158 9.811 1.00 34.82 C +ATOM 5267 CG GLU A 351 -16.413 3.781 11.026 1.00 41.40 C +ATOM 5268 CD GLU A 351 -17.855 3.388 10.709 1.00 44.64 C +ATOM 5269 OE1 GLU A 351 -18.485 2.842 11.640 1.00 46.61 O +ATOM 5270 OE2 GLU A 351 -18.317 3.641 9.576 1.00 43.42 O1- +ATOM 5271 H GLU A 351 -13.814 2.417 10.347 1.00 0.00 H +ATOM 5272 HA GLU A 351 -16.104 2.411 8.664 1.00 0.00 H +ATOM 5273 HB3 GLU A 351 -16.030 4.966 9.263 1.00 0.00 H +ATOM 5274 HB2 GLU A 351 -14.614 4.592 10.185 1.00 0.00 H +ATOM 5275 HG3 GLU A 351 -16.465 4.630 11.704 1.00 0.00 H +ATOM 5276 HG2 GLU A 351 -15.960 2.961 11.581 1.00 0.00 H +ATOM 5277 N TYR A 352 -13.469 4.018 7.445 1.00 31.02 N +ATOM 5278 CA TYR A 352 -12.821 4.546 6.242 1.00 29.54 C +ATOM 5279 C TYR A 352 -12.724 3.501 5.118 1.00 30.19 C +ATOM 5280 O TYR A 352 -13.099 3.789 3.981 1.00 29.15 O +ATOM 5281 CB TYR A 352 -11.431 5.092 6.626 1.00 31.28 C +ATOM 5282 CG TYR A 352 -10.697 5.854 5.538 1.00 31.74 C +ATOM 5283 CD1 TYR A 352 -9.990 5.168 4.526 1.00 32.52 C +ATOM 5284 CD2 TYR A 352 -10.689 7.264 5.562 1.00 34.47 C +ATOM 5285 CE1 TYR A 352 -9.267 5.887 3.557 1.00 34.85 C +ATOM 5286 CE2 TYR A 352 -9.951 7.982 4.605 1.00 34.55 C +ATOM 5287 CZ TYR A 352 -9.230 7.294 3.611 1.00 34.94 C +ATOM 5288 OH TYR A 352 -8.479 7.993 2.714 1.00 38.19 O +ATOM 5289 H TYR A 352 -12.910 4.028 8.288 1.00 0.00 H +ATOM 5290 HA TYR A 352 -13.426 5.379 5.878 1.00 0.00 H +ATOM 5291 HB3 TYR A 352 -10.786 4.286 6.980 1.00 0.00 H +ATOM 5292 HB2 TYR A 352 -11.534 5.768 7.475 1.00 0.00 H +ATOM 5293 HD1 TYR A 352 -9.979 4.088 4.502 1.00 0.00 H +ATOM 5294 HD2 TYR A 352 -11.224 7.799 6.333 1.00 0.00 H +ATOM 5295 HE1 TYR A 352 -8.715 5.354 2.797 1.00 0.00 H +ATOM 5296 HE2 TYR A 352 -9.922 9.061 4.648 1.00 0.00 H +ATOM 5297 HH TYR A 352 -8.027 7.427 2.084 1.00 0.00 H +ATOM 5298 N ALA A 353 -12.234 2.304 5.479 1.00 27.84 N +ATOM 5299 CA ALA A 353 -12.094 1.145 4.605 1.00 29.40 C +ATOM 5300 C ALA A 353 -13.447 0.648 4.071 1.00 30.72 C +ATOM 5301 O ALA A 353 -13.552 0.372 2.878 1.00 30.09 O +ATOM 5302 CB ALA A 353 -11.348 0.049 5.383 1.00 27.70 C +ATOM 5303 H ALA A 353 -11.939 2.164 6.437 1.00 0.00 H +ATOM 5304 HA ALA A 353 -11.479 1.441 3.752 1.00 0.00 H +ATOM 5305 HB1 ALA A 353 -11.136 -0.823 4.771 1.00 0.00 H +ATOM 5306 HB2 ALA A 353 -10.389 0.422 5.741 1.00 0.00 H +ATOM 5307 HB3 ALA A 353 -11.915 -0.285 6.253 1.00 0.00 H +ATOM 5308 N HIS A 354 -14.464 0.586 4.949 1.00 33.52 N +ATOM 5309 CA HIS A 354 -15.826 0.157 4.628 1.00 36.23 C +ATOM 5310 C HIS A 354 -16.511 1.037 3.567 1.00 36.11 C +ATOM 5311 O HIS A 354 -17.190 0.497 2.695 1.00 35.43 O +ATOM 5312 CB HIS A 354 -16.656 0.067 5.925 1.00 39.61 C +ATOM 5313 CG HIS A 354 -18.099 -0.315 5.720 1.00 43.40 C +ATOM 5314 CD2 HIS A 354 -18.687 -1.531 5.458 1.00 45.87 C +ATOM 5315 ND1 HIS A 354 -19.133 0.606 5.752 1.00 45.98 N +ATOM 5316 CE1 HIS A 354 -20.258 -0.064 5.492 1.00 46.42 C +ATOM 5317 NE2 HIS A 354 -20.064 -1.364 5.301 1.00 47.89 N +ATOM 5318 H HIS A 354 -14.297 0.829 5.918 1.00 0.00 H +ATOM 5319 HA HIS A 354 -15.756 -0.849 4.209 1.00 0.00 H +ATOM 5320 HB3 HIS A 354 -16.622 1.013 6.466 1.00 0.00 H +ATOM 5321 HB2 HIS A 354 -16.217 -0.682 6.586 1.00 0.00 H +ATOM 5322 HD2 HIS A 354 -18.226 -2.503 5.353 1.00 0.00 H +ATOM 5323 HD1 HIS A 354 -19.053 1.596 5.933 1.00 0.00 H +ATOM 5324 HE1 HIS A 354 -21.231 0.403 5.445 1.00 0.00 H +ATOM 5325 N ARG A 355 -16.294 2.360 3.645 1.00 36.76 N +ATOM 5326 CA ARG A 355 -16.779 3.339 2.671 1.00 38.68 C +ATOM 5327 C ARG A 355 -16.172 3.122 1.277 1.00 37.05 C +ATOM 5328 O ARG A 355 -16.921 3.127 0.303 1.00 37.00 O +ATOM 5329 CB ARG A 355 -16.478 4.762 3.177 1.00 42.28 C +ATOM 5330 CG ARG A 355 -17.291 5.162 4.419 1.00 47.63 C +ATOM 5331 CD ARG A 355 -16.679 6.349 5.185 1.00 52.45 C +ATOM 5332 NE ARG A 355 -16.484 7.528 4.329 1.00 57.27 N +ATOM 5333 CZ ARG A 355 -17.452 8.218 3.702 1.00 59.95 C +ATOM 5334 NH1 ARG A 355 -18.749 7.910 3.836 1.00 61.16 N +ATOM 5335 NH2 ARG A 355 -17.124 9.256 2.931 1.00 59.95 N1+ +ATOM 5336 H ARG A 355 -15.726 2.723 4.399 1.00 0.00 H +ATOM 5337 HA ARG A 355 -17.861 3.222 2.591 1.00 0.00 H +ATOM 5338 HB3 ARG A 355 -16.679 5.490 2.388 1.00 0.00 H +ATOM 5339 HB2 ARG A 355 -15.412 4.846 3.395 1.00 0.00 H +ATOM 5340 HG3 ARG A 355 -17.274 4.322 5.108 1.00 0.00 H +ATOM 5341 HG2 ARG A 355 -18.349 5.296 4.198 1.00 0.00 H +ATOM 5342 HD3 ARG A 355 -15.764 6.064 5.703 1.00 0.00 H +ATOM 5343 HD2 ARG A 355 -17.379 6.664 5.959 1.00 0.00 H +ATOM 5344 HE ARG A 355 -15.527 7.830 4.209 1.00 0.00 H +ATOM 5345 HH12 ARG A 355 -19.458 8.457 3.369 1.00 0.00 H +ATOM 5346 HH11 ARG A 355 -19.025 7.142 4.430 1.00 0.00 H +ATOM 5347 HH22 ARG A 355 -17.846 9.796 2.476 1.00 0.00 H +ATOM 5348 HH21 ARG A 355 -16.162 9.559 2.834 1.00 0.00 H +ATOM 5349 N ALA A 356 -14.847 2.894 1.218 1.00 35.18 N +ATOM 5350 CA ALA A 356 -14.077 2.704 -0.014 1.00 33.47 C +ATOM 5351 C ALA A 356 -14.478 1.487 -0.873 1.00 34.33 C +ATOM 5352 O ALA A 356 -14.140 1.475 -2.056 1.00 32.89 O +ATOM 5353 CB ALA A 356 -12.585 2.662 0.335 1.00 31.30 C +ATOM 5354 H ALA A 356 -14.314 2.877 2.076 1.00 0.00 H +ATOM 5355 HA ALA A 356 -14.248 3.590 -0.627 1.00 0.00 H +ATOM 5356 HB1 ALA A 356 -11.978 2.642 -0.570 1.00 0.00 H +ATOM 5357 HB2 ALA A 356 -12.288 3.544 0.903 1.00 0.00 H +ATOM 5358 HB3 ALA A 356 -12.333 1.784 0.930 1.00 0.00 H +ATOM 5359 N LYS A 357 -15.229 0.527 -0.299 1.00 34.54 N +ATOM 5360 CA LYS A 357 -15.850 -0.599 -1.009 1.00 38.30 C +ATOM 5361 C LYS A 357 -16.844 -0.165 -2.105 1.00 40.22 C +ATOM 5362 O LYS A 357 -16.961 -0.860 -3.114 1.00 40.04 O +ATOM 5363 CB LYS A 357 -16.616 -1.490 -0.012 1.00 38.47 C +ATOM 5364 CG LYS A 357 -15.755 -2.196 1.049 1.00 39.23 C +ATOM 5365 CD LYS A 357 -16.604 -2.983 2.063 1.00 41.33 C +ATOM 5366 CE LYS A 357 -17.304 -4.213 1.458 1.00 42.15 C +ATOM 5367 NZ LYS A 357 -18.324 -4.753 2.369 1.00 41.28 N1+ +ATOM 5368 H LYS A 357 -15.462 0.610 0.680 1.00 0.00 H +ATOM 5369 HA LYS A 357 -15.057 -1.183 -1.477 1.00 0.00 H +ATOM 5370 HB3 LYS A 357 -17.145 -2.249 -0.587 1.00 0.00 H +ATOM 5371 HB2 LYS A 357 -17.388 -0.897 0.480 1.00 0.00 H +ATOM 5372 HG3 LYS A 357 -15.153 -1.465 1.586 1.00 0.00 H +ATOM 5373 HG2 LYS A 357 -15.057 -2.870 0.553 1.00 0.00 H +ATOM 5374 HD3 LYS A 357 -17.345 -2.315 2.503 1.00 0.00 H +ATOM 5375 HD2 LYS A 357 -15.966 -3.300 2.890 1.00 0.00 H +ATOM 5376 HE3 LYS A 357 -16.574 -4.988 1.222 1.00 0.00 H +ATOM 5377 HE2 LYS A 357 -17.818 -3.969 0.530 1.00 0.00 H +ATOM 5378 HZ1 LYS A 357 -19.034 -4.052 2.531 1.00 0.00 H +ATOM 5379 HZ2 LYS A 357 -18.746 -5.573 1.959 1.00 0.00 H +ATOM 5380 HZ3 LYS A 357 -17.896 -4.997 3.255 1.00 0.00 H +ATOM 5381 N ASN A 358 -17.546 0.958 -1.874 1.00 41.32 N +ATOM 5382 CA ASN A 358 -18.585 1.504 -2.754 1.00 42.57 C +ATOM 5383 C ASN A 358 -18.024 2.323 -3.933 1.00 43.12 C +ATOM 5384 O ASN A 358 -18.825 2.833 -4.717 1.00 44.49 O +ATOM 5385 CB ASN A 358 -19.582 2.344 -1.913 1.00 45.39 C +ATOM 5386 CG ASN A 358 -20.415 1.539 -0.907 1.00 48.23 C +ATOM 5387 ND2 ASN A 358 -21.135 2.243 -0.031 1.00 48.45 N +ATOM 5388 OD1 ASN A 358 -20.432 0.310 -0.921 1.00 51.21 O +ATOM 5389 H ASN A 358 -17.378 1.473 -1.019 1.00 0.00 H +ATOM 5390 HA ASN A 358 -19.125 0.657 -3.182 1.00 0.00 H +ATOM 5391 HB3 ASN A 358 -20.300 2.834 -2.571 1.00 0.00 H +ATOM 5392 HB2 ASN A 358 -19.056 3.144 -1.389 1.00 0.00 H +ATOM 5393 HD22 ASN A 358 -21.706 1.764 0.650 1.00 0.00 H +ATOM 5394 HD21 ASN A 358 -21.113 3.252 -0.041 1.00 0.00 H +ATOM 5395 N ILE A 359 -16.690 2.431 -4.069 1.00 41.07 N +ATOM 5396 CA ILE A 359 -16.049 3.069 -5.220 1.00 40.73 C +ATOM 5397 C ILE A 359 -16.009 2.084 -6.401 1.00 41.82 C +ATOM 5398 O ILE A 359 -15.603 0.937 -6.221 1.00 42.57 O +ATOM 5399 CB ILE A 359 -14.598 3.538 -4.915 1.00 40.12 C +ATOM 5400 CG1 ILE A 359 -14.594 4.530 -3.734 1.00 40.44 C +ATOM 5401 CG2 ILE A 359 -13.898 4.173 -6.144 1.00 39.64 C +ATOM 5402 CD1 ILE A 359 -13.209 4.851 -3.174 1.00 41.20 C +ATOM 5403 H ILE A 359 -16.077 1.984 -3.402 1.00 0.00 H +ATOM 5404 HA ILE A 359 -16.631 3.949 -5.502 1.00 0.00 H +ATOM 5405 HB ILE A 359 -14.020 2.664 -4.612 1.00 0.00 H +ATOM 5406 HG13 ILE A 359 -15.176 4.127 -2.907 1.00 0.00 H +ATOM 5407 HG12 ILE A 359 -15.092 5.453 -4.027 1.00 0.00 H +ATOM 5408 HG21 ILE A 359 -12.903 4.543 -5.906 1.00 0.00 H +ATOM 5409 HG22 ILE A 359 -13.764 3.462 -6.957 1.00 0.00 H +ATOM 5410 HG23 ILE A 359 -14.471 5.013 -6.534 1.00 0.00 H +ATOM 5411 HD11 ILE A 359 -13.327 5.483 -2.301 1.00 0.00 H +ATOM 5412 HD12 ILE A 359 -12.684 3.950 -2.860 1.00 0.00 H +ATOM 5413 HD13 ILE A 359 -12.584 5.393 -3.883 1.00 0.00 H +ATOM 5414 N LEU A 360 -16.420 2.578 -7.576 1.00 42.09 N +ATOM 5415 CA LEU A 360 -16.486 1.848 -8.837 1.00 44.36 C +ATOM 5416 C LEU A 360 -15.307 2.260 -9.730 1.00 43.24 C +ATOM 5417 O LEU A 360 -15.200 3.443 -10.051 1.00 43.73 O +ATOM 5418 CB LEU A 360 -17.838 2.210 -9.498 1.00 47.52 C +ATOM 5419 CG LEU A 360 -18.084 1.616 -10.903 1.00 50.60 C +ATOM 5420 CD1 LEU A 360 -18.176 0.085 -10.874 1.00 52.74 C +ATOM 5421 CD2 LEU A 360 -19.326 2.245 -11.556 1.00 52.55 C +ATOM 5422 H LEU A 360 -16.716 3.545 -7.621 1.00 0.00 H +ATOM 5423 HA LEU A 360 -16.452 0.772 -8.661 1.00 0.00 H +ATOM 5424 HB3 LEU A 360 -17.907 3.297 -9.566 1.00 0.00 H +ATOM 5425 HB2 LEU A 360 -18.653 1.908 -8.838 1.00 0.00 H +ATOM 5426 HG LEU A 360 -17.251 1.880 -11.553 1.00 0.00 H +ATOM 5427 HD11 LEU A 360 -18.992 -0.271 -11.500 1.00 0.00 H +ATOM 5428 HD12 LEU A 360 -17.256 -0.363 -11.243 1.00 0.00 H +ATOM 5429 HD13 LEU A 360 -18.343 -0.299 -9.868 1.00 0.00 H +ATOM 5430 HD21 LEU A 360 -19.299 2.121 -12.639 1.00 0.00 H +ATOM 5431 HD22 LEU A 360 -20.244 1.785 -11.191 1.00 0.00 H +ATOM 5432 HD23 LEU A 360 -19.392 3.315 -11.355 1.00 0.00 H +ATOM 5433 N ASN A 361 -14.499 1.282 -10.169 1.00 42.13 N +ATOM 5434 CA ASN A 361 -13.466 1.451 -11.204 1.00 44.33 C +ATOM 5435 C ASN A 361 -13.853 0.623 -12.448 1.00 45.70 C +ATOM 5436 O ASN A 361 -14.838 -0.117 -12.426 1.00 46.71 O +ATOM 5437 CB ASN A 361 -12.076 1.014 -10.676 1.00 42.58 C +ATOM 5438 CG ASN A 361 -11.488 1.850 -9.527 1.00 42.14 C +ATOM 5439 ND2 ASN A 361 -10.174 1.756 -9.328 1.00 40.89 N +ATOM 5440 OD1 ASN A 361 -12.186 2.563 -8.814 1.00 39.55 O +ATOM 5441 H ASN A 361 -14.662 0.328 -9.874 1.00 0.00 H +ATOM 5442 HA ASN A 361 -13.406 2.497 -11.511 1.00 0.00 H +ATOM 5443 HB3 ASN A 361 -11.349 1.054 -11.488 1.00 0.00 H +ATOM 5444 HB2 ASN A 361 -12.126 -0.029 -10.378 1.00 0.00 H +ATOM 5445 HD22 ASN A 361 -9.723 2.280 -8.588 1.00 0.00 H +ATOM 5446 HD21 ASN A 361 -9.600 1.185 -9.939 1.00 0.00 H +ATOM 5447 N LYS A 362 -13.075 0.795 -13.528 1.00 46.44 N +ATOM 5448 CA LYS A 362 -13.326 0.233 -14.859 1.00 48.00 C +ATOM 5449 C LYS A 362 -12.054 -0.444 -15.408 1.00 47.90 C +ATOM 5450 O LYS A 362 -11.636 -0.141 -16.527 1.00 48.26 O +ATOM 5451 CB LYS A 362 -13.831 1.364 -15.785 1.00 48.16 C +ATOM 5452 CG LYS A 362 -15.189 1.963 -15.374 1.00 50.94 C +ATOM 5453 CD LYS A 362 -15.585 3.208 -16.182 1.00 53.33 C +ATOM 5454 CE LYS A 362 -14.636 4.400 -15.969 1.00 55.16 C +ATOM 5455 NZ LYS A 362 -15.146 5.618 -16.617 1.00 55.37 N1+ +ATOM 5456 H LYS A 362 -12.296 1.440 -13.468 1.00 0.00 H +ATOM 5457 HA LYS A 362 -14.091 -0.544 -14.810 1.00 0.00 H +ATOM 5458 HB3 LYS A 362 -13.928 0.997 -16.808 1.00 0.00 H +ATOM 5459 HB2 LYS A 362 -13.066 2.140 -15.809 1.00 0.00 H +ATOM 5460 HG3 LYS A 362 -15.187 2.228 -14.319 1.00 0.00 H +ATOM 5461 HG2 LYS A 362 -15.961 1.201 -15.486 1.00 0.00 H +ATOM 5462 HD3 LYS A 362 -16.600 3.494 -15.903 1.00 0.00 H +ATOM 5463 HD2 LYS A 362 -15.623 2.953 -17.243 1.00 0.00 H +ATOM 5464 HE3 LYS A 362 -13.645 4.196 -16.373 1.00 0.00 H +ATOM 5465 HE2 LYS A 362 -14.512 4.603 -14.905 1.00 0.00 H +ATOM 5466 HZ1 LYS A 362 -14.504 6.378 -16.428 1.00 0.00 H +ATOM 5467 HZ2 LYS A 362 -15.224 5.473 -17.613 1.00 0.00 H +ATOM 5468 HZ3 LYS A 362 -16.053 5.847 -16.235 1.00 0.00 H +ATOM 5469 N NMA A 362A -11.460 -1.340 -14.604 1.00 0.00 N +ATOM 5470 CA NMA A 362A -10.247 -2.076 -14.946 1.00 0.00 C +ATOM 5471 H NMA A 362A -11.865 -1.526 -13.698 1.00 0.00 H +ATOM 5472 1HA NMA A 362A -9.845 -1.822 -15.928 1.00 0.00 H +ATOM 5473 2HA NMA A 362A -9.475 -1.871 -14.205 1.00 0.00 H +ATOM 5474 3HA NMA A 362A -10.447 -3.148 -14.932 1.00 0.00 H +TER 5475 NMA A 362A +HETATM 5476 O HOH Z 500 -1.184 6.579 12.040 1.00 23.92 O +HETATM 5477 H1 HOH Z 500 -0.727 7.278 12.597 1.00 0.00 H +HETATM 5478 H2 HOH Z 500 -0.506 6.137 11.449 1.00 0.00 H +HETATM 5479 O HOH Z 501 -6.970 21.227 3.019 1.00 22.56 O +HETATM 5480 H1 HOH Z 501 -6.096 20.808 2.765 1.00 0.00 H +HETATM 5481 H2 HOH Z 501 -6.821 22.187 3.257 1.00 0.00 H +HETATM 5482 O HOH Z 502 -8.496 18.296 -0.494 1.00 23.55 O +HETATM 5483 H1 HOH Z 502 -7.627 17.875 -0.764 1.00 0.00 H +HETATM 5484 H2 HOH Z 502 -8.731 19.024 -1.145 1.00 0.00 H +HETATM 5485 O HOH Z 503 2.448 5.036 9.585 1.00 20.25 O +HETATM 5486 H1 HOH Z 503 2.299 5.481 10.471 1.00 0.00 H +HETATM 5487 H2 HOH Z 503 3.354 4.605 9.579 1.00 0.00 H +HETATM 5488 O HOH Z 504 -5.563 1.139 11.912 1.00 22.15 O +HETATM 5489 H1 HOH Z 504 -6.245 1.729 11.472 1.00 0.00 H +HETATM 5490 H2 HOH Z 504 -5.314 0.397 11.285 1.00 0.00 H +HETATM 5491 O HOH Z 505 -3.036 5.221 6.253 1.00 21.23 O +HETATM 5492 H1 HOH Z 505 -2.302 5.903 6.285 1.00 0.00 H +HETATM 5493 H2 HOH Z 505 -3.774 5.555 5.667 1.00 0.00 H +HETATM 5494 O HOH Z 506 12.281 10.668 11.132 1.00 20.58 O +HETATM 5495 H1 HOH Z 506 12.913 10.544 11.898 1.00 0.00 H +HETATM 5496 H2 HOH Z 506 12.664 11.338 10.493 1.00 0.00 H +HETATM 5497 O HOH Z 507 3.073 -11.028 1.014 1.00 27.41 O +HETATM 5498 H1 HOH Z 507 2.769 -11.936 1.310 1.00 0.00 H +HETATM 5499 H2 HOH Z 507 2.682 -10.334 1.623 1.00 0.00 H +HETATM 5500 O HOH Z 508 -1.804 -5.779 9.908 1.00 24.29 O +HETATM 5501 H1 HOH Z 508 -1.439 -5.051 10.493 1.00 0.00 H +HETATM 5502 H2 HOH Z 508 -2.805 -5.773 9.956 1.00 0.00 H +HETATM 5503 O HOH Z 509 2.103 -9.312 3.056 1.00 24.06 O +HETATM 5504 H1 HOH Z 509 2.539 -9.665 3.887 1.00 0.00 H +HETATM 5505 H2 HOH Z 509 2.499 -8.421 2.826 1.00 0.00 H +HETATM 5506 O HOH Z 510 5.092 3.779 9.268 1.00 24.51 O +HETATM 5507 H1 HOH Z 510 4.629 3.040 9.770 1.00 0.00 H +HETATM 5508 H2 HOH Z 510 5.170 3.520 8.303 1.00 0.00 H +HETATM 5509 O HOH Z 511 4.325 2.934 6.456 1.00 27.19 O +HETATM 5510 H1 HOH Z 511 4.146 3.914 6.352 1.00 0.00 H +HETATM 5511 H2 HOH Z 511 3.968 2.447 5.655 1.00 0.00 H +HETATM 5512 O HOH Z 512 11.319 8.047 10.308 1.00 27.93 O +HETATM 5513 H1 HOH Z 512 12.056 7.391 10.472 1.00 0.00 H +HETATM 5514 H2 HOH Z 512 11.604 8.953 10.629 1.00 0.00 H +HETATM 5515 O HOH Z 513 -5.526 0.230 14.651 1.00 25.06 O +HETATM 5516 H1 HOH Z 513 -5.661 0.658 13.755 1.00 0.00 H +HETATM 5517 H2 HOH Z 513 -6.411 0.133 15.112 1.00 0.00 H +HETATM 5518 O HOH Z 514 0.709 -6.869 8.985 1.00 26.28 O +HETATM 5519 H1 HOH Z 514 1.367 -6.620 9.699 1.00 0.00 H +HETATM 5520 H2 HOH Z 514 -0.194 -6.503 9.223 1.00 0.00 H +HETATM 5521 O HOH Z 515 17.695 7.804 10.509 1.00 26.65 O +HETATM 5522 H1 HOH Z 515 17.833 7.830 9.518 1.00 0.00 H +HETATM 5523 H2 HOH Z 515 18.166 7.009 10.891 1.00 0.00 H +HETATM 5524 O HOH Z 516 2.391 14.989 1.794 1.00 31.78 O +HETATM 5525 H1 HOH Z 516 1.665 15.643 1.572 1.00 0.00 H +HETATM 5526 H2 HOH Z 516 2.463 14.889 2.787 1.00 0.00 H +HETATM 5527 O HOH Z 517 6.684 4.842 11.438 1.00 25.41 O +HETATM 5528 H1 HOH Z 517 6.173 4.417 10.687 1.00 0.00 H +HETATM 5529 H2 HOH Z 517 7.539 5.224 11.081 1.00 0.00 H +HETATM 5530 O HOH Z 518 -7.972 -2.085 18.448 1.00 27.14 O +HETATM 5531 H1 HOH Z 518 -7.546 -1.990 19.350 1.00 0.00 H +HETATM 5532 H2 HOH Z 518 -7.485 -2.785 17.922 1.00 0.00 H +HETATM 5533 O HOH Z 519 14.457 14.051 11.444 1.00 33.88 O +HETATM 5534 H1 HOH Z 519 14.459 13.181 10.948 1.00 0.00 H +HETATM 5535 H2 HOH Z 519 15.325 14.524 11.284 1.00 0.00 H +HETATM 5536 O HOH Z 520 -0.172 0.334 16.422 1.00 30.82 O +HETATM 5537 H1 HOH Z 520 0.330 0.976 15.840 1.00 0.00 H +HETATM 5538 H2 HOH Z 520 -0.795 0.843 17.015 1.00 0.00 H +HETATM 5539 O HOH Z 521 8.681 6.228 3.202 1.00 24.69 O +HETATM 5540 H1 HOH Z 521 9.189 5.715 3.897 1.00 0.00 H +HETATM 5541 H2 HOH Z 521 9.272 6.401 2.411 1.00 0.00 H +HETATM 5542 O HOH Z 522 8.055 1.466 4.113 1.00 28.63 O +HETATM 5543 H1 HOH Z 522 7.521 2.278 3.862 1.00 0.00 H +HETATM 5544 H2 HOH Z 522 8.257 0.935 3.289 1.00 0.00 H +HETATM 5545 O HOH Z 523 -3.115 7.928 -12.254 1.00 28.60 O +HETATM 5546 H1 HOH Z 523 -2.318 8.374 -11.842 1.00 0.00 H +HETATM 5547 H2 HOH Z 523 -2.982 7.858 -13.245 1.00 0.00 H +HETATM 5548 O HOH Z 524 5.735 1.490 12.415 1.00 31.50 O +HETATM 5549 H1 HOH Z 524 4.993 1.804 11.816 1.00 0.00 H +HETATM 5550 H2 HOH Z 524 6.239 0.757 11.955 1.00 0.00 H +HETATM 5551 O HOH Z 525 5.423 -14.138 8.197 1.00 37.56 O +HETATM 5552 H1 HOH Z 525 5.787 -14.372 7.294 1.00 0.00 H +HETATM 5553 H2 HOH Z 525 6.035 -13.479 8.636 1.00 0.00 H +HETATM 5554 O HOH Z 526 3.235 5.612 6.873 1.00 27.35 O +HETATM 5555 H1 HOH Z 526 2.533 5.432 6.181 1.00 0.00 H +HETATM 5556 H2 HOH Z 526 2.852 5.460 7.786 1.00 0.00 H +HETATM 5557 O HOH Z 527 8.296 18.195 -5.138 1.00 29.24 O +HETATM 5558 H1 HOH Z 527 8.854 18.658 -4.448 1.00 0.00 H +HETATM 5559 H2 HOH Z 527 8.876 17.937 -5.915 1.00 0.00 H +HETATM 5560 O HOH Z 528 -15.622 15.200 -0.732 1.00 30.78 O +HETATM 5561 H1 HOH Z 528 -14.934 14.591 -1.131 1.00 0.00 H +HETATM 5562 H2 HOH Z 528 -16.420 15.238 -1.334 1.00 0.00 H +HETATM 5563 O HOH Z 529 5.594 1.535 -1.315 1.00 28.37 O +HETATM 5564 H1 HOH Z 529 5.674 1.000 -0.470 1.00 0.00 H +HETATM 5565 H2 HOH Z 529 4.852 1.161 -1.876 1.00 0.00 H +HETATM 5566 O HOH Z 530 -2.844 11.279 9.966 1.00 33.08 O +HETATM 5567 H1 HOH Z 530 -2.370 10.496 9.558 1.00 0.00 H +HETATM 5568 H2 HOH Z 530 -2.985 11.104 10.945 1.00 0.00 H +HETATM 5569 O HOH Z 531 -2.830 -11.608 18.999 1.00 43.05 O +HETATM 5570 H1 HOH Z 531 -3.185 -12.525 19.188 1.00 0.00 H +HETATM 5571 H2 HOH Z 531 -3.555 -10.935 19.142 1.00 0.00 H +HETATM 5572 O HOH Z 532 -17.706 -9.823 23.273 1.00 51.02 O +HETATM 5573 H1 HOH Z 532 -17.882 -9.338 24.131 1.00 0.00 H +HETATM 5574 H2 HOH Z 532 -17.745 -10.809 23.435 1.00 0.00 H +HETATM 5575 O HOH Z 533 6.775 3.806 3.168 1.00 29.31 O +HETATM 5576 H1 HOH Z 533 6.090 4.320 3.689 1.00 0.00 H +HETATM 5577 H2 HOH Z 533 6.509 3.786 2.202 1.00 0.00 H +HETATM 5578 O HOH Z 534 7.253 1.371 9.228 1.00 33.44 O +HETATM 5579 H1 HOH Z 534 6.979 1.280 8.269 1.00 0.00 H +HETATM 5580 H2 HOH Z 534 6.905 0.588 9.748 1.00 0.00 H +HETATM 5581 O HOH Z 535 -7.212 5.481 11.922 1.00 24.40 O +HETATM 5582 H1 HOH Z 535 -6.391 5.498 11.347 1.00 0.00 H +HETATM 5583 H2 HOH Z 535 -7.019 5.940 12.793 1.00 0.00 H +HETATM 5584 O HOH Z 536 -3.548 13.647 -12.909 1.00 34.07 O +HETATM 5585 H1 HOH Z 536 -3.173 13.573 -13.833 1.00 0.00 H +HETATM 5586 H2 HOH Z 536 -3.147 12.937 -12.328 1.00 0.00 H +HETATM 5587 O HOH Z 537 -4.195 4.905 19.807 1.00 39.82 O +HETATM 5588 H1 HOH Z 537 -3.900 4.956 20.761 1.00 0.00 H +HETATM 5589 H2 HOH Z 537 -3.559 5.422 19.233 1.00 0.00 H +HETATM 5590 O HOH Z 538 -13.515 6.319 16.025 1.00 32.85 O +HETATM 5591 H1 HOH Z 538 -12.555 6.041 15.960 1.00 0.00 H +HETATM 5592 H2 HOH Z 538 -13.640 6.896 16.835 1.00 0.00 H +HETATM 5593 O HOH Z 539 3.541 -1.885 16.622 1.00 29.41 O +HETATM 5594 H1 HOH Z 539 2.912 -1.742 15.856 1.00 0.00 H +HETATM 5595 H2 HOH Z 539 3.633 -2.867 16.795 1.00 0.00 H +HETATM 5596 O HOH Z 540 -0.813 -4.125 -22.495 1.00 37.64 O +HETATM 5597 H1 HOH Z 540 -1.228 -3.932 -21.604 1.00 0.00 H +HETATM 5598 H2 HOH Z 540 -1.507 -4.040 -23.210 1.00 0.00 H +HETATM 5599 O HOH Z 541 12.755 5.732 -8.245 1.00 31.37 O +HETATM 5600 H1 HOH Z 541 12.921 5.679 -9.232 1.00 0.00 H +HETATM 5601 H2 HOH Z 541 13.356 6.431 -7.846 1.00 0.00 H +HETATM 5602 O HOH Z 542 0.859 12.867 8.082 1.00 36.39 O +HETATM 5603 H1 HOH Z 542 0.866 12.049 8.663 1.00 0.00 H +HETATM 5604 H2 HOH Z 542 1.019 12.598 7.131 1.00 0.00 H +HETATM 5605 O HOH Z 543 12.473 -9.318 11.978 1.00 32.76 O +HETATM 5606 H1 HOH Z 543 11.626 -8.808 11.798 1.00 0.00 H +HETATM 5607 H2 HOH Z 543 12.906 -9.561 11.108 1.00 0.00 H +HETATM 5608 O HOH Z 544 12.488 0.615 4.644 1.00 38.97 O +HETATM 5609 H1 HOH Z 544 13.283 0.732 5.243 1.00 0.00 H +HETATM 5610 H2 HOH Z 544 12.200 -0.343 4.653 1.00 0.00 H +HETATM 5611 O HOH Z 545 -13.055 20.100 -2.872 1.00 44.10 O +HETATM 5612 H1 HOH Z 545 -12.165 20.350 -3.263 1.00 0.00 H +HETATM 5613 H2 HOH Z 545 -12.956 19.964 -1.887 1.00 0.00 H +HETATM 5614 O HOH Z 546 -2.286 3.094 -12.805 1.00 40.25 O +HETATM 5615 H1 HOH Z 546 -1.716 2.278 -12.686 1.00 0.00 H +HETATM 5616 H2 HOH Z 546 -3.229 2.811 -12.997 1.00 0.00 H +HETATM 5617 O HOH Z 547 12.497 5.967 6.995 1.00 32.52 O +HETATM 5618 H1 HOH Z 547 13.303 6.416 6.605 1.00 0.00 H +HETATM 5619 H2 HOH Z 547 12.788 5.228 7.603 1.00 0.00 H +HETATM 5620 O HOH Z 548 11.024 18.109 8.843 1.00 28.86 O +HETATM 5621 H1 HOH Z 548 10.928 18.639 8.000 1.00 0.00 H +HETATM 5622 H2 HOH Z 548 11.062 18.733 9.625 1.00 0.00 H +HETATM 5623 O HOH Z 549 3.548 14.163 4.409 1.00 24.81 O +HETATM 5624 H1 HOH Z 549 3.207 14.810 5.095 1.00 0.00 H +HETATM 5625 H2 HOH Z 549 3.496 13.231 4.774 1.00 0.00 H +HETATM 5626 O HOH Z 550 -1.679 -10.694 10.310 1.00 30.83 O +HETATM 5627 H1 HOH Z 550 -1.001 -11.152 10.888 1.00 0.00 H +HETATM 5628 H2 HOH Z 550 -2.480 -10.456 10.863 1.00 0.00 H +HETATM 5629 O HOH Z 551 4.515 5.278 4.115 1.00 35.23 O +HETATM 5630 H1 HOH Z 551 4.395 6.243 4.355 1.00 0.00 H +HETATM 5631 H2 HOH Z 551 3.817 5.011 3.449 1.00 0.00 H +HETATM 5632 O HOH Z 552 0.894 10.442 9.608 1.00 30.66 O +HETATM 5633 H1 HOH Z 552 1.556 9.708 9.447 1.00 0.00 H +HETATM 5634 H2 HOH Z 552 0.194 10.123 10.250 1.00 0.00 H +HETATM 5635 O HOH Z 553 -7.142 4.983 19.450 1.00 39.64 O +HETATM 5636 H1 HOH Z 553 -6.158 4.817 19.543 1.00 0.00 H +HETATM 5637 H2 HOH Z 553 -7.615 4.637 20.263 1.00 0.00 H +HETATM 5638 O HOH Z 554 -8.804 -5.614 -6.975 1.00 31.79 O +HETATM 5639 H1 HOH Z 554 -8.998 -6.155 -6.155 1.00 0.00 H +HETATM 5640 H2 HOH Z 554 -9.564 -4.979 -7.141 1.00 0.00 H +HETATM 5641 O HOH Z 555 -13.021 7.262 -15.190 1.00 62.73 O +HETATM 5642 H1 HOH Z 555 -13.095 6.968 -14.235 1.00 0.00 H +HETATM 5643 H2 HOH Z 555 -12.485 8.105 -15.235 1.00 0.00 H +HETATM 5644 O HOH Z 556 2.769 16.411 5.973 1.00 38.69 O +HETATM 5645 H1 HOH Z 556 2.431 16.397 6.916 1.00 0.00 H +HETATM 5646 H2 HOH Z 556 3.728 16.701 5.969 1.00 0.00 H +HETATM 5647 O HOH Z 557 -8.892 6.390 9.661 1.00 32.83 O +HETATM 5648 H1 HOH Z 557 -8.484 6.494 8.751 1.00 0.00 H +HETATM 5649 H2 HOH Z 557 -8.195 6.067 10.305 1.00 0.00 H +HETATM 5650 O HOH Z 558 -3.666 15.659 7.999 1.00 53.87 O +HETATM 5651 H1 HOH Z 558 -3.529 15.690 7.008 1.00 0.00 H +HETATM 5652 H2 HOH Z 558 -3.025 15.001 8.402 1.00 0.00 H +HETATM 5653 O HOH Z 559 15.812 16.002 -8.895 1.00 49.56 O +HETATM 5654 H1 HOH Z 559 15.230 16.498 -8.249 1.00 0.00 H +HETATM 5655 H2 HOH Z 559 16.438 16.643 -9.339 1.00 0.00 H +HETATM 5656 O HOH Z 560 5.136 -16.517 5.178 1.00 29.59 O +HETATM 5657 H1 HOH Z 560 5.863 -15.848 5.346 1.00 0.00 H +HETATM 5658 H2 HOH Z 560 5.538 -17.360 4.818 1.00 0.00 H +HETATM 5659 O HOH Z 561 16.804 -14.232 7.646 1.00 38.36 O +HETATM 5660 H1 HOH Z 561 16.875 -13.671 8.472 1.00 0.00 H +HETATM 5661 H2 HOH Z 561 16.010 -13.934 7.112 1.00 0.00 H +HETATM 5662 O HOH Z 562 -2.879 5.305 -10.967 1.00 33.51 O +HETATM 5663 H1 HOH Z 562 -2.627 4.591 -11.624 1.00 0.00 H +HETATM 5664 H2 HOH Z 562 -2.971 6.180 -11.446 1.00 0.00 H +HETATM 5665 O HOH Z 563 15.169 12.540 -4.111 1.00 40.27 O +HETATM 5666 H1 HOH Z 563 15.188 13.404 -4.620 1.00 0.00 H +HETATM 5667 H2 HOH Z 563 15.269 12.732 -3.134 1.00 0.00 H +HETATM 5668 O HOH Z 564 12.270 22.000 -0.426 1.00 59.64 O +HETATM 5669 H1 HOH Z 564 11.749 21.147 -0.338 1.00 0.00 H +HETATM 5670 H2 HOH Z 564 11.863 22.697 0.164 1.00 0.00 H +HETATM 5671 O HOH Z 565 7.292 3.537 6.531 1.00 31.51 O +HETATM 5672 H1 HOH Z 565 6.773 4.378 6.686 1.00 0.00 H +HETATM 5673 H2 HOH Z 565 6.668 2.809 6.242 1.00 0.00 H +HETATM 5674 O HOH Z 566 1.431 17.955 3.585 1.00 34.64 O +HETATM 5675 H1 HOH Z 566 1.822 18.870 3.483 1.00 0.00 H +HETATM 5676 H2 HOH Z 566 1.814 17.518 4.400 1.00 0.00 H +HETATM 5677 O HOH Z 567 -7.933 8.519 12.260 1.00 45.05 O +HETATM 5678 H1 HOH Z 567 -7.638 7.885 12.979 1.00 0.00 H +HETATM 5679 H2 HOH Z 567 -7.173 8.677 11.627 1.00 0.00 H +HETATM 5680 O HOH Z 568 -10.472 21.390 -6.639 1.00 50.72 O +HETATM 5681 H1 HOH Z 568 -10.139 22.325 -6.763 1.00 0.00 H +HETATM 5682 H2 HOH Z 568 -10.456 21.159 -5.662 1.00 0.00 H +HETATM 5683 O HOH Z 569 -14.373 13.842 3.553 1.00 45.18 O +HETATM 5684 H1 HOH Z 569 -14.772 14.633 3.083 1.00 0.00 H +HETATM 5685 H2 HOH Z 569 -13.658 14.156 4.179 1.00 0.00 H +HETATM 5686 O HOH Z 570 5.448 17.099 8.811 1.00 39.41 O +HETATM 5687 H1 HOH Z 570 5.681 16.872 7.863 1.00 0.00 H +HETATM 5688 H2 HOH Z 570 4.456 17.191 8.895 1.00 0.00 H +HETATM 5689 O HOH Z 571 -11.755 -13.644 3.986 1.00 32.52 O +HETATM 5690 H1 HOH Z 571 -10.864 -14.102 4.008 1.00 0.00 H +HETATM 5691 H2 HOH Z 571 -12.430 -14.205 4.469 1.00 0.00 H +HETATM 5692 O HOH Z 572 5.407 8.663 14.415 1.00 36.36 O +HETATM 5693 H1 HOH Z 572 4.452 8.631 14.716 1.00 0.00 H +HETATM 5694 H2 HOH Z 572 5.923 7.935 14.868 1.00 0.00 H +HETATM 5695 O HOH Z 573 6.871 5.124 -8.435 1.00 34.09 O +HETATM 5696 H1 HOH Z 573 6.711 4.771 -7.511 1.00 0.00 H +HETATM 5697 H2 HOH Z 573 6.308 5.938 -8.582 1.00 0.00 H +HETATM 5698 O HOH Z 574 -17.341 5.676 -7.619 1.00 47.98 O +HETATM 5699 H1 HOH Z 574 -17.876 6.201 -6.955 1.00 0.00 H +HETATM 5700 H2 HOH Z 574 -17.338 6.156 -8.497 1.00 0.00 H +HETATM 5701 O HOH Z 575 -7.148 -11.283 14.911 1.00 36.20 O +HETATM 5702 H1 HOH Z 575 -8.066 -11.566 15.189 1.00 0.00 H +HETATM 5703 H2 HOH Z 575 -6.985 -10.343 15.212 1.00 0.00 H +HETATM 5704 O HOH Z 576 0.452 5.527 -11.725 1.00 47.07 O +HETATM 5705 H1 HOH Z 576 0.035 5.956 -10.923 1.00 0.00 H +HETATM 5706 H2 HOH Z 576 0.087 5.949 -12.555 1.00 0.00 H +HETATM 5707 O HOH Z 577 1.304 21.105 -15.193 1.00 49.50 O +HETATM 5708 H1 HOH Z 577 1.716 21.778 -15.807 1.00 0.00 H +HETATM 5709 H2 HOH Z 577 0.310 21.220 -15.193 1.00 0.00 H +HETATM 5710 O HOH Z 578 3.069 -12.615 9.228 1.00 37.07 O +HETATM 5711 H1 HOH Z 578 3.101 -12.191 10.134 1.00 0.00 H +HETATM 5712 H2 HOH Z 578 3.923 -13.109 9.058 1.00 0.00 H +HETATM 5713 O HOH Z 579 -5.625 -4.412 -7.403 1.00 28.49 O +HETATM 5714 H1 HOH Z 579 -6.351 -4.647 -6.755 1.00 0.00 H +HETATM 5715 H2 HOH Z 579 -5.793 -3.499 -7.775 1.00 0.00 H +HETATM 5716 O HOH Z 580 0.959 -24.553 -31.756 1.00 53.08 O +HETATM 5717 H1 HOH Z 580 0.189 -23.979 -31.466 1.00 0.00 H +HETATM 5718 H2 HOH Z 580 1.819 -24.098 -31.519 1.00 0.00 H +HETATM 5719 O HOH Z 581 14.952 1.465 6.142 1.00 40.19 O +HETATM 5720 H1 HOH Z 581 15.611 1.916 5.537 1.00 0.00 H +HETATM 5721 H2 HOH Z 581 15.279 1.517 7.086 1.00 0.00 H +HETATM 5722 O HOH Z 582 -8.735 4.491 21.863 1.00 38.30 O +HETATM 5723 H1 HOH Z 582 -7.919 4.112 22.303 1.00 0.00 H +HETATM 5724 H2 HOH Z 582 -9.486 4.516 22.523 1.00 0.00 H +HETATM 5725 O HOH Z 583 2.950 -18.149 -4.052 1.00 52.31 O +HETATM 5726 H1 HOH Z 583 3.592 -18.905 -4.187 1.00 0.00 H +HETATM 5727 H2 HOH Z 583 2.194 -18.235 -4.702 1.00 0.00 H +HETATM 5728 O HOH Z 584 8.023 1.150 -12.870 1.00 50.44 O +HETATM 5729 H1 HOH Z 584 8.883 0.779 -12.519 1.00 0.00 H +HETATM 5730 H2 HOH Z 584 7.617 1.755 -12.183 1.00 0.00 H +HETATM 5731 O HOH Z 585 -0.790 12.337 -20.470 1.00 69.19 O +HETATM 5732 H1 HOH Z 585 -1.599 12.720 -20.017 1.00 0.00 H +HETATM 5733 H2 HOH Z 585 -0.086 13.043 -20.548 1.00 0.00 H +HETATM 5734 O HOH Z 586 7.444 -17.869 2.655 1.00 48.96 O +HETATM 5735 H1 HOH Z 586 8.427 -18.048 2.707 1.00 0.00 H +HETATM 5736 H2 HOH Z 586 6.954 -18.738 2.570 1.00 0.00 H +HETATM 5737 O HOH Z 587 -10.781 11.098 -17.443 1.00 54.41 O +HETATM 5738 H1 HOH Z 587 -10.846 12.089 -17.566 1.00 0.00 H +HETATM 5739 H2 HOH Z 587 -11.201 10.639 -18.227 1.00 0.00 H +HETATM 5740 O HOH Z 588 -5.640 2.032 -16.771 1.00 43.63 O +HETATM 5741 H1 HOH Z 588 -6.360 1.377 -16.539 1.00 0.00 H +HETATM 5742 H2 HOH Z 588 -5.717 2.835 -16.172 1.00 0.00 H +HETATM 5743 O HOH Z 589 -13.265 7.077 9.154 1.00 36.11 O +HETATM 5744 H1 HOH Z 589 -14.016 7.150 9.813 1.00 0.00 H +HETATM 5745 H2 HOH Z 589 -12.649 6.338 9.433 1.00 0.00 H +HETATM 5746 O HOH Z 590 -0.516 -13.071 -20.235 1.00 55.00 O +HETATM 5747 H1 HOH Z 590 -0.196 -13.807 -20.833 1.00 0.00 H +HETATM 5748 H2 HOH Z 590 -0.775 -13.453 -19.348 1.00 0.00 H +HETATM 5749 O HOH Z 591 -16.156 4.132 -12.718 1.00 70.30 O +HETATM 5750 H1 HOH Z 591 -15.790 3.782 -11.854 1.00 0.00 H +HETATM 5751 H2 HOH Z 591 -16.275 5.123 -12.649 1.00 0.00 H +HETATM 5752 O HOH Z 592 18.899 0.633 -17.748 1.00 51.47 O +HETATM 5753 H1 HOH Z 592 18.000 0.250 -17.531 1.00 0.00 H +HETATM 5754 H2 HOH Z 592 18.926 0.893 -18.713 1.00 0.00 H +HETATM 5755 O HOH Z 593 3.604 -13.336 -21.140 1.00 56.06 O +HETATM 5756 H1 HOH Z 593 2.950 -13.952 -21.587 1.00 0.00 H +HETATM 5757 H2 HOH Z 593 4.523 -13.730 -21.201 1.00 0.00 H +HETATM 5758 O HOH Z 594 -19.846 12.832 4.420 1.00 54.32 O +HETATM 5759 H1 HOH Z 594 -20.178 12.463 3.546 1.00 0.00 H +HETATM 5760 H2 HOH Z 594 -20.299 13.704 4.603 1.00 0.00 H +HETATM 5761 O HOH Z 595 23.204 -8.098 1.938 1.00 35.17 O +HETATM 5762 H1 HOH Z 595 22.686 -7.257 1.758 1.00 0.00 H +HETATM 5763 H2 HOH Z 595 24.100 -7.862 2.312 1.00 0.00 H +HETATM 5764 O HOH Z 596 -18.157 10.995 -7.932 1.00 68.72 O +HETATM 5765 H1 HOH Z 596 -18.314 11.946 -8.202 1.00 0.00 H +HETATM 5766 H2 HOH Z 596 -18.136 10.935 -6.933 1.00 0.00 H +HETATM 5767 O HOH Z 597 -15.273 -15.294 -1.891 1.00 52.94 O +HETATM 5768 H1 HOH Z 597 -14.405 -15.502 -2.344 1.00 0.00 H +HETATM 5769 H2 HOH Z 597 -15.963 -15.076 -2.582 1.00 0.00 H +HETATM 5770 O HOH Z 598 -14.172 10.034 -11.427 1.00 51.07 O +HETATM 5771 H1 HOH Z 598 -13.365 10.092 -10.836 1.00 0.00 H +HETATM 5772 H2 HOH Z 598 -14.935 10.516 -10.996 1.00 0.00 H +HETATM 5773 O HOH Z 599 20.261 -6.255 4.107 1.00 67.44 O +HETATM 5774 H1 HOH Z 599 20.402 -5.549 4.800 1.00 0.00 H +HETATM 5775 H2 HOH Z 599 20.813 -6.039 3.296 1.00 0.00 H +HETATM 5776 O HOH Z 600 -12.646 15.666 -21.744 1.00 60.31 O +HETATM 5777 H1 HOH Z 600 -12.752 15.055 -22.529 1.00 0.00 H +HETATM 5778 H2 HOH Z 600 -13.546 15.857 -21.350 1.00 0.00 H +HETATM 5779 O HOH Z 601 -3.156 -17.958 -6.053 1.00 43.66 O +HETATM 5780 H1 HOH Z 601 -3.311 -17.273 -5.339 1.00 0.00 H +HETATM 5781 H2 HOH Z 601 -4.026 -18.386 -6.298 1.00 0.00 H +HETATM 5782 O HOH Z 602 2.134 10.908 12.392 1.00 40.44 O +HETATM 5783 H1 HOH Z 602 1.167 10.651 12.435 1.00 0.00 H +HETATM 5784 H2 HOH Z 602 2.699 10.087 12.468 1.00 0.00 H +HETATM 5785 O HOH Z 603 10.293 -3.746 11.764 1.00 50.58 O +HETATM 5786 H1 HOH Z 603 10.050 -4.614 11.323 1.00 0.00 H +HETATM 5787 H2 HOH Z 603 9.959 -2.986 11.204 1.00 0.00 H +HETATM 5788 O HOH Z 604 -11.120 -4.201 -7.756 1.00 45.80 O +HETATM 5789 H1 HOH Z 604 -12.031 -4.191 -7.339 1.00 0.00 H +HETATM 5790 H2 HOH Z 604 -10.884 -3.272 -8.050 1.00 0.00 H +HETATM 5791 O HOH Z 605 -2.736 7.011 -15.057 1.00 45.97 O +HETATM 5792 H1 HOH Z 605 -3.079 6.072 -15.091 1.00 0.00 H +HETATM 5793 H2 HOH Z 605 -2.754 7.405 -15.976 1.00 0.00 H +HETATM 5794 O HOH Z 606 -1.581 -13.974 -16.743 1.00 45.76 O +HETATM 5795 H1 HOH Z 606 -1.791 -13.111 -16.281 1.00 0.00 H +HETATM 5796 H2 HOH Z 606 -2.096 -14.715 -16.312 1.00 0.00 H +HETATM 5797 O HOH Z 607 20.173 -18.373 12.602 1.00 48.60 O +HETATM 5798 H1 HOH Z 607 20.541 -17.510 12.254 1.00 0.00 H +HETATM 5799 H2 HOH Z 607 19.953 -18.975 11.835 1.00 0.00 H +HETATM 5800 O HOH Z 608 22.395 18.475 -8.547 1.00 49.26 O +HETATM 5801 H1 HOH Z 608 21.796 17.993 -7.901 1.00 0.00 H +HETATM 5802 H2 HOH Z 608 21.910 18.609 -9.410 1.00 0.00 H +HETATM 5803 O HOH Z 609 -1.254 19.418 -6.192 1.00 45.55 O +HETATM 5804 H1 HOH Z 609 -1.019 19.594 -5.236 1.00 0.00 H +HETATM 5805 H2 HOH Z 609 -2.236 19.566 -6.325 1.00 0.00 H +HETATM 5806 O HOH Z 610 0.993 -6.245 -29.776 1.00 57.57 O +HETATM 5807 H1 HOH Z 610 0.582 -5.829 -28.965 1.00 0.00 H +HETATM 5808 H2 HOH Z 610 0.399 -6.091 -30.566 1.00 0.00 H +HETATM 5809 O HOH Z 611 5.805 -15.971 -2.541 1.00 44.06 O +HETATM 5810 H1 HOH Z 611 4.948 -16.282 -2.954 1.00 0.00 H +HETATM 5811 H2 HOH Z 611 6.560 -16.142 -3.176 1.00 0.00 H +HETATM 5812 O HOH Z 612 -7.215 9.516 6.342 1.00 41.38 O +HETATM 5813 H1 HOH Z 612 -7.655 10.048 5.618 1.00 0.00 H +HETATM 5814 H2 HOH Z 612 -6.577 10.102 6.843 1.00 0.00 H +HETATM 5815 O HOH Z 613 -15.387 16.143 2.022 1.00 39.79 O +HETATM 5816 H1 HOH Z 613 -15.488 15.846 1.069 1.00 0.00 H +HETATM 5817 H2 HOH Z 613 -15.804 17.045 2.134 1.00 0.00 H +HETATM 5818 O HOH Z 614 6.797 4.084 14.259 1.00 37.90 O +HETATM 5819 H1 HOH Z 614 6.518 3.147 14.476 1.00 0.00 H +HETATM 5820 H2 HOH Z 614 6.728 4.231 13.269 1.00 0.00 H +HETATM 5821 O HOH Z 615 0.710 -12.278 11.481 1.00 38.37 O +HETATM 5822 H1 HOH Z 615 0.589 -12.841 10.661 1.00 0.00 H +HETATM 5823 H2 HOH Z 615 0.215 -12.695 12.246 1.00 0.00 H +HETATM 5824 O HOH Z 616 10.064 5.173 5.606 1.00 32.86 O +HETATM 5825 H1 HOH Z 616 9.832 4.231 5.859 1.00 0.00 H +HETATM 5826 H2 HOH Z 616 10.875 5.465 6.119 1.00 0.00 H +HETATM 5827 O HOH Z 617 -5.411 16.880 9.934 1.00 45.54 O +HETATM 5828 H1 HOH Z 617 -4.740 16.578 9.253 1.00 0.00 H +HETATM 5829 H2 HOH Z 617 -6.164 16.222 9.969 1.00 0.00 H +HETATM 5830 O HOH Z 618 -11.176 -1.517 -8.629 1.00 35.69 O +HETATM 5831 H1 HOH Z 618 -12.113 -1.636 -8.962 1.00 0.00 H +HETATM 5832 H2 HOH Z 618 -11.063 -0.584 -8.286 1.00 0.00 H +HETATM 5833 O HOH Z 619 7.671 -10.742 13.291 1.00 45.45 O +HETATM 5834 H1 HOH Z 619 7.187 -9.874 13.404 1.00 0.00 H +HETATM 5835 H2 HOH Z 619 8.540 -10.579 12.824 1.00 0.00 H +HETATM 5836 O HOH Z 620 10.207 2.224 6.009 1.00 36.87 O +HETATM 5837 H1 HOH Z 620 10.817 1.527 5.631 1.00 0.00 H +HETATM 5838 H2 HOH Z 620 9.272 2.057 5.685 1.00 0.00 H +HETATM 5839 O HOH Z 621 2.561 8.508 15.136 1.00 43.19 O +HETATM 5840 H1 HOH Z 621 1.771 8.499 14.517 1.00 0.00 H +HETATM 5841 H2 HOH Z 621 2.240 8.442 16.081 1.00 0.00 H +HETATM 5842 O HOH Z 622 -15.611 -11.346 13.495 1.00 44.00 O +HETATM 5843 H1 HOH Z 622 -14.685 -11.146 13.818 1.00 0.00 H +HETATM 5844 H2 HOH Z 622 -15.667 -12.306 13.217 1.00 0.00 H +HETATM 5845 O HOH Z 623 -9.013 -14.510 4.391 1.00 43.70 O +HETATM 5846 H1 HOH Z 623 -8.158 -14.308 3.912 1.00 0.00 H +HETATM 5847 H2 HOH Z 623 -9.050 -13.980 5.241 1.00 0.00 H +HETATM 5848 O HOH Z 624 15.615 17.531 10.716 1.00 49.00 O +HETATM 5849 H1 HOH Z 624 15.300 17.385 9.777 1.00 0.00 H +HETATM 5850 H2 HOH Z 624 16.597 17.344 10.770 1.00 0.00 H +HETATM 5851 O HOH Z 625 12.716 -8.496 14.762 1.00 49.98 O +HETATM 5852 H1 HOH Z 625 12.621 -8.856 13.831 1.00 0.00 H +HETATM 5853 H2 HOH Z 625 11.809 -8.297 15.134 1.00 0.00 H +HETATM 5854 O HOH Z 626 -15.393 7.276 11.217 1.00 43.75 O +HETATM 5855 H1 HOH Z 626 -15.268 6.731 12.048 1.00 0.00 H +HETATM 5856 H2 HOH Z 626 -15.574 8.227 11.468 1.00 0.00 H +HETATM 5857 O HOH Z 627 -13.092 9.617 4.093 1.00 46.99 O +HETATM 5858 H1 HOH Z 627 -13.202 10.204 3.290 1.00 0.00 H +HETATM 5859 H2 HOH Z 627 -12.289 9.034 3.971 1.00 0.00 H +HETATM 5860 O HOH Z 628 3.574 -4.865 16.582 1.00 41.16 O +HETATM 5861 H1 HOH Z 628 4.087 -4.746 15.729 1.00 0.00 H +HETATM 5862 H2 HOH Z 628 3.191 -5.788 16.612 1.00 0.00 H +HETATM 5863 O HOH Z 629 -0.820 0.598 -12.335 1.00 31.78 O +HETATM 5864 H1 HOH Z 629 -1.080 0.126 -11.489 1.00 0.00 H +HETATM 5865 H2 HOH Z 629 -0.447 -0.067 -12.983 1.00 0.00 H +HETATM 5866 O HOH Z 630 5.918 0.245 1.268 1.00 41.21 O +HETATM 5867 H1 HOH Z 630 6.907 0.104 1.366 1.00 0.00 H +HETATM 5868 H2 HOH Z 630 5.539 0.559 2.142 1.00 0.00 H +HETATM 5869 O HOH Z 631 5.529 1.418 15.399 1.00 50.90 O +HETATM 5870 H1 HOH Z 631 5.527 1.287 14.405 1.00 0.00 H +HETATM 5871 H2 HOH Z 631 4.727 0.974 15.796 1.00 0.00 H +HETATM 5872 O HOH Z 633 8.852 -1.911 9.722 1.00 40.32 O +HETATM 5873 H1 HOH Z 633 8.020 -1.481 10.083 1.00 0.00 H +HETATM 5874 H2 HOH Z 633 8.598 -2.679 9.130 1.00 0.00 H +HETATM 5875 O HOH Z 634 -23.327 14.205 -0.892 1.00 51.62 O +HETATM 5876 H1 HOH Z 634 -22.384 14.078 -0.577 1.00 0.00 H +HETATM 5877 H2 HOH Z 634 -23.824 13.342 -0.806 1.00 0.00 H +HETATM 5878 O HOH Z 635 2.221 15.374 8.776 1.00 47.96 O +HETATM 5879 H1 HOH Z 635 1.801 14.489 8.561 1.00 0.00 H +HETATM 5880 H2 HOH Z 635 1.671 15.843 9.467 1.00 0.00 H +HETATM 5881 O HOH Z 636 8.392 -4.447 8.304 1.00 31.82 O +HETATM 5882 H1 HOH Z 636 8.714 -5.061 9.029 1.00 0.00 H +HETATM 5883 H2 HOH Z 636 8.856 -4.673 7.446 1.00 0.00 H +HETATM 5884 O HOH Z 637 -15.070 5.639 13.678 1.00 51.39 O +HETATM 5885 H1 HOH Z 637 -14.853 4.732 13.315 1.00 0.00 H +HETATM 5886 H2 HOH Z 637 -14.482 5.830 14.467 1.00 0.00 H +HETATM 5887 O HOH Z 638 -2.601 21.562 -2.547 1.00 40.36 O +HETATM 5888 H1 HOH Z 638 -3.118 20.704 -2.531 1.00 0.00 H +HETATM 5889 H2 HOH Z 638 -3.220 22.327 -2.369 1.00 0.00 H +HETATM 5890 O HOH Z 639 -13.313 -2.030 24.358 1.00 43.54 O +HETATM 5891 H1 HOH Z 639 -13.585 -2.151 23.401 1.00 0.00 H +HETATM 5892 H2 HOH Z 639 -12.442 -1.541 24.397 1.00 0.00 H +HETATM 5893 O HOH Z 640 -9.782 17.935 -9.225 1.00 40.73 O +HETATM 5894 H1 HOH Z 640 -10.026 18.883 -9.020 1.00 0.00 H +HETATM 5895 H2 HOH Z 640 -10.600 17.361 -9.162 1.00 0.00 H +HETATM 5896 O HOH Z 641 16.564 12.848 -7.674 1.00 46.63 O +HETATM 5897 H1 HOH Z 641 16.383 13.727 -8.119 1.00 0.00 H +HETATM 5898 H2 HOH Z 641 16.358 12.921 -6.698 1.00 0.00 H +HETATM 5899 O HOH Z 642 -4.309 9.153 17.684 1.00 41.31 O +HETATM 5900 H1 HOH Z 642 -3.853 9.983 17.356 1.00 0.00 H +HETATM 5901 H2 HOH Z 642 -4.925 8.809 16.971 1.00 0.00 H +HETATM 5902 O HOH Z 643 6.363 18.516 -7.354 1.00 47.21 O +HETATM 5903 H1 HOH Z 643 6.828 17.844 -7.931 1.00 0.00 H +HETATM 5904 H2 HOH Z 643 6.816 18.554 -6.461 1.00 0.00 H +HETATM 5905 O HOH Z 644 -1.776 13.793 9.237 1.00 41.94 O +HETATM 5906 H1 HOH Z 644 -2.128 12.869 9.409 1.00 0.00 H +HETATM 5907 H2 HOH Z 644 -0.853 13.727 8.853 1.00 0.00 H +CONECT 5476 5477 5478 +CONECT 5477 5476 +CONECT 5478 5476 +CONECT 5479 5480 5481 +CONECT 5480 5479 +CONECT 5481 5479 +CONECT 5482 5483 5484 +CONECT 5483 5482 +CONECT 5484 5482 +CONECT 5485 5486 5487 +CONECT 5486 5485 +CONECT 5487 5485 +CONECT 5488 5489 5490 +CONECT 5489 5488 +CONECT 5490 5488 +CONECT 5491 5492 5493 +CONECT 5492 5491 +CONECT 5493 5491 +CONECT 5494 5495 5496 +CONECT 5495 5494 +CONECT 5496 5494 +CONECT 5497 5498 5499 +CONECT 5498 5497 +CONECT 5499 5497 +CONECT 5500 5501 5502 +CONECT 5501 5500 +CONECT 5502 5500 +CONECT 5503 5504 5505 +CONECT 5504 5503 +CONECT 5505 5503 +CONECT 5506 5507 5508 +CONECT 5507 5506 +CONECT 5508 5506 +CONECT 5509 5510 5511 +CONECT 5510 5509 +CONECT 5511 5509 +CONECT 5512 5513 5514 +CONECT 5513 5512 +CONECT 5514 5512 +CONECT 5515 5516 5517 +CONECT 5516 5515 +CONECT 5517 5515 +CONECT 5518 5519 5520 +CONECT 5519 5518 +CONECT 5520 5518 +CONECT 5521 5522 5523 +CONECT 5522 5521 +CONECT 5523 5521 +CONECT 5524 5525 5526 +CONECT 5525 5524 +CONECT 5526 5524 +CONECT 5527 5528 5529 +CONECT 5528 5527 +CONECT 5529 5527 +CONECT 5530 5531 5532 +CONECT 5531 5530 +CONECT 5532 5530 +CONECT 5533 5534 5535 +CONECT 5534 5533 +CONECT 5535 5533 +CONECT 5536 5537 5538 +CONECT 5537 5536 +CONECT 5538 5536 +CONECT 5539 5540 5541 +CONECT 5540 5539 +CONECT 5541 5539 +CONECT 5542 5543 5544 +CONECT 5543 5542 +CONECT 5544 5542 +CONECT 5545 5546 5547 +CONECT 5546 5545 +CONECT 5547 5545 +CONECT 5548 5549 5550 +CONECT 5549 5548 +CONECT 5550 5548 +CONECT 5551 5552 5553 +CONECT 5552 5551 +CONECT 5553 5551 +CONECT 5554 5555 5556 +CONECT 5555 5554 +CONECT 5556 5554 +CONECT 5557 5558 5559 +CONECT 5558 5557 +CONECT 5559 5557 +CONECT 5560 5561 5562 +CONECT 5561 5560 +CONECT 5562 5560 +CONECT 5563 5564 5565 +CONECT 5564 5563 +CONECT 5565 5563 +CONECT 5566 5567 5568 +CONECT 5567 5566 +CONECT 5568 5566 +CONECT 5569 5570 5571 +CONECT 5570 5569 +CONECT 5571 5569 +CONECT 5572 5573 5574 +CONECT 5573 5572 +CONECT 5574 5572 +CONECT 5575 5576 5577 +CONECT 5576 5575 +CONECT 5577 5575 +CONECT 5578 5579 5580 +CONECT 5579 5578 +CONECT 5580 5578 +CONECT 5581 5582 5583 +CONECT 5582 5581 +CONECT 5583 5581 +CONECT 5584 5585 5586 +CONECT 5585 5584 +CONECT 5586 5584 +CONECT 5587 5588 5589 +CONECT 5588 5587 +CONECT 5589 5587 +CONECT 5590 5591 5592 +CONECT 5591 5590 +CONECT 5592 5590 +CONECT 5593 5594 5595 +CONECT 5594 5593 +CONECT 5595 5593 +CONECT 5596 5597 5598 +CONECT 5597 5596 +CONECT 5598 5596 +CONECT 5599 5600 5601 +CONECT 5600 5599 +CONECT 5601 5599 +CONECT 5602 5603 5604 +CONECT 5603 5602 +CONECT 5604 5602 +CONECT 5605 5606 5607 +CONECT 5606 5605 +CONECT 5607 5605 +CONECT 5608 5609 5610 +CONECT 5609 5608 +CONECT 5610 5608 +CONECT 5611 5612 5613 +CONECT 5612 5611 +CONECT 5613 5611 +CONECT 5614 5615 5616 +CONECT 5615 5614 +CONECT 5616 5614 +CONECT 5617 5618 5619 +CONECT 5618 5617 +CONECT 5619 5617 +CONECT 5620 5621 5622 +CONECT 5621 5620 +CONECT 5622 5620 +CONECT 5623 5624 5625 +CONECT 5624 5623 +CONECT 5625 5623 +CONECT 5626 5627 5628 +CONECT 5627 5626 +CONECT 5628 5626 +CONECT 5629 5630 5631 +CONECT 5630 5629 +CONECT 5631 5629 +CONECT 5632 5633 5634 +CONECT 5633 5632 +CONECT 5634 5632 +CONECT 5635 5636 5637 +CONECT 5636 5635 +CONECT 5637 5635 +CONECT 5638 5639 5640 +CONECT 5639 5638 +CONECT 5640 5638 +CONECT 5641 5642 5643 +CONECT 5642 5641 +CONECT 5643 5641 +CONECT 5644 5645 5646 +CONECT 5645 5644 +CONECT 5646 5644 +CONECT 5647 5648 5649 +CONECT 5648 5647 +CONECT 5649 5647 +CONECT 5650 5651 5652 +CONECT 5651 5650 +CONECT 5652 5650 +CONECT 5653 5654 5655 +CONECT 5654 5653 +CONECT 5655 5653 +CONECT 5656 5657 5658 +CONECT 5657 5656 +CONECT 5658 5656 +CONECT 5659 5660 5661 +CONECT 5660 5659 +CONECT 5661 5659 +CONECT 5662 5663 5664 +CONECT 5663 5662 +CONECT 5664 5662 +CONECT 5665 5666 5667 +CONECT 5666 5665 +CONECT 5667 5665 +CONECT 5668 5669 5670 +CONECT 5669 5668 +CONECT 5670 5668 +CONECT 5671 5672 5673 +CONECT 5672 5671 +CONECT 5673 5671 +CONECT 5674 5675 5676 +CONECT 5675 5674 +CONECT 5676 5674 +CONECT 5677 5678 5679 +CONECT 5678 5677 +CONECT 5679 5677 +CONECT 5680 5681 5682 +CONECT 5681 5680 +CONECT 5682 5680 +CONECT 5683 5684 5685 +CONECT 5684 5683 +CONECT 5685 5683 +CONECT 5686 5687 5688 +CONECT 5687 5686 +CONECT 5688 5686 +CONECT 5689 5690 5691 +CONECT 5690 5689 +CONECT 5691 5689 +CONECT 5692 5693 5694 +CONECT 5693 5692 +CONECT 5694 5692 +CONECT 5695 5696 5697 +CONECT 5696 5695 +CONECT 5697 5695 +CONECT 5698 5699 5700 +CONECT 5699 5698 +CONECT 5700 5698 +CONECT 5701 5702 5703 +CONECT 5702 5701 +CONECT 5703 5701 +CONECT 5704 5705 5706 +CONECT 5705 5704 +CONECT 5706 5704 +CONECT 5707 5708 5709 +CONECT 5708 5707 +CONECT 5709 5707 +CONECT 5710 5711 5712 +CONECT 5711 5710 +CONECT 5712 5710 +CONECT 5713 5714 5715 +CONECT 5714 5713 +CONECT 5715 5713 +CONECT 5716 5717 5718 +CONECT 5717 5716 +CONECT 5718 5716 +CONECT 5719 5720 5721 +CONECT 5720 5719 +CONECT 5721 5719 +CONECT 5722 5723 5724 +CONECT 5723 5722 +CONECT 5724 5722 +CONECT 5725 5726 5727 +CONECT 5726 5725 +CONECT 5727 5725 +CONECT 5728 5729 5730 +CONECT 5729 5728 +CONECT 5730 5728 +CONECT 5731 5732 5733 +CONECT 5732 5731 +CONECT 5733 5731 +CONECT 5734 5735 5736 +CONECT 5735 5734 +CONECT 5736 5734 +CONECT 5737 5738 5739 +CONECT 5738 5737 +CONECT 5739 5737 +CONECT 5740 5741 5742 +CONECT 5741 5740 +CONECT 5742 5740 +CONECT 5743 5744 5745 +CONECT 5744 5743 +CONECT 5745 5743 +CONECT 5746 5747 5748 +CONECT 5747 5746 +CONECT 5748 5746 +CONECT 5749 5750 5751 +CONECT 5750 5749 +CONECT 5751 5749 +CONECT 5752 5753 5754 +CONECT 5753 5752 +CONECT 5754 5752 +CONECT 5755 5756 5757 +CONECT 5756 5755 +CONECT 5757 5755 +CONECT 5758 5759 5760 +CONECT 5759 5758 +CONECT 5760 5758 +CONECT 5761 5762 5763 +CONECT 5762 5761 +CONECT 5763 5761 +CONECT 5764 5765 5766 +CONECT 5765 5764 +CONECT 5766 5764 +CONECT 5767 5768 5769 +CONECT 5768 5767 +CONECT 5769 5767 +CONECT 5770 5771 5772 +CONECT 5771 5770 +CONECT 5772 5770 +CONECT 5773 5774 5775 +CONECT 5774 5773 +CONECT 5775 5773 +CONECT 5776 5777 5778 +CONECT 5777 5776 +CONECT 5778 5776 +CONECT 5779 5780 5781 +CONECT 5780 5779 +CONECT 5781 5779 +CONECT 5782 5783 5784 +CONECT 5783 5782 +CONECT 5784 5782 +CONECT 5785 5786 5787 +CONECT 5786 5785 +CONECT 5787 5785 +CONECT 5788 5789 5790 +CONECT 5789 5788 +CONECT 5790 5788 +CONECT 5791 5792 5793 +CONECT 5792 5791 +CONECT 5793 5791 +CONECT 5794 5795 5796 +CONECT 5795 5794 +CONECT 5796 5794 +CONECT 5797 5798 5799 +CONECT 5798 5797 +CONECT 5799 5797 +CONECT 5800 5801 5802 +CONECT 5801 5800 +CONECT 5802 5800 +CONECT 5803 5804 5805 +CONECT 5804 5803 +CONECT 5805 5803 +CONECT 5806 5807 5808 +CONECT 5807 5806 +CONECT 5808 5806 +CONECT 5809 5810 5811 +CONECT 5810 5809 +CONECT 5811 5809 +CONECT 5812 5813 5814 +CONECT 5813 5812 +CONECT 5814 5812 +CONECT 5815 5816 5817 +CONECT 5816 5815 +CONECT 5817 5815 +CONECT 5818 5819 5820 +CONECT 5819 5818 +CONECT 5820 5818 +CONECT 5821 5822 5823 +CONECT 5822 5821 +CONECT 5823 5821 +CONECT 5824 5825 5826 +CONECT 5825 5824 +CONECT 5826 5824 +CONECT 5827 5828 5829 +CONECT 5828 5827 +CONECT 5829 5827 +CONECT 5830 5831 5832 +CONECT 5831 5830 +CONECT 5832 5830 +CONECT 5833 5834 5835 +CONECT 5834 5833 +CONECT 5835 5833 +CONECT 5836 5837 5838 +CONECT 5837 5836 +CONECT 5838 5836 +CONECT 5839 5840 5841 +CONECT 5840 5839 +CONECT 5841 5839 +CONECT 5842 5843 5844 +CONECT 5843 5842 +CONECT 5844 5842 +CONECT 5845 5846 5847 +CONECT 5846 5845 +CONECT 5847 5845 +CONECT 5848 5849 5850 +CONECT 5849 5848 +CONECT 5850 5848 +CONECT 5851 5852 5853 +CONECT 5852 5851 +CONECT 5853 5851 +CONECT 5854 5855 5856 +CONECT 5855 5854 +CONECT 5856 5854 +CONECT 5857 5858 5859 +CONECT 5858 5857 +CONECT 5859 5857 +CONECT 5860 5861 5862 +CONECT 5861 5860 +CONECT 5862 5860 +CONECT 5863 5864 5865 +CONECT 5864 5863 +CONECT 5865 5863 +CONECT 5866 5867 5868 +CONECT 5867 5866 +CONECT 5868 5866 +CONECT 5869 5870 5871 +CONECT 5870 5869 +CONECT 5871 5869 +CONECT 5872 5873 5874 +CONECT 5873 5872 +CONECT 5874 5872 +CONECT 5875 5876 5877 +CONECT 5876 5875 +CONECT 5877 5875 +CONECT 5878 5879 5880 +CONECT 5879 5878 +CONECT 5880 5878 +CONECT 5881 5882 5883 +CONECT 5882 5881 +CONECT 5883 5881 +CONECT 5884 5885 5886 +CONECT 5885 5884 +CONECT 5886 5884 +CONECT 5887 5888 5889 +CONECT 5888 5887 +CONECT 5889 5887 +CONECT 5890 5891 5892 +CONECT 5891 5890 +CONECT 5892 5890 +CONECT 5893 5894 5895 +CONECT 5894 5893 +CONECT 5895 5893 +CONECT 5896 5897 5898 +CONECT 5897 5896 +CONECT 5898 5896 +CONECT 5899 5900 5901 +CONECT 5900 5899 +CONECT 5901 5899 +CONECT 5902 5903 5904 +CONECT 5903 5902 +CONECT 5904 5902 +CONECT 5905 5906 5907 +CONECT 5906 5905 +CONECT 5907 5905 +CONECT 1 4 5 6 +CONECT 4 1 +CONECT 5 1 +CONECT 6 1 +ENDMDL +END diff --git a/setup/chembl_1078774.sdf b/setup/chembl_1078774.sdf new file mode 100644 index 0000000..b768b76 --- /dev/null +++ b/setup/chembl_1078774.sdf @@ -0,0 +1,119 @@ +CHEMBL1078774 + 3D + Structure written by MMmdl. + 52 55 0 0 1 0 999 V2000 + 12.8146 0.8080 0.0689 C 0 0 0 0 0 0 + 11.9194 -0.1474 -0.7542 C 0 0 0 0 0 0 + 10.4685 0.3660 -0.7781 C 0 0 0 0 0 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[PATCH 2/7] support main and master for default branch name --- .github/workflows/CI.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 47ac9cb..993a464 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -4,9 +4,11 @@ on: push: branches: - main + - master pull_request: branches: - main + - master schedule: # nightly tests, 2 am - cron: "0 2 * * *" From 2845bf57bc54d22c1332dfd10b2fcfd9f6e3015d Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Fri, 17 Dec 2021 14:23:36 -0700 Subject: [PATCH 3/7] add hint to mybinder to use this image cache --- .github/workflows/build-image.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/build-image.yml b/.github/workflows/build-image.yml index ecbdd98..4b16e06 100644 --- a/.github/workflows/build-image.yml +++ b/.github/workflows/build-image.yml @@ -17,3 +17,4 @@ jobs: DOCKER_PASSWORD: ${{ secrets.QUAY_PASSWORD }} DOCKER_REGISTRY: "quay.io" IMAGE_NAME: "mikemhenry/openfe-notebooks" + MYBINDERORG_CACHE: true From 933ac2caea1e9597dd9b17f2f2dfc97184185640 Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Tue, 21 Dec 2021 22:36:21 -0700 Subject: [PATCH 4/7] Add concurrency section so we don't waste CI --- .github/workflows/CI.yml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 993a464..1264366 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -13,6 +13,13 @@ on: # nightly tests, 2 am - cron: "0 2 * * *" +concurrency: + # Probably overly cautious group naming. + # Commits to develop/master will cancel each other, but PRs will only cancel + # commits within the same PR + group: "${{ github.ref }}-${{ github.head_ref }}" + cancel-in-progress: true + defaults: run: From 0d2b57164a12322bb7c2063c5c71d536de3ceb04 Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Tue, 21 Dec 2021 22:36:47 -0700 Subject: [PATCH 5/7] remove openeye licese bits --- .github/workflows/CI.yml | 9 +-------- 1 file changed, 1 insertion(+), 8 deletions(-) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 1264366..2430d58 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -33,8 +33,6 @@ jobs: matrix: os: [ubuntu-latest, macos-10.15, macos-11] python-version: ["3.8", "3.9",] - env: - OE_LICENSE: ${{ github.workspace }}/oe_license.txt steps: - uses: actions/checkout@v2.4.0 @@ -56,16 +54,11 @@ jobs: uname -a df -h ulimit -a + - name: Environment Information run: | conda info conda list - - name: License OpenEye - run: | - echo "${SECRET_OE_LICENSE}" > ${OE_LICENSE} - python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()" - env: - SECRET_OE_LICENSE: ${{ secrets.OE_LICENSE }} - name: Run example notebooks run: | From 95223bdadd4fdd26bfd1d7aa0be18c82ba6bf8b3 Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Tue, 21 Dec 2021 22:38:22 -0700 Subject: [PATCH 6/7] remove extra env yaml --- .github/workflows/CI.yml | 2 +- devtools/conda-envs/test_env.yaml | 13 ------------- 2 files changed, 1 insertion(+), 14 deletions(-) delete mode 100644 devtools/conda-envs/test_env.yaml diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 2430d58..14da8df 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -40,7 +40,7 @@ jobs: - uses: conda-incubator/setup-miniconda@v2.1.1 with: python-version: "${{ matrix.python-version }}" - environment-file: devtools/conda-envs/test_env.yaml + environment-file: .binder/environment.yml activate-environment: test auto-activate-base: false mamba-version: "*" diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml deleted file mode 100644 index 7833a54..0000000 --- a/devtools/conda-envs/test_env.yaml +++ /dev/null @@ -1,13 +0,0 @@ -name: openfe-notebooks -channels: - - jaimergp/label/unsupported-cudatoolkit-shim - - conda-forge -dependencies: - # setup - - openmm - - openmmforcefields - - openff-toolkit - # CI - - pytest - - pytest-xdist - - nbval From 9ef12266dee55d8b5db4b9a1fb5ab3f2b02397bf Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Tue, 21 Dec 2021 22:44:30 -0700 Subject: [PATCH 7/7] only test one python version --- .github/workflows/CI.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 14da8df..f745d8c 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -32,7 +32,7 @@ jobs: fail-fast: false matrix: os: [ubuntu-latest, macos-10.15, macos-11] - python-version: ["3.8", "3.9",] + python-version: ["3.9",] steps: - uses: actions/checkout@v2.4.0