diff --git a/.editorconfig b/.editorconfig new file mode 100644 index 0000000..5973eb7 --- /dev/null +++ b/.editorconfig @@ -0,0 +1,36 @@ +# Check http://editorconfig.org for more information + +root = true + +[*] +indent_style = space +indent_size = 4 +trim_trailing_whitespace = true +insert_final_newline = true +charset = utf-8 +end_of_line = lf + +[*.{py, pyi}] +indent_style = space +indent_size = 4 + +[*.bat] +indent_style = tab +end_of_line = crlf + +[Makefile] +indent_style = tab + +[*.{yml, yaml}] +indent_size = 2 +trim_trailing_whitespace = true + +[*.md] +indent_size = 4 +trim_trailing_whitespace = true + +[LICENSE] +insert_final_newline = false + +[*.{diff,patch}] +trim_trailing_whitespace = false diff --git a/.gitattributes b/.gitattributes new file mode 100644 index 0000000..d592b25 --- /dev/null +++ b/.gitattributes @@ -0,0 +1,11 @@ +# Set the default behavior, in case people don't have core.autocrlf set. +* text=auto +# Explicitly declare text files you want to always be normalized and converted +# to native line endings on checkout. +*.md text +# Denote all files that are truly binary and should not be modified. +*.png binary +*.jpg binary +*.nc binary +*.rst binary + diff --git a/.github/ISSUE_TEMPLATE/bug_report.md b/.github/ISSUE_TEMPLATE/bug_report.md new file mode 100644 index 0000000..45831b1 --- /dev/null +++ b/.github/ISSUE_TEMPLATE/bug_report.md @@ -0,0 +1,42 @@ +--- +name: πŸ› Bug report +about: If something isn't working πŸ”§ +title: '' +labels: bug +assignees: +--- + +## Bug Report + + + +## How To Reproduce + +Steps to reproduce the behavior: + +1. ... + +### Code sample + + + +### Environment + +- OS: [e.g. Linux / Windows / macOS] +- Python version, get it with: + +```bash +python --version +``` + +### Screenshots + + + +## Expected behavior + + + +## Additional context + + diff --git a/.github/ISSUE_TEMPLATE/config.yml b/.github/ISSUE_TEMPLATE/config.yml new file mode 100644 index 0000000..8f2da54 --- /dev/null +++ b/.github/ISSUE_TEMPLATE/config.yml @@ -0,0 +1,3 @@ +# Configuration: https://help.github.com/en/github/building-a-strong-community/configuring-issue-templates-for-your-repository + +blank_issues_enabled: false diff --git a/.github/ISSUE_TEMPLATE/feature_request.md b/.github/ISSUE_TEMPLATE/feature_request.md new file mode 100644 index 0000000..f17ec5a --- /dev/null +++ b/.github/ISSUE_TEMPLATE/feature_request.md @@ -0,0 +1,23 @@ +--- +name: πŸš€ Feature request +about: Suggest an idea for this project πŸ– +title: '' +labels: enhancement +assignees: +--- + +## Feature Request + + + +## Motivation + + + +## Alternatives + + + +## Additional context + + diff --git a/.github/ISSUE_TEMPLATE/question.md b/.github/ISSUE_TEMPLATE/question.md new file mode 100644 index 0000000..9f496ba --- /dev/null +++ b/.github/ISSUE_TEMPLATE/question.md @@ -0,0 +1,25 @@ +--- +name: ❓ Question +about: Ask a question about this project πŸŽ“ +title: '' +labels: question +assignees: +--- + +## Checklist + + + +- [ ] I've searched the project's [`issues`](https://github.com/durrantlab/subpex/issues?q=is%3Aissue). + +## Question + + + +How can I [...]? + +Is it possible to [...]? + +## Additional context + + diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md new file mode 100644 index 0000000..9399b0e --- /dev/null +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -0,0 +1,29 @@ +## Description + + + +## Related Issue + + + +## Type of Change + + + +- [ ] πŸ“š Examples / docs / tutorials / dependencies update +- [ ] πŸ”§ Bug fix (non-breaking change which fixes an issue) +- [ ] πŸ₯‚ Improvement (non-breaking change which improves an existing feature) +- [ ] πŸš€ New feature (non-breaking change which adds functionality) +- [ ] πŸ’₯ Breaking change (fix or feature that would cause existing functionality to change) +- [ ] πŸ” Security fix + +## Checklist + + + +- [ ] I have updated the code style using `make codestyle`. +- [ ] I have performed a self-review of my code. +- [ ] I have written tests for all new methods and classes that I created. +- [ ] New and existing unit tests pass locally with my changes. +- [ ] I have written the docstring in `NumPy` format for all the methods and classes that I used. +- [ ] I have made corresponding changes to the documentation. diff --git a/.github/release-drafter.yml b/.github/release-drafter.yml new file mode 100644 index 0000000..adab82d --- /dev/null +++ b/.github/release-drafter.yml @@ -0,0 +1,28 @@ +# Release drafter configuration https://github.com/release-drafter/release-drafter#configuration +# Emojis were chosen to match the https://gitmoji.carloscuesta.me/ + +name-template: "v$NEXT_PATCH_VERSION" +tag-template: "v$NEXT_PATCH_VERSION" + +categories: + - title: ":rocket: Features" + labels: [enhancement, feature] + - title: ":wrench: Fixes & Refactoring" + labels: [bug, refactoring, bugfix, fix] + - title: ":package: Build System & CI/CD" + labels: [build, ci, testing] + - title: ":boom: Breaking Changes" + labels: [breaking] + - title: ":pencil: Documentation" + labels: [documentation] + - title: ":arrow_up: Dependencies updates" + labels: [dependencies] + +template: | + ## What's Changed + + $CHANGES + + ## :busts_in_silhouette: List of contributors + + $CONTRIBUTORS diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml new file mode 100644 index 0000000..15d74e3 --- /dev/null +++ b/.github/workflows/build.yml @@ -0,0 +1,43 @@ + +name: build + +on: + push: + branches: [ "main" ] + pull_request: + branches: [ "main" ] + # Allows you to run this workflow manually from the Actions tab + workflow_dispatch: + +jobs: + build: + runs-on: ubuntu-latest + strategy: + matrix: + python-version: ["3.9"] + + steps: + - name: Checkout repo + uses: actions/checkout@v4 + + - name: Install miniconda + uses: conda-incubator/setup-miniconda@v2 + with: + miniconda-version: "latest" + auto-update-conda: true + python-version: ${{ matrix.python-version }} + + - name: Initialize conda environment + run: make conda-create + + - name: Setup conda + run: make conda-setup + + - name: Install conda dependencies + run: make from-conda-lock + + - name: Poetry install + run: make install + + - name: Run tests + run: make test diff --git a/.github/workflows/codecov.yml b/.github/workflows/codecov.yml new file mode 100644 index 0000000..487d858 --- /dev/null +++ b/.github/workflows/codecov.yml @@ -0,0 +1,50 @@ + +name: Codecov workflow + +on: + push: + branches: [ "main" ] + pull_request: + branches: [ "main" ] + # Allows you to run this workflow manually from the Actions tab + workflow_dispatch: + +jobs: + run: + name: codecov + runs-on: ubuntu-latest + + steps: + - name: Checkout code + uses: actions/checkout@v4 + + - name: Install miniconda + uses: conda-incubator/setup-miniconda@v2 + with: + miniconda-version: "latest" + auto-update-conda: true + # Set to the same as `PYTHON_VERSION` in `Makefile` + python-version: "3.12" + + - name: Initialize conda environment + run: make conda-create + + - name: Setup conda + run: make conda-setup + + - name: Install conda dependencies + run: make from-conda-lock + + - name: Poetry install + run: make install + + - name: Run tests and coverage + run: make test + + - name: Upload to Codecov + uses: codecov/codecov-action@v3 + with: + token: ${{ secrets.CODECOV_TOKEN }} + env_vars: OS,PYTHON + fail_ci_if_error: true + verbose: true diff --git a/.github/workflows/deploy-docs.yml b/.github/workflows/deploy-docs.yml new file mode 100644 index 0000000..83e584b --- /dev/null +++ b/.github/workflows/deploy-docs.yml @@ -0,0 +1,71 @@ + +# Simple workflow for deploying static content to GitHub Pages +name: Deploy content to Pages + +on: + # Runs on pushes targeting the default branch + push: + branches: ["main"] + + # Allows you to run this workflow manually from the Actions tab + workflow_dispatch: + +# Sets permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages +permissions: + contents: read + pages: write + id-token: write + +# Allow one concurrent deployment +concurrency: + group: "pages" + cancel-in-progress: true + +jobs: + deploy: + name: docs + environment: + name: github-pages + url: ${{ steps.deployment.outputs.page_url }} + runs-on: ubuntu-latest + + steps: + - name: Checkout + uses: actions/checkout@v4.0.0 + with: + fetch-depth: 0 + + - name: Install miniconda + uses: conda-incubator/setup-miniconda@v2 + with: + miniconda-version: "latest" + auto-update-conda: true + python-version: "3.12" + + - name: Initialize conda environment + run: make conda-create + + - name: Setup conda + run: make conda-setup + + - name: Install conda dependencies + run: make from-conda-lock + + - name: Poetry install + run: make install + + - name: Build documentation + run: make docs-versioned + + - name: Setup Pages + uses: actions/configure-pages@v3 + + - name: Upload artifact + uses: actions/upload-pages-artifact@v2 + with: + # Upload entire repository + path: './docs/html/' + + - name: Deploy to GitHub Pages + id: deployment + uses: actions/deploy-pages@v2 diff --git a/.github/workflows/linter.yml b/.github/workflows/linter.yml new file mode 100644 index 0000000..2125f00 --- /dev/null +++ b/.github/workflows/linter.yml @@ -0,0 +1,41 @@ + +name: Lint Code Base + +on: + push: + branches: [ "main" ] + pull_request: + branches: [ "main" ] + # Allows you to run this workflow manually from the Actions tab + workflow_dispatch: + +jobs: + build: + name: lint + runs-on: ubuntu-latest + + steps: + - name: Checkout repo + uses: actions/checkout@v4 + + - name: Install miniconda + uses: conda-incubator/setup-miniconda@v2 + with: + miniconda-version: "latest" + auto-update-conda: true + python-version: "3.12" + + - name: Initialize conda environment + run: make conda-create + + - name: Setup conda + run: make conda-setup + + - name: Install conda dependencies + run: make from-conda-lock + + - name: Poetry install + run: make install + + - name: Style checks + run: make check-codestyle diff --git a/.gitignore b/.gitignore index 07c1352..6fd5ae3 100644 --- a/.gitignore +++ b/.gitignore @@ -1,9 +1,14 @@ +*.orig + +*.nc +*.rst +*.prmtop + /venv/ /Test/ utils/settings.yaml *.sublime-project *.todo -*/__init__.py /.idea/ *sublime-workspace reference/mol.* @@ -28,3 +33,637 @@ wizard.saved.old west_old.h5 tmp_orig_to_reg.sh .DS_Store + + + + +# Created by https://www.gitignore.io/api/osx,python,pycharm,windows,visualstudio,visualstudiocode +# Edit at https://www.gitignore.io/?templates=osx,python,pycharm,windows,visualstudio,visualstudiocode + +### 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 + +### PyCharm ### +# Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion, Android Studio and WebStorm +# Reference: https://intellij-support.jetbrains.com/hc/en-us/articles/206544839 + +# User-specific stuff +.idea/**/workspace.xml +.idea/**/tasks.xml +.idea/**/usage.statistics.xml +.idea/**/dictionaries +.idea/**/shelf + +# Generated files +.idea/**/contentModel.xml + +# Sensitive or high-churn files +.idea/**/dataSources/ +.idea/**/dataSources.ids +.idea/**/dataSources.local.xml +.idea/**/sqlDataSources.xml +.idea/**/dynamic.xml +.idea/**/uiDesigner.xml +.idea/**/dbnavigator.xml + +# Gradle +.idea/**/gradle.xml +.idea/**/libraries + +# Gradle and Maven with auto-import +# When using Gradle or Maven with auto-import, you should exclude module files, +# since they will be recreated, and may cause churn. Uncomment if using +# auto-import. +# .idea/modules.xml +# .idea/*.iml +# .idea/modules +# *.iml +# *.ipr + +# CMake +cmake-build-*/ + +# Mongo Explorer plugin +.idea/**/mongoSettings.xml + +# File-based project format +*.iws + +# IntelliJ +out/ + +# mpeltonen/sbt-idea plugin +.idea_modules/ + +# JIRA plugin +atlassian-ide-plugin.xml + +# Cursive Clojure plugin +.idea/replstate.xml + +# Crashlytics plugin (for Android Studio and IntelliJ) +com_crashlytics_export_strings.xml +crashlytics.properties +crashlytics-build.properties +fabric.properties + +# Editor-based Rest Client +.idea/httpRequests + +# Android studio 3.1+ serialized cache file +.idea/caches/build_file_checksums.ser + +### PyCharm Patch ### +# Comment Reason: https://github.com/joeblau/gitignore.io/issues/186#issuecomment-215987721 + +# *.iml +# modules.xml +# .idea/misc.xml +# *.ipr + +# Sonarlint plugin +.idea/**/sonarlint/ + +# SonarQube Plugin +.idea/**/sonarIssues.xml + +# Markdown Navigator plugin +.idea/**/markdown-navigator.xml +.idea/**/markdown-navigator/ + +### 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/ +pip-wheel-metadata/ +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 +report.xml +*.cover +.hypothesis/ +.pytest_cache/ + +# Translations +*.mo +*.pot + +# Scrapy stuff: +.scrapy + +# Sphinx documentation +docs/_build/ + +# PyBuilder +target/ + +# pyenv +.python-version + +# poetry +.venv + +# 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 + +# celery beat schedule file +celerybeat-schedule + +# SageMath parsed files +*.sage.py + +# Spyder project settings +.spyderproject +.spyproject + +# Rope project settings +.ropeproject + +# Mr Developer +.mr.developer.cfg +.project +.pydevproject + +# mkdocs documentation +/site + +# mypy +.mypy_cache/ +.dmypy.json +dmypy.json + +# Pyre type checker +.pyre/ + +# Plugins +.secrets.baseline + +### VisualStudioCode ### +.vscode/* +!.vscode/tasks.json +!.vscode/launch.json +!.vscode/extensions.json + +### VisualStudioCode Patch ### +# Ignore all local history of files +.history + +### 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 +$RECYCLE.BIN/ + +# Windows Installer files +*.cab +*.msi +*.msix +*.msm +*.msp + +# Windows shortcuts +*.lnk + +### VisualStudio ### +## Ignore Visual Studio temporary files, build results, and +## files generated by popular Visual Studio add-ons. +## +## Get latest from https://github.com/github/gitignore/blob/master/VisualStudio.gitignore + +# User-specific files +*.rsuser +*.suo +*.user +*.userosscache +*.sln.docstates + +# User-specific files (MonoDevelop/Xamarin Studio) +*.userprefs + +# Mono auto generated files +mono_crash.* + +# Build results +[Dd]ebug/ +[Dd]ebugPublic/ +[Rr]elease/ +[Rr]eleases/ +x64/ +x86/ +[Aa][Rr][Mm]/ +[Aa][Rr][Mm]64/ +bld/ +[Bb]in/ +[Oo]bj/ +[Ll]og/ + +# Visual Studio 2015/2017 cache/options directory +.vs/ +# Uncomment if you have tasks that create the project's static files in wwwroot +#wwwroot/ + +# Visual Studio 2017 auto generated files +Generated\ Files/ + +# MSTest test Results +[Tt]est[Rr]esult*/ +[Bb]uild[Ll]og.* + +# NUnit +*.VisualState.xml +TestResult.xml +nunit-*.xml + +# Build Results of an ATL Project +[Dd]ebugPS/ +[Rr]eleasePS/ +dlldata.c + +# Benchmark Results +BenchmarkDotNet.Artifacts/ + +# .NET Core +project.lock.json +project.fragment.lock.json +artifacts/ + +# StyleCop +StyleCopReport.xml + +# Files built by Visual Studio +*_i.c +*_p.c +*_h.h +*.ilk +*.obj +*.iobj +*.pch +*.pdb +*.ipdb +*.pgc +*.pgd +*.rsp +*.sbr +*.tlb +*.tli +*.tlh +*.tmp +*.tmp_proj +*_wpftmp.csproj +*.log +*.vspscc +*.vssscc +.builds +*.pidb +*.svclog +*.scc + +# Chutzpah Test files +_Chutzpah* + +# Visual C++ cache files +ipch/ +*.aps +*.ncb +*.opendb +*.opensdf +*.sdf +*.cachefile +*.VC.db +*.VC.VC.opendb + +# Visual Studio profiler +*.psess +*.vsp +*.vspx +*.sap + +# Visual Studio Trace Files +*.e2e + +# TFS 2012 Local Workspace +$tf/ + +# Guidance Automation Toolkit +*.gpState + +# ReSharper is a .NET coding add-in +_ReSharper*/ +*.[Rr]e[Ss]harper +*.DotSettings.user + +# JustCode is a .NET coding add-in +.JustCode + +# TeamCity is a build add-in +_TeamCity* + +# DotCover is a Code Coverage Tool +*.dotCover + +# AxoCover is a Code Coverage Tool +.axoCover/* +!.axoCover/settings.json + +# Visual Studio code coverage results +*.coverage +*.coveragexml + +# NCrunch +_NCrunch_* +.*crunch*.local.xml +nCrunchTemp_* + +# MightyMoose +*.mm.* +AutoTest.Net/ + +# Web workbench (sass) +.sass-cache/ + +# Installshield output folder +[Ee]xpress/ + +# DocProject is a documentation generator add-in +DocProject/buildhelp/ +DocProject/Help/*.HxT +DocProject/Help/*.HxC +DocProject/Help/*.hhc +DocProject/Help/*.hhk +DocProject/Help/*.hhp +DocProject/Help/Html2 +DocProject/Help/html + +# Click-Once directory +publish/ + +# Publish Web Output +*.[Pp]ublish.xml +*.azurePubxml +# Note: Comment the next line if you want to checkin your web deploy settings, +# but database connection strings (with potential passwords) will be unencrypted +*.pubxml +*.publishproj + +# Microsoft Azure Web App publish settings. Comment the next line if you want to +# checkin your Azure Web App publish settings, but sensitive information contained +# in these scripts will be unencrypted +PublishScripts/ + +# NuGet Packages +*.nupkg +# NuGet Symbol Packages +*.snupkg +# The packages folder can be ignored because of Package Restore +**/[Pp]ackages/* +# except build/, which is used as an MSBuild target. +!**/[Pp]ackages/build/ +# Uncomment if necessary however generally it will be regenerated when needed +#!**/[Pp]ackages/repositories.config +# NuGet v3's project.json files produces more ignorable files +*.nuget.props +*.nuget.targets + +# Microsoft Azure Build Output +csx/ +*.build.csdef + +# Microsoft Azure Emulator +ecf/ +rcf/ + +# Windows Store app package directories and files +AppPackages/ +BundleArtifacts/ +Package.StoreAssociation.xml +_pkginfo.txt +*.appx +*.appxbundle +*.appxupload + +# Visual Studio cache files +# files ending in .cache can be ignored +*.[Cc]ache +# but keep track of directories ending in .cache +!?*.[Cc]ache/ + +# Others +ClientBin/ +~$* +*~ +*.dbmdl +*.dbproj.schemaview +*.jfm +*.pfx +*.publishsettings +orleans.codegen.cs + +# Including strong name files can present a security risk +# (https://github.com/github/gitignore/pull/2483#issue-259490424) +#*.snk + +# Since there are multiple workflows, uncomment next line to ignore bower_components +# (https://github.com/github/gitignore/pull/1529#issuecomment-104372622) +#bower_components/ + +# RIA/Silverlight projects +Generated_Code/ + +# Backup & report files from converting an old project file +# to a newer Visual Studio version. Backup files are not needed, +# because we have git ;-) +_UpgradeReport_Files/ +Backup*/ +UpgradeLog*.XML +UpgradeLog*.htm +ServiceFabricBackup/ +*.rptproj.bak + +# SQL Server files +*.mdf +*.ldf +*.ndf + +# Business Intelligence projects +*.rdl.data +*.bim.layout +*.bim_*.settings +*.rptproj.rsuser +*- [Bb]ackup.rdl +*- [Bb]ackup ([0-9]).rdl +*- [Bb]ackup ([0-9][0-9]).rdl + +# Microsoft Fakes +FakesAssemblies/ + +# GhostDoc plugin setting file +*.GhostDoc.xml + +# Node.js Tools for Visual Studio +.ntvs_analysis.dat +node_modules/ + +# Visual Studio 6 build log +*.plg + +# Visual Studio 6 workspace options file +*.opt + +# Visual Studio 6 auto-generated workspace file (contains which files were open etc.) +*.vbw + +# Visual Studio LightSwitch build output +**/*.HTMLClient/GeneratedArtifacts +**/*.DesktopClient/GeneratedArtifacts +**/*.DesktopClient/ModelManifest.xml +**/*.Server/GeneratedArtifacts +**/*.Server/ModelManifest.xml +_Pvt_Extensions + +# Paket dependency manager +.paket/paket.exe +paket-files/ + +# FAKE - F# Make +.fake/ + +# CodeRush personal settings +.cr/personal + +# Python Tools for Visual Studio (PTVS) +*.pyc + +# Cake - Uncomment if you are using it +# tools/** +# !tools/packages.config + +# Tabs Studio +*.tss + +# Telerik's JustMock configuration file +*.jmconfig + +# BizTalk build output +*.btp.cs +*.btm.cs +*.odx.cs +*.xsd.cs + +# OpenCover UI analysis results +OpenCover/ + +# Azure Stream Analytics local run output +ASALocalRun/ + +# MSBuild Binary and Structured Log +*.binlog + +# NVidia Nsight GPU debugger configuration file +*.nvuser + +# MFractors (Xamarin productivity tool) working folder +.mfractor/ + +# Local History for Visual Studio +.localhistory/ + +# BeatPulse healthcheck temp database +healthchecksdb + +# Backup folder for Package Reference Convert tool in Visual Studio 2017 +MigrationBackup/ + +# End of https://www.gitignore.io/api/osx,python,pycharm,windows,visualstudio,visualstudiocode + + +# Doc builds +docs/_build +public/ +docs/autoapi + +# psi4 +timer.dat +psi.*.clean + +tests/tmp/* +!tests/tmp/.gitkeep diff --git a/.markdownlint.yaml b/.markdownlint.yaml new file mode 100644 index 0000000..1fa301f --- /dev/null +++ b/.markdownlint.yaml @@ -0,0 +1,20 @@ +# https://github.com/DavidAnson/markdownlint/blob/main/schema/.markdownlint.yaml +MD007: + indent: 4 +MD013: false +MD022: false +MD024: false +MD026: false +MD028: false +MD030: + ol_multi: 2 + ol_single: 2 + ul_multi: 3 + ul_single: 3 +MD031: false +MD032: false +MD033: false +MD036: false +MD038: false +MD041: false +MD046: false diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml new file mode 100644 index 0000000..26f5212 --- /dev/null +++ b/.pre-commit-config.yaml @@ -0,0 +1,39 @@ +default_language_version: + python: python3.12 + +default_stages: [commit, push] + +repos: + + - repo: https://github.com/pre-commit/pre-commit-hooks + rev: v4.5.0 + hooks: + - id: mixed-line-ending + - id: trailing-whitespace + - id: check-json + - id: check-toml + - id: check-yaml + exclude: "mkdocs.yml" + - id: detect-private-key + + - repo: https://github.com/pycqa/isort + rev: 5.13.2 + hooks: + - id: isort + name: isort (python) + + - repo: https://github.com/psf/black-pre-commit-mirror + rev: 24.3.0 + hooks: + - id: black + language_version: python3.12 + + # - repo: https://github.com/astral-sh/ruff-pre-commit + # # Ruff version. + # rev: v0.4.4 + # hooks: + # # Run the linter. + # - id: ruff + # args: [ --fix ] + # # Run the formatter. + # - id: ruff-format diff --git a/CHANGELOG.md b/CHANGELOG.md index 8b13789..3050f27 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1 +1,7 @@ +# Changelog +The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). + +## [Unreleased] + +- Initial release! diff --git a/CODE_OF_CONDUCT.md b/CODE_OF_CONDUCT.md new file mode 100644 index 0000000..ff579b7 --- /dev/null +++ b/CODE_OF_CONDUCT.md @@ -0,0 +1,105 @@ +# Contributor Covenant Code of Conduct + +## Our Pledge + +We as members, contributors, and leaders pledge to make participation in our community a harassment-free experience for everyone, regardless of age, body size, visible or invisible disability, ethnicity, sex characteristics, gender identity and expression, level of experience, education, socio-economic status, nationality, personal appearance, race, caste, color, religion, or sexual identity and orientation. + +We pledge to act and interact in ways that contribute to an open, welcoming, diverse, inclusive, and healthy community. + +## Our Standards + +Examples of behavior that contributes to a positive environment for our community include: + +- Demonstrating empathy and kindness toward other people +- Being respectful of differing opinions, viewpoints, and experiences +- Giving and gracefully accepting constructive feedback +- Accepting responsibility and apologizing to those affected by our mistakes, and learning from the experience +- Focusing on what is best not just for us as individuals but for the overall community + +Examples of unacceptable behavior include: + +- The use of sexualized language or imagery and sexual attention or advances of any kind; +- Trolling, insulting or derogatory comments, and personal or political attacks; +- Public or private harassment; +- Publishing others' private information, such as a physical or email address, without their explicit permission; +- Other conduct that could reasonably be considered inappropriate in a professional setting. + +## Enforcement Responsibilities + +Community leaders are responsible for clarifying and enforcing our standards of acceptable behavior. +They will take appropriate and fair corrective action in response to any behavior that they deem inappropriate, threatening, offensive, or harmful. + +Community leaders have the right and responsibility to remove, edit, or reject comments, commits, code, wiki edits, issues, and other contributions that are not aligned with this Code of Conduct and will communicate reasons for moderation decisions when appropriate. + +## Scope + +This Code of Conduct applies within all community spaces and when an individual officially represents the community in public spaces. +Examples of representing our community include: + +- using an official email address, +- posting via an official social media account, +- or acting as an appointed representative at an online or offline event. + +## Enforcement + +Instances of abusive, harassing, or otherwise unacceptable behavior may be reported to the community leaders responsible for enforcement at . +All complaints will be reviewed and investigated promptly and fairly. + +All community leaders must respect the privacy and security of the reporter of any incident. + +## Enforcement Guidelines + +Community leaders will follow these Community Impact Guidelines in determining the consequences for any action they deem in violation of this Code of Conduct: + +### 1. Correction + +**Community Impact**: +Use of inappropriate language or other behavior deemed unprofessional or unwelcome in the community. + +**Consequence**: +A private, written warning from community leaders, providing clarity around the nature of the violation and an explanation of why the behavior was inappropriate. +A public apology may be requested. + +### 2. Warning + +**Community Impact**: +A violation through a single incident or series of actions. + +**Consequence**: +A warning with consequences for continued behavior. +No interaction with the people involved, including unsolicited interaction with those enforcing the Code of Conduct, for a specified period of time. +This includes avoiding interactions in community spaces and external channels like social media. +Violating these terms may lead to a temporary or permanent ban. + +### 3. Temporary Ban + +**Community Impact**: +A severe violation of community standards, including sustained inappropriate behavior. + +**Consequence**: +A temporary ban from any sort of interaction or public communication with the community for a specified period of time. +No public or private interaction with the people involved, including unsolicited interaction with those enforcing the Code of Conduct, is allowed during this period. +Violating these terms may lead to a permanent ban. + +### 4. Permanent Ban + +**Community Impact**: +Demonstrating a pattern of violation of community standards, including sustained inappropriate behavior, harassment of an individual, or aggression toward or disparagement of classes of individuals. + +**Consequence**: +A permanent ban from any sort of public interaction within the community. + +## Attribution + +This Code of Conduct is adapted from the [Contributor Covenant][homepage], version 2.1, available at [https://www.contributor-covenant.org/version/2/1/code_of_conduct.html][v2.1]. + +Community Impact Guidelines were inspired by [Mozilla's code of conduct enforcement ladder][Mozilla CoC]. + +For answers to common questions about this code of conduct, see the FAQ at [https://www.contributor-covenant.org/faq][FAQ]. +Translations are available at [https://www.contributor-covenant.org/translations][translations]. + +[homepage]: https://www.contributor-covenant.org +[v2.1]: https://www.contributor-covenant.org/version/2/1/code_of_conduct.html +[Mozilla CoC]: https://github.com/mozilla/diversity +[FAQ]: https://www.contributor-covenant.org/faq +[translations]: https://www.contributor-covenant.org/translations diff --git a/LICENSE.md b/LICENSE.md index 2e138dc..f05d624 100644 --- a/LICENSE.md +++ b/LICENSE.md @@ -1,26 +1,21 @@ -The MIT License (MIT) -===================== +# MIT License (MIT) -Copyright Β© `` `` +Copyright (c) 2024 durrantlab -Permission is hereby granted, free of charge, to any person -obtaining a copy of this software and associated documentation -files (the β€œSoftware”), to deal in the Software without -restriction, including without limitation the rights to use, -copy, modify, merge, publish, distribute, sublicense, and/or sell -copies of the Software, and to permit persons to whom the -Software is furnished to do so, subject to the following -conditions: +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: -The above copyright notice and this permission notice shall be -included in all copies or substantial portions of the Software. - -THE SOFTWARE IS PROVIDED β€œAS IS”, WITHOUT WARRANTY OF ANY KIND, -EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES -OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND -NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT -HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, -WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING -FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR -OTHER DEALINGS IN THE SOFTWARE. +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, +EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF +MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. +IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, +DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR +OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE +OR OTHER DEALINGS IN THE SOFTWARE. diff --git a/Makefile b/Makefile new file mode 100644 index 0000000..46b0f06 --- /dev/null +++ b/Makefile @@ -0,0 +1,195 @@ +SHELL := /usr/bin/env bash +PYTHON_VERSION := 3.12 +PYTHON_VERSION_CONDENSED := 312 +PACKAGE_NAME := subpex +PACKAGE_PATH := $(PACKAGE_NAME)/ +TESTS_PATH := tests/ +CONDA_NAME := $(PACKAGE_NAME)-dev +CONDA := conda run -n $(CONDA_NAME) +CONDA_LOCK_OPTIONS := -p linux-64 -p osx-64 -p win-64 --channel conda-forge + + +### ENVIRONMENT ### + +# See https://github.com/pypa/pip/issues/7883#issuecomment-643319919 +export PYTHON_KEYRING_BACKEND := keyring.backends.null.Keyring + +.PHONY: conda-create +conda-create: + - conda deactivate + conda remove -y -n $(CONDA_NAME) --all + conda create -y -n $(CONDA_NAME) + $(CONDA) conda install -y python=$(PYTHON_VERSION) + $(CONDA) conda install -y conda-lock + +# Default packages that we always need. +.PHONY: conda-setup +conda-setup: + $(CONDA) conda install -y -c conda-forge poetry + $(CONDA) conda install -y -c conda-forge pre-commit + $(CONDA) conda install -y -c conda-forge conda-poetry-liaison + +# Conda-only packages specific to this project. +.PHONY: conda-dependencies +conda-dependencies: + echo "No conda-only packages are required." + +.PHONY: nodejs-dependencies +nodejs-dependencies: + $(CONDA) conda install -y -c conda-forge nodejs + $(CONDA) npm install markdownlint-cli2 --global + +.PHONY: conda-lock +conda-lock: + - rm conda-lock.yml + $(CONDA) conda env export --from-history | grep -v "^prefix" > environment.yml + $(CONDA) conda-lock -f environment.yml $(CONDA_LOCK_OPTIONS) + $(CONDA) cpl-deps pyproject.toml --env_name $(CONDA_NAME) + $(CONDA) cpl-clean --env_name $(CONDA_NAME) + +.PHONY: from-conda-lock +from-conda-lock: + $(CONDA) conda-lock install -n $(CONDA_NAME) conda-lock.yml + $(CONDA) cpl-clean --env_name $(CONDA_NAME) + +.PHONY: pre-commit-install +pre-commit-install: + $(CONDA) pre-commit install + +# Reads `pyproject.toml`, solves environment, then writes lock file. +.PHONY: poetry-lock +poetry-lock: + $(CONDA) poetry lock --no-interaction + +.PHONY: install +install: + $(CONDA) poetry install --no-interaction + - mkdir .mypy_cache + - $(CONDA) mypy --install-types --non-interactive --explicit-package-bases $(PACKAGE_NAME) + +.PHONY: environment +environment: conda-create from-conda-lock pre-commit-install install + +.PHONY: locks +locks: conda-create conda-setup conda-dependencies nodejs-dependencies conda-lock pre-commit-install poetry-lock install + + + +### FORMATTING ### + +.PHONY: validate +validate: + - $(CONDA) markdownlint-cli2 "**.md" --config ./.markdownlint.yaml --fix + - $(CONDA) pre-commit run --all-files + +.PHONY: formatting +formatting: + - $(CONDA) isort --settings-path pyproject.toml ./ + - $(CONDA) black --config pyproject.toml ./ + - $(CONDA) ruff check . --fix --unsafe-fixes + + + +### TESTING ### + +.PHONY: test +test: + $(CONDA) pytest -c pyproject.toml --cov=$(PACKAGE_NAME) --cov-report=xml --junit-xml=report.xml --color=yes $(TESTS_PATH) + +.PHONY: coverage +coverage: + $(CONDA) coverage report + + + +### LINTING ### + +.PHONY: check-codestyle +check-codestyle: + $(CONDA) isort --diff --check-only $(PACKAGE_PATH) + $(CONDA) black --diff --check --config pyproject.toml $(PACKAGE_PATH) + - $(CONDA) pylint --rcfile pyproject.toml $(PACKAGE_PATH) + +.PHONY: mypy +mypy: + - $(CONDA) mypy --config-file pyproject.toml $(PACKAGE_PATH) + +.PHONY: lint +lint: check-codestyle mypy + + + +### BUILDING ### + +.PHONY: build +build: + $(CONDA) poetry build + + + +### CLEANING ### + +.PHONY: pycache-remove +pycache-remove: + find . | grep -E "(__pycache__|\.pyc|\.pyo$$)" | xargs rm -rf + +.PHONY: dsstore-remove +dsstore-remove: + find . | grep -E ".DS_Store" | xargs rm -rf + +.PHONY: mypycache-remove +mypycache-remove: + find . | grep -E ".mypy_cache" | xargs rm -rf + +.PHONY: ipynbcheckpoints-remove +ipynbcheckpoints-remove: + find . | grep -E ".ipynb_checkpoints" | xargs rm -rf + +.PHONY: pytestcache-remove +pytestcache-remove: + find . | grep -E ".pytest_cache" | xargs rm -rf + +.PHONY: pytest-coverage +pytest-coverage: + rm report.xml coverage.xml .coverage + +.PHONY: build-remove +build-remove: + rm -rf build/ + +.PHONY: cleanup +cleanup: pycache-remove dsstore-remove mypycache-remove ipynbcheckpoints-remove pytestcache-remove + + + +### DOCS ### + +mkdocs_port := $(shell \ + start_port=3000; \ + max_attempts=100; \ + for i in $$(seq 0 $$(($$max_attempts - 1))); do \ + current_port=$$(($$start_port + i)); \ + if ! lsof -i :$$current_port > /dev/null; then \ + echo $$current_port; \ + break; \ + fi; \ + if [ $$i -eq $$(($$max_attempts - 1)) ]; then \ + echo "Error: Unable to find an available port after $$max_attempts attempts."; \ + exit 1; \ + fi; \ + done \ +) + +.PHONY: serve +serve: + echo "Served at http://127.0.0.1:$(mkdocs_port)/" + $(CONDA) mkdocs serve -a localhost:$(mkdocs_port) + +.PHONY: docs +docs: + $(CONDA) mkdocs build -d public/ + - rm -f public/gen_ref_pages.py + +.PHONY: open-docs +open-docs: + xdg-open public/index.html 2>/dev/null diff --git a/README.md b/README.md index 5b19426..8e3de35 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,32 @@ -# SubPEx 1.0 +

SubPEx

+ +

Generate a diverse ensemble of protein conformations for use in ensemble docking

+ +

Documentation

+ +

+ + Build Status + + + codecov + + + GitHub release (latest by date) + + + License + + + GitHub repo size + + + Black style + + + Black style + +

## What is it? @@ -11,10 +39,10 @@ As with any WE implementation, SubPEx uses a progress coordinate to focus computational power on sampling phase space. The available progress coordinates are: -- composite RMSD (a linear combination of backbone and pocket heavy-atom RMSD) -- pocket heavy atoms RMSD -- backbone RMSD -- Jaccard distance of pocket volumes (jd) +- composite RMSD (a linear combination of backbone and pocket heavy-atom RMSD) +- pocket heavy atoms RMSD +- backbone RMSD +- Jaccard distance of pocket volumes (jd) We highly recommend using the composite RMSD progress coordinate. Use of other coordinates is not officially supported. @@ -46,12 +74,12 @@ Some users may wish to create their own environments or to use an existing WESTPA environment. If so, install the following packages so SubPEx can calculate the progress coordinate: -- Westpa -- MDAnalysis -- NumPy -- SciPy -- scikit-learn -- yaml +- Westpa +- MDAnalysis +- NumPy +- SciPy +- scikit-learn +- yaml Note that installing SubPEx into an existing environment is not officially supported. @@ -66,13 +94,13 @@ advanced/adventurous users. ___Link your preliminary, equilibrated simulation___ -1. SubPEx assumes you have already run preliminary simulations to equilibrate +1. SubPEx assumes you have already run preliminary simulations to equilibrate your system. Soft link or copy your preliminary, equilibrated trajectories and necessary restart files to the `./reference/` directory. Rename the files `mol` with the appropriate extension. (Note that `./reference/` already contains the `namd.md.conf` and `amber.prod_npt.in` template files, which SubPEX uses to interface with the NAMD and AMBER MD engines, respectively.) - - If using NAMD, soft link the `.dcd` file of the final equilibration run. + - If using NAMD, soft link the `.dcd` file of the final equilibration run. NAMD requires other files to restart simulations as well. Be sure to soft link the `.xsc`, `.coor`, and `.inpcrd` files as well. Remember the `.prmtop` file as well. @@ -85,7 +113,7 @@ ___Link your preliminary, equilibrated simulation___ ln -s /file/path/to/simulation/my_namd_file.prmtop /WEST/ROOT/reference/mol.prmtop ``` - - If using Amber, the filetype that works with the SubPEx algorithm is + - If using Amber, the filetype that works with the SubPEx algorithm is `.nc`. You need to soft link the `.rst` file of the final equilibration run as well. Remember the `.prmtop` file as well. @@ -95,7 +123,7 @@ ___Link your preliminary, equilibrated simulation___ ln -s /file/path/to/trajectory/my_amber_file.prmtop /WEST/ROOT/reference/mol.prmtop ``` -2. Extract the last frame of the preliminary, equilibrated trajectory as a `pdb` +2. Extract the last frame of the preliminary, equilibrated trajectory as a `pdb` file with your preferred molecular analysis program (e.g., VMD). Soft link that to the `./reference/` directory as well, and name the link `last_frame.pdb`. @@ -106,115 +134,115 @@ ___Link your preliminary, equilibrated simulation___ ___Edit the `west.cfg` file___ -1. Edit the following parameters in the `west.cfg` file: - - the directory portion of the path variables, though the basename itself +1. Edit the following parameters in the `west.cfg` file: + - the directory portion of the path variables, though the basename itself should not change. ___NOTE: Be sure to use full (not relative) paths.___ - - `reference`: the PDB file that will be used in EVERY SINGLE + - `reference`: the PDB file that will be used in EVERY SINGLE progress-coordinate calculation (the last frame of the preliminary, equilibrated simulation mentioned above). - - `selection_file`: path to a text file that will contain the pocket + - `selection_file`: path to a text file that will contain the pocket selection string (MDAnalysis selection notation). This file will be automatically generated in a subsequent step, but specify its future path here. - - `reference_fop`: path to an `xyz` file that will contain the field of + - `reference_fop`: path to an `xyz` file that will contain the field of points needed to calculate the `jd` progress coordinate. This file is also useful for visualizing the selected pocket. It will be automatically generated in a subsequent step. - - `west_home`: home directory of the SubPEx run. You'll most likely want + - `west_home`: home directory of the SubPEx run. You'll most likely want to use the same directory that contains the `west.cfg` file itself. - - `topology`: topology file needed for the MD simulations (likely the + - `topology`: topology file needed for the MD simulations (likely the same topology file used in the preliminary, equilibrated simulations). - - the progress coordinate (`pcoord`) to use. - - `composite`: composite RMSD (recommended) - - `prmsd`: pocket heavy atoms RMSD (not officially supported) - - `bb`: backbone RMSD (not officially supported) - - `jd`: Jaccard distance (not officially supported) - - the auxiliary data (`auxdata`) to calculate and save. - - `composite`: composite RMSD - - `prmsd`: pocket heavy atoms RMSD* - - `pvol`: pocket volume (requires `jd` too) - - `bb`: backbone RMSD - - `rog`: radius of gyration of the pocket (requires `jd` too) - - `jd`: Jaccard distance - - make sure that the WESTPA progress coordinate and auxdata match the SubPEx + - the progress coordinate (`pcoord`) to use. + - `composite`: composite RMSD (recommended) + - `prmsd`: pocket heavy atoms RMSD (not officially supported) + - `bb`: backbone RMSD (not officially supported) + - `jd`: Jaccard distance (not officially supported) + - the auxiliary data (`auxdata`) to calculate and save. + - `composite`: composite RMSD + - `prmsd`: pocket heavy atoms RMSD* + - `pvol`: pocket volume (requires `jd` too) + - `bb`: backbone RMSD + - `rog`: radius of gyration of the pocket (requires `jd` too) + - `jd`: Jaccard distance + - make sure that the WESTPA progress coordinate and auxdata match the SubPEx ones (these sections are both found in the `west.cfg` file). - - The WESTPA progress coordinate is specified at `west -> data -> + - The WESTPA progress coordinate is specified at `west -> data -> datasets`, `subpex -> pcoord`, and in `adaptive_binning/adaptive.py` - - The WESTPA auxiliary data is at `west -> executable -> datasets` - - The SubPEx progress coordinate is at `subpex -> pcoord` - - The SubPEx auxiliary data is at `subpex -> auxdata` + - The WESTPA auxiliary data is at `west -> executable -> datasets` + - The SubPEx progress coordinate is at `subpex -> pcoord` + - The SubPEx auxiliary data is at `subpex -> auxdata` ___Define the pocket to sample___ -1. You must define the location of the binding pocket you wish to sample. Find +1. You must define the location of the binding pocket you wish to sample. Find the coordinates of the pocket center and radius using the extracted last frame. - - Visual inspection is often useful at this step. You might first create a + - Visual inspection is often useful at this step. You might first create a PDB file with a CA dummy atom. Load that together with the extracted last frame of the previous step into your preferred visualization software (ChimeraX, PyMol, VMD, etc.). Then manually move the dummy atom to the pocket center and measure its location. Similarly, use the dummy atom to determine the radius from that center required to encompass the pocket of interest. -2. Return to the `west.cfg` file and edit the following parameters: - - `center`: the pocket center - - `radius`: the pocket radius - - `resolution`: the distance between adjacent pocket-filling grid points +2. Return to the `west.cfg` file and edit the following parameters: +- `center`: the pocket center +- `radius`: the pocket radius +- `resolution`: the distance between adjacent pocket-filling grid points (especially important if using the `jd` progress coordinate) -3. Run `python westpa_scripts/get_reference_fop.py west.cfg`. This script will +3. Run `python westpa_scripts/get_reference_fop.py west.cfg`. This script will generate the files specified by the `selection_file` and `reference_fop` parameters in the `west.cfg` file. -4. Visually inspect the pocket field of points (fop) and/or the selection string +4. Visually inspect the pocket field of points (fop) and/or the selection string (MDAnalysis selection syntax). - - Ensure that the points in the fop (`reference_fop`) file entirely fill the +- Ensure that the points in the fop (`reference_fop`) file entirely fill the pocket of interest. - - Ensure that the residues (`selection_file`) truly line the pocket of +- Ensure that the residues (`selection_file`) truly line the pocket of interest. - - Note that the popular molecular visualization program VMD can load `xyz` +- Note that the popular molecular visualization program VMD can load `xyz` files and select residues. -5. After visual inspection, adjust the `west.cfg` file (`center`, `radius`, and +5. After visual inspection, adjust the `west.cfg` file (`center`, `radius`, and `resolution` parameters) and re-run the `westpa_scripts/get_reference_fop.py` script. Continue to recalculate the pocket as needed to fine-tune your pocket. ___Setup the progress coordinate calculations___ -1. Update the variables in the `adaptive_binning/adaptive.py` file to indicate +1. Update the variables in the `adaptive_binning/adaptive.py` file to indicate the number of walkers per bin, the bins' minimum and maximum values, etc. - - This file controls the adaptive binning scheme that SubPEx uses. - - A detailed description of each variable is given in the file itself. -2. Change `westpa_scripts/get_pcoord.sh`. - - This script runs when calculating initial progress coordinates for new + - This file controls the adaptive binning scheme that SubPEx uses. + - A detailed description of each variable is given in the file itself. +2. Change `westpa_scripts/get_pcoord.sh`. + - This script runs when calculating initial progress coordinates for new initial states (istates). - - A the beginning of the file, modify the line `export ENGINE="NAMD"` to + - A the beginning of the file, modify the line `export ENGINE="NAMD"` to match your MD engine (`NAMD` or `AMBER`, in capital letters). -3. Modify the `westpa_scripts/runseg.sh` file. - - This file runs each WESTPA/SubPEx walker (segment). It creates the needed +3. Modify the `westpa_scripts/runseg.sh` file. + - This file runs each WESTPA/SubPEx walker (segment). It creates the needed directory, runs the walker simulation, and calculates the progress coordinate. - - At the beginning of the file, modify the line `export ENGINE="NAMD"` to + - At the beginning of the file, modify the line `export ENGINE="NAMD"` to match your MD engine (`NAMD` or `AMBER`, in capital letters). ___Setup the environment___ -1. Revise the `env.sh` file. - - The file itself contains further instructions as comments. - - Among other things, be sure to set the environmental variables required to +1. Revise the `env.sh` file. +- The file itself contains further instructions as comments. +- Among other things, be sure to set the environmental variables required to run the NAMD or AMBER executables, as well as the appropriate WORKMANAGER. - - Setting the appropriate variables may be complicated if using a +- Setting the appropriate variables may be complicated if using a supercomputing center. You may need to consult with an IT administrator. -2. Modify the appropriate MD configuration file in `./reference/` directory +2. Modify the appropriate MD configuration file in `./reference/` directory (`./reference/amber.prod_npt.in` if using AMBER, `./reference/namd.md.conf` if using NAMD). - - Make sure the number of frames saved per simulation equals `pcoordlength` +- Make sure the number of frames saved per simulation equals `pcoordlength` minus one (`pcoordlength` is defined in the `adaptive_binning/adaptive.py` file). For example: - - If using AMBER, modify `./reference/amber.prod_npt.in` to make sure + - If using AMBER, modify `./reference/amber.prod_npt.in` to make sure `nstlim` / `ntwx` = `pcoordlength` - 1. - - If using NAMD, modify `./reference/namd.md.conf` to make sure `run` / + - If using NAMD, modify `./reference/namd.md.conf` to make sure `run` / `dcdfreq` = `pcoordlength` - 1. -3. Activate the WESTPA conda environment and source the init.sh file. -4. Execute the `. init.sh` file. Note that this will delete any data from +3. Activate the WESTPA conda environment and source the init.sh file. +4. Execute the `. init.sh` file. Note that this will delete any data from previous SubPEx runs. ```bash @@ -223,13 +251,13 @@ conda activate westpa ___Running SubPEx___ -1. To run SubPEx, execute the `./run.sh` file from the command line. - - You can also run SubPEx on a supercomputing cluster. See the +1. To run SubPEx, execute the `./run.sh` file from the command line. +- You can also run SubPEx on a supercomputing cluster. See the `./aux_scripts/run.slurm.sh` for an example submission script for the slurm job scheduler. Note that you will likely need to modify the submission script for your specific cluster. Please check with your IT administrator to troubleshoot any cluster-specific problems. -2. If errors occur during execution, check the `./job_logs` directory. (If there +2. If errors occur during execution, check the `./job_logs` directory. (If there is no `./job_logs` directory, that alone will cause WESTPA/SubPEx to fail.) __Notes__: WESTPA simulations are not easy to set up. You are likely to @@ -238,22 +266,22 @@ the output in the `job_logs` directory. ## Important scripts and files and what they do -- __env.sh__ sets up some environmental variables. -- __init.sh__ initializes the run. Creates the basis and initial states and +- __env.sh__ sets up some environmental variables. +- __init.sh__ initializes the run. Creates the basis and initial states and calculates progress coordinates for those, using the `bstate.py` script. -- __gen_istate.sh__ makes `istates` directory. -- __get_pcoord.sh__ copies and links necessary files. Then calls on `bstate.py` +- __gen_istate.sh__ makes `istates` directory. +- __get_pcoord.sh__ copies and links necessary files. Then calls on `bstate.py` script. This script gets called by `init.sh`. -- __run.sh__ starts the run. -- __runseg.sh__ WESTPA runs this script for each trajectory segment. The script +- __run.sh__ starts the run. +- __runseg.sh__ WESTPA runs this script for each trajectory segment. The script has three jobs: - 1. Link the necessary files for MD simulations - 2. Run the MD simulation - 3. Calculate the progress coordinate using the `pcoord.py` script. -- __west.cfg__ the file containing the run's configuration. -- __west.h5__ contains all the results of the WE run. -- __get_reference_fop.py__ calculates the initial field of points for JD + 1. Link the necessary files for MD simulations + 2. Run the MD simulation + 3. Calculate the progress coordinate using the `pcoord.py` script. +- __west.cfg__ the file containing the run's configuration. +- __west.h5__ contains all the results of the WE run. +- __get_reference_fop.py__ calculates the initial field of points for JD progress coordinate and creates a selection string for MDAnalysis. -- __pcoord_istate.py__ calculates the progress coordinate for the initial +- __pcoord_istate.py__ calculates the progress coordinate for the initial states. -- __pcoord.py__ calculates the progress coordinate for the production run. +- __pcoord.py__ calculates the progress coordinate for the production run. diff --git a/adaptive_binning/adaptive.py b/adaptive_binning/adaptive.py deleted file mode 100644 index 08c5538..0000000 --- a/adaptive_binning/adaptive.py +++ /dev/null @@ -1,165 +0,0 @@ -from __future__ import print_function, division -import numpy -from west.propagators import WESTPropagator -from west.systems import WESTSystem -from westpa.binning import RectilinearBinMapper -from westpa.binning import FuncBinMapper -from westpa.binning import RecursiveBinMapper -import logging - -log = logging.getLogger('westpa.rc') -PI = numpy.pi -from numpy import * -pcoord_dtype = numpy.float32 - -# THESE ARE THE PARAMETERS YOU CAN CHANGE -bintargetcount = 3 # Number of walkers per bin -binsperdim = [15] # You will have prod(binsperdim) + numberofdim * - # (2 + 2 * splitIsolated) + activetarget bins - # total. Note that if you use the default - # values of numberofdim (1), splitIsolated (1), - # and activetarget (0), then the total number - # of bins equals the value of binsperdim[0]. -mincap = [-inf] # For each dimension enter the minimum number at - # which binning can occur, if you do not wish - # to have a cap use -inf -maxcap = [5] # For each dimension enter the maximum number at - # which binning can occur, if you do not wish - # to have a cap use inf. If using the - # Jaccard-distance progress coordinate, this - # max should be [1.0]. If using one of the - # RMSD metrics, it is the maximum allowed RMSD - # deviation from the initial pocket. - -# IT'S FAIRLY UNLINKLY YOU'LL NEED TO MODIFY THE PARAMETERS BELOW -numberofdim = 1 # Number of dimensions. (Most SubPEx progress - # coordinates are one dimensional.) -pcoordlength = 3 # Length of the pcoord. (This is the number of - # measurements taken per walker plus one, - # where the "plus one" corresponds to the last - # frame of the previous, parent walker.) - -# IT'S VERY UNLIKELY YOU'LL NEED TO MODIFY THE PARAMETERS BELOW -targetstate = [2.6] # Enter boundaries for target state or None if - # there is no target state in that dimension. - # (SubPEx does not require target states, so - # ignore this parameter.) -targetstatedirection = [-1] # If your target state is meant to be greater that - # the starting pcoor use 1 or else use -1. This - # will be done for each dimension in your - # simulation. (SubPEx does not require target - # states, so ignore this parameter.) -activetarget = 0 # If there is no target state make this zero. - # (SubPEx does not require target states, so - # ignore this parameter.) -splitIsolated = 1 # Choose 0 to disable the use of bottleneck - # walkers (not recomended) -######### - -def function_map(coords, mask, output): - splittingrelevant=True #This is to make sure splitting is relevant (not relevant for binner after recycling for example) - originalcoords=copy(coords) #It is a good idea to keep an original array - maxlist=[] #Preparing array to contain maximum pcoords in each dimension - minlist=[] #Preparing array to contain minimum pcoords in each dimension - difflist=[] #Preparing array to contain "bottleneck" values in positive direction for each dimensio #Preparing array to contain "bottleneck" values in negative direction for each dimensionn - flipdifflist=[] #Preparing array to contain "bottleneck" values in negative direction for each dimension - - for n in range(numberofdim): #going through each dimension - try: - # because binning should be handled different for recycled - # trajectories we load in a binbounds.txt created after an iteration - # completes - extremabounds=loadtxt('binbounds.txt') - currentmax=amax(extremabounds[:,n]) - currentmin=amin(extremabounds[:,n]) - except: - # during initialization this may not exitst so use current coords - # for extrema - currentmax=amax(coords[:,n]) - currentmin=amin(coords[:,n]) - - if maxcap[n]currentmin: #Checking the mincap in each dimension - currentmin=mincap[n] - maxlist.append(currentmax) #Need arrays for our extrema since there may be multiple depending on number of dimension - minlist.append(currentmin) - - try: #Recycled trajectories should not be tagged and will throw exception to be handled by except statement - temp=column_stack((coords[:,n],coords[:,numberofdim])) #Create an array containing progress coordinates of one dimension and associated probailities - temp=temp[temp[:,0].argsort()] #Sort this by progress coordinate - for p in range(len(temp)): #This just deals with the fact that currently received probailities are in float32 (it is probably best to disregard probailities smaller than E-39 anyway for tagging - if temp[p][1]==0: - temp[p][1]=10**-39 - - fliptemp=flipud(temp) #Recived sorted array in opposite direction - difflist.append(0) #Provide starting minimum of 0 (in very unlikely case of pcoord 0 and no tagged this could cause arbitrary tag (very minor impact), work to fix) - flipdifflist.append(0) - maxdiff=0 - flipmaxdiff=0 - - for i in range(1,len(temp)-1): #calculating of the "bottleneck" values, we need to sum all of the probability past a potential "bottleneck" - comprob=0 - flipcomprob=0 - j=i+1 - while jmincap[n]: - if (-log(comprob)+log(temp[i][1]))>maxdiff: #we want to find the point where the difference between the walker and the cumulative probability past it is at a maximum, we use logarithms to compare differences - difflist[n]=temp[i][0] - maxdiff=-log(comprob)+log(temp[i][1]) - - if fliptemp[i][0]mincap[n]: - if (-log(flipcomprob)+log(fliptemp[i][1]))>flipmaxdiff: - flipdifflist[n]=fliptemp[i][0] - flipmaxdiff=-log(flipcomprob)+log(fliptemp[i][1]) - - except: - splittingrelevant=False #if an error is thrown tagging of bottleneck walkers is not needed - - for i in range(len(output)): # this section deals with proper assignment of walkers to bins - binnumber=2*numberofdim # essentially the bin number - for n in range(numberofdim): - if (activetarget==1) and targetstate[n] is not None: - if (originalcoords[i,n]*targetstatedirection[n]) >= (targetstate[n]*targetstatedirection[n]): #if the target state has been reached assign to following bin - binnumber=prod(binsperdim)+numberofdim*2 - if (binnumber==prod(binsperdim)+numberofdim*2): #this ends the loop if binned in target state, n= numberofdim should not go in above line because of elif statements - n=numberofdim - - elif coords[i,n]>=maxlist[n] or originalcoords[i,n]>=maxcap[n]: #assign maxima or those over max cap to own bin - binnumber= 2*n - n=numberofdim - - elif coords[i,n]<=minlist[n] or originalcoords[i,n]<=mincap[n]: #assign minima or those under minima to own bin - binnumber =2*n+1 - n=numberofdim - - elif splittingrelevant and coords[i,n]==difflist[n] and splitIsolated==1: #assign bottleneck walker in one direction to bin - binnumber=prod(binsperdim)+numberofdim*2+2*n+activetarget - n=numberofdim - - elif splittingrelevant and coords[i,n]==flipdifflist[n] and splitIsolated==1: #assign bottleneck walker in other direction to bin - binnumber=prod(binsperdim)+numberofdim*2+2*n+activetarget+1 - n=numberofdim - - if binnumber==2*numberofdim: #calculate binning for evenly spaced bins - for j in range(numberofdim): - binnumber = binnumber + (digitize(coords[i][j],linspace(minlist[j],maxlist[j],binsperdim[j]+1))-1)*prod(binsperdim[0:j]) - - output[i]=binnumber - - return output - - -class System(WESTSystem): #class initialization - def initialize(self): - self.pcoord_ndim = numberofdim - self.pcoord_len = pcoordlength - self.pcoord_dtype = numpy.float32 - self.bin_mapper = FuncBinMapper(function_map, prod(binsperdim)+numberofdim*(2+2*splitIsolated)+activetarget) #Changed binsperbin to binsperdim - self.bin_target_counts = numpy.empty((self.bin_mapper.nbins,), numpy.int_) - self.bin_target_counts[...] = bintargetcount diff --git a/adaptive_binning/driver.py b/adaptive_binning/driver.py deleted file mode 100644 index b4c98ed..0000000 --- a/adaptive_binning/driver.py +++ /dev/null @@ -1,720 +0,0 @@ -import logging -log = logging.getLogger(__name__) -import numpy -import operator -from math import ceil -import random - - -import westpa -from west import Segment - -class ConsistencyError(RuntimeError): - pass - -class AccuracyError(RuntimeError): - pass - -class NewWeightEntry: - NW_SOURCE_RECYCLED = 0 - - def __init__(self, source_type, weight, prev_seg_id=None, - prev_init_pcoord=None, prev_final_pcoord=None, new_init_pcoord=None, - target_state_id = None, initial_state_id = None): - self.source_type = source_type - self.weight = weight - self.prev_seg_id = prev_seg_id - self.prev_init_pcoord = numpy.asarray(prev_init_pcoord) if prev_init_pcoord is not None else None - self.prev_final_pcoord = numpy.asarray(prev_final_pcoord) if prev_final_pcoord is not None else None - self.new_init_pcoord = numpy.asarray(new_init_pcoord) if new_init_pcoord is not None else None - self.target_state_id = target_state_id - self.initial_state_id = initial_state_id - - def __repr__(self): - return ('<{} object at 0x{:x}: weight={self.weight:g} target_state_id={self.target_state_id} prev_final_pcoord={self.prev_final_pcoord}>' - .format(self.__class__.__name__, id(self), self=self)) - -class WEDriver: - '''A class implemented Huber & Kim's weighted ensemble algorithm over Segment objects. - This class handles all binning, recycling, and preparation of new Segment objects for the - next iteration. Binning is accomplished using system.bin_mapper, and per-bin target counts - are from system.bin_target_counts. - - The workflow is as follows: - - 1) Call `new_iteration()` every new iteration, providing any recycling targets that are - in force and any available initial states for recycling. - 2) Call `assign()` to assign segments to bins based on their initial and end points. This - returns the number of walkers that were recycled. - 3) Call `run_we()`, optionally providing a set of initial states that will be used to - recycle walkers. - - Note the presence of flux_matrix, transition_matrix, - current_iter_segments, next_iter_segments, recycling_segments, - initial_binning, final_binning, next_iter_binning, and new_weights (to be documented soon). - ''' - - weight_split_threshold = 2.0 - weight_merge_cutoff = 1.0 - - def __init__(self, rc=None, system=None): - self.rc = rc or westpa.rc - self.system = system or self.rc.get_system_driver() - - # Whether to adjust counts to exactly match target count - self.do_adjust_counts = True - - # bin mapper and per-bin target counts (see new_iteration for initialization) - self.bin_mapper = None - self.bin_target_counts = None - - # Mapping of bin index to target state - self.target_states = None - - # binning on initial points - self.initial_binning = None - - # binning on final points (pre-WE) - self.final_binning = None - - # binning on initial points for next iteration - self.next_iter_binning = None - - # Flux and rate matrices for the current iteration - self.flux_matrix = None - self.transition_matrix = None - - # Information on new weights (e.g. from recycling) for the next iteration - self.new_weights = None - - # Set of initial states passed to run_we() that are actually used for - # recycling targets - self.used_initial_states = None - - self.avail_initial_states = None - - self.process_config() - - def process_config(self): - config = self.rc.config - - config.require_type_if_present(['west', 'we', 'adjust_counts'], bool) - - self.do_adjust_counts = config.get(['west', 'we', 'adjust_counts'], True) - log.info('Adjust counts to exactly match target_counts: {}'.format(self.do_adjust_counts)) - - self.weight_split_threshold = config.get(['west', 'we', 'weight_split_threshold'], self.weight_split_threshold) - log.info('Split threshold: {}'.format(self.weight_split_threshold)) - - self.weight_merge_cutoff = config.get(['west', 'we', 'weight_merge_cutoff'], self.weight_merge_cutoff) - log.info('Merge cutoff: {}'.format(self.weight_merge_cutoff)) - - - @property - def next_iter_segments(self): - '''Newly-created segments for the next iteration''' - if self.next_iter_binning is None: - raise RuntimeError('cannot access next iteration segments before running WE') - - for _bin in self.next_iter_binning: - for walker in _bin: - yield walker - - @property - def current_iter_segments(self): - '''Segments for the current iteration''' - for _bin in self.final_binning: - for walker in _bin: - yield walker - - @property - def next_iter_assignments(self): - '''Bin assignments (indices) for initial points of next iteration.''' - if self.next_iter_binning is None: - raise RuntimeError('cannot access next iteration segments before running WE') - - for ibin, _bin in enumerate(self.next_iter_binning): - for _walker in _bin: - yield ibin - - @property - def current_iter_assignments(self): - '''Bin assignments (indices) for endpoints of current iteration.''' - for ibin,_bin in enumerate(self.final_binning): - for walker in _bin: - yield ibin - - @property - def recycling_segments(self): - '''Segments designated for recycling''' - if len(self.target_states): - for (ibin,tstate) in self.target_states.items(): - for segment in self.final_binning[ibin]: - yield segment - else: - return - - @property - def n_recycled_segs(self): - '''Number of segments recycled this iteration''' - count = 0 - for _segment in self.recycling_segments: - count += 1 - return count - - @property - def n_istates_needed(self): - '''Number of initial states needed to support recycling for this iteration''' - n_istates_avail = len(self.avail_initial_states) - return max(0, self.n_recycled_segs - n_istates_avail) - - def clear(self): - '''Explicitly delete all Segment-related state.''' - - del self.initial_binning, self.final_binning, self.next_iter_binning - del self.flux_matrix, self.transition_matrix - del self.new_weights, self.used_initial_states, self.avail_initial_states - - self.initial_binning = None - self.final_binning = None - self.next_iter_binning = None - self.flux_matrix = None - self.transition_matrix = None - self.avail_initial_states = None - self.used_initial_states = None - self.new_weights = None - - def new_iteration(self, initial_states=None, target_states=None, new_weights=None, bin_mapper=None, bin_target_counts=None): - '''Prepare for a new iteration. ``initial_states`` is a sequence of all InitialState objects valid - for use in to generating new segments for the *next* iteration (after the one being begun with the call to - new_iteration); that is, these are states available to recycle to. Target states which generate recycling events - are specified in ``target_states``, a sequence of TargetState objects. Both ``initial_states`` - and ``target_states`` may be empty as required. - - The optional ``new_weights`` is a sequence of NewWeightEntry objects which will - be used to construct the initial flux matrix. - - The given ``bin_mapper`` will be used for assignment, and ``bin_target_counts`` used for splitting/merging - target counts; each will be obtained from the system object if omitted or None. - ''' - - self.clear() - - new_weights = new_weights or [] - if initial_states is None: - initial_states = initial_states or [] - - # update mapper, in case it has changed on the system driver and has not been overridden - if bin_mapper is not None: - self.bin_mapper = bin_mapper - else: - self.bin_mapper = self.system.bin_mapper - - if bin_target_counts is not None: - self.bin_target_counts = bin_target_counts - else: - self.bin_target_counts = numpy.array(self.system.bin_target_counts).copy() - nbins = self.bin_mapper.nbins - log.debug('mapper is {!r}, handling {:d} bins'.format(self.bin_mapper, nbins)) - - self.initial_binning = self.bin_mapper.construct_bins() - self.final_binning = self.bin_mapper.construct_bins() - self.next_iter_binning = None - - flux_matrix = self.flux_matrix = numpy.zeros((nbins,nbins), dtype=numpy.float64) - transition_matrix = self.transition_matrix = numpy.zeros((nbins,nbins), numpy.uint) - - # map target state specifications to bins - target_states = target_states or [] - self.target_states = {} - for tstate in target_states: - tstate_assignment = self.bin_mapper.assign([tstate.pcoord])[0] - self.target_states[tstate_assignment] = tstate - log.debug('target state {!r} mapped to bin {}'.format(tstate, tstate_assignment)) - self.bin_target_counts[tstate_assignment] = 0 - - # loop over recycled segments, adding entries to the flux matrix appropriately - if new_weights: - init_pcoords = numpy.empty((len(new_weights), self.system.pcoord_ndim), dtype=self.system.pcoord_dtype) - prev_init_pcoords = numpy.empty((len(new_weights), self.system.pcoord_ndim), dtype=self.system.pcoord_dtype) - - for (ientry,entry) in enumerate(new_weights): - init_pcoords[ientry] = entry.new_init_pcoord - prev_init_pcoords[ientry] = entry.prev_init_pcoord - - init_assignments = self.bin_mapper.assign(init_pcoords) - prev_init_assignments = self.bin_mapper.assign(prev_init_pcoords) - - for (entry, i, j) in zip(new_weights, prev_init_assignments, init_assignments): - flux_matrix[i,j] += entry.weight - transition_matrix[i,j] += 1 - - del init_pcoords, prev_init_pcoords, init_assignments, prev_init_assignments - - self.avail_initial_states = {state.state_id: state for state in initial_states} - self.used_initial_states = {} - - def add_initial_states(self, initial_states): - '''Add newly-prepared initial states to the pool available for recycling.''' - for state in initial_states: - self.avail_initial_states[state.state_id] = state - - @property - def all_initial_states(self): - '''Return an iterator over all initial states (available or used)''' - for state in self.avail_initial_states.values(): - yield state - for state in self.used_initial_states.values(): - yield state - - def assign(self, segments, initializing=False, endprop=False, recycling=False): - '''Assign segments to initial and final bins, and update the (internal) lists of used and available - initial states. If ``initializing`` is True, then the "final" bin assignments will - be identical to the initial bin assignments, a condition required for seeding a new iteration from - pre-existing segments.''' - - # collect initial and final coordinates into one place - all_pcoords = numpy.empty((2,len(segments), self.system.pcoord_ndim+1), dtype=self.system.pcoord_dtype) - if recycling: - for iseg, segment in enumerate(segments): - all_pcoords[0,iseg] = numpy.append(segment.pcoord[0,:],-1) - all_pcoords[1,iseg] = numpy.append(segment.pcoord[-1,:],-1) - else: - for iseg, segment in enumerate(segments): - all_pcoords[0,iseg] = numpy.append(segment.pcoord[0,:],segment.weight) - all_pcoords[1,iseg] = numpy.append(segment.pcoord[-1,:],segment.weight) - if endprop: - numpy.savetxt('binbounds.txt',all_pcoords[1,:,:]) - # assign based on initial and final progress coordinates - initial_assignments = self.bin_mapper.assign(all_pcoords[0,:,:]) - if initializing: - final_assignments = initial_assignments - else: - final_assignments = self.bin_mapper.assign(all_pcoords[1,:,:]) - initial_binning = self.initial_binning - final_binning = self.final_binning - flux_matrix = self.flux_matrix - transition_matrix = self.transition_matrix - for (segment,iidx,fidx) in zip(segments, initial_assignments, final_assignments): - initial_binning[iidx].add(segment) - final_binning[fidx].add(segment) - flux_matrix[iidx,fidx] += segment.weight - transition_matrix[iidx,fidx] += 1 - - n_recycled_total = self.n_recycled_segs - n_new_states = n_recycled_total - len(self.avail_initial_states) - - log.debug('{} walkers scheduled for recycling, {} initial states available'.format(n_recycled_total, - len(self.avail_initial_states))) - - if n_new_states > 0: - return n_new_states - else: - return 0 - - def _recycle_walkers(self): - '''Recycle walkers''' - - # recall that every walker we deal with is already a new segment in the subsequent iteration, - # so to recycle, we actually move the appropriate Segment from the target bin to the initial state bin - - self.new_weights = [] - - n_recycled_walkers = len(list(self.recycling_segments)) - if not n_recycled_walkers: - return - elif n_recycled_walkers > len(self.avail_initial_states): - raise ConsistencyError('need {} initial states for recycling, but only {} present' - .format(n_recycled_walkers,len(self.avail_initial_states))) - - used_istate_ids = set() - istateiter = iter(self.avail_initial_states.values()) - for (ibin,target_state) in self.target_states.items(): - target_bin = self.next_iter_binning[ibin] - for segment in set(target_bin): - initial_state = next(istateiter) - istate_assignment = self.bin_mapper.assign([initial_state.pcoord])[0] - parent = self._parent_map[segment.parent_id] - parent.endpoint_type = Segment.SEG_ENDPOINT_RECYCLED - - if log.isEnabledFor(logging.DEBUG): - log.debug('recycling {!r} from target state {!r} to initial state {!r}'.format(segment, target_state, - initial_state)) - log.debug('parent is {!r}'.format(parent)) - - - segment.parent_id = -(initial_state.state_id+1) - segment.pcoord[0] = initial_state.pcoord - - self.new_weights.append(NewWeightEntry(source_type=NewWeightEntry.NW_SOURCE_RECYCLED, - weight=parent.weight, prev_seg_id=parent.seg_id, - # the .copy() is crucial, otherwise the slice of pcoords will - # keep the parent segments' pcoord data alive unnecessarily long - prev_init_pcoord=parent.pcoord[0].copy(), - prev_final_pcoord=parent.pcoord[-1].copy(), - new_init_pcoord=initial_state.pcoord.copy(), - target_state_id=target_state.state_id, - initial_state_id=initial_state.state_id) ) - - if log.isEnabledFor(logging.DEBUG): - log.debug('new weight entry is {!r}'.format(self.new_weights[-1])) - - self.next_iter_binning[istate_assignment].add(segment) - - initial_state.iter_used = segment.n_iter - log.debug('marking initial state {!r} as used'.format(initial_state)) - used_istate_ids.add(initial_state.state_id) - target_bin.remove(segment) - - assert len(target_bin) == 0 - - # Transfer newly-assigned states from "available" to "used" - for state_id in used_istate_ids: - self.used_initial_states[state_id] = self.avail_initial_states.pop(state_id) - - - def _split_walker(self, segment, m, bin): - '''Split the walker ``segment`` (in ``bin``) into ``m`` walkers''' - - bin.remove(segment) - - new_segments = [] - for _inew in range(0,m): - new_segment = Segment(n_iter = segment.n_iter, #previously incremented - weight = segment.weight/m, - parent_id = segment.parent_id, - wtg_parent_ids = set(segment.wtg_parent_ids), - pcoord = segment.pcoord.copy(), - status = Segment.SEG_STATUS_PREPARED) - new_segment.pcoord[0,:] = segment.pcoord[0,:] - new_segments.append(new_segment) - - bin.update(new_segments) - - if log.isEnabledFor(logging.DEBUG): - log.debug('splitting {!r} into {:d}:\n {!r}'.format(segment, m, new_segments)) - - return new_segments - - def _merge_walkers(self, segments, cumul_weight, bin): - '''Merge the given ``segments`` in ``bin``, previously sorted by weight, into one conglomerate segment. - ``cumul_weight`` is the cumulative sum of the weights of the ``segments``; this may be None to calculate here.''' - - if cumul_weight is None: - cumul_weight = numpy.add.accumulate([segment.weight for segment in segments]) - - glom = Segment(n_iter = segments[0].n_iter, # assumed correct (and equal among all segments) - weight = cumul_weight[len(segments)-1], - status = Segment.SEG_STATUS_PREPARED, - pcoord = self.system.new_pcoord_array(), - ) - - # Select the history to use - # The following takes a random number in the interval 0 <= x < glom.weight, then - # sees where this value falls among the (sorted) weights of the segments being merged; - # this ensures that a walker with (e.g.) twice the weight of its brethren has twice the - # probability of having its history selected for continuation - iparent = numpy.digitize((random.uniform(0,glom.weight),),cumul_weight)[0] - gparent_seg = segments[iparent] - - # Inherit history from this segment ("gparent" stands for "glom parent", as opposed to historical - # parent). - glom.parent_id = gparent_seg.parent_id - glom.pcoord[0,:] = gparent_seg.pcoord[0,:] - - # Weight comes from all segments being merged, and therefore all their - # parent segments - glom.wtg_parent_ids = set() - for segment in segments: - glom.wtg_parent_ids |= segment.wtg_parent_ids - - # Remove merged walkers from consideration before treating initial states - bin.difference_update(segments) - - # The historical parent of gparent is continued; all others are marked as merged - for segment in segments: - if segment is gparent_seg: - # we must ignore initial states here... - if segment.parent_id >= 0: - self._parent_map[segment.parent_id].endpoint_type = Segment.SEG_ENDPOINT_CONTINUES - else: - # and "unuse" an initial state here (recall that initial states are in 1:1 correspondence - # with the segments they initiate), except when a previously-split particle is being - # merged - if segment.parent_id >= 0: - self._parent_map[segment.parent_id].endpoint_type = Segment.SEG_ENDPOINT_MERGED - else: - if segment.initial_state_id in {segment.initial_state_id for segment in bin}: - log.debug('initial state in use by other walker; not removing') - else: - initial_state = self.used_initial_states.pop(segment.initial_state_id) - log.debug('freeing initial state {!r} for future use (merged)'.format(initial_state)) - self.avail_initial_states[initial_state.state_id] = initial_state - initial_state.iter_used = None - - if log.isEnabledFor(logging.DEBUG): - log.debug('merging ({:d}) {!r} into 1:\n {!r}'.format(len(segments), segments, glom)) - - - bin.add(glom) - - def _split_by_weight(self, ibin): - '''Split overweight particles''' - - bin = self.next_iter_binning[ibin] - target_count = self.bin_target_counts[ibin] - segments = numpy.array(sorted(bin, key=operator.attrgetter('weight')), dtype=numpy.object_) - weights = numpy.array(list(map(operator.attrgetter('weight'), segments))) - ideal_weight = weights.sum() / target_count - - if len(bin) > 0: - assert target_count > 0 - - to_split = segments[weights > self.weight_split_threshold*ideal_weight] - - for segment in to_split: - m = int(ceil(segment.weight / ideal_weight)) - self._split_walker(segment, m, bin) - - - def _merge_by_weight(self, ibin): - '''Merge underweight particles''' - - bin = self.next_iter_binning[ibin] - target_count = self.bin_target_counts[ibin] - weight = sum(map(operator.attrgetter('weight'), bin)) - target_count = self.bin_target_counts[ibin] - ideal_weight = weight / target_count - - while True: - segments = numpy.array(sorted(bin, key=operator.attrgetter('weight')), dtype=numpy.object_) - weights = numpy.array(list(map(operator.attrgetter('weight'), segments))) - cumul_weight = numpy.add.accumulate(weights) - - to_merge = segments[cumul_weight <= ideal_weight*self.weight_merge_cutoff] - if len(to_merge) < 2: - return - - self._merge_walkers(to_merge, cumul_weight, bin) - - def _adjust_count(self, ibin): - bin = self.next_iter_binning[ibin] - target_count = self.bin_target_counts[ibin] - weight_getter = operator.attrgetter('weight') - - # split - while len(bin) < target_count: - log.debug('adjusting counts by splitting') - # always split the highest probability walker into two - segments = sorted(bin, key=weight_getter) - self._split_walker(segments[-1], 2, bin) - - # merge - while len(bin) > target_count: - log.debug('adjusting counts by merging') - # always merge the two lowest-probability walkers - segments = sorted(bin, key=weight_getter) - self._merge_walkers(segments[:2], cumul_weight=None, bin=bin) - - def _check_pre(self): - for ibin, _bin in enumerate(self.next_iter_binning): - if self.bin_target_counts[ibin] == 0 and len(_bin) > 0: - raise ConsistencyError('bin {:d} has target count of 0 but contains {:d} walkers'.format(ibin, len(_bin))) - - def _check_post(self): - for segment in self.next_iter_segments: - if segment.weight == 0: - raise ConsistencyError('segment {!r} has weight of zero') - - def _prep_we(self): - '''Prepare internal state for WE recycle/split/merge.''' - self._parent_map = {} - self.next_iter_binning = self.bin_mapper.construct_bins() - - def _run_we(self): - '''Run recycle/split/merge. Do not call this function directly; instead, use - populate_initial(), rebin_current(), or construct_next().''' - self._recycle_walkers() - - # sanity check - self._check_pre() - - # Regardless of current particle count, always split overweight particles and merge underweight particles - # Then and only then adjust for correct particle count - for (ibin,bin) in enumerate(self.next_iter_binning): - if len(bin) == 0: - continue - - self._split_by_weight(ibin) - self._merge_by_weight(ibin) - if self.do_adjust_counts: - self._adjust_count(ibin) - - self._check_post() - - self.new_weights = self.new_weights or [] - - log.debug('used initial states: {!r}'.format(self.used_initial_states)) - log.debug('available initial states: {!r}'.format(self.avail_initial_states)) - - - def populate_initial(self, initial_states, weights, system=None): - '''Create walkers for a new weighted ensemble simulation. - - One segment is created for each provided initial state, then binned and split/merged - as necessary. After this function is called, next_iter_segments will yield the new - segments to create, used_initial_states will contain data about which of the - provided initial states were used, and avail_initial_states will contain data about - which initial states were unused (because their corresponding walkers were merged - out of existence). - ''' - - # This has to be down here to avoid an import race - from west.data_manager import weight_dtype - EPS = numpy.finfo(weight_dtype).eps - - system = system or westpa.rc.get_system_driver() - self.new_iteration(initial_states=[], target_states=[], - bin_mapper=system.bin_mapper, bin_target_counts=system.bin_target_counts) - - # Create dummy segments - segments = [] - for (seg_id, (initial_state,weight)) in enumerate(zip(initial_states,weights)): - dummy_segment = Segment(n_iter=0, - seg_id=seg_id, - parent_id=-(initial_state.state_id+1), - weight=weight, - wtg_parent_ids=set([-(initial_state.state_id+1)]), - pcoord=system.new_pcoord_array(), - status=Segment.SEG_STATUS_PREPARED) - dummy_segment.pcoord[[0,-1]] = initial_state.pcoord - segments.append(dummy_segment) - - # Adjust weights, if necessary - tprob = sum(weights) - if abs(1.0 - tprob) > len(weights) * EPS: - pscale = 1.0/tprob - log.warning('Weights of initial segments do not sum to unity; scaling by {:g}'.format(pscale)) - for segment in segments: - segment.weight *= pscale - - self.assign(segments, initializing=True) - self.construct_next() - - # We now have properly-constructed initial segments, except for parent information, - # and we need to mark initial states as used or unused - istates_by_id = {state.state_id: state for state in initial_states} - dummysegs_by_id = self._parent_map - self.avail_initial_states = dict(istates_by_id) - self.used_initial_states = {} - for segment in self.next_iter_segments: - segment.parent_id = dummysegs_by_id[segment.parent_id].parent_id - segment.wtg_parent_ids=set([segment.parent_id]) - assert segment.initpoint_type == Segment.SEG_INITPOINT_NEWTRAJ - istate = istates_by_id[segment.initial_state_id] - try: - self.used_initial_states[istate.state_id] = self.avail_initial_states.pop(istate.state_id) - except KeyError: - # Shared by more than one segment, and already marked as used - pass - - for used_istate in self.used_initial_states.values(): - used_istate.iter_used = 1 - - def rebin_current(self, parent_segments): - '''Reconstruct walkers for the current iteration based on (presumably) new binning. - The previous iteration's segments must be provided (as ``parent_segments``) in order - to update endpoint types appropriately.''' - - self._prep_we() - self._parent_map = {segment.seg_id: segment for segment in parent_segments} - - # Create new segments for the next iteration - # We assume that everything is going to continue without being touched by recycling or WE, and - # adjust later - new_pcoord_array = self.system.new_pcoord_array - n_iter = None - - for ibin, _bin in enumerate(self.final_binning): - for segment in _bin: - if n_iter is None: - n_iter = segment.n_iter - else: - assert segment.n_iter == n_iter - - new_segment = Segment(n_iter=segment.n_iter, - parent_id=segment.parent_id, - weight=segment.weight, - wtg_parent_ids=set(segment.wtg_parent_ids or []), - pcoord=new_pcoord_array(), - status=Segment.SEG_STATUS_PREPARED) - new_segment.pcoord[0] = segment.pcoord[0] - self.next_iter_binning[ibin].add(new_segment) - - self._run_we() - - def construct_next(self): - '''Construct walkers for the next iteration, by running weighted ensemble recycling - and bin/split/merge on the segments previously assigned to bins using ``assign``. - Enough unused initial states must be present in ``self.avail_initial_states`` for every recycled - walker to be assigned an initial state. - - After this function completes, ``self.flux_matrix`` contains a valid flux matrix for this - iteration (including any contributions from recycling from the previous iteration), and - ``self.next_iter_segments`` contains a list of segments ready for the next iteration, - with appropriate values set for weight, endpoint type, parent walkers, and so on. - ''' - - self._prep_we() - - # Create new segments for the next iteration - # We assume that everything is going to continue without being touched by recycling or WE, and - # adjust later - new_pcoord_array = self.system.new_pcoord_array - n_iter = None - - for ibin, _bin in enumerate(self.final_binning): - for segment in _bin: - if n_iter is None: - n_iter = segment.n_iter - else: - assert segment.n_iter == n_iter - - segment.endpoint_type = Segment.SEG_ENDPOINT_CONTINUES - new_segment = Segment(n_iter=segment.n_iter+1, - parent_id=segment.seg_id, - weight=segment.weight, - wtg_parent_ids=[segment.seg_id], - pcoord=new_pcoord_array(), - status=Segment.SEG_STATUS_PREPARED) - new_segment.pcoord[0] = segment.pcoord[-1] - self.next_iter_binning[ibin].add(new_segment) - - # Store a link to the parent segment, so we can update its endpoint status as we need, - # based on its ID - self._parent_map[segment.seg_id] = segment - - self._run_we() - - log.debug('used initial states: {!r}'.format(self.used_initial_states)) - log.debug('available initial states: {!r}'.format(self.avail_initial_states)) - - def _log_bin_stats(self, bin, heading=None, level=logging.DEBUG): - if log.isEnabledFor(level): - weights = sorted(numpy.array(list(map(operator.attrgetter('weight'), bin)))) - bin_label = getattr(bin, 'label', None) or '' - log_fmt = '\n '.join(['', - 'stats for bin {bin_label!r} {heading}', - ' count: {bin.count:d}, target count: {bin.target_count:d}', - ' total weight: {bin.weight:{weight_spec}}, ideal weight: {ideal_weight:{weight_spec}}', - ' mean weight: {mean_weight:{weight_spec}}, stdev weight: {stdev_weight:{weight_spec}}', - ' min weight: {min_weight:{weight_spec}}, med weight : {median_weight:{weight_spec}}' - +', max weight: {max_weight:{weight_spec}}']) - log_msg = log_fmt.format(log_fmt, weight_spec='<12.6e', - bin_label=bin_label, heading=heading, bin=bin, - ideal_weight = bin.weight/bin.target_count, - mean_weight = weights.mean(), stdev_weight = weights.std(), - min_weight = weights[0], median_weight=numpy.median(weights), max_weight=weights[-1]) - log.log(level, log_msg) - - \ No newline at end of file diff --git a/adaptive_binning/manager.py b/adaptive_binning/manager.py deleted file mode 100644 index 127663f..0000000 --- a/adaptive_binning/manager.py +++ /dev/null @@ -1,698 +0,0 @@ -import time, operator, math, numpy, random -from itertools import zip_longest -from datetime import timedelta -import logging -log = logging.getLogger(__name__) - -import westpa -import west -from west.states import InitialState -from westpa import extloader -from west import Segment - -from west import wm_ops -from west.data_manager import weight_dtype - -from pickle import PickleError - -EPS = numpy.finfo(weight_dtype).eps - -def grouper(n, iterable, fillvalue=None): - "Collect data into fixed-length chunks or blocks" - # grouper(3, 'ABCDEFG', 'x') --> ABC DEF Gxx - args = [iter(iterable)] * n - return zip_longest(fillvalue=fillvalue, *args) - - -class PropagationError(RuntimeError): - pass - - -class WESimManager: - def process_config(self): - config = self.rc.config - for (entry, type_) in [('gen_istates', bool), - ('block_size', int), - ('save_transition_matrices', bool)]: - config.require_type_if_present(['west', 'propagation', entry], type_) - - self.do_gen_istates = config.get(['west', 'propagation', 'gen_istates'], False) - self.propagator_block_size = config.get(['west', 'propagation', 'block_size'], 1) - self.save_transition_matrices = config.get(['west', 'propagation', 'save_transition_matrices'], False) - self.max_run_walltime = config.get(['west', 'propagation', 'max_run_wallclock'], default=None) - self.max_total_iterations = config.get(['west', 'propagation', 'max_total_iterations'], default=None) - - - def __init__(self, rc=None): - self.rc = rc or westpa.rc - self.work_manager = self.rc.get_work_manager() - self.data_manager = self.rc.get_data_manager() - self.we_driver = self.rc.get_we_driver() - self.system = self.rc.get_system_driver() - - # A table of function -> list of (priority, name, callback) tuples - self._callback_table = {} - self._valid_callbacks = set((self.prepare_run, self.finalize_run, - self.prepare_iteration, self.finalize_iteration, - self.pre_propagation, self.post_propagation, - self.pre_we, self.post_we, self.prepare_new_iteration)) - self._callbacks_by_name = {fn.__name__: fn for fn in self._valid_callbacks} - self.n_propagated = 0 - - # config items - self.do_gen_istates = False - self.propagator_block_size = 1 - self.save_transition_matrices = False - self.max_run_walltime = None - self.max_total_iterations = None - self.process_config() - - # Per-iteration variables - self.n_iter = None # current iteration - - # Basis and initial states for this iteration, in case the propagator needs them - self.current_iter_bstates = None # BasisStates valid at this iteration - self.current_iter_istates = None # InitialStates used in this iteration - - # Basis states for next iteration - self.next_iter_bstates = None # BasisStates valid for the next iteration - self.next_iter_bstate_cprobs = None # Cumulative probabilities for basis states, used for selection - - # Initial states for next iteration - #self.next_iter_istates = None - #self.next_iter_avail_istates = None # InitialStates available for use next iteration - #self.next_iter_assigned_istates = None # InitialStates that were available or generated in this iteration but then used - - # Tracking of this iteration's segments - self.segments = None # Mapping of seg_id to segment for all segments in this iteration - self.completed_segments = None # Mapping of seg_id to segment for all completed segments in this iteration - self.incomplete_segments = None # Mapping of seg_id to segment for all incomplete segments in this iteration - - # Tracking of binning - self.bin_mapper_hash = None # Hash of bin mapper from most recently-run WE, for use by post-WE analysis plugins - - - def register_callback(self, hook, function, priority=0): - '''Registers a callback to execute during the given ``hook`` into the simulation loop. The optional - priority is used to order when the function is called relative to other registered callbacks.''' - - if hook not in self._valid_callbacks: - try: - hook = self._callbacks_by_name[hook] - except KeyError: - raise KeyError('invalid hook {!r}'.format(hook)) - - try: - self._callback_table[hook].add((priority,function.__name__,function)) - except KeyError: - self._callback_table[hook] = set([(priority,function.__name__,function)]) - - log.debug('registered callback {!r} for hook {!r}'.format(function, hook)) - - def invoke_callbacks(self, hook, *args, **kwargs): - callbacks = self._callback_table.get(hook, []) - sorted_callbacks = sorted(callbacks) - for (priority, name, fn) in sorted_callbacks: - log.debug('invoking callback {!r} for hook {!r}'.format(fn,hook)) - fn(*args, **kwargs) - - def load_plugins(self): - try: - plugins_config = westpa.rc.config['west', 'plugins'] - except KeyError: - return - - for plugin_config in (plugins_config or []): - plugin_name = plugin_config['plugin'] - if plugin_config.get('enabled', True): - log.info('loading plugin {!r}'.format(plugin_name)) - plugin = extloader.get_object(plugin_name)(self, plugin_config) - log.debug('loaded plugin {!r}'.format(plugin)) - - def report_bin_statistics(self, bins, save_summary=False): - segments = list(self.segments.values()) - bin_counts = numpy.fromiter(map(len,bins), dtype=numpy.int_, count=len(bins)) - target_counts = self.we_driver.bin_target_counts - - # Do not include bins with target count zero (e.g. sinks, never-filled bins) in the (non)empty bins statistics - n_active_bins = len(target_counts[target_counts!=0]) - seg_probs = numpy.fromiter(map(operator.attrgetter('weight'), segments), dtype=weight_dtype, count=len(segments)) - bin_probs = numpy.fromiter(map(operator.attrgetter('weight'), bins), dtype=weight_dtype, count=len(bins)) - norm = seg_probs.sum() - - assert abs(1 - norm) < EPS*(len(segments)+n_active_bins) - - min_seg_prob = seg_probs[seg_probs!=0].min() - max_seg_prob = seg_probs.max() - seg_drange = math.log(max_seg_prob/min_seg_prob) - min_bin_prob = bin_probs[bin_probs!=0].min() - max_bin_prob = bin_probs.max() - bin_drange = math.log(max_bin_prob/min_bin_prob) - n_pop = int(len(segments)/target_counts[0]) - - self.rc.pstatus('{:d} of {:d} ({:%}) active bins are populated'.format(n_pop, n_active_bins,n_pop/n_active_bins)) - self.rc.pstatus('per-bin minimum non-zero probability: {:g}'.format(min_bin_prob)) - self.rc.pstatus('per-bin maximum probability: {:g}'.format(max_bin_prob)) - self.rc.pstatus('per-bin probability dynamic range (kT): {:g}'.format(bin_drange)) - self.rc.pstatus('per-segment minimum non-zero probability: {:g}'.format(min_seg_prob)) - self.rc.pstatus('per-segment maximum non-zero probability: {:g}'.format(max_seg_prob)) - self.rc.pstatus('per-segment probability dynamic range (kT): {:g}'.format(seg_drange)) - self.rc.pstatus('norm = {:g}, error in norm = {:g} ({:.2g}*epsilon)'.format(norm,(norm-1),(norm-1)/EPS)) - self.rc.pflush() - - if save_summary: - iter_summary = self.data_manager.get_iter_summary() - iter_summary['n_particles'] = len(segments) - iter_summary['norm'] = norm - iter_summary['min_bin_prob'] = min_bin_prob - iter_summary['max_bin_prob'] = max_bin_prob - iter_summary['min_seg_prob'] = min_seg_prob - iter_summary['max_seg_prob'] = max_seg_prob - if numpy.isnan(iter_summary['cputime']): iter_summary['cputime'] = 0.0 - if numpy.isnan(iter_summary['walltime']): iter_summary['walltime'] = 0.0 - self.data_manager.update_iter_summary(iter_summary) - - def get_bstate_pcoords(self, basis_states): - '''For each of the given ``basis_states``, calculate progress coordinate values - as necessary. The HDF5 file is not updated.''' - - self.rc.pstatus('Calculating progress coordinate values for basis states.') - futures = [self.work_manager.submit(wm_ops.get_pcoord, args=(basis_state,)) - for basis_state in basis_states] - fmap = {future: i for (i, future) in enumerate(futures)} - for future in self.work_manager.as_completed(futures): - basis_states[fmap[future]].pcoord = future.get_result().pcoord - - def report_basis_states(self, basis_states): - pstatus = self.rc.pstatus - pstatus('{:d} basis state(s) present'.format(len(basis_states)), end='') - if self.rc.verbose_mode: - pstatus(':') - pstatus('{:6s} {:12s} {:20s} {:20s} {}' - .format('ID', 'Label', 'Probability', 'Aux Reference', 'Progress Coordinate')) - for basis_state in basis_states: - pstatus('{:<6d} {:12s} {:<20.14g} {:20s} {}'. - format(basis_state.state_id, basis_state.label, basis_state.probability, basis_state.auxref or '', - ', '.join(map(str,basis_state.pcoord)))) - pstatus() - self.rc.pflush() - - def report_target_states(self, target_states): - pstatus = self.rc.pstatus - pstatus('{:d} target state(s) present'.format(len(target_states)), end='') - if self.rc.verbose_mode and target_states: - pstatus(':') - pstatus('{:6s} {:12s} {}'.format('ID', 'Label', 'Progress Coordinate')) - for target_state in target_states: - pstatus('{:<6d} {:12s} {}' - .format(target_state.state_id, target_state.label, ','.join(map(str,target_state.pcoord)))) - pstatus() - self.rc.pflush() - - def initialize_simulation(self, basis_states, target_states, segs_per_state=1, suppress_we=False): - '''Initialize a new weighted ensemble simulation, taking ``segs_per_state`` initial - states from each of the given ``basis_states``. - - ``w_init`` is the forward-facing version of this function''' - - data_manager = self.data_manager - work_manager = self.work_manager - pstatus = self.rc.pstatus - system = self.system - - pstatus('Creating HDF5 file {!r}'.format(self.data_manager.we_h5filename)) - data_manager.prepare_backing() - - # Process target states - data_manager.save_target_states(target_states) - self.report_target_states(target_states) - - - # Process basis states - self.get_bstate_pcoords(basis_states) - self.data_manager.create_ibstate_group(basis_states) - self.report_basis_states(basis_states) - - pstatus('Preparing initial states') - initial_states = [] - weights = [] - if self.do_gen_istates: - istate_type = InitialState.ISTATE_TYPE_GENERATED - else: - istate_type = InitialState.ISTATE_TYPE_BASIS - - for basis_state in basis_states: - for _iseg in range(segs_per_state): - initial_state = data_manager.create_initial_states(1,1)[0] - initial_state.basis_state_id = basis_state.state_id - initial_state.basis_state = basis_state - initial_state.istate_type = istate_type - weights.append(basis_state.probability/segs_per_state) - initial_states.append(initial_state) - - if self.do_gen_istates: - futures = [work_manager.submit(wm_ops.gen_istate, args=(initial_state.basis_state, initial_state)) - for initial_state in initial_states] - for future in work_manager.as_completed(futures): - rbstate, ristate = future.get_result() - initial_states[ristate.state_id].pcoord = ristate.pcoord - else: - for initial_state in initial_states: - basis_state = initial_state.basis_state - initial_state.pcoord = basis_state.pcoord - initial_state.istate_status = InitialState.ISTATE_STATUS_PREPARED - - for initial_state in initial_states: - log.debug('initial state created: {!r}'.format(initial_state)) - - - # save list of initial states just generated - # some of these may not be used, depending on how WE shakes out - data_manager.update_initial_states(initial_states, n_iter=1) - - if not suppress_we: - self.we_driver.populate_initial(initial_states, weights, system) - segments = list(self.we_driver.next_iter_segments) - binning = self.we_driver.next_iter_binning - else: - segments = list(self.we_driver.current_iter_segments) - binning = self.we_driver.final_binning - - bin_occupancies = numpy.fromiter(map(len,binning), dtype=numpy.uint, count=self.we_driver.bin_mapper.nbins) - target_occupancies = numpy.require(self.we_driver.bin_target_counts, dtype=numpy.uint) - - # Make sure we have - for segment in segments: - segment.n_iter = 1 - segment.status = Segment.SEG_STATUS_PREPARED - assert segment.parent_id < 0 - assert initial_states[segment.initial_state_id].iter_used == 1 - - data_manager.prepare_iteration(1, segments) - data_manager.update_initial_states(initial_states, n_iter=1) - - if self.rc.verbose_mode: - pstatus('\nSegments generated:') - for segment in segments: - pstatus('{!r}'.format(segment)) - - - pstatus(''' - Total bins: {total_bins:d} - Initial replicas: {init_replicas:d} in {occ_bins:d} bins, total weight = {weight:g} - Total target replicas: {total_replicas:d} - '''.format(total_bins=len(bin_occupancies), - init_replicas=int(sum(bin_occupancies)), - occ_bins=len(bin_occupancies[bin_occupancies > 0]), - weight = float(sum(segment.weight for segment in segments)), - total_replicas = int(sum(target_occupancies)))) - - # Send the segments over to the data manager to commit to disk - data_manager.current_iteration = 1 - - # Report statistics - pstatus('Simulation prepared.') - self.segments = {segment.seg_id: segment for segment in segments} - self.report_bin_statistics(binning,save_summary=True) - data_manager.flush_backing() - - def prepare_iteration(self): - log.debug('beginning iteration {:d}'.format(self.n_iter)) - - # the WE driver needs a list of all target states for this iteration - # along with information about any new weights introduced (e.g. by recycling) - target_states = self.data_manager.get_target_states(self.n_iter) - new_weights = self.data_manager.get_new_weight_data(self.n_iter) - - self.we_driver.new_iteration(target_states=target_states, new_weights= new_weights) - - # Get basis states used in this iteration - self.current_iter_bstates = self.data_manager.get_basis_states(self.n_iter) - - # Get the segments for this iteration and separate into complete and incomplete - if self.segments is None: - segments = self.segments = {segment.seg_id: segment for segment in self.data_manager.get_segments()} - log.debug('loaded {:d} segments'.format(len(segments))) - else: - segments = self.segments - log.debug('using {:d} pre-existing segments'.format(len(segments))) - - completed_segments = self.completed_segments = {} - incomplete_segments = self.incomplete_segments = {} - for segment in segments.values(): - if segment.status == Segment.SEG_STATUS_COMPLETE: - completed_segments[segment.seg_id] = segment - else: - incomplete_segments[segment.seg_id] = segment - log.debug('{:d} segments are complete; {:d} are incomplete'.format(len(completed_segments), len(incomplete_segments))) - - if len(incomplete_segments) == len(segments): - # Starting a new iteration - self.rc.pstatus('Beginning iteration {:d}'.format(self.n_iter)) - elif incomplete_segments: - self.rc.pstatus('Continuing iteration {:d}'.format(self.n_iter)) - self.rc.pstatus('{:d} segments remain in iteration {:d} ({:d} total)'.format(len(incomplete_segments), self.n_iter, - len(segments))) - - # Get the initial states active for this iteration (so that the propagator has them if necessary) - self.current_iter_istates = {state.state_id: state for state in - self.data_manager.get_segment_initial_states(list(segments.values()))} - log.debug('This iteration uses {:d} initial states'.format(len(self.current_iter_istates))) - - # Assign this iteration's segments' initial points to bins and report on bin population - initial_pcoords = self.system.new_pcoord_array(len(segments)) - initial_binning = self.system.bin_mapper.construct_bins() - for iseg, segment in enumerate(segments.values()): - initial_pcoords[iseg] = segment.pcoord[0] - initial_assignments = self.system.bin_mapper.assign(initial_pcoords) - for (segment, assignment) in zip(iter(segments.values()), initial_assignments): - initial_binning[assignment].add(segment) - self.report_bin_statistics(initial_binning, save_summary=True) - del initial_pcoords, initial_binning - - # Let the WE driver assign completed segments - if completed_segments: - self.we_driver.assign(list(completed_segments.values())) - - # Get the basis states and initial states for the next iteration, necessary for doing on-the-fly recycling - self.next_iter_bstates = self.data_manager.get_basis_states(self.n_iter+1) - self.next_iter_bstate_cprobs = numpy.add.accumulate([bstate.probability for bstate in self.next_iter_bstates]) - - self.we_driver.avail_initial_states = {istate.state_id: istate - for istate in self.data_manager.get_unused_initial_states(n_iter=self.n_iter+1)} - log.debug('{:d} unused initial states found'.format(len(self.we_driver.avail_initial_states))) - - # Invoke callbacks - self.invoke_callbacks(self.prepare_iteration) - - # dispatch and immediately wait on result for prep_iter - log.debug('dispatching propagator prep_iter to work manager') - self.work_manager.submit(wm_ops.prep_iter, args=(self.n_iter, segments)).get_result() - - def finalize_iteration(self): - '''Clean up after an iteration and prepare for the next.''' - log.debug('finalizing iteration {:d}'.format(self.n_iter)) - - self.invoke_callbacks(self.finalize_iteration) - - # dispatch and immediately wait on result for post_iter - log.debug('dispatching propagator post_iter to work manager') - self.work_manager.submit(wm_ops.post_iter, args=(self.n_iter, list(self.segments.values()))).get_result() - - # Move existing segments into place as new segments - del self.segments - self.segments = {segment.seg_id: segment for segment in self.we_driver.next_iter_segments} - - def get_istate_futures(self): - '''Add ``n_states`` initial states to the internal list of initial states assigned to - recycled particles. Spare states are used if available, otherwise new states are created. - If created new initial states requires generation, then a set of futures is returned - representing work manager tasks corresponding to the necessary generation work.''' - - n_recycled = self.we_driver.n_recycled_segs - n_istates_needed = self.we_driver.n_istates_needed - - log.debug('{:d} unused initial states available'.format(len(self.we_driver.avail_initial_states))) - log.debug('{:d} new initial states required for recycling {:d} walkers'.format(n_istates_needed, - n_recycled)) - - futures = set() - updated_states = [] - for _i in range(n_istates_needed): - # Select a basis state according to its weight - ibstate = numpy.digitize([random.random()], self.next_iter_bstate_cprobs) - basis_state = self.next_iter_bstates[ibstate[0]] - initial_state = self.data_manager.create_initial_states(1, n_iter=self.n_iter+1)[0] - initial_state.iter_created = self.n_iter - initial_state.basis_state_id = basis_state.state_id - initial_state.istate_status = InitialState.ISTATE_STATUS_PENDING - - if self.do_gen_istates: - log.debug('generating new initial state from basis state {!r}'.format(basis_state)) - initial_state.istate_type = InitialState.ISTATE_TYPE_GENERATED - futures.add(self.work_manager.submit(wm_ops.gen_istate, args=(basis_state, initial_state))) - else: - log.debug('using basis state {!r} directly'.format(basis_state)) - initial_state.istate_type = InitialState.ISTATE_TYPE_BASIS - initial_state.pcoord = basis_state.pcoord.copy() - initial_state.istate_status = InitialState.ISTATE_STATUS_PREPARED - self.we_driver.avail_initial_states[initial_state.state_id] = initial_state - updated_states.append(initial_state) - self.data_manager.update_initial_states(updated_states, n_iter=self.n_iter+1) - return futures - - def propagate(self): - segments = list(self.incomplete_segments.values()) - log.debug('iteration {:d}: propagating {:d} segments'.format(self.n_iter, len(segments))) - - # all futures dispatched for this iteration - futures = set() - segment_futures = set() - - # Immediately dispatch any necessary initial state generation - istate_gen_futures = self.get_istate_futures() - futures.update(istate_gen_futures) - - # Dispatch propagation tasks using work manager - for segment_block in grouper(self.propagator_block_size, segments): - segment_block = [_f for _f in segment_block if _f] - pbstates, pistates = west.states.pare_basis_initial_states(self.current_iter_bstates, - list(self.current_iter_istates.values()), segment_block) - future = self.work_manager.submit(wm_ops.propagate, args=(pbstates, pistates, segment_block)) - futures.add(future) - segment_futures.add(future) - - while futures: - # TODO: add capacity for timeout or SIGINT here - future = self.work_manager.wait_any(futures) - futures.remove(future) - - if future in segment_futures: - segment_futures.remove(future) - incoming = future.get_result() - self.n_propagated += 1 - - self.segments.update({segment.seg_id: segment for segment in incoming}) - self.completed_segments.update({segment.seg_id: segment for segment in incoming}) - - # self.we_driver.assign(incoming) - new_istate_futures = self.get_istate_futures() - istate_gen_futures.update(new_istate_futures) - futures.update(new_istate_futures) - - with self.data_manager.expiring_flushing_lock(): - self.data_manager.update_segments(self.n_iter, incoming) - - elif future in istate_gen_futures: - istate_gen_futures.remove(future) - _basis_state, initial_state = future.get_result() - log.debug('received newly-prepared initial state {!r}'.format(initial_state)) - initial_state.istate_status = InitialState.ISTATE_STATUS_PREPARED - with self.data_manager.expiring_flushing_lock(): - self.data_manager.update_initial_states([initial_state], n_iter=self.n_iter+1) - self.we_driver.avail_initial_states[initial_state.state_id] = initial_state - else: - log.error('unknown future {!r} received from work manager'.format(future)) - raise AssertionError('untracked future {!r}'.format(future)) - #WARNING - self.we_driver.assign(self.segments.values(), endprop=True) - self.get_istate_futures() - log.debug('done with propagation') - self.save_bin_data() - self.data_manager.flush_backing() - - def save_bin_data(self): - '''Calculate and write flux and transition count matrices to HDF5. Population and rate matrices - are likely useless at the single-tau level and are no longer written.''' - # save_bin_data(self, populations, n_trans, fluxes, rates, n_iter=None) - - if self.save_transition_matrices: - with self.data_manager.expiring_flushing_lock(): - iter_group = self.data_manager.get_iter_group(self.n_iter) - for key in ['bin_ntrans', 'bin_fluxes']: - try: - del iter_group[key] - except KeyError: - pass - iter_group['bin_ntrans'] = self.we_driver.transition_matrix - iter_group['bin_fluxes'] = self.we_driver.flux_matrix - - def check_propagation(self): - '''Check for failures in propagation or initial state generation, and raise an exception - if any are found.''' - - failed_segments = [segment for segment in self.segments.values() if segment.status != Segment.SEG_STATUS_COMPLETE] - - if failed_segments: - failed_ids = ' \n'.join(str(segment.seg_id) for segment in failed_segments) - log.error('propagation failed for {:d} segment(s):\n{}'.format(len(failed_segments), failed_ids)) - raise PropagationError('propagation failed for {:d} segments'.format(len(failed_segments))) - else: - log.debug('propagation complete for iteration {:d}'.format(self.n_iter)) - - failed_istates = [istate for istate in self.we_driver.used_initial_states.values() - if istate.istate_status != InitialState.ISTATE_STATUS_PREPARED] - log.debug('{!r}'.format(failed_istates)) - if failed_istates: - failed_ids = ' \n'.join(str(istate.state_id) for istate in failed_istates) - log.error('initial state generation failed for {:d} states:\n{}'.format(len(failed_istates), failed_ids)) - raise PropagationError('initial state generation failed for {:d} states'.format(len(failed_istates))) - else: - log.debug('initial state generation complete for iteration {:d}'.format(self.n_iter)) - - - def run_we(self): - '''Run the weighted ensemble algorithm based on the binning in self.final_bins and - the recycled particles in self.to_recycle, creating and committing the next iteration's - segments to storage as well.''' - - # The WE driver now does almost everything; we just have to record the - # mapper used for binning this iteration, and update initial states - # that have been used - - try: - pickled, hashed = self.we_driver.bin_mapper.pickle_and_hash() - except PickleError: - pickled = hashed = '' - - self.bin_mapper_hash = hashed - self.we_driver.construct_next() - - if self.we_driver.used_initial_states: - for initial_state in self.we_driver.used_initial_states.values(): - initial_state.iter_used = self.n_iter+1 - self.data_manager.update_initial_states(list(self.we_driver.used_initial_states.values())) - - self.data_manager.update_segments(self.n_iter,list(self.segments.values())) - - self.data_manager.require_iter_group(self.n_iter+1) - self.data_manager.save_iter_binning(self.n_iter+1, hashed, pickled, self.we_driver.bin_target_counts) - - # Report on recycling - recycling_events = {} - for nw in self.we_driver.new_weights: - try: - recycling_events[nw.target_state_id].add(nw.weight) - except KeyError: - recycling_events[nw.target_state_id] = set([nw.weight]) - - tstates_by_id = {state.state_id: state for state in self.we_driver.target_states.values()} - for tstate_id, weights in recycling_events.items(): - tstate = tstates_by_id[tstate_id] - self.rc.pstatus('Recycled {:g} probability ({:d} walkers) from target state {!r}'.format(sum(weights), - len(weights), - tstate.label)) - - def prepare_new_iteration(self): - '''Commit data for the coming iteration to the HDF5 file.''' - self.invoke_callbacks(self.prepare_new_iteration) - - if self.rc.debug_mode: - self.rc.pstatus('\nSegments generated:') - for segment in self.we_driver.next_iter_segments: - self.rc.pstatus('{!r} pcoord[0]={!r}'.format(segment, segment.pcoord[0])) - - self.data_manager.prepare_iteration(self.n_iter+1, list(self.we_driver.next_iter_segments)) - self.data_manager.save_new_weight_data(self.n_iter+1, self.we_driver.new_weights) - - def run(self): - run_starttime = time.time() - max_walltime = self.max_run_walltime - if max_walltime: - run_killtime = run_starttime + max_walltime - self.rc.pstatus('Maximum wallclock time: %s' % timedelta(seconds=max_walltime or 0)) - else: - run_killtime = None - - self.n_iter = self.data_manager.current_iteration - max_iter = self.max_total_iterations or self.n_iter+1 - - iter_elapsed = 0 - while self.n_iter <= max_iter: - - if max_walltime and time.time() + 1.1*iter_elapsed >= run_killtime: - self.rc.pstatus('Iteration {:d} would require more than the allotted time. Ending run.' - .format(self.n_iter)) - return - - try: - iter_start_time = time.time() - - self.rc.pstatus('\n%s' % time.asctime()) - self.rc.pstatus('Iteration %d (%d requested)' % (self.n_iter, max_iter)) - - self.prepare_iteration() - self.rc.pflush() - - self.pre_propagation() - self.propagate() - self.rc.pflush() - self.check_propagation() - self.rc.pflush() - self.post_propagation() - - cputime = sum(segment.cputime for segment in self.segments.values()) - - self.rc.pflush() - self.pre_we() - self.run_we() - self.post_we() - self.rc.pflush() - - self.prepare_new_iteration() - - self.finalize_iteration() - - iter_elapsed = time.time() - iter_start_time - iter_summary = self.data_manager.get_iter_summary() - iter_summary['walltime'] += iter_elapsed - iter_summary['cputime'] = cputime - self.data_manager.update_iter_summary(iter_summary) - - self.n_iter += 1 - self.data_manager.current_iteration += 1 - - try: - #This may give NaN if starting a truncated simulation - walltime = timedelta(seconds=float(iter_summary['walltime'])) - except ValueError: - walltime = 0.0 - - try: - cputime = timedelta(seconds=float(iter_summary['cputime'])) - except ValueError: - cputime = 0.0 - - self.rc.pstatus('Iteration wallclock: {0!s}, cputime: {1!s}\n'\ - .format(walltime, - cputime)) - self.rc.pflush() - finally: - self.data_manager.flush_backing() - - self.rc.pstatus('\n%s' % time.asctime()) - self.rc.pstatus('WEST run complete.') - - def prepare_run(self): - '''Prepare a new run.''' - self.data_manager.prepare_run() - self.system.prepare_run() - self.invoke_callbacks(self.prepare_run) - - def finalize_run(self): - '''Perform cleanup at the normal end of a run''' - self.invoke_callbacks(self.finalize_run) - self.system.finalize_run() - self.data_manager.finalize_run() - - def pre_propagation(self): - self.invoke_callbacks(self.pre_propagation) - - def post_propagation(self): - self.invoke_callbacks(self.post_propagation) - - def pre_we(self): - self.invoke_callbacks(self.pre_we) - - def post_we(self): - self.invoke_callbacks(self.post_we) \ No newline at end of file diff --git a/adaptive_binning/managerWIP.py b/adaptive_binning/managerWIP.py deleted file mode 100644 index fa98288..0000000 --- a/adaptive_binning/managerWIP.py +++ /dev/null @@ -1,696 +0,0 @@ -import time, operator, math, numpy, random -from itertools import zip_longest -from datetime import timedelta -import logging -log = logging.getLogger(__name__) - -import westpa -import west -from west.states import InitialState -from westpa import extloader -from west import Segment - -from west import wm_ops -from west.data_manager import weight_dtype - -from pickle import PickleError - -EPS = numpy.finfo(weight_dtype).eps - -def grouper(n, iterable, fillvalue=None): - "Collect data into fixed-length chunks or blocks" - # grouper(3, 'ABCDEFG', 'x') --> ABC DEF Gxx - args = [iter(iterable)] * n - return zip_longest(fillvalue=fillvalue, *args) - -class PropagationError(RuntimeError): - pass - -class WESimManager: - def process_config(self): - config = self.rc.config - for (entry, type_) in [('gen_istates', bool), - ('block_size', int), - ('save_transition_matrices', bool)]: - config.require_type_if_present(['west', 'propagation', entry], type_) - - self.do_gen_istates = config.get(['west', 'propagation', 'gen_istates'], False) - self.propagator_block_size = config.get(['west', 'propagation', 'block_size'], 1) - self.save_transition_matrices = config.get(['west', 'propagation', 'save_transition_matrices'], False) - self.max_run_walltime = config.get(['west', 'propagation', 'max_run_wallclock'], default=None) - self.max_total_iterations = config.get(['west', 'propagation', 'max_total_iterations'], default=None) - - - def __init__(self, rc=None): - self.rc = rc or westpa.rc - self.work_manager = self.rc.get_work_manager() - self.data_manager = self.rc.get_data_manager() - self.we_driver = self.rc.get_we_driver() - self.system = self.rc.get_system_driver() - - # A table of function -> list of (priority, name, callback) tuples - self._callback_table = {} - self._valid_callbacks = set((self.prepare_run, self.finalize_run, - self.prepare_iteration, self.finalize_iteration, - self.pre_propagation, self.post_propagation, - self.pre_we, self.post_we, self.prepare_new_iteration)) - self._callbacks_by_name = {fn.__name__: fn for fn in self._valid_callbacks} - self.n_propagated = 0 - - # config items - self.do_gen_istates = False - self.propagator_block_size = 1 - self.save_transition_matrices = False - self.max_run_walltime = None - self.max_total_iterations = None - self.process_config() - - # Per-iteration variables - self.n_iter = None # current iteration - - # Basis and initial states for this iteration, in case the propagator needs them - self.current_iter_bstates = None # BasisStates valid at this iteration - self.current_iter_istates = None # InitialStates used in this iteration - - # Basis states for next iteration - self.next_iter_bstates = None # BasisStates valid for the next iteration - self.next_iter_bstate_cprobs = None # Cumulative probabilities for basis states, used for selection - - # Initial states for next iteration - #self.next_iter_istates = None - #self.next_iter_avail_istates = None # InitialStates available for use next iteration - #self.next_iter_assigned_istates = None # InitialStates that were available or generated in this iteration but then used - - # Tracking of this iteration's segments - self.segments = None # Mapping of seg_id to segment for all segments in this iteration - self.completed_segments = None # Mapping of seg_id to segment for all completed segments in this iteration - self.incomplete_segments = None # Mapping of seg_id to segment for all incomplete segments in this iteration - - # Tracking of binning - self.bin_mapper_hash = None # Hash of bin mapper from most recently-run WE, for use by post-WE analysis plugins - - - def register_callback(self, hook, function, priority=0): - '''Registers a callback to execute during the given ``hook`` into the simulation loop. The optional - priority is used to order when the function is called relative to other registered callbacks.''' - - if hook not in self._valid_callbacks: - try: - hook = self._callbacks_by_name[hook] - except KeyError: - raise KeyError('invalid hook {!r}'.format(hook)) - - try: - self._callback_table[hook].add((priority,function.__name__,function)) - except KeyError: - self._callback_table[hook] = set([(priority,function.__name__,function)]) - - log.debug('registered callback {!r} for hook {!r}'.format(function, hook)) - - def invoke_callbacks(self, hook, *args, **kwargs): - callbacks = self._callback_table.get(hook, []) - sorted_callbacks = sorted(callbacks) - for (priority, name, fn) in sorted_callbacks: - log.debug('invoking callback {!r} for hook {!r}'.format(fn,hook)) - fn(*args, **kwargs) - - def load_plugins(self): - try: - plugins_config = westpa.rc.config['west', 'plugins'] - except KeyError: - return - - for plugin_config in (plugins_config or []): - plugin_name = plugin_config['plugin'] - if plugin_config.get('enabled', True): - log.info('loading plugin {!r}'.format(plugin_name)) - plugin = extloader.get_object(plugin_name)(self, plugin_config) - log.debug('loaded plugin {!r}'.format(plugin)) - - def report_bin_statistics(self, bins, save_summary=False): - segments = list(self.segments.values()) - bin_counts = numpy.fromiter(map(len,bins), dtype=numpy.int_, count=len(bins)) - target_counts = self.we_driver.bin_target_counts - - # Do not include bins with target count zero (e.g. sinks, never-filled bins) in the (non)empty bins statistics - n_active_bins = len(segments)/target_counts[0] - seg_probs = numpy.fromiter(map(operator.attrgetter('weight'), segments), dtype=weight_dtype, count=len(segments)) - bin_probs = numpy.fromiter(map(operator.attrgetter('weight'), bins), dtype=weight_dtype, count=len(bins)) - norm = seg_probs.sum() - - assert abs(1 - norm) < EPS*(len(segments)+n_active_bins) - - min_seg_prob = seg_probs[seg_probs!=0].min() - max_seg_prob = seg_probs.max() - seg_drange = math.log(max_seg_prob/min_seg_prob) - min_bin_prob = bin_probs[bin_probs!=0].min() - max_bin_prob = bin_probs.max() - bin_drange = math.log(max_bin_prob/min_bin_prob) - n_pop = len(bin_counts[bin_counts!=0]) - - self.rc.pstatus('{:d} of {:d} ({:%}) active bins are populated'.format(n_pop, n_active_bins,n_pop/n_active_bins)) - self.rc.pstatus('per-bin minimum non-zero probability: {:g}'.format(min_bin_prob)) - self.rc.pstatus('per-bin maximum probability: {:g}'.format(max_bin_prob)) - self.rc.pstatus('per-bin probability dynamic range (kT): {:g}'.format(bin_drange)) - self.rc.pstatus('per-segment minimum non-zero probability: {:g}'.format(min_seg_prob)) - self.rc.pstatus('per-segment maximum non-zero probability: {:g}'.format(max_seg_prob)) - self.rc.pstatus('per-segment probability dynamic range (kT): {:g}'.format(seg_drange)) - self.rc.pstatus('norm = {:g}, error in norm = {:g} ({:.2g}*epsilon)'.format(norm,(norm-1),(norm-1)/EPS)) - self.rc.pflush() - - if save_summary: - iter_summary = self.data_manager.get_iter_summary() - iter_summary['n_particles'] = len(segments) - iter_summary['norm'] = norm - iter_summary['min_bin_prob'] = min_bin_prob - iter_summary['max_bin_prob'] = max_bin_prob - iter_summary['min_seg_prob'] = min_seg_prob - iter_summary['max_seg_prob'] = max_seg_prob - if numpy.isnan(iter_summary['cputime']): iter_summary['cputime'] = 0.0 - if numpy.isnan(iter_summary['walltime']): iter_summary['walltime'] = 0.0 - self.data_manager.update_iter_summary(iter_summary) - - def get_bstate_pcoords(self, basis_states): - '''For each of the given ``basis_states``, calculate progress coordinate values - as necessary. The HDF5 file is not updated.''' - - self.rc.pstatus('Calculating progress coordinate values for basis states.') - futures = [self.work_manager.submit(wm_ops.get_pcoord, args=(basis_state,)) - for basis_state in basis_states] - fmap = {future: i for (i, future) in enumerate(futures)} - for future in self.work_manager.as_completed(futures): - basis_states[fmap[future]].pcoord = future.get_result().pcoord - - def report_basis_states(self, basis_states): - pstatus = self.rc.pstatus - pstatus('{:d} basis state(s) present'.format(len(basis_states)), end='') - if self.rc.verbose_mode: - pstatus(':') - pstatus('{:6s} {:12s} {:20s} {:20s} {}' - .format('ID', 'Label', 'Probability', 'Aux Reference', 'Progress Coordinate')) - for basis_state in basis_states: - pstatus('{:<6d} {:12s} {:<20.14g} {:20s} {}'. - format(basis_state.state_id, basis_state.label, basis_state.probability, basis_state.auxref or '', - ', '.join(map(str,basis_state.pcoord)))) - pstatus() - self.rc.pflush() - - def report_target_states(self, target_states): - pstatus = self.rc.pstatus - pstatus('{:d} target state(s) present'.format(len(target_states)), end='') - if self.rc.verbose_mode and target_states: - pstatus(':') - pstatus('{:6s} {:12s} {}'.format('ID', 'Label', 'Progress Coordinate')) - for target_state in target_states: - pstatus('{:<6d} {:12s} {}' - .format(target_state.state_id, target_state.label, ','.join(map(str,target_state.pcoord)))) - pstatus() - self.rc.pflush() - - def initialize_simulation(self, basis_states, target_states, segs_per_state=1, suppress_we=False): - '''Initialize a new weighted ensemble simulation, taking ``segs_per_state`` initial - states from each of the given ``basis_states``. - - ``w_init`` is the forward-facing version of this function''' - - data_manager = self.data_manager - work_manager = self.work_manager - pstatus = self.rc.pstatus - system = self.system - - pstatus('Creating HDF5 file {!r}'.format(self.data_manager.we_h5filename)) - data_manager.prepare_backing() - - # Process target states - data_manager.save_target_states(target_states) - self.report_target_states(target_states) - - - # Process basis states - self.get_bstate_pcoords(basis_states) - self.data_manager.create_ibstate_group(basis_states) - self.report_basis_states(basis_states) - - pstatus('Preparing initial states') - initial_states = [] - weights = [] - if self.do_gen_istates: - istate_type = InitialState.ISTATE_TYPE_GENERATED - else: - istate_type = InitialState.ISTATE_TYPE_BASIS - - for basis_state in basis_states: - for _iseg in range(segs_per_state): - initial_state = data_manager.create_initial_states(1,1)[0] - initial_state.basis_state_id = basis_state.state_id - initial_state.basis_state = basis_state - initial_state.istate_type = istate_type - weights.append(basis_state.probability/segs_per_state) - initial_states.append(initial_state) - - if self.do_gen_istates: - futures = [work_manager.submit(wm_ops.gen_istate, args=(initial_state.basis_state, initial_state)) - for initial_state in initial_states] - for future in work_manager.as_completed(futures): - rbstate, ristate = future.get_result() - initial_states[ristate.state_id].pcoord = ristate.pcoord - else: - for initial_state in initial_states: - basis_state = initial_state.basis_state - initial_state.pcoord = basis_state.pcoord - initial_state.istate_status = InitialState.ISTATE_STATUS_PREPARED - - for initial_state in initial_states: - log.debug('initial state created: {!r}'.format(initial_state)) - - - # save list of initial states just generated - # some of these may not be used, depending on how WE shakes out - data_manager.update_initial_states(initial_states, n_iter=1) - - if not suppress_we: - self.we_driver.populate_initial(initial_states, weights, system) - segments = list(self.we_driver.next_iter_segments) - binning = self.we_driver.next_iter_binning - else: - segments = list(self.we_driver.current_iter_segments) - binning = self.we_driver.final_binning - - bin_occupancies = numpy.fromiter(map(len,binning), dtype=numpy.uint, count=self.we_driver.bin_mapper.nbins) - target_occupancies = numpy.require(self.we_driver.bin_target_counts, dtype=numpy.uint) - - # Make sure we have - for segment in segments: - segment.n_iter = 1 - segment.status = Segment.SEG_STATUS_PREPARED - assert segment.parent_id < 0 - assert initial_states[segment.initial_state_id].iter_used == 1 - - data_manager.prepare_iteration(1, segments) - data_manager.update_initial_states(initial_states, n_iter=1) - - if self.rc.verbose_mode: - pstatus('\nSegments generated:') - for segment in segments: - pstatus('{!r}'.format(segment)) - - - pstatus(''' - Total bins: {total_bins:d} - Initial replicas: {init_replicas:d} in {occ_bins:d} bins, total weight = {weight:g} - Total target replicas: {total_replicas:d} - '''.format(total_bins=len(bin_occupancies), - init_replicas=int(sum(bin_occupancies)), - occ_bins=len(bin_occupancies[bin_occupancies > 0]), - weight = float(sum(segment.weight for segment in segments)), - total_replicas = int(sum(target_occupancies)))) - - # Send the segments over to the data manager to commit to disk - data_manager.current_iteration = 1 - - # Report statistics - pstatus('Simulation prepared.') - self.segments = {segment.seg_id: segment for segment in segments} - self.report_bin_statistics(binning,save_summary=True) - data_manager.flush_backing() - - def prepare_iteration(self): - log.debug('beginning iteration {:d}'.format(self.n_iter)) - - # the WE driver needs a list of all target states for this iteration - # along with information about any new weights introduced (e.g. by recycling) - target_states = self.data_manager.get_target_states(self.n_iter) - new_weights = self.data_manager.get_new_weight_data(self.n_iter) - - self.we_driver.new_iteration(target_states=target_states, new_weights= new_weights) - - # Get basis states used in this iteration - self.current_iter_bstates = self.data_manager.get_basis_states(self.n_iter) - - # Get the segments for this iteration and separate into complete and incomplete - if self.segments is None: - segments = self.segments = {segment.seg_id: segment for segment in self.data_manager.get_segments()} - log.debug('loaded {:d} segments'.format(len(segments))) - else: - segments = self.segments - log.debug('using {:d} pre-existing segments'.format(len(segments))) - - completed_segments = self.completed_segments = {} - incomplete_segments = self.incomplete_segments = {} - for segment in segments.values(): - if segment.status == Segment.SEG_STATUS_COMPLETE: - completed_segments[segment.seg_id] = segment - else: - incomplete_segments[segment.seg_id] = segment - log.debug('{:d} segments are complete; {:d} are incomplete'.format(len(completed_segments), len(incomplete_segments))) - - if len(incomplete_segments) == len(segments): - # Starting a new iteration - self.rc.pstatus('Beginning iteration {:d}'.format(self.n_iter)) - elif incomplete_segments: - self.rc.pstatus('Continuing iteration {:d}'.format(self.n_iter)) - self.rc.pstatus('{:d} segments remain in iteration {:d} ({:d} total)'.format(len(incomplete_segments), self.n_iter, - len(segments))) - - # Get the initial states active for this iteration (so that the propagator has them if necessary) - self.current_iter_istates = {state.state_id: state for state in - self.data_manager.get_segment_initial_states(list(segments.values()))} - log.debug('This iteration uses {:d} initial states'.format(len(self.current_iter_istates))) - - # Assign this iteration's segments' initial points to bins and report on bin population - initial_pcoords = self.system.new_pcoord_array(len(segments)) - initial_binning = self.system.bin_mapper.construct_bins() - for iseg, segment in enumerate(segments.values()): - initial_pcoords[iseg] = segment.pcoord[0] - initial_assignments = self.system.bin_mapper.assign(initial_pcoords) - for (segment, assignment) in zip(iter(segments.values()), initial_assignments): - initial_binning[assignment].add(segment) - self.report_bin_statistics(initial_binning, save_summary=True) - del initial_pcoords, initial_binning - - # Let the WE driver assign completed segments - if completed_segments: - self.we_driver.assign(list(completed_segments.values())) - - # Get the basis states and initial states for the next iteration, necessary for doing on-the-fly recycling - self.next_iter_bstates = self.data_manager.get_basis_states(self.n_iter+1) - self.next_iter_bstate_cprobs = numpy.add.accumulate([bstate.probability for bstate in self.next_iter_bstates]) - - self.we_driver.avail_initial_states = {istate.state_id: istate - for istate in self.data_manager.get_unused_initial_states(n_iter=self.n_iter+1)} - log.debug('{:d} unused initial states found'.format(len(self.we_driver.avail_initial_states))) - - # Invoke callbacks - self.invoke_callbacks(self.prepare_iteration) - - # dispatch and immediately wait on result for prep_iter - log.debug('dispatching propagator prep_iter to work manager') - self.work_manager.submit(wm_ops.prep_iter, args=(self.n_iter, segments)).get_result() - - def finalize_iteration(self): - '''Clean up after an iteration and prepare for the next.''' - log.debug('finalizing iteration {:d}'.format(self.n_iter)) - - self.invoke_callbacks(self.finalize_iteration) - - # dispatch and immediately wait on result for post_iter - log.debug('dispatching propagator post_iter to work manager') - self.work_manager.submit(wm_ops.post_iter, args=(self.n_iter, list(self.segments.values()))).get_result() - - # Move existing segments into place as new segments - del self.segments - self.segments = {segment.seg_id: segment for segment in self.we_driver.next_iter_segments} - - def get_istate_futures(self): - '''Add ``n_states`` initial states to the internal list of initial states assigned to - recycled particles. Spare states are used if available, otherwise new states are created. - If created new initial states requires generation, then a set of futures is returned - representing work manager tasks corresponding to the necessary generation work.''' - - n_recycled = self.we_driver.n_recycled_segs - n_istates_needed = self.we_driver.n_istates_needed - - log.debug('{:d} unused initial states available'.format(len(self.we_driver.avail_initial_states))) - log.debug('{:d} new initial states required for recycling {:d} walkers'.format(n_istates_needed, - n_recycled)) - - futures = set() - updated_states = [] - for _i in range(n_istates_needed): - # Select a basis state according to its weight - ibstate = numpy.digitize([random.random()], self.next_iter_bstate_cprobs) - basis_state = self.next_iter_bstates[ibstate[0]] - initial_state = self.data_manager.create_initial_states(1, n_iter=self.n_iter+1)[0] - initial_state.iter_created = self.n_iter - initial_state.basis_state_id = basis_state.state_id - initial_state.istate_status = InitialState.ISTATE_STATUS_PENDING - - if self.do_gen_istates: - log.debug('generating new initial state from basis state {!r}'.format(basis_state)) - initial_state.istate_type = InitialState.ISTATE_TYPE_GENERATED - futures.add(self.work_manager.submit(wm_ops.gen_istate, args=(basis_state, initial_state))) - else: - log.debug('using basis state {!r} directly'.format(basis_state)) - initial_state.istate_type = InitialState.ISTATE_TYPE_BASIS - initial_state.pcoord = basis_state.pcoord.copy() - initial_state.istate_status = InitialState.ISTATE_STATUS_PREPARED - self.we_driver.avail_initial_states[initial_state.state_id] = initial_state - updated_states.append(initial_state) - self.data_manager.update_initial_states(updated_states, n_iter=self.n_iter+1) - return futures - - def propagate(self): - segments = list(self.incomplete_segments.values()) - log.debug('iteration {:d}: propagating {:d} segments'.format(self.n_iter, len(segments))) - - # all futures dispatched for this iteration - futures = set() - segment_futures = set() - - # Immediately dispatch any necessary initial state generation - istate_gen_futures = self.get_istate_futures() - futures.update(istate_gen_futures) - - # Dispatch propagation tasks using work manager - for segment_block in grouper(self.propagator_block_size, segments): - segment_block = [_f for _f in segment_block if _f] - pbstates, pistates = west.states.pare_basis_initial_states(self.current_iter_bstates, - list(self.current_iter_istates.values()), segment_block) - future = self.work_manager.submit(wm_ops.propagate, args=(pbstates, pistates, segment_block)) - futures.add(future) - segment_futures.add(future) - - while futures: - # TODO: add capacity for timeout or SIGINT here - future = self.work_manager.wait_any(futures) - futures.remove(future) - - if future in segment_futures: - segment_futures.remove(future) - incoming = future.get_result() - self.n_propagated += 1 - - self.segments.update({segment.seg_id: segment for segment in incoming}) - self.completed_segments.update({segment.seg_id: segment for segment in incoming}) - - # self.we_driver.assign(incoming) - new_istate_futures = self.get_istate_futures() - istate_gen_futures.update(new_istate_futures) - futures.update(new_istate_futures) - - with self.data_manager.expiring_flushing_lock(): - self.data_manager.update_segments(self.n_iter, incoming) - - elif future in istate_gen_futures: - istate_gen_futures.remove(future) - _basis_state, initial_state = future.get_result() - log.debug('received newly-prepared initial state {!r}'.format(initial_state)) - initial_state.istate_status = InitialState.ISTATE_STATUS_PREPARED - with self.data_manager.expiring_flushing_lock(): - self.data_manager.update_initial_states([initial_state], n_iter=self.n_iter+1) - self.we_driver.avail_initial_states[initial_state.state_id] = initial_state - else: - log.error('unknown future {!r} received from work manager'.format(future)) - raise AssertionError('untracked future {!r}'.format(future)) - #WARNING - self.we_driver.assign(self.segments.values(), endprop=True) - self.get_istate_futures() - log.debug('done with propagation') - self.save_bin_data() - self.data_manager.flush_backing() - - def save_bin_data(self): - '''Calculate and write flux and transition count matrices to HDF5. Population and rate matrices - are likely useless at the single-tau level and are no longer written.''' - # save_bin_data(self, populations, n_trans, fluxes, rates, n_iter=None) - - if self.save_transition_matrices: - with self.data_manager.expiring_flushing_lock(): - iter_group = self.data_manager.get_iter_group(self.n_iter) - for key in ['bin_ntrans', 'bin_fluxes']: - try: - del iter_group[key] - except KeyError: - pass - iter_group['bin_ntrans'] = self.we_driver.transition_matrix - iter_group['bin_fluxes'] = self.we_driver.flux_matrix - - def check_propagation(self): - '''Check for failures in propagation or initial state generation, and raise an exception - if any are found.''' - - failed_segments = [segment for segment in self.segments.values() if segment.status != Segment.SEG_STATUS_COMPLETE] - - if failed_segments: - failed_ids = ' \n'.join(str(segment.seg_id) for segment in failed_segments) - log.error('propagation failed for {:d} segment(s):\n{}'.format(len(failed_segments), failed_ids)) - raise PropagationError('propagation failed for {:d} segments'.format(len(failed_segments))) - else: - log.debug('propagation complete for iteration {:d}'.format(self.n_iter)) - - failed_istates = [istate for istate in self.we_driver.used_initial_states.values() - if istate.istate_status != InitialState.ISTATE_STATUS_PREPARED] - log.debug('{!r}'.format(failed_istates)) - if failed_istates: - failed_ids = ' \n'.join(str(istate.state_id) for istate in failed_istates) - log.error('initial state generation failed for {:d} states:\n{}'.format(len(failed_istates), failed_ids)) - raise PropagationError('initial state generation failed for {:d} states'.format(len(failed_istates))) - else: - log.debug('initial state generation complete for iteration {:d}'.format(self.n_iter)) - - - def run_we(self): - '''Run the weighted ensemble algorithm based on the binning in self.final_bins and - the recycled particles in self.to_recycle, creating and committing the next iteration's - segments to storage as well.''' - - # The WE driver now does almost everything; we just have to record the - # mapper used for binning this iteration, and update initial states - # that have been used - - try: - pickled, hashed = self.we_driver.bin_mapper.pickle_and_hash() - except PickleError: - pickled = hashed = '' - - self.bin_mapper_hash = hashed - self.we_driver.construct_next() - - if self.we_driver.used_initial_states: - for initial_state in self.we_driver.used_initial_states.values(): - initial_state.iter_used = self.n_iter+1 - self.data_manager.update_initial_states(list(self.we_driver.used_initial_states.values())) - - self.data_manager.update_segments(self.n_iter,list(self.segments.values())) - - self.data_manager.require_iter_group(self.n_iter+1) - self.data_manager.save_iter_binning(self.n_iter+1, hashed, pickled, self.we_driver.bin_target_counts) - - # Report on recycling - recycling_events = {} - for nw in self.we_driver.new_weights: - try: - recycling_events[nw.target_state_id].add(nw.weight) - except KeyError: - recycling_events[nw.target_state_id] = set([nw.weight]) - - tstates_by_id = {state.state_id: state for state in self.we_driver.target_states.values()} - for tstate_id, weights in recycling_events.items(): - tstate = tstates_by_id[tstate_id] - self.rc.pstatus('Recycled {:g} probability ({:d} walkers) from target state {!r}'.format(sum(weights), - len(weights), - tstate.label)) - - def prepare_new_iteration(self): - '''Commit data for the coming iteration to the HDF5 file.''' - self.invoke_callbacks(self.prepare_new_iteration) - - if self.rc.debug_mode: - self.rc.pstatus('\nSegments generated:') - for segment in self.we_driver.next_iter_segments: - self.rc.pstatus('{!r} pcoord[0]={!r}'.format(segment, segment.pcoord[0])) - - self.data_manager.prepare_iteration(self.n_iter+1, list(self.we_driver.next_iter_segments)) - self.data_manager.save_new_weight_data(self.n_iter+1, self.we_driver.new_weights) - - def run(self): - run_starttime = time.time() - max_walltime = self.max_run_walltime - if max_walltime: - run_killtime = run_starttime + max_walltime - self.rc.pstatus('Maximum wallclock time: %s' % timedelta(seconds=max_walltime or 0)) - else: - run_killtime = None - - self.n_iter = self.data_manager.current_iteration - max_iter = self.max_total_iterations or self.n_iter+1 - - iter_elapsed = 0 - while self.n_iter <= max_iter: - - if max_walltime and time.time() + 1.1*iter_elapsed >= run_killtime: - self.rc.pstatus('Iteration {:d} would require more than the allotted time. Ending run.' - .format(self.n_iter)) - return - - try: - iter_start_time = time.time() - - self.rc.pstatus('\n%s' % time.asctime()) - self.rc.pstatus('Iteration %d (%d requested)' % (self.n_iter, max_iter)) - - self.prepare_iteration() - self.rc.pflush() - - self.pre_propagation() - self.propagate() - self.rc.pflush() - self.check_propagation() - self.rc.pflush() - self.post_propagation() - - cputime = sum(segment.cputime for segment in self.segments.values()) - - self.rc.pflush() - self.pre_we() - self.run_we() - self.post_we() - self.rc.pflush() - - self.prepare_new_iteration() - - self.finalize_iteration() - - iter_elapsed = time.time() - iter_start_time - iter_summary = self.data_manager.get_iter_summary() - iter_summary['walltime'] += iter_elapsed - iter_summary['cputime'] = cputime - self.data_manager.update_iter_summary(iter_summary) - - self.n_iter += 1 - self.data_manager.current_iteration += 1 - - try: - #This may give NaN if starting a truncated simulation - walltime = timedelta(seconds=float(iter_summary['walltime'])) - except ValueError: - walltime = 0.0 - - try: - cputime = timedelta(seconds=float(iter_summary['cputime'])) - except ValueError: - cputime = 0.0 - - self.rc.pstatus('Iteration wallclock: {0!s}, cputime: {1!s}\n'\ - .format(walltime, - cputime)) - self.rc.pflush() - finally: - self.data_manager.flush_backing() - - self.rc.pstatus('\n%s' % time.asctime()) - self.rc.pstatus('WEST run complete.') - - def prepare_run(self): - '''Prepare a new run.''' - self.data_manager.prepare_run() - self.system.prepare_run() - self.invoke_callbacks(self.prepare_run) - - def finalize_run(self): - '''Perform cleanup at the normal end of a run''' - self.invoke_callbacks(self.finalize_run) - self.system.finalize_run() - self.data_manager.finalize_run() - - def pre_propagation(self): - self.invoke_callbacks(self.pre_propagation) - - def post_propagation(self): - self.invoke_callbacks(self.post_propagation) - - def pre_we(self): - self.invoke_callbacks(self.pre_we) - - def post_we(self): - self.invoke_callbacks(self.post_we) \ No newline at end of file diff --git a/adaptive_binning/outlinesystem.py b/adaptive_binning/outlinesystem.py deleted file mode 100644 index 06fe901..0000000 --- a/adaptive_binning/outlinesystem.py +++ /dev/null @@ -1,29 +0,0 @@ -from __future__ import print_function, division -import numpy -from west.propagators import WESTPropagator -from west.systems import WESTSystem -from westpa.binning import RectilinearBinMapper -from westpa.binning import FuncBinMapper -from westpa.binning import RecursiveBinMapper - -import logging -log = logging.getLogger('westpa.rc') - -PI = numpy.pi -from numpy import * -pcoord_dtype = numpy.float32 - -######### -def function_map(coords, mask, output): -#The coords are your incoming progress coordinates in array form and the output for return is an array of the same length containg the bin number in the corresponding indicie of the walker with coordinate in the coords array - return output - -class System(WESTSystem): - def initialize(self): -#You will need to specify actual values here - self.pcoord_ndim = numberofdim - self.pcoord_len = pcoordlength - self.pcoord_dtype = numpy.float32 - self.bin_mapper = FuncBinMapper(function_map, numberofbins) - self.bin_target_counts = numpy.empty((self.bin_mapper.nbins,), numpy.int_) - self.bin_target_counts[...] = bintargetcount \ No newline at end of file diff --git a/adaptive_binning/uniqueadaptive.py b/adaptive_binning/uniqueadaptive.py deleted file mode 100644 index 64737ff..0000000 --- a/adaptive_binning/uniqueadaptive.py +++ /dev/null @@ -1,129 +0,0 @@ -from __future__ import print_function, division -import numpy -from west.propagators import WESTPropagator -from west.systems import WESTSystem -from westpa.binning import RectilinearBinMapper -from westpa.binning import FuncBinMapper -from westpa.binning import RecursiveBinMapper - -import logging - -log = logging.getLogger('westpa.rc') -PI = numpy.pi -from numpy import * - -pcoord_dtype = numpy.float32 - -#THESE ARE THE PARAMETERS YOU CAN CHANGE -bintargetcount=4 #number of walkers per bin -numberofdim=3 # number of dimensions -binsperdim=[5,5,3] # You will have prod(binsperdim)+numberofdim*(2+2*splitIsolated)+activetarget bins total -pcoordlength=101 # length of the pcoord -maxcap=[20] #for each dimension enter the maximum number at which binning can occur, if you do not wish to have a cap use inf -mincap=[-inf] #for each dimension enter the minimum number at which binning can occur, if you do not wish to have a cap use -inf -targetstate=[2.6] #enter boundaries for target state or None if there is no target state in that dimension -targetstatedirection=[-1] #if your target state is meant to be greater that the starting pcoor use 1 or else use -1. This will be done for each dimension in your simulation -activetarget=1 #if there is no target state make this zero -splitIsolated=1 #choose 0 to disable the use of bottleneck walkers (not recomended) - -######### - -def function_map(coords, mask, output): - splittingrelevant=True #This is to make sure splitting is relevant (not relevant for binner after recycling for example) - originalcoords=copy(coords) #It is a good idea to keep an original array - maxlist=[] #Preparing array to contain maximum pcoords in each dimension - minlist=[] #Preparing array to contain minimum pcoords in each dimension - difflist=[] #Preparing array to contain "bottleneck" values in positive direction for each dimensio #Preparing array to contain "bottleneck" values in negative direction for each dimensionn - flipdifflist=[] #Preparing array to contain "bottleneck" values in negative direction for each dimension - - for n in range(numberofdim): #going through each dimension - try: #because binning should be handled different for recycled trajectories we load in a binbounds.txt created after an iteration completes - extremabounds=loadtxt('binbounds.txt') - currentmax=amax(extremabounds[:,n]) - currentmin=amin(extremabounds[:,n]) - - except: #during initialization this may not exitst so use current coords for extrema - currentmax=amax(coords[:,n]) - currentmin=amin(coords[:,n]) - if maxcap[n]currentmin: #Checking the mincap in each dimension - currentmin=mincap[n] - maxlist.append(currentmax) #Need arrays for our extrema since there may be multiple depending on number of dimension - minlist.append(currentmin) - - try: #Recycled trajectories should not be tagged and will throw exception to be handled by except statement - temp=column_stack((coords[:,n],coords[:,numberofdim])) #Create an array containing progress coordinates of one dimension and associated probailities - temp=temp[temp[:,0].argsort()] #Sort this by progress coordinate - for p in range(len(temp)): #This just deals with the fact that currently received probailities are in float32 (it is probably best to disregard probailities smaller than E-39 anyway for tagging - if temp[p][1]==0: - temp[p][1]=10**-39 - - fliptemp=flipud(temp) #Recived sorted array in opposite direction - difflist.append(0) #Provide starting minimum of 0 (in very unlikely case of pcoord 0 and no tagged this could cause arbitrary tag (very minor impact), work to fix) - flipdifflist.append(0) - maxdiff=0 - flipmaxdiff=0 - for i in range(1,len(temp)-1): #calculating of the "bottleneck" values, we need to sum all of the probability past a potential "bottleneck" - comprob=0 - flipcomprob=0 - j=i+1 - while jmincap[n]: - if (-log(comprob)+log(temp[i][1]))>maxdiff: #we want to find the point where the difference between the walker and the cumulative probability past it is at a maximum, we use logarithms to compare differences - difflist[n]=temp[i][0] - maxdiff=-log(comprob)+log(temp[i][1]) - - if fliptemp[i][0]mincap[n]: - if (-log(flipcomprob)+log(fliptemp[i][1]))>flipmaxdiff: - flipdifflist[n]=fliptemp[i][0] - flipmaxdiff=-log(flipcomprob)+log(fliptemp[i][1]) - - except: - splittingrelevant=False #if an error is thrown tagging of bottleneck walkers is not needed - - for i in range(len(output)): #this section deals with proper assignment of walkers to bins - binnumber=2*numberofdim #essentially the bin number - for n in range(numberofdim): - if (activetarget==1) and targetstate[n] is not None: - if ((originalcoords[i,0]*targetstatedirection[0]) >= (targetstate[0]*targetstatedirection[0]) and (originalcoords[i,1]*targetstatedirection[1]) >= (targetstate[1]*targetstatedirection[1])): #if the target state has been reached assign to following bin - binnumber=prod(binsperdim)+numberofdim*2 - if (binnumber==prod(binsperdim)+numberofdim*2): #this ends the loop if binned in target state, n= numberofdim should not go in above line because of elif statements - n=numberofdim - elif coords[i,n]>=maxlist[n] or originalcoords[i,n]>=maxcap[n]: #assign maxima or those over max cap to own bin - binnumber= 2*n - n=numberofdim - - elif coords[i,n]<=minlist[n] or originalcoords[i,n]<=mincap[n]: #assign minima or those under minima to own bin - binnumber =2*n+1 - n=numberofdim - - elif splittingrelevant and coords[i,n]==difflist[n] and splitIsolated==1: #assign bottleneck walker in one direction to bin - binnumber=prod(binsperdim)+numberofdim*2+2*n+activetarget - n=numberofdim - - elif splittingrelevant and coords[i,n]==flipdifflist[n] and splitIsolated==1: #assign bottleneck walker in other direction to bin - binnumber=prod(binsperdim)+numberofdim*2+2*n+activetarget+1 - n=numberofdim - - if binnumber==2*numberofdim: #calculate binning for evenly spaced bins - for j in range(numberofdim): - binnumber = binnumber + (digitize(coords[i][j],linspace(minlist[j],maxlist[j],binsperdim[j]+1))-1)*prod(binsperdim[0:j]) - - output[i]=binnumber - - return output - - -class System(WESTSystem): #class initialization - def initialize(self): - self.pcoord_ndim = numberofdim - self.pcoord_len = pcoordlength - self.pcoord_dtype = numpy.float32 - self.bin_mapper = FuncBinMapper(function_map, prod(binsperdim)+numberofdim*(2+2*splitIsolated)+activetarget) #Changed binsperbin to binsperdim - self.bin_target_counts = numpy.empty((self.bin_mapper.nbins,), numpy.int_) - self.bin_target_counts[...] = bintargetcount \ No newline at end of file diff --git a/aux_scripts/README.md b/aux_scripts/README.md index 6973b1c..7b47454 100644 --- a/aux_scripts/README.md +++ b/aux_scripts/README.md @@ -2,4 +2,4 @@ We include these scripts in the repository because they may be useful for some users. However, they will likely require some modification to work in your -environment, so we do not officially support them. \ No newline at end of file +environment, so we do not officially support them. diff --git a/aux_scripts/env-crc/GPU_BENCHMARKS.md b/aux_scripts/env-crc/GPU_BENCHMARKS.md index b6c5455..1aa0d18 100644 --- a/aux_scripts/env-crc/GPU_BENCHMARKS.md +++ b/aux_scripts/env-crc/GPU_BENCHMARKS.md @@ -10,16 +10,12 @@ Iteration wallclock: 0:01:27.062460, cputime: 0:15:35.214145 titan Iteration wallclock: 0:01:59.597528, cputime: 0:14:28.983004 - Notes ===== 4GPUs not better than 1. - MPI with CPU: USING export NAMD="$CHARMRUN +p$NPROC $NAMDBIN" Parallel: Iteration wallclock: 0:01:39.771639, cputime: 0:00:06.906532 - - diff --git a/aux_scripts/env-crc/gtx1080.sh b/aux_scripts/env-crc/gtx1080.sh deleted file mode 100644 index 62de348..0000000 --- a/aux_scripts/env-crc/gtx1080.sh +++ /dev/null @@ -1,21 +0,0 @@ -# Load the appropriate modules for mpi namd -module purge -module load namd/2.12b1-multicore-CUDA - -# Set up the NAMD environment variable for mpi namd -#KFW export NPROC=$(nproc) -export NPROC=12 -export NAMDBIN=$(which namd2) -export NAMD="$NAMDBIN +p$NPROC +idlepoll +setcpuaffinity" - -#KFW #export NAMD="$NAMDBIN +p$NPROC +idlepoll +setcpuaffinity" -#KFW export NAMD="$NAMDBIN +p12 +idlepoll +setcpuaffinity" - -# Useful note from Kim re. above line: -# Yes, strictly speaking the threads should be physical CPU cores/ GPUs but sometime you can over subscript the number of physical CPU cores and still get some benefit. You have to use trial and error to determine how much you can exceed the number of physical cores. - -# Set the work manager to processes. Strange because NAMD itself is -# multithreaded, but it runs faster when each multitheraded NAMD -# is run simultaneously in its own thread. -#export WORKMANAGER="processes" -export WORKMANAGER="serial" diff --git a/aux_scripts/env-crc/k40.sh b/aux_scripts/env-crc/k40.sh deleted file mode 100644 index 62de348..0000000 --- a/aux_scripts/env-crc/k40.sh +++ /dev/null @@ -1,21 +0,0 @@ -# Load the appropriate modules for mpi namd -module purge -module load namd/2.12b1-multicore-CUDA - -# Set up the NAMD environment variable for mpi namd -#KFW export NPROC=$(nproc) -export NPROC=12 -export NAMDBIN=$(which namd2) -export NAMD="$NAMDBIN +p$NPROC +idlepoll +setcpuaffinity" - -#KFW #export NAMD="$NAMDBIN +p$NPROC +idlepoll +setcpuaffinity" -#KFW export NAMD="$NAMDBIN +p12 +idlepoll +setcpuaffinity" - -# Useful note from Kim re. above line: -# Yes, strictly speaking the threads should be physical CPU cores/ GPUs but sometime you can over subscript the number of physical CPU cores and still get some benefit. You have to use trial and error to determine how much you can exceed the number of physical cores. - -# Set the work manager to processes. Strange because NAMD itself is -# multithreaded, but it runs faster when each multitheraded NAMD -# is run simultaneously in its own thread. -#export WORKMANAGER="processes" -export WORKMANAGER="serial" diff --git a/aux_scripts/env-crc/titan.sh b/aux_scripts/env-crc/titan.sh deleted file mode 100644 index 62de348..0000000 --- a/aux_scripts/env-crc/titan.sh +++ /dev/null @@ -1,21 +0,0 @@ -# Load the appropriate modules for mpi namd -module purge -module load namd/2.12b1-multicore-CUDA - -# Set up the NAMD environment variable for mpi namd -#KFW export NPROC=$(nproc) -export NPROC=12 -export NAMDBIN=$(which namd2) -export NAMD="$NAMDBIN +p$NPROC +idlepoll +setcpuaffinity" - -#KFW #export NAMD="$NAMDBIN +p$NPROC +idlepoll +setcpuaffinity" -#KFW export NAMD="$NAMDBIN +p12 +idlepoll +setcpuaffinity" - -# Useful note from Kim re. above line: -# Yes, strictly speaking the threads should be physical CPU cores/ GPUs but sometime you can over subscript the number of physical CPU cores and still get some benefit. You have to use trial and error to determine how much you can exceed the number of physical cores. - -# Set the work manager to processes. Strange because NAMD itself is -# multithreaded, but it runs faster when each multitheraded NAMD -# is run simultaneously in its own thread. -#export WORKMANAGER="processes" -export WORKMANAGER="serial" diff --git a/aux_scripts/run.slurm.gpu.sh b/aux_scripts/run.slurm.gpu.sh index dc81534..59092c0 100644 --- a/aux_scripts/run.slurm.gpu.sh +++ b/aux_scripts/run.slurm.gpu.sh @@ -23,7 +23,7 @@ source env.sh SERVER_INFO=$WEST_SIM_ROOT/west_zmq_info-$SLURM_JOBID.json -echo $WEST_PYTHON +echo $WEST_PYTHON #w_run --work-manager=serial --n-workers=0 &> ./job_logs/west-$SLURM_JOBID.log w_run --work-manager=serial &> ./job_logs/west-$SLURM_JOBID.log diff --git a/aux_scripts/run.slurm.sh b/aux_scripts/run.slurm.sh index eb8b174..33d384b 100644 --- a/aux_scripts/run.slurm.sh +++ b/aux_scripts/run.slurm.sh @@ -22,7 +22,7 @@ source env.sh SERVER_INFO=$WEST_SIM_ROOT/west_zmq_info-$SLURM_JOBID.json -echo $WEST_PYTHON +echo $WEST_PYTHON w_run --work-manager=zmq --n-workers=0 --zmq-mode=master --zmq-write-host-info=$SERVER_INFO --zmq-comm-mode=tcp &> ./job_logs/west-$SLURM_JOBID.log & diff --git a/bstates/bstates.txt b/bstates/bstates.txt deleted file mode 100644 index 3fd43ee..0000000 --- a/bstates/bstates.txt +++ /dev/null @@ -1 +0,0 @@ -0 1 first_conformer diff --git a/conda-lock.yml b/conda-lock.yml new file mode 100644 index 0000000..c2986d3 --- /dev/null +++ b/conda-lock.yml @@ -0,0 +1,4541 @@ +# This lock file was generated by conda-lock (https://github.com/conda/conda-lock). DO NOT EDIT! +# +# A "lock file" contains a concrete list of package versions (with checksums) to be installed. Unlike +# e.g. `conda env create`, the resulting environment will not change as new package versions become +# available, unless you explicitly update the lock file. +# +# Install this environment as "YOURENV" with: +# conda-lock install -n YOURENV conda-lock.yml +# To update a single package to the latest version compatible with the version constraints in the source: +# conda-lock lock --lockfile conda-lock.yml --update PACKAGE +# To re-solve the entire environment, e.g. after changing a version constraint in the source file: +# conda-lock -f environment.yml --lockfile conda-lock.yml +version: 1 +metadata: + content_hash: + linux-64: 699893047d9886982bd888d103bf6ec41e5a19d183bebf1bdd13101cc3a4b53b + osx-64: 32252499f779f1f0acb3c59c7ed0c88e5708b1f3bb4af608d4ff8ea88ddc9968 + win-64: 058b7e6289f128bb4af8ac828857e4658aaa9d4c9c18e5cf88e7c5830601a136 + channels: + - url: conda-forge + used_env_vars: [] + platforms: + - linux-64 + - osx-64 + - win-64 + sources: + - environment.yml +package: 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#333333; /* Code block background */ + + /* Code highlighting color shades */ + --md-code-hl-color: #aeaeff; + --md-code-hl-color--light: #aeaeff; + --md-code-hl-number-color: #ff9494; + --md-code-hl-special-color: #ffa0c0; + --md-code-hl-function-color: #f3adff; + --md-code-hl-constant-color: #bdaeff; + --md-code-hl-keyword-color: #a0c1ff; + --md-code-hl-string-color: #9fffcf; + --md-code-hl-name-color: #f5f5f5; + --md-code-hl-operator-color: #a6f0ff; + --md-code-hl-punctuation-color: #a6f0ff; + --md-code-hl-comment-color: #a6f0ff; + --md-code-hl-generic-color: #a6f0ff; + --md-code-hl-variable-color: #a6f0ff; + + /* Typeset color shades */ + --md-typeset-color: #ffffff; /* Main text color */ + + /* Typeset `a` color shades */ + --md-typeset-a-color: #01a0d7; /* Link color */ + + /* Typeset `table` color shades */ + --md-typeset-table-color: #a5a5a5; /* Outline color */ + --md-typeset-table-color--light: #343a40; /* Hover color */ + + /* Footer color shades */ + --md-footer-fg-color: #ffffff; /* ??? */ + --md-footer-fg-color--light: #e9ecef; /* Footer text */ + --md-footer-fg-color--lighter: #adb5bd; /* ??? */ + --md-footer-bg-color: #000000; + --md-footer-bg-color--dark: #171717; /* Footer background */ + + /* Accent color shades */ + --md-accent-fg-color: #90e0ef; /* Hover over link */ + --md-accent-fg-color--transparent: #6D6D6D; /* Hover over transparent (e.g., code with link) */ + --md-accent-bg-color: #ffffff; + --md-accent-bg-color--light: #e5e5e5; + + /* Admonition colors */ + --md-admonition-fg-color: #ffffff; + --md-admonition-bg-color: #212529; + +} diff --git a/docs/css/mkdocstrings.css b/docs/css/mkdocstrings.css new file mode 100644 index 0000000..8cae596 --- /dev/null +++ b/docs/css/mkdocstrings.css @@ -0,0 +1,27 @@ +/*Indentation.*/ +div.doc-contents:not(.first) { + padding-left: 35px; /*25px is the default*/ + border-left: .15rem solid #ededed; +} + +/*Mark external links as such. */ +a.external::after, +a.autorefs-external::after { + /* */ + mask-image: url('data:image/svg+xml,'); + -webkit-mask-image: url('data:image/svg+xml,'); + content: ' '; + + display: inline-block; + vertical-align: middle; + position: relative; + + height: 1em; + width: 1em; + background-color: var(--md-typeset-a-color); +} + +a.external:hover::after, +a.autorefs-external:hover::after { + background-color: var(--md-accent-fg-color); +} diff --git a/docs/gen_ref_pages.py b/docs/gen_ref_pages.py new file mode 100644 index 0000000..6275f7d --- /dev/null +++ b/docs/gen_ref_pages.py @@ -0,0 +1,36 @@ +"""Generate the code reference pages.""" + +import os +from pathlib import Path + +import mkdocs_gen_files + +SRC_DIR = "subpex" +WRITE_DIR = "api" + +for path in sorted(Path(SRC_DIR).rglob("*.py")): # + module_path = path.relative_to(SRC_DIR).with_suffix("") # + + doc_path = path.relative_to(SRC_DIR).with_suffix(".md") # + + if not os.path.exists(Path(WRITE_DIR)): + os.mkdir(Path(WRITE_DIR)) + + full_doc_path = Path(WRITE_DIR, doc_path) # + + parts = list(module_path.parts) + + if parts[-1] == "__init__": # + parts = parts[:-1] + elif parts[-1] == "__main__": + continue + + if len(parts) == 0: + continue + + with mkdocs_gen_files.open(full_doc_path, "w") as fd: # + identifier = ".".join(parts) # + + print("::: " + identifier, file=fd) # + + mkdocs_gen_files.set_edit_path(full_doc_path, path) # diff --git a/docs/index.md b/docs/index.md new file mode 100644 index 0000000..612c7a5 --- /dev/null +++ b/docs/index.md @@ -0,0 +1 @@ +--8<-- "README.md" diff --git a/docs/js/mathjax-config.js b/docs/js/mathjax-config.js new file mode 100644 index 0000000..9c928df --- /dev/null +++ b/docs/js/mathjax-config.js @@ -0,0 +1,19 @@ +window.MathJax = { + tex: { + inlineMath: [["\\(", "\\)"]], + displayMath: [["\\[", "\\]"]], + processEscapes: true, + processEnvironments: true + }, + options: { + ignoreHtmlClass: ".*|", + processHtmlClass: "arithmatex" + } + }; + +document$.subscribe(() => { + MathJax.startup.output.clearCache() + MathJax.typesetClear() + MathJax.texReset() + MathJax.typesetPromise() +}) diff --git a/environment.yaml b/environment.yaml deleted file mode 100644 index e07b39b..0000000 --- a/environment.yaml +++ /dev/null @@ -1,109 +0,0 @@ -name: westpa -channels: - - conda-forge - - omnia - - defaults -dependencies: - - _libgcc_mutex=0.1=conda_forge - - _openmp_mutex=4.5=1_gnu - - backcall=0.2.0=pyh9f0ad1d_0 - - backports=1.0=py_2 - - backports.functools_lru_cache=1.6.1=py_0 - - biopython=1.78=py38h497a2fe_1 - - blessings=1.7=py38h578d9bd_1004 - - bzip2=1.0.8=h7f98852_4 - - c-ares=1.17.1=h36c2ea0_0 - - ca-certificates=2020.12.5=ha878542_0 - - certifi=2020.12.5=py38h578d9bd_1 - - cftime=1.4.1=py38h5c078b8_0 - - curl=7.71.1=he644dc0_8 - - cycler=0.10.0=py_2 - - decorator=4.4.2=py_0 - - freetype=2.10.4=h0708190_1 - - griddataformats=0.5.0=py_0 - - gsd=2.4.0=py38h5c078b8_0 - - h5py=2.10.0=nompi_py38h7442b35_105 - - hdf4=4.2.13=h10796ff_1004 - - hdf5=1.10.6=nompi_h6a2412b_1114 - - ipykernel=5.4.3=py38h81c977d_0 - - ipython=7.20.0=py38h81c977d_2 - - ipython_genutils=0.2.0=py_1 - - jedi=0.18.0=py38h578d9bd_2 - - joblib=1.0.0=pyhd8ed1ab_0 - - jpeg=9d=h36c2ea0_0 - - jupyter_client=6.1.11=pyhd8ed1ab_1 - - jupyter_core=4.7.1=py38h578d9bd_0 - - kiwisolver=1.3.1=py38h1fd1430_1 - - krb5=1.17.2=h926e7f8_0 - - lcms2=2.12=hddcbb42_0 - - ld_impl_linux-64=2.35.1=hea4e1c9_2 - - libblas=3.9.0=8_openblas - - libcblas=3.9.0=8_openblas - - libcurl=7.71.1=hcdd3856_8 - - libedit=3.1.20191231=he28a2e2_2 - - libev=4.33=h516909a_1 - - libffi=3.3=h58526e2_2 - - libgcc-ng=9.3.0=h2828fa1_18 - - libgfortran-ng=9.3.0=hff62375_18 - - libgfortran5=9.3.0=hff62375_18 - - libgomp=9.3.0=h2828fa1_18 - - liblapack=3.9.0=8_openblas - - libnetcdf=4.7.4=nompi_h56d31a8_107 - - libnghttp2=1.43.0=h812cca2_0 - - libopenblas=0.3.12=pthreads_h4812303_1 - - libpng=1.6.37=h21135ba_2 - - libsodium=1.0.18=h36c2ea0_1 - - libssh2=1.9.0=hab1572f_5 - - libstdcxx-ng=9.3.0=h6de172a_18 - - libtiff=4.2.0=hdc55705_0 - - libwebp-base=1.2.0=h7f98852_0 - - lz4-c=1.9.3=h9c3ff4c_0 - - matplotlib-base=3.3.4=py38h0efea84_0 - - mdanalysis=1.0.0=py38h709712a_2 - - mmtf-python=1.1.2=py_0 - - msgpack-python=1.0.2=py38h1fd1430_1 - - ncurses=6.2=h58526e2_4 - - netcdf4=1.5.5.1=nompi_py38h1cdf482_101 - - networkx=2.5=py_0 - - numpy=1.20.0=py38h18fd61f_0 - - olefile=0.46=pyh9f0ad1d_1 - - openssl=1.1.1i=h7f98852_0 - - pandas=1.2.1=py38h51da96c_0 - - parso=0.8.1=pyhd8ed1ab_0 - - patsy=0.5.1=py_0 - - pexpect=4.8.0=pyh9f0ad1d_2 - - pickleshare=0.7.5=py_1003 - - pillow=8.1.0=py38ha0e1e83_2 - - pip=21.0.1=pyhd8ed1ab_0 - - prompt-toolkit=3.0.14=pyha770c72_0 - - ptyprocess=0.7.0=pyhd3deb0d_0 - - pygments=2.7.4=pyhd8ed1ab_0 - - pyparsing=2.4.7=pyh9f0ad1d_0 - - python=3.8.6=hffdb5ce_5_cpython - - python-dateutil=2.8.1=py_0 - - python_abi=3.8=1_cp38 - - pytz=2021.1=pyhd8ed1ab_0 - - pyyaml=5.3.1=py38h497a2fe_2 - - pyzmq=19.0.2=py38ha71036d_2 - - readline=8.0=he28a2e2_2 - - scikit-learn=0.24.1=py38h658cfdd_0 - - scipy=1.6.0=py38hb2138dd_0 - - seaborn=0.11.1=hd8ed1ab_1 - - seaborn-base=0.11.1=pyhd8ed1ab_1 - - setuptools=49.6.0=py38h578d9bd_3 - - six=1.15.0=pyh9f0ad1d_0 - - sqlite=3.34.0=h74cdb3f_0 - - statsmodels=0.12.2=py38h5c078b8_0 - - threadpoolctl=2.1.0=pyh5ca1d4c_0 - - tk=8.6.10=h21135ba_1 - - tornado=6.1=py38h497a2fe_1 - - tqdm=4.56.0=pyhd8ed1ab_0 - - traitlets=5.0.5=py_0 - - wcwidth=0.2.5=pyh9f0ad1d_2 - - westpa=2020.03=py38h1e0a361_1 - - wheel=0.36.2=pyhd3deb0d_0 - - xz=5.2.5=h516909a_1 - - yaml=0.2.5=h516909a_0 - - zeromq=4.3.4=h9c3ff4c_0 - - zlib=1.2.11=h516909a_1010 - - zstd=1.4.8=ha95c52a_1 diff --git a/environment.yml b/environment.yml new file mode 100644 index 0000000..fb8e705 --- /dev/null +++ b/environment.yml @@ -0,0 +1,11 @@ +name: subpex-dev +channels: + - conda-forge + - defaults +dependencies: + - python=3.12 + - conda-lock + - poetry + - pre-commit + - conda-poetry-liaison + - nodejs diff --git a/git_diff.sh b/git_diff.sh deleted file mode 100755 index c37e80d..0000000 --- a/git_diff.sh +++ /dev/null @@ -1 +0,0 @@ -git difftool --tool=vimdiff diff --git a/init.sh b/init.sh index c1be4b4..5cb85cb 100755 --- a/init.sh +++ b/init.sh @@ -3,7 +3,7 @@ # init.sh # # Initialize the WESTPA simulation, creating initial states (istates) and the -# main WESTPA data file, west.h5. +# main WESTPA data file, west.h5. # # If you run this script after starting the simulation, the data you generated # will be erased! @@ -11,15 +11,15 @@ source env.sh -# Make sure that WESTPA is not already running. Running two instances of +# Make sure that WESTPA is not already running. Running two instances of # WESTPA on a single node/machine can cause problems. # The following line will kill any WESTPA process that is currently running. pkill -9 -f w_run # Make sure that seg_logs (log files for each westpa segment), traj_segs (data # from each trajectory segment), and istates (initial states for starting new -# trajectories) directories exist and are empty. -rm -rf traj_segs seg_logs istates west.h5 +# trajectories) directories exist and are empty. +rm -rf traj_segs seg_logs istates west.h5 mkdir -p seg_logs traj_segs istates job_logs # Copy over the equilibrated conformation from ./prep to bstates/unbound, @@ -30,12 +30,12 @@ mkdir -p bstates/first_conformer # Define the arguments for the basis states (used for generating initial # states; in this case we only have one), and target states (used for # knowing when to recycle trajectories). In this example, we recycle -# trajectories as they reach the bound state; we focus on sampling +# trajectories as they reach the bound state; we focus on sampling # the binding process (and not the unbinding process). BSTATE_ARGS="--bstate-file bstates/bstates.txt" # In this case we are not recycling walkers so no TSTATE is necessary -#TSTATE_ARGS="--tstate bound,1.0" +#TSTATE_ARGS="--tstate bound,1.0" # Initialize the simulation, creating the main WESTPA data file (west.h5) # The "$@" lets us take any arguments that were passed to init.sh at the @@ -46,4 +46,4 @@ $WEST_ROOT/bin/w_init \ --segs-per-state 4 \ --work-manager=$WORKMANAGER "$@" -rm -f binbounds.txt \ No newline at end of file +rm -f binbounds.txt diff --git a/mkdocs.yml b/mkdocs.yml new file mode 100644 index 0000000..58818f3 --- /dev/null +++ b/mkdocs.yml @@ -0,0 +1,134 @@ +docs_dir: docs + +site_name: subpex +site_author: durrantlab + +# Git host +repo_name: durrantlab/subpex +repo_url: https://github.com/durrantlab/subpex + +# https://squidfunk.github.io/mkdocs-material/ +theme: + name: material + custom_dir: docs/.overrides + language: en + palette: + # Palette toggle for light mode + - scheme: default + toggle: + icon: material/lightbulb-outline + name: Switch to dark mode + + # Palette toggle for dark mode + - scheme: dark + toggle: + icon: material/lightbulb + name: Switch to light mode + font: + text: Roboto + code: Roboto Mono + icon: + repo: fontawesome/brands/github + annotation: material/star-four-points-circle + features: + - content.code.annotate + - content.code.copy + - content.code.select + # - navigation.instant + # - navigation.instant.prefetch + # - navigation.instant.progress + - navigation.tabs + - navigation.tabs.sticky + - navigation.tracking + - navigation.top + - navigation.indexes + - navigation.path + - navigation.prune + - toc.follow + - search.suggest + +validation: + omitted_files: warn + absolute_links: warn + unrecognized_links: warn + +# Options need to be indented twice for some reason? +plugins: + - search + - autorefs + - material-plausible + - table-reader + - gen-files: + scripts: + - docs/gen_ref_pages.py + - mkdocstrings: + handlers: + python: + paths: ["subpex"] + import: + - https://docs.python.org/3/objects.inv + options: + show_source: false + show_root_heading: false + annotations_path: brief + docstring_style: google + merge_init_into_class: true + docstring_section_style: spacy + show_if_no_docstring: true + - awesome-pages: + collapse_single_pages: true + strict: false + order: asc + sort_type: natural + order_by: title + +extra: + generator: false + +extra_css: + - css/base.css + - css/colors.css + - css/mkdocstrings.css + +extra_javascript: + - js/mathjax-config.js + - https://polyfill.io/v3/polyfill.min.js?features=es6 + - https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js + +markdown_extensions: + - abbr + - toc: + permalink: true + - admonition + - attr_list + - def_list + - footnotes + - md_in_html + - tables + - pymdownx.arithmatex: + generic: true + - pymdownx.betterem + - pymdownx.caret + - pymdownx.details + - pymdownx.highlight: + anchor_linenums: true + line_spans: __span + pygments_lang_class: true + - pymdownx.inlinehilite + - pymdownx.keys + - pymdownx.mark + - pymdownx.smartsymbols + - pymdownx.snippets + - pymdownx.superfences: + custom_fences: + - name: mermaid + class: mermaid + format: !!python/name:pymdownx.superfences.fence_code_format + - pymdownx.tabbed: + alternate_style: true + - pymdownx.tasklist: + custom_checkbox: true + - pymdownx.tilde + - pymdownx.emoji: + emoji_index: !!python/name:material.extensions.emoji.twemoji + emoji_generator: !!python/name:material.extensions.emoji.to_svg diff --git a/node.sh b/node.sh index 42d1999..65f4236 100755 --- a/node.sh +++ b/node.sh @@ -17,4 +17,3 @@ env | sort $WEST_ROOT/bin/w_run "$@" &> west-$SLURM_NODENAME-node.log echo "Shutting down. 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"^2.1.0" +click = "^8.1.7" +click-default-group = "^1.2.4" +clikit = "^0.6.2" +colorama = "^0.4.6" +conda_lock = "^2.5.7" +conda_poetry_liaison = "^0.1.2" +crashtest = "^0.4.1" +cryptography = "^42.0.7" +distlib = "^0.3.8" +dulwich = "^0.21.7" +ensureconda = "^1.4.4" +fastjsonschema = "^2.19.1" +filelock = "^3.14.0" +gitdb = "^4.0.11" +GitPython = "^3.1.43" +html5lib = "^1.1" +identify = "^2.5.36" +idna = "^3.7" +importlib_metadata = "^7.1.0" +importlib_resources = "^6.4.0" +installer = "^0.7.0" +"jaraco.classes" = "^3.4.0" +"jaraco.context" = "^5.3.0" +"jaraco.functools" = "^4.0.0" +jeepney = "^0.8.0" +Jinja2 = "^3.1.4" +keyring = "^24.3.1" +MarkupSafe = "^2.1.5" +more-itertools = "^10.2.0" +msgpack = "^1.0.7" +nodeenv = "^1.8.0" +numpy = "^1.26.4" +packaging = "^24.0" +pastel = "^0.2.1" +pexpect = "^4.9.0" +pip = "^24.0" +pkginfo = "^1.10.0" +platformdirs = "^4.2.1" +poetry = "^1.8.3" +poetry-core = "^1.9.0" +poetry-plugin-export = "^1.8.0" +pre_commit = "^3.7.1" +ptyprocess = "^0.7.0" +pycparser = "^2.22" +pydantic = "^2.7.1" +pydantic_core = "^2.18.2" +pylev = "^1.4.0" +pyproject_hooks = "^1.1.0" +PySocks = "^1.7.1" +PyYAML = "^6.0.1" +rapidfuzz = "^3.9.0" +requests = "^2.31.0" +requests-toolbelt = "^1.0.0" +"ruamel.yaml" = "^0.18.6" +"ruamel.yaml.clib" = "^0.2.8" +SecretStorage = "^3.3.3" +setuptools = "^69.5.1" +shellingham = "^1.5.4" +six = "^1.16.0" +smmap = "^5.0.0" +tomli = "^2.0.1" +tomli_w = "^1.0.0" +tomlkit = "^0.12.5" +toolz = "^0.12.1" +trove-classifiers = "^2024.4.10" +typing_extensions = "^4.11.0" +ukkonen = "^1.0.1" +urllib3 = "^1.26.18" +virtualenv = "^20.26.1" +webencodings = "^0.5.1" +wheel = "^0.43.0" +zipp = "^3.17.0" diff --git a/reference/amber.prod_npt.in b/reference/amber.prod_npt.in deleted file mode 100644 index 6277cf0..0000000 --- a/reference/amber.prod_npt.in +++ /dev/null @@ -1,29 +0,0 @@ -250 ns unrestrained NPT equilibration using Langevin thermostat and MC barostat -&cntrl - irest = 1, ! flag to restart sim - ntx = 5, ! option to read initial coords and vel - ig = RAND, ! Random number generator - dt = 0.002, ! timestep - nstlim = 10000, ! Number of MD-steps to be performed - nscm = 500, ! For Langevin dynamics, the position of the center-of-mass of the molecule is reset to zero. - ntr = 0, ! Flag for restraining - ntb = 2, ! periodic boundaries 1=cteV 2=cteP - ntp = 1, ! Flag for constant pressure dynamics. - barostat = 2, ! control barostat. 1=brendensen 2=montecarlo - pres0 = 1.01325, ! reference pressure - mcbarint = 100, ! Number of steps between volume change attempts performed as part of the Monte Carlo barostat. - comp = 44.6, ! compressibility of the system. This value is fine for water systems - taup = 1.0, ! Pressure relaxation time (in ps), when NTP not 0. larger than 1 if unstable. - ntt = 3, ! Switch for temperature scaling - temp0 = 310.0, ! final temp - gamma_ln = 5.0, ! collision frequency - ntf = 2, ! force evaluation - ntc = 2, ! SHAKE algorithm, 1 = no shake, 2 = hydrogen, 3 = all atoms - cut = 10.0, ! non-bonded cutoff - ntpr = 500, ! out file write frequency - ntxo = 2, ! format of coordinate file - ntwr = 5000, ! restart file write frequency - ioutfm = 1, ! The format of coordinate and velocity trajectory files - ntwx = 5000, ! coordinate file write frequency - iwrap = 1, ! trajectory files will be "wrapped" into a primary -&end diff --git a/reference/namd.md.conf b/reference/namd.md.conf deleted file mode 100644 index e718193..0000000 --- a/reference/namd.md.conf +++ /dev/null @@ -1,84 +0,0 @@ -# Sources -# https://link.springer.com/content/pdf/10.1007%2F978-1-4939-3179-8_40.pdf -# http://www.ks.uiuc.edu/Research/namd/2.9/ug/node13.html - - -# Input and output -set parent parent -set structure structure -set seg seg -firsttimestep 0 - -BinCoordinates $parent.coor # -BinVelocities $parent.vel # So starting over now with velocities. -ExtendedSystem $parent.xsc # - - - -# Force Field Parameters # Force Field Parameters -amber on # -parmfile $structure.prmtop # -ambercoor $structure.inpcrd # -readexclusions yes # Read Exclusions Parmfile: 1-4 van der Waals Interations -exclude scaled1-4 # In 1-2-3-4 structure for 1, ignore atoms 2&3, weaken atom 4. -1-4scaling 0.833333 # =1/1.2, Electrostatic 1-4 Interactions, default=1.0 -scnb 2.0 # Default - -Switching on # Smooth Nonbonded to 0 at Cutoff Distance -cutoff 14. # Cutoff Distance (A) for nonbond (Electrostatic and van der Waals) interactions -switchdist 12 # Distance (A, cutoff - 2) for switching function to begin to go to 0 -pairlistdist 16. # Search space for non-bonded interactions. Atoms move <2A pr cycle (cutoff + 2) -margin 1.0 # - -# PME (Periodic electrostatics) -PME yes -PMEGridSizeX 90 -PMEGridSizeY 60 -PMEGridSizeZ 60 -FullElectFrequency 2 - -# Wrap periodic cells -wrapWater on # Wrap water to central cell -wrapAll on # Wrap other molecules too -wrapNearest on - -# Specify steps pr pairlistcycle -# Integrator Parameters -timestep 2.0 # 2fs/step - -# Constant Temperature Control -nonbondedFreq 2 -langevin on # don't do langevin dynamics in min. -langevinTemp 310.00 # bath temperature -langevinDamping 5 # damping coefficient (gamma) in ps^-1 -langevinHydrogen no # don't couple langevin bath to hydrogens -stepspercycle 20 # Redo pairlists every 20 timesteps -seed RAND # Use a random seed from WESTPA - -# Pressure Control for NPT ensemble -useFlexibleCell no -langevinPiston on -langevinPistonTarget 1.01325 # in bar -> 1 atm -langevinPistonPeriod 100 -langevinPistonDecay 50 -langevinPistonTemp 310 - -rigidbonds all # Which Hydrogen Bonds aren't considered vibration -rigidTolerance 0.0005 - -xstFile $seg.xst -xstFreq 10000 -outputname $seg -dcdfile $seg.dcd -restartname $seg.restart -restartfreq 5000 -dcdfreq 5000 -binaryoutput yes -outputEnergies 500 - - -# Run # Overrides Numsteps timestep*run = time -run 10000 - - - diff --git a/run.sh b/run.sh index e38e7fd..32eb773 100755 --- a/run.sh +++ b/run.sh @@ -10,5 +10,3 @@ source env.sh rm -f west.log $WEST_ROOT/bin/w_run --work-manager $WORKMANAGER "$@" &> west.log - - diff --git a/subpex/__init__.py b/subpex/__init__.py new file mode 100644 index 0000000..448fe97 --- /dev/null +++ b/subpex/__init__.py @@ -0,0 +1,46 @@ +import os +import sys +from ast import literal_eval + +from loguru import logger + +DIR_TEMPLATE = os.path.join(os.path.dirname(__file__), "templates/") + +logger.disable("subpex") + +LOG_FORMAT = ( + "{time:HH:mm:ss} | " + "{level: <8} | " + "{name}:{function}:{line} - {message}" +) + + +def enable_logging( + level_set: int, stdout_set: bool = True, file_path: str | None = None +) -> None: + r"""Enable logging. + + Args: + level: Requested log level: `10` is debug, `20` is info. + file_path: Also write logs to files here. + """ + config = {"handlers": []} + if stdout_set: + config["handlers"].append( + {"sink": sys.stdout, "level": level_set, "format": LOG_FORMAT} + ) + if isinstance(file_path, str): + config["handlers"].append( + {"sink": file_path, "level": level_set, "format": LOG_FORMAT} + ) + # https://loguru.readthedocs.io/en/stable/api/logger.html#loguru._logger.Logger.configure + logger.configure(**config) + + logger.enable("subpex") + + +if literal_eval(os.environ.get("SUBPEX_LOG", "False")): + level = int(os.environ.get("SUBPEX_LOG_LEVEL", 20)) + stdout = literal_eval(os.environ.get("SUBPEX_STDOUT", "True")) + log_file_path = os.environ.get("SUBPEX_LOG_FILE_PATH", None) + enable_logging(level, stdout, log_file_path) diff --git a/subpex/configs/__init__.py b/subpex/configs/__init__.py new file mode 100644 index 0000000..6f5fc18 --- /dev/null +++ b/subpex/configs/__init__.py @@ -0,0 +1,4 @@ +from .subpex.main import SubpexConfig +from .westpa.main import WestpaConfig + +__all__ = ["SubpexConfig", "WestpaConfig"] diff --git a/subpex/configs/io.py b/subpex/configs/io.py new file mode 100644 index 0000000..cb8fb86 --- /dev/null +++ b/subpex/configs/io.py @@ -0,0 +1,37 @@ +from collections.abc import Sequence + +import yaml + + +class YamlIO: + + def from_yaml(self, yaml_paths: str | Sequence[str]) -> None: + """Update the instance's attributes from one or more YAML files. + + Args: + yaml_paths: A sequence of YAML file paths or a single YAML file path. + + Raises: + FileNotFoundError: If any of the YAML files cannot be found. + """ + if isinstance(yaml_paths, str): + yaml_paths = [yaml_paths] + for yaml_path in yaml_paths: + with open(yaml_path, "r") as f: + yaml_data = yaml.safe_load(f) + for key, value in yaml_data.items(): + if key in self.__fields__: # type: ignore + setattr(self, key, value) + + def to_yaml(self, file_path: str) -> None: + """Serialize a Pydantic BaseModel instance to a YAML file. + + Args: + file_path: Path to the YAML file to write the serialized data to. + + Raises: + IOError: If the file cannot be written to. + """ + config_dict = self.dict() # type: ignore + with open(file_path, "w") as f: + yaml.dump(config_dict, f, default_flow_style=False) diff --git a/subpex/configs/slurm.py b/subpex/configs/slurm.py new file mode 100644 index 0000000..05b5de9 --- /dev/null +++ b/subpex/configs/slurm.py @@ -0,0 +1,122 @@ +from collections.abc import MutableMapping, Sequence + +from pydantic import BaseModel + + +class SlurmConfig(BaseModel): + """Context manager for Slurm job submission scripts. + + This class provides a structured way to define and manage the configuration for + submitting jobs to a Slurm workload manager. Each attribute corresponds to a + specific Slurm configuration parameter or job setup step. + """ + + job_name: str = "subpex_job" + """Unique name for the Slurm job. + + This should be descriptive to help identify the job among many others in the queue. + Example: "data_analysis_job" + """ + + nodes: int = 1 + """Number of nodes to use for the Slurm job. + + Adjust this based on the job's resource requirements. For instance, a large parallel + job might need several nodes, while a smaller job might only need one. + Example: 4 + """ + + ntasks_per_node: int = 8 + """Number of tasks to run per node. + + This typically corresponds to the number of CPU cores to use on each node. Adjust this + based on the node's capabilities and the parallelism of your job. + Example: 16 + """ + + output_path: str = "slurm-%j.out" + """Path for the job's standard output file. + + Use `%j` to include the job ID in the filename, ensuring that each job's output is + saved to a unique file. + Example: "logs/job_output_%j.out" + """ + + error_path: str = "slurm-%j.err" + """Path for the job's error output file. + + Similar to `output_path`, using `%j` in the filename ensures that errors for each job + are logged separately. + Example: "logs/job_errors_%j.err" + """ + + time: str = "1-00:00:00" + """Maximum time for the job. + + Specified in the format `D-HH:MM:SS`. Adjust this based on the expected runtime of your job. + Example: "0-12:00:00" for a 12-hour job. + """ + + cluster: str = "smp" + """Cluster name where the job will run. + + Ensure this matches the available cluster names in your Slurm environment. This helps + direct the job to the appropriate set of resources. + Example: "hpc_cluster" + """ + + partition: str = "smp" + """Partition name to submit the job to. + + Choose an appropriate partition based on resource needs and availability. Partitions + can have different resource limits and policies. + Example: "short" + """ + + account: str | None = None + """Account name for job submission. + + Set this to your project's account name to properly attribute resource usage, or leave + it as None if not needed. + Example: "research_project_123" + """ + + modules: Sequence[str] = [] + """List of modules to load before running the job. + + Include all necessary software modules that your job requires. This ensures the + environment is correctly set up before execution. + Example: ["python/3.8", "gcc/9.2"] + """ + + env_vars: MutableMapping[str, str] = {} + """Dictionary of environment variables to set before running the job. + + Use this to configure the job's environment, setting any necessary environment + variables. + Example: {"OMP_NUM_THREADS": "16", "MY_VARIABLE": "value"} + """ + + commands_pre: Sequence[str] = [] + """List of commands to run before the main job command. + + Useful for setup tasks like copying files, creating directories, or loading + additional software. These commands will be executed before the main job starts. + Example: ["mkdir -p /scratch/my_job", "cp input.dat /scratch/my_job/"] + """ + + commands_run: Sequence[str] = [] + """List of main commands to run for the job. + + This should include the primary executable or script for the job. These are the + main tasks that the job will perform. + Example: ["python my_script.py", "./run_simulation.sh"] + """ + + commands_post: Sequence[str] = [] + """List of commands to run after the main job command. + + Use this for cleanup tasks or additional processing. These commands will be executed + after the main job tasks are completed. + Example: ["cp /scratch/my_job/output.dat .", "rm -rf /scratch/my_job"] + """ diff --git a/subpex/configs/subpex/__init__.py b/subpex/configs/subpex/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/subpex/configs/subpex/cluster.py b/subpex/configs/subpex/cluster.py new file mode 100644 index 0000000..a379dac --- /dev/null +++ b/subpex/configs/subpex/cluster.py @@ -0,0 +1,24 @@ +from pydantic import BaseModel, Field + + +class ClusteringConfig(BaseModel): + + clustering_engine: str = Field(default="cpptraj") + """Clustering engine to use. `cpptraj` is the only option at the moment. + """ + n_clusters: int = Field(default=25) + """Number of independent clusters to identify.""" + min_n_clusters_gen_bin: int = Field(default=3) + """TODO:""" + max_n_clusters_gen_bin: int = Field(default=25) + """TODO:""" + clustering_region: str = Field(default="pocket") + """Region to separate into clusters. This can be `pocket` or `backbone`.""" + clustering_method: str = Field(default="hierarchical") + """TODO:""" + cluster_generation: bool = Field(default=True) + """TODO:""" + cluster_bin: bool = Field(default=False) + """TODO:""" + plot_n_walkers: bool = Field(default=False) + """TODO:""" diff --git a/subpex/configs/subpex/data.py b/subpex/configs/subpex/data.py new file mode 100644 index 0000000..a53f642 --- /dev/null +++ b/subpex/configs/subpex/data.py @@ -0,0 +1,120 @@ +from typing import Any, Generator + +from collections.abc import Callable, MutableSequence + +import MDAnalysis as mda +from pydantic import BaseModel, Field, computed_field + +from ...pocket.compute import ( + get_pocket_jaccard_convenience, + get_pocket_rmsd_convenience, + get_pocket_rog_convenience, + get_pocket_volume_convenience, +) +from ...protein.compute import get_backbone_rmsd + + +class AuxData(BaseModel): + label: str + """Label used for any data structures or file names.""" + active: bool = Field(default=False) + """If this data should be calculated and monitored during simulations or analyzed.""" + progress: bool = Field(default=False) + """If this auxillary data should be used for a progress coordinate""" + values: MutableSequence[float | MutableSequence[float]] = Field( + default=[], exclude=True + ) + """Data values.""" + f_ext: str = Field(default="txt") + """File extension if saving.""" + write: bool = Field(default=False) + """Flag to write file containing data.""" + compute_function: Callable[[Any], float | MutableSequence[float]] = Field( + default=None, exclude=True + ) + """Function to compute the descriptor value.""" + + def compute_frame( # type: ignore + self, + atoms_frame: mda.AtomGroup, + subpex_config, + atoms_ref: mda.AtomGroup | None = None, + *args: Any, + **kwargs: Any + ) -> None: + """Will use `compute_function` to compute and then append the value to + `values`. + """ + if self.compute_function is not None: + result = self.compute_function( # type: ignore + atoms_frame, subpex_config, atoms_ref, *args, **kwargs + ) + self.values.append(result) + + @computed_field # type: ignore[misc] + @property + def file_name(self) -> str: + return self.label + "." + self.f_ext + + +class ContainerAuxData(BaseModel): + + pocket_volume: AuxData = Field( + default_factory=lambda: AuxData( + label="pocket_volume", compute_function=get_pocket_volume_convenience # type: ignore + ) + ) + pocket_rog: AuxData = Field( + default_factory=lambda: AuxData( + label="pocket_rog", compute_function=get_pocket_rog_convenience # type: ignore + ) + ) + pocket_rmsd: AuxData = Field( + default_factory=lambda: AuxData( + label="pocket_rmsd", compute_function=get_pocket_rmsd_convenience # type: ignore + ) + ) + pocket_jd: AuxData = Field( + default_factory=lambda: AuxData( + label="pocket_jd", compute_function=get_pocket_jaccard_convenience # type: ignore + ) + ) + backbone_rmsd: AuxData = Field( + default_factory=lambda: AuxData( + label="backbone_rmsd", compute_function=get_backbone_rmsd # type: ignore + ) + ) + + def get_all(self) -> Generator[AuxData, None, None]: + """Yields each attribute of type AuxData.""" + for attribute in self.__annotations__: + value = getattr(self, attribute) + if isinstance(value, AuxData): + yield value + + def get_active(self) -> Generator[AuxData, None, None]: + """Yields each attribute of type AuxData.""" + for value in self.get_all(): + if value.active: + yield value + + +class DataConfig(BaseModel): + + aux: ContainerAuxData = Field(default_factory=ContainerAuxData) + + write_dir: str = Field(default="") + """Where to write any auxillary data that has `write` as `True`""" + + composite_sigma: float | None = Field(default=None) + """Sigma to use for composite progress coordinate. If `None`, this defaults + to + + ```python + sigma = ( + 1 + - len(reference.select_atoms(selection_alignment)) + / len(reference.select_atoms("backbone")) + ) / 2 + ``` + """ diff --git a/subpex/configs/subpex/main.py b/subpex/configs/subpex/main.py new file mode 100644 index 0000000..e019305 --- /dev/null +++ b/subpex/configs/subpex/main.py @@ -0,0 +1,22 @@ +from pydantic import Field +from pydantic_settings import BaseSettings + +from ..io import YamlIO +from .cluster import ClusteringConfig +from .data import DataConfig +from .pocket import PocketConfig + + +class SubpexConfig(BaseSettings, YamlIO): + restart: bool = Field(default=False) + """Restart a subpex simulation if directly already exists.""" + md_engine: str = Field(default="amber") + """Molecular dynamics engine to use. Both `amber` and `namd` are supported.""" + calculated_points: int = Field(default=-1) + """Number of point to calculate per trajectory segment. If `-1`, it will + calculate all. + """ + + pocket: PocketConfig = Field(default_factory=PocketConfig) + data: DataConfig = Field(default_factory=DataConfig) + clustering: ClusteringConfig = Field(default_factory=ClusteringConfig) diff --git a/subpex/configs/subpex/pocket.py b/subpex/configs/subpex/pocket.py new file mode 100644 index 0000000..7992e2c --- /dev/null +++ b/subpex/configs/subpex/pocket.py @@ -0,0 +1,40 @@ +from collections.abc import Sequence + +from pydantic import BaseModel, Field + + +class PocketConfig(BaseModel): + """Contexts for progress coordinate.""" + + selection_mda_str: str | None = Field(default=None) + """MDAnalysis atom selection string for pocket. + """ + water_dist: float | None = Field(default=6.7) + """If water molecules are captured in the pocket, protein residues are only + included if they are within this distance of water molecules. + + This simple algorithm attempts to identify surface residues and filter buried + residues from the pocket. + """ + selection_append: str | None = "and protein and (not name H*)" + """String to append to pocket selection if desired.""" + selection_resids: Sequence[int] | None = Field(default=None) + """Residue IDs to form the pocket. + """ + selection_str: str | None = Field(default=None) + """Final pocket selection string.""" + center: Sequence[float] | None = Field(default=None) + """The pocket center XYZ coordinates.""" + radius: float = Field(default=10.0) + """Pocket radius to consider.""" + resolution: float = Field(default=0.5) + """Resolution for the FOP points.""" + selection_write: str | None = Field(default=None) + """Path to write a pocket selection string text file. If `None`, then no file + is written. + """ + ref_fop_write: str | None = "fop_ref.xyz" + """Path to write the reference field of points.""" + ref_pdb_path: str | None = None + """Path to a PDB file to use as a reference to compute the progress coordinate. + """ diff --git a/subpex/configs/westpa/__init__.py b/subpex/configs/westpa/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/subpex/configs/westpa/cli.py b/subpex/configs/westpa/cli.py new file mode 100644 index 0000000..b192161 --- /dev/null +++ b/subpex/configs/westpa/cli.py @@ -0,0 +1,83 @@ +import argparse +import os +from collections.abc import Sequence + +from loguru import logger + +from .main import WestpaConfig + + +def run_westpa_config( + file_name: str = "west.cfg", + save_dir: str | None = None, + yaml_paths: Sequence[str] | None = None, +) -> None: + """ + Create, update, and save a WESTPA configuration file. + + Args: + file_name: The name of the output configuration file. + save_dir: The directory where the configuration file will be saved. If `None`, + the current directory is used. + yaml_paths: A list of paths to YAML files from which to update the + configuration. If None, no updates are made. + + Returns: + -------- + None + """ + logger.debug("Initializing default WestpaConfig instance.") + westpa_config = WestpaConfig() + + if yaml_paths: + logger.debug("Updating parameters from YAML files.") + westpa_config.from_yaml(yaml_paths) + + output_path = os.path.join(save_dir or "", file_name) + logger.debug(f"Writing the YAML configuration to {output_path}.") + westpa_config.to_yaml(output_path) + logger.debug("Configuration successfully saved.") + + +def cli_westpa_config(): + """Command-line interface for generating a WESTPA configuration file. + + This function provides a CLI for the `run_westpa_config` function, allowing users + to generate and save a WESTPA configuration file by specifying the file name, + save directory, and paths to YAML files for updating the configuration parameters. + + Args: + --name: The name of the output configuration file including the file extension. + --save_dir: The directory where the configuration file will be saved. + --yaml: One or more paths to YAML files from which to update the configuration + parameters. These are processed in decreasing precedence order. + + Example: + Run this function from the command line with the desired arguments, for example: + + ```bash + sp_westpa_config --name my_config.cfg --save_dir /path/to/save --yaml config1.yaml config2.yaml + ``` + + This will generate a configuration file named "my_config.cfg" in the specified + directory, updated with parameters from "config1.yaml" and "config2.yaml". + """ + parser = argparse.ArgumentParser(description="Generate WESTPA configuration") + parser.add_argument( + "--name", + type=str, + help="File name including the file extension.", + default="west.cfg", + ) + parser.add_argument( + "--save_dir", type=str, help="Directory to save rendered file.", default="." + ) + parser.add_argument( + "--yaml", + type=str, + nargs="+", + help="Paths to YAML files to use for updating parameters in decreasing precedence.", + ) + args = parser.parse_args() + + run_westpa_config(file_name=args.name, save_dir=args.save_dir, yaml_paths=args.yaml) diff --git a/subpex/configs/westpa/data.py b/subpex/configs/westpa/data.py new file mode 100644 index 0000000..e67bea3 --- /dev/null +++ b/subpex/configs/westpa/data.py @@ -0,0 +1,48 @@ +from typing import Any + +from collections.abc import Iterable, MutableMapping + +from pydantic import BaseModel, Field + + +class DatasetsConfig(BaseModel): + name: str + h5path: str | None = Field(default=None) + store: bool = Field(default=True) + load: bool = Field(default=False) + dtype: str | None = Field(default=None) + scaleoffset: int | None = Field(default=None) + compression: int | None = Field(default=None) + chunks: int | None = Field(default=None) + + +class DataRefs(BaseModel): + segment: str | None = Field( + default=r"$WEST_SIM_ROOT/traj_segs/{segment.n_iter:06d}/{segment.seg_id:06d}" + ) + basis_state: str | None = Field( + default=r"$WEST_SIM_ROOT/bstates/{basis_state.auxref}" + ) + initial_state: str | None = Field( + default=r"$WEST_SIM_ROOT/istates/{initial_state.iter_created}/{initial_state.state_id}.xml" + ) + + +class DataConfig(BaseModel): + + west_data_file: str = Field(default="west.h5") + """The name of the main HDF5 data storage file for the WESTPA simulation.""" + aux_compression_threshold: int = Field(default=1048576) + """The threshold in bytes for compressing the auxiliary data in a dataset on an + iteration-by-iteration basis. + """ + iter_prec: int = Field(default=8) + """The length of the iteration index with zero-padding. For the default value, + iteration 1 would be specified as iter_00000001. + """ + load_auxdata: bool = Field(default=False) + """Load all datasets without an explicit load specification.""" + datasets: Iterable[MutableMapping[str, Any]] | None = Field(default=None) + """List of all datasets to load.""" + data_refs: DataRefs = Field(default_factory=DataRefs) + """References to various data paths.""" diff --git a/subpex/configs/westpa/executable.py b/subpex/configs/westpa/executable.py new file mode 100644 index 0000000..09d3b28 --- /dev/null +++ b/subpex/configs/westpa/executable.py @@ -0,0 +1,61 @@ +from collections.abc import Sequence + +from pydantic import BaseModel, Field + + +class ExeChildConfig(BaseModel): + enabled: bool = Field(default=True) + executable: str + """Path to executable to run for data.""" + stdout: str | None = Field(default=None) + stderr: str | None = Field(default=None) + + +class DatasetsConfig(BaseModel): + name: str + + +class ExecutableConfig(BaseModel): + datasets: Sequence[DatasetsConfig] = Field( + default=[ + DatasetsConfig(name="pocket_rmsd"), + DatasetsConfig(name="pocket_volume"), + DatasetsConfig(name="backbone_rmsd"), + DatasetsConfig(name="pocket_rog"), + DatasetsConfig(name="pocket_jd"), + ] + ) + pre_iteration: ExeChildConfig = Field( + default=ExeChildConfig( + enabled=False, + executable=r"$WEST_SIM_ROOT/westpa_scripts/pre_iter.sh", + stderr=r"$WEST_SIM_ROOT/job_logs/pre_iter.log", + ) + ) + """Pre-iteration executable settings.""" + post_iteration: ExeChildConfig = Field( + default=ExeChildConfig( + enabled=True, + executable=r"$WEST_SIM_ROOT/westpa_scripts/post_iter.sh", + stderr=r"$WEST_SIM_ROOT/job_logs/post_iter.log", + ) + ) + """Post-iteration executable settings.""" + gen_istate: ExeChildConfig = Field( + default=ExeChildConfig( + enabled=True, + executable=r"$WEST_SIM_ROOT/westpa_scripts/gen_istate.sh", + stdout=r"/dev/null", + stderr=r"$WEST_SIM_ROOT/job_logs/gen_istate.log", + ) + ) + """Executable to generate initial state.""" + get_pcoord: ExeChildConfig = Field( + default=ExeChildConfig( + enabled=True, + executable=r"$WEST_SIM_ROOT/westpa_scripts/get_pcoord.sh", + stdout=r"/dev/null", + stderr=r"$WEST_SIM_ROOT/job_logs/get_pcoord.log", + ) + ) + """Executable to get progress coordinate.""" diff --git a/subpex/configs/westpa/main.py b/subpex/configs/westpa/main.py new file mode 100644 index 0000000..b844941 --- /dev/null +++ b/subpex/configs/westpa/main.py @@ -0,0 +1,20 @@ +from pydantic import BaseModel, Field + +from ..io import YamlIO +from .data import DataConfig +from .executable import ExecutableConfig +from .propagation import PropagationConfig +from .system import SystemConfig + + +class WrapWestpaConfig(BaseModel): + system: SystemConfig = Field(default_factory=SystemConfig) + propagation: PropagationConfig = Field(default_factory=PropagationConfig) + data: DataConfig = Field(default_factory=DataConfig) + executable: ExecutableConfig = Field(default_factory=ExecutableConfig) + + +class WestpaConfig(BaseModel, YamlIO): + """The root configuration for `west.cfg` files.""" + + west: WrapWestpaConfig = Field(default_factory=WrapWestpaConfig) diff --git a/subpex/configs/westpa/propagation.py b/subpex/configs/westpa/propagation.py new file mode 100644 index 0000000..cf7c364 --- /dev/null +++ b/subpex/configs/westpa/propagation.py @@ -0,0 +1,29 @@ +from pydantic import BaseModel, Field + + +class PropagationConfig(BaseModel): + """Propagation settings for WESTPA.""" + + gen_istates: bool = Field(default=True) + """Boolean specifying whether to generate initial states from the basis states. + The executable propagator defines a specific configuration block, and custom + propagators should override the `WESTPropagator.gen_istate()` method. + """ + + block_size: int = Field(default=1) + """An integer defining how many segments should be passed to a worker at a time. + When using the serial work manager, this value should be set to the maximum number + of segments per iteration to avoid significant overhead incurred by the locking + mechanism in the WMFutures framework. Parallel work managers might benefit from + setting this value greater than one in some instances to decrease network + communication load. + """ + save_transition_matrices: bool = True + """Save transition matrices.""" + max_run_wallclock: str | None = None + """A time in dd:hh:mm:ss or hh:mm:ss specifying the maximum wallclock time of a + particular WESTPA run. If running on a batch queuing system, this time should be + set to less than the job allocation time to ensure that WESTPA shuts down cleanly. + """ + max_total_iterations: int | None = None + """Max number of iterations to run.""" diff --git a/subpex/configs/westpa/system.py b/subpex/configs/westpa/system.py new file mode 100644 index 0000000..ae4b06b --- /dev/null +++ b/subpex/configs/westpa/system.py @@ -0,0 +1,53 @@ +from pydantic import BaseModel, Field + + +class BinsMapper(BaseModel): + type: str | None = Field(default=None) + nbins: list[int] | None = Field(default=None) + bottleneck: bool | None = Field(default=None) + pca: bool = Field(default=False) + at: list[float] | None = Field(default=None) + + +class BinsBase(BaseModel): + type: str | None = Field(default=None) + boundaries: list[str | int | float] | None = Field(default=None) + + +class BinsModel(BaseModel): + type: str | None = Field(default="RectilinearBinMapper") + """This selects the bin mappers which takes vectors of coordinates (or rather, + coordinate tuples), and assign each a definite integer value identifying a bin. + + See the [WESTPA documentation](https://westpa.readthedocs.io/en/latest/documentation/core/westpa.core.binning.html#module-westpa.core.binning.assign) + for more information. + """ + base: BinsBase | None = Field(default_factory=BinsBase) + mappers: list[BinsMapper] | None = Field(default=None) + + +class SystemOptions(BaseModel): + pcoord_ndim: int = Field(default=1) + """The number of dimensions in the progress coordinate.""" + pcoord_dtype: str = Field(default="np.float64") + """The data type of the progress coordinate, which must be callable.""" + pcoord_len: int = Field(default=2) + """The length of the progress coordinate time series generated by each segment, + including both the initial and final values. + """ + bins: BinsModel | None = Field(default_factory=BinsModel) + bin_target_counts: list[int] = [1] + """A vector of target counts, one per bin.""" + + +class SystemConfig(BaseModel): + """System settings for WESTPA.""" + + driver: str = Field(default="westpa.core.systems.WESTSystem") + """An import string to a WESTPA system representation. Additional documentation + can be found [here](https://westpa.readthedocs.io/en/latest/documentation/core/westpa.core.html#westpa.core.systems.WESTSystem). + """ + module_path: str | None = None + """Path where the class is defined.""" + system_options: SystemOptions = Field(default_factory=SystemOptions) + """TODO:""" diff --git a/subpex/data/__init__.py b/subpex/data/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/subpex/data/compute.py b/subpex/data/compute.py new file mode 100644 index 0000000..be857b6 --- /dev/null +++ b/subpex/data/compute.py @@ -0,0 +1,145 @@ +import argparse +import sys +from collections.abc import Sequence + +import MDAnalysis as mda +import numpy as np +import pandas as pd +from MDAnalysis.analysis import align + +from ..configs import SubpexConfig +from ..fop.io import read_fop +from .io import load_data, write_data + + +def run_compute_data( + topo_path: str, + traj_path: str, + ref_path: str, + fop_ref: Sequence[Sequence[float]], + subpex_config: SubpexConfig, + selection_align_suffix: str = " and backbone", + write: bool = True, + write_dir: str | None = None, +) -> SubpexConfig: + """Computes auxillary data during the course of a a simulation. + + Args: + topo_path: Topology path for the trajectory. + traj_path: Path to MDAnalysis-supported trajectory to compute progress + coordinates. + ref_path: Path to reference structure. This will preferably be a PDB file. + fop_ref: Reference field of points. + subpex_config: Context manager for computing progress coordinates. + selection_align_suffix: Suffix to append to pocket selection for alignment + purposes. + write: Write output files. + write_dir: Directory to write any output files to. Will default to current + working directory if `None`. + """ + # Load reference and sample trajectory into universes + u_ref = mda.Universe(ref_path) + u_traj = mda.Universe(topo_path, traj_path) + + # Using the selection string to select atoms in the pocket + if subpex_config.pocket.selection_str is None: + raise ValueError("pocket_selection_str cannot be None") + atoms_ref = u_ref.select_atoms("protein") + + # Define the number of times that the progress coordinates and auxiliary + # info will be calculated. + num_points = subpex_config.calculated_points + if num_points == -1: + num_points = len(u_traj.trajectory) + + # Create a dictionary with all the elements to calculate + load_data(subpex_config, data_dir=write_dir) + + # get selection string for alignment + selection_alignment = subpex_config.pocket.selection_str + selection_align_suffix + + # loop through frames of walker and calculate auxdata + for frame in np.linspace(0, len(u_traj.trajectory) - 1, num_points, dtype=int): + u_traj.trajectory[frame] + + # align the frame to the reference + atoms_frame = u_traj.select_atoms("protein") + align.alignto(atoms_frame, atoms_ref, select=selection_alignment) + + for aux_data in subpex_config.data.aux.get_active(): + aux_data.compute_frame( + atoms_frame=atoms_frame, + subpex_config=subpex_config, + atoms_ref=atoms_ref, + ) + + if write: + write_data(subpex_config=subpex_config, data_dir=write_dir) + + return subpex_config + + +def cli_get_data(): + # Get arguments and load json settings file. + parser = argparse.ArgumentParser( + description="Compute auxillary data for a trajectory." + ) + parser.add_argument("topo_path", type=str, help="Path to topology file.") + parser.add_argument( + "ref_path", type=str, help="Path to reference structure (preferably PDB)." + ) + parser.add_argument( + "traj_path", type=str, help="Path to trajectory file supported by mda." + ) + parser.add_argument("fop_ref_path", type=str, help="Path to reference FOP file.") + parser.add_argument( + "--write_dir", + type=str, + help="Directory to write, and search for, any output files.", + ) + parser.add_argument( + "--yaml", + type=str, + nargs="+", + help="Paths to YAML files to use for subpex context in decreasing precedence.", + ) + parser.add_argument( + "--csv", + type=str, + help="will save results in an csv file with the provided filename", + ) + args = parser.parse_args() + + subpex_config = SubpexConfig() + if args.yaml is None: + args.yaml = [] + for yaml_path in reversed(args.yaml): + subpex_config.from_yaml(yaml_path) + + # Checking the the trajectory doesn't have a rattle error. + try: + with open("seg.log", "r", encoding="utf-8") as f: + line = f.readline() + while line: + if "RATTLE" in line: + print("There was an error with the simulation") + sys.exit("There was an error with the simulation") + else: + line = f.readline() + except Exception: + print("Could not check log file. There could be a problem with the simulation") + + fop_ref = read_fop(args.fop_ref_path) + + results = run_compute_data( + topo_path=args.topo_path, + traj_path=args.traj_path, + ref_path=args.ref_path, + fop_ref=fop_ref, + subpex_config=subpex_config, + write_dir=args.write_dir, + ) + + if args.csv is not None: + df_results = pd.DataFrame(results) + df_results.to_csv(args.csv) diff --git a/subpex/data/io.py b/subpex/data/io.py new file mode 100644 index 0000000..68d6393 --- /dev/null +++ b/subpex/data/io.py @@ -0,0 +1,130 @@ +"""Handle IO of auxillary data.""" + +import os +from collections.abc import MutableSequence + +from loguru import logger + +from ..configs import SubpexConfig +from ..fop.io import write_fop + + +def _load_data(path_data: str) -> MutableSequence[float]: + """Attempts to load the last auxillary data from a data file, if it exists. + + This function reads a specified file and retrieves the last value, which is assumed + to be stored on the last line of the file. If the path does not exist, it will + return an empty list. + + Args: + path_data: The path to the file containing progress coordinate data. + """ + if os.path.exists(path_data): + logger.debug(f"Loading data at {path_data}") + with open(path_data, "r", encoding="utf-8") as f: + data_string = f.readlines()[-1].strip() + + data_split = data_string.split() + if len(data_split) > 1: + return [float(value) for value in data_split] + return [float(data_split[0])] + logger.debug(f"{path_data} does not exist") + return [] + + +def load_data(subpex_config: SubpexConfig, data_dir: str | None = None) -> SubpexConfig: + """Populate `subpex_config` auxillary data with the last value found in `data_dir`. + + Calls + + Args: + subpex_config: The Subpex configuration. + data_dir: Directory to search for auxillary data files. If `None`, then no + data is appended to `subpex_config`. + + Returns: + The updated SubpexConfig object with the last value of data found appended to + the respective auxiliary data. + """ + if data_dir is not None: + for aux_data in subpex_config.data.aux.get_active(): + _data = _load_data(os.path.join(data_dir, aux_data.file_name)) + if len(_data) > 0: + aux_data.values.append(_data) + + return subpex_config + + +def write_data( + subpex_config: SubpexConfig, + data_dir: str | None = None, +) -> None: + """Writes activated auxiliary data from the `subpex_config` to files in the + specified directory. + + This function iterates through the active auxiliary data in the provided + `subpex_config` and writes them to files in the `data_dir`. The format of the output + files is determined by their extensions: + + - `.xyz` and `.pdb`: The data is expected to be a field of points and is written + using the `write_fop` function. + - `.txt`: The data is written as plain text. If the data consists of floats, each + value is written on a new line. If the data is iterable (e.g., a list of lists), + each sublist is written on a new line, with values formatted to four decimal + places and separated by spaces. + + Args: + subpex_config: The Subpex configuration object containing auxiliary data to be + written to files. + data_dir: The directory where the data files will be written. If `None`, an + empty string is used as the directory. + + Warning: + - If the file extension is not supported (`.xyz`, `.pdb`, or `.txt`), the + function logs a warning and skips writing the data. + - If the data type does not match the expected format for a given file + extension, the function logs a warning and skips writing the data. + - If the data type is not accounted for, the function logs a warning and skips + writing the data. + + Example: + ```python + subpex_config = SubpexConfig(...) + write_data(subpex_config, data_dir="/path/to/data") + ``` + """ + if data_dir is None: + data_dir = "" + for aux_data in subpex_config.data.aux.get_active(): + f_path = os.path.join(data_dir, aux_data.file_name) + f_ext = f_path.split(".")[-1] + + if f_ext in ("xyz", "pdb"): + if isinstance(aux_data.values[0], float): + logger.warning(f"File extension for {f_path} is {f_ext}") + logger.warning("However, data is not a field of points.") + logger.warning("Not writing this data.") + continue + write_fop( + aux_data.values, # type: ignore + f_path, + data_dir=data_dir, + ) + elif f_ext == "txt": + if isinstance(aux_data.values[0], float): + with open(f_path, "w", encoding="utf-8") as f: + for _value in aux_data.values: + f.write(str(_value) + "\n") + elif hasattr(aux_data.values[0], "__iter__"): + with open(f_path, "w", encoding="utf-8") as f: + for _data_frame in aux_data.values: + line = "" + for _data_frame_pcoord in _data_frame: # type: ignore + line += "{:.4f} ".format(_data_frame_pcoord) + f.write(line + "\n") + else: + logger.warning(f"{type(aux_data.values[0])} has not been accounted for") + logger.warning(f"Skipping {f_path}") + else: + logger.warning(f"{f_ext} file extension is not supported") + logger.warning(f"Skipping {f_path}") diff --git a/subpex/fop/__init__.py b/subpex/fop/__init__.py new file mode 100644 index 0000000..7486878 --- /dev/null +++ b/subpex/fop/__init__.py @@ -0,0 +1,9 @@ +""" +The fop module provides functions for reading, writing, and parsing fields of points (FOP) +in XYZ and PDB file formats. These functions support both single-frame and multi-frame FOP data, +making it easy to visualize molecular structures and fields of points using software such as VMD. + +Functions: + read_fop: Determines the file type (.xyz or .pdb) and parses the FOP accordingly. + write_fop: Writes the FOP to a file in either XYZ or PDB format, handling single-frame and multi-frame data. +""" diff --git a/subpex/fop/clean.py b/subpex/fop/clean.py new file mode 100644 index 0000000..fac59f6 --- /dev/null +++ b/subpex/fop/clean.py @@ -0,0 +1,83 @@ +"""Algorithms to clean a field of points.""" + +from collections.abc import Sequence + +import numpy as np +import scipy as sp + + +def remove_fop_atom_clash( + fop: Sequence[Sequence[float]], + atoms_points: Sequence[Sequence[float]], + vdw_radius: float = 2.6, +) -> Sequence[Sequence[float]]: + """Removes points that clash with atoms within the field of points. + + Args: + fop: Field of points XYZ coordinates. + atoms_points (list of lists): coordinates of atoms within the field of points. + vdw_radius: Van der Waals radius for atoms to detect clashes. Defaults to + the van der Waals radius of water and that of hydrogen atom. + + Returns: + A field of points without atom clashes. + """ + # Generating cKDTrees to obtain distances + atoms_tree = sp.spatial.cKDTree(atoms_points) + fop_tree = sp.spatial.cKDTree(fop) + + # get indices of fop_tree that are close to atoms_tree + clash_indices = atoms_tree.query_ball_tree(fop_tree, vdw_radius, p=2, eps=0) + + # Creating the FOP that does not contain points that clash with the atoms + # provided to the function. + fop_trimmed = [] + for i, point in enumerate(fop): + if i not in clash_indices: + fop_trimmed.append(point) + + return fop_trimmed + + +def point_in_hull( + point: Sequence[float], hull: sp.spatial.ConvexHull, tolerance: float = 1e-12 +) -> bool: + """Determines if a point is contained in a hull. A point is in the hull if + and only if for every equation (describing the facets), the dot product + between the point and the normal vector (eq[:-1]) plus the offset (eq[-1]) + is less than or equal to zero. You may want to compare to a small, positive + constant tolerance = 1e-12 rather than to zero because of issues of + numerical precision (otherwise, you may find that a vertex of the convex + hull is not in the convex hull). + + Args: + point: coordinates of the point to be considered. + hull: Convex hulls in N dimensions. + tolerance: tolerance for the calculation. + + Returns: + Returns True if point in hull, False otherwise + """ + return all((np.dot(eq[:-1], point) + eq[-1] <= tolerance) for eq in hull.equations) + + +def remove_convex_fop( + fop_trimmed: Sequence[Sequence[float]], trimmed_alpha: Sequence[Sequence[float]] +) -> Sequence[Sequence[float]]: + """Uses a convex hull to trim points from the field of points that are + outside of the protein pocket. + + Args: + fop: Field of points XYZ coordinates with no atom clashes. + trimmed_alpha: alpha atoms to define the convex hull. + + Returns: + points_in_hull: FOP trimmed of points outside the convex hull defined by the + protein. + """ + trimmed_alpha_convex = sp.spatial.ConvexHull(trimmed_alpha) + points_in_hull = [] + for point in fop_trimmed: + if point_in_hull(point, trimmed_alpha_convex): + points_in_hull.append(point) + return points_in_hull diff --git a/subpex/fop/cluster.py b/subpex/fop/cluster.py new file mode 100644 index 0000000..d07278f --- /dev/null +++ b/subpex/fop/cluster.py @@ -0,0 +1,60 @@ +"""Cluster field of points to identify pockets.""" + +from typing import Any + +from collections.abc import MutableMapping, MutableSequence, Sequence + +from sklearn.cluster import DBSCAN + + +def cluster_fop( + fop: Sequence[Sequence[float]], + clustering_model: type | None = None, + clustering_kwargs: MutableMapping[str, Any] | None = None, +) -> Sequence[Sequence[float]]: + """Takes the coordinates of the field of points (fop) and uses a clustering + algorithm to trim the fop to the points. Keeps the cluster that contains + the center of the pocket. + + Args: + fop: coordinates of field of points. + clustering_model: Scikit-learn clustering model class to use. + clustering_kwargs: Keyword arguments for `clustering_model` initialization. + + Returns: + field of points after clustering + """ + # sometimes no points are present in the FOP. + if len(fop) == 0: + return [] + + if clustering_model is None: + clustering_model = DBSCAN + if clustering_kwargs is None: + if isinstance(clustering_model, DBSCAN): + clustering_kwargs = {"eps": 0.5, "min_samples": 2} + else: + clustering_kwargs = {} + db = clustering_model(**clustering_kwargs).fit(fop) + labels = db.labels_ + n_clusters_ = len(set(labels)) - (1 if -1 in labels else 0) + + if n_clusters_ == 0: + # In some cases, even when fop has a few points, there are no clusters. + # In this case, just return an empty list. + return [] + + longest: str = "" + clusters: dict[str, MutableSequence[Sequence[float]]] = {} + for i in range(n_clusters_): + clusters["Cluster_" + str(i + 1)] = [] + + for i, coord in enumerate(fop): + if labels[i] != -1: + clusters["Cluster_" + str(labels[i] + 1)].append(coord) + + for cluster_key, cluster in clusters.items(): + if longest == "" or len(cluster) > len(clusters[longest]): + longest = cluster_key + + return clusters[longest] diff --git a/subpex/fop/compute.py b/subpex/fop/compute.py new file mode 100644 index 0000000..e617c0f --- /dev/null +++ b/subpex/fop/compute.py @@ -0,0 +1,95 @@ +"""Field of points properties""" + +from typing import Any + +from collections.abc import MutableMapping, Sequence + +import MDAnalysis as mda + + +def get_fop_inputs( + atoms_frame: mda.AtomGroup, + pocket_selection: str | None, + subpex_config: "SubpexConfig", # type: ignore # noqa: F821 + *args: Any, + **kwargs: Any +) -> MutableMapping[str, Any]: + """ + Generates a dictionary of inputs for field of points (FoP) calculations. + + This function selects atoms from the provided MDAnalysis AtomGroup according to + the given pocket selection string and the Subpex configuration. It returns a + dictionary containing the positions of protein atoms, pocket C-alpha atoms, + pocket radius, resolution, and pocket center. + + Args: + atoms_frame: An MDAnalysis AtomGroup object containing the atoms of the + molecular structure. + pocket_selection: A string specifying the selection criteria for pocket atoms. + This string should follow the MDAnalysis selection syntax. + subpex_config: The Subpex configuration object containing parameters for + pocket radius, resolution, and center. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + A dictionary with the following keys: + + - `protein`: Positions of protein atoms. + - `pocket_c_alphas`: Positions of pocket C-alpha atoms. + - `radius`: Radius of the pocket. + - `resolution`: Resolution of the pocket. + - `center`: Center of the pocket. + + Raises: + ValueError: If the pocket selection string is `None` or if the pocket center + is `None`. + + Example: + ```python + atoms_frame = u.select_atoms("protein") + pocket_selection = "resid 50-60" + subpex_config = SubpexConfig(...) + inputs = get_fop_inputs(atoms_frame, pocket_selection, subpex_config) + ``` + """ + if pocket_selection is None: + raise ValueError("Pocket selection string cannot be `None`") + inputs = {} + inputs["protein"] = atoms_frame.select_atoms("protein").positions + inputs["pocket_c_alphas"] = atoms_frame.select_atoms( + pocket_selection + " and name CA*" + ).positions + inputs["radius"] = subpex_config.pocket.radius + inputs["resolution"] = subpex_config.pocket.resolution + if subpex_config.pocket.center is None: + raise ValueError("`pocket_center` cannot be None") + inputs["center"] = subpex_config.pocket.center + return inputs + + +def get_fop_volume( + fop: Sequence[Sequence[float]], resolution: float, *args: Any, **kwargs: Any +) -> float: + """Computes the volume of a field of points (FoP) based on the given resolution. + + This function calculates the volume occupied by a field of points by assuming that + each point occupies a cubic space defined by the resolution. + + Args: + fop: A sequence of sequences containing XYZ coordinates for each point. + resolution: The resolution of the field of points in Angstroms. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + The volume of the field of points as a float. + + Example: + ```python + fop = [[0.0, 0.0, 0.0], [1.0, 1.0, 1.0], [2.0, 2.0, 2.0]] + resolution = 1.0 + volume = get_fop_volume(fop, resolution) + ``` + """ + return float(len(fop) * (resolution**3)) diff --git a/subpex/fop/gen.py b/subpex/fop/gen.py new file mode 100644 index 0000000..086a58a --- /dev/null +++ b/subpex/fop/gen.py @@ -0,0 +1,74 @@ +"""Generate field of points.""" + +from collections.abc import Sequence + +import numpy as np +from loguru import logger + + +def gen_fop( + center: Sequence[float], resolution: float, radius: float, round_decimals: int = 3 +) -> tuple[Sequence[Sequence[float]], Sequence[float]]: + """Generate a spherical field of points. + + Snaps the provided center to the a center congruent to the resolution + and radius given by the user. Then generates a spherical field of points + (FOP) with radius = radius/2 with points spaced "resolution" apart. + + Args: + center: XYZ coordinates for the center of the pocket. + resolution: Distance between points which give resolution of the + pocket volume calculator method. + radius: Defines the radius of the sphere of the FOP. + round_decimals: Number of decimals to round FOP and center to. + + Returns: + field_of_points: a spherical field of points + center: center of the field of points + """ + logger.info("Generating spherical field of points (FOP)") + logger.debug(f"FOP radius: {radius}") + logger.debug(f"FOP resolution: {resolution}") + # This part of the code will get a new center, a snapped center. + snapped_x = np.around(center[0] / resolution) * resolution + snapped_y = np.around(center[1] / resolution) * resolution + snapped_z = np.around(center[2] / resolution) * resolution + fop_center_array = np.around( + np.array([snapped_x, snapped_y, snapped_z], dtype=np.float64), round_decimals + ) + logger.debug( + f"FOP center: {fop_center_array[0]} {fop_center_array[1]} {fop_center_array[2]}" + ) + + # Getting the field of points around the center. + xs = np.round( + np.arange( + fop_center_array[0] - radius, + fop_center_array[0] + radius + resolution, + resolution, + ), + round_decimals, + ) + ys = np.round( + np.arange( + fop_center_array[1] - radius, + fop_center_array[1] + radius + resolution, + resolution, + ), + round_decimals, + ) + zs = np.round( + np.arange( + fop_center_array[2] - radius, + fop_center_array[2] + radius + resolution, + resolution, + ), + round_decimals, + ) + fop_array = np.vstack(np.meshgrid(xs, ys, zs)).reshape(3, -1).T + logger.debug(f"Initial FOP has {fop_array.shape[0]} points") + dist_squared = np.sum((fop_array - fop_center_array) ** 2, axis=1) + fop_array = fop_array[dist_squared < radius**2] + logger.debug(f"{fop_array.shape[0]} points are < {radius} away from center") + + return fop_array.tolist(), fop_center_array.tolist() diff --git a/subpex/fop/io.py b/subpex/fop/io.py new file mode 100644 index 0000000..b84ba93 --- /dev/null +++ b/subpex/fop/io.py @@ -0,0 +1,222 @@ +"""Reading and writing field of points.""" + +import os +from collections.abc import Sequence + +from loguru import logger + + +def parse_pdb_fop(file_path: str) -> Sequence[Sequence[float]]: + """Parse and return the field of points (FOP) stored in a PDB file. + + This function reads a PDB file, extracts the XYZ coordinates from lines that start + with 'ATOM', and returns them as a list of lists of floats. + + Args: + file_path: Path to the PDB file containing the field of points. + + Returns: + A list of [X, Y, Z] coordinates. + + Raises: + FileNotFoundError: If the file at the given path does not exist. + ValueError: If the file contains improperly formatted lines. + """ + logger.debug(f"Parsing {file_path} for FOP") + try: + with open(file_path, "r", encoding="utf-8") as f: + lines = f.readlines() + except FileNotFoundError as e: + logger.error(f"File not found: {file_path}") + raise e + + fop = [] + for line in lines: + if line.startswith("ATOM"): + try: + x = float(line[30:38].strip()) + y = float(line[38:46].strip()) + z = float(line[46:54].strip()) + fop.append([x, y, z]) + except ValueError as e: + logger.error(f"Error parsing line: {line.strip()}") + raise e + + logger.debug(f"Successfully parsed {len(fop)} points from {file_path}") + return fop + + +def parse_xyz_fop(file_path: str) -> Sequence[Sequence[float]]: + """Reads a filename and parses the field of points (FOP) from an XYZ file format. + + This function reads an XYZ file, extracts the XYZ coordinates from the lines, and + returns them as a list of lists of floats. The first two lines are typically headers + and are skipped. + + Args: + file_path: Filename of the field of points to open and parse. + + Returns: + A list of [X, Y, Z] coordinates. + + Raises: + FileNotFoundError: If the file at the given path does not exist. + ValueError: If the file contains improperly formatted lines. + """ + logger.debug(f"Parsing {file_path} for FOP") + try: + with open(file_path, "r", encoding="utf-8") as f: + lines = f.readlines() + except FileNotFoundError as e: + logger.error(f"File not found: {file_path}") + raise e + + try: + fop = [ + [float(line.split()[1]), float(line.split()[2]), float(line.split()[3])] + for line in lines[2:] + if len(line.split()) == 4 + ] + except ValueError as e: + logger.error(f"Error parsing file: {file_path}") + raise e + + logger.debug(f"Successfully parsed {len(fop)} points from {file_path}") + return fop + + +def read_fop(file_path: str) -> Sequence[Sequence[float]]: + """Load field of points (FOP) from supported file types (.xyz or .pdb). + + This function determines the file type based on the file extension and + calls the appropriate parsing function to load the field of points. + + Args: + file_path: Path to the .xyz or .pdb file containing the field of points. + + Returns: + A list of [X, Y, Z] coordinates. + + Raises: + ValueError: If the file extension is not supported. + FileNotFoundError: If the file at the given path does not exist. + ValueError: If the file contains improperly formatted lines. + """ + fop_type = file_path.split(".")[-1].lower() + logger.debug(f"Reading FOP from {file_path}, detected file type: {fop_type}") + + if fop_type == "xyz": + fop_ref = parse_xyz_fop(file_path) + elif fop_type == "pdb": + fop_ref = parse_pdb_fop(file_path) + else: + logger.error("Unsupported file extension: must be .xyz or .pdb") + raise ValueError("File must end in `.xyz` or `.pdb`.") + + logger.debug(f"Successfully loaded FOP from {file_path}") + return fop_ref + + +def points_to_pdb( + file_path: str, + fop_input: Sequence[Sequence[float]] | Sequence[Sequence[Sequence[float]]], +) -> None: + """Writes a PDB file full of C-alphas so users can visualize the field of + points in software such as VMD. + + This function creates a PDB file with each point represented as a C-alpha + (CA) atom, allowing for visualization in molecular visualization software. + The function supports creating a multiframe PDB file if the input sequence + contains multiple frames of points. + + Args: + file_path: Name of the PDB file to create. + fop_input: Field of points XYZ coordinates. Can contain multiple frames of points. + """ + logger.debug(f"Writing FOP to {file_path}") + + # Ensure fop is a 3D list + if all(isinstance(i, (float, int)) for i in fop_input[0]): + fop = [fop_input] + else: + fop = fop_input # type: ignore + + with open(file_path, "w", encoding="utf-8") as f: + frame_number = 1 + for frame in fop: + atom_number = 1 + f.write(f"MODEL {frame_number}\n") + for point in frame: + text = f"ATOM {atom_number:>5} CA ALA A {atom_number:>4} " + text += f"{point[0]:>8.3f}{point[1]:>8.3f}{point[2]:>8.3f} 1.00 0.00 C\n" + f.write(text) + atom_number += 1 + f.write("ENDMDL\n") + frame_number += 1 + + logger.debug(f"Successfully wrote FOP to {file_path}") + + +def points_to_xyz( + file_path: str, + fop_input: Sequence[Sequence[float]] | Sequence[Sequence[Sequence[float]]], +) -> None: + """Writes an XYZ file that users can load into visualization software such as VMD. + + This function creates an XYZ file with each point represented as a CA atom, + allowing for visualization in molecular visualization software. The function + supports creating a multiframe XYZ file if the input sequence contains multiple + frames of points. + + Args: + file_path: Name for the XYZ file to be created. + fop: Contains XYZ coordinates for each atom. Can be a 2D list (single frame) + or a 3D list (multiple frames). + """ + logger.debug(f"Writing FOP to {file_path}") + + # Ensure fop is a 3D list + if all(isinstance(i, (float, int)) for i in fop_input[0]): + fop = [fop_input] + else: + fop = fop_input # type: ignore + + with open(file_path, "w", encoding="utf-8") as f: + for frame in fop: + f.write(f"{len(frame)}\n\n") + for point in frame: + f.write(f"CA {point[0]:.3f} {point[1]:.3f} {point[2]:.3f}\n") + + logger.debug(f"Successfully wrote FOP to {file_path}") + + +def write_fop( + fop: Sequence[Sequence[float]] | Sequence[Sequence[Sequence[float]]], + f_path: str, + data_dir: str | None = None, +) -> None: + """Writes the field of points (FOP) to a file in either XYZ or PDB format. + + This function saves the given field of points to a specified file path. It supports + both XYZ and PDB file formats and can handle both single-frame and multi-frame data. + + Args: + fop: Field of points XYZ coordinates. Can be a 2D list (single frame) or a 3D list (multiple frames). + f_path: File path where the FOP should be saved. The file extension must be either `.xyz` or `.pdb`. + data_dir: Directory to save the file in. If None, the file will be saved in the current directory. + + Raises: + ValueError: If the file extension is not `.xyz` or `.pdb`. + """ + if data_dir is None: + data_dir = "" + + full_path = os.path.join(data_dir, f_path) + fop_type = full_path.split(".")[-1].lower() + + if fop_type == "xyz": + points_to_xyz(full_path, fop) + elif fop_type == "pdb": + points_to_pdb(full_path, fop) + else: + raise ValueError("f_path must end in `.xyz` or `.pdb`.") diff --git a/subpex/pocket/__init__.py b/subpex/pocket/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/subpex/pocket/compute.py b/subpex/pocket/compute.py new file mode 100644 index 0000000..25310e1 --- /dev/null +++ b/subpex/pocket/compute.py @@ -0,0 +1,283 @@ +"""Compute properties of pockets.""" + +from typing import Any + +from collections.abc import MutableMapping, Sequence + +import MDAnalysis as mda +import numpy as np +import numpy.typing as npt +import scipy as sp + +from ..fop.compute import get_fop_inputs, get_fop_volume +from ..pocket.detect import get_fop_pocket, get_fop_pocket_convenience +from ..utils.spatial import calculate_distance_two_points, get_centroid, get_rmsd + + +def get_pocket_volume_convenience( + atoms_frame: mda.AtomGroup, + subpex_config: "SubpexConfig", # type: ignore # noqa: F821 + atoms_ref: mda.AtomGroup | None = None, + *args: Any, + **kwargs: Any +) -> float: + """This function simplifies the calculation of the volume of a pocket + from a given trajectory frame. It wraps around the lower-level + [`get_fop_volume`][fop.compute.get_fop_volume] function, + abstracting away some of the complexity and inputs. + + Args: + atoms_frame: Trajectory frame to analyze. + subpex_config: SuPEx configuration containing + selection strings and other parameters. + atoms_ref: Reference frame for comparison, + defaults to None. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + The calculated volume of the pocket. + + Example: + >>> u = mda.Universe("topology.pdb", "trajectory.dcd") + >>> frame = u.select_atoms("protein") + >>> config = SubpexConfig(pocket=PocketConfig(selection_str="protein")) + >>> volume = get_pocket_volume_convenience(frame, config) + >>> print(f"Pocket volume: {volume:.2f}") + """ + inputs = get_fop_inputs( + atoms_frame, subpex_config.pocket.selection_str, subpex_config, *args, **kwargs + ) + inputs["fop"] = get_fop_pocket(**inputs) + return get_fop_volume(**inputs) + + +def get_pocket_rmsd( + atoms_ref: npt.NDArray[np.float64], atoms_frame: npt.NDArray[np.float64] +) -> float: + """Calculates the root-mean-square deviation (RMSD) between two sets of atomic coordinates. + + This function computes the RMSD between a reference structure and a current + frame, assuming each atom has an equal mass of one. RMSD is a measure of + the average distance between atoms of superimposed proteins. + + Args: + atoms_ref: Atomic coordinates of the reference structure. + atoms_frame: Atomic coordinates of the current frame. + + Returns: + The RMSD between the reference and current frame. + + Example: + >>> atoms_ref = np.array([[1.0, 2.0, 3.0], [4.0, 5.0, 6.0]]) + >>> atoms_frame = np.array([[1.1, 2.1, 3.1], [4.1, 5.1, 6.1]]) + >>> rmsd = get_pocket_rmsd(atoms_ref, atoms_frame) + >>> print(f"RMSD: {rmsd:.2f}") + """ + rmsd = get_rmsd(atoms_ref, atoms_frame) + return float(rmsd) + + +def get_pocket_rmsd_convenience( + atoms_frame: mda.AtomGroup, + subpex_config: "SubpexConfig", # type: ignore # noqa: F821 + atoms_ref: mda.AtomGroup | None = None, + *args: Any, + **kwargs: Any +) -> float: + """A convenience wrapper around + [`get_pocket_rmsd`][pocket.compute.get_pocket_rmsd] using a simulation frame. + + This function simplifies the calculation of the RMSD between a reference + frame and a given trajectory frame using the subpex configuration. + + Args: + atoms_frame: Trajectory frame to analyze. + subpex_config: SuPEx configuration containing + selection strings and other parameters. + atoms_ref: Reference frame for comparison, must be provided if not None. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + The RMSD between the reference and current frame. + + Raises: + ValueError: If `atoms_ref` is None. + + Example: + >>> u = mda.Universe("topology.pdb", "trajectory.dcd") + >>> frame = u.select_atoms("protein") + >>> ref = u.select_atoms("protein").positions + >>> config = SubpexConfig(pocket=PocketConfig(selection_str="protein")) + >>> rmsd = get_pocket_rmsd_convenience(frame, config, ref) + >>> print(f"Pocket RMSD: {rmsd:.2f}") + """ + if atoms_ref is None: + raise ValueError("atoms_ref cannot be None") + rmsd = get_pocket_rmsd(atoms_ref.positions, atoms_frame.positions) + return rmsd + + +def get_pocket_rog(fop: Sequence[Sequence[float]], *args: Any, **kwargs: Any) -> float: + """Calculates the radius of gyration for a field of points (FOP). + + The radius of gyration is a measure of the compactness of a set of points, + assuming a uniform mass distribution. + + Args: + fop: The field of points defining the pocket shape. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + The radius of gyration of the pocket. + + Example: + >>> fop = [[1.0, 2.0, 3.0], [4.0, 5.0, 6.0]] + >>> rog = get_pocket_rog(fop) + >>> print(f"Radius of Gyration: {rog:.2f}") + """ + mass = len(fop) + + if mass == 0: + # Sometimes there are no points. + return -9999 + + centroid = get_centroid(fop) + gyration_radius = 0.0 + for i in fop: + gyration_radius += (calculate_distance_two_points(i, centroid)) ** 2 + + return float(np.sqrt(gyration_radius / mass)) + + +def get_pocket_rog_convenience( + atoms_frame: mda.AtomGroup, + subpex_config: "SubpexConfig", # type: ignore # noqa: F821 + atoms_ref: mda.AtomGroup | None = None, + *args: Any, + **kwargs: Any +) -> float: + """A convenience wrapper around + [`get_pocket_rog`][pocket.compute.get_pocket_rog] using a simulation frame. + + This function simplifies the calculation of the radius of gyration for a + pocket from a given trajectory frame using the subpex configuration. + + Args: + atoms_frame: Trajectory frame to analyze. + subpex_config: SuPEx configuration containing + selection strings and other parameters. + atoms_ref: Reference frame for comparison, must be provided if not None. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + The radius of gyration of the pocket. + + Examples: + >>> u = mda.Universe("topology.pdb", "trajectory.dcd") + >>> frame = u.select_atoms("protein") + >>> config = SubpexConfig(pocket=PocketConfig(selection_str="protein")) + >>> rog = get_pocket_rog_convenience(frame, config) + >>> print(f"Radius of Gyration: {rog:.2f}") + """ + inputs = get_fop_inputs( + atoms_frame, subpex_config.pocket.selection_str, subpex_config, *args, **kwargs + ) + inputs["fop"] = get_fop_pocket(**inputs) + return get_pocket_rog(**inputs) + + +def get_pocket_jaccard( + fop_ref: Sequence[Sequence[float]], + fop_frame: Sequence[Sequence[float]], + resolution: float, +) -> float: + """Calculates the Jaccard distance between two fields of points (FoPs). + + The Jaccard distance measures the dissimilarity between two sets of points + based on their intersection and union, considering a specific resolution + for point proximity. + + Args: + fop_ref: Reference field of points. + fop_frame: Field of points from the current frame. + resolution: Resolution for determining point proximity. + + Returns: + The Jaccard distance between the reference and current field of points. + + Examples: + >>> fop_ref = [[1.0, 2.0, 3.0], [4.0, 5.0, 6.0]] + >>> fop_frame = [[1.1, 2.1, 3.1], [4.1, 5.1, 6.1]] + >>> jaccard = get_pocket_jaccard(fop_ref, fop_frame, 0.5) + >>> print(f"Jaccard Distance: {jaccard:.2f}") + """ + # sometimes no points are present in the FOP. + if len(fop_frame) == 0: + return 1.0 + + # Obtaining the trees for both field of points + tree_ref = sp.spatial.cKDTree(fop_ref) + tree_segment = sp.spatial.cKDTree(fop_frame) + + # Obtain the points that are at less than resolution/2.5 (aka have the same + # coordinates) + clash_indices = tree_ref.query_ball_tree(tree_segment, resolution / 2.5, p=2, eps=0) + + # Count the points that intersect and convert to float + intersection = float(len([x for x in clash_indices if x])) + + # Obtain the union of both FOP + union = float(len(fop_ref) + len(fop_frame) - intersection) + + # Calculate Jaccard distance + jaccard = 1.0 - intersection / union + + return jaccard + + +def get_pocket_jaccard_convenience( + atoms_frame: mda.AtomGroup, + subpex_config: "SubpexConfig", # type: ignore # noqa: F821 + atoms_ref: mda.AtomGroup | None = None, + *args: Any, + **kwargs: Any +) -> float: + """A convenience wrapper around + [`get_pocket_jaccard`][pocket.compute.get_pocket_jaccard] using a simulation frame. + + This function simplifies the calculation of the Jaccard distance between + a reference frame and a given trajectory frame using the subpex configuration. + + Args: + atoms_frame: Trajectory frame to analyze. + subpex_config: SuPEx configuration containing + selection strings and other parameters. + atoms_ref: Reference frame for comparison, + must be provided if not None. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + The Jaccard distance between the reference and current field of points. + + Examples: + >>> u = mda.Universe("topology.pdb", "trajectory.dcd") + >>> frame = u.select_atoms("protein") + >>> ref = u.select_atoms("protein").positions + >>> config = SubpexConfig(pocket=PocketConfig(selection_str="protein")) + >>> jaccard = get_pocket_jaccard_convenience(frame, config, ref) + >>> print(f"Pocket Jaccard Distance: {jaccard:.2f}") + """ + inputs: MutableMapping[str, Sequence[Sequence[float]] | float] = {} + inputs["fop_ref"] = get_fop_pocket_convenience( + atoms_frame=atoms_ref, subpex_config=subpex_config + ) + inputs["fop_frame"] = get_fop_pocket_convenience( + atoms_frame=atoms_frame, subpex_config=subpex_config + ) + inputs["resolution"] = subpex_config.pocket.resolution + return get_pocket_jaccard(**inputs) # type: ignore diff --git a/subpex/pocket/detect.py b/subpex/pocket/detect.py new file mode 100644 index 0000000..fc06d41 --- /dev/null +++ b/subpex/pocket/detect.py @@ -0,0 +1,200 @@ +"""Detect pockets using a field of points.""" + +from typing import Any + +from collections.abc import MutableMapping, Sequence + +import MDAnalysis as mda +from loguru import logger + +from ..fop.clean import remove_convex_fop, remove_fop_atom_clash +from ..fop.cluster import cluster_fop +from ..fop.compute import get_fop_inputs +from ..fop.gen import gen_fop +from ..utils.spatial import calculate_distance_two_points +from .utils import link_resnames + + +def get_fop_pocket( + protein: Sequence[Sequence[float]], + pocket_c_alphas: Sequence[Sequence[float]], + center: Sequence[float], + resolution: float, + radius: float, + clustering_model: type | None = None, + clustering_kwargs: MutableMapping[str, Any] | None = None, +) -> Sequence[Sequence[float]]: + """Calculate the field of points (FOP) for a pocket. + + This function generates a field of points (FOP) representing the shape + of a pocket using the provided protein and alpha carbon coordinates. + It applies several processing steps including removing steric clashes + and clustering. + + Args: + protein: XYZ coordinates of protein atoms. + pocket_c_alphas: XYZ coordinates of all alpha carbons in the pocket. + center: XYZ center of the pocket. + resolution: Resolution for the FOP. + radius: Radius of sphere for FOP. + clustering_model: Scikit-learn clustering model class to use. + clustering_kwargs: Keyword arguments for `clustering_model` initialization. + + Returns: + Pocket shape as a field of points. + + Example: + >>> protein_coords = [[1.0, 2.0, 3.0], [4.0, 5.0, 6.0]] + >>> alpha_carbons = [[1.1, 2.1, 3.1], [4.1, 5.1, 6.1]] + >>> center = [2.0, 3.0, 4.0] + >>> resolution = 0.5 + >>> radius = 5.0 + >>> fop = get_fop_pocket(protein_coords, alpha_carbons, center, resolution, radius) + >>> print(f"Field of Points: {fop}") + """ + # Generate the initial FOP and snapped center + fop_pocket, fop_center = gen_fop(center, resolution, radius) + + # Trim protein atoms to those within the FOP sphere + trimmed_coords_protein = [ + x for x in protein if calculate_distance_two_points(x, fop_center) < radius + ] + + # Remove points in FOP that have steric clashes with protein + fop_pocket = remove_fop_atom_clash(fop_pocket, trimmed_coords_protein) + + # Remove points outside the convex hull created by the alpha carbons in the pocket + fop_pocket = remove_convex_fop(fop_pocket, pocket_c_alphas) + + # Cluster the FOP points if a clustering model is provided + fop_pocket = cluster_fop( + fop_pocket, + clustering_model=clustering_model, + clustering_kwargs=clustering_kwargs, + ) + + return fop_pocket + + +def get_fop_pocket_convenience( + atoms_frame: mda.AtomGroup, + subpex_config: "SubpexConfig", # type: ignore # noqa: F821 + *args: Any, + **kwargs: Any, +) -> Sequence[Sequence[float]]: + """Convenience function for getting the FOP for a pocket. + + This function simplifies the process of calculating the field of points + (FOP) for a pocket using a simulation frame and the SuPEx configuration. + + Args: + atoms_frame: Trajectory frame to analyze. + subpex_config: SuPEx configuration containing selection strings and other parameters. + *args: Additional positional arguments. + **kwargs: Additional keyword arguments. + + Returns: + Pocket shape as a field of points. + + Example: + >>> u = mda.Universe("topology.pdb", "trajectory.dcd") + >>> frame = u.select_atoms("protein") + >>> config = SubpexConfig(pocket=PocketConfig(selection_str="protein")) + >>> fop = get_fop_pocket_convenience(frame, config) + >>> print(f"Field of Points: {fop}") + """ + inputs = get_fop_inputs( + atoms_frame=atoms_frame, + pocket_selection=subpex_config.pocket.selection_str, + subpex_config=subpex_config, + ) + return get_fop_pocket(**inputs) + + +def get_residues_in_pocket( + u: mda.Universe, center: Sequence[float], radius: float, resnames: Sequence[str] +) -> mda.AtomGroup: + """Get residues within the pocket. + + Args: + u: MDAnalysis universe containing the protein. + center: XYZ coordinates of the pocket center. + radius: Radius of the pocket to be considered. + resnames: Residue names for selection. + + Returns: + mda.AtomGroup: AtomGroup of residues within the pocket. + """ + selection_str = f"point {center[0]} {center[1]} {center[2]} {radius} and ({link_resnames(resnames, linker='or')})" + return u.select_atoms(selection_str) + + +def get_pocket_selection( + u: mda.Universe, + center: Sequence[float], + radius: float, + water_dist: float = 6.7, + water_resnames: Sequence[str] = ["WAT", "HOH", "H2O"], + selection_append: str = "and (not name H*)", +) -> str: + """Get the initial selection of the pocket based on the specified radius. + + This function identifies the initial selection of pocket residues based + on a user-specified radius, and optionally considers distance from water molecules + as an approximation of surface residues. + + Args: + universe: MDA universe containing the protein. + center: XYZ coordinates of the pocket center. + radius: Radius of the pocket to be considered. + water_dist: Constraint to use for proximity to calculate surface residues. + water_resnames: Residue names for water molecules. + selection_append: String to append to pocket selection. By default we exclude + hydrogen atoms. + + Returns: + Selection string of the pocket as used in MDAnalysis. + + Example: + >>> u = mda.Universe("topology.pdb", "trajectory.dcd") + >>> center = [10.0, 10.0, 10.0] + >>> radius = 5.0 + >>> selection = get_pocket_selection(u, center, radius) + >>> print(f"Pocket selection: {selection}") + + Note: + If water molecules are found within `radius` of the pocket center, we will + try to limit the pocket residues to those near the surface. We approximate + Residues are included if they are within `water_dist` away from any water + molecule. + """ + residues_pocket = u.select_atoms( + f"protein and point {center[0]} {center[1]} {center[2]} {radius}" + ) + water_in_pocket = get_residues_in_pocket(u, center, radius, water_resnames) + + if len(water_in_pocket.residues) == 0: + logger.warning("There are no water molecules to obtain distances") + logger.warning("Some buried residues may end up in the pocket selection") + pocket_residues = list( + set(residue.resid for residue in residues_pocket.residues) + ) + selection_pocket = " or ".join(f"resid {resid}" for resid in pocket_residues) + else: + list_close_water = [] + for water_residue in water_in_pocket.residues: + water = u.select_atoms(f"resid {water_residue.resid}") + for protein_residue in residues_pocket.residues: + residue = u.select_atoms(f"resid {protein_residue.resid}") + distance = calculate_distance_two_points( + water.center_of_geometry(), residue.center_of_geometry() + ) + if ( + distance < water_dist + and protein_residue.resid not in list_close_water + ): + list_close_water.append(protein_residue.resid) + selection_pocket = " or ".join(f"resid {resid}" for resid in list_close_water) + + selection_pocket += " " + selection_append + return selection_pocket diff --git a/subpex/pocket/selection.py b/subpex/pocket/selection.py new file mode 100644 index 0000000..ac0e8dc --- /dev/null +++ b/subpex/pocket/selection.py @@ -0,0 +1,84 @@ +import argparse +from collections.abc import Sequence + +import MDAnalysis as mda + +from ..configs import SubpexConfig +from ..fop.io import write_fop +from .detect import get_fop_pocket + + +def get_pocket_selection_string(subpex_config: SubpexConfig) -> str: + pocket_selection_mda = subpex_config.pocket.selection_mda_str + pocket_selection_resids = subpex_config.pocket.selection_resids + pocket_water_dist = subpex_config.pocket.water_dist + if pocket_selection_mda is not None: + pocket_selection_str = pocket_selection_mda + elif pocket_selection_resids is not None: + pocket_selection_str = "resid " + " or resid ".join( + [str(i) for i in pocket_selection_resids] + ) + elif pocket_water_dist: + # Define the pocket atoms as all atoms that are at a radius distance of the center point as defined by the user. + # TODO: Write selection string for this based on distance. + raise NotImplementedError("Distance pocket selection is not yet implemented") + else: + raise RuntimeError( + "One of MDA, residue IDs, or distance pocket criteria must be specified" + ) + if subpex_config.pocket.selection_append is not None: + pocket_selection_str += " " + subpex_config.pocket.selection_append + if subpex_config.pocket.selection_write is not None: + with open(subpex_config.pocket.selection_write, "w", encoding="utf-8") as f: + f.write(pocket_selection_str) + + return pocket_selection_str + + +def get_fop_ref( + pocket_selection_str: str, subpex_config: SubpexConfig +) -> Sequence[Sequence[float]]: + ref_universe = mda.Universe(subpex_config.pocket.ref_pdb_path) + reference = ref_universe.select_atoms("protein") + # use selection pocket string to select the pocket and generate the reference field of points (FOP) + pocket_reference = ref_universe.select_atoms(pocket_selection_str) + reference_coordinates = reference.positions + reference_alpha = pocket_reference.select_atoms("name CA").positions + if subpex_config.pocket.center is None: + raise RuntimeError("The pocket center must be specified.") + reference_fop = get_fop_pocket( + protein=reference_coordinates, + pocket_c_alphas=reference_alpha, + center=subpex_config.pocket.center, + resolution=subpex_config.pocket.resolution, + radius=subpex_config.pocket.radius, + ) + return reference_fop + + +def run_pocket_selection(subpex_config: SubpexConfig) -> None: + pocket_selection_str = get_pocket_selection_string(subpex_config) + reference_fop = get_fop_ref(pocket_selection_str, subpex_config) + if subpex_config.pocket.ref_fop_write is not None: + write_fop(reference_fop, subpex_config) + + +def cli_run_detect_pocket_selection(): + parser = argparse.ArgumentParser( + description="Obtain FOP for the reference structure" + ) + parser.add_argument( + "--yaml", + type=str, + nargs="+", + help="Paths to YAML files to use for SubpexContext in decreasing precedence.", + ) + args = parser.parse_args() + + subpex_config = SubpexConfig() + if args.yaml is not None: + args.yaml = [] + for yaml_path in reversed(args.yaml): + subpex_config.from_yaml(yaml_path) + + run_pocket_selection(subpex_config) diff --git a/subpex/pocket/utils.py b/subpex/pocket/utils.py new file mode 100644 index 0000000..405467d --- /dev/null +++ b/subpex/pocket/utils.py @@ -0,0 +1,23 @@ +from typing import Sequence + + +def link_resnames(resnames: Sequence[str], linker: str = "or") -> str: + """Convert a list of residue names into a formatted selection string. + + Args: + resnames: List of residue names to string together. + linker: String to link (e.g., put between) residue names. + + Returns: + str: Formatted selection string. + + Example: + >>> resnames = ["WAT", "HOH", "H2O"] + >>> formatted_string = format_resnames(resnames) + >>> print(formatted_string) + resname WAT or resname HOH or resname H2O + >>> formatted_string = format_resnames(resnames, linker="and") + >>> print(formatted_string) + resname WAT and resname HOH and resname H2O + """ + return f" {linker} ".join(f"resname {resname}" for resname in resnames) diff --git a/subpex/protein/__init__.py b/subpex/protein/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/subpex/protein/compute.py b/subpex/protein/compute.py new file mode 100644 index 0000000..3f7652f --- /dev/null +++ b/subpex/protein/compute.py @@ -0,0 +1,41 @@ +from typing import Any + +import MDAnalysis as mda +from MDAnalysis.analysis import align + +from ..utils.spatial import get_rmsd + + +def get_backbone_rmsd( + atoms_ref: mda.AtomGroup, + subpex_config: "SubpexConfig", # noqa: F821 + atoms_frame: mda.AtomGroup, + *args: Any, + **kwargs: Any +) -> float: + """ + Compute the Root Mean Square Deviation (RMSD) of the backbone atoms between + two molecular dynamics frames after alignment. + + This function aligns the backbone atoms of the current frame to a reference frame + and then calculates the RMSD between the aligned structures. It uses the MDAnalysis + library for alignment and the `get_rmsd` function for RMSD calculation. + + Args: + atoms_ref: An MDAnalysis AtomGroup object representing the reference structure. + atoms_frame: An MDAnalysis AtomGroup object representing the + current frame to be aligned and compared. + + Returns: + float: The RMSD value between the backbone atoms of the reference and current frame. + + Example: + >>> import MDAnalysis as mda + >>> u = mda.Universe('topology.psf', 'trajectory.dcd') + >>> ref = mda.Universe('reference.pdb') + >>> rmsd = get_backbone_rmsd(ref, u) + >>> print(f"Backbone RMSD: {rmsd:.2f}") + """ + align.alignto(atoms_frame, atoms_ref, select="backbone") + rmsd = get_rmsd(atoms_ref.positions, atoms_frame.positions) + return float(rmsd) diff --git a/subpex/scripts/sp_restart.py b/subpex/scripts/sp_restart.py new file mode 100755 index 0000000..120fa6e --- /dev/null +++ b/subpex/scripts/sp_restart.py @@ -0,0 +1,35 @@ +"""Simple wrapper around bash script.""" + +import argparse +import os +import subprocess + +current_dir = os.path.dirname(os.path.realpath(__file__)) + +# Path to the Bash script relative to the current Python script +bash_script_path = os.path.join(current_dir, "sp_restart.sh") + + +def main(): + parser = argparse.ArgumentParser( + description="Restart SubPEx simulation with options." + ) + parser.add_argument( + "-n", "--generation", type=int, help="Generation number for truncation" + ) + parser.add_argument("-e", "--env", type=str, help="Conda environment to activate") + args = parser.parse_args() + + # Build the command to run the Bash script with the necessary arguments + command = [bash_script_path] + if args.generation is not None: + command.extend(["-n", str(args.generation)]) + if args.env is not None: + command.extend(["-e", str(args.env)]) + + # Execute the Bash script + subprocess.run(command, check=True) + + +if __name__ == "__main__": + main() diff --git a/utils/restart_subpex.sh b/subpex/scripts/sp_restart.sh similarity index 50% rename from utils/restart_subpex.sh rename to subpex/scripts/sp_restart.sh index 1a52e02..494119b 100755 --- a/utils/restart_subpex.sh +++ b/subpex/scripts/sp_restart.sh @@ -1,29 +1,11 @@ -#!/bin/bash +#!/usr/bin/env bash # This script prepares the restart of a SubPEx simulation (or any WESTPA # simulation) without loosing any information. -while getopts ":n:e:h" flag -do - case "${flag}" in - n) - GEN=$OPTARG - ;; - e) - conda activate $OPTARG - ;; - h) - echo "Usage: restart_subpex.sh [options] -n [GENERATION]" - echo " " - echo "This script automates the truncation of the west.h5 file. It must be run from WEST_HOME" - echo "It does the following:" - echo " - saves a copy of the original west.h5 for safe keeping" - echo " - moves the iterations starting from the trucated one to the reference directory" - echo " - moves the binbounds.txt file to a new file" - exit 1 - ;; - esac -done +# Assumes -n is always passed if script is called. + +GEN=$1 # Get the generation number directly from the script argument # If west.h5 exists if [ -f west.h5 ]; then @@ -41,7 +23,7 @@ LASTITERNUM=$((10#$LASTITER)) # Move all the generations that were trucated for i in $(seq -f "%06g" $GEN $LASTITERNUM) -do +do TRAJSEGDEST="reference/$i" # Does the directory exist? if [ -d $TRAJSEGDEST ]; then diff --git a/subpex/setup/__init__.py b/subpex/setup/__init__.py new file mode 100644 index 0000000..a796b50 --- /dev/null +++ b/subpex/setup/__init__.py @@ -0,0 +1 @@ +from .wizard import run_wizard diff --git a/subpex/setup/render.py b/subpex/setup/render.py new file mode 100644 index 0000000..a074147 --- /dev/null +++ b/subpex/setup/render.py @@ -0,0 +1,106 @@ +"""Assist with rendering templates""" + +import argparse +import os +import re +import sys +from collections.abc import Sequence + +from jinja2 import Template + +from .. import DIR_TEMPLATE +from ..configs import SubpexConfig, WestpaConfig + +SLURM_TEMPLATE_PATH = os.path.join(DIR_TEMPLATE, "workload_managers/job.sbatch") + + +def load_template(file_path: str) -> str: + with open(file_path, "r", encoding="utf-8") as f: + return f.read() + + +def clean_render(render_string: str) -> str: + # Remove leading and trailing whitespace + text = render_string.strip() + # Replace multiple consecutive empty lines with a single empty line + text = re.sub(r"\n\s*\n+", "\n\n", text) + # Ensure there is exactly one trailing newline + return text + "\n" + + +def slurm( + subpex_config: SubpexConfig, + file_name: str | None = None, + save_dir: str | None = None, +) -> Sequence[str]: + """Render slurm sbatch script. + + Args: + subpex_config: SubPEx context manager. + file_name: Name for the file including the extension. + save_dir: Directory to save rendered file. + """ + if file_name is None: + file_name = "job.sbatch" + + template = Template(load_template(SLURM_TEMPLATE_PATH)) + + rendered_file = template.render(**subpex_config.dict()) + rendered_file = clean_render(rendered_file) + + if save_dir is not None: + save_path = os.path.join(save_dir, file_name) + with open(save_path, "w", encoding="utf-8") as f: + f.write(rendered_file) + + return rendered_file + + +def west_cfg( + westpa_cm: WestpaConfig, + file_name: str = "west.cfg", + save_dir: str = "", +) -> None: + """Writes `west.cfg` file for WESTPA simulations.""" + westpa_cm.to_yaml(file_path=os.path.join(save_dir, file_name)) + + +def cli_renderer(): + parser = argparse.ArgumentParser(description="Render templates provided by SubPEx.") + parser.add_argument( + "function_name", + type=str, + help="Rendering function to use in `subpex.setup.render`.", + ) + parser.add_argument( + "--name", type=str, help="File name including the file extension." + ) + parser.add_argument("--save_dir", type=str, help="Directory to save rendered file.") + parser.add_argument( + "--yaml", + type=str, + nargs="+", + help="Paths to YAML files to use for SubpexContext in decreasing precedence.", + ) + args = parser.parse_args() + + if args.function_name == "west_cfg": + cm: WestpaConfig | SubpexConfig = WestpaConfig() + elif args.function_name in ["slurm"]: + cm = SubpexConfig() + else: + raise ValueError(f"Could not find function with name {args.function_name}") + if args.yaml is None: + args.yaml = [] + for yaml_path in reversed(args.yaml): + cm.from_yaml(yaml_path) + + if args.save_dir is None: + args.save_dir = "" + + current_module = sys.modules[__name__] + renderer = getattr(current_module, args.function_name, None) + if callable(renderer): + return renderer(cm, args.name, args.save_dir) + else: + raise ValueError(f"No callable function named '{args.function_name}' found.") diff --git a/subpex/setup/westpa/__init__.py b/subpex/setup/westpa/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/subpex/setup/westpa/main.py b/subpex/setup/westpa/main.py new file mode 100644 index 0000000..2008bf8 --- /dev/null +++ b/subpex/setup/westpa/main.py @@ -0,0 +1,80 @@ +import argparse +import os +import sys + +from loguru import logger + +from ...configs import SubpexConfig, WestpaConfig + + +def run_westpa_setup( + subpex_config: SubpexConfig, + westpa_config: WestpaConfig, + write_dir: str = "", + overwrite: bool = False, +) -> None: + """Setup WESTPA simulation. + + Args: + write_dir: Path to directory to initialize simulations. + """ + if os.path.exists(write_dir): + logger.info(f"Directory at {write_dir} exists") + if overwrite: + logger.info("Overwrite is `True`") + else: + logger.error("Overwrite is `False`") + logger.error("Aborting") + sys.exit(1) + + logger.info(f"Creating directory at {write_dir}") + os.makedirs(write_dir, exist_ok=True) + + logger.info("Creating all necessary directories") + logger.debug(" - Creating bstates") + os.makedirs(os.path.join(write_dir, "bstates")) + + +def cli_run_westpa_setup(): + # Get arguments and load json settings file. + parser = argparse.ArgumentParser( + description="Initialize WESTPA simulation for SubPEx purposes." + ) + parser.add_argument( + "--write_dir", + type=str, + default="", + help="Directory to write input files.", + ) + parser.add_argument( + "--yaml_subpex", + type=str, + nargs="+", + help="Paths to YAML files to use for subpex config in decreasing precedence.", + ) + parser.add_argument( + "--yaml_westpa", + type=str, + nargs="+", + help="Paths to YAML files to use for westpa config in decreasing precedence.", + ) + parser.add_argument( + "--overwrite", + action="store_true", + help="Remove and overwrite directory", + ) + args = parser.parse_args() + + subpex_config = SubpexConfig() + if args.yaml_subpex is None: + args.yaml_subpex = [] + for yaml_path in reversed(args.yaml_subpex): + subpex_config.from_yaml(yaml_path) + + westpa_config = WestpaConfig() + if args.yaml_westpa is None: + args.yaml_westpa = [] + for yaml_path in reversed(args.yaml_westpa): + westpa_config.from_yaml(yaml_path) + + run_westpa_setup(subpex_config, westpa_config, args.write_dir) diff --git a/subpex/setup/wizard.py b/subpex/setup/wizard.py new file mode 100644 index 0000000..ed92891 --- /dev/null +++ b/subpex/setup/wizard.py @@ -0,0 +1,620 @@ +# The programs helps set up the SubPEx run. Runs only on linux. + +from typing import Tuple + +import glob +import os +import re +import sys + +import yaml +from loguru import logger + +CUR_PATH = os.path.abspath(os.path.dirname(__file__)) +PYTHON_EXE = os.path.abspath(sys.executable) +YAML_LOADER = yaml.SafeLoader +STEP_NUM = 1 +TEST_MODE = False + + +def get_step_num() -> str: + """Returns current step number. + + Returns: + str: Current step number. + """ + + global STEP_NUM + STEP_NUM = STEP_NUM + 1 + return str(STEP_NUM - 1) + + +def get_prelim_sim_files(engine: str) -> None: + """Asks user for preliminary (equilibrated) simulation files. + + Args: + engine (str): MD engine to use. "amber" or "namd" + """ + + logger.info(f"STEP {get_step_num()}: Preliminary MD files", "-") + logger.info( + "SubPEx assumes you have already run preliminary simulations to equilibrate your system. Where are the coordinate and restart files associated with these preliminary simulations?" + ) + + logger.info( + "(Note that you can press Ctrl-Z to pause the wizard and search for the file. Type `fg` to resume the wizard when done.)" + ) + + if TEST_MODE: + logger.info( + "Downloading Amber .nc, .rst, and .prmtop files for testing (test mode)." + ) + coor_file = download_testing_files("mol.nc") + restart_files = [download_testing_files("mol.rst")] + prmtop_file = download_testing_files("mol.prmtop") + enter_to_continue() + else: + if engine == "amber": + coor_file = get_choice( + "coor_file", lambda: file_path("Amber .nc file", ".nc") + ) + restart_files = [ + get_choice( + "restart_files", lambda: file_path("Amber .rst file", ".rst") + ) + ] + elif engine == "namd": + coor_file = get_choice( + "coor_file", lambda: file_path("NAMD .dcd file", ".dcd") + ) + + restart_files = [ + get_choice("_ignore", lambda: file_path(f"NAMD {ext} file", ext)) + for ext in [".xsc", ".coor", ".inpcrd"] + ] + + # save_choice("restart_files", restart_files) + + prmtop_file = get_choice( + "prmtop_file", lambda: file_path("Parameter (.prmtop) file", ".prmtop") + ) + + run_cmd(["rm", "-f", f"{CUR_PATH}/reference/mol.*"]) + link_to_reference_mol(coor_file) + for restart_file in restart_files: + link_to_reference_mol(restart_file) + link_to_reference_mol(prmtop_file) + clear() + + +def get_sim_last_frame() -> None: + """Asks user for the last frame of the preliminary simulation.""" + + logger.info(f"STEP {get_step_num()}: Preliminary MD last frame", "-") + logger.info( + "SubPEx needs the last frame of the preliminary trajectory as a `pdb` file. You can use programs such as VMD to save the last frame." + ) + + if TEST_MODE: + logger.info("Downloading Amber .pdb file for testing (test mode).") + last_frame_file = download_testing_files("mol.pdb") + enter_to_continue() + else: + last_frame_file = get_choice( + "last_frame_file", lambda: file_path("Last-frame .pdb file", ".pdb") + ) + + link_to_reference_mol(last_frame_file) + clear() + + +def update_westcfg_path_vars(westcfg: str) -> str: + """Updates the path variables in the west.cfg file. + + Args: + westcfg (str): contents of the west.cfg file as a string. + + Returns: + str: updated west.cfg file as a string. + """ + + westcfg = re.sub( + r"\bselection_file: .*?$", + f"selection_file: {CUR_PATH}/reference/selection_string.txt", + westcfg, + flags=re.MULTILINE, + ) + + westcfg = re.sub( + r"\btopology: .*$", + f"topology: {CUR_PATH}/reference/mol.prmtop", + westcfg, + flags=re.MULTILINE, + ) + + westcfg = re.sub( + r"\bwest_home: .*$", f"west_home: {CUR_PATH}", westcfg, flags=re.MULTILINE + ) + + westcfg = re.sub( + r"\breference: .*$", + f"reference: {CUR_PATH}/reference/mol.pdb", + westcfg, + flags=re.MULTILINE, + ) + + westcfg = re.sub( + r"\breference_fop: .*$", + f"reference_fop: {CUR_PATH}/reference/fop_ref.xyz", + westcfg, + flags=re.MULTILINE, + ) + + return westcfg + + +def pick_pcoord(westcfg: str) -> Tuple[str, str]: + """Asks user to pick a progress coordinate. + + Args: + westcfg (str): contents of the west.cfg file as a string. + + Returns: + Tuple[str, str]: Tuple containing the updated west.cfg file as a string + and the progress coordinate name. + """ + + logger.info(f"STEP {get_step_num()}: Progress coordinate", "-") + logger.info("Which progress coordinate would you like to use?") + logger.info( + "composite: combination of pocket and back-bone RMSD (recommended)\nprmsd: RMSD of pocket-lining atoms (not officially supported)\nbb: RMSD of all back-bone atoms (not officially supported)\njd: Jaccard distance between pocket shapes (not officially supported)" + ) + + if TEST_MODE: + logger.info("Using composite progress coordinate (test mode).") + pcoord = "composite" + enter_to_continue() + else: + pcoord = get_choice( + "pcoord", + lambda: choice( + "Which progress coordinate?", + choices=["composite", "p_rmsd", "bb_rmsd", "jd", ""], + ), + ) + + westcfg = re.sub( + r"(\bpcoord:\s*\n\s*- ).*$", r"\1" + pcoord, westcfg, flags=re.MULTILINE + ) + + clear() + return westcfg, pcoord + + +def specify_number_iterations(westcfg: str) -> str: + """Asks user to specify the number of iterations. + + Args: + westcfg (str): contents of the west.cfg file as a string. + + Returns: + str: updated west.cfg file as a string. + """ + + logger.info(f"STEP {get_step_num()}: Number of iterations (generations)", "-") + logger.info( + "SubPEx periodically prunes and duplicates short simulations (walkers) to encourage sampling. How many times (iterations/generations) should SubPEx perform this pruning/duplication before stopping? (Recommendation: 30)" + ) + + if TEST_MODE: + logger.info("Using 3 iterations (test mode).") + iterations = 3 + enter_to_continue() + else: + iterations = int( + get_choice("iterations", lambda: get_number("Number of iterations")) + ) + + westcfg = re.sub( + r"\bmax_total_iterations: .*$", + f"max_total_iterations: {iterations}", + westcfg, + flags=re.MULTILINE, + ) + + clear() + return westcfg + + +def define_pocket(westcfg: str) -> str: + """Asks user to define the binding pocket. + + Args: + westcfg (str): contents of the west.cfg file as a string. + + Returns: + str: updated west.cfg file as a string. + """ + + logger.info(f"STEP {get_step_num()}: Define the binding pocket", "-") + logger.info( + "You must define the location of the binding pocket you wish to sample. Visual inspection (e.g., using VMD) is often useful for this step. See README.md for more suggestions." + ) + + logger.info( + f"Be sure to specify the location of the pocket relative to the reference PDB file: {CUR_PATH}/reference/mol.pdb" + ) + + if TEST_MODE: + logger.info( + "Using default pocket: radius = 6.5, center = [30.0, 41.5, 30.4] (test mode)." + ) + pocket_radius = 6.5 + x_coor = 30.0 + y_coor = 41.5 + z_coor = 30.4 + enter_to_continue() + else: + pocket_radius = get_choice("pocket_radius", lambda: get_number("Pocket radius")) + x_coor = get_choice( + "x_coor", lambda: get_number("X coordinate of pocket center") + ) + y_coor = get_choice( + "y_coor", lambda: get_number("Y coordinate of pocket center") + ) + z_coor = get_choice( + "z_coor", lambda: get_number("Z coordinate of pocket center") + ) + + westcfg = re.sub( + r"\bcenter: \[.*\]", + f"center: [{str(x_coor)}, {str(y_coor)}, {str(z_coor)}]", + westcfg, + flags=re.MULTILINE, + ) + + westcfg = re.sub( + r"\bradius: .*$", f"radius: {str(pocket_radius)}", westcfg, flags=re.MULTILINE + ) + + with open("west.cfg", "w") as f: + f.write(westcfg) + + run_cmd(["rm", "-f", f"{CUR_PATH}/reference/fop_ref.xyz"]) + run_cmd(["rm", "-f", f"{CUR_PATH}/reference/selection_string.txt"]) + run_cmd([PYTHON_EXE, "./westpa_scripts/get_reference_fop.py", "west.cfg"]) + if not os.path.exists(f"{CUR_PATH}/reference/fop_ref.xyz") or not os.path.exists( + f"{CUR_PATH}/reference/selection_string.txt" + ): + logger.info( + ( + ( + "ERROR: Could not generate reference-fop file (fop_ref.xyz) and/or selection-string file (selection_string.txt) in the directory " + + CUR_PATH + ) + + "/reference/" + ) + ) + + logger.info( + "Are you sure the center and radius specified encompass at least some of the pocket-lining residues?" + ) + + sys.exit(1) + clear() + westcfg = check_pocket(westcfg) + return westcfg + + +def check_pocket(westcfg: str) -> str: + """Asks user to check the binding pocket. + + Args: + westcfg (str): contents of the west.cfg file as a string. + + Returns: + str: updated west.cfg file as a string. + """ + + logger.info(f"STEP {get_step_num()}: Check the binding pocket", "-") + logger.info( + f"The wizard has generated a pocket-field-of-points (fop) file ({CUR_PATH}/reference/fop_ref.xyz) and a selection-string file ({CUR_PATH}/reference/selection_string.txt)." + ) + + logger.info("Please visually inspect these files to:") + logger.info( + "1. Ensure that the points in fop_ref.xyz entirely fill the pocket of interest." + ) + + logger.info( + "2. Ensure that the residues described in selection_string.txt truly line the pocket of interest." + ) + + logger.info( + "(Note that the popular molecular visualization program VMD can load xyz files and select residues." + ) + + if TEST_MODE: + logger.info("Assuming pocket correct (test mode).") + enter_to_continue() + elif choice("Can you confirm the pocket is properly defined?") == "n": + clear() + forget_choice("pocket_radius") + forget_choice("x_coor") + forget_choice("y_coor") + forget_choice("z_coor") + westcfg = define_pocket(westcfg) + clear() + return westcfg + + +def update_envsh(envsh: str, engine: str) -> str: + """Asks user to update the env.sh file. + + Args: + envsh (str): contents of the env.sh file as a string. + engine (str): engine to use. + + Returns: + str: updated env.sh file as a string. + """ + + logger.info(f"STEP {get_step_num()}: Update env.sh", "-") + envsh = re.sub( + r'^export ENGINE=".*?"', + f'export ENGINE="{engine.upper()}"', + envsh, + flags=re.MULTILINE, + ) + + if TEST_MODE: + logger.info("Using GPU (test mode).") + mode = "GPU" + enter_to_continue() + else: + mode = get_choice( + "mode", + lambda: choice( + "How will you run SubPEx (only GPU officially supported)?", + choices=["GPU", "MPI", "MULTITHREAD"], + ), + ) + + envsh = re.sub( + r'^export MODE=".*?"', + f'export MODE="{mode.upper()}"', + envsh, + flags=re.MULTILINE, + ) + + clear() + return envsh + + +def define_adaptive_bins(adaptivepy: str, pcoord: str) -> str: + """Asks user to define the adaptive bins. + + Args: + adaptivepy (str): contents of the adaptive.py file as a string. + pcoord (str): progress coordinate to use. + + Returns: + str: updated adaptive.py file as a string. + """ + + # If pcoord is "jd", max is 1.0. + logger.info(f"STEP {get_step_num()}: Define adaptive bins", "-") + logger.info( + "SubPEx uses WESTPA to enhance the sampling of your pocket. A progress coordinate assesses the extent of sampling. This progress coordinate is divided into bins, and WESTPA works to make sure the simulations collectively sample all bins equally." + ) + + logger.info(f"You previously selected the progress coordinate: {pcoord}") + if pcoord == "jd": + maxcap = 1.0 + save_choice("maxcap", maxcap) + else: + logger.info( + "What is the maximum value of the progress coordinate beyond which SubPEx should no longer enhance sampling (in Angstroms)? We recommend 5." + ) + + if TEST_MODE: + logger.info("Using 5.0 (test mode).") + maxcap = 5.0 + enter_to_continue() + else: + maxcap = get_choice("maxcap", lambda: get_number("Maximum value")) + + logger.info("\nHow many bins would you like to use? We recommend 15.") + + if TEST_MODE: + logger.info("Using 15 bins (test mode).") + binsperdim = 15 + enter_to_continue() + else: + binsperdim = get_choice("binsperdim", lambda: int(get_number("Bin count"))) + + logger.info( + "\nHow many walkers (mini simulations) would you like run per bin? Using more improves sampling at the cost of computer resources. We recommend 3." + ) + + if TEST_MODE: + logger.info("Using 3 walkers per bin (test mode).") + bintargetcount = 3 + enter_to_continue() + else: + bintargetcount = get_choice( + "bintargetcount", lambda: int(get_number("Number of walkers per bin")) + ) + + adaptivepy = re.sub( + r"^maxcap\s*=\s*\[.*\]", + f"maxcap = [{str(maxcap)}]", + adaptivepy, + flags=re.MULTILINE, + ) + + adaptivepy = re.sub( + r"^binsperdim\s*=\s*\[.*\]", + f"binsperdim = [{str(binsperdim)}]", + adaptivepy, + flags=re.MULTILINE, + ) + + adaptivepy = re.sub( + r"^bintargetcount\s*=\s*\d*", + f"bintargetcount = {str(bintargetcount)}", + adaptivepy, + flags=re.MULTILINE, + ) + + clear() + return adaptivepy + + +def update_run_time_and_job_name(westcfg: str) -> str: + """Asks user to update the run time and job name. + + Args: + westcfg (str): contents of the west.cfg file as a string. + + Returns: + str: updated west.cfg file as a string. + """ + + logger.info(f"STEP {get_step_num()}: Update job run time and name", "-") + + logger.info( + "How long should your SubPEx job run? (Format your response like HH:MM:SS, e.g., 72:00:00 for 72 hours)" + ) + if TEST_MODE: + logger.info("Using 72:00:00 (test mode).") + run_time = "72:00:00" + enter_to_continue() + else: + run_time = get_choice("run_time", lambda: get_time("Run time")) + + logger.info('\nWhat is the name of your SubPEx job? (e.g., "my_job")') + + if TEST_MODE: + logger.info('Using "subpex_job" (test mode).') + job_name = "subpex_job" + enter_to_continue() + else: + job_name = get_choice("job_name", lambda: input("Job name: ").replace('"', "")) + + westcfg = re.sub( + r"\bmax_run_wallclock:\s*\d{1,2}:\d{1,2}:\d{1,2}\b", + f"max_run_wallclock: {run_time}", + westcfg, + flags=re.MULTILINE, + ) + + for submit_file in glob.glob("aux_scripts/run.slurm*.sh"): + with open(submit_file) as f: + runsh = f.read() + runsh = re.sub( + r"^#SBATCH --time=.*$", + f"#SBATCH --time={run_time}", + runsh, + flags=re.MULTILINE, + ) + runsh = re.sub( + r"^#SBATCH --job-name=.*$", + f"#SBATCH --job-name={job_name}", + runsh, + flags=re.MULTILINE, + ) + with open(submit_file, "w", encoding="utf-8") as f: + f.write(runsh) + + clear() + return westcfg + + +def run_init() -> str: + """Runs the init.sh script to initialize the SubPEx run. + + Returns: + str: contents of the west.cfg file as a string. + """ + + logger.info(f"STEP {get_step_num()}: Initialize the SubPEx run", "-") + if os.path.exists("west.h5"): + logger.info( + "Would you like to clear the previous SubPEx run? WARNING: This will delete previously generated files, erasing the previous results so you can start a fresh SubPEx run." + ) + + if choice("Delete previous run and start over") == "y": + print("") + run_cmd(["rm", "-f", "./job_logs/*"]) + run_cmd(["rm", "-f", "west.h5"]) + run_cmd(["./init.sh"]) + if not os.path.exists("west.h5"): + logger.info("ERROR: Could not initialize the SubPEx run.") + sys.exit(1) + else: + clear() + else: + run_cmd(["rm", "-f", "./job_logs/*"]) + run_cmd(["./init.sh"]) + if not os.path.exists("west.h5"): + logger.info("ERROR: Could not initialize the SubPEx run.") + sys.exit(1) + else: + clear() + return westcfg + + +def run_wizard(): + # Load files + with open("./west.cfg", "r", encoding="utf-8") as f: + westcfg = f.read() + + with open("./adaptive_binning/adaptive.py", "r", encoding="utf-8") as f: + adaptivepy = f.read() + + with open("./westpa_scripts/get_pcoord.sh", "r", encoding="utf-8") as f: + get_pcoord = f.read() + + with open("./westpa_scripts/runseg.sh", "r", encoding="utf-8") as f: + runseg = f.read() + + with open("./env.sh", "r", encoding="utf-8") as f: + envsh = f.read() + + if check_if_restart_sim(): + # Exit + sys.exit(0) + + check_existing_params() + confirm_environment() + confirm_dependencies() + engine, get_pcoord, runseg = amber_or_namd(get_pcoord, runseg) + get_prelim_sim_files(engine) + get_sim_last_frame() + westcfg = update_westcfg_path_vars(westcfg) + westcfg, pcoord = pick_pcoord(westcfg) + westcfg = specify_number_iterations(westcfg) + westcfg = define_pocket(westcfg) + envsh = update_envsh(envsh, engine) + adaptivepy = define_adaptive_bins(adaptivepy, pcoord) + westcfg = update_run_time_and_job_name(westcfg) + + # Save west.cfg + with open("./west.cfg", "w", encoding="utf-8") as f: + f.write(westcfg) + + with open("./adaptive_binning/adaptive.py", "w", encoding="utf-8") as f: + f.write(adaptivepy) + + with open("./westpa_scripts/get_pcoord.sh", "w", encoding="utf-8") as f: + f.write(get_pcoord) + + with open("./westpa_scripts/runseg.sh", "w", encoding="utf-8") as f: + f.write(runseg) + + with open("./env.sh", "w", encoding="utf-8") as f: + f.write(envsh) + + run_init() + finished() diff --git a/subpex/templates/workload_managers/job.sbatch b/subpex/templates/workload_managers/job.sbatch new file mode 100644 index 0000000..dc48e53 --- /dev/null +++ b/subpex/templates/workload_managers/job.sbatch @@ -0,0 +1,34 @@ +#!/bin/bash + +#SBATCH --job-name={{ job_name }} +#SBATCH --nodes={{ nodes }} +#SBATCH --ntasks-per-node={{ ntasks_per_node }} +#SBATCH --output={{ output_file }} +#SBATCH --error={{ error_file }} +#SBATCH --time={{ time }} +#SBATCH --cluster={{ cluster }} +#SBATCH --partition={{ partition }} +{% if account %} +#SBATCH --account={{ account }} +{% endif %} + +module purge +{% for module in modules %} +module load {{ module }} +{% endfor %} + +{% for key, value in env_vars.items() %} +export {{ key }}={{ value }} +{% endfor %} + +{% for command in commands_pre %} +command +{% endfor %} + +{% for command in commands_run %} +command +{% endfor %} + +{% for command in commands_post %} +command +{% endfor %} diff --git a/subpex/utils/__init__.py b/subpex/utils/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/utils/clustering.py b/subpex/utils/clustering.py similarity index 89% rename from utils/clustering.py rename to subpex/utils/clustering.py index f277e35..a9731e7 100755 --- a/utils/clustering.py +++ b/subpex/utils/clustering.py @@ -2,52 +2,28 @@ This script will generate files to cluster a SubPEx run """ -from typing import List -import MDAnalysis as mda -import glob +from typing import Any, List + import argparse import contextlib -import h5py +import glob import os import sys -import logging -import numpy as np - -currentdir = os.path.dirname(os.path.realpath(__file__)) -parentdir = os.path.dirname(currentdir) -sys.path.append(parentdir) -from westpa_scripts.pcoord import check_input_settings_file - - -def check_clustering_parameters(settings: dict) -> dict: - """Checks the clustering parameters in the settings. - - Args: - settings (dict): The settings dictionary. - - Returns: - dict: The settings dictionary. - """ - - if "clustering" not in settings or type(settings["clustering"]) is not dict: - logging.critical( - "There is a problem with the clustering parameters. Please check the settings file." - ) - sys.exit( - "There is a problem with the clustering parameters. Please check the settings file." - ) +from collections.abc import MutableMapping - # TODO finish check_clustering_parameters - return settings +import h5py +import numpy as np -def get_bins_dictionary(west: dict, settings: dict) -> dict: +def get_bins_dictionary( + west: dict, settings: MutableMapping[str, Any] +) -> MutableMapping[str, Any]: """Creates a dictionary with the bins and the walkers in each bin. - + Args: west (dict): The west.h5 file as a dictionary. settings (dict): The settings dictionary. - + Returns: dict: A dictionary with the bins and the walkers in each bin. """ @@ -77,7 +53,7 @@ def get_bins_dictionary(west: dict, settings: dict) -> dict: return bins -def calculate_clusters_per_bin(bins: dict, settings: dict): +def calculate_clusters_per_bin(bins: dict, settings: MutableMapping[str, Any]) -> None: """Calculates the number of clusters per bin. Updates bin in place. Args: @@ -112,7 +88,9 @@ def calculate_clusters_per_bin(bins: dict, settings: dict): bins[key]["clusters"] = value -def create_bin_cpptraj_files(bins: dict, settings: dict, directory: str): +def create_bin_cpptraj_files( + bins: dict, settings: MutableMapping[str, Any], directory: str +) -> None: """Creates the cpptraj files for each bin. Args: @@ -134,8 +112,12 @@ def create_bin_cpptraj_files(bins: dict, settings: dict, directory: str): def create_cpptraj_file_bins( - bins: dict, settings: dict, directory: str, key: str, selection_string: str -): + bins: dict, + settings: MutableMapping[str, Any], + directory: str, + key: str, + selection_string: str, +) -> None: """Creates the cpptraj file for a bin. Args: @@ -195,7 +177,9 @@ def get_selection_cpptraj(filename: str) -> str: return selection_string -def get_clustering_generation_cpptraj(west_file: dict, settings: dict, directory: str): +def get_clustering_generation_cpptraj( + west_file: dict, settings: MutableMapping[str, Any], directory: str +) -> None: """Creates the cpptraj files for each bin. Args: @@ -288,10 +272,10 @@ def get_generation_walkers_list(directory_gen: str) -> List[str]: def make_input_file_cpptraj( directory: str, walkers_list: List[str], - settings: dict, + settings: MutableMapping[str, Any], num_clusters: int, selection_string: str, -): +) -> None: """Creates the input file for cpptraj. Args: @@ -315,27 +299,27 @@ def get_clustering_command_cpptraj( method: str, num_clusters: int, selection_string: str ) -> str: """Creates the clustering command for cpptraj. - + Args: method (str): the clustering method to use. Currently, only hierarchical is implemented. num_clusters (int): The number of clusters to use. selection_string (str): The selection string for cpptraj. - + Returns: str: The clustering command for cpptraj. """ if method == "hierarchical": - text = """cluster C0 \ - hieragglo clusters {num_clust} averagelinkage epsilonplot epsilonplot.dat \ - dme {selection} \ - out cpptraj_cluster.dat \ - savepairdist pairdist pairdist.cpp \ - sil Sil \ - summary summary.dat \ - info info.dat \ - cpopvtime cpopvtime.agr normframe \ - repout rep repfmt pdb singlerepout singlerep.nc singlerepfmt netcdf \ + text = """cluster C0 \ + hieragglo clusters {num_clust} averagelinkage epsilonplot epsilonplot.dat \ + dme {selection} \ + out cpptraj_cluster.dat \ + savepairdist pairdist pairdist.cpp \ + sil Sil \ + summary summary.dat \ + info info.dat \ + cpopvtime cpopvtime.agr normframe \ + repout rep repfmt pdb singlerepout singlerep.nc singlerepfmt netcdf \ avgout Avg avgfmt restart""".format( num_clust=num_clusters, selection=selection_string ) @@ -377,7 +361,9 @@ def get_number_clusters_generation( return number_clusters -def get_clustering_bins_cpptraj(west: dict, settings: dict, directory: str): +def get_clustering_bins_cpptraj( + west: dict, settings: MutableMapping[str, Any], directory: str +) -> None: """Creates the input files (sh) for cpptraj to cluster the bins. Args: @@ -394,7 +380,7 @@ def get_clustering_bins_cpptraj(west: dict, settings: dict, directory: str): f.write("cpptraj.OMP -i clustering.in > clustering.log \n") -if __name__ == "__main__": +def run_clustering(): parser = argparse.ArgumentParser( description="Prepares files to run clustering on a SubPEx run via cpptraj. See 'clustering' section of west.cfg to configure further (e.g., cluster per generation or dividing the space in bins)." ) @@ -418,7 +404,6 @@ def get_clustering_bins_cpptraj(west: dict, settings: dict, directory: str): # Loading settings settings = check_input_settings_file(args.settings) - settings = check_clustering_parameters(settings) # make sure outdir exists if not, creat it if not os.path.isdir(args.dir): @@ -437,3 +422,7 @@ def get_clustering_bins_cpptraj(west: dict, settings: dict, directory: str): print("Not yet implemented") print("\nDone! See files in " + directory) + + +if __name__ == "__main__": + run_clustering() diff --git a/subpex/utils/spatial.py b/subpex/utils/spatial.py new file mode 100644 index 0000000..5fbbe55 --- /dev/null +++ b/subpex/utils/spatial.py @@ -0,0 +1,78 @@ +"""Useful utilities involving field of points.""" + +from collections.abc import Sequence + +import numpy as np +import numpy.typing as npt + + +def get_centroid(fop_pocket: Sequence[Sequence[float]]) -> Sequence[float]: + """Calculates the centroid or the center of mass for equal masses of a + field of points. + + Args: + fop_pocket: the field of points defining the pocket shape. + + Returns: + Coordinates of the pocket centroid. + """ + x = float(np.mean([x[0] for x in fop_pocket])) + y = float(np.mean([y[1] for y in fop_pocket])) + z = float(np.mean([z[2] for z in fop_pocket])) + return [x, y, z] + + +def calculate_distance_two_points( + point1: Sequence[float], point2: Sequence[float] +) -> float: + """Calculates the distance between two points in a 3D coordinate system. + + Args: + point1: coordinates of first point. [x, y, z] + point2: coordinates of second point. [x, y, z] + + Returns: + Distance between `point1` and `point2`. + """ + + distance = 0.0 + for p1, p2 in zip(point1, point2): + distance += (p1 - p2) ** 2 + + return float(np.sqrt(distance)) + + +def get_rmsd(R: npt.NDArray[np.float64], R_ref: npt.NDArray[np.float64]) -> float: + """Compute the Root Mean Square Deviation (RMSD) between two sets of atomic coordinates. + + RMSD is a measure of the average distance between atoms of two superimposed + sets of coordinates. This function calculates RMSD without any alignment or + fitting of the structures, assuming that the input arrays are already aligned. + + Args: + R (np.ndarray): A 2D array of shape (N, 3) representing the atomic coordinates. + Each row corresponds to the coordinates of one atom. + R_ref (np.ndarray): A 2D array of shape (N, 3) representing the reference atomic coordinates. + Each row corresponds to the coordinates of one atom. + + Returns: + float: The RMSD value between the two sets of atomic coordinates. + + Raises: + ValueError: If the input arrays R and R_ref do not have the same shape. + + Example: + >>> R = np.array([[1.0, 2.0, 3.0], [4.0, 5.0, 6.0]]) + >>> R_ref = np.array([[1.1, 2.1, 3.1], [4.1, 5.1, 6.1]]) + >>> get_rmsd(R, R_ref) + 0.1 + """ + if R.shape != R_ref.shape: + raise ValueError("R and R_ref must have the same shape") + + diff = R - R_ref + diff_squared = np.square(diff) + mean_diff_squared = np.mean(diff_squared) + rmsd = np.sqrt(mean_diff_squared) + + return float(rmsd) diff --git a/utils/vis_progress.py b/subpex/utils/vis_progress.py similarity index 94% rename from utils/vis_progress.py rename to subpex/utils/vis_progress.py index 9ad0628..87c4c29 100644 --- a/utils/vis_progress.py +++ b/subpex/utils/vis_progress.py @@ -1,10 +1,13 @@ from typing import List -import h5py -import numpy as np -import matplotlib.pyplot as plt + import argparse import os -from .westpa_scripts.jdistance import check_input_settings_file, check_file_exists + +import h5py +import matplotlib.pyplot as plt +import numpy as np + +from .westpa_scripts.jdistance import check_input_settings_file def rolling_average(data: List[float], window: int) -> List[float]: @@ -12,8 +15,8 @@ def rolling_average(data: List[float], window: int) -> List[float]: smaller. Args: - data (list): list of the data to obtain the rolling average. - window (int): size of the window to use. + data: list of the data to obtain the rolling average. + window: size of the window to use. Returns: average (list): list containing the rolling average. @@ -29,7 +32,7 @@ def rolling_average(data: List[float], window: int) -> List[float]: return average -def plot_num_walkers(west: h5py.File, outdir: str): +def plot_num_walkers(west: h5py.File, outdir: str) -> None: """Plots the number of walkers per iteration. The plot will be saved to the specified directory. @@ -43,7 +46,7 @@ def plot_num_walkers(west: h5py.File, outdir: str): len(west["iterations"][k]["pcoord"][()]) for k in west["iterations"].keys() ] # Plotting the num of walkers per iteration. - fig = plt.subplots(1, figsize=(10, 7)) + plt.subplots(1, figsize=(10, 7)) plt.title("Number of Walkers per iteration", fontsize=32) plt.plot( range(1, len(num_walkers) + 1), @@ -58,7 +61,7 @@ def plot_num_walkers(west: h5py.File, outdir: str): plt.savefig(f"{outdir}/num_walkers.png") -def plot_histogram(results: dict, key: str, title: str, directory: str = None): +def plot_histogram(results: dict, key: str, title: str, directory: str = None) -> None: """Plots the histogram of the specified key. The plot will be saved to the specified directory. @@ -107,7 +110,9 @@ def plot_histogram(results: dict, key: str, title: str, directory: str = None): fig.savefig(f"{directory}/{key}.png") -def plot(jd: List[float], rmsd: List[float], title: str, outdir: str, filename: str): +def plot( + jd: List[float], rmsd: List[float], title: str, outdir: str, filename: str +) -> None: """Plots the Jaccard distance and the RMSD of the pocket heavy atoms. The plot will be saved to the specified directory. @@ -140,7 +145,7 @@ def plot(jd: List[float], rmsd: List[float], title: str, outdir: str, filename: def get_pcoords_for_plotting(westfile: str, settings: dict) -> dict: """Gets the pcoord and auxdata from the west.h5 file. - + Args: westfile (str): path to the west.h5 file. settings (dict): dictionary containing the settings for the analysis. @@ -153,8 +158,8 @@ def get_pcoords_for_plotting(westfile: str, settings: dict) -> dict: for i in settings["auxdata"]: results[i] = [] if "composite" in results: - if "prmsd" not in results: - results["prmsd"] = [] + if "p_rmsd" not in results: + results["p_rmsd"] = [] if "bb_rmsd" not in results: results["bb_rmsd"] = [] @@ -181,7 +186,7 @@ def plot_stuff( jd_max: List[float], jd_min: List[float], jd_sd: List[float], -): +) -> None: """Plots the Jaccard distance against iteration. The plot will be saved to the specified directory. @@ -190,13 +195,13 @@ def plot_stuff( min_md_jd (float): minimum Jaccard distance of the MD simulations. max_md_jd (float): maximum Jaccard distance of the MD simulations. average_jd (float): average Jaccard distance of the MD simulations. - jd_max (list): list containing the maximum Jaccard distance. + jd_max (list): list containing the maximum Jaccard distance. jd_min (list): list containing the minimum Jaccard distance. jd_sd (list): list containing the standard deviation of the Jaccard distance. """ # TODO: Erich - this plot needs to be redone - fig = plt.subplots(1, 1, figsize=(10, 8)) + plt.subplots(1, 1, figsize=(10, 8)) plt.title("Jaccard distance against iteration", fontsize=20) plt.ylabel("JD", fontsize=18) plt.errorbar( @@ -343,7 +348,7 @@ def obtain_paths_highest_rmsd_jd_weight( parser.add_argument( "outdir", type=str, - help="Define the output directory to put the files in, it will creat it if it does not exist. It is required", + help="Define the output directory to put the files in, it will create it if it does not exist. It is required", ) args = parser.parse_args() @@ -359,4 +364,3 @@ def obtain_paths_highest_rmsd_jd_weight( # plot num of walkers vs generation if settings["subpex"]["plotting"]["num_walkers"]: plot_num_walkers(west, args.outdir) - diff --git a/tests/conftest.py b/tests/conftest.py new file mode 100644 index 0000000..3a88ef5 --- /dev/null +++ b/tests/conftest.py @@ -0,0 +1,40 @@ +import os + +import pytest + +from subpex import enable_logging +from subpex.configs import SubpexConfig + +TEST_DIR = os.path.dirname(__file__) + + +@pytest.fixture(scope="session", autouse=True) +def turn_on_logging(): + enable_logging(10) + + +@pytest.fixture +def tmp_dir(): + return os.path.join(TEST_DIR, "tmp") + + +@pytest.fixture +def path_m7g_paths(): + paths = { + "topo": os.path.join(TEST_DIR, "files/m7g/mol.prmtop"), + "ref_pdb": os.path.join(TEST_DIR, "files/m7g/equil_frame_last.pdb"), + "traj": os.path.join(TEST_DIR, "files/m7g/equil_frames.nc"), + } + return paths + + +@pytest.fixture +def m7g_config(): + subpex_config = SubpexConfig() + subpex_config.pocket.center = [30.037991, 41.463818, 30.3776] + subpex_config.pocket.radius = 6.5 + subpex_config.pocket.water_dist = 6.7 + subpex_config.pocket.selection_str = "resid 124 or resid 125 or resid 128 or resid 88 or resid 89 or resid 121 or resid 92 or resid 129 and (not name H*)" + for aux_data in subpex_config.data.aux.get_all(): + aux_data.active = True + return subpex_config diff --git a/tests/files/m7g/.gitignore b/tests/files/m7g/.gitignore new file mode 100644 index 0000000..0400c82 --- /dev/null +++ b/tests/files/m7g/.gitignore @@ -0,0 +1,4 @@ +!*.nc +!*.rst +!*.prmtop +!*.pdb diff --git a/tests/files/m7g/equil_frame_last.pdb b/tests/files/m7g/equil_frame_last.pdb new file mode 100644 index 0000000..1a2bdda --- /dev/null +++ b/tests/files/m7g/equil_frame_last.pdb @@ -0,0 +1,28361 @@ +CRYST1 77.964 63.024 58.425 90.00 90.00 90.00 P 1 1 +ATOM 1 H1 ACE X 1 55.713 46.884 39.448 0.00 0.00 +ATOM 2 CH3 ACE X 1 55.276 46.183 38.737 0.00 0.00 +ATOM 3 H2 ACE X 1 54.622 46.742 38.067 0.00 0.00 +ATOM 4 H3 ACE X 1 54.597 45.523 39.276 0.00 0.00 +ATOM 5 C ACE X 1 56.347 45.423 38.061 0.00 0.00 +ATOM 6 O ACE X 1 56.356 45.400 36.810 0.00 0.00 +ATOM 7 N GLN X 2 57.296 44.870 38.855 0.00 0.00 +ATOM 8 H GLN X 2 57.100 45.033 39.833 0.00 0.00 +ATOM 9 CA GLN X 2 58.471 44.125 38.492 0.00 0.00 +ATOM 10 HA GLN X 2 58.859 44.584 37.582 0.00 0.00 +ATOM 11 CB GLN X 2 59.573 44.400 39.612 0.00 0.00 +ATOM 12 HB2 GLN X 2 59.157 43.956 40.516 0.00 0.00 +ATOM 13 HB3 GLN X 2 60.508 43.923 39.317 0.00 0.00 +ATOM 14 CG GLN X 2 59.981 45.926 39.908 0.00 0.00 +ATOM 15 HG2 GLN X 2 61.026 46.065 39.630 0.00 0.00 +ATOM 16 HG3 GLN X 2 59.468 46.568 39.192 0.00 0.00 +ATOM 17 CD GLN X 2 59.828 46.438 41.314 0.00 0.00 +ATOM 18 OE1 GLN X 2 60.137 45.857 42.363 0.00 0.00 +ATOM 19 NE2 GLN X 2 59.353 47.627 41.307 0.00 0.00 +ATOM 20 HE21 GLN X 2 59.173 48.168 40.473 0.00 0.00 +ATOM 21 HE22 GLN X 2 59.002 48.044 42.158 0.00 0.00 +ATOM 22 C GLN X 2 58.248 42.599 38.286 0.00 0.00 +ATOM 23 O GLN X 2 58.943 41.916 37.509 0.00 0.00 +ATOM 24 N HID X 3 57.173 42.005 38.895 0.00 0.00 +ATOM 25 H HID X 3 56.646 42.600 39.517 0.00 0.00 +ATOM 26 CA HID X 3 56.910 40.574 38.670 0.00 0.00 +ATOM 27 HA HID X 3 57.811 40.067 39.014 0.00 0.00 +ATOM 28 CB HID X 3 55.867 40.186 39.718 0.00 0.00 +ATOM 29 HB2 HID X 3 56.296 40.564 40.646 0.00 0.00 +ATOM 30 HB3 HID X 3 54.992 40.776 39.443 0.00 0.00 +ATOM 31 CG HID X 3 55.479 38.739 39.781 0.00 0.00 +ATOM 32 ND1 HID X 3 54.283 38.214 39.329 0.00 0.00 +ATOM 33 HD1 HID X 3 53.437 38.702 39.072 0.00 0.00 +ATOM 34 CE1 HID X 3 54.318 36.880 39.480 0.00 0.00 +ATOM 35 HE1 HID X 3 53.571 36.236 39.041 0.00 0.00 +ATOM 36 NE2 HID X 3 55.525 36.450 39.941 0.00 0.00 +ATOM 37 CD2 HID X 3 56.265 37.692 40.237 0.00 0.00 +ATOM 38 HD2 HID X 3 57.294 37.824 40.537 0.00 0.00 +ATOM 39 C HID X 3 56.446 40.288 37.226 0.00 0.00 +ATOM 40 O HID X 3 55.929 41.149 36.520 0.00 0.00 +ATOM 41 N PRO X 4 56.749 39.149 36.595 0.00 0.00 +ATOM 42 CD PRO X 4 57.767 38.248 37.079 0.00 0.00 +ATOM 43 HD2 PRO X 4 57.311 37.520 37.749 0.00 0.00 +ATOM 44 HD3 PRO X 4 58.658 38.715 37.499 0.00 0.00 +ATOM 45 CG PRO X 4 58.197 37.432 35.852 0.00 0.00 +ATOM 46 HG2 PRO X 4 58.481 36.388 35.983 0.00 0.00 +ATOM 47 HG3 PRO X 4 58.952 38.047 35.362 0.00 0.00 +ATOM 48 CB PRO X 4 56.957 37.506 34.942 0.00 0.00 +ATOM 49 HB2 PRO X 4 56.245 36.812 35.390 0.00 0.00 +ATOM 50 HB3 PRO X 4 57.223 37.294 33.907 0.00 0.00 +ATOM 51 CA PRO X 4 56.456 38.903 35.206 0.00 0.00 +ATOM 52 HA PRO X 4 56.994 39.601 34.566 0.00 0.00 +ATOM 53 C PRO X 4 54.933 39.132 34.850 0.00 0.00 +ATOM 54 O PRO X 4 54.656 39.646 33.784 0.00 0.00 +ATOM 55 N SER X 5 54.016 38.799 35.779 0.00 0.00 +ATOM 56 H SER X 5 54.292 38.363 36.647 0.00 0.00 +ATOM 57 CA SER X 5 52.561 39.159 35.531 0.00 0.00 +ATOM 58 HA SER X 5 52.370 38.572 34.632 0.00 0.00 +ATOM 59 CB SER X 5 51.757 38.701 36.748 0.00 0.00 +ATOM 60 HB2 SER X 5 50.702 38.860 36.525 0.00 0.00 +ATOM 61 HB3 SER X 5 51.828 37.628 36.925 0.00 0.00 +ATOM 62 OG SER X 5 52.127 39.438 37.861 0.00 0.00 +ATOM 63 HG SER X 5 51.540 39.277 38.603 0.00 0.00 +ATOM 64 C SER X 5 52.225 40.649 35.293 0.00 0.00 +ATOM 65 O SER X 5 51.171 40.903 34.638 0.00 0.00 +ATOM 66 N HID X 6 53.047 41.584 35.733 0.00 0.00 +ATOM 67 H HID X 6 53.886 41.317 36.227 0.00 0.00 +ATOM 68 CA HID X 6 52.876 42.979 35.472 0.00 0.00 +ATOM 69 HA HID X 6 51.885 43.081 35.029 0.00 0.00 +ATOM 70 CB HID X 6 52.878 43.784 36.780 0.00 0.00 +ATOM 71 HB2 HID X 6 53.766 43.459 37.322 0.00 0.00 +ATOM 72 HB3 HID X 6 52.783 44.856 36.607 0.00 0.00 +ATOM 73 CG HID X 6 51.654 43.557 37.626 0.00 0.00 +ATOM 74 ND1 HID X 6 50.400 44.216 37.570 0.00 0.00 +ATOM 75 HD1 HID X 6 50.109 44.750 36.763 0.00 0.00 +ATOM 76 CE1 HID X 6 49.586 43.826 38.522 0.00 0.00 +ATOM 77 HE1 HID X 6 48.578 44.168 38.707 0.00 0.00 +ATOM 78 NE2 HID X 6 50.173 42.824 39.227 0.00 0.00 +ATOM 79 CD2 HID X 6 51.443 42.649 38.651 0.00 0.00 +ATOM 80 HD2 HID X 6 52.118 41.848 38.917 0.00 0.00 +ATOM 81 C HID X 6 53.884 43.573 34.452 0.00 0.00 +ATOM 82 O HID X 6 53.456 44.383 33.660 0.00 0.00 +ATOM 83 N GLU X 7 55.104 43.097 34.509 0.00 0.00 +ATOM 84 H GLU X 7 55.323 42.561 35.336 0.00 0.00 +ATOM 85 CA GLU X 7 56.291 43.390 33.669 0.00 0.00 +ATOM 86 HA GLU X 7 56.437 44.466 33.763 0.00 0.00 +ATOM 87 CB GLU X 7 57.528 42.635 34.192 0.00 0.00 +ATOM 88 HB2 GLU X 7 57.842 43.051 35.150 0.00 0.00 +ATOM 89 HB3 GLU X 7 57.314 41.580 34.359 0.00 0.00 +ATOM 90 CG GLU X 7 58.697 42.696 33.098 0.00 0.00 +ATOM 91 HG2 GLU X 7 59.493 42.012 33.392 0.00 0.00 +ATOM 92 HG3 GLU X 7 58.341 42.332 32.134 0.00 0.00 +ATOM 93 CD GLU X 7 59.360 44.079 33.010 0.00 0.00 +ATOM 94 OE1 GLU X 7 59.877 44.475 31.952 0.00 0.00 +ATOM 95 OE2 GLU X 7 59.313 44.860 34.014 0.00 0.00 +ATOM 96 C GLU X 7 55.962 43.024 32.195 0.00 0.00 +ATOM 97 O GLU X 7 55.863 43.924 31.355 0.00 0.00 +ATOM 98 N LEU X 8 55.682 41.717 31.934 0.00 0.00 +ATOM 99 H LEU X 8 55.640 41.091 32.725 0.00 0.00 +ATOM 100 CA LEU X 8 55.301 41.238 30.589 0.00 0.00 +ATOM 101 HA LEU X 8 56.065 41.482 29.851 0.00 0.00 +ATOM 102 CB LEU X 8 55.177 39.672 30.595 0.00 0.00 +ATOM 103 HB2 LEU X 8 54.386 39.413 31.299 0.00 0.00 +ATOM 104 HB3 LEU X 8 54.956 39.414 29.559 0.00 0.00 +ATOM 105 CG LEU X 8 56.402 38.814 31.103 0.00 0.00 +ATOM 106 HG LEU X 8 56.798 39.135 32.066 0.00 0.00 +ATOM 107 CD1 LEU X 8 55.920 37.392 31.382 0.00 0.00 +ATOM 108 HD11 LEU X 8 55.500 36.910 30.499 0.00 0.00 +ATOM 109 HD12 LEU X 8 56.844 36.919 31.716 0.00 0.00 +ATOM 110 HD13 LEU X 8 55.142 37.354 32.144 0.00 0.00 +ATOM 111 CD2 LEU X 8 57.466 38.772 30.000 0.00 0.00 +ATOM 112 HD21 LEU X 8 57.722 39.820 29.845 0.00 0.00 +ATOM 113 HD22 LEU X 8 58.348 38.355 30.487 0.00 0.00 +ATOM 114 HD23 LEU X 8 57.092 38.147 29.189 0.00 0.00 +ATOM 115 C LEU X 8 54.026 41.880 30.061 0.00 0.00 +ATOM 116 O LEU X 8 53.677 41.764 28.930 0.00 0.00 +ATOM 117 N LEU X 9 53.216 42.434 30.928 0.00 0.00 +ATOM 118 H LEU X 9 53.561 42.539 31.872 0.00 0.00 +ATOM 119 CA LEU X 9 51.827 42.842 30.634 0.00 0.00 +ATOM 120 HA LEU X 9 51.533 42.222 29.787 0.00 0.00 +ATOM 121 CB LEU X 9 50.960 42.455 31.843 0.00 0.00 +ATOM 122 HB2 LEU X 9 51.066 41.402 32.104 0.00 0.00 +ATOM 123 HB3 LEU X 9 51.366 42.839 32.779 0.00 0.00 +ATOM 124 CG LEU X 9 49.533 43.065 31.686 0.00 0.00 +ATOM 125 HG LEU X 9 49.671 44.134 31.523 0.00 0.00 +ATOM 126 CD1 LEU X 9 48.765 42.513 30.439 0.00 0.00 +ATOM 127 HD11 LEU X 9 47.845 43.096 30.496 0.00 0.00 +ATOM 128 HD12 LEU X 9 49.234 42.788 29.494 0.00 0.00 +ATOM 129 HD13 LEU X 9 48.634 41.439 30.571 0.00 0.00 +ATOM 130 CD2 LEU X 9 48.644 42.911 32.980 0.00 0.00 +ATOM 131 HD21 LEU X 9 48.364 41.871 33.152 0.00 0.00 +ATOM 132 HD22 LEU X 9 49.020 43.449 33.850 0.00 0.00 +ATOM 133 HD23 LEU X 9 47.767 43.524 32.774 0.00 0.00 +ATOM 134 C LEU X 9 51.832 44.399 30.196 0.00 0.00 +ATOM 135 O LEU X 9 51.031 44.969 29.458 0.00 0.00 +ATOM 136 N LYS X 10 52.896 45.121 30.569 0.00 0.00 +ATOM 137 H LYS X 10 53.658 44.702 31.083 0.00 0.00 +ATOM 138 CA LYS X 10 53.142 46.509 30.023 0.00 0.00 +ATOM 139 HA LYS X 10 52.226 47.087 30.152 0.00 0.00 +ATOM 140 CB LYS X 10 54.244 47.135 30.934 0.00 0.00 +ATOM 141 HB2 LYS X 10 55.104 46.467 30.891 0.00 0.00 +ATOM 142 HB3 LYS X 10 54.597 48.073 30.507 0.00 0.00 +ATOM 143 CG LYS X 10 53.595 47.257 32.329 0.00 0.00 +ATOM 144 HG2 LYS X 10 53.050 48.200 32.363 0.00 0.00 +ATOM 145 HG3 LYS X 10 52.871 46.482 32.578 0.00 0.00 +ATOM 146 CD LYS X 10 54.741 47.271 33.368 0.00 0.00 +ATOM 147 HD2 LYS X 10 55.324 46.362 33.222 0.00 0.00 +ATOM 148 HD3 LYS X 10 55.298 48.192 33.196 0.00 0.00 +ATOM 149 CE LYS X 10 54.241 47.377 34.824 0.00 0.00 +ATOM 150 HE2 LYS X 10 53.410 48.082 34.791 0.00 0.00 +ATOM 151 HE3 LYS X 10 53.799 46.403 35.034 0.00 0.00 +ATOM 152 NZ LYS X 10 55.457 47.788 35.612 0.00 0.00 +ATOM 153 HZ1 LYS X 10 55.793 48.678 35.272 0.00 0.00 +ATOM 154 HZ2 LYS X 10 55.095 47.859 36.552 0.00 0.00 +ATOM 155 HZ3 LYS X 10 56.211 47.121 35.688 0.00 0.00 +ATOM 156 C LYS X 10 53.444 46.548 28.452 0.00 0.00 +ATOM 157 O LYS X 10 53.913 45.591 27.857 0.00 0.00 +ATOM 158 N GLU X 11 53.271 47.755 27.961 0.00 0.00 +ATOM 159 H GLU X 11 52.859 48.440 28.579 0.00 0.00 +ATOM 160 CA GLU X 11 53.571 48.073 26.554 0.00 0.00 +ATOM 161 HA GLU X 11 52.964 47.436 25.910 0.00 0.00 +ATOM 162 CB GLU X 11 53.199 49.489 26.186 0.00 0.00 +ATOM 163 HB2 GLU X 11 52.211 49.723 26.583 0.00 0.00 +ATOM 164 HB3 GLU X 11 53.928 50.089 26.730 0.00 0.00 +ATOM 165 CG GLU X 11 53.225 49.857 24.697 0.00 0.00 +ATOM 166 HG2 GLU X 11 53.109 50.940 24.656 0.00 0.00 +ATOM 167 HG3 GLU X 11 54.194 49.627 24.255 0.00 0.00 +ATOM 168 CD GLU X 11 52.103 49.216 23.994 0.00 0.00 +ATOM 169 OE1 GLU X 11 51.979 49.326 22.770 0.00 0.00 +ATOM 170 OE2 GLU X 11 51.189 48.731 24.668 0.00 0.00 +ATOM 171 C GLU X 11 55.033 47.741 26.272 0.00 0.00 +ATOM 172 O GLU X 11 55.950 48.139 27.059 0.00 0.00 +ATOM 173 N ASN X 12 55.266 46.968 25.253 0.00 0.00 +ATOM 174 H ASN X 12 54.491 46.701 24.663 0.00 0.00 +ATOM 175 CA ASN X 12 56.583 46.355 24.934 0.00 0.00 +ATOM 176 HA ASN X 12 56.405 45.661 24.112 0.00 0.00 +ATOM 177 CB ASN X 12 57.440 47.490 24.450 0.00 0.00 +ATOM 178 HB2 ASN X 12 57.665 48.042 25.362 0.00 0.00 +ATOM 179 HB3 ASN X 12 58.381 47.051 24.118 0.00 0.00 +ATOM 180 CG ASN X 12 56.805 48.410 23.422 0.00 0.00 +ATOM 181 OD1 ASN X 12 56.118 47.971 22.517 0.00 0.00 +ATOM 182 ND2 ASN X 12 57.159 49.654 23.419 0.00 0.00 +ATOM 183 HD21 ASN X 12 57.780 49.998 24.137 0.00 0.00 +ATOM 184 HD22 ASN X 12 56.845 50.244 22.662 0.00 0.00 +ATOM 185 C ASN X 12 57.281 45.450 26.010 0.00 0.00 +ATOM 186 O ASN X 12 58.422 44.933 25.760 0.00 0.00 +ATOM 187 N GLY X 13 56.515 45.157 27.071 0.00 0.00 +ATOM 188 H GLY X 13 55.530 45.381 27.080 0.00 0.00 +ATOM 189 CA GLY X 13 56.865 44.458 28.353 0.00 0.00 +ATOM 190 HA2 GLY X 13 57.618 45.070 28.849 0.00 0.00 +ATOM 191 HA3 GLY X 13 56.010 44.504 29.028 0.00 0.00 +ATOM 192 C GLY X 13 57.265 43.065 28.179 0.00 0.00 +ATOM 193 O GLY X 13 58.130 42.574 28.903 0.00 0.00 +ATOM 194 N PHE X 14 56.637 42.279 27.261 0.00 0.00 +ATOM 195 H PHE X 14 56.051 42.767 26.599 0.00 0.00 +ATOM 196 CA PHE X 14 56.810 40.856 27.041 0.00 0.00 +ATOM 197 HA PHE X 14 56.791 40.321 27.991 0.00 0.00 +ATOM 198 CB PHE X 14 55.746 40.194 26.162 0.00 0.00 +ATOM 199 HB2 PHE X 14 54.809 40.166 26.718 0.00 0.00 +ATOM 200 HB3 PHE X 14 55.489 40.763 25.269 0.00 0.00 +ATOM 201 CG PHE X 14 56.017 38.695 25.764 0.00 0.00 +ATOM 202 CD1 PHE X 14 55.770 37.607 26.677 0.00 0.00 +ATOM 203 HD1 PHE X 14 55.478 37.788 27.701 0.00 0.00 +ATOM 204 CE1 PHE X 14 55.893 36.294 26.278 0.00 0.00 +ATOM 205 HE1 PHE X 14 55.524 35.503 26.914 0.00 0.00 +ATOM 206 CZ PHE X 14 56.281 36.023 24.965 0.00 0.00 +ATOM 207 HZ PHE X 14 56.295 34.993 24.642 0.00 0.00 +ATOM 208 CE2 PHE X 14 56.677 37.099 24.095 0.00 0.00 +ATOM 209 HE2 PHE X 14 56.989 36.798 23.105 0.00 0.00 +ATOM 210 CD2 PHE X 14 56.409 38.482 24.432 0.00 0.00 +ATOM 211 HD2 PHE X 14 56.499 39.335 23.777 0.00 0.00 +ATOM 212 C PHE X 14 58.223 40.523 26.503 0.00 0.00 +ATOM 213 O PHE X 14 58.827 41.247 25.738 0.00 0.00 +ATOM 214 N THR X 15 58.892 39.483 27.083 0.00 0.00 +ATOM 215 H THR X 15 58.498 38.935 27.834 0.00 0.00 +ATOM 216 CA THR X 15 60.190 38.928 26.593 0.00 0.00 +ATOM 217 HA THR X 15 60.203 39.076 25.513 0.00 0.00 +ATOM 218 CB THR X 15 61.443 39.786 27.012 0.00 0.00 +ATOM 219 HB THR X 15 61.331 40.749 26.513 0.00 0.00 +ATOM 220 CG2 THR X 15 61.555 39.962 28.507 0.00 0.00 +ATOM 221 HG21 THR X 15 60.619 40.054 29.059 0.00 0.00 +ATOM 222 HG22 THR X 15 62.048 39.135 29.017 0.00 0.00 +ATOM 223 HG23 THR X 15 62.153 40.846 28.728 0.00 0.00 +ATOM 224 OG1 THR X 15 62.627 39.241 26.466 0.00 0.00 +ATOM 225 HG1 THR X 15 63.139 40.017 26.230 0.00 0.00 +ATOM 226 C THR X 15 60.389 37.453 26.913 0.00 0.00 +ATOM 227 O THR X 15 60.189 36.987 28.071 0.00 0.00 +ATOM 228 N GLN X 16 60.733 36.690 25.857 0.00 0.00 +ATOM 229 H GLN X 16 60.949 37.262 25.052 0.00 0.00 +ATOM 230 CA GLN X 16 60.860 35.192 25.735 0.00 0.00 +ATOM 231 HA GLN X 16 59.915 34.658 25.823 0.00 0.00 +ATOM 232 CB GLN X 16 61.283 34.840 24.280 0.00 0.00 +ATOM 233 HB2 GLN X 16 62.161 35.435 24.031 0.00 0.00 +ATOM 234 HB3 GLN X 16 61.542 33.784 24.213 0.00 0.00 +ATOM 235 CG GLN X 16 60.164 35.162 23.209 0.00 0.00 +ATOM 236 HG2 GLN X 16 59.274 34.547 23.344 0.00 0.00 +ATOM 237 HG3 GLN X 16 59.808 36.176 23.388 0.00 0.00 +ATOM 238 CD GLN X 16 60.624 34.877 21.826 0.00 0.00 +ATOM 239 OE1 GLN X 16 61.603 34.224 21.474 0.00 0.00 +ATOM 240 NE2 GLN X 16 60.050 35.429 20.861 0.00 0.00 +ATOM 241 HE21 GLN X 16 59.475 36.236 21.056 0.00 0.00 +ATOM 242 HE22 GLN X 16 60.489 35.295 19.961 0.00 0.00 +ATOM 243 C GLN X 16 61.674 34.552 26.873 0.00 0.00 +ATOM 244 O GLN X 16 61.133 33.778 27.676 0.00 0.00 +ATOM 245 N HID X 17 62.982 34.884 26.931 0.00 0.00 +ATOM 246 H HID X 17 63.374 35.565 26.297 0.00 0.00 +ATOM 247 CA HID X 17 63.873 34.401 28.033 0.00 0.00 +ATOM 248 HA HID X 17 63.904 33.318 27.915 0.00 0.00 +ATOM 249 CB HID X 17 65.285 34.849 27.826 0.00 0.00 +ATOM 250 HB2 HID X 17 65.933 34.319 28.524 0.00 0.00 +ATOM 251 HB3 HID X 17 65.553 34.493 26.831 0.00 0.00 +ATOM 252 CG HID X 17 65.571 36.355 28.056 0.00 0.00 +ATOM 253 ND1 HID X 17 64.966 37.391 27.389 0.00 0.00 +ATOM 254 HD1 HID X 17 64.259 37.371 26.669 0.00 0.00 +ATOM 255 CE1 HID X 17 65.286 38.523 28.021 0.00 0.00 +ATOM 256 HE1 HID X 17 64.810 39.477 27.851 0.00 0.00 +ATOM 257 NE2 HID X 17 66.185 38.319 28.981 0.00 0.00 +ATOM 258 CD2 HID X 17 66.361 36.879 29.017 0.00 0.00 +ATOM 259 HD2 HID X 17 66.895 36.382 29.814 0.00 0.00 +ATOM 260 C HID X 17 63.431 34.545 29.468 0.00 0.00 +ATOM 261 O HID X 17 63.752 33.727 30.385 0.00 0.00 +ATOM 262 N VAL X 18 62.703 35.627 29.765 0.00 0.00 +ATOM 263 H VAL X 18 62.800 36.357 29.074 0.00 0.00 +ATOM 264 CA VAL X 18 61.917 35.762 30.958 0.00 0.00 +ATOM 265 HA VAL X 18 62.533 35.283 31.720 0.00 0.00 +ATOM 266 CB VAL X 18 61.725 37.238 31.182 0.00 0.00 +ATOM 267 HB VAL X 18 61.299 37.587 30.242 0.00 0.00 +ATOM 268 CG1 VAL X 18 60.736 37.648 32.264 0.00 0.00 +ATOM 269 HG11 VAL X 18 60.708 38.735 32.332 0.00 0.00 +ATOM 270 HG12 VAL X 18 59.751 37.280 31.977 0.00 0.00 +ATOM 271 HG13 VAL X 18 60.982 37.029 33.128 0.00 0.00 +ATOM 272 CG2 VAL X 18 63.097 37.795 31.572 0.00 0.00 +ATOM 273 HG21 VAL X 18 63.856 37.586 30.819 0.00 0.00 +ATOM 274 HG22 VAL X 18 62.872 38.850 31.728 0.00 0.00 +ATOM 275 HG23 VAL X 18 63.393 37.421 32.553 0.00 0.00 +ATOM 276 C VAL X 18 60.592 35.015 30.970 0.00 0.00 +ATOM 277 O VAL X 18 60.329 34.341 31.936 0.00 0.00 +ATOM 278 N TYR X 19 59.757 35.065 29.930 0.00 0.00 +ATOM 279 H TYR X 19 60.069 35.597 29.130 0.00 0.00 +ATOM 280 CA TYR X 19 58.483 34.365 30.000 0.00 0.00 +ATOM 281 HA TYR X 19 58.051 34.521 30.988 0.00 0.00 +ATOM 282 CB TYR X 19 57.633 34.792 28.791 0.00 0.00 +ATOM 283 HB2 TYR X 19 57.262 35.814 28.866 0.00 0.00 +ATOM 284 HB3 TYR X 19 58.229 34.758 27.879 0.00 0.00 +ATOM 285 CG TYR X 19 56.363 33.858 28.756 0.00 0.00 +ATOM 286 CD1 TYR X 19 55.512 33.880 29.822 0.00 0.00 +ATOM 287 HD1 TYR X 19 55.677 34.693 30.513 0.00 0.00 +ATOM 288 CE1 TYR X 19 54.306 33.051 29.840 0.00 0.00 +ATOM 289 HE1 TYR X 19 53.562 33.126 30.619 0.00 0.00 +ATOM 290 CZ TYR X 19 54.104 32.245 28.694 0.00 0.00 +ATOM 291 OH TYR X 19 52.982 31.490 28.736 0.00 0.00 +ATOM 292 HH TYR X 19 52.955 30.816 28.053 0.00 0.00 +ATOM 293 CE2 TYR X 19 55.086 32.118 27.654 0.00 0.00 +ATOM 294 HE2 TYR X 19 54.951 31.485 26.790 0.00 0.00 +ATOM 295 CD2 TYR X 19 56.240 32.943 27.702 0.00 0.00 +ATOM 296 HD2 TYR X 19 56.892 32.967 26.841 0.00 0.00 +ATOM 297 C TYR X 19 58.592 32.864 30.081 0.00 0.00 +ATOM 298 O TYR X 19 57.902 32.260 30.887 0.00 0.00 +ATOM 299 N HID X 20 59.468 32.236 29.260 0.00 0.00 +ATOM 300 H HID X 20 60.043 32.780 28.633 0.00 0.00 +ATOM 301 CA HID X 20 59.730 30.805 29.310 0.00 0.00 +ATOM 302 HA HID X 20 58.772 30.303 29.176 0.00 0.00 +ATOM 303 CB HID X 20 60.717 30.413 28.137 0.00 0.00 +ATOM 304 HB2 HID X 20 61.666 30.927 28.291 0.00 0.00 +ATOM 305 HB3 HID X 20 60.942 29.346 28.141 0.00 0.00 +ATOM 306 CG HID X 20 60.207 30.602 26.749 0.00 0.00 +ATOM 307 ND1 HID X 20 61.038 30.761 25.625 0.00 0.00 +ATOM 308 HD1 HID X 20 62.046 30.827 25.631 0.00 0.00 +ATOM 309 CE1 HID X 20 60.237 30.881 24.541 0.00 0.00 +ATOM 310 HE1 HID X 20 60.497 30.797 23.496 0.00 0.00 +ATOM 311 NE2 HID X 20 59.014 30.827 24.891 0.00 0.00 +ATOM 312 CD2 HID X 20 58.978 30.674 26.314 0.00 0.00 +ATOM 313 HD2 HID X 20 58.116 30.699 26.964 0.00 0.00 +ATOM 314 C HID X 20 60.205 30.464 30.721 0.00 0.00 +ATOM 315 O HID X 20 59.684 29.469 31.289 0.00 0.00 +ATOM 316 N LYS X 21 61.164 31.193 31.356 0.00 0.00 +ATOM 317 H LYS X 21 61.556 32.010 30.910 0.00 0.00 +ATOM 318 CA LYS X 21 61.543 30.862 32.730 0.00 0.00 +ATOM 319 HA LYS X 21 61.654 29.780 32.800 0.00 0.00 +ATOM 320 CB LYS X 21 62.768 31.716 33.333 0.00 0.00 +ATOM 321 HB2 LYS X 21 62.720 32.768 33.054 0.00 0.00 +ATOM 322 HB3 LYS X 21 62.642 31.582 34.407 0.00 0.00 +ATOM 323 CG LYS X 21 64.044 31.006 32.847 0.00 0.00 +ATOM 324 HG2 LYS X 21 63.901 29.945 33.056 0.00 0.00 +ATOM 325 HG3 LYS X 21 64.087 31.119 31.764 0.00 0.00 +ATOM 326 CD LYS X 21 65.266 31.665 33.467 0.00 0.00 +ATOM 327 HD2 LYS X 21 65.225 32.692 33.106 0.00 0.00 +ATOM 328 HD3 LYS X 21 65.139 31.544 34.543 0.00 0.00 +ATOM 329 CE LYS X 21 66.440 30.857 33.018 0.00 0.00 +ATOM 330 HE2 LYS X 21 66.440 29.849 33.435 0.00 0.00 +ATOM 331 HE3 LYS X 21 66.434 30.733 31.936 0.00 0.00 +ATOM 332 NZ LYS X 21 67.790 31.487 33.402 0.00 0.00 +ATOM 333 HZ1 LYS X 21 67.976 32.353 32.917 0.00 0.00 +ATOM 334 HZ2 LYS X 21 67.900 31.610 34.399 0.00 0.00 +ATOM 335 HZ3 LYS X 21 68.588 30.922 33.150 0.00 0.00 +ATOM 336 C LYS X 21 60.363 31.065 33.687 0.00 0.00 +ATOM 337 O LYS X 21 60.116 30.213 34.461 0.00 0.00 +ATOM 338 N TYR X 22 59.614 32.164 33.586 0.00 0.00 +ATOM 339 H TYR X 22 59.853 32.789 32.829 0.00 0.00 +ATOM 340 CA TYR X 22 58.419 32.323 34.325 0.00 0.00 +ATOM 341 HA TYR X 22 58.815 32.433 35.335 0.00 0.00 +ATOM 342 CB TYR X 22 57.734 33.640 33.860 0.00 0.00 +ATOM 343 HB2 TYR X 22 58.456 34.453 33.938 0.00 0.00 +ATOM 344 HB3 TYR X 22 57.338 33.458 32.861 0.00 0.00 +ATOM 345 CG TYR X 22 56.513 34.055 34.672 0.00 0.00 +ATOM 346 CD1 TYR X 22 56.570 34.076 36.079 0.00 0.00 +ATOM 347 HD1 TYR X 22 57.425 33.712 36.630 0.00 0.00 +ATOM 348 CE1 TYR X 22 55.390 34.440 36.766 0.00 0.00 +ATOM 349 HE1 TYR X 22 55.281 34.495 37.839 0.00 0.00 +ATOM 350 CZ TYR X 22 54.288 34.872 36.016 0.00 0.00 +ATOM 351 OH TYR X 22 53.144 35.263 36.720 0.00 0.00 +ATOM 352 HH TYR X 22 52.888 34.679 37.437 0.00 0.00 +ATOM 353 CE2 TYR X 22 54.199 34.785 34.612 0.00 0.00 +ATOM 354 HE2 TYR X 22 53.262 34.994 34.118 0.00 0.00 +ATOM 355 CD2 TYR X 22 55.332 34.359 33.949 0.00 0.00 +ATOM 356 HD2 TYR X 22 55.278 34.283 32.874 0.00 0.00 +ATOM 357 C TYR X 22 57.330 31.220 34.276 0.00 0.00 +ATOM 358 O TYR X 22 56.815 30.772 35.331 0.00 0.00 +ATOM 359 N ARG X 23 57.054 30.745 33.084 0.00 0.00 +ATOM 360 H ARG X 23 57.503 31.183 32.292 0.00 0.00 +ATOM 361 CA ARG X 23 56.028 29.693 32.843 0.00 0.00 +ATOM 362 HA ARG X 23 55.062 29.879 33.311 0.00 0.00 +ATOM 363 CB ARG X 23 55.749 29.603 31.326 0.00 0.00 +ATOM 364 HB2 ARG X 23 55.145 30.489 31.133 0.00 0.00 +ATOM 365 HB3 ARG X 23 56.648 29.664 30.712 0.00 0.00 +ATOM 366 CG ARG X 23 54.903 28.359 30.946 0.00 0.00 +ATOM 367 HG2 ARG X 23 55.306 27.394 31.253 0.00 0.00 +ATOM 368 HG3 ARG X 23 53.887 28.427 31.333 0.00 0.00 +ATOM 369 CD ARG X 23 54.808 28.362 29.404 0.00 0.00 +ATOM 370 HD2 ARG X 23 54.274 29.253 29.072 0.00 0.00 +ATOM 371 HD3 ARG X 23 55.779 28.414 28.912 0.00 0.00 +ATOM 372 NE ARG X 23 54.121 27.106 28.987 0.00 0.00 +ATOM 373 HE ARG X 23 53.166 27.204 28.673 0.00 0.00 +ATOM 374 CZ ARG X 23 54.738 26.002 28.643 0.00 0.00 +ATOM 375 NH1 ARG X 23 56.014 25.803 28.753 0.00 0.00 +ATOM 376 HH11 ARG X 23 56.577 26.605 28.998 0.00 0.00 +ATOM 377 HH12 ARG X 23 56.375 24.861 28.713 0.00 0.00 +ATOM 378 NH2 ARG X 23 54.022 25.071 28.139 0.00 0.00 +ATOM 379 HH21 ARG X 23 53.048 25.242 27.935 0.00 0.00 +ATOM 380 HH22 ARG X 23 54.434 24.196 27.849 0.00 0.00 +ATOM 381 C ARG X 23 56.523 28.324 33.404 0.00 0.00 +ATOM 382 O ARG X 23 55.733 27.547 33.955 0.00 0.00 +ATOM 383 N ARG X 24 57.823 28.083 33.249 0.00 0.00 +ATOM 384 H ARG X 24 58.374 28.779 32.768 0.00 0.00 +ATOM 385 CA ARG X 24 58.540 26.982 33.884 0.00 0.00 +ATOM 386 HA ARG X 24 58.107 26.050 33.520 0.00 0.00 +ATOM 387 CB ARG X 24 59.958 26.957 33.277 0.00 0.00 +ATOM 388 HB2 ARG X 24 59.803 26.908 32.200 0.00 0.00 +ATOM 389 HB3 ARG X 24 60.537 27.854 33.500 0.00 0.00 +ATOM 390 CG ARG X 24 60.811 25.718 33.556 0.00 0.00 +ATOM 391 HG2 ARG X 24 61.131 25.686 34.598 0.00 0.00 +ATOM 392 HG3 ARG X 24 60.206 24.842 33.323 0.00 0.00 +ATOM 393 CD ARG X 24 62.142 25.846 32.726 0.00 0.00 +ATOM 394 HD2 ARG X 24 62.597 26.830 32.845 0.00 0.00 +ATOM 395 HD3 ARG X 24 62.838 25.095 33.100 0.00 0.00 +ATOM 396 NE ARG X 24 61.981 25.632 31.248 0.00 0.00 +ATOM 397 HE ARG X 24 61.143 25.152 30.954 0.00 0.00 +ATOM 398 CZ ARG X 24 62.844 25.859 30.264 0.00 0.00 +ATOM 399 NH1 ARG X 24 64.028 26.389 30.411 0.00 0.00 +ATOM 400 HH11 ARG X 24 64.429 26.403 31.338 0.00 0.00 +ATOM 401 HH12 ARG X 24 64.649 26.457 29.618 0.00 0.00 +ATOM 402 NH2 ARG X 24 62.444 25.642 29.049 0.00 0.00 +ATOM 403 HH21 ARG X 24 61.463 25.457 28.895 0.00 0.00 +ATOM 404 HH22 ARG X 24 62.965 26.176 28.368 0.00 0.00 +ATOM 405 C ARG X 24 58.497 26.961 35.414 0.00 0.00 +ATOM 406 O ARG X 24 58.161 25.953 36.034 0.00 0.00 +ATOM 407 N ARG X 25 58.719 28.103 36.022 0.00 0.00 +ATOM 408 H ARG X 25 59.230 28.732 35.420 0.00 0.00 +ATOM 409 CA ARG X 25 58.779 28.176 37.468 0.00 0.00 +ATOM 410 HA ARG X 25 59.487 27.421 37.811 0.00 0.00 +ATOM 411 CB ARG X 25 59.335 29.616 37.793 0.00 0.00 +ATOM 412 HB2 ARG X 25 60.344 29.720 37.395 0.00 0.00 +ATOM 413 HB3 ARG X 25 58.569 30.298 37.423 0.00 0.00 +ATOM 414 CG ARG X 25 59.492 29.872 39.302 0.00 0.00 +ATOM 415 HG2 ARG X 25 59.265 30.916 39.514 0.00 0.00 +ATOM 416 HG3 ARG X 25 58.756 29.299 39.867 0.00 0.00 +ATOM 417 CD ARG X 25 60.845 29.477 39.903 0.00 0.00 +ATOM 418 HD2 ARG X 25 61.674 29.682 39.226 0.00 0.00 +ATOM 419 HD3 ARG X 25 60.951 30.012 40.846 0.00 0.00 +ATOM 420 NE ARG X 25 60.872 28.051 40.070 0.00 0.00 +ATOM 421 HE ARG X 25 61.376 27.461 39.424 0.00 0.00 +ATOM 422 CZ ARG X 25 60.385 27.251 40.914 0.00 0.00 +ATOM 423 NH1 ARG X 25 59.592 27.694 41.824 0.00 0.00 +ATOM 424 HH11 ARG X 25 59.364 28.675 41.743 0.00 0.00 +ATOM 425 HH12 ARG X 25 59.477 27.121 42.648 0.00 0.00 +ATOM 426 NH2 ARG X 25 60.783 26.043 40.994 0.00 0.00 +ATOM 427 HH21 ARG X 25 61.386 25.676 40.272 0.00 0.00 +ATOM 428 HH22 ARG X 25 60.104 25.352 41.280 0.00 0.00 +ATOM 429 C ARG X 25 57.381 27.960 38.036 0.00 0.00 +ATOM 430 O ARG X 25 57.225 27.265 38.989 0.00 0.00 +ATOM 431 N CYS X 26 56.287 28.509 37.460 0.00 0.00 +ATOM 432 H CYS X 26 56.473 29.144 36.696 0.00 0.00 +ATOM 433 CA CYS X 26 54.884 28.341 37.973 0.00 0.00 +ATOM 434 HA CYS X 26 54.825 28.415 39.059 0.00 0.00 +ATOM 435 CB CYS X 26 54.027 29.360 37.327 0.00 0.00 +ATOM 436 HB2 CYS X 26 54.021 29.231 36.245 0.00 0.00 +ATOM 437 HB3 CYS X 26 53.034 29.202 37.749 0.00 0.00 +ATOM 438 SG CYS X 26 54.516 31.126 37.584 0.00 0.00 +ATOM 439 HG CYS X 26 55.680 30.903 36.967 0.00 0.00 +ATOM 440 C CYS X 26 54.254 26.976 37.604 0.00 0.00 +ATOM 441 O CYS X 26 53.765 26.410 38.606 0.00 0.00 +ATOM 442 N LEU X 27 54.437 26.445 36.383 0.00 0.00 +ATOM 443 H LEU X 27 55.001 26.920 35.694 0.00 0.00 +ATOM 444 CA LEU X 27 54.157 25.017 36.056 0.00 0.00 +ATOM 445 HA LEU X 27 53.100 24.802 36.213 0.00 0.00 +ATOM 446 CB LEU X 27 54.424 24.697 34.609 0.00 0.00 +ATOM 447 HB2 LEU X 27 55.491 24.872 34.468 0.00 0.00 +ATOM 448 HB3 LEU X 27 54.286 23.633 34.418 0.00 0.00 +ATOM 449 CG LEU X 27 53.461 25.354 33.529 0.00 0.00 +ATOM 450 HG LEU X 27 53.656 26.427 33.532 0.00 0.00 +ATOM 451 CD1 LEU X 27 53.919 24.843 32.206 0.00 0.00 +ATOM 452 HD11 LEU X 27 53.361 25.399 31.453 0.00 0.00 +ATOM 453 HD12 LEU X 27 55.006 24.900 32.154 0.00 0.00 +ATOM 454 HD13 LEU X 27 53.689 23.786 32.072 0.00 0.00 +ATOM 455 CD2 LEU X 27 51.973 25.219 33.810 0.00 0.00 +ATOM 456 HD21 LEU X 27 51.750 25.719 34.753 0.00 0.00 +ATOM 457 HD22 LEU X 27 51.351 25.715 33.065 0.00 0.00 +ATOM 458 HD23 LEU X 27 51.713 24.163 33.886 0.00 0.00 +ATOM 459 C LEU X 27 54.925 24.045 36.949 0.00 0.00 +ATOM 460 O LEU X 27 54.306 23.041 37.319 0.00 0.00 +ATOM 461 N ASN X 28 56.209 24.306 37.211 0.00 0.00 +ATOM 462 H ASN X 28 56.693 25.060 36.746 0.00 0.00 +ATOM 463 CA ASN X 28 56.959 23.469 38.176 0.00 0.00 +ATOM 464 HA ASN X 28 56.980 22.449 37.791 0.00 0.00 +ATOM 465 CB ASN X 28 58.497 23.786 38.120 0.00 0.00 +ATOM 466 HB2 ASN X 28 58.718 24.832 38.334 0.00 0.00 +ATOM 467 HB3 ASN X 28 58.947 23.183 38.908 0.00 0.00 +ATOM 468 CG ASN X 28 59.248 23.401 36.814 0.00 0.00 +ATOM 469 OD1 ASN X 28 58.677 23.049 35.802 0.00 0.00 +ATOM 470 ND2 ASN X 28 60.563 23.397 36.766 0.00 0.00 +ATOM 471 HD21 ASN X 28 61.073 23.413 37.638 0.00 0.00 +ATOM 472 HD22 ASN X 28 60.921 22.948 35.935 0.00 0.00 +ATOM 473 C ASN X 28 56.426 23.535 39.606 0.00 0.00 +ATOM 474 O ASN X 28 56.534 22.577 40.329 0.00 0.00 +ATOM 475 N GLU X 29 55.954 24.683 40.073 0.00 0.00 +ATOM 476 H GLU X 29 55.967 25.524 39.513 0.00 0.00 +ATOM 477 CA GLU X 29 55.279 24.819 41.385 0.00 0.00 +ATOM 478 HA GLU X 29 55.757 24.236 42.172 0.00 0.00 +ATOM 479 CB GLU X 29 55.157 26.265 41.859 0.00 0.00 +ATOM 480 HB2 GLU X 29 54.662 26.855 41.088 0.00 0.00 +ATOM 481 HB3 GLU X 29 54.600 26.301 42.796 0.00 0.00 +ATOM 482 CG GLU X 29 56.528 26.916 42.150 0.00 0.00 +ATOM 483 HG2 GLU X 29 57.161 26.785 41.273 0.00 0.00 +ATOM 484 HG3 GLU X 29 56.474 28.002 42.223 0.00 0.00 +ATOM 485 CD GLU X 29 57.233 26.458 43.434 0.00 0.00 +ATOM 486 OE1 GLU X 29 56.775 26.831 44.499 0.00 0.00 +ATOM 487 OE2 GLU X 29 58.176 25.705 43.336 0.00 0.00 +ATOM 488 C GLU X 29 53.839 24.136 41.418 0.00 0.00 +ATOM 489 O GLU X 29 53.454 23.504 42.344 0.00 0.00 +ATOM 490 N ARG X 30 53.155 24.140 40.289 0.00 0.00 +ATOM 491 H ARG X 30 53.621 24.677 39.573 0.00 0.00 +ATOM 492 CA ARG X 30 51.918 23.416 39.974 0.00 0.00 +ATOM 493 HA ARG X 30 51.308 23.817 40.783 0.00 0.00 +ATOM 494 CB ARG X 30 51.251 23.897 38.674 0.00 0.00 +ATOM 495 HB2 ARG X 30 51.158 24.981 38.748 0.00 0.00 +ATOM 496 HB3 ARG X 30 51.913 23.771 37.818 0.00 0.00 +ATOM 497 CG ARG X 30 49.893 23.261 38.250 0.00 0.00 +ATOM 498 HG2 ARG X 30 49.964 22.177 38.162 0.00 0.00 +ATOM 499 HG3 ARG X 30 49.148 23.456 39.021 0.00 0.00 +ATOM 500 CD ARG X 30 49.449 23.832 36.915 0.00 0.00 +ATOM 501 HD2 ARG X 30 49.271 24.907 36.883 0.00 0.00 +ATOM 502 HD3 ARG X 30 50.261 23.605 36.224 0.00 0.00 +ATOM 503 NE ARG X 30 48.235 23.115 36.433 0.00 0.00 +ATOM 504 HE ARG X 30 47.331 23.541 36.576 0.00 0.00 +ATOM 505 CZ ARG X 30 48.146 22.005 35.708 0.00 0.00 +ATOM 506 NH1 ARG X 30 49.225 21.273 35.339 0.00 0.00 +ATOM 507 HH11 ARG X 30 50.143 21.473 35.710 0.00 0.00 +ATOM 508 HH12 ARG X 30 49.190 20.518 34.668 0.00 0.00 +ATOM 509 NH2 ARG X 30 47.045 21.706 35.061 0.00 0.00 +ATOM 510 HH21 ARG X 30 46.183 22.157 35.329 0.00 0.00 +ATOM 511 HH22 ARG X 30 46.991 20.839 34.544 0.00 0.00 +ATOM 512 C ARG X 30 52.124 21.861 40.056 0.00 0.00 +ATOM 513 O ARG X 30 51.333 21.178 40.706 0.00 0.00 +ATOM 514 N LYS X 31 53.297 21.363 39.637 0.00 0.00 +ATOM 515 H LYS X 31 53.843 21.990 39.064 0.00 0.00 +ATOM 516 CA LYS X 31 53.860 20.045 39.816 0.00 0.00 +ATOM 517 HA LYS X 31 53.028 19.371 39.612 0.00 0.00 +ATOM 518 CB LYS X 31 54.883 19.708 38.787 0.00 0.00 +ATOM 519 HB2 LYS X 31 54.433 19.917 37.816 0.00 0.00 +ATOM 520 HB3 LYS X 31 55.693 20.435 38.851 0.00 0.00 +ATOM 521 CG LYS X 31 55.405 18.220 38.936 0.00 0.00 +ATOM 522 HG2 LYS X 31 55.998 18.010 39.826 0.00 0.00 +ATOM 523 HG3 LYS X 31 54.527 17.585 39.052 0.00 0.00 +ATOM 524 CD LYS X 31 56.285 17.986 37.730 0.00 0.00 +ATOM 525 HD2 LYS X 31 55.811 18.459 36.870 0.00 0.00 +ATOM 526 HD3 LYS X 31 57.220 18.533 37.851 0.00 0.00 +ATOM 527 CE LYS X 31 56.522 16.477 37.569 0.00 0.00 +ATOM 528 HE2 LYS X 31 57.171 16.124 38.370 0.00 0.00 +ATOM 529 HE3 LYS X 31 55.664 15.902 37.920 0.00 0.00 +ATOM 530 NZ LYS X 31 56.900 16.044 36.206 0.00 0.00 +ATOM 531 HZ1 LYS X 31 56.158 16.209 35.541 0.00 0.00 +ATOM 532 HZ2 LYS X 31 57.754 16.464 35.868 0.00 0.00 +ATOM 533 HZ3 LYS X 31 57.008 15.040 36.204 0.00 0.00 +ATOM 534 C LYS X 31 54.320 19.788 41.273 0.00 0.00 +ATOM 535 O LYS X 31 54.001 18.700 41.803 0.00 0.00 +ATOM 536 N ARG X 32 55.084 20.694 41.939 0.00 0.00 +ATOM 537 H ARG X 32 55.534 21.373 41.341 0.00 0.00 +ATOM 538 CA ARG X 32 55.602 20.595 43.307 0.00 0.00 +ATOM 539 HA ARG X 32 56.114 19.633 43.328 0.00 0.00 +ATOM 540 CB ARG X 32 56.561 21.747 43.651 0.00 0.00 +ATOM 541 HB2 ARG X 32 57.227 21.898 42.802 0.00 0.00 +ATOM 542 HB3 ARG X 32 56.060 22.715 43.695 0.00 0.00 +ATOM 543 CG ARG X 32 57.568 21.516 44.802 0.00 0.00 +ATOM 544 HG2 ARG X 32 56.931 21.300 45.660 0.00 0.00 +ATOM 545 HG3 ARG X 32 58.245 20.682 44.618 0.00 0.00 +ATOM 546 CD ARG X 32 58.424 22.755 45.111 0.00 0.00 +ATOM 547 HD2 ARG X 32 59.179 22.502 45.856 0.00 0.00 +ATOM 548 HD3 ARG X 32 58.931 23.049 44.192 0.00 0.00 +ATOM 549 NE ARG X 32 57.683 23.980 45.548 0.00 0.00 +ATOM 550 HE ARG X 32 57.621 24.745 44.891 0.00 0.00 +ATOM 551 CZ ARG X 32 57.229 24.314 46.731 0.00 0.00 +ATOM 552 NH1 ARG X 32 57.258 23.556 47.708 0.00 0.00 +ATOM 553 HH11 ARG X 32 57.760 22.683 47.631 0.00 0.00 +ATOM 554 HH12 ARG X 32 56.876 23.759 48.621 0.00 0.00 +ATOM 555 NH2 ARG X 32 56.790 25.511 46.947 0.00 0.00 +ATOM 556 HH21 ARG X 32 56.819 26.104 46.130 0.00 0.00 +ATOM 557 HH22 ARG X 32 56.418 25.815 47.836 0.00 0.00 +ATOM 558 C ARG X 32 54.490 20.511 44.413 0.00 0.00 +ATOM 559 O ARG X 32 54.385 19.521 45.107 0.00 0.00 +ATOM 560 N LEU X 33 53.509 21.470 44.412 0.00 0.00 +ATOM 561 H LEU X 33 53.459 22.105 43.629 0.00 0.00 +ATOM 562 CA LEU X 33 52.520 21.593 45.476 0.00 0.00 +ATOM 563 HA LEU X 33 52.922 21.131 46.378 0.00 0.00 +ATOM 564 CB LEU X 33 52.154 23.065 45.824 0.00 0.00 +ATOM 565 HB2 LEU X 33 51.742 23.616 44.979 0.00 0.00 +ATOM 566 HB3 LEU X 33 51.373 22.967 46.578 0.00 0.00 +ATOM 567 CG LEU X 33 53.315 23.778 46.461 0.00 0.00 +ATOM 568 HG LEU X 33 54.185 23.467 45.883 0.00 0.00 +ATOM 569 CD1 LEU X 33 53.185 25.289 46.317 0.00 0.00 +ATOM 570 HD11 LEU X 33 52.223 25.538 46.765 0.00 0.00 +ATOM 571 HD12 LEU X 33 53.961 25.760 46.919 0.00 0.00 +ATOM 572 HD13 LEU X 33 53.265 25.651 45.292 0.00 0.00 +ATOM 573 CD2 LEU X 33 53.363 23.472 47.963 0.00 0.00 +ATOM 574 HD21 LEU X 33 52.455 23.758 48.494 0.00 0.00 +ATOM 575 HD22 LEU X 33 53.514 22.441 48.282 0.00 0.00 +ATOM 576 HD23 LEU X 33 54.153 24.060 48.429 0.00 0.00 +ATOM 577 C LEU X 33 51.254 20.768 45.073 0.00 0.00 +ATOM 578 O LEU X 33 50.486 20.482 46.052 0.00 0.00 +ATOM 579 N GLY X 34 51.011 20.526 43.797 0.00 0.00 +ATOM 580 H GLY X 34 51.529 21.012 43.079 0.00 0.00 +ATOM 581 CA GLY X 34 49.742 19.974 43.412 0.00 0.00 +ATOM 582 HA2 GLY X 34 49.941 19.138 42.741 0.00 0.00 +ATOM 583 HA3 GLY X 34 49.132 19.416 44.123 0.00 0.00 +ATOM 584 C GLY X 34 48.964 21.017 42.591 0.00 0.00 +ATOM 585 O GLY X 34 49.146 22.167 42.873 0.00 0.00 +ATOM 586 N ILE X 35 48.094 20.567 41.653 0.00 0.00 +ATOM 587 H ILE X 35 47.931 19.571 41.600 0.00 0.00 +ATOM 588 CA ILE X 35 47.060 21.345 40.993 0.00 0.00 +ATOM 589 HA ILE X 35 47.583 22.111 40.419 0.00 0.00 +ATOM 590 CB ILE X 35 46.304 20.387 39.983 0.00 0.00 +ATOM 591 HB ILE X 35 45.990 19.530 40.578 0.00 0.00 +ATOM 592 CG2 ILE X 35 45.073 21.000 39.202 0.00 0.00 +ATOM 593 HG21 ILE X 35 45.283 21.939 38.690 0.00 0.00 +ATOM 594 HG22 ILE X 35 44.778 20.298 38.423 0.00 0.00 +ATOM 595 HG23 ILE X 35 44.295 21.141 39.952 0.00 0.00 +ATOM 596 CG1 ILE X 35 47.366 19.919 38.937 0.00 0.00 +ATOM 597 HG12 ILE X 35 47.950 20.780 38.612 0.00 0.00 +ATOM 598 HG13 ILE X 35 48.051 19.331 39.549 0.00 0.00 +ATOM 599 CD1 ILE X 35 47.057 18.943 37.792 0.00 0.00 +ATOM 600 HD11 ILE X 35 46.575 18.012 38.092 0.00 0.00 +ATOM 601 HD12 ILE X 35 46.457 19.505 37.076 0.00 0.00 +ATOM 602 HD13 ILE X 35 47.974 18.683 37.264 0.00 0.00 +ATOM 603 C ILE X 35 46.030 21.957 41.928 0.00 0.00 +ATOM 604 O ILE X 35 45.570 21.263 42.856 0.00 0.00 +ATOM 605 N GLY X 36 45.899 23.294 41.900 0.00 0.00 +ATOM 606 H GLY X 36 46.351 23.793 41.147 0.00 0.00 +ATOM 607 CA GLY X 36 45.244 24.142 42.831 0.00 0.00 +ATOM 608 HA2 GLY X 36 45.241 25.116 42.342 0.00 0.00 +ATOM 609 HA3 GLY X 36 44.215 23.850 43.042 0.00 0.00 +ATOM 610 C GLY X 36 45.798 24.480 44.207 0.00 0.00 +ATOM 611 O GLY X 36 45.109 24.936 45.132 0.00 0.00 +ATOM 612 N GLN X 37 47.062 24.132 44.429 0.00 0.00 +ATOM 613 H GLN X 37 47.644 23.774 43.686 0.00 0.00 +ATOM 614 CA GLN X 37 47.775 24.320 45.643 0.00 0.00 +ATOM 615 HA GLN X 37 47.187 24.830 46.405 0.00 0.00 +ATOM 616 CB GLN X 37 47.975 22.947 46.281 0.00 0.00 +ATOM 617 HB2 GLN X 37 48.653 22.332 45.690 0.00 0.00 +ATOM 618 HB3 GLN X 37 48.424 23.109 47.261 0.00 0.00 +ATOM 619 CG GLN X 37 46.682 22.024 46.523 0.00 0.00 +ATOM 620 HG2 GLN X 37 46.242 21.796 45.552 0.00 0.00 +ATOM 621 HG3 GLN X 37 46.957 21.061 46.951 0.00 0.00 +ATOM 622 CD GLN X 37 45.669 22.647 47.428 0.00 0.00 +ATOM 623 OE1 GLN X 37 46.037 23.284 48.394 0.00 0.00 +ATOM 624 NE2 GLN X 37 44.414 22.445 47.177 0.00 0.00 +ATOM 625 HE21 GLN X 37 44.080 21.828 46.452 0.00 0.00 +ATOM 626 HE22 GLN X 37 43.702 22.975 47.660 0.00 0.00 +ATOM 627 C GLN X 37 49.046 25.205 45.548 0.00 0.00 +ATOM 628 O GLN X 37 49.721 25.462 46.594 0.00 0.00 +ATOM 629 N SER X 38 49.389 25.760 44.366 0.00 0.00 +ATOM 630 H SER X 38 48.928 25.391 43.547 0.00 0.00 +ATOM 631 CA SER X 38 50.436 26.801 44.082 0.00 0.00 +ATOM 632 HA SER X 38 51.075 26.836 44.964 0.00 0.00 +ATOM 633 CB SER X 38 51.435 26.384 42.987 0.00 0.00 +ATOM 634 HB2 SER X 38 52.073 25.568 43.327 0.00 0.00 +ATOM 635 HB3 SER X 38 50.940 26.152 42.044 0.00 0.00 +ATOM 636 OG SER X 38 52.189 27.554 42.805 0.00 0.00 +ATOM 637 HG SER X 38 52.935 27.635 43.404 0.00 0.00 +ATOM 638 C SER X 38 49.680 28.119 43.881 0.00 0.00 +ATOM 639 O SER X 38 49.059 28.312 42.813 0.00 0.00 +ATOM 640 N GLN X 39 49.789 29.064 44.850 0.00 0.00 +ATOM 641 H GLN X 39 50.301 28.751 45.663 0.00 0.00 +ATOM 642 CA GLN X 39 49.421 30.488 44.780 0.00 0.00 +ATOM 643 HA GLN X 39 48.399 30.562 44.409 0.00 0.00 +ATOM 644 CB GLN X 39 49.420 31.046 46.171 0.00 0.00 +ATOM 645 HB2 GLN X 39 48.546 30.606 46.651 0.00 0.00 +ATOM 646 HB3 GLN X 39 50.283 30.694 46.736 0.00 0.00 +ATOM 647 CG GLN X 39 49.207 32.527 46.309 0.00 0.00 +ATOM 648 HG2 GLN X 39 48.505 32.821 45.529 0.00 0.00 +ATOM 649 HG3 GLN X 39 48.653 32.706 47.230 0.00 0.00 +ATOM 650 CD GLN X 39 50.456 33.392 46.279 0.00 0.00 +ATOM 651 OE1 GLN X 39 51.435 32.909 46.849 0.00 0.00 +ATOM 652 NE2 GLN X 39 50.585 34.595 45.791 0.00 0.00 +ATOM 653 HE21 GLN X 39 49.846 34.956 45.206 0.00 0.00 +ATOM 654 HE22 GLN X 39 51.518 34.921 45.581 0.00 0.00 +ATOM 655 C GLN X 39 50.260 31.346 43.814 0.00 0.00 +ATOM 656 O GLN X 39 49.712 32.263 43.167 0.00 0.00 +ATOM 657 N GLU X 40 51.493 30.957 43.570 0.00 0.00 +ATOM 658 H GLU X 40 51.887 30.204 44.116 0.00 0.00 +ATOM 659 CA GLU X 40 52.277 31.393 42.400 0.00 0.00 +ATOM 660 HA GLU X 40 52.337 32.481 42.432 0.00 0.00 +ATOM 661 CB GLU X 40 53.701 30.848 42.391 0.00 0.00 +ATOM 662 HB2 GLU X 40 53.666 29.795 42.673 0.00 0.00 +ATOM 663 HB3 GLU X 40 54.170 30.820 41.408 0.00 0.00 +ATOM 664 CG GLU X 40 54.729 31.671 43.199 0.00 0.00 +ATOM 665 HG2 GLU X 40 55.699 31.471 42.745 0.00 0.00 +ATOM 666 HG3 GLU X 40 54.382 32.697 43.076 0.00 0.00 +ATOM 667 CD GLU X 40 54.774 31.327 44.700 0.00 0.00 +ATOM 668 OE1 GLU X 40 55.656 31.909 45.407 0.00 0.00 +ATOM 669 OE2 GLU X 40 53.795 30.688 45.175 0.00 0.00 +ATOM 670 C GLU X 40 51.609 31.011 40.998 0.00 0.00 +ATOM 671 O GLU X 40 51.542 31.836 40.119 0.00 0.00 +ATOM 672 N MET X 41 51.075 29.804 40.863 0.00 0.00 +ATOM 673 H MET X 41 51.173 29.152 41.628 0.00 0.00 +ATOM 674 CA MET X 41 50.341 29.391 39.615 0.00 0.00 +ATOM 675 HA MET X 41 51.006 29.548 38.766 0.00 0.00 +ATOM 676 CB MET X 41 50.186 27.867 39.646 0.00 0.00 +ATOM 677 HB2 MET X 41 51.185 27.443 39.743 0.00 0.00 +ATOM 678 HB3 MET X 41 49.608 27.430 40.460 0.00 0.00 +ATOM 679 CG MET X 41 49.547 27.320 38.359 0.00 0.00 +ATOM 680 HG2 MET X 41 49.217 26.293 38.517 0.00 0.00 +ATOM 681 HG3 MET X 41 48.662 27.928 38.173 0.00 0.00 +ATOM 682 SD MET X 41 50.605 27.426 36.878 0.00 0.00 +ATOM 683 CE MET X 41 49.342 27.478 35.522 0.00 0.00 +ATOM 684 HE1 MET X 41 48.785 28.415 35.495 0.00 0.00 +ATOM 685 HE2 MET X 41 49.852 27.346 34.568 0.00 0.00 +ATOM 686 HE3 MET X 41 48.497 26.793 35.596 0.00 0.00 +ATOM 687 C MET X 41 49.097 30.221 39.274 0.00 0.00 +ATOM 688 O MET X 41 48.928 30.478 38.087 0.00 0.00 +ATOM 689 N ASN X 42 48.417 30.770 40.297 0.00 0.00 +ATOM 690 H ASN X 42 48.621 30.468 41.239 0.00 0.00 +ATOM 691 CA ASN X 42 47.387 31.698 40.098 0.00 0.00 +ATOM 692 HA ASN X 42 46.703 31.172 39.431 0.00 0.00 +ATOM 693 CB ASN X 42 46.639 31.807 41.477 0.00 0.00 +ATOM 694 HB2 ASN X 42 47.359 32.175 42.208 0.00 0.00 +ATOM 695 HB3 ASN X 42 45.901 32.608 41.432 0.00 0.00 +ATOM 696 CG ASN X 42 45.855 30.573 42.000 0.00 0.00 +ATOM 697 OD1 ASN X 42 45.650 29.605 41.277 0.00 0.00 +ATOM 698 ND2 ASN X 42 45.609 30.480 43.290 0.00 0.00 +ATOM 699 HD21 ASN X 42 45.593 31.326 43.842 0.00 0.00 +ATOM 700 HD22 ASN X 42 45.084 29.657 43.551 0.00 0.00 +ATOM 701 C ASN X 42 47.877 32.998 39.426 0.00 0.00 +ATOM 702 O ASN X 42 47.194 33.468 38.529 0.00 0.00 +ATOM 703 N THR X 43 49.075 33.518 39.784 0.00 0.00 +ATOM 704 H THR X 43 49.737 33.126 40.438 0.00 0.00 +ATOM 705 CA THR X 43 49.584 34.756 39.098 0.00 0.00 +ATOM 706 HA THR X 43 48.832 35.542 39.178 0.00 0.00 +ATOM 707 CB THR X 43 50.921 35.222 39.644 0.00 0.00 +ATOM 708 HB THR X 43 51.195 36.211 39.277 0.00 0.00 +ATOM 709 CG2 THR X 43 50.970 35.384 41.150 0.00 0.00 +ATOM 710 HG21 THR X 43 51.930 35.764 41.498 0.00 0.00 +ATOM 711 HG22 THR X 43 50.099 35.922 41.526 0.00 0.00 +ATOM 712 HG23 THR X 43 50.877 34.363 41.519 0.00 0.00 +ATOM 713 OG1 THR X 43 52.060 34.407 39.315 0.00 0.00 +ATOM 714 HG1 THR X 43 51.816 33.505 39.535 0.00 0.00 +ATOM 715 C THR X 43 49.837 34.544 37.592 0.00 0.00 +ATOM 716 O THR X 43 49.570 35.544 36.856 0.00 0.00 +ATOM 717 N LEU X 44 50.339 33.405 37.066 0.00 0.00 +ATOM 718 H LEU X 44 50.553 32.614 37.658 0.00 0.00 +ATOM 719 CA LEU X 44 50.407 33.092 35.634 0.00 0.00 +ATOM 720 HA LEU X 44 51.055 33.798 35.115 0.00 0.00 +ATOM 721 CB LEU X 44 51.072 31.720 35.463 0.00 0.00 +ATOM 722 HB2 LEU X 44 52.021 31.709 36.000 0.00 0.00 +ATOM 723 HB3 LEU X 44 50.467 30.953 35.946 0.00 0.00 +ATOM 724 CG LEU X 44 51.423 31.237 33.993 0.00 0.00 +ATOM 725 HG LEU X 44 50.525 31.195 33.377 0.00 0.00 +ATOM 726 CD1 LEU X 44 52.241 32.298 33.293 0.00 0.00 +ATOM 727 HD11 LEU X 44 51.671 33.216 33.150 0.00 0.00 +ATOM 728 HD12 LEU X 44 53.205 32.518 33.752 0.00 0.00 +ATOM 729 HD13 LEU X 44 52.421 32.000 32.260 0.00 0.00 +ATOM 730 CD2 LEU X 44 52.184 29.854 34.030 0.00 0.00 +ATOM 731 HD21 LEU X 44 53.206 30.028 34.366 0.00 0.00 +ATOM 732 HD22 LEU X 44 51.798 29.074 34.686 0.00 0.00 +ATOM 733 HD23 LEU X 44 52.130 29.630 32.965 0.00 0.00 +ATOM 734 C LEU X 44 49.138 32.964 34.843 0.00 0.00 +ATOM 735 O LEU X 44 49.010 33.541 33.741 0.00 0.00 +ATOM 736 N PHE X 45 48.091 32.345 35.487 0.00 0.00 +ATOM 737 H PHE X 45 48.286 31.855 36.348 0.00 0.00 +ATOM 738 CA PHE X 45 46.705 32.588 35.069 0.00 0.00 +ATOM 739 HA PHE X 45 46.692 32.202 34.050 0.00 0.00 +ATOM 740 CB PHE X 45 45.819 31.747 35.975 0.00 0.00 +ATOM 741 HB2 PHE X 45 46.255 31.771 36.974 0.00 0.00 +ATOM 742 HB3 PHE X 45 44.787 32.090 36.041 0.00 0.00 +ATOM 743 CG PHE X 45 45.711 30.276 35.602 0.00 0.00 +ATOM 744 CD1 PHE X 45 45.302 29.873 34.315 0.00 0.00 +ATOM 745 HD1 PHE X 45 45.145 30.626 33.557 0.00 0.00 +ATOM 746 CE1 PHE X 45 45.306 28.548 33.893 0.00 0.00 +ATOM 747 HE1 PHE X 45 44.987 28.175 32.932 0.00 0.00 +ATOM 748 CZ PHE X 45 45.610 27.562 34.861 0.00 0.00 +ATOM 749 HZ PHE X 45 45.520 26.533 34.546 0.00 0.00 +ATOM 750 CE2 PHE X 45 45.931 27.919 36.218 0.00 0.00 +ATOM 751 HE2 PHE X 45 46.448 27.199 36.835 0.00 0.00 +ATOM 752 CD2 PHE X 45 46.025 29.275 36.539 0.00 0.00 +ATOM 753 HD2 PHE X 45 46.435 29.535 37.504 0.00 0.00 +ATOM 754 C PHE X 45 46.226 34.030 35.010 0.00 0.00 +ATOM 755 O PHE X 45 45.585 34.348 34.010 0.00 0.00 +ATOM 756 N ARG X 46 46.616 34.856 36.011 0.00 0.00 +ATOM 757 H ARG X 46 46.846 34.403 36.884 0.00 0.00 +ATOM 758 CA ARG X 46 46.296 36.341 35.895 0.00 0.00 +ATOM 759 HA ARG X 46 45.268 36.670 35.747 0.00 0.00 +ATOM 760 CB ARG X 46 46.707 36.992 37.236 0.00 0.00 +ATOM 761 HB2 ARG X 46 46.080 36.495 37.977 0.00 0.00 +ATOM 762 HB3 ARG X 46 47.739 36.806 37.535 0.00 0.00 +ATOM 763 CG ARG X 46 46.425 38.501 37.138 0.00 0.00 +ATOM 764 HG2 ARG X 46 47.008 38.968 36.344 0.00 0.00 +ATOM 765 HG3 ARG X 46 45.339 38.540 37.049 0.00 0.00 +ATOM 766 CD ARG X 46 46.753 39.261 38.410 0.00 0.00 +ATOM 767 HD2 ARG X 46 46.825 38.510 39.197 0.00 0.00 +ATOM 768 HD3 ARG X 46 47.726 39.742 38.307 0.00 0.00 +ATOM 769 NE ARG X 46 45.638 40.299 38.782 0.00 0.00 +ATOM 770 HE ARG X 46 45.025 40.059 39.549 0.00 0.00 +ATOM 771 CZ ARG X 46 45.466 41.438 38.236 0.00 0.00 +ATOM 772 NH1 ARG X 46 46.263 41.932 37.353 0.00 0.00 +ATOM 773 HH11 ARG X 46 46.978 41.319 36.989 0.00 0.00 +ATOM 774 HH12 ARG X 46 46.110 42.873 37.018 0.00 0.00 +ATOM 775 NH2 ARG X 46 44.488 42.193 38.556 0.00 0.00 +ATOM 776 HH21 ARG X 46 43.906 41.956 39.347 0.00 0.00 +ATOM 777 HH22 ARG X 46 44.362 42.993 37.952 0.00 0.00 +ATOM 778 C ARG X 46 47.043 37.035 34.729 0.00 0.00 +ATOM 779 O ARG X 46 46.420 37.721 33.946 0.00 0.00 +ATOM 780 N PHE X 47 48.352 36.877 34.514 0.00 0.00 +ATOM 781 H PHE X 47 48.803 36.305 35.214 0.00 0.00 +ATOM 782 CA PHE X 47 49.070 37.368 33.281 0.00 0.00 +ATOM 783 HA PHE X 47 49.093 38.451 33.406 0.00 0.00 +ATOM 784 CB PHE X 47 50.504 36.893 33.212 0.00 0.00 +ATOM 785 HB2 PHE X 47 50.986 37.399 34.048 0.00 0.00 +ATOM 786 HB3 PHE X 47 50.420 35.842 33.490 0.00 0.00 +ATOM 787 CG PHE X 47 51.240 37.027 31.869 0.00 0.00 +ATOM 788 CD1 PHE X 47 51.475 38.314 31.348 0.00 0.00 +ATOM 789 HD1 PHE X 47 51.288 39.142 32.015 0.00 0.00 +ATOM 790 CE1 PHE X 47 52.034 38.475 30.035 0.00 0.00 +ATOM 791 HE1 PHE X 47 52.106 39.483 29.655 0.00 0.00 +ATOM 792 CZ PHE X 47 52.298 37.350 29.303 0.00 0.00 +ATOM 793 HZ PHE X 47 52.556 37.530 28.270 0.00 0.00 +ATOM 794 CE2 PHE X 47 51.957 36.061 29.788 0.00 0.00 +ATOM 795 HE2 PHE X 47 52.188 35.277 29.082 0.00 0.00 +ATOM 796 CD2 PHE X 47 51.383 35.854 31.073 0.00 0.00 +ATOM 797 HD2 PHE X 47 50.947 34.897 31.322 0.00 0.00 +ATOM 798 C PHE X 47 48.266 37.018 31.970 0.00 0.00 +ATOM 799 O PHE X 47 47.841 37.880 31.181 0.00 0.00 +ATOM 800 N TRP X 48 47.946 35.725 31.823 0.00 0.00 +ATOM 801 H TRP X 48 48.317 34.975 32.388 0.00 0.00 +ATOM 802 CA TRP X 48 47.152 35.239 30.710 0.00 0.00 +ATOM 803 HA TRP X 48 47.576 35.559 29.758 0.00 0.00 +ATOM 804 CB TRP X 48 47.248 33.712 30.741 0.00 0.00 +ATOM 805 HB2 TRP X 48 47.132 33.373 31.771 0.00 0.00 +ATOM 806 HB3 TRP X 48 46.465 33.243 30.145 0.00 0.00 +ATOM 807 CG TRP X 48 48.490 32.905 30.436 0.00 0.00 +ATOM 808 CD1 TRP X 48 49.564 33.300 29.739 0.00 0.00 +ATOM 809 HD1 TRP X 48 49.736 34.274 29.307 0.00 0.00 +ATOM 810 NE1 TRP X 48 50.462 32.294 29.622 0.00 0.00 +ATOM 811 HE1 TRP X 48 51.262 32.421 29.018 0.00 0.00 +ATOM 812 CE2 TRP X 48 50.070 31.185 30.378 0.00 0.00 +ATOM 813 CZ2 TRP X 48 50.570 29.946 30.558 0.00 0.00 +ATOM 814 HZ2 TRP X 48 51.514 29.687 30.102 0.00 0.00 +ATOM 815 CH2 TRP X 48 49.834 28.976 31.311 0.00 0.00 +ATOM 816 HH2 TRP X 48 50.274 28.006 31.489 0.00 0.00 +ATOM 817 CZ3 TRP X 48 48.572 29.223 31.856 0.00 0.00 +ATOM 818 HZ3 TRP X 48 47.957 28.451 32.293 0.00 0.00 +ATOM 819 CE3 TRP X 48 48.083 30.533 31.605 0.00 0.00 +ATOM 820 HE3 TRP X 48 47.082 30.772 31.934 0.00 0.00 +ATOM 821 CD2 TRP X 48 48.817 31.550 30.827 0.00 0.00 +ATOM 822 C TRP X 48 45.735 35.761 30.652 0.00 0.00 +ATOM 823 O TRP X 48 45.401 36.063 29.557 0.00 0.00 +ATOM 824 N SER X 49 44.961 35.904 31.707 0.00 0.00 +ATOM 825 H SER X 49 45.167 35.578 32.640 0.00 0.00 +ATOM 826 CA SER X 49 43.771 36.755 31.640 0.00 0.00 +ATOM 827 HA SER X 49 42.965 36.237 31.121 0.00 0.00 +ATOM 828 CB SER X 49 43.208 36.729 33.014 0.00 0.00 +ATOM 829 HB2 SER X 49 43.184 35.682 33.318 0.00 0.00 +ATOM 830 HB3 SER X 49 43.918 37.284 33.627 0.00 0.00 +ATOM 831 OG SER X 49 41.904 37.302 33.010 0.00 0.00 +ATOM 832 HG SER X 49 41.354 36.569 32.722 0.00 0.00 +ATOM 833 C SER X 49 43.899 38.165 31.125 0.00 0.00 +ATOM 834 O SER X 49 42.905 38.635 30.547 0.00 0.00 +ATOM 835 N PHE X 50 44.935 38.869 31.464 0.00 0.00 +ATOM 836 H PHE X 50 45.756 38.446 31.874 0.00 0.00 +ATOM 837 CA PHE X 50 45.079 40.254 31.033 0.00 0.00 +ATOM 838 HA PHE X 50 44.118 40.716 30.805 0.00 0.00 +ATOM 839 CB PHE X 50 45.661 41.050 32.202 0.00 0.00 +ATOM 840 HB2 PHE X 50 46.570 40.529 32.504 0.00 0.00 +ATOM 841 HB3 PHE X 50 45.993 41.988 31.757 0.00 0.00 +ATOM 842 CG PHE X 50 44.714 41.425 33.358 0.00 0.00 +ATOM 843 CD1 PHE X 50 44.226 42.756 33.363 0.00 0.00 +ATOM 844 HD1 PHE X 50 44.521 43.561 32.705 0.00 0.00 +ATOM 845 CE1 PHE X 50 43.344 43.172 34.343 0.00 0.00 +ATOM 846 HE1 PHE X 50 43.104 44.223 34.273 0.00 0.00 +ATOM 847 CZ PHE X 50 42.829 42.238 35.240 0.00 0.00 +ATOM 848 HZ PHE X 50 42.238 42.591 36.073 0.00 0.00 +ATOM 849 CE2 PHE X 50 43.344 40.933 35.228 0.00 0.00 +ATOM 850 HE2 PHE X 50 42.895 40.173 35.851 0.00 0.00 +ATOM 851 CD2 PHE X 50 44.213 40.487 34.216 0.00 0.00 +ATOM 852 HD2 PHE X 50 44.645 39.499 34.269 0.00 0.00 +ATOM 853 C PHE X 50 45.805 40.440 29.721 0.00 0.00 +ATOM 854 O PHE X 50 45.409 41.341 28.989 0.00 0.00 +ATOM 855 N PHE X 51 46.868 39.680 29.381 0.00 0.00 +ATOM 856 H PHE X 51 47.054 38.890 29.981 0.00 0.00 +ATOM 857 CA PHE X 51 47.690 39.909 28.223 0.00 0.00 +ATOM 858 HA PHE X 51 48.161 40.891 28.284 0.00 0.00 +ATOM 859 CB PHE X 51 48.814 38.884 28.268 0.00 0.00 +ATOM 860 HB2 PHE X 51 49.350 39.130 29.184 0.00 0.00 +ATOM 861 HB3 PHE X 51 48.451 37.876 28.469 0.00 0.00 +ATOM 862 CG PHE X 51 49.746 38.873 27.056 0.00 0.00 +ATOM 863 CD1 PHE X 51 50.628 39.934 26.767 0.00 0.00 +ATOM 864 HD1 PHE X 51 50.654 40.810 27.399 0.00 0.00 +ATOM 865 CE1 PHE X 51 51.553 39.775 25.740 0.00 0.00 +ATOM 866 HE1 PHE X 51 52.246 40.581 25.550 0.00 0.00 +ATOM 867 CZ PHE X 51 51.567 38.600 24.914 0.00 0.00 +ATOM 868 HZ PHE X 51 52.219 38.544 24.055 0.00 0.00 +ATOM 869 CE2 PHE X 51 50.518 37.740 25.040 0.00 0.00 +ATOM 870 HE2 PHE X 51 50.407 36.851 24.438 0.00 0.00 +ATOM 871 CD2 PHE X 51 49.639 37.865 26.137 0.00 0.00 +ATOM 872 HD2 PHE X 51 49.064 36.979 26.363 0.00 0.00 +ATOM 873 C PHE X 51 46.996 39.807 26.918 0.00 0.00 +ATOM 874 O PHE X 51 47.042 40.728 26.093 0.00 0.00 +ATOM 875 N LEU X 52 46.218 38.770 26.675 0.00 0.00 +ATOM 876 H LEU X 52 46.127 38.177 27.488 0.00 0.00 +ATOM 877 CA LEU X 52 45.522 38.467 25.424 0.00 0.00 +ATOM 878 HA LEU X 52 46.256 38.501 24.619 0.00 0.00 +ATOM 879 CB LEU X 52 44.848 37.065 25.455 0.00 0.00 +ATOM 880 HB2 LEU X 52 44.091 37.056 26.239 0.00 0.00 +ATOM 881 HB3 LEU X 52 44.290 36.781 24.562 0.00 0.00 +ATOM 882 CG LEU X 52 45.704 35.869 25.771 0.00 0.00 +ATOM 883 HG LEU X 52 46.470 36.113 26.508 0.00 0.00 +ATOM 884 CD1 LEU X 52 44.763 34.845 26.356 0.00 0.00 +ATOM 885 HD11 LEU X 52 43.922 34.492 25.760 0.00 0.00 +ATOM 886 HD12 LEU X 52 45.333 33.980 26.698 0.00 0.00 +ATOM 887 HD13 LEU X 52 44.376 35.272 27.281 0.00 0.00 +ATOM 888 CD2 LEU X 52 46.344 35.249 24.488 0.00 0.00 +ATOM 889 HD21 LEU X 52 47.205 35.856 24.206 0.00 0.00 +ATOM 890 HD22 LEU X 52 46.665 34.218 24.631 0.00 0.00 +ATOM 891 HD23 LEU X 52 45.694 35.327 23.617 0.00 0.00 +ATOM 892 C LEU X 52 44.458 39.522 25.089 0.00 0.00 +ATOM 893 O LEU X 52 44.003 39.548 23.972 0.00 0.00 +ATOM 894 N ARG X 53 44.178 40.481 25.990 0.00 0.00 +ATOM 895 H ARG X 53 44.715 40.463 26.845 0.00 0.00 +ATOM 896 CA ARG X 53 43.268 41.620 25.733 0.00 0.00 +ATOM 897 HA ARG X 53 42.392 41.094 25.354 0.00 0.00 +ATOM 898 CB ARG X 53 42.792 42.304 27.120 0.00 0.00 +ATOM 899 HB2 ARG X 53 43.635 42.742 27.654 0.00 0.00 +ATOM 900 HB3 ARG X 53 42.053 43.057 26.845 0.00 0.00 +ATOM 901 CG ARG X 53 42.164 41.320 28.110 0.00 0.00 +ATOM 902 HG2 ARG X 53 41.215 40.964 27.709 0.00 0.00 +ATOM 903 HG3 ARG X 53 42.814 40.476 28.339 0.00 0.00 +ATOM 904 CD ARG X 53 41.915 42.067 29.429 0.00 0.00 +ATOM 905 HD2 ARG X 53 42.812 42.620 29.711 0.00 0.00 +ATOM 906 HD3 ARG X 53 41.023 42.674 29.272 0.00 0.00 +ATOM 907 NE ARG X 53 41.629 41.084 30.563 0.00 0.00 +ATOM 908 HE ARG X 53 42.165 40.233 30.471 0.00 0.00 +ATOM 909 CZ ARG X 53 41.023 41.299 31.732 0.00 0.00 +ATOM 910 NH1 ARG X 53 40.638 42.511 32.079 0.00 0.00 +ATOM 911 HH11 ARG X 53 40.864 43.392 31.640 0.00 0.00 +ATOM 912 HH12 ARG X 53 40.211 42.640 32.986 0.00 0.00 +ATOM 913 NH2 ARG X 53 40.813 40.440 32.596 0.00 0.00 +ATOM 914 HH21 ARG X 53 41.162 39.510 32.412 0.00 0.00 +ATOM 915 HH22 ARG X 53 40.326 40.747 33.426 0.00 0.00 +ATOM 916 C ARG X 53 43.748 42.667 24.775 0.00 0.00 +ATOM 917 O ARG X 53 43.093 43.166 23.870 0.00 0.00 +ATOM 918 N ASP X 54 45.050 42.936 24.916 0.00 0.00 +ATOM 919 H ASP X 54 45.487 42.443 25.681 0.00 0.00 +ATOM 920 CA ASP X 54 45.720 43.889 24.035 0.00 0.00 +ATOM 921 HA ASP X 54 45.076 44.290 23.253 0.00 0.00 +ATOM 922 CB ASP X 54 46.278 45.147 24.897 0.00 0.00 +ATOM 923 HB2 ASP X 54 47.055 44.704 25.519 0.00 0.00 +ATOM 924 HB3 ASP X 54 46.653 45.910 24.215 0.00 0.00 +ATOM 925 CG ASP X 54 45.132 45.715 25.783 0.00 0.00 +ATOM 926 OD1 ASP X 54 44.929 45.410 27.008 0.00 0.00 +ATOM 927 OD2 ASP X 54 44.263 46.430 25.227 0.00 0.00 +ATOM 928 C ASP X 54 46.885 43.298 23.124 0.00 0.00 +ATOM 929 O ASP X 54 47.545 43.950 22.320 0.00 0.00 +ATOM 930 N HID X 55 47.136 41.995 23.370 0.00 0.00 +ATOM 931 H HID X 55 46.643 41.536 24.123 0.00 0.00 +ATOM 932 CA HID X 55 48.102 41.155 22.661 0.00 0.00 +ATOM 933 HA HID X 55 48.195 41.595 21.668 0.00 0.00 +ATOM 934 CB HID X 55 49.523 41.221 23.272 0.00 0.00 +ATOM 935 HB2 HID X 55 49.566 40.399 23.987 0.00 0.00 +ATOM 936 HB3 HID X 55 50.376 41.094 22.606 0.00 0.00 +ATOM 937 CG HID X 55 49.841 42.415 24.124 0.00 0.00 +ATOM 938 ND1 HID X 55 49.211 42.684 25.319 0.00 0.00 +ATOM 939 HD1 HID X 55 48.521 42.147 25.826 0.00 0.00 +ATOM 940 CE1 HID X 55 49.794 43.792 25.836 0.00 0.00 +ATOM 941 HE1 HID X 55 49.365 44.302 26.686 0.00 0.00 +ATOM 942 NE2 HID X 55 50.596 44.342 24.922 0.00 0.00 +ATOM 943 CD2 HID X 55 50.673 43.460 23.859 0.00 0.00 +ATOM 944 HD2 HID X 55 51.238 43.703 22.970 0.00 0.00 +ATOM 945 C HID X 55 47.628 39.692 22.470 0.00 0.00 +ATOM 946 O HID X 55 48.204 38.728 23.034 0.00 0.00 +ATOM 947 N PHE X 56 46.634 39.334 21.625 0.00 0.00 +ATOM 948 H PHE X 56 46.212 40.068 21.074 0.00 0.00 +ATOM 949 CA PHE X 56 46.279 37.943 21.271 0.00 0.00 +ATOM 950 HA PHE X 56 45.994 37.422 22.184 0.00 0.00 +ATOM 951 CB PHE X 56 44.995 38.038 20.528 0.00 0.00 +ATOM 952 HB2 PHE X 56 44.339 38.598 21.196 0.00 0.00 +ATOM 953 HB3 PHE X 56 45.081 38.670 19.645 0.00 0.00 +ATOM 954 CG PHE X 56 44.358 36.779 20.116 0.00 0.00 +ATOM 955 CD1 PHE X 56 43.500 36.162 21.020 0.00 0.00 +ATOM 956 HD1 PHE X 56 43.233 36.706 21.915 0.00 0.00 +ATOM 957 CE1 PHE X 56 42.977 34.869 20.833 0.00 0.00 +ATOM 958 HE1 PHE X 56 42.385 34.379 21.592 0.00 0.00 +ATOM 959 CZ PHE X 56 43.477 34.164 19.703 0.00 0.00 +ATOM 960 HZ PHE X 56 43.248 33.111 19.637 0.00 0.00 +ATOM 961 CE2 PHE X 56 44.269 34.806 18.739 0.00 0.00 +ATOM 962 HE2 PHE X 56 44.550 34.441 17.762 0.00 0.00 +ATOM 963 CD2 PHE X 56 44.718 36.089 18.924 0.00 0.00 +ATOM 964 HD2 PHE X 56 45.281 36.596 18.155 0.00 0.00 +ATOM 965 C PHE X 56 47.391 37.046 20.570 0.00 0.00 +ATOM 966 O PHE X 56 48.058 37.490 19.653 0.00 0.00 +ATOM 967 N ASN X 57 47.585 35.873 21.171 0.00 0.00 +ATOM 968 H ASN X 57 46.943 35.554 21.881 0.00 0.00 +ATOM 969 CA ASN X 57 48.458 34.835 20.547 0.00 0.00 +ATOM 970 HA ASN X 57 48.883 34.987 19.555 0.00 0.00 +ATOM 971 CB ASN X 57 49.797 34.815 21.414 0.00 0.00 +ATOM 972 HB2 ASN X 57 50.243 35.804 21.306 0.00 0.00 +ATOM 973 HB3 ASN X 57 49.499 34.650 22.449 0.00 0.00 +ATOM 974 CG ASN X 57 50.750 33.762 20.929 0.00 0.00 +ATOM 975 OD1 ASN X 57 50.595 32.507 21.111 0.00 0.00 +ATOM 976 ND2 ASN X 57 51.863 34.039 20.354 0.00 0.00 +ATOM 977 HD21 ASN X 57 52.200 34.979 20.504 0.00 0.00 +ATOM 978 HD22 ASN X 57 52.391 33.243 20.027 0.00 0.00 +ATOM 979 C ASN X 57 47.704 33.534 20.504 0.00 0.00 +ATOM 980 O ASN X 57 47.249 33.070 21.538 0.00 0.00 +ATOM 981 N LYS X 58 47.655 32.890 19.301 0.00 0.00 +ATOM 982 H LYS X 58 48.071 33.355 18.507 0.00 0.00 +ATOM 983 CA LYS X 58 46.769 31.706 19.030 0.00 0.00 +ATOM 984 HA LYS X 58 45.780 31.945 19.421 0.00 0.00 +ATOM 985 CB LYS X 58 46.809 31.334 17.555 0.00 0.00 +ATOM 986 HB2 LYS X 58 46.334 32.111 16.956 0.00 0.00 +ATOM 987 HB3 LYS X 58 47.829 31.264 17.175 0.00 0.00 +ATOM 988 CG LYS X 58 46.206 30.032 17.134 0.00 0.00 +ATOM 989 HG2 LYS X 58 46.464 29.909 16.083 0.00 0.00 +ATOM 990 HG3 LYS X 58 46.728 29.232 17.659 0.00 0.00 +ATOM 991 CD LYS X 58 44.691 29.858 17.258 0.00 0.00 +ATOM 992 HD2 LYS X 58 44.361 30.306 18.195 0.00 0.00 +ATOM 993 HD3 LYS X 58 44.187 30.430 16.479 0.00 0.00 +ATOM 994 CE LYS X 58 44.382 28.376 17.198 0.00 0.00 +ATOM 995 HE2 LYS X 58 45.106 27.916 16.526 0.00 0.00 +ATOM 996 HE3 LYS X 58 44.493 28.100 18.247 0.00 0.00 +ATOM 997 NZ LYS X 58 42.969 28.252 16.661 0.00 0.00 +ATOM 998 HZ1 LYS X 58 42.300 28.901 17.050 0.00 0.00 +ATOM 999 HZ2 LYS X 58 43.060 28.420 15.669 0.00 0.00 +ATOM 1000 HZ3 LYS X 58 42.613 27.339 16.906 0.00 0.00 +ATOM 1001 C LYS X 58 47.066 30.466 19.897 0.00 0.00 +ATOM 1002 O LYS X 58 46.275 29.680 20.372 0.00 0.00 +ATOM 1003 N LYS X 59 48.397 30.294 20.041 0.00 0.00 +ATOM 1004 H LYS X 59 48.979 30.958 19.552 0.00 0.00 +ATOM 1005 CA LYS X 59 49.087 29.181 20.745 0.00 0.00 +ATOM 1006 HA LYS X 59 48.495 28.297 20.509 0.00 0.00 +ATOM 1007 CB LYS X 59 50.562 29.089 20.340 0.00 0.00 +ATOM 1008 HB2 LYS X 59 51.051 30.038 20.560 0.00 0.00 +ATOM 1009 HB3 LYS X 59 50.972 28.436 21.110 0.00 0.00 +ATOM 1010 CG LYS X 59 50.838 28.643 18.884 0.00 0.00 +ATOM 1011 HG2 LYS X 59 50.447 27.645 18.686 0.00 0.00 +ATOM 1012 HG3 LYS X 59 50.279 29.267 18.186 0.00 0.00 +ATOM 1013 CD LYS X 59 52.343 28.638 18.582 0.00 0.00 +ATOM 1014 HD2 LYS X 59 52.516 28.494 17.515 0.00 0.00 +ATOM 1015 HD3 LYS X 59 52.850 29.517 18.981 0.00 0.00 +ATOM 1016 CE LYS X 59 52.902 27.351 19.193 0.00 0.00 +ATOM 1017 HE2 LYS X 59 52.388 27.170 20.137 0.00 0.00 +ATOM 1018 HE3 LYS X 59 52.658 26.483 18.580 0.00 0.00 +ATOM 1019 NZ LYS X 59 54.361 27.358 19.551 0.00 0.00 +ATOM 1020 HZ1 LYS X 59 54.544 28.143 20.159 0.00 0.00 +ATOM 1021 HZ2 LYS X 59 54.558 26.555 20.130 0.00 0.00 +ATOM 1022 HZ3 LYS X 59 55.024 27.406 18.791 0.00 0.00 +ATOM 1023 C LYS X 59 48.930 29.393 22.240 0.00 0.00 +ATOM 1024 O LYS X 59 48.652 28.410 22.916 0.00 0.00 +ATOM 1025 N MET X 60 49.223 30.582 22.765 0.00 0.00 +ATOM 1026 H MET X 60 49.632 31.260 22.138 0.00 0.00 +ATOM 1027 CA MET X 60 48.969 30.849 24.181 0.00 0.00 +ATOM 1028 HA MET X 60 49.530 30.102 24.742 0.00 0.00 +ATOM 1029 CB MET X 60 49.632 32.124 24.560 0.00 0.00 +ATOM 1030 HB2 MET X 60 50.585 32.195 24.035 0.00 0.00 +ATOM 1031 HB3 MET X 60 49.086 33.003 24.217 0.00 0.00 +ATOM 1032 CG MET X 60 49.839 32.386 26.052 0.00 0.00 +ATOM 1033 HG2 MET X 60 48.911 32.270 26.613 0.00 0.00 +ATOM 1034 HG3 MET X 60 50.476 31.573 26.402 0.00 0.00 +ATOM 1035 SD MET X 60 50.419 34.035 26.630 0.00 0.00 +ATOM 1036 CE MET X 60 52.080 34.116 25.990 0.00 0.00 +ATOM 1037 HE1 MET X 60 52.741 34.070 26.855 0.00 0.00 +ATOM 1038 HE2 MET X 60 52.216 33.299 25.282 0.00 0.00 +ATOM 1039 HE3 MET X 60 52.302 34.987 25.372 0.00 0.00 +ATOM 1040 C MET X 60 47.512 30.896 24.693 0.00 0.00 +ATOM 1041 O MET X 60 47.278 30.482 25.809 0.00 0.00 +ATOM 1042 N TYR X 61 46.538 31.210 23.881 0.00 0.00 +ATOM 1043 H TYR X 61 46.805 31.544 22.967 0.00 0.00 +ATOM 1044 CA TYR X 61 45.117 31.120 24.168 0.00 0.00 +ATOM 1045 HA TYR X 61 44.881 31.451 25.179 0.00 0.00 +ATOM 1046 CB TYR X 61 44.410 31.985 23.124 0.00 0.00 +ATOM 1047 HB2 TYR X 61 44.413 33.031 23.428 0.00 0.00 +ATOM 1048 HB3 TYR X 61 44.817 31.880 22.118 0.00 0.00 +ATOM 1049 CG TYR X 61 42.919 31.777 23.178 0.00 0.00 +ATOM 1050 CD1 TYR X 61 42.143 31.930 24.393 0.00 0.00 +ATOM 1051 HD1 TYR X 61 42.522 32.304 25.332 0.00 0.00 +ATOM 1052 CE1 TYR X 61 40.725 31.660 24.366 0.00 0.00 +ATOM 1053 HE1 TYR X 61 40.095 31.822 25.228 0.00 0.00 +ATOM 1054 CZ TYR X 61 40.103 31.145 23.243 0.00 0.00 +ATOM 1055 OH TYR X 61 38.760 30.851 23.269 0.00 0.00 +ATOM 1056 HH TYR X 61 38.531 30.500 22.405 0.00 0.00 +ATOM 1057 CE2 TYR X 61 40.841 31.019 22.026 0.00 0.00 +ATOM 1058 HE2 TYR X 61 40.366 30.706 21.108 0.00 0.00 +ATOM 1059 CD2 TYR X 61 42.256 31.226 22.028 0.00 0.00 +ATOM 1060 HD2 TYR X 61 42.796 31.086 21.103 0.00 0.00 +ATOM 1061 C TYR X 61 44.675 29.659 24.325 0.00 0.00 +ATOM 1062 O TYR X 61 44.296 29.205 25.385 0.00 0.00 +ATOM 1063 N GLU X 62 44.900 28.834 23.310 0.00 0.00 +ATOM 1064 H GLU X 62 45.241 29.206 22.435 0.00 0.00 +ATOM 1065 CA GLU X 62 44.559 27.425 23.317 0.00 0.00 +ATOM 1066 HA GLU X 62 43.519 27.250 23.593 0.00 0.00 +ATOM 1067 CB GLU X 62 44.877 26.925 21.892 0.00 0.00 +ATOM 1068 HB2 GLU X 62 45.739 27.403 21.426 0.00 0.00 +ATOM 1069 HB3 GLU X 62 45.185 25.880 21.932 0.00 0.00 +ATOM 1070 CG GLU X 62 43.734 27.056 20.942 0.00 0.00 +ATOM 1071 HG2 GLU X 62 43.475 28.110 20.844 0.00 0.00 +ATOM 1072 HG3 GLU X 62 44.041 26.666 19.972 0.00 0.00 +ATOM 1073 CD GLU X 62 42.492 26.479 21.488 0.00 0.00 +ATOM 1074 OE1 GLU X 62 42.454 25.509 22.316 0.00 0.00 +ATOM 1075 OE2 GLU X 62 41.386 26.836 20.981 0.00 0.00 +ATOM 1076 C GLU X 62 45.419 26.576 24.307 0.00 0.00 +ATOM 1077 O GLU X 62 44.996 25.524 24.730 0.00 0.00 +ATOM 1078 N GLU X 63 46.525 27.129 24.880 0.00 0.00 +ATOM 1079 H GLU X 63 46.801 28.013 24.477 0.00 0.00 +ATOM 1080 CA GLU X 63 47.264 26.549 26.109 0.00 0.00 +ATOM 1081 HA GLU X 63 47.145 25.466 26.081 0.00 0.00 +ATOM 1082 CB GLU X 63 48.737 26.947 26.138 0.00 0.00 +ATOM 1083 HB2 GLU X 63 49.269 26.335 25.410 0.00 0.00 +ATOM 1084 HB3 GLU X 63 48.830 28.026 26.017 0.00 0.00 +ATOM 1085 CG GLU X 63 49.460 26.618 27.430 0.00 0.00 +ATOM 1086 HG2 GLU X 63 49.139 27.338 28.183 0.00 0.00 +ATOM 1087 HG3 GLU X 63 49.158 25.593 27.649 0.00 0.00 +ATOM 1088 CD GLU X 63 50.976 26.601 27.257 0.00 0.00 +ATOM 1089 OE1 GLU X 63 51.655 27.584 27.564 0.00 0.00 +ATOM 1090 OE2 GLU X 63 51.530 25.628 26.770 0.00 0.00 +ATOM 1091 C GLU X 63 46.602 26.946 27.430 0.00 0.00 +ATOM 1092 O GLU X 63 46.287 26.084 28.247 0.00 0.00 +ATOM 1093 N PHE X 64 46.221 28.186 27.605 0.00 0.00 +ATOM 1094 H PHE X 64 46.448 28.916 26.945 0.00 0.00 +ATOM 1095 CA PHE X 64 45.516 28.660 28.807 0.00 0.00 +ATOM 1096 HA PHE X 64 46.062 28.467 29.730 0.00 0.00 +ATOM 1097 CB PHE X 64 45.219 30.083 28.568 0.00 0.00 +ATOM 1098 HB2 PHE X 64 46.203 30.535 28.440 0.00 0.00 +ATOM 1099 HB3 PHE X 64 44.719 30.167 27.603 0.00 0.00 +ATOM 1100 CG PHE X 64 44.295 30.890 29.515 0.00 0.00 +ATOM 1101 CD1 PHE X 64 43.863 30.428 30.740 0.00 0.00 +ATOM 1102 HD1 PHE X 64 44.285 29.492 31.073 0.00 0.00 +ATOM 1103 CE1 PHE X 64 43.077 31.303 31.521 0.00 0.00 +ATOM 1104 HE1 PHE X 64 42.810 30.858 32.468 0.00 0.00 +ATOM 1105 CZ PHE X 64 42.951 32.637 31.260 0.00 0.00 +ATOM 1106 HZ PHE X 64 42.501 33.325 31.961 0.00 0.00 +ATOM 1107 CE2 PHE X 64 43.359 33.116 30.029 0.00 0.00 +ATOM 1108 HE2 PHE X 64 43.281 34.161 29.770 0.00 0.00 +ATOM 1109 CD2 PHE X 64 43.959 32.233 29.137 0.00 0.00 +ATOM 1110 HD2 PHE X 64 44.186 32.611 28.152 0.00 0.00 +ATOM 1111 C PHE X 64 44.238 27.847 28.930 0.00 0.00 +ATOM 1112 O PHE X 64 43.966 27.324 29.992 0.00 0.00 +ATOM 1113 N LYS X 65 43.451 27.789 27.880 0.00 0.00 +ATOM 1114 H LYS X 65 43.829 28.274 27.078 0.00 0.00 +ATOM 1115 CA LYS X 65 42.198 27.065 27.696 0.00 0.00 +ATOM 1116 HA LYS X 65 41.455 27.254 28.471 0.00 0.00 +ATOM 1117 CB LYS X 65 41.552 27.452 26.337 0.00 0.00 +ATOM 1118 HB2 LYS X 65 41.580 28.541 26.367 0.00 0.00 +ATOM 1119 HB3 LYS X 65 42.225 27.175 25.526 0.00 0.00 +ATOM 1120 CG LYS X 65 40.144 26.857 26.194 0.00 0.00 +ATOM 1121 HG2 LYS X 65 40.304 25.790 26.038 0.00 0.00 +ATOM 1122 HG3 LYS X 65 39.675 26.811 27.177 0.00 0.00 +ATOM 1123 CD LYS X 65 39.281 27.468 25.128 0.00 0.00 +ATOM 1124 HD2 LYS X 65 38.291 27.066 25.341 0.00 0.00 +ATOM 1125 HD3 LYS X 65 39.185 28.538 25.315 0.00 0.00 +ATOM 1126 CE LYS X 65 39.666 27.276 23.686 0.00 0.00 +ATOM 1127 HE2 LYS X 65 38.774 27.533 23.115 0.00 0.00 +ATOM 1128 HE3 LYS X 65 40.566 27.871 23.532 0.00 0.00 +ATOM 1129 NZ LYS X 65 40.051 25.841 23.446 0.00 0.00 +ATOM 1130 HZ1 LYS X 65 40.699 25.746 22.677 0.00 0.00 +ATOM 1131 HZ2 LYS X 65 40.582 25.552 24.255 0.00 0.00 +ATOM 1132 HZ3 LYS X 65 39.197 25.306 23.374 0.00 0.00 +ATOM 1133 C LYS X 65 42.435 25.509 27.790 0.00 0.00 +ATOM 1134 O LYS X 65 41.503 24.751 28.158 0.00 0.00 +ATOM 1135 N GLN X 66 43.632 25.012 27.510 0.00 0.00 +ATOM 1136 H GLN X 66 44.312 25.636 27.100 0.00 0.00 +ATOM 1137 CA GLN X 66 43.969 23.612 27.728 0.00 0.00 +ATOM 1138 HA GLN X 66 43.026 23.075 27.621 0.00 0.00 +ATOM 1139 CB GLN X 66 45.051 23.144 26.820 0.00 0.00 +ATOM 1140 HB2 GLN X 66 44.900 23.381 25.767 0.00 0.00 +ATOM 1141 HB3 GLN X 66 45.920 23.744 27.089 0.00 0.00 +ATOM 1142 CG GLN X 66 45.492 21.647 26.925 0.00 0.00 +ATOM 1143 HG2 GLN X 66 46.059 21.580 27.854 0.00 0.00 +ATOM 1144 HG3 GLN X 66 44.699 20.914 27.076 0.00 0.00 +ATOM 1145 CD GLN X 66 46.389 21.209 25.780 0.00 0.00 +ATOM 1146 OE1 GLN X 66 47.067 22.033 25.300 0.00 0.00 +ATOM 1147 NE2 GLN X 66 46.276 19.972 25.299 0.00 0.00 +ATOM 1148 HE21 GLN X 66 45.692 19.266 25.723 0.00 0.00 +ATOM 1149 HE22 GLN X 66 46.725 19.702 24.435 0.00 0.00 +ATOM 1150 C GLN X 66 44.241 23.376 29.242 0.00 0.00 +ATOM 1151 O GLN X 66 43.674 22.452 29.857 0.00 0.00 +ATOM 1152 N LEU X 67 44.955 24.307 29.889 0.00 0.00 +ATOM 1153 H LEU X 67 45.353 25.008 29.281 0.00 0.00 +ATOM 1154 CA LEU X 67 45.259 24.125 31.296 0.00 0.00 +ATOM 1155 HA LEU X 67 45.465 23.070 31.474 0.00 0.00 +ATOM 1156 CB LEU X 67 46.668 24.859 31.599 0.00 0.00 +ATOM 1157 HB2 LEU X 67 46.512 25.904 31.331 0.00 0.00 +ATOM 1158 HB3 LEU X 67 46.842 24.792 32.673 0.00 0.00 +ATOM 1159 CG LEU X 67 47.922 24.454 30.897 0.00 0.00 +ATOM 1160 HG LEU X 67 47.669 24.449 29.837 0.00 0.00 +ATOM 1161 CD1 LEU X 67 49.139 25.315 31.149 0.00 0.00 +ATOM 1162 HD11 LEU X 67 49.239 25.332 32.235 0.00 0.00 +ATOM 1163 HD12 LEU X 67 50.052 24.923 30.699 0.00 0.00 +ATOM 1164 HD13 LEU X 67 48.881 26.321 30.820 0.00 0.00 +ATOM 1165 CD2 LEU X 67 48.287 23.001 31.292 0.00 0.00 +ATOM 1166 HD21 LEU X 67 48.931 22.561 30.530 0.00 0.00 +ATOM 1167 HD22 LEU X 67 48.684 22.933 32.304 0.00 0.00 +ATOM 1168 HD23 LEU X 67 47.369 22.414 31.238 0.00 0.00 +ATOM 1169 C LEU X 67 44.140 24.486 32.277 0.00 0.00 +ATOM 1170 O LEU X 67 43.950 23.773 33.281 0.00 0.00 +ATOM 1171 N ALA X 68 43.288 25.426 31.907 0.00 0.00 +ATOM 1172 H ALA X 68 43.595 26.083 31.204 0.00 0.00 +ATOM 1173 CA ALA X 68 42.118 25.877 32.719 0.00 0.00 +ATOM 1174 HA ALA X 68 42.499 26.111 33.713 0.00 0.00 +ATOM 1175 CB ALA X 68 41.488 27.177 32.128 0.00 0.00 +ATOM 1176 HB1 ALA X 68 40.658 27.364 32.808 0.00 0.00 +ATOM 1177 HB2 ALA X 68 42.236 27.969 32.078 0.00 0.00 +ATOM 1178 HB3 ALA X 68 41.161 26.980 31.107 0.00 0.00 +ATOM 1179 C ALA X 68 41.012 24.733 32.812 0.00 0.00 +ATOM 1180 O ALA X 68 40.325 24.691 33.876 0.00 0.00 +ATOM 1181 N LEU X 69 40.973 23.841 31.792 0.00 0.00 +ATOM 1182 H LEU X 69 41.397 24.087 30.909 0.00 0.00 +ATOM 1183 CA LEU X 69 40.376 22.466 31.860 0.00 0.00 +ATOM 1184 HA LEU X 69 39.443 22.535 32.420 0.00 0.00 +ATOM 1185 CB LEU X 69 40.146 22.025 30.339 0.00 0.00 +ATOM 1186 HB2 LEU X 69 39.587 22.852 29.900 0.00 0.00 +ATOM 1187 HB3 LEU X 69 41.159 21.907 29.954 0.00 0.00 +ATOM 1188 CG LEU X 69 39.270 20.820 30.196 0.00 0.00 +ATOM 1189 HG LEU X 69 39.869 20.065 30.704 0.00 0.00 +ATOM 1190 CD1 LEU X 69 37.961 21.106 30.911 0.00 0.00 +ATOM 1191 HD11 LEU X 69 37.232 20.378 30.555 0.00 0.00 +ATOM 1192 HD12 LEU X 69 38.127 20.946 31.976 0.00 0.00 +ATOM 1193 HD13 LEU X 69 37.676 22.152 30.793 0.00 0.00 +ATOM 1194 CD2 LEU X 69 39.077 20.457 28.771 0.00 0.00 +ATOM 1195 HD21 LEU X 69 38.689 21.295 28.193 0.00 0.00 +ATOM 1196 HD22 LEU X 69 40.005 20.266 28.233 0.00 0.00 +ATOM 1197 HD23 LEU X 69 38.365 19.631 28.790 0.00 0.00 +ATOM 1198 C LEU X 69 41.176 21.338 32.659 0.00 0.00 +ATOM 1199 O LEU X 69 40.516 20.483 33.317 0.00 0.00 +ATOM 1200 N GLU X 70 42.506 21.306 32.641 0.00 0.00 +ATOM 1201 H GLU X 70 42.979 22.027 32.115 0.00 0.00 +ATOM 1202 CA GLU X 70 43.252 20.353 33.447 0.00 0.00 +ATOM 1203 HA GLU X 70 42.889 19.338 33.284 0.00 0.00 +ATOM 1204 CB GLU X 70 44.745 20.332 33.144 0.00 0.00 +ATOM 1205 HB2 GLU X 70 45.160 21.330 33.279 0.00 0.00 +ATOM 1206 HB3 GLU X 70 45.247 19.580 33.752 0.00 0.00 +ATOM 1207 CG GLU X 70 44.997 19.982 31.677 0.00 0.00 +ATOM 1208 HG2 GLU X 70 44.243 20.523 31.105 0.00 0.00 +ATOM 1209 HG3 GLU X 70 45.957 20.355 31.322 0.00 0.00 +ATOM 1210 CD GLU X 70 44.942 18.460 31.392 0.00 0.00 +ATOM 1211 OE1 GLU X 70 45.877 17.702 31.676 0.00 0.00 +ATOM 1212 OE2 GLU X 70 43.902 17.954 30.914 0.00 0.00 +ATOM 1213 C GLU X 70 43.078 20.687 34.982 0.00 0.00 +ATOM 1214 O GLU X 70 42.988 19.714 35.734 0.00 0.00 +ATOM 1215 N ASP X 71 42.960 21.931 35.322 0.00 0.00 +ATOM 1216 H ASP X 71 43.235 22.666 34.686 0.00 0.00 +ATOM 1217 CA ASP X 71 42.695 22.348 36.724 0.00 0.00 +ATOM 1218 HA ASP X 71 43.212 21.621 37.351 0.00 0.00 +ATOM 1219 CB ASP X 71 43.152 23.859 36.925 0.00 0.00 +ATOM 1220 HB2 ASP X 71 42.707 24.628 36.294 0.00 0.00 +ATOM 1221 HB3 ASP X 71 42.904 24.045 37.969 0.00 0.00 +ATOM 1222 CG ASP X 71 44.645 24.186 36.968 0.00 0.00 +ATOM 1223 OD1 ASP X 71 45.508 23.749 36.177 0.00 0.00 +ATOM 1224 OD2 ASP X 71 45.021 24.911 37.892 0.00 0.00 +ATOM 1225 C ASP X 71 41.180 22.011 37.075 0.00 0.00 +ATOM 1226 O ASP X 71 40.889 21.516 38.173 0.00 0.00 +ATOM 1227 N ALA X 72 40.272 22.238 36.184 0.00 0.00 +ATOM 1228 H ALA X 72 40.555 22.634 35.299 0.00 0.00 +ATOM 1229 CA ALA X 72 38.886 21.841 36.278 0.00 0.00 +ATOM 1230 HA ALA X 72 38.597 22.243 37.249 0.00 0.00 +ATOM 1231 CB ALA X 72 38.102 22.328 35.133 0.00 0.00 +ATOM 1232 HB1 ALA X 72 37.059 22.024 35.223 0.00 0.00 +ATOM 1233 HB2 ALA X 72 38.205 23.409 35.043 0.00 0.00 +ATOM 1234 HB3 ALA X 72 38.472 21.823 34.240 0.00 0.00 +ATOM 1235 C ALA X 72 38.695 20.336 36.317 0.00 0.00 +ATOM 1236 O ALA X 72 37.721 19.898 36.980 0.00 0.00 +ATOM 1237 N LYS X 73 39.618 19.543 35.762 0.00 0.00 +ATOM 1238 H LYS X 73 40.345 19.891 35.154 0.00 0.00 +ATOM 1239 CA LYS X 73 39.676 18.048 35.957 0.00 0.00 +ATOM 1240 HA LYS X 73 38.628 17.797 35.794 0.00 0.00 +ATOM 1241 CB LYS X 73 40.685 17.403 35.006 0.00 0.00 +ATOM 1242 HB2 LYS X 73 40.454 17.968 34.102 0.00 0.00 +ATOM 1243 HB3 LYS X 73 41.688 17.702 35.311 0.00 0.00 +ATOM 1244 CG LYS X 73 40.432 15.843 34.704 0.00 0.00 +ATOM 1245 HG2 LYS X 73 40.274 15.417 35.695 0.00 0.00 +ATOM 1246 HG3 LYS X 73 39.556 15.855 34.054 0.00 0.00 +ATOM 1247 CD LYS X 73 41.664 15.193 34.029 0.00 0.00 +ATOM 1248 HD2 LYS X 73 42.484 15.152 34.746 0.00 0.00 +ATOM 1249 HD3 LYS X 73 41.429 14.206 33.631 0.00 0.00 +ATOM 1250 CE LYS X 73 42.129 15.918 32.765 0.00 0.00 +ATOM 1251 HE2 LYS X 73 41.362 16.048 32.002 0.00 0.00 +ATOM 1252 HE3 LYS X 73 42.406 16.900 33.147 0.00 0.00 +ATOM 1253 NZ LYS X 73 43.406 15.293 32.260 0.00 0.00 +ATOM 1254 HZ1 LYS X 73 44.083 15.263 33.009 0.00 0.00 +ATOM 1255 HZ2 LYS X 73 43.240 14.331 32.001 0.00 0.00 +ATOM 1256 HZ3 LYS X 73 43.751 15.860 31.499 0.00 0.00 +ATOM 1257 C LYS X 73 39.999 17.546 37.320 0.00 0.00 +ATOM 1258 O LYS X 73 39.461 16.468 37.643 0.00 0.00 +ATOM 1259 N GLU X 74 40.780 18.351 37.992 0.00 0.00 +ATOM 1260 H GLU X 74 41.228 19.149 37.563 0.00 0.00 +ATOM 1261 CA GLU X 74 40.998 18.173 39.369 0.00 0.00 +ATOM 1262 HA GLU X 74 40.922 17.128 39.672 0.00 0.00 +ATOM 1263 CB GLU X 74 42.344 18.578 39.899 0.00 0.00 +ATOM 1264 HB2 GLU X 74 42.495 19.625 39.634 0.00 0.00 +ATOM 1265 HB3 GLU X 74 42.523 18.412 40.961 0.00 0.00 +ATOM 1266 CG GLU X 74 43.615 17.904 39.294 0.00 0.00 +ATOM 1267 HG2 GLU X 74 43.792 18.411 38.345 0.00 0.00 +ATOM 1268 HG3 GLU X 74 44.522 18.019 39.888 0.00 0.00 +ATOM 1269 CD GLU X 74 43.449 16.432 38.936 0.00 0.00 +ATOM 1270 OE1 GLU X 74 44.036 16.001 37.925 0.00 0.00 +ATOM 1271 OE2 GLU X 74 42.886 15.581 39.701 0.00 0.00 +ATOM 1272 C GLU X 74 39.870 18.861 40.338 0.00 0.00 +ATOM 1273 O GLU X 74 40.036 18.797 41.564 0.00 0.00 +ATOM 1274 N GLY X 75 38.919 19.438 39.676 0.00 0.00 +ATOM 1275 H GLY X 75 38.866 19.473 38.668 0.00 0.00 +ATOM 1276 CA GLY X 75 37.790 20.138 40.210 0.00 0.00 +ATOM 1277 HA2 GLY X 75 37.080 20.330 39.406 0.00 0.00 +ATOM 1278 HA3 GLY X 75 37.343 19.417 40.895 0.00 0.00 +ATOM 1279 C GLY X 75 38.024 21.473 40.856 0.00 0.00 +ATOM 1280 O GLY X 75 37.218 22.060 41.576 0.00 0.00 +ATOM 1281 N TYR X 76 39.095 22.246 40.474 0.00 0.00 +ATOM 1282 H TYR X 76 39.751 21.800 39.849 0.00 0.00 +ATOM 1283 CA TYR X 76 39.290 23.708 40.754 0.00 0.00 +ATOM 1284 HA TYR X 76 38.877 23.894 41.745 0.00 0.00 +ATOM 1285 CB TYR X 76 40.810 24.006 40.811 0.00 0.00 +ATOM 1286 HB2 TYR X 76 41.217 23.702 39.846 0.00 0.00 +ATOM 1287 HB3 TYR X 76 40.931 25.080 40.954 0.00 0.00 +ATOM 1288 CG TYR X 76 41.540 23.201 41.888 0.00 0.00 +ATOM 1289 CD1 TYR X 76 41.532 23.740 43.220 0.00 0.00 +ATOM 1290 HD1 TYR X 76 41.179 24.751 43.362 0.00 0.00 +ATOM 1291 CE1 TYR X 76 42.016 22.932 44.255 0.00 0.00 +ATOM 1292 HE1 TYR X 76 42.178 23.400 45.215 0.00 0.00 +ATOM 1293 CZ TYR X 76 42.508 21.654 44.016 0.00 0.00 +ATOM 1294 OH TYR X 76 43.089 21.017 45.047 0.00 0.00 +ATOM 1295 HH TYR X 76 42.975 20.067 45.130 0.00 0.00 +ATOM 1296 CE2 TYR X 76 42.410 21.043 42.732 0.00 0.00 +ATOM 1297 HE2 TYR X 76 42.667 19.994 42.728 0.00 0.00 +ATOM 1298 CD2 TYR X 76 41.929 21.826 41.647 0.00 0.00 +ATOM 1299 HD2 TYR X 76 41.861 21.361 40.674 0.00 0.00 +ATOM 1300 C TYR X 76 38.611 24.590 39.695 0.00 0.00 +ATOM 1301 O TYR X 76 38.040 24.011 38.715 0.00 0.00 +ATOM 1302 N ARG X 77 38.577 25.922 39.953 0.00 0.00 +ATOM 1303 H ARG X 77 39.069 26.180 40.796 0.00 0.00 +ATOM 1304 CA ARG X 77 37.879 26.945 39.187 0.00 0.00 +ATOM 1305 HA ARG X 77 37.631 26.522 38.214 0.00 0.00 +ATOM 1306 CB ARG X 77 36.571 27.256 39.921 0.00 0.00 +ATOM 1307 HB2 ARG X 77 36.869 27.422 40.956 0.00 0.00 +ATOM 1308 HB3 ARG X 77 36.119 28.164 39.523 0.00 0.00 +ATOM 1309 CG ARG X 77 35.483 26.106 39.864 0.00 0.00 +ATOM 1310 HG2 ARG X 77 35.943 25.326 40.470 0.00 0.00 +ATOM 1311 HG3 ARG X 77 34.632 26.342 40.503 0.00 0.00 +ATOM 1312 CD ARG X 77 35.018 25.597 38.457 0.00 0.00 +ATOM 1313 HD2 ARG X 77 35.835 25.051 37.984 0.00 0.00 +ATOM 1314 HD3 ARG X 77 34.155 24.954 38.630 0.00 0.00 +ATOM 1315 NE ARG X 77 34.513 26.739 37.690 0.00 0.00 +ATOM 1316 HE ARG X 77 34.742 27.672 38.001 0.00 0.00 +ATOM 1317 CZ ARG X 77 33.667 26.707 36.691 0.00 0.00 +ATOM 1318 NH1 ARG X 77 33.319 25.589 36.155 0.00 0.00 +ATOM 1319 HH11 ARG X 77 34.005 24.859 36.284 0.00 0.00 +ATOM 1320 HH12 ARG X 77 32.579 25.741 35.485 0.00 0.00 +ATOM 1321 NH2 ARG X 77 33.269 27.801 36.177 0.00 0.00 +ATOM 1322 HH21 ARG X 77 33.544 28.698 36.552 0.00 0.00 +ATOM 1323 HH22 ARG X 77 32.563 27.861 35.458 0.00 0.00 +ATOM 1324 C ARG X 77 38.605 28.233 38.892 0.00 0.00 +ATOM 1325 O ARG X 77 38.026 28.954 38.107 0.00 0.00 +ATOM 1326 N TYR X 78 39.712 28.557 39.590 0.00 0.00 +ATOM 1327 H TYR X 78 40.058 27.958 40.326 0.00 0.00 +ATOM 1328 CA TYR X 78 40.385 29.867 39.415 0.00 0.00 +ATOM 1329 HA TYR X 78 39.594 30.593 39.605 0.00 0.00 +ATOM 1330 CB TYR X 78 41.463 30.042 40.462 0.00 0.00 +ATOM 1331 HB2 TYR X 78 41.065 29.855 41.459 0.00 0.00 +ATOM 1332 HB3 TYR X 78 42.026 29.144 40.207 0.00 0.00 +ATOM 1333 CG TYR X 78 42.322 31.327 40.471 0.00 0.00 +ATOM 1334 CD1 TYR X 78 41.780 32.455 41.192 0.00 0.00 +ATOM 1335 HD1 TYR X 78 40.929 32.334 41.846 0.00 0.00 +ATOM 1336 CE1 TYR X 78 42.392 33.736 41.001 0.00 0.00 +ATOM 1337 HE1 TYR X 78 41.941 34.659 41.334 0.00 0.00 +ATOM 1338 CZ TYR X 78 43.537 33.896 40.241 0.00 0.00 +ATOM 1339 OH TYR X 78 44.157 35.078 40.089 0.00 0.00 +ATOM 1340 HH TYR X 78 43.712 35.755 40.604 0.00 0.00 +ATOM 1341 CE2 TYR X 78 44.007 32.769 39.454 0.00 0.00 +ATOM 1342 HE2 TYR X 78 44.875 32.823 38.814 0.00 0.00 +ATOM 1343 CD2 TYR X 78 43.486 31.469 39.666 0.00 0.00 +ATOM 1344 HD2 TYR X 78 43.848 30.574 39.182 0.00 0.00 +ATOM 1345 C TYR X 78 40.843 30.002 37.930 0.00 0.00 +ATOM 1346 O TYR X 78 40.635 31.062 37.322 0.00 0.00 +ATOM 1347 N GLY X 79 41.355 28.906 37.320 0.00 0.00 +ATOM 1348 H GLY X 79 41.552 28.083 37.872 0.00 0.00 +ATOM 1349 CA GLY X 79 41.813 28.945 35.881 0.00 0.00 +ATOM 1350 HA2 GLY X 79 42.677 29.607 35.818 0.00 0.00 +ATOM 1351 HA3 GLY X 79 42.297 28.006 35.613 0.00 0.00 +ATOM 1352 C GLY X 79 40.651 29.242 34.957 0.00 0.00 +ATOM 1353 O GLY X 79 40.764 30.204 34.220 0.00 0.00 +ATOM 1354 N LEU X 80 39.482 28.573 35.124 0.00 0.00 +ATOM 1355 H LEU X 80 39.456 27.736 35.689 0.00 0.00 +ATOM 1356 CA LEU X 80 38.245 28.891 34.372 0.00 0.00 +ATOM 1357 HA LEU X 80 38.430 28.953 33.299 0.00 0.00 +ATOM 1358 CB LEU X 80 37.285 27.691 34.723 0.00 0.00 +ATOM 1359 HB2 LEU X 80 37.507 27.361 35.738 0.00 0.00 +ATOM 1360 HB3 LEU X 80 36.249 28.023 34.773 0.00 0.00 +ATOM 1361 CG LEU X 80 37.316 26.561 33.687 0.00 0.00 +ATOM 1362 HG LEU X 80 38.323 26.169 33.827 0.00 0.00 +ATOM 1363 CD1 LEU X 80 36.257 25.501 34.200 0.00 0.00 +ATOM 1364 HD11 LEU X 80 36.401 24.683 33.493 0.00 0.00 +ATOM 1365 HD12 LEU X 80 36.502 25.149 35.202 0.00 0.00 +ATOM 1366 HD13 LEU X 80 35.250 25.906 34.103 0.00 0.00 +ATOM 1367 CD2 LEU X 80 37.105 26.925 32.207 0.00 0.00 +ATOM 1368 HD21 LEU X 80 36.973 26.087 31.522 0.00 0.00 +ATOM 1369 HD22 LEU X 80 36.251 27.565 31.982 0.00 0.00 +ATOM 1370 HD23 LEU X 80 37.964 27.403 31.736 0.00 0.00 +ATOM 1371 C LEU X 80 37.726 30.354 34.646 0.00 0.00 +ATOM 1372 O LEU X 80 37.445 31.131 33.769 0.00 0.00 +ATOM 1373 N GLU X 81 37.787 30.793 35.886 0.00 0.00 +ATOM 1374 H GLU X 81 38.057 30.132 36.600 0.00 0.00 +ATOM 1375 CA GLU X 81 37.364 32.131 36.344 0.00 0.00 +ATOM 1376 HA GLU X 81 36.358 32.315 35.965 0.00 0.00 +ATOM 1377 CB GLU X 81 37.267 32.242 37.878 0.00 0.00 +ATOM 1378 HB2 GLU X 81 36.496 31.567 38.251 0.00 0.00 +ATOM 1379 HB3 GLU X 81 38.244 32.055 38.324 0.00 0.00 +ATOM 1380 CG GLU X 81 36.820 33.677 38.257 0.00 0.00 +ATOM 1381 HG2 GLU X 81 37.581 34.396 37.956 0.00 0.00 +ATOM 1382 HG3 GLU X 81 35.855 33.901 37.802 0.00 0.00 +ATOM 1383 CD GLU X 81 36.543 33.773 39.793 0.00 0.00 +ATOM 1384 OE1 GLU X 81 36.160 32.797 40.454 0.00 0.00 +ATOM 1385 OE2 GLU X 81 36.687 34.859 40.352 0.00 0.00 +ATOM 1386 C GLU X 81 38.218 33.293 35.687 0.00 0.00 +ATOM 1387 O GLU X 81 37.710 34.345 35.441 0.00 0.00 +ATOM 1388 N CYS X 82 39.542 33.040 35.508 0.00 0.00 +ATOM 1389 H CYS X 82 39.767 32.065 35.640 0.00 0.00 +ATOM 1390 CA CYS X 82 40.407 33.913 34.757 0.00 0.00 +ATOM 1391 HA CYS X 82 40.287 34.977 34.961 0.00 0.00 +ATOM 1392 CB CYS X 82 41.804 33.482 34.842 0.00 0.00 +ATOM 1393 HB2 CYS X 82 41.800 32.437 34.533 0.00 0.00 +ATOM 1394 HB3 CYS X 82 42.518 34.028 34.225 0.00 0.00 +ATOM 1395 SG CYS X 82 42.261 33.539 36.604 0.00 0.00 +ATOM 1396 HG CYS X 82 41.145 32.875 36.918 0.00 0.00 +ATOM 1397 C CYS X 82 40.132 33.951 33.216 0.00 0.00 +ATOM 1398 O CYS X 82 40.463 34.936 32.594 0.00 0.00 +ATOM 1399 N LEU X 83 39.534 32.895 32.696 0.00 0.00 +ATOM 1400 H LEU X 83 39.254 32.155 33.324 0.00 0.00 +ATOM 1401 CA LEU X 83 39.225 32.742 31.312 0.00 0.00 +ATOM 1402 HA LEU X 83 39.935 33.306 30.707 0.00 0.00 +ATOM 1403 CB LEU X 83 39.246 31.210 30.949 0.00 0.00 +ATOM 1404 HB2 LEU X 83 40.152 30.670 31.225 0.00 0.00 +ATOM 1405 HB3 LEU X 83 38.347 30.736 31.343 0.00 0.00 +ATOM 1406 CG LEU X 83 39.198 30.945 29.376 0.00 0.00 +ATOM 1407 HG LEU X 83 38.344 31.458 28.934 0.00 0.00 +ATOM 1408 CD1 LEU X 83 40.544 31.384 28.765 0.00 0.00 +ATOM 1409 HD11 LEU X 83 40.476 31.123 27.709 0.00 0.00 +ATOM 1410 HD12 LEU X 83 40.572 32.464 28.909 0.00 0.00 +ATOM 1411 HD13 LEU X 83 41.412 30.904 29.218 0.00 0.00 +ATOM 1412 CD2 LEU X 83 39.024 29.421 29.018 0.00 0.00 +ATOM 1413 HD21 LEU X 83 38.903 29.174 27.963 0.00 0.00 +ATOM 1414 HD22 LEU X 83 39.841 28.858 29.469 0.00 0.00 +ATOM 1415 HD23 LEU X 83 38.098 29.088 29.488 0.00 0.00 +ATOM 1416 C LEU X 83 37.914 33.383 30.902 0.00 0.00 +ATOM 1417 O LEU X 83 37.935 34.200 29.974 0.00 0.00 +ATOM 1418 N PHE X 84 36.823 33.212 31.649 0.00 0.00 +ATOM 1419 H PHE X 84 36.855 32.448 32.309 0.00 0.00 +ATOM 1420 CA PHE X 84 35.537 33.981 31.599 0.00 0.00 +ATOM 1421 HA PHE X 84 35.195 34.047 30.566 0.00 0.00 +ATOM 1422 CB PHE X 84 34.468 33.390 32.542 0.00 0.00 +ATOM 1423 HB2 PHE X 84 34.748 33.404 33.595 0.00 0.00 +ATOM 1424 HB3 PHE X 84 33.607 34.041 32.396 0.00 0.00 +ATOM 1425 CG PHE X 84 34.014 31.974 32.309 0.00 0.00 +ATOM 1426 CD1 PHE X 84 33.684 31.590 31.035 0.00 0.00 +ATOM 1427 HD1 PHE X 84 33.873 32.198 30.163 0.00 0.00 +ATOM 1428 CE1 PHE X 84 33.218 30.231 30.831 0.00 0.00 +ATOM 1429 HE1 PHE X 84 32.800 29.891 29.895 0.00 0.00 +ATOM 1430 CZ PHE X 84 33.306 29.292 31.862 0.00 0.00 +ATOM 1431 HZ PHE X 84 33.047 28.251 31.740 0.00 0.00 +ATOM 1432 CE2 PHE X 84 33.671 29.712 33.114 0.00 0.00 +ATOM 1433 HE2 PHE X 84 33.610 29.072 33.981 0.00 0.00 +ATOM 1434 CD2 PHE X 84 33.997 30.991 33.345 0.00 0.00 +ATOM 1435 HD2 PHE X 84 34.354 31.224 34.337 0.00 0.00 +ATOM 1436 C PHE X 84 35.764 35.461 31.993 0.00 0.00 +ATOM 1437 O PHE X 84 35.099 36.304 31.408 0.00 0.00 +ATOM 1438 N ARG X 85 36.574 35.868 32.927 0.00 0.00 +ATOM 1439 H ARG X 85 37.113 35.195 33.452 0.00 0.00 +ATOM 1440 CA ARG X 85 36.951 37.261 33.222 0.00 0.00 +ATOM 1441 HA ARG X 85 36.021 37.828 33.198 0.00 0.00 +ATOM 1442 CB ARG X 85 37.813 37.339 34.564 0.00 0.00 +ATOM 1443 HB2 ARG X 85 38.504 36.497 34.591 0.00 0.00 +ATOM 1444 HB3 ARG X 85 38.301 38.314 34.526 0.00 0.00 +ATOM 1445 CG ARG X 85 36.859 37.426 35.787 0.00 0.00 +ATOM 1446 HG2 ARG X 85 36.229 38.316 35.778 0.00 0.00 +ATOM 1447 HG3 ARG X 85 36.213 36.548 35.825 0.00 0.00 +ATOM 1448 CD ARG X 85 37.807 37.422 37.057 0.00 0.00 +ATOM 1449 HD2 ARG X 85 38.528 36.640 36.818 0.00 0.00 +ATOM 1450 HD3 ARG X 85 38.164 38.449 37.134 0.00 0.00 +ATOM 1451 NE ARG X 85 36.965 37.094 38.197 0.00 0.00 +ATOM 1452 HE ARG X 85 36.826 36.122 38.431 0.00 0.00 +ATOM 1453 CZ ARG X 85 36.198 37.935 38.839 0.00 0.00 +ATOM 1454 NH1 ARG X 85 36.117 39.230 38.577 0.00 0.00 +ATOM 1455 HH11 ARG X 85 36.710 39.682 37.896 0.00 0.00 +ATOM 1456 HH12 ARG X 85 35.455 39.735 39.148 0.00 0.00 +ATOM 1457 NH2 ARG X 85 35.505 37.551 39.826 0.00 0.00 +ATOM 1458 HH21 ARG X 85 35.660 36.576 40.039 0.00 0.00 +ATOM 1459 HH22 ARG X 85 35.137 38.263 40.440 0.00 0.00 +ATOM 1460 C ARG X 85 37.728 37.827 32.045 0.00 0.00 +ATOM 1461 O ARG X 85 37.452 38.991 31.750 0.00 0.00 +ATOM 1462 N TYR X 86 38.640 37.133 31.406 0.00 0.00 +ATOM 1463 H TYR X 86 38.845 36.205 31.749 0.00 0.00 +ATOM 1464 CA TYR X 86 39.180 37.591 30.094 0.00 0.00 +ATOM 1465 HA TYR X 86 39.685 38.550 30.209 0.00 0.00 +ATOM 1466 CB TYR X 86 40.188 36.507 29.612 0.00 0.00 +ATOM 1467 HB2 TYR X 86 41.060 36.723 30.229 0.00 0.00 +ATOM 1468 HB3 TYR X 86 39.919 35.467 29.798 0.00 0.00 +ATOM 1469 CG TYR X 86 40.552 36.518 28.185 0.00 0.00 +ATOM 1470 CD1 TYR X 86 41.023 37.680 27.609 0.00 0.00 +ATOM 1471 HD1 TYR X 86 41.095 38.577 28.206 0.00 0.00 +ATOM 1472 CE1 TYR X 86 41.314 37.775 26.264 0.00 0.00 +ATOM 1473 HE1 TYR X 86 41.651 38.669 25.762 0.00 0.00 +ATOM 1474 CZ TYR X 86 40.991 36.659 25.466 0.00 0.00 +ATOM 1475 OH TYR X 86 41.200 36.685 24.100 0.00 0.00 +ATOM 1476 HH TYR X 86 41.396 37.572 23.788 0.00 0.00 +ATOM 1477 CE2 TYR X 86 40.546 35.426 26.020 0.00 0.00 +ATOM 1478 HE2 TYR X 86 40.316 34.586 25.382 0.00 0.00 +ATOM 1479 CD2 TYR X 86 40.301 35.361 27.431 0.00 0.00 +ATOM 1480 HD2 TYR X 86 39.847 34.462 27.821 0.00 0.00 +ATOM 1481 C TYR X 86 38.147 37.891 29.050 0.00 0.00 +ATOM 1482 O TYR X 86 38.088 39.033 28.560 0.00 0.00 +ATOM 1483 N TYR X 87 37.264 36.956 28.617 0.00 0.00 +ATOM 1484 H TYR X 87 37.430 35.980 28.813 0.00 0.00 +ATOM 1485 CA TYR X 87 36.152 37.229 27.750 0.00 0.00 +ATOM 1486 HA TYR X 87 36.524 37.363 26.734 0.00 0.00 +ATOM 1487 CB TYR X 87 35.170 36.085 27.567 0.00 0.00 +ATOM 1488 HB2 TYR X 87 34.736 35.849 28.539 0.00 0.00 +ATOM 1489 HB3 TYR X 87 34.397 36.337 26.842 0.00 0.00 +ATOM 1490 CG TYR X 87 35.865 34.775 27.198 0.00 0.00 +ATOM 1491 CD1 TYR X 87 36.860 34.786 26.170 0.00 0.00 +ATOM 1492 HD1 TYR X 87 37.252 35.758 25.908 0.00 0.00 +ATOM 1493 CE1 TYR X 87 37.507 33.587 25.747 0.00 0.00 +ATOM 1494 HE1 TYR X 87 38.262 33.660 24.979 0.00 0.00 +ATOM 1495 CZ TYR X 87 37.099 32.362 26.284 0.00 0.00 +ATOM 1496 OH TYR X 87 37.503 31.119 25.872 0.00 0.00 +ATOM 1497 HH TYR X 87 37.869 31.146 24.985 0.00 0.00 +ATOM 1498 CE2 TYR X 87 36.102 32.357 27.307 0.00 0.00 +ATOM 1499 HE2 TYR X 87 35.792 31.433 27.772 0.00 0.00 +ATOM 1500 CD2 TYR X 87 35.541 33.555 27.782 0.00 0.00 +ATOM 1501 HD2 TYR X 87 34.820 33.485 28.583 0.00 0.00 +ATOM 1502 C TYR X 87 35.353 38.459 28.088 0.00 0.00 +ATOM 1503 O TYR X 87 35.234 39.340 27.244 0.00 0.00 +ATOM 1504 N SER X 88 35.011 38.495 29.390 0.00 0.00 +ATOM 1505 H SER X 88 35.152 37.729 30.034 0.00 0.00 +ATOM 1506 CA SER X 88 34.129 39.628 29.945 0.00 0.00 +ATOM 1507 HA SER X 88 33.193 39.557 29.391 0.00 0.00 +ATOM 1508 CB SER X 88 33.868 39.310 31.412 0.00 0.00 +ATOM 1509 HB2 SER X 88 33.393 38.330 31.449 0.00 0.00 +ATOM 1510 HB3 SER X 88 34.804 39.174 31.954 0.00 0.00 +ATOM 1511 OG SER X 88 33.106 40.339 32.028 0.00 0.00 +ATOM 1512 HG SER X 88 32.171 40.253 31.832 0.00 0.00 +ATOM 1513 C SER X 88 34.603 40.989 29.621 0.00 0.00 +ATOM 1514 O SER X 88 33.834 41.749 29.070 0.00 0.00 +ATOM 1515 N TYR X 89 35.885 41.336 29.914 0.00 0.00 +ATOM 1516 H TYR X 89 36.518 40.557 30.026 0.00 0.00 +ATOM 1517 CA TYR X 89 36.416 42.696 29.622 0.00 0.00 +ATOM 1518 HA TYR X 89 35.620 43.435 29.717 0.00 0.00 +ATOM 1519 CB TYR X 89 37.401 42.949 30.826 0.00 0.00 +ATOM 1520 HB2 TYR X 89 38.054 42.081 30.911 0.00 0.00 +ATOM 1521 HB3 TYR X 89 37.899 43.895 30.615 0.00 0.00 +ATOM 1522 CG TYR X 89 36.728 43.060 32.192 0.00 0.00 +ATOM 1523 CD1 TYR X 89 36.015 44.200 32.449 0.00 0.00 +ATOM 1524 HD1 TYR X 89 35.959 44.897 31.626 0.00 0.00 +ATOM 1525 CE1 TYR X 89 35.359 44.425 33.674 0.00 0.00 +ATOM 1526 HE1 TYR X 89 34.899 45.376 33.900 0.00 0.00 +ATOM 1527 CZ TYR X 89 35.466 43.423 34.668 0.00 0.00 +ATOM 1528 OH TYR X 89 34.931 43.690 35.912 0.00 0.00 +ATOM 1529 HH TYR X 89 34.161 44.223 35.703 0.00 0.00 +ATOM 1530 CE2 TYR X 89 36.170 42.256 34.489 0.00 0.00 +ATOM 1531 HE2 TYR X 89 36.245 41.515 35.271 0.00 0.00 +ATOM 1532 CD2 TYR X 89 36.914 42.118 33.247 0.00 0.00 +ATOM 1533 HD2 TYR X 89 37.431 41.223 32.937 0.00 0.00 +ATOM 1534 C TYR X 89 37.060 42.775 28.218 0.00 0.00 +ATOM 1535 O TYR X 89 37.037 43.837 27.573 0.00 0.00 +ATOM 1536 N GLY X 90 37.568 41.648 27.691 0.00 0.00 +ATOM 1537 H GLY X 90 37.377 40.800 28.206 0.00 0.00 +ATOM 1538 CA GLY X 90 38.190 41.589 26.340 0.00 0.00 +ATOM 1539 HA2 GLY X 90 38.898 42.418 26.365 0.00 0.00 +ATOM 1540 HA3 GLY X 90 38.603 40.580 26.339 0.00 0.00 +ATOM 1541 C GLY X 90 37.254 41.823 25.159 0.00 0.00 +ATOM 1542 O GLY X 90 37.427 42.685 24.329 0.00 0.00 +ATOM 1543 N LEU X 91 36.074 41.106 25.143 0.00 0.00 +ATOM 1544 H LEU X 91 35.886 40.359 25.795 0.00 0.00 +ATOM 1545 CA LEU X 91 35.156 41.217 24.005 0.00 0.00 +ATOM 1546 HA LEU X 91 35.725 41.236 23.076 0.00 0.00 +ATOM 1547 CB LEU X 91 34.139 40.052 24.078 0.00 0.00 +ATOM 1548 HB2 LEU X 91 33.819 40.026 25.119 0.00 0.00 +ATOM 1549 HB3 LEU X 91 33.311 40.205 23.386 0.00 0.00 +ATOM 1550 CG LEU X 91 34.628 38.599 23.916 0.00 0.00 +ATOM 1551 HG LEU X 91 35.437 38.459 24.633 0.00 0.00 +ATOM 1552 CD1 LEU X 91 33.574 37.606 24.264 0.00 0.00 +ATOM 1553 HD11 LEU X 91 33.234 37.992 25.225 0.00 0.00 +ATOM 1554 HD12 LEU X 91 32.715 37.783 23.617 0.00 0.00 +ATOM 1555 HD13 LEU X 91 33.906 36.568 24.232 0.00 0.00 +ATOM 1556 CD2 LEU X 91 35.055 38.308 22.490 0.00 0.00 +ATOM 1557 HD21 LEU X 91 35.846 38.951 22.105 0.00 0.00 +ATOM 1558 HD22 LEU X 91 35.408 37.277 22.515 0.00 0.00 +ATOM 1559 HD23 LEU X 91 34.171 38.304 21.852 0.00 0.00 +ATOM 1560 C LEU X 91 34.381 42.584 24.085 0.00 0.00 +ATOM 1561 O LEU X 91 33.723 42.986 23.137 0.00 0.00 +ATOM 1562 N GLU X 92 34.510 43.228 25.244 0.00 0.00 +ATOM 1563 H GLU X 92 34.793 42.686 26.048 0.00 0.00 +ATOM 1564 CA GLU X 92 33.843 44.501 25.533 0.00 0.00 +ATOM 1565 HA GLU X 92 32.947 44.762 24.969 0.00 0.00 +ATOM 1566 CB GLU X 92 33.498 44.361 27.009 0.00 0.00 +ATOM 1567 HB2 GLU X 92 32.993 43.410 27.178 0.00 0.00 +ATOM 1568 HB3 GLU X 92 34.401 44.202 27.600 0.00 0.00 +ATOM 1569 CG GLU X 92 32.802 45.663 27.597 0.00 0.00 +ATOM 1570 HG2 GLU X 92 32.944 45.620 28.677 0.00 0.00 +ATOM 1571 HG3 GLU X 92 33.281 46.584 27.265 0.00 0.00 +ATOM 1572 CD GLU X 92 31.326 45.567 27.372 0.00 0.00 +ATOM 1573 OE1 GLU X 92 30.722 44.592 27.907 0.00 0.00 +ATOM 1574 OE2 GLU X 92 30.753 46.146 26.423 0.00 0.00 +ATOM 1575 C GLU X 92 34.832 45.611 25.129 0.00 0.00 +ATOM 1576 O GLU X 92 34.385 46.707 24.793 0.00 0.00 +ATOM 1577 N LYS X 93 36.148 45.424 25.193 0.00 0.00 +ATOM 1578 H LYS X 93 36.469 44.537 25.552 0.00 0.00 +ATOM 1579 CA LYS X 93 37.149 46.325 24.701 0.00 0.00 +ATOM 1580 HA LYS X 93 36.998 47.344 25.056 0.00 0.00 +ATOM 1581 CB LYS X 93 38.556 45.739 25.164 0.00 0.00 +ATOM 1582 HB2 LYS X 93 38.320 44.874 25.784 0.00 0.00 +ATOM 1583 HB3 LYS X 93 39.240 45.358 24.405 0.00 0.00 +ATOM 1584 CG LYS X 93 39.336 46.810 25.937 0.00 0.00 +ATOM 1585 HG2 LYS X 93 39.418 47.658 25.258 0.00 0.00 +ATOM 1586 HG3 LYS X 93 38.722 47.199 26.750 0.00 0.00 +ATOM 1587 CD LYS X 93 40.671 46.258 26.404 0.00 0.00 +ATOM 1588 HD2 LYS X 93 40.273 45.594 27.171 0.00 0.00 +ATOM 1589 HD3 LYS X 93 41.128 45.547 25.717 0.00 0.00 +ATOM 1590 CE LYS X 93 41.581 47.394 26.947 0.00 0.00 +ATOM 1591 HE2 LYS X 93 41.894 47.939 26.057 0.00 0.00 +ATOM 1592 HE3 LYS X 93 40.944 47.938 27.645 0.00 0.00 +ATOM 1593 NZ LYS X 93 42.738 46.908 27.653 0.00 0.00 +ATOM 1594 HZ1 LYS X 93 43.336 47.645 28.001 0.00 0.00 +ATOM 1595 HZ2 LYS X 93 42.432 46.334 28.426 0.00 0.00 +ATOM 1596 HZ3 LYS X 93 43.285 46.305 27.055 0.00 0.00 +ATOM 1597 C LYS X 93 37.060 46.373 23.177 0.00 0.00 +ATOM 1598 O LYS X 93 37.205 47.408 22.569 0.00 0.00 +ATOM 1599 N LYS X 94 36.790 45.177 22.585 0.00 0.00 +ATOM 1600 H LYS X 94 36.949 44.388 23.195 0.00 0.00 +ATOM 1601 CA LYS X 94 36.717 44.982 21.129 0.00 0.00 +ATOM 1602 HA LYS X 94 36.012 45.681 20.680 0.00 0.00 +ATOM 1603 CB LYS X 94 38.115 45.153 20.468 0.00 0.00 +ATOM 1604 HB2 LYS X 94 38.561 46.102 20.767 0.00 0.00 +ATOM 1605 HB3 LYS X 94 38.783 44.388 20.865 0.00 0.00 +ATOM 1606 CG LYS X 94 38.197 45.055 18.934 0.00 0.00 +ATOM 1607 HG2 LYS X 94 39.235 45.318 18.734 0.00 0.00 +ATOM 1608 HG3 LYS X 94 37.967 44.015 18.700 0.00 0.00 +ATOM 1609 CD LYS X 94 37.265 46.008 18.188 0.00 0.00 +ATOM 1610 HD2 LYS X 94 37.551 45.936 17.139 0.00 0.00 +ATOM 1611 HD3 LYS X 94 36.260 45.592 18.248 0.00 0.00 +ATOM 1612 CE LYS X 94 37.245 47.431 18.615 0.00 0.00 +ATOM 1613 HE2 LYS X 94 37.262 47.527 19.700 0.00 0.00 +ATOM 1614 HE3 LYS X 94 38.161 47.781 18.138 0.00 0.00 +ATOM 1615 NZ LYS X 94 36.004 48.109 18.069 0.00 0.00 +ATOM 1616 HZ1 LYS X 94 35.135 47.789 18.473 0.00 0.00 +ATOM 1617 HZ2 LYS X 94 36.160 49.080 18.295 0.00 0.00 +ATOM 1618 HZ3 LYS X 94 35.930 47.925 17.078 0.00 0.00 +ATOM 1619 C LYS X 94 36.173 43.587 20.788 0.00 0.00 +ATOM 1620 O LYS X 94 36.818 42.589 21.102 0.00 0.00 +ATOM 1621 N PHE X 95 35.073 43.451 20.059 0.00 0.00 +ATOM 1622 H PHE X 95 34.602 44.344 20.053 0.00 0.00 +ATOM 1623 CA PHE X 95 34.338 42.277 19.797 0.00 0.00 +ATOM 1624 HA PHE X 95 34.346 41.865 20.806 0.00 0.00 +ATOM 1625 CB PHE X 95 32.943 42.673 19.290 0.00 0.00 +ATOM 1626 HB2 PHE X 95 32.464 43.315 20.030 0.00 0.00 +ATOM 1627 HB3 PHE X 95 32.860 43.342 18.434 0.00 0.00 +ATOM 1628 CG PHE X 95 32.040 41.482 19.057 0.00 0.00 +ATOM 1629 CD1 PHE X 95 31.487 40.780 20.103 0.00 0.00 +ATOM 1630 HD1 PHE X 95 31.684 41.155 21.096 0.00 0.00 +ATOM 1631 CE1 PHE X 95 30.683 39.651 19.939 0.00 0.00 +ATOM 1632 HE1 PHE X 95 30.216 39.188 20.796 0.00 0.00 +ATOM 1633 CZ PHE X 95 30.576 39.180 18.593 0.00 0.00 +ATOM 1634 HZ PHE X 95 29.907 38.349 18.421 0.00 0.00 +ATOM 1635 CE2 PHE X 95 31.205 39.806 17.509 0.00 0.00 +ATOM 1636 HE2 PHE X 95 31.006 39.315 16.568 0.00 0.00 +ATOM 1637 CD2 PHE X 95 31.935 40.962 17.754 0.00 0.00 +ATOM 1638 HD2 PHE X 95 32.487 41.410 16.941 0.00 0.00 +ATOM 1639 C PHE X 95 34.985 41.305 18.758 0.00 0.00 +ATOM 1640 O PHE X 95 35.693 41.789 17.871 0.00 0.00 +ATOM 1641 N ARG X 96 34.745 39.981 18.791 0.00 0.00 +ATOM 1642 H ARG X 96 34.288 39.554 19.583 0.00 0.00 +ATOM 1643 CA ARG X 96 35.308 38.979 17.879 0.00 0.00 +ATOM 1644 HA ARG X 96 35.513 39.418 16.903 0.00 0.00 +ATOM 1645 CB ARG X 96 36.655 38.524 18.515 0.00 0.00 +ATOM 1646 HB2 ARG X 96 36.511 38.235 19.556 0.00 0.00 +ATOM 1647 HB3 ARG X 96 36.851 37.569 18.027 0.00 0.00 +ATOM 1648 CG ARG X 96 37.929 39.300 18.347 0.00 0.00 +ATOM 1649 HG2 ARG X 96 37.850 39.561 17.292 0.00 0.00 +ATOM 1650 HG3 ARG X 96 37.872 40.202 18.957 0.00 0.00 +ATOM 1651 CD ARG X 96 39.244 38.588 18.603 0.00 0.00 +ATOM 1652 HD2 ARG X 96 40.084 39.259 18.425 0.00 0.00 +ATOM 1653 HD3 ARG X 96 39.246 38.216 19.628 0.00 0.00 +ATOM 1654 NE ARG X 96 39.531 37.458 17.775 0.00 0.00 +ATOM 1655 HE ARG X 96 38.857 37.065 17.133 0.00 0.00 +ATOM 1656 CZ ARG X 96 40.553 36.678 17.940 0.00 0.00 +ATOM 1657 NH1 ARG X 96 41.601 36.982 18.735 0.00 0.00 +ATOM 1658 HH11 ARG X 96 41.528 37.826 19.284 0.00 0.00 +ATOM 1659 HH12 ARG X 96 42.332 36.301 18.888 0.00 0.00 +ATOM 1660 NH2 ARG X 96 40.607 35.552 17.358 0.00 0.00 +ATOM 1661 HH21 ARG X 96 39.816 35.397 16.749 0.00 0.00 +ATOM 1662 HH22 ARG X 96 41.441 34.984 17.318 0.00 0.00 +ATOM 1663 C ARG X 96 34.366 37.746 17.779 0.00 0.00 +ATOM 1664 O ARG X 96 34.193 36.979 18.754 0.00 0.00 +ATOM 1665 N LEU X 97 33.778 37.563 16.627 0.00 0.00 +ATOM 1666 H LEU X 97 33.933 38.281 15.934 0.00 0.00 +ATOM 1667 CA LEU X 97 32.943 36.393 16.347 0.00 0.00 +ATOM 1668 HA LEU X 97 32.034 36.475 16.944 0.00 0.00 +ATOM 1669 CB LEU X 97 32.458 36.412 14.918 0.00 0.00 +ATOM 1670 HB2 LEU X 97 32.041 37.403 14.739 0.00 0.00 +ATOM 1671 HB3 LEU X 97 33.332 36.266 14.284 0.00 0.00 +ATOM 1672 CG LEU X 97 31.459 35.250 14.574 0.00 0.00 +ATOM 1673 HG LEU X 97 31.894 34.261 14.716 0.00 0.00 +ATOM 1674 CD1 LEU X 97 30.238 35.259 15.482 0.00 0.00 +ATOM 1675 HD11 LEU X 97 30.398 34.795 16.456 0.00 0.00 +ATOM 1676 HD12 LEU X 97 29.746 36.231 15.458 0.00 0.00 +ATOM 1677 HD13 LEU X 97 29.491 34.579 15.072 0.00 0.00 +ATOM 1678 CD2 LEU X 97 30.965 35.278 13.087 0.00 0.00 +ATOM 1679 HD21 LEU X 97 31.825 35.026 12.467 0.00 0.00 +ATOM 1680 HD22 LEU X 97 30.248 34.470 12.942 0.00 0.00 +ATOM 1681 HD23 LEU X 97 30.425 36.212 12.932 0.00 0.00 +ATOM 1682 C LEU X 97 33.524 35.090 16.775 0.00 0.00 +ATOM 1683 O LEU X 97 32.808 34.196 17.234 0.00 0.00 +ATOM 1684 N ASP X 98 34.818 34.925 16.466 0.00 0.00 +ATOM 1685 H ASP X 98 35.341 35.693 16.068 0.00 0.00 +ATOM 1686 CA ASP X 98 35.462 33.660 16.786 0.00 0.00 +ATOM 1687 HA ASP X 98 34.826 32.845 16.441 0.00 0.00 +ATOM 1688 CB ASP X 98 36.825 33.350 16.120 0.00 0.00 +ATOM 1689 HB2 ASP X 98 37.208 32.384 16.449 0.00 0.00 +ATOM 1690 HB3 ASP X 98 36.603 33.116 15.079 0.00 0.00 +ATOM 1691 CG ASP X 98 37.838 34.482 16.079 0.00 0.00 +ATOM 1692 OD1 ASP X 98 39.023 34.320 15.713 0.00 0.00 +ATOM 1693 OD2 ASP X 98 37.548 35.592 16.499 0.00 0.00 +ATOM 1694 C ASP X 98 35.741 33.497 18.326 0.00 0.00 +ATOM 1695 O ASP X 98 35.378 32.370 18.799 0.00 0.00 +ATOM 1696 N ILE X 99 36.172 34.503 19.116 0.00 0.00 +ATOM 1697 H ILE X 99 36.520 35.340 18.670 0.00 0.00 +ATOM 1698 CA ILE X 99 36.330 34.266 20.566 0.00 0.00 +ATOM 1699 HA ILE X 99 36.690 33.237 20.562 0.00 0.00 +ATOM 1700 CB ILE X 99 37.435 35.173 21.160 0.00 0.00 +ATOM 1701 HB ILE X 99 37.066 36.176 20.946 0.00 0.00 +ATOM 1702 CG2 ILE X 99 37.596 34.864 22.598 0.00 0.00 +ATOM 1703 HG21 ILE X 99 36.851 35.313 23.254 0.00 0.00 +ATOM 1704 HG22 ILE X 99 37.613 33.784 22.746 0.00 0.00 +ATOM 1705 HG23 ILE X 99 38.536 35.267 22.975 0.00 0.00 +ATOM 1706 CG1 ILE X 99 38.872 35.203 20.553 0.00 0.00 +ATOM 1707 HG12 ILE X 99 38.841 35.626 19.549 0.00 0.00 +ATOM 1708 HG13 ILE X 99 39.461 35.800 21.249 0.00 0.00 +ATOM 1709 CD1 ILE X 99 39.498 33.822 20.391 0.00 0.00 +ATOM 1710 HD11 ILE X 99 39.726 33.406 21.372 0.00 0.00 +ATOM 1711 HD12 ILE X 99 38.789 33.301 19.746 0.00 0.00 +ATOM 1712 HD13 ILE X 99 40.493 33.881 19.949 0.00 0.00 +ATOM 1713 C ILE X 99 34.996 34.191 21.318 0.00 0.00 +ATOM 1714 O ILE X 99 34.914 33.402 22.260 0.00 0.00 +ATOM 1715 N PHE X 100 33.916 34.877 20.877 0.00 0.00 +ATOM 1716 H PHE X 100 34.163 35.379 20.036 0.00 0.00 +ATOM 1717 CA PHE X 100 32.484 34.704 21.201 0.00 0.00 +ATOM 1718 HA PHE X 100 32.279 34.859 22.260 0.00 0.00 +ATOM 1719 CB PHE X 100 31.736 35.755 20.428 0.00 0.00 +ATOM 1720 HB2 PHE X 100 32.103 36.697 20.837 0.00 0.00 +ATOM 1721 HB3 PHE X 100 31.988 35.787 19.368 0.00 0.00 +ATOM 1722 CG PHE X 100 30.282 35.651 20.438 0.00 0.00 +ATOM 1723 CD1 PHE X 100 29.554 35.765 21.603 0.00 0.00 +ATOM 1724 HD1 PHE X 100 30.021 36.043 22.536 0.00 0.00 +ATOM 1725 CE1 PHE X 100 28.163 35.669 21.625 0.00 0.00 +ATOM 1726 HE1 PHE X 100 27.616 35.819 22.544 0.00 0.00 +ATOM 1727 CZ PHE X 100 27.448 35.463 20.434 0.00 0.00 +ATOM 1728 HZ PHE X 100 26.399 35.206 20.435 0.00 0.00 +ATOM 1729 CE2 PHE X 100 28.127 35.476 19.183 0.00 0.00 +ATOM 1730 HE2 PHE X 100 27.526 35.284 18.306 0.00 0.00 +ATOM 1731 CD2 PHE X 100 29.535 35.531 19.229 0.00 0.00 +ATOM 1732 HD2 PHE X 100 30.133 35.570 18.330 0.00 0.00 +ATOM 1733 C PHE X 100 32.058 33.240 21.008 0.00 0.00 +ATOM 1734 O PHE X 100 31.463 32.729 21.910 0.00 0.00 +ATOM 1735 N LYS X 101 32.255 32.617 19.843 0.00 0.00 +ATOM 1736 H LYS X 101 32.783 33.013 19.078 0.00 0.00 +ATOM 1737 CA LYS X 101 31.943 31.207 19.668 0.00 0.00 +ATOM 1738 HA LYS X 101 30.899 31.001 19.903 0.00 0.00 +ATOM 1739 CB LYS X 101 32.130 30.904 18.207 0.00 0.00 +ATOM 1740 HB2 LYS X 101 32.932 31.448 17.707 0.00 0.00 +ATOM 1741 HB3 LYS X 101 32.262 29.823 18.178 0.00 0.00 +ATOM 1742 CG LYS X 101 30.738 31.215 17.578 0.00 0.00 +ATOM 1743 HG2 LYS X 101 29.923 30.851 18.204 0.00 0.00 +ATOM 1744 HG3 LYS X 101 30.591 32.294 17.547 0.00 0.00 +ATOM 1745 CD LYS X 101 30.753 30.711 16.174 0.00 0.00 +ATOM 1746 HD2 LYS X 101 31.531 31.096 15.515 0.00 0.00 +ATOM 1747 HD3 LYS X 101 30.940 29.642 16.284 0.00 0.00 +ATOM 1748 CE LYS X 101 29.439 30.936 15.494 0.00 0.00 +ATOM 1749 HE2 LYS X 101 28.600 30.517 16.050 0.00 0.00 +ATOM 1750 HE3 LYS X 101 29.370 32.023 15.467 0.00 0.00 +ATOM 1751 NZ LYS X 101 29.267 30.481 14.074 0.00 0.00 +ATOM 1752 HZ1 LYS X 101 30.044 30.787 13.507 0.00 0.00 +ATOM 1753 HZ2 LYS X 101 29.387 29.479 14.119 0.00 0.00 +ATOM 1754 HZ3 LYS X 101 28.328 30.571 13.713 0.00 0.00 +ATOM 1755 C LYS X 101 32.690 30.220 20.525 0.00 0.00 +ATOM 1756 O LYS X 101 32.096 29.180 20.880 0.00 0.00 +ATOM 1757 N ASP X 102 33.915 30.538 21.008 0.00 0.00 +ATOM 1758 H ASP X 102 34.352 31.323 20.545 0.00 0.00 +ATOM 1759 CA ASP X 102 34.455 29.839 22.153 0.00 0.00 +ATOM 1760 HA ASP X 102 34.241 28.800 21.902 0.00 0.00 +ATOM 1761 CB ASP X 102 36.039 30.028 22.202 0.00 0.00 +ATOM 1762 HB2 ASP X 102 36.154 31.099 22.372 0.00 0.00 +ATOM 1763 HB3 ASP X 102 36.382 29.488 23.084 0.00 0.00 +ATOM 1764 CG ASP X 102 36.776 29.597 20.900 0.00 0.00 +ATOM 1765 OD1 ASP X 102 36.195 29.010 19.930 0.00 0.00 +ATOM 1766 OD2 ASP X 102 37.994 29.610 20.959 0.00 0.00 +ATOM 1767 C ASP X 102 33.866 30.164 23.514 0.00 0.00 +ATOM 1768 O ASP X 102 33.725 29.226 24.293 0.00 0.00 +ATOM 1769 N PHE X 103 33.523 31.407 23.773 0.00 0.00 +ATOM 1770 H PHE X 103 33.764 32.121 23.101 0.00 0.00 +ATOM 1771 CA PHE X 103 32.882 31.877 25.025 0.00 0.00 +ATOM 1772 HA PHE X 103 33.500 31.550 25.861 0.00 0.00 +ATOM 1773 CB PHE X 103 32.810 33.411 24.978 0.00 0.00 +ATOM 1774 HB2 PHE X 103 33.796 33.811 24.742 0.00 0.00 +ATOM 1775 HB3 PHE X 103 32.068 33.664 24.221 0.00 0.00 +ATOM 1776 CG PHE X 103 32.313 34.176 26.269 0.00 0.00 +ATOM 1777 CD1 PHE X 103 32.380 33.616 27.569 0.00 0.00 +ATOM 1778 HD1 PHE X 103 32.746 32.628 27.806 0.00 0.00 +ATOM 1779 CE1 PHE X 103 31.698 34.332 28.579 0.00 0.00 +ATOM 1780 HE1 PHE X 103 31.394 33.870 29.507 0.00 0.00 +ATOM 1781 CZ PHE X 103 31.124 35.568 28.380 0.00 0.00 +ATOM 1782 HZ PHE X 103 30.644 36.110 29.181 0.00 0.00 +ATOM 1783 CE2 PHE X 103 31.254 36.183 27.105 0.00 0.00 +ATOM 1784 HE2 PHE X 103 30.998 37.228 27.010 0.00 0.00 +ATOM 1785 CD2 PHE X 103 31.805 35.436 26.048 0.00 0.00 +ATOM 1786 HD2 PHE X 103 31.894 35.823 25.044 0.00 0.00 +ATOM 1787 C PHE X 103 31.528 31.171 25.203 0.00 0.00 +ATOM 1788 O PHE X 103 31.071 30.863 26.311 0.00 0.00 +ATOM 1789 N GLN X 104 30.928 30.748 24.112 0.00 0.00 +ATOM 1790 H GLN X 104 31.315 31.101 23.248 0.00 0.00 +ATOM 1791 CA GLN X 104 29.716 29.970 24.130 0.00 0.00 +ATOM 1792 HA GLN X 104 29.085 30.192 24.991 0.00 0.00 +ATOM 1793 CB GLN X 104 28.973 30.020 22.725 0.00 0.00 +ATOM 1794 HB2 GLN X 104 29.671 29.879 21.900 0.00 0.00 +ATOM 1795 HB3 GLN X 104 28.199 29.258 22.821 0.00 0.00 +ATOM 1796 CG GLN X 104 28.240 31.289 22.428 0.00 0.00 +ATOM 1797 HG2 GLN X 104 27.538 31.559 23.217 0.00 0.00 +ATOM 1798 HG3 GLN X 104 28.955 32.112 22.430 0.00 0.00 +ATOM 1799 CD GLN X 104 27.427 31.297 21.103 0.00 0.00 +ATOM 1800 OE1 GLN X 104 26.671 30.414 20.825 0.00 0.00 +ATOM 1801 NE2 GLN X 104 27.433 32.357 20.219 0.00 0.00 +ATOM 1802 HE21 GLN X 104 27.995 33.159 20.466 0.00 0.00 +ATOM 1803 HE22 GLN X 104 26.791 32.412 19.442 0.00 0.00 +ATOM 1804 C GLN X 104 29.968 28.460 24.328 0.00 0.00 +ATOM 1805 O GLN X 104 29.202 27.759 25.022 0.00 0.00 +ATOM 1806 N GLU X 105 31.031 27.868 23.807 0.00 0.00 +ATOM 1807 H GLU X 105 31.569 28.391 23.131 0.00 0.00 +ATOM 1808 CA GLU X 105 31.326 26.453 23.940 0.00 0.00 +ATOM 1809 HA GLU X 105 30.448 25.837 23.747 0.00 0.00 +ATOM 1810 CB GLU X 105 32.437 26.177 22.893 0.00 0.00 +ATOM 1811 HB2 GLU X 105 33.024 27.081 22.733 0.00 0.00 +ATOM 1812 HB3 GLU X 105 33.075 25.391 23.299 0.00 0.00 +ATOM 1813 CG GLU X 105 31.957 25.723 21.527 0.00 0.00 +ATOM 1814 HG2 GLU X 105 31.394 24.814 21.739 0.00 0.00 +ATOM 1815 HG3 GLU X 105 31.189 26.331 21.048 0.00 0.00 +ATOM 1816 CD GLU X 105 33.120 25.367 20.566 0.00 0.00 +ATOM 1817 OE1 GLU X 105 33.482 26.216 19.680 0.00 0.00 +ATOM 1818 OE2 GLU X 105 33.644 24.225 20.643 0.00 0.00 +ATOM 1819 C GLU X 105 31.796 26.088 25.463 0.00 0.00 +ATOM 1820 O GLU X 105 31.347 25.072 25.983 0.00 0.00 +ATOM 1821 N GLU X 106 32.592 26.910 26.167 0.00 0.00 +ATOM 1822 H GLU X 106 32.940 27.759 25.747 0.00 0.00 +ATOM 1823 CA GLU X 106 33.101 26.611 27.542 0.00 0.00 +ATOM 1824 HA GLU X 106 33.370 25.556 27.580 0.00 0.00 +ATOM 1825 CB GLU X 106 34.428 27.371 27.932 0.00 0.00 +ATOM 1826 HB2 GLU X 106 34.165 28.428 27.974 0.00 0.00 +ATOM 1827 HB3 GLU X 106 34.592 26.996 28.942 0.00 0.00 +ATOM 1828 CG GLU X 106 35.680 27.250 27.018 0.00 0.00 +ATOM 1829 HG2 GLU X 106 35.491 28.000 26.251 0.00 0.00 +ATOM 1830 HG3 GLU X 106 36.614 27.392 27.562 0.00 0.00 +ATOM 1831 CD GLU X 106 35.773 25.900 26.285 0.00 0.00 +ATOM 1832 OE1 GLU X 106 35.698 24.816 26.921 0.00 0.00 +ATOM 1833 OE2 GLU X 106 35.946 25.939 25.034 0.00 0.00 +ATOM 1834 C GLU X 106 31.883 26.885 28.461 0.00 0.00 +ATOM 1835 O GLU X 106 31.890 26.401 29.518 0.00 0.00 +ATOM 1836 N THR X 107 30.960 27.737 28.070 0.00 0.00 +ATOM 1837 H THR X 107 30.984 28.156 27.152 0.00 0.00 +ATOM 1838 CA THR X 107 29.722 27.923 28.768 0.00 0.00 +ATOM 1839 HA THR X 107 30.048 28.080 29.796 0.00 0.00 +ATOM 1840 CB THR X 107 29.078 29.259 28.487 0.00 0.00 +ATOM 1841 HB THR X 107 28.815 29.263 27.429 0.00 0.00 +ATOM 1842 CG2 THR X 107 27.773 29.644 29.248 0.00 0.00 +ATOM 1843 HG21 THR X 107 27.541 30.706 29.327 0.00 0.00 +ATOM 1844 HG22 THR X 107 26.915 29.109 28.840 0.00 0.00 +ATOM 1845 HG23 THR X 107 27.924 29.263 30.258 0.00 0.00 +ATOM 1846 OG1 THR X 107 29.869 30.367 28.598 0.00 0.00 +ATOM 1847 HG1 THR X 107 30.228 30.471 27.714 0.00 0.00 +ATOM 1848 C THR X 107 28.735 26.785 28.752 0.00 0.00 +ATOM 1849 O THR X 107 28.149 26.429 29.757 0.00 0.00 +ATOM 1850 N VAL X 108 28.531 26.094 27.617 0.00 0.00 +ATOM 1851 H VAL X 108 28.866 26.576 26.795 0.00 0.00 +ATOM 1852 CA VAL X 108 27.692 24.857 27.569 0.00 0.00 +ATOM 1853 HA VAL X 108 26.740 25.185 27.988 0.00 0.00 +ATOM 1854 CB VAL X 108 27.521 24.301 26.109 0.00 0.00 +ATOM 1855 HB VAL X 108 28.374 24.424 25.441 0.00 0.00 +ATOM 1856 CG1 VAL X 108 27.096 22.847 26.045 0.00 0.00 +ATOM 1857 HG11 VAL X 108 27.969 22.304 26.408 0.00 0.00 +ATOM 1858 HG12 VAL X 108 26.203 22.644 26.636 0.00 0.00 +ATOM 1859 HG13 VAL X 108 26.709 22.583 25.061 0.00 0.00 +ATOM 1860 CG2 VAL X 108 26.381 25.265 25.487 0.00 0.00 +ATOM 1861 HG21 VAL X 108 25.424 25.162 25.999 0.00 0.00 +ATOM 1862 HG22 VAL X 108 26.761 26.278 25.352 0.00 0.00 +ATOM 1863 HG23 VAL X 108 26.145 25.054 24.444 0.00 0.00 +ATOM 1864 C VAL X 108 28.225 23.835 28.559 0.00 0.00 +ATOM 1865 O VAL X 108 27.454 23.340 29.403 0.00 0.00 +ATOM 1866 N LYS X 109 29.504 23.530 28.518 0.00 0.00 +ATOM 1867 H LYS X 109 30.065 23.988 27.814 0.00 0.00 +ATOM 1868 CA LYS X 109 30.168 22.727 29.577 0.00 0.00 +ATOM 1869 HA LYS X 109 29.838 21.694 29.461 0.00 0.00 +ATOM 1870 CB LYS X 109 31.687 22.650 29.313 0.00 0.00 +ATOM 1871 HB2 LYS X 109 32.162 23.627 29.407 0.00 0.00 +ATOM 1872 HB3 LYS X 109 32.180 22.045 30.075 0.00 0.00 +ATOM 1873 CG LYS X 109 32.064 22.087 27.941 0.00 0.00 +ATOM 1874 HG2 LYS X 109 31.740 21.086 27.656 0.00 0.00 +ATOM 1875 HG3 LYS X 109 31.633 22.851 27.294 0.00 0.00 +ATOM 1876 CD LYS X 109 33.560 21.937 27.775 0.00 0.00 +ATOM 1877 HD2 LYS X 109 34.004 22.870 28.122 0.00 0.00 +ATOM 1878 HD3 LYS X 109 33.914 21.099 28.374 0.00 0.00 +ATOM 1879 CE LYS X 109 34.052 21.610 26.358 0.00 0.00 +ATOM 1880 HE2 LYS X 109 35.078 21.307 26.570 0.00 0.00 +ATOM 1881 HE3 LYS X 109 33.387 20.783 26.111 0.00 0.00 +ATOM 1882 NZ LYS X 109 34.069 22.912 25.672 0.00 0.00 +ATOM 1883 HZ1 LYS X 109 33.194 23.406 25.773 0.00 0.00 +ATOM 1884 HZ2 LYS X 109 34.796 23.465 26.102 0.00 0.00 +ATOM 1885 HZ3 LYS X 109 34.163 22.921 24.666 0.00 0.00 +ATOM 1886 C LYS X 109 29.950 23.195 31.082 0.00 0.00 +ATOM 1887 O LYS X 109 29.958 22.346 31.996 0.00 0.00 +ATOM 1888 N ASP X 110 29.836 24.482 31.417 0.00 0.00 +ATOM 1889 H ASP X 110 29.614 25.151 30.692 0.00 0.00 +ATOM 1890 CA ASP X 110 29.386 24.825 32.806 0.00 0.00 +ATOM 1891 HA ASP X 110 29.898 24.133 33.474 0.00 0.00 +ATOM 1892 CB ASP X 110 29.549 26.337 33.132 0.00 0.00 +ATOM 1893 HB2 ASP X 110 29.592 26.849 32.171 0.00 0.00 +ATOM 1894 HB3 ASP X 110 28.762 26.724 33.779 0.00 0.00 +ATOM 1895 CG ASP X 110 30.895 26.641 33.880 0.00 0.00 +ATOM 1896 OD1 ASP X 110 31.732 25.751 34.049 0.00 0.00 +ATOM 1897 OD2 ASP X 110 31.066 27.854 34.229 0.00 0.00 +ATOM 1898 C ASP X 110 27.945 24.437 33.179 0.00 0.00 +ATOM 1899 O ASP X 110 27.685 23.824 34.185 0.00 0.00 +ATOM 1900 N TYR X 111 27.011 24.659 32.235 0.00 0.00 +ATOM 1901 H TYR X 111 27.272 25.145 31.389 0.00 0.00 +ATOM 1902 CA TYR X 111 25.636 24.349 32.487 0.00 0.00 +ATOM 1903 HA TYR X 111 25.473 24.829 33.452 0.00 0.00 +ATOM 1904 CB TYR X 111 24.763 25.147 31.522 0.00 0.00 +ATOM 1905 HB2 TYR X 111 25.202 26.136 31.386 0.00 0.00 +ATOM 1906 HB3 TYR X 111 24.808 24.632 30.563 0.00 0.00 +ATOM 1907 CG TYR X 111 23.287 25.313 32.069 0.00 0.00 +ATOM 1908 CD1 TYR X 111 22.339 24.269 31.891 0.00 0.00 +ATOM 1909 HD1 TYR X 111 22.667 23.424 31.304 0.00 0.00 +ATOM 1910 CE1 TYR X 111 21.086 24.385 32.452 0.00 0.00 +ATOM 1911 HE1 TYR X 111 20.389 23.655 32.069 0.00 0.00 +ATOM 1912 CZ TYR X 111 20.739 25.581 33.224 0.00 0.00 +ATOM 1913 OH TYR X 111 19.509 25.675 33.738 0.00 0.00 +ATOM 1914 HH TYR X 111 19.221 24.760 33.696 0.00 0.00 +ATOM 1915 CE2 TYR X 111 21.691 26.519 33.565 0.00 0.00 +ATOM 1916 HE2 TYR X 111 21.552 27.326 34.269 0.00 0.00 +ATOM 1917 CD2 TYR X 111 23.006 26.302 33.040 0.00 0.00 +ATOM 1918 HD2 TYR X 111 23.843 26.891 33.384 0.00 0.00 +ATOM 1919 C TYR X 111 25.355 22.774 32.547 0.00 0.00 +ATOM 1920 O TYR X 111 24.692 22.323 33.478 0.00 0.00 +ATOM 1921 N GLU X 112 25.980 22.054 31.638 0.00 0.00 +ATOM 1922 H GLU X 112 26.474 22.557 30.914 0.00 0.00 +ATOM 1923 CA GLU X 112 25.997 20.540 31.711 0.00 0.00 +ATOM 1924 HA GLU X 112 24.941 20.334 31.534 0.00 0.00 +ATOM 1925 CB GLU X 112 26.869 19.969 30.558 0.00 0.00 +ATOM 1926 HB2 GLU X 112 27.736 20.628 30.507 0.00 0.00 +ATOM 1927 HB3 GLU X 112 27.165 18.931 30.706 0.00 0.00 +ATOM 1928 CG GLU X 112 25.986 20.006 29.292 0.00 0.00 +ATOM 1929 HG2 GLU X 112 25.253 20.812 29.281 0.00 0.00 +ATOM 1930 HG3 GLU X 112 26.724 20.141 28.501 0.00 0.00 +ATOM 1931 CD GLU X 112 25.149 18.650 29.129 0.00 0.00 +ATOM 1932 OE1 GLU X 112 24.744 18.138 30.143 0.00 0.00 +ATOM 1933 OE2 GLU X 112 25.123 18.177 27.992 0.00 0.00 +ATOM 1934 C GLU X 112 26.465 20.031 33.123 0.00 0.00 +ATOM 1935 O GLU X 112 25.994 19.085 33.749 0.00 0.00 +ATOM 1936 N ALA X 113 27.443 20.675 33.679 0.00 0.00 +ATOM 1937 H ALA X 113 27.799 21.518 33.252 0.00 0.00 +ATOM 1938 CA ALA X 113 28.044 20.431 34.983 0.00 0.00 +ATOM 1939 HA ALA X 113 28.153 19.378 35.242 0.00 0.00 +ATOM 1940 CB ALA X 113 29.436 20.972 35.050 0.00 0.00 +ATOM 1941 HB1 ALA X 113 29.492 22.056 34.943 0.00 0.00 +ATOM 1942 HB2 ALA X 113 29.863 20.692 36.013 0.00 0.00 +ATOM 1943 HB3 ALA X 113 30.063 20.659 34.215 0.00 0.00 +ATOM 1944 C ALA X 113 27.201 20.997 36.198 0.00 0.00 +ATOM 1945 O ALA X 113 27.618 20.823 37.348 0.00 0.00 +ATOM 1946 N GLY X 114 26.111 21.676 35.880 0.00 0.00 +ATOM 1947 H GLY X 114 25.843 21.618 34.908 0.00 0.00 +ATOM 1948 CA GLY X 114 25.334 22.490 36.885 0.00 0.00 +ATOM 1949 HA2 GLY X 114 24.555 23.046 36.363 0.00 0.00 +ATOM 1950 HA3 GLY X 114 24.909 21.836 37.647 0.00 0.00 +ATOM 1951 C GLY X 114 26.243 23.564 37.491 0.00 0.00 +ATOM 1952 O GLY X 114 26.000 23.935 38.634 0.00 0.00 +ATOM 1953 N GLN X 115 27.327 24.020 36.863 0.00 0.00 +ATOM 1954 H GLN X 115 27.388 23.715 35.902 0.00 0.00 +ATOM 1955 CA GLN X 115 28.066 25.218 37.258 0.00 0.00 +ATOM 1956 HA GLN X 115 28.214 25.286 38.336 0.00 0.00 +ATOM 1957 CB GLN X 115 29.479 25.174 36.774 0.00 0.00 +ATOM 1958 HB2 GLN X 115 29.448 25.066 35.690 0.00 0.00 +ATOM 1959 HB3 GLN X 115 29.946 26.158 36.809 0.00 0.00 +ATOM 1960 CG GLN X 115 30.336 24.067 37.401 0.00 0.00 +ATOM 1961 HG2 GLN X 115 29.735 23.188 37.635 0.00 0.00 +ATOM 1962 HG3 GLN X 115 31.183 23.778 36.779 0.00 0.00 +ATOM 1963 CD GLN X 115 31.015 24.435 38.666 0.00 0.00 +ATOM 1964 OE1 GLN X 115 30.853 25.500 39.219 0.00 0.00 +ATOM 1965 NE2 GLN X 115 31.650 23.504 39.331 0.00 0.00 +ATOM 1966 HE21 GLN X 115 31.597 22.573 38.943 0.00 0.00 +ATOM 1967 HE22 GLN X 115 32.120 23.769 40.185 0.00 0.00 +ATOM 1968 C GLN X 115 27.461 26.479 36.781 0.00 0.00 +ATOM 1969 O GLN X 115 26.675 26.577 35.797 0.00 0.00 +ATOM 1970 N LEU X 116 27.710 27.540 37.553 0.00 0.00 +ATOM 1971 H LEU X 116 28.524 27.382 38.130 0.00 0.00 +ATOM 1972 CA LEU X 116 27.136 28.883 37.419 0.00 0.00 +ATOM 1973 HA LEU X 116 26.185 28.902 36.886 0.00 0.00 +ATOM 1974 CB LEU X 116 26.929 29.422 38.864 0.00 0.00 +ATOM 1975 HB2 LEU X 116 27.926 29.314 39.290 0.00 0.00 +ATOM 1976 HB3 LEU X 116 26.593 30.460 38.859 0.00 0.00 +ATOM 1977 CG LEU X 116 25.965 28.560 39.679 0.00 0.00 +ATOM 1978 HG LEU X 116 26.453 27.642 40.006 0.00 0.00 +ATOM 1979 CD1 LEU X 116 25.539 29.360 40.844 0.00 0.00 +ATOM 1980 HD11 LEU X 116 25.010 28.710 41.541 0.00 0.00 +ATOM 1981 HD12 LEU X 116 26.392 29.798 41.362 0.00 0.00 +ATOM 1982 HD13 LEU X 116 24.742 29.956 40.400 0.00 0.00 +ATOM 1983 CD2 LEU X 116 24.640 28.126 38.974 0.00 0.00 +ATOM 1984 HD21 LEU X 116 24.809 27.303 38.280 0.00 0.00 +ATOM 1985 HD22 LEU X 116 23.915 27.688 39.661 0.00 0.00 +ATOM 1986 HD23 LEU X 116 24.236 29.047 38.555 0.00 0.00 +ATOM 1987 C LEU X 116 27.936 29.918 36.604 0.00 0.00 +ATOM 1988 O LEU X 116 27.373 30.659 35.761 0.00 0.00 +ATOM 1989 N TYR X 117 29.256 29.946 36.789 0.00 0.00 +ATOM 1990 H TYR X 117 29.697 29.275 37.402 0.00 0.00 +ATOM 1991 CA TYR X 117 29.925 31.244 36.597 0.00 0.00 +ATOM 1992 HA TYR X 117 29.357 31.989 37.154 0.00 0.00 +ATOM 1993 CB TYR X 117 31.322 31.204 37.231 0.00 0.00 +ATOM 1994 HB2 TYR X 117 31.213 30.865 38.261 0.00 0.00 +ATOM 1995 HB3 TYR X 117 31.836 30.458 36.626 0.00 0.00 +ATOM 1996 CG TYR X 117 32.096 32.451 37.208 0.00 0.00 +ATOM 1997 CD1 TYR X 117 31.971 33.232 38.335 0.00 0.00 +ATOM 1998 HD1 TYR X 117 31.370 32.967 39.193 0.00 0.00 +ATOM 1999 CE1 TYR X 117 32.629 34.485 38.387 0.00 0.00 +ATOM 2000 HE1 TYR X 117 32.539 35.183 39.207 0.00 0.00 +ATOM 2001 CZ TYR X 117 33.467 34.942 37.338 0.00 0.00 +ATOM 2002 OH TYR X 117 34.226 36.048 37.495 0.00 0.00 +ATOM 2003 HH TYR X 117 33.760 36.887 37.519 0.00 0.00 +ATOM 2004 CE2 TYR X 117 33.515 34.140 36.157 0.00 0.00 +ATOM 2005 HE2 TYR X 117 34.175 34.427 35.351 0.00 0.00 +ATOM 2006 CD2 TYR X 117 32.863 32.842 36.128 0.00 0.00 +ATOM 2007 HD2 TYR X 117 32.989 32.153 35.306 0.00 0.00 +ATOM 2008 C TYR X 117 29.989 31.661 35.159 0.00 0.00 +ATOM 2009 O TYR X 117 29.849 32.810 34.834 0.00 0.00 +ATOM 2010 N GLY X 118 30.229 30.659 34.263 0.00 0.00 +ATOM 2011 H GLY X 118 30.333 29.706 34.580 0.00 0.00 +ATOM 2012 CA GLY X 118 30.406 30.892 32.875 0.00 0.00 +ATOM 2013 HA2 GLY X 118 31.267 31.548 32.740 0.00 0.00 +ATOM 2014 HA3 GLY X 118 30.520 29.970 32.304 0.00 0.00 +ATOM 2015 C GLY X 118 29.105 31.412 32.227 0.00 0.00 +ATOM 2016 O GLY X 118 29.129 32.360 31.501 0.00 0.00 +ATOM 2017 N LEU X 119 27.950 30.888 32.570 0.00 0.00 +ATOM 2018 H LEU X 119 27.917 30.005 33.060 0.00 0.00 +ATOM 2019 CA LEU X 119 26.718 31.422 32.210 0.00 0.00 +ATOM 2020 HA LEU X 119 26.778 31.694 31.156 0.00 0.00 +ATOM 2021 CB LEU X 119 25.722 30.228 32.204 0.00 0.00 +ATOM 2022 HB2 LEU X 119 26.238 29.292 31.988 0.00 0.00 +ATOM 2023 HB3 LEU X 119 25.311 30.144 33.210 0.00 0.00 +ATOM 2024 CG LEU X 119 24.436 30.358 31.394 0.00 0.00 +ATOM 2025 HG LEU X 119 23.859 31.133 31.898 0.00 0.00 +ATOM 2026 CD1 LEU X 119 24.624 30.833 29.917 0.00 0.00 +ATOM 2027 HD11 LEU X 119 23.667 31.083 29.460 0.00 0.00 +ATOM 2028 HD12 LEU X 119 25.297 31.682 29.795 0.00 0.00 +ATOM 2029 HD13 LEU X 119 25.123 30.006 29.411 0.00 0.00 +ATOM 2030 CD2 LEU X 119 23.675 29.102 31.273 0.00 0.00 +ATOM 2031 HD21 LEU X 119 23.366 28.773 32.266 0.00 0.00 +ATOM 2032 HD22 LEU X 119 22.831 29.250 30.599 0.00 0.00 +ATOM 2033 HD23 LEU X 119 24.329 28.376 30.791 0.00 0.00 +ATOM 2034 C LEU X 119 26.286 32.735 32.895 0.00 0.00 +ATOM 2035 O LEU X 119 25.630 33.511 32.241 0.00 0.00 +ATOM 2036 N GLU X 120 26.738 32.926 34.136 0.00 0.00 +ATOM 2037 H GLU X 120 27.219 32.168 34.598 0.00 0.00 +ATOM 2038 CA GLU X 120 26.729 34.271 34.794 0.00 0.00 +ATOM 2039 HA GLU X 120 25.666 34.507 34.844 0.00 0.00 +ATOM 2040 CB GLU X 120 27.151 34.131 36.284 0.00 0.00 +ATOM 2041 HB2 GLU X 120 26.688 33.264 36.756 0.00 0.00 +ATOM 2042 HB3 GLU X 120 28.234 34.025 36.339 0.00 0.00 +ATOM 2043 CG GLU X 120 26.792 35.362 37.075 0.00 0.00 +ATOM 2044 HG2 GLU X 120 27.045 36.281 36.546 0.00 0.00 +ATOM 2045 HG3 GLU X 120 25.720 35.416 37.264 0.00 0.00 +ATOM 2046 CD GLU X 120 27.521 35.262 38.496 0.00 0.00 +ATOM 2047 OE1 GLU X 120 28.684 35.768 38.629 0.00 0.00 +ATOM 2048 OE2 GLU X 120 26.947 34.759 39.472 0.00 0.00 +ATOM 2049 C GLU X 120 27.455 35.358 33.985 0.00 0.00 +ATOM 2050 O GLU X 120 26.892 36.442 33.632 0.00 0.00 +ATOM 2051 N LYS X 121 28.704 35.110 33.522 0.00 0.00 +ATOM 2052 H LYS X 121 29.126 34.197 33.611 0.00 0.00 +ATOM 2053 CA LYS X 121 29.360 36.098 32.674 0.00 0.00 +ATOM 2054 HA LYS X 121 29.217 37.104 33.069 0.00 0.00 +ATOM 2055 CB LYS X 121 30.915 35.827 32.401 0.00 0.00 +ATOM 2056 HB2 LYS X 121 31.144 34.988 31.744 0.00 0.00 +ATOM 2057 HB3 LYS X 121 31.373 36.664 31.875 0.00 0.00 +ATOM 2058 CG LYS X 121 31.757 35.682 33.666 0.00 0.00 +ATOM 2059 HG2 LYS X 121 31.783 34.666 34.060 0.00 0.00 +ATOM 2060 HG3 LYS X 121 32.775 35.869 33.325 0.00 0.00 +ATOM 2061 CD LYS X 121 31.515 36.675 34.764 0.00 0.00 +ATOM 2062 HD2 LYS X 121 32.449 36.864 35.294 0.00 0.00 +ATOM 2063 HD3 LYS X 121 31.305 37.690 34.427 0.00 0.00 +ATOM 2064 CE LYS X 121 30.562 36.177 35.842 0.00 0.00 +ATOM 2065 HE2 LYS X 121 29.617 35.858 35.403 0.00 0.00 +ATOM 2066 HE3 LYS X 121 30.989 35.284 36.297 0.00 0.00 +ATOM 2067 NZ LYS X 121 30.455 37.217 36.863 0.00 0.00 +ATOM 2068 HZ1 LYS X 121 31.368 37.547 37.143 0.00 0.00 +ATOM 2069 HZ2 LYS X 121 29.852 37.980 36.590 0.00 0.00 +ATOM 2070 HZ3 LYS X 121 30.009 36.803 37.669 0.00 0.00 +ATOM 2071 C LYS X 121 28.684 36.104 31.270 0.00 0.00 +ATOM 2072 O LYS X 121 28.705 37.119 30.695 0.00 0.00 +ATOM 2073 N PHE X 122 28.319 34.968 30.719 0.00 0.00 +ATOM 2074 H PHE X 122 28.361 34.105 31.241 0.00 0.00 +ATOM 2075 CA PHE X 122 27.832 34.900 29.308 0.00 0.00 +ATOM 2076 HA PHE X 122 28.550 35.450 28.700 0.00 0.00 +ATOM 2077 CB PHE X 122 27.901 33.431 28.719 0.00 0.00 +ATOM 2078 HB2 PHE X 122 28.890 32.980 28.804 0.00 0.00 +ATOM 2079 HB3 PHE X 122 27.148 32.910 29.310 0.00 0.00 +ATOM 2080 CG PHE X 122 27.475 33.366 27.282 0.00 0.00 +ATOM 2081 CD1 PHE X 122 28.394 33.732 26.297 0.00 0.00 +ATOM 2082 HD1 PHE X 122 29.443 33.914 26.480 0.00 0.00 +ATOM 2083 CE1 PHE X 122 27.955 33.871 25.010 0.00 0.00 +ATOM 2084 HE1 PHE X 122 28.614 34.119 24.191 0.00 0.00 +ATOM 2085 CZ PHE X 122 26.627 33.679 24.690 0.00 0.00 +ATOM 2086 HZ PHE X 122 26.217 33.854 23.707 0.00 0.00 +ATOM 2087 CE2 PHE X 122 25.719 33.265 25.701 0.00 0.00 +ATOM 2088 HE2 PHE X 122 24.663 33.174 25.495 0.00 0.00 +ATOM 2089 CD2 PHE X 122 26.118 33.062 26.999 0.00 0.00 +ATOM 2090 HD2 PHE X 122 25.446 32.754 27.786 0.00 0.00 +ATOM 2091 C PHE X 122 26.449 35.575 29.247 0.00 0.00 +ATOM 2092 O PHE X 122 26.196 36.329 28.282 0.00 0.00 +ATOM 2093 N TRP X 123 25.528 35.453 30.207 0.00 0.00 +ATOM 2094 H TRP X 123 25.730 34.740 30.894 0.00 0.00 +ATOM 2095 CA TRP X 123 24.296 36.229 30.277 0.00 0.00 +ATOM 2096 HA TRP X 123 23.868 36.309 29.277 0.00 0.00 +ATOM 2097 CB TRP X 123 23.290 35.608 31.288 0.00 0.00 +ATOM 2098 HB2 TRP X 123 22.955 34.631 30.941 0.00 0.00 +ATOM 2099 HB3 TRP X 123 23.848 35.536 32.222 0.00 0.00 +ATOM 2100 CG TRP X 123 22.071 36.383 31.617 0.00 0.00 +ATOM 2101 CD1 TRP X 123 21.632 36.617 32.883 0.00 0.00 +ATOM 2102 HD1 TRP X 123 22.075 36.272 33.806 0.00 0.00 +ATOM 2103 NE1 TRP X 123 20.417 37.287 32.835 0.00 0.00 +ATOM 2104 HE1 TRP X 123 19.739 37.346 33.581 0.00 0.00 +ATOM 2105 CE2 TRP X 123 20.069 37.517 31.506 0.00 0.00 +ATOM 2106 CZ2 TRP X 123 18.924 38.130 31.016 0.00 0.00 +ATOM 2107 HZ2 TRP X 123 18.234 38.632 31.678 0.00 0.00 +ATOM 2108 CH2 TRP X 123 18.678 38.206 29.653 0.00 0.00 +ATOM 2109 HH2 TRP X 123 17.797 38.692 29.263 0.00 0.00 +ATOM 2110 CZ3 TRP X 123 19.681 37.691 28.757 0.00 0.00 +ATOM 2111 HZ3 TRP X 123 19.551 37.964 27.720 0.00 0.00 +ATOM 2112 CE3 TRP X 123 20.849 37.027 29.289 0.00 0.00 +ATOM 2113 HE3 TRP X 123 21.614 36.751 28.578 0.00 0.00 +ATOM 2114 CD2 TRP X 123 21.042 36.884 30.727 0.00 0.00 +ATOM 2115 C TRP X 123 24.546 37.758 30.486 0.00 0.00 +ATOM 2116 O TRP X 123 24.058 38.511 29.656 0.00 0.00 +ATOM 2117 N ALA X 124 25.376 38.116 31.512 0.00 0.00 +ATOM 2118 H ALA X 124 25.850 37.389 32.029 0.00 0.00 +ATOM 2119 CA ALA X 124 25.670 39.534 31.654 0.00 0.00 +ATOM 2120 HA ALA X 124 24.727 40.070 31.763 0.00 0.00 +ATOM 2121 CB ALA X 124 26.574 39.593 32.907 0.00 0.00 +ATOM 2122 HB1 ALA X 124 27.046 40.574 32.963 0.00 0.00 +ATOM 2123 HB2 ALA X 124 26.078 39.385 33.855 0.00 0.00 +ATOM 2124 HB3 ALA X 124 27.410 38.893 32.898 0.00 0.00 +ATOM 2125 C ALA X 124 26.500 40.117 30.448 0.00 0.00 +ATOM 2126 O ALA X 124 26.654 41.331 30.289 0.00 0.00 +ATOM 2127 N PHE X 125 27.165 39.304 29.584 0.00 0.00 +ATOM 2128 H PHE X 125 27.167 38.297 29.659 0.00 0.00 +ATOM 2129 CA PHE X 125 27.665 39.837 28.343 0.00 0.00 +ATOM 2130 HA PHE X 125 28.059 40.833 28.546 0.00 0.00 +ATOM 2131 CB PHE X 125 28.831 38.904 27.846 0.00 0.00 +ATOM 2132 HB2 PHE X 125 29.598 38.839 28.617 0.00 0.00 +ATOM 2133 HB3 PHE X 125 28.355 37.966 27.562 0.00 0.00 +ATOM 2134 CG PHE X 125 29.377 39.360 26.543 0.00 0.00 +ATOM 2135 CD1 PHE X 125 30.462 40.301 26.543 0.00 0.00 +ATOM 2136 HD1 PHE X 125 30.986 40.674 27.410 0.00 0.00 +ATOM 2137 CE1 PHE X 125 30.976 40.721 25.306 0.00 0.00 +ATOM 2138 HE1 PHE X 125 31.792 41.426 25.264 0.00 0.00 +ATOM 2139 CZ PHE X 125 30.452 40.187 24.094 0.00 0.00 +ATOM 2140 HZ PHE X 125 30.867 40.479 23.140 0.00 0.00 +ATOM 2141 CE2 PHE X 125 29.304 39.331 24.170 0.00 0.00 +ATOM 2142 HE2 PHE X 125 28.752 39.012 23.299 0.00 0.00 +ATOM 2143 CD2 PHE X 125 28.804 38.854 25.425 0.00 0.00 +ATOM 2144 HD2 PHE X 125 27.957 38.184 25.417 0.00 0.00 +ATOM 2145 C PHE X 125 26.496 39.906 27.343 0.00 0.00 +ATOM 2146 O PHE X 125 26.273 41.034 26.855 0.00 0.00 +ATOM 2147 N LEU X 126 25.689 38.885 27.084 0.00 0.00 +ATOM 2148 H LEU X 126 25.753 38.031 27.619 0.00 0.00 +ATOM 2149 CA LEU X 126 24.702 38.836 25.976 0.00 0.00 +ATOM 2150 HA LEU X 126 25.161 39.325 25.117 0.00 0.00 +ATOM 2151 CB LEU X 126 24.314 37.328 25.758 0.00 0.00 +ATOM 2152 HB2 LEU X 126 25.252 36.783 25.862 0.00 0.00 +ATOM 2153 HB3 LEU X 126 23.785 37.032 26.664 0.00 0.00 +ATOM 2154 CG LEU X 126 23.573 36.905 24.458 0.00 0.00 +ATOM 2155 HG LEU X 126 22.785 37.633 24.267 0.00 0.00 +ATOM 2156 CD1 LEU X 126 24.547 36.749 23.303 0.00 0.00 +ATOM 2157 HD11 LEU X 126 25.233 37.580 23.137 0.00 0.00 +ATOM 2158 HD12 LEU X 126 25.190 35.881 23.446 0.00 0.00 +ATOM 2159 HD13 LEU X 126 24.077 36.526 22.345 0.00 0.00 +ATOM 2160 CD2 LEU X 126 22.866 35.520 24.583 0.00 0.00 +ATOM 2161 HD21 LEU X 126 23.560 34.824 25.054 0.00 0.00 +ATOM 2162 HD22 LEU X 126 21.992 35.592 25.231 0.00 0.00 +ATOM 2163 HD23 LEU X 126 22.571 35.131 23.609 0.00 0.00 +ATOM 2164 C LEU X 126 23.434 39.664 26.257 0.00 0.00 +ATOM 2165 O LEU X 126 22.659 39.969 25.378 0.00 0.00 +ATOM 2166 N LYS X 127 23.208 40.027 27.549 0.00 0.00 +ATOM 2167 H LYS X 127 23.916 39.816 28.238 0.00 0.00 +ATOM 2168 CA LYS X 127 22.087 41.022 27.923 0.00 0.00 +ATOM 2169 HA LYS X 127 21.200 40.637 27.420 0.00 0.00 +ATOM 2170 CB LYS X 127 21.850 40.770 29.383 0.00 0.00 +ATOM 2171 HB2 LYS X 127 21.483 39.760 29.565 0.00 0.00 +ATOM 2172 HB3 LYS X 127 22.739 40.794 30.013 0.00 0.00 +ATOM 2173 CG LYS X 127 20.898 41.755 30.008 0.00 0.00 +ATOM 2174 HG2 LYS X 127 20.774 41.428 31.040 0.00 0.00 +ATOM 2175 HG3 LYS X 127 21.255 42.780 30.108 0.00 0.00 +ATOM 2176 CD LYS X 127 19.430 41.788 29.392 0.00 0.00 +ATOM 2177 HD2 LYS X 127 19.550 42.338 28.458 0.00 0.00 +ATOM 2178 HD3 LYS X 127 19.122 40.758 29.212 0.00 0.00 +ATOM 2179 CE LYS X 127 18.335 42.516 30.191 0.00 0.00 +ATOM 2180 HE2 LYS X 127 17.893 41.830 30.913 0.00 0.00 +ATOM 2181 HE3 LYS X 127 18.835 43.285 30.780 0.00 0.00 +ATOM 2182 NZ LYS X 127 17.400 43.245 29.355 0.00 0.00 +ATOM 2183 HZ1 LYS X 127 17.849 43.716 28.582 0.00 0.00 +ATOM 2184 HZ2 LYS X 127 16.604 42.738 28.994 0.00 0.00 +ATOM 2185 HZ3 LYS X 127 16.946 43.976 29.884 0.00 0.00 +ATOM 2186 C LYS X 127 22.524 42.517 27.560 0.00 0.00 +ATOM 2187 O LYS X 127 21.677 43.341 27.297 0.00 0.00 +ATOM 2188 N TYR X 128 23.853 42.818 27.406 0.00 0.00 +ATOM 2189 H TYR X 128 24.579 42.116 27.441 0.00 0.00 +ATOM 2190 CA TYR X 128 24.273 44.133 26.965 0.00 0.00 +ATOM 2191 HA TYR X 128 23.430 44.803 26.798 0.00 0.00 +ATOM 2192 CB TYR X 128 24.956 44.645 28.166 0.00 0.00 +ATOM 2193 HB2 TYR X 128 25.735 43.977 28.534 0.00 0.00 +ATOM 2194 HB3 TYR X 128 25.610 45.484 27.928 0.00 0.00 +ATOM 2195 CG TYR X 128 24.052 44.995 29.325 0.00 0.00 +ATOM 2196 CD1 TYR X 128 23.628 46.305 29.475 0.00 0.00 +ATOM 2197 HD1 TYR X 128 23.862 46.992 28.675 0.00 0.00 +ATOM 2198 CE1 TYR X 128 22.825 46.687 30.623 0.00 0.00 +ATOM 2199 HE1 TYR X 128 22.502 47.709 30.762 0.00 0.00 +ATOM 2200 CZ TYR X 128 22.550 45.718 31.637 0.00 0.00 +ATOM 2201 OH TYR X 128 21.849 45.949 32.760 0.00 0.00 +ATOM 2202 HH TYR X 128 21.908 46.860 33.058 0.00 0.00 +ATOM 2203 CE2 TYR X 128 23.068 44.407 31.506 0.00 0.00 +ATOM 2204 HE2 TYR X 128 22.855 43.723 32.313 0.00 0.00 +ATOM 2205 CD2 TYR X 128 23.875 44.067 30.415 0.00 0.00 +ATOM 2206 HD2 TYR X 128 24.353 43.099 30.393 0.00 0.00 +ATOM 2207 C TYR X 128 25.024 44.232 25.624 0.00 0.00 +ATOM 2208 O TYR X 128 24.995 45.323 25.061 0.00 0.00 +ATOM 2209 N SER X 129 25.539 43.176 25.057 0.00 0.00 +ATOM 2210 H SER X 129 25.293 42.276 25.444 0.00 0.00 +ATOM 2211 CA SER X 129 26.201 43.212 23.760 0.00 0.00 +ATOM 2212 HA SER X 129 26.873 44.069 23.710 0.00 0.00 +ATOM 2213 CB SER X 129 27.109 42.009 23.721 0.00 0.00 +ATOM 2214 HB2 SER X 129 27.731 42.042 24.616 0.00 0.00 +ATOM 2215 HB3 SER X 129 26.639 41.026 23.747 0.00 0.00 +ATOM 2216 OG SER X 129 27.913 42.054 22.572 0.00 0.00 +ATOM 2217 HG SER X 129 28.805 42.175 22.905 0.00 0.00 +ATOM 2218 C SER X 129 25.275 43.167 22.598 0.00 0.00 +ATOM 2219 O SER X 129 24.354 42.371 22.621 0.00 0.00 +ATOM 2220 N LYS X 130 25.480 43.870 21.579 0.00 0.00 +ATOM 2221 H LYS X 130 26.179 44.597 21.641 0.00 0.00 +ATOM 2222 CA LYS X 130 24.966 43.618 20.165 0.00 0.00 +ATOM 2223 HA LYS X 130 23.898 43.836 20.195 0.00 0.00 +ATOM 2224 CB LYS X 130 25.505 44.693 19.273 0.00 0.00 +ATOM 2225 HB2 LYS X 130 26.593 44.645 19.296 0.00 0.00 +ATOM 2226 HB3 LYS X 130 25.289 44.521 18.219 0.00 0.00 +ATOM 2227 CG LYS X 130 24.874 46.099 19.675 0.00 0.00 +ATOM 2228 HG2 LYS X 130 23.806 45.965 19.845 0.00 0.00 +ATOM 2229 HG3 LYS X 130 25.349 46.452 20.590 0.00 0.00 +ATOM 2230 CD LYS X 130 25.150 47.165 18.661 0.00 0.00 +ATOM 2231 HD2 LYS X 130 24.560 47.083 17.749 0.00 0.00 +ATOM 2232 HD3 LYS X 130 24.826 48.089 19.140 0.00 0.00 +ATOM 2233 CE LYS X 130 26.646 47.140 18.265 0.00 0.00 +ATOM 2234 HE2 LYS X 130 27.244 47.199 19.174 0.00 0.00 +ATOM 2235 HE3 LYS X 130 26.848 46.179 17.793 0.00 0.00 +ATOM 2236 NZ LYS X 130 26.929 48.244 17.281 0.00 0.00 +ATOM 2237 HZ1 LYS X 130 26.904 49.136 17.754 0.00 0.00 +ATOM 2238 HZ2 LYS X 130 27.829 48.179 16.828 0.00 0.00 +ATOM 2239 HZ3 LYS X 130 26.295 48.253 16.494 0.00 0.00 +ATOM 2240 C LYS X 130 25.204 42.195 19.595 0.00 0.00 +ATOM 2241 O LYS X 130 24.532 41.905 18.594 0.00 0.00 +ATOM 2242 N ALA X 131 26.014 41.358 20.147 0.00 0.00 +ATOM 2243 H ALA X 131 26.670 41.670 20.849 0.00 0.00 +ATOM 2244 CA ALA X 131 25.939 39.963 19.921 0.00 0.00 +ATOM 2245 HA ALA X 131 26.125 39.698 18.880 0.00 0.00 +ATOM 2246 CB ALA X 131 26.970 39.298 20.844 0.00 0.00 +ATOM 2247 HB1 ALA X 131 26.837 39.528 21.901 0.00 0.00 +ATOM 2248 HB2 ALA X 131 26.865 38.213 20.847 0.00 0.00 +ATOM 2249 HB3 ALA X 131 27.936 39.581 20.426 0.00 0.00 +ATOM 2250 C ALA X 131 24.585 39.328 20.277 0.00 0.00 +ATOM 2251 O ALA X 131 24.331 38.254 19.703 0.00 0.00 +ATOM 2252 N LYS X 132 23.675 39.986 21.027 0.00 0.00 +ATOM 2253 H LYS X 132 24.079 40.707 21.608 0.00 0.00 +ATOM 2254 CA LYS X 132 22.256 39.573 21.324 0.00 0.00 +ATOM 2255 HA LYS X 132 22.205 38.617 21.844 0.00 0.00 +ATOM 2256 CB LYS X 132 21.620 40.703 22.118 0.00 0.00 +ATOM 2257 HB2 LYS X 132 20.710 40.232 22.489 0.00 0.00 +ATOM 2258 HB3 LYS X 132 22.166 40.851 23.050 0.00 0.00 +ATOM 2259 CG LYS X 132 21.278 42.079 21.433 0.00 0.00 +ATOM 2260 HG2 LYS X 132 22.183 42.550 21.050 0.00 0.00 +ATOM 2261 HG3 LYS X 132 20.585 41.833 20.629 0.00 0.00 +ATOM 2262 CD LYS X 132 20.589 42.951 22.487 0.00 0.00 +ATOM 2263 HD2 LYS X 132 20.294 43.894 22.028 0.00 0.00 +ATOM 2264 HD3 LYS X 132 19.713 42.411 22.846 0.00 0.00 +ATOM 2265 CE LYS X 132 21.417 43.241 23.692 0.00 0.00 +ATOM 2266 HE2 LYS X 132 21.588 42.375 24.331 0.00 0.00 +ATOM 2267 HE3 LYS X 132 22.399 43.600 23.383 0.00 0.00 +ATOM 2268 NZ LYS X 132 20.773 44.354 24.503 0.00 0.00 +ATOM 2269 HZ1 LYS X 132 21.225 45.232 24.292 0.00 0.00 +ATOM 2270 HZ2 LYS X 132 19.856 44.649 24.198 0.00 0.00 +ATOM 2271 HZ3 LYS X 132 20.722 44.110 25.482 0.00 0.00 +ATOM 2272 C LYS X 132 21.467 39.258 20.025 0.00 0.00 +ATOM 2273 O LYS X 132 20.560 38.428 20.131 0.00 0.00 +ATOM 2274 N ASN X 133 21.837 39.947 18.966 0.00 0.00 +ATOM 2275 H ASN X 133 22.498 40.692 19.136 0.00 0.00 +ATOM 2276 CA ASN X 133 21.188 39.713 17.607 0.00 0.00 +ATOM 2277 HA ASN X 133 20.128 39.578 17.822 0.00 0.00 +ATOM 2278 CB ASN X 133 21.295 41.001 16.808 0.00 0.00 +ATOM 2279 HB2 ASN X 133 22.307 41.106 16.417 0.00 0.00 +ATOM 2280 HB3 ASN X 133 20.692 40.954 15.902 0.00 0.00 +ATOM 2281 CG ASN X 133 20.933 42.280 17.599 0.00 0.00 +ATOM 2282 OD1 ASN X 133 19.780 42.537 17.788 0.00 0.00 +ATOM 2283 ND2 ASN X 133 21.863 43.054 18.058 0.00 0.00 +ATOM 2284 HD21 ASN X 133 22.828 42.760 18.008 0.00 0.00 +ATOM 2285 HD22 ASN X 133 21.543 43.909 18.489 0.00 0.00 +ATOM 2286 C ASN X 133 21.622 38.444 16.774 0.00 0.00 +ATOM 2287 O ASN X 133 21.191 38.287 15.651 0.00 0.00 +ATOM 2288 N LEU X 134 22.698 37.755 17.241 0.00 0.00 +ATOM 2289 H LEU X 134 22.885 37.954 18.214 0.00 0.00 +ATOM 2290 CA LEU X 134 23.410 36.651 16.537 0.00 0.00 +ATOM 2291 HA LEU X 134 23.225 36.832 15.478 0.00 0.00 +ATOM 2292 CB LEU X 134 24.943 36.632 16.824 0.00 0.00 +ATOM 2293 HB2 LEU X 134 25.185 36.534 17.883 0.00 0.00 +ATOM 2294 HB3 LEU X 134 25.324 35.688 16.435 0.00 0.00 +ATOM 2295 CG LEU X 134 25.755 37.800 16.309 0.00 0.00 +ATOM 2296 HG LEU X 134 25.450 38.715 16.818 0.00 0.00 +ATOM 2297 CD1 LEU X 134 27.276 37.494 16.467 0.00 0.00 +ATOM 2298 HD11 LEU X 134 27.864 38.314 16.053 0.00 0.00 +ATOM 2299 HD12 LEU X 134 27.552 37.569 17.518 0.00 0.00 +ATOM 2300 HD13 LEU X 134 27.500 36.501 16.078 0.00 0.00 +ATOM 2301 CD2 LEU X 134 25.514 38.056 14.843 0.00 0.00 +ATOM 2302 HD21 LEU X 134 24.559 38.581 14.806 0.00 0.00 +ATOM 2303 HD22 LEU X 134 26.367 38.626 14.477 0.00 0.00 +ATOM 2304 HD23 LEU X 134 25.467 37.119 14.289 0.00 0.00 +ATOM 2305 C LEU X 134 22.717 35.306 16.839 0.00 0.00 +ATOM 2306 O LEU X 134 22.001 35.088 17.839 0.00 0.00 +ATOM 2307 N ASP X 135 22.987 34.315 15.928 0.00 0.00 +ATOM 2308 H ASP X 135 23.661 34.409 15.181 0.00 0.00 +ATOM 2309 CA ASP X 135 22.311 33.033 16.143 0.00 0.00 +ATOM 2310 HA ASP X 135 21.288 33.089 16.515 0.00 0.00 +ATOM 2311 CB ASP X 135 22.191 32.297 14.818 0.00 0.00 +ATOM 2312 HB2 ASP X 135 21.730 31.349 15.096 0.00 0.00 +ATOM 2313 HB3 ASP X 135 21.385 32.770 14.257 0.00 0.00 +ATOM 2314 CG ASP X 135 23.409 31.891 13.939 0.00 0.00 +ATOM 2315 OD1 ASP X 135 23.205 31.277 12.860 0.00 0.00 +ATOM 2316 OD2 ASP X 135 24.577 32.233 14.272 0.00 0.00 +ATOM 2317 C ASP X 135 22.887 32.021 17.209 0.00 0.00 +ATOM 2318 O ASP X 135 23.802 31.212 16.997 0.00 0.00 +ATOM 2319 N ILE X 136 22.329 31.977 18.435 0.00 0.00 +ATOM 2320 H ILE X 136 21.666 32.732 18.541 0.00 0.00 +ATOM 2321 CA ILE X 136 22.819 31.202 19.608 0.00 0.00 +ATOM 2322 HA ILE X 136 23.871 31.443 19.760 0.00 0.00 +ATOM 2323 CB ILE X 136 22.038 31.717 20.906 0.00 0.00 +ATOM 2324 HB ILE X 136 20.976 31.518 20.764 0.00 0.00 +ATOM 2325 CG2 ILE X 136 22.477 30.923 22.117 0.00 0.00 +ATOM 2326 HG21 ILE X 136 23.547 31.010 22.306 0.00 0.00 +ATOM 2327 HG22 ILE X 136 22.015 31.396 22.984 0.00 0.00 +ATOM 2328 HG23 ILE X 136 22.233 29.864 22.030 0.00 0.00 +ATOM 2329 CG1 ILE X 136 22.174 33.280 21.104 0.00 0.00 +ATOM 2330 HG12 ILE X 136 21.682 33.648 20.204 0.00 0.00 +ATOM 2331 HG13 ILE X 136 21.645 33.546 22.018 0.00 0.00 +ATOM 2332 CD1 ILE X 136 23.632 33.834 21.071 0.00 0.00 +ATOM 2333 HD11 ILE X 136 24.168 33.531 20.171 0.00 0.00 +ATOM 2334 HD12 ILE X 136 23.677 34.909 20.897 0.00 0.00 +ATOM 2335 HD13 ILE X 136 24.200 33.629 21.978 0.00 0.00 +ATOM 2336 C ILE X 136 22.768 29.697 19.417 0.00 0.00 +ATOM 2337 O ILE X 136 21.855 29.164 18.797 0.00 0.00 +ATOM 2338 N ASP X 137 23.748 28.949 19.821 0.00 0.00 +ATOM 2339 H ASP X 137 24.607 29.380 20.129 0.00 0.00 +ATOM 2340 CA ASP X 137 23.717 27.410 19.782 0.00 0.00 +ATOM 2341 HA ASP X 137 23.800 27.060 18.753 0.00 0.00 +ATOM 2342 CB ASP X 137 24.945 26.924 20.628 0.00 0.00 +ATOM 2343 HB2 ASP X 137 25.871 27.201 20.125 0.00 0.00 +ATOM 2344 HB3 ASP X 137 24.974 27.428 21.594 0.00 0.00 +ATOM 2345 CG ASP X 137 25.088 25.426 20.966 0.00 0.00 +ATOM 2346 OD1 ASP X 137 26.149 24.869 21.306 0.00 0.00 +ATOM 2347 OD2 ASP X 137 24.087 24.663 20.918 0.00 0.00 +ATOM 2348 C ASP X 137 22.388 26.937 20.382 0.00 0.00 +ATOM 2349 O ASP X 137 22.164 27.239 21.536 0.00 0.00 +ATOM 2350 N PRO X 138 21.500 26.132 19.759 0.00 0.00 +ATOM 2351 CD PRO X 138 21.552 25.608 18.422 0.00 0.00 +ATOM 2352 HD2 PRO X 138 22.548 25.175 18.338 0.00 0.00 +ATOM 2353 HD3 PRO X 138 21.492 26.354 17.629 0.00 0.00 +ATOM 2354 CG PRO X 138 20.452 24.533 18.355 0.00 0.00 +ATOM 2355 HG2 PRO X 138 20.911 23.571 18.585 0.00 0.00 +ATOM 2356 HG3 PRO X 138 20.009 24.356 17.375 0.00 0.00 +ATOM 2357 CB PRO X 138 19.454 25.024 19.335 0.00 0.00 +ATOM 2358 HB2 PRO X 138 18.948 24.181 19.805 0.00 0.00 +ATOM 2359 HB3 PRO X 138 18.715 25.623 18.802 0.00 0.00 +ATOM 2360 CA PRO X 138 20.190 25.865 20.321 0.00 0.00 +ATOM 2361 HA PRO X 138 19.639 26.806 20.320 0.00 0.00 +ATOM 2362 C PRO X 138 20.242 25.188 21.693 0.00 0.00 +ATOM 2363 O PRO X 138 19.377 25.444 22.521 0.00 0.00 +ATOM 2364 N LYS X 139 21.304 24.443 22.100 0.00 0.00 +ATOM 2365 H LYS X 139 22.028 24.339 21.404 0.00 0.00 +ATOM 2366 CA LYS X 139 21.422 23.995 23.505 0.00 0.00 +ATOM 2367 HA LYS X 139 20.504 23.463 23.755 0.00 0.00 +ATOM 2368 CB LYS X 139 22.566 23.016 23.448 0.00 0.00 +ATOM 2369 HB2 LYS X 139 22.247 22.269 22.721 0.00 0.00 +ATOM 2370 HB3 LYS X 139 23.442 23.431 22.950 0.00 0.00 +ATOM 2371 CG LYS X 139 23.028 22.283 24.723 0.00 0.00 +ATOM 2372 HG2 LYS X 139 23.598 22.941 25.378 0.00 0.00 +ATOM 2373 HG3 LYS X 139 22.112 21.909 25.180 0.00 0.00 +ATOM 2374 CD LYS X 139 23.926 21.110 24.408 0.00 0.00 +ATOM 2375 HD2 LYS X 139 23.395 20.387 23.789 0.00 0.00 +ATOM 2376 HD3 LYS X 139 24.809 21.530 23.926 0.00 0.00 +ATOM 2377 CE LYS X 139 24.298 20.495 25.704 0.00 0.00 +ATOM 2378 HE2 LYS X 139 24.795 21.139 26.430 0.00 0.00 +ATOM 2379 HE3 LYS X 139 23.360 20.034 26.012 0.00 0.00 +ATOM 2380 NZ LYS X 139 25.305 19.377 25.503 0.00 0.00 +ATOM 2381 HZ1 LYS X 139 25.317 18.795 26.328 0.00 0.00 +ATOM 2382 HZ2 LYS X 139 25.153 18.808 24.683 0.00 0.00 +ATOM 2383 HZ3 LYS X 139 26.256 19.712 25.437 0.00 0.00 +ATOM 2384 C LYS X 139 21.623 25.094 24.517 0.00 0.00 +ATOM 2385 O LYS X 139 21.147 25.042 25.642 0.00 0.00 +ATOM 2386 N LEU X 140 22.494 26.043 24.149 0.00 0.00 +ATOM 2387 H LEU X 140 22.901 25.940 23.230 0.00 0.00 +ATOM 2388 CA LEU X 140 22.870 27.302 24.915 0.00 0.00 +ATOM 2389 HA LEU X 140 23.172 27.009 25.921 0.00 0.00 +ATOM 2390 CB LEU X 140 23.974 27.962 24.149 0.00 0.00 +ATOM 2391 HB2 LEU X 140 24.891 27.381 24.055 0.00 0.00 +ATOM 2392 HB3 LEU X 140 23.629 28.215 23.146 0.00 0.00 +ATOM 2393 CG LEU X 140 24.539 29.175 24.892 0.00 0.00 +ATOM 2394 HG LEU X 140 23.806 29.982 24.879 0.00 0.00 +ATOM 2395 CD1 LEU X 140 24.773 28.943 26.423 0.00 0.00 +ATOM 2396 HD11 LEU X 140 25.172 29.886 26.797 0.00 0.00 +ATOM 2397 HD12 LEU X 140 23.950 28.610 27.055 0.00 0.00 +ATOM 2398 HD13 LEU X 140 25.496 28.146 26.594 0.00 0.00 +ATOM 2399 CD2 LEU X 140 25.739 29.754 24.203 0.00 0.00 +ATOM 2400 HD21 LEU X 140 25.776 30.809 24.474 0.00 0.00 +ATOM 2401 HD22 LEU X 140 26.586 29.133 24.495 0.00 0.00 +ATOM 2402 HD23 LEU X 140 25.626 29.795 23.120 0.00 0.00 +ATOM 2403 C LEU X 140 21.641 28.175 25.150 0.00 0.00 +ATOM 2404 O LEU X 140 21.341 28.584 26.250 0.00 0.00 +ATOM 2405 N GLN X 141 20.917 28.414 24.075 0.00 0.00 +ATOM 2406 H GLN X 141 21.242 28.167 23.151 0.00 0.00 +ATOM 2407 CA GLN X 141 19.650 29.221 24.112 0.00 0.00 +ATOM 2408 HA GLN X 141 19.867 30.257 24.372 0.00 0.00 +ATOM 2409 CB GLN X 141 19.072 29.249 22.663 0.00 0.00 +ATOM 2410 HB2 GLN X 141 19.697 29.856 22.009 0.00 0.00 +ATOM 2411 HB3 GLN X 141 19.043 28.221 22.302 0.00 0.00 +ATOM 2412 CG GLN X 141 17.542 29.732 22.651 0.00 0.00 +ATOM 2413 HG2 GLN X 141 17.125 29.459 21.682 0.00 0.00 +ATOM 2414 HG3 GLN X 141 17.046 29.382 23.556 0.00 0.00 +ATOM 2415 CD GLN X 141 17.394 31.251 22.779 0.00 0.00 +ATOM 2416 OE1 GLN X 141 18.256 31.972 23.293 0.00 0.00 +ATOM 2417 NE2 GLN X 141 16.319 31.806 22.298 0.00 0.00 +ATOM 2418 HE21 GLN X 141 15.595 31.250 21.866 0.00 0.00 +ATOM 2419 HE22 GLN X 141 16.387 32.813 22.336 0.00 0.00 +ATOM 2420 C GLN X 141 18.644 28.729 25.174 0.00 0.00 +ATOM 2421 O GLN X 141 18.077 29.490 25.970 0.00 0.00 +ATOM 2422 N GLU X 142 18.442 27.391 25.268 0.00 0.00 +ATOM 2423 H GLU X 142 19.026 26.761 24.737 0.00 0.00 +ATOM 2424 CA GLU X 142 17.472 26.767 26.170 0.00 0.00 +ATOM 2425 HA GLU X 142 16.587 27.396 26.068 0.00 0.00 +ATOM 2426 CB GLU X 142 17.110 25.338 25.736 0.00 0.00 +ATOM 2427 HB2 GLU X 142 17.044 25.238 24.653 0.00 0.00 +ATOM 2428 HB3 GLU X 142 17.951 24.652 25.843 0.00 0.00 +ATOM 2429 CG GLU X 142 15.849 24.765 26.459 0.00 0.00 +ATOM 2430 HG2 GLU X 142 15.699 23.712 26.222 0.00 0.00 +ATOM 2431 HG3 GLU X 142 15.905 24.905 27.538 0.00 0.00 +ATOM 2432 CD GLU X 142 14.623 25.456 25.912 0.00 0.00 +ATOM 2433 OE1 GLU X 142 13.931 26.117 26.637 0.00 0.00 +ATOM 2434 OE2 GLU X 142 14.231 25.226 24.759 0.00 0.00 +ATOM 2435 C GLU X 142 17.908 26.818 27.624 0.00 0.00 +ATOM 2436 O GLU X 142 17.209 27.255 28.496 0.00 0.00 +ATOM 2437 N TYR X 143 19.177 26.459 27.911 0.00 0.00 +ATOM 2438 H TYR X 143 19.639 26.109 27.084 0.00 0.00 +ATOM 2439 CA TYR X 143 19.896 26.584 29.195 0.00 0.00 +ATOM 2440 HA TYR X 143 19.299 26.065 29.945 0.00 0.00 +ATOM 2441 CB TYR X 143 21.289 26.095 28.981 0.00 0.00 +ATOM 2442 HB2 TYR X 143 21.696 26.660 28.143 0.00 0.00 +ATOM 2443 HB3 TYR X 143 21.942 26.333 29.821 0.00 0.00 +ATOM 2444 CG TYR X 143 21.470 24.588 28.797 0.00 0.00 +ATOM 2445 CD1 TYR X 143 20.454 23.643 29.064 0.00 0.00 +ATOM 2446 HD1 TYR X 143 19.447 23.952 29.303 0.00 0.00 +ATOM 2447 CE1 TYR X 143 20.812 22.241 29.064 0.00 0.00 +ATOM 2448 HE1 TYR X 143 19.997 21.579 29.317 0.00 0.00 +ATOM 2449 CZ TYR X 143 22.051 21.844 28.568 0.00 0.00 +ATOM 2450 OH TYR X 143 22.396 20.539 28.407 0.00 0.00 +ATOM 2451 HH TYR X 143 21.611 19.999 28.523 0.00 0.00 +ATOM 2452 CE2 TYR X 143 22.975 22.791 28.131 0.00 0.00 +ATOM 2453 HE2 TYR X 143 23.909 22.397 27.757 0.00 0.00 +ATOM 2454 CD2 TYR X 143 22.718 24.159 28.320 0.00 0.00 +ATOM 2455 HD2 TYR X 143 23.471 24.908 28.126 0.00 0.00 +ATOM 2456 C TYR X 143 19.964 28.074 29.577 0.00 0.00 +ATOM 2457 O TYR X 143 19.937 28.308 30.811 0.00 0.00 +ATOM 2458 N LEU X 144 20.004 29.055 28.634 0.00 0.00 +ATOM 2459 H LEU X 144 19.923 28.802 27.660 0.00 0.00 +ATOM 2460 CA LEU X 144 19.996 30.478 28.974 0.00 0.00 +ATOM 2461 HA LEU X 144 20.702 30.720 29.769 0.00 0.00 +ATOM 2462 CB LEU X 144 20.259 31.335 27.710 0.00 0.00 +ATOM 2463 HB2 LEU X 144 21.222 31.011 27.317 0.00 0.00 +ATOM 2464 HB3 LEU X 144 19.499 31.039 26.988 0.00 0.00 +ATOM 2465 CG LEU X 144 20.164 32.877 27.925 0.00 0.00 +ATOM 2466 HG LEU X 144 19.087 33.042 27.880 0.00 0.00 +ATOM 2467 CD1 LEU X 144 20.847 33.430 29.176 0.00 0.00 +ATOM 2468 HD11 LEU X 144 20.305 33.076 30.053 0.00 0.00 +ATOM 2469 HD12 LEU X 144 21.874 33.102 29.333 0.00 0.00 +ATOM 2470 HD13 LEU X 144 20.804 34.513 29.055 0.00 0.00 +ATOM 2471 CD2 LEU X 144 20.790 33.630 26.754 0.00 0.00 +ATOM 2472 HD21 LEU X 144 20.551 34.693 26.723 0.00 0.00 +ATOM 2473 HD22 LEU X 144 21.871 33.501 26.698 0.00 0.00 +ATOM 2474 HD23 LEU X 144 20.245 33.309 25.867 0.00 0.00 +ATOM 2475 C LEU X 144 18.668 30.856 29.657 0.00 0.00 +ATOM 2476 O LEU X 144 18.693 31.515 30.731 0.00 0.00 +ATOM 2477 N GLY X 145 17.532 30.447 29.132 0.00 0.00 +ATOM 2478 H GLY X 145 17.542 30.074 28.194 0.00 0.00 +ATOM 2479 CA GLY X 145 16.206 30.586 29.720 0.00 0.00 +ATOM 2480 HA2 GLY X 145 16.244 31.671 29.815 0.00 0.00 +ATOM 2481 HA3 GLY X 145 15.412 30.301 29.030 0.00 0.00 +ATOM 2482 C GLY X 145 16.139 29.904 31.074 0.00 0.00 +ATOM 2483 O GLY X 145 15.637 30.550 31.996 0.00 0.00 +ATOM 2484 N LYS X 146 16.544 28.646 31.180 0.00 0.00 +ATOM 2485 H LYS X 146 16.836 28.305 30.276 0.00 0.00 +ATOM 2486 CA LYS X 146 16.521 27.820 32.463 0.00 0.00 +ATOM 2487 HA LYS X 146 15.496 27.836 32.832 0.00 0.00 +ATOM 2488 CB LYS X 146 16.950 26.429 32.280 0.00 0.00 +ATOM 2489 HB2 LYS X 146 17.877 26.456 31.707 0.00 0.00 +ATOM 2490 HB3 LYS X 146 17.030 26.098 33.315 0.00 0.00 +ATOM 2491 CG LYS X 146 15.954 25.561 31.540 0.00 0.00 +ATOM 2492 HG2 LYS X 146 15.134 25.557 32.259 0.00 0.00 +ATOM 2493 HG3 LYS X 146 15.666 26.063 30.617 0.00 0.00 +ATOM 2494 CD LYS X 146 16.584 24.150 31.257 0.00 0.00 +ATOM 2495 HD2 LYS X 146 17.534 24.384 30.777 0.00 0.00 +ATOM 2496 HD3 LYS X 146 16.898 23.597 32.143 0.00 0.00 +ATOM 2497 CE LYS X 146 15.750 23.161 30.432 0.00 0.00 +ATOM 2498 HE2 LYS X 146 15.185 23.763 29.719 0.00 0.00 +ATOM 2499 HE3 LYS X 146 16.317 22.465 29.814 0.00 0.00 +ATOM 2500 NZ LYS X 146 14.888 22.408 31.329 0.00 0.00 +ATOM 2501 HZ1 LYS X 146 14.281 21.857 30.738 0.00 0.00 +ATOM 2502 HZ2 LYS X 146 15.382 21.869 32.025 0.00 0.00 +ATOM 2503 HZ3 LYS X 146 14.263 23.052 31.792 0.00 0.00 +ATOM 2504 C LYS X 146 17.422 28.525 33.551 0.00 0.00 +ATOM 2505 O LYS X 146 17.006 28.586 34.702 0.00 0.00 +ATOM 2506 N PHE X 147 18.567 29.180 33.179 0.00 0.00 +ATOM 2507 H PHE X 147 18.892 28.899 32.265 0.00 0.00 +ATOM 2508 CA PHE X 147 19.320 30.121 34.001 0.00 0.00 +ATOM 2509 HA PHE X 147 19.417 29.545 34.921 0.00 0.00 +ATOM 2510 CB PHE X 147 20.740 30.300 33.340 0.00 0.00 +ATOM 2511 HB2 PHE X 147 21.205 29.340 33.116 0.00 0.00 +ATOM 2512 HB3 PHE X 147 20.637 30.931 32.457 0.00 0.00 +ATOM 2513 CG PHE X 147 21.662 31.115 34.285 0.00 0.00 +ATOM 2514 CD1 PHE X 147 22.679 30.532 35.029 0.00 0.00 +ATOM 2515 HD1 PHE X 147 22.785 29.460 34.957 0.00 0.00 +ATOM 2516 CE1 PHE X 147 23.540 31.289 35.844 0.00 0.00 +ATOM 2517 HE1 PHE X 147 24.370 30.803 36.334 0.00 0.00 +ATOM 2518 CZ PHE X 147 23.481 32.673 35.787 0.00 0.00 +ATOM 2519 HZ PHE X 147 24.168 33.198 36.434 0.00 0.00 +ATOM 2520 CE2 PHE X 147 22.496 33.274 34.944 0.00 0.00 +ATOM 2521 HE2 PHE X 147 22.327 34.339 34.999 0.00 0.00 +ATOM 2522 CD2 PHE X 147 21.526 32.471 34.223 0.00 0.00 +ATOM 2523 HD2 PHE X 147 20.849 33.002 33.571 0.00 0.00 +ATOM 2524 C PHE X 147 18.644 31.395 34.394 0.00 0.00 +ATOM 2525 O PHE X 147 18.796 31.744 35.564 0.00 0.00 +ATOM 2526 N ARG X 148 17.860 32.020 33.527 0.00 0.00 +ATOM 2527 H ARG X 148 17.843 31.729 32.560 0.00 0.00 +ATOM 2528 CA ARG X 148 17.090 33.264 33.789 0.00 0.00 +ATOM 2529 HA ARG X 148 17.695 34.071 34.203 0.00 0.00 +ATOM 2530 CB ARG X 148 16.617 33.897 32.466 0.00 0.00 +ATOM 2531 HB2 ARG X 148 16.288 33.110 31.787 0.00 0.00 +ATOM 2532 HB3 ARG X 148 15.845 34.638 32.673 0.00 0.00 +ATOM 2533 CG ARG X 148 17.675 34.695 31.634 0.00 0.00 +ATOM 2534 HG2 ARG X 148 17.953 35.595 32.183 0.00 0.00 +ATOM 2535 HG3 ARG X 148 18.545 34.055 31.491 0.00 0.00 +ATOM 2536 CD ARG X 148 17.147 35.050 30.278 0.00 0.00 +ATOM 2537 HD2 ARG X 148 17.920 35.441 29.616 0.00 0.00 +ATOM 2538 HD3 ARG X 148 16.720 34.103 29.949 0.00 0.00 +ATOM 2539 NE ARG X 148 16.062 36.099 30.377 0.00 0.00 +ATOM 2540 HE ARG X 148 15.705 36.355 31.286 0.00 0.00 +ATOM 2541 CZ ARG X 148 15.512 36.740 29.406 0.00 0.00 +ATOM 2542 NH1 ARG X 148 15.952 36.637 28.185 0.00 0.00 +ATOM 2543 HH11 ARG X 148 16.496 35.826 27.928 0.00 0.00 +ATOM 2544 HH12 ARG X 148 15.640 37.255 27.449 0.00 0.00 +ATOM 2545 NH2 ARG X 148 14.601 37.593 29.667 0.00 0.00 +ATOM 2546 HH21 ARG X 148 14.254 37.570 30.616 0.00 0.00 +ATOM 2547 HH22 ARG X 148 14.225 38.101 28.879 0.00 0.00 +ATOM 2548 C ARG X 148 15.875 32.987 34.717 0.00 0.00 +ATOM 2549 O ARG X 148 15.593 33.914 35.536 0.00 0.00 +ATOM 2550 N ARG X 149 15.309 31.803 34.662 0.00 0.00 +ATOM 2551 H ARG X 149 15.524 31.218 33.867 0.00 0.00 +ATOM 2552 CA ARG X 149 14.435 31.245 35.645 0.00 0.00 +ATOM 2553 HA ARG X 149 13.766 32.084 35.838 0.00 0.00 +ATOM 2554 CB ARG X 149 13.534 30.209 34.980 0.00 0.00 +ATOM 2555 HB2 ARG X 149 13.294 30.668 34.022 0.00 0.00 +ATOM 2556 HB3 ARG X 149 14.018 29.256 34.767 0.00 0.00 +ATOM 2557 CG ARG X 149 12.259 30.065 35.709 0.00 0.00 +ATOM 2558 HG2 ARG X 149 12.419 29.648 36.704 0.00 0.00 +ATOM 2559 HG3 ARG X 149 11.838 31.070 35.717 0.00 0.00 +ATOM 2560 CD ARG X 149 11.399 29.054 34.854 0.00 0.00 +ATOM 2561 HD2 ARG X 149 11.410 29.345 33.804 0.00 0.00 +ATOM 2562 HD3 ARG X 149 11.872 28.072 34.835 0.00 0.00 +ATOM 2563 NE ARG X 149 10.014 28.869 35.343 0.00 0.00 +ATOM 2564 HE ARG X 149 9.335 29.576 35.101 0.00 0.00 +ATOM 2565 CZ ARG X 149 9.617 27.964 36.224 0.00 0.00 +ATOM 2566 NH1 ARG X 149 10.402 27.117 36.818 0.00 0.00 +ATOM 2567 HH11 ARG X 149 11.406 27.127 36.704 0.00 0.00 +ATOM 2568 HH12 ARG X 149 10.071 26.383 37.428 0.00 0.00 +ATOM 2569 NH2 ARG X 149 8.358 27.955 36.555 0.00 0.00 +ATOM 2570 HH21 ARG X 149 7.713 28.570 36.080 0.00 0.00 +ATOM 2571 HH22 ARG X 149 7.970 27.208 37.112 0.00 0.00 +ATOM 2572 C ARG X 149 15.072 30.757 36.990 0.00 0.00 +ATOM 2573 O ARG X 149 14.404 30.916 38.036 0.00 0.00 +ATOM 2574 N LEU X 150 16.304 30.250 36.954 0.00 0.00 +ATOM 2575 H LEU X 150 16.646 30.011 36.034 0.00 0.00 +ATOM 2576 CA LEU X 150 17.130 30.144 38.200 0.00 0.00 +ATOM 2577 HA LEU X 150 16.601 29.497 38.900 0.00 0.00 +ATOM 2578 CB LEU X 150 18.429 29.366 37.817 0.00 0.00 +ATOM 2579 HB2 LEU X 150 18.166 28.355 37.507 0.00 0.00 +ATOM 2580 HB3 LEU X 150 18.987 29.979 37.110 0.00 0.00 +ATOM 2581 CG LEU X 150 19.524 29.075 38.991 0.00 0.00 +ATOM 2582 HG LEU X 150 19.758 30.030 39.461 0.00 0.00 +ATOM 2583 CD1 LEU X 150 18.935 28.160 40.057 0.00 0.00 +ATOM 2584 HD11 LEU X 150 18.166 28.756 40.549 0.00 0.00 +ATOM 2585 HD12 LEU X 150 18.501 27.246 39.653 0.00 0.00 +ATOM 2586 HD13 LEU X 150 19.629 27.762 40.797 0.00 0.00 +ATOM 2587 CD2 LEU X 150 20.858 28.543 38.408 0.00 0.00 +ATOM 2588 HD21 LEU X 150 21.465 28.210 39.250 0.00 0.00 +ATOM 2589 HD22 LEU X 150 20.655 27.618 37.867 0.00 0.00 +ATOM 2590 HD23 LEU X 150 21.367 29.307 37.821 0.00 0.00 +ATOM 2591 C LEU X 150 17.416 31.514 38.869 0.00 0.00 +ATOM 2592 O LEU X 150 17.487 31.652 40.064 0.00 0.00 +ATOM 2593 N GLU X 151 17.479 32.534 38.005 0.00 0.00 +ATOM 2594 H GLU X 151 17.682 32.350 37.033 0.00 0.00 +ATOM 2595 CA GLU X 151 17.723 33.917 38.455 0.00 0.00 +ATOM 2596 HA GLU X 151 18.406 33.862 39.302 0.00 0.00 +ATOM 2597 CB GLU X 151 18.305 34.642 37.188 0.00 0.00 +ATOM 2598 HB2 GLU X 151 19.070 34.041 36.697 0.00 0.00 +ATOM 2599 HB3 GLU X 151 17.560 34.999 36.477 0.00 0.00 +ATOM 2600 CG GLU X 151 19.180 35.824 37.727 0.00 0.00 +ATOM 2601 HG2 GLU X 151 19.750 36.317 36.939 0.00 0.00 +ATOM 2602 HG3 GLU X 151 18.501 36.547 38.179 0.00 0.00 +ATOM 2603 CD GLU X 151 20.240 35.281 38.628 0.00 0.00 +ATOM 2604 OE1 GLU X 151 21.333 34.738 38.234 0.00 0.00 +ATOM 2605 OE2 GLU X 151 20.128 35.311 39.884 0.00 0.00 +ATOM 2606 C GLU X 151 16.459 34.660 38.971 0.00 0.00 +ATOM 2607 O GLU X 151 16.501 35.368 39.981 0.00 0.00 +ATOM 2608 N ASP X 152 15.325 34.297 38.324 0.00 0.00 +ATOM 2609 H ASP X 152 15.398 33.596 37.600 0.00 0.00 +ATOM 2610 CA ASP X 152 13.963 34.712 38.722 0.00 0.00 +ATOM 2611 HA ASP X 152 13.216 34.372 38.004 0.00 0.00 +ATOM 2612 CB ASP X 152 13.664 34.130 40.128 0.00 0.00 +ATOM 2613 HB2 ASP X 152 14.066 33.118 40.083 0.00 0.00 +ATOM 2614 HB3 ASP X 152 14.232 34.694 40.868 0.00 0.00 +ATOM 2615 CG ASP X 152 12.219 33.977 40.534 0.00 0.00 +ATOM 2616 OD1 ASP X 152 11.352 34.171 39.699 0.00 0.00 +ATOM 2617 OD2 ASP X 152 11.981 33.471 41.665 0.00 0.00 +ATOM 2618 C ASP X 152 13.673 36.282 38.720 0.00 0.00 +ATOM 2619 O ASP X 152 13.122 36.828 39.689 0.00 0.00 +ATOM 2620 N NME X 153 14.061 37.054 37.660 0.00 0.00 +ATOM 2621 H NME X 153 14.748 36.627 37.054 0.00 0.00 +ATOM 2622 CH3 NME X 153 13.971 38.544 37.837 0.00 0.00 +ATOM 2623 HH31 NME X 153 14.980 38.957 37.852 0.00 0.00 +ATOM 2624 HH32 NME X 153 13.403 38.857 36.961 0.00 0.00 +ATOM 2625 HH33 NME X 153 13.392 38.775 38.732 0.00 0.00 +ATOM 2626 Cl- Cl- X 154 47.037 60.123 47.196 0.00 0.00 +ATOM 2627 Cl- Cl- X 155 57.435 19.062 32.902 0.00 0.00 +ATOM 2628 Cl- Cl- X 156 56.419 15.679 50.533 0.00 0.00 +ATOM 2629 Cl- Cl- X 157 64.575 51.710 3.356 0.00 0.00 +ATOM 2630 Cl- Cl- X 158 58.961 61.063 23.748 0.00 0.00 +ATOM 2631 Na+ Na+ X 159 22.503 34.447 40.597 0.00 0.00 +ATOM 2632 Na+ Na+ X 160 28.778 18.280 18.774 0.00 0.00 +ATOM 2633 Na+ Na+ X 161 51.303 59.912 36.505 0.00 0.00 +ATOM 2634 Na+ Na+ X 162 10.798 36.292 44.419 0.00 0.00 +ATOM 2635 Na+ Na+ X 163 35.689 26.928 19.727 0.00 0.00 +ATOM 2636 Na+ Na+ X 164 51.142 19.508 53.803 0.00 0.00 +ATOM 2637 Na+ Na+ X 165 19.593 18.234 23.274 0.00 0.00 +ATOM 2638 Na+ Na+ X 166 11.997 37.005 11.262 0.00 0.00 +ATOM 2639 Na+ Na+ X 167 61.907 43.795 31.188 0.00 0.00 +ATOM 2640 Na+ Na+ X 168 35.430 50.414 30.530 0.00 0.00 +ATOM 2641 Na+ Na+ X 169 53.210 31.229 47.346 0.00 0.00 +ATOM 2642 Na+ Na+ X 170 12.981 27.435 9.583 0.00 0.00 +ATOM 2643 Na+ Na+ X 171 35.894 33.750 42.377 0.00 0.00 +ATOM 2644 Na+ Na+ X 172 49.796 48.660 22.895 0.00 0.00 +ATOM 2645 Na+ Na+ X 173 39.409 6.821 8.416 0.00 0.00 +ATOM 2646 Na+ Na+ X 174 62.231 41.872 46.280 0.00 0.00 +ATOM 2647 Na+ Na+ X 175 37.809 1.612 25.701 0.00 0.00 +ATOM 2648 Cl- Cl- X 176 33.128 31.371 4.134 0.00 0.00 +ATOM 2649 Cl- Cl- X 177 42.331 2.160 11.001 0.00 0.00 +ATOM 2650 Cl- Cl- X 178 66.301 35.762 50.909 0.00 0.00 +ATOM 2651 Cl- Cl- X 179 23.181 9.745 40.688 0.00 0.00 +ATOM 2652 Cl- Cl- X 180 19.729 46.439 5.084 0.00 0.00 +ATOM 2653 Cl- Cl- X 181 32.950 11.043 17.378 0.00 0.00 +ATOM 2654 Cl- Cl- X 182 65.494 46.616 36.786 0.00 0.00 +ATOM 2655 Cl- Cl- X 183 4.690 7.996 48.820 0.00 0.00 +ATOM 2656 Cl- Cl- X 184 54.767 36.356 54.019 0.00 0.00 +ATOM 2657 Cl- Cl- X 185 29.145 56.623 23.924 0.00 0.00 +ATOM 2658 Cl- Cl- X 186 53.892 38.140 14.565 0.00 0.00 +ATOM 2659 Cl- Cl- X 187 64.082 29.773 52.655 0.00 0.00 +ATOM 2660 Cl- Cl- X 188 32.056 48.953 11.234 0.00 0.00 +ATOM 2661 Cl- Cl- X 189 41.737 45.491 30.522 0.00 0.00 +ATOM 2662 Cl- Cl- X 190 0.435 43.514 31.976 0.00 0.00 +ATOM 2663 Cl- Cl- X 191 12.561 23.641 33.270 0.00 0.00 +ATOM 2664 Cl- Cl- X 192 71.298 26.668 15.309 0.00 0.00 +ATOM 2665 O WAT X 193 32.423 11.797 42.288 0.00 0.00 +ATOM 2666 H1 WAT X 193 32.698 12.130 41.433 0.00 0.00 +ATOM 2667 H2 WAT X 193 31.771 12.429 42.592 0.00 0.00 +ATOM 2668 O WAT X 194 64.512 54.935 34.669 0.00 0.00 +ATOM 2669 H1 WAT X 194 64.804 55.386 35.461 0.00 0.00 +ATOM 2670 H2 WAT X 194 63.558 55.009 34.688 0.00 0.00 +ATOM 2671 O WAT X 195 44.969 28.235 55.772 0.00 0.00 +ATOM 2672 H1 WAT X 195 45.764 28.216 56.304 0.00 0.00 +ATOM 2673 H2 WAT X 195 44.654 27.331 55.779 0.00 0.00 +ATOM 2674 O WAT X 196 55.899 15.039 7.344 0.00 0.00 +ATOM 2675 H1 WAT X 196 55.823 14.136 7.035 0.00 0.00 +ATOM 2676 H2 WAT X 196 56.840 15.215 7.339 0.00 0.00 +ATOM 2677 O WAT X 197 6.035 46.973 17.531 0.00 0.00 +ATOM 2678 H1 WAT X 197 6.756 46.358 17.666 0.00 0.00 +ATOM 2679 H2 WAT X 197 5.940 47.419 18.373 0.00 0.00 +ATOM 2680 O WAT X 198 46.165 43.906 2.296 0.00 0.00 +ATOM 2681 H1 WAT X 198 46.696 43.204 1.919 0.00 0.00 +ATOM 2682 H2 WAT X 198 45.264 43.669 2.077 0.00 0.00 +ATOM 2683 O WAT X 199 55.878 46.218 54.697 0.00 0.00 +ATOM 2684 H1 WAT X 199 55.099 46.764 54.806 0.00 0.00 +ATOM 2685 H2 WAT X 199 56.605 46.841 54.670 0.00 0.00 +ATOM 2686 O WAT X 200 63.800 3.887 35.664 0.00 0.00 +ATOM 2687 H1 WAT X 200 63.983 3.374 36.451 0.00 0.00 +ATOM 2688 H2 WAT X 200 64.573 4.439 35.552 0.00 0.00 +ATOM 2689 O WAT X 201 22.954 17.506 26.741 0.00 0.00 +ATOM 2690 H1 WAT X 201 22.267 17.394 27.399 0.00 0.00 +ATOM 2691 H2 WAT X 201 23.738 17.716 27.248 0.00 0.00 +ATOM 2692 O WAT X 202 0.536 27.870 19.943 0.00 0.00 +ATOM 2693 H1 WAT X 202 0.880 28.412 19.233 0.00 0.00 +ATOM 2694 H2 WAT X 202 1.189 27.945 20.639 0.00 0.00 +ATOM 2695 O WAT X 203 63.973 1.455 57.553 0.00 0.00 +ATOM 2696 H1 WAT X 203 64.571 1.485 56.806 0.00 0.00 +ATOM 2697 H2 WAT X 203 64.488 1.060 58.256 0.00 0.00 +ATOM 2698 O WAT X 204 61.680 0.673 3.733 0.00 0.00 +ATOM 2699 H1 WAT X 204 61.915 1.413 3.173 0.00 0.00 +ATOM 2700 H2 WAT X 204 60.860 0.345 3.364 0.00 0.00 +ATOM 2701 O WAT X 205 61.438 47.564 56.530 0.00 0.00 +ATOM 2702 H1 WAT X 205 61.924 48.347 56.270 0.00 0.00 +ATOM 2703 H2 WAT X 205 61.979 46.835 56.227 0.00 0.00 +ATOM 2704 O WAT X 206 33.084 20.981 37.196 0.00 0.00 +ATOM 2705 H1 WAT X 206 32.629 20.419 37.823 0.00 0.00 +ATOM 2706 H2 WAT X 206 32.415 21.210 36.550 0.00 0.00 +ATOM 2707 O WAT X 207 74.330 12.056 35.610 0.00 0.00 +ATOM 2708 H1 WAT X 207 73.477 12.490 35.577 0.00 0.00 +ATOM 2709 H2 WAT X 207 74.326 11.582 36.441 0.00 0.00 +ATOM 2710 O WAT X 208 15.873 50.520 23.255 0.00 0.00 +ATOM 2711 H1 WAT X 208 15.117 50.277 22.721 0.00 0.00 +ATOM 2712 H2 WAT X 208 15.756 51.454 23.426 0.00 0.00 +ATOM 2713 O WAT X 209 68.809 60.498 39.051 0.00 0.00 +ATOM 2714 H1 WAT X 209 69.029 59.896 39.762 0.00 0.00 +ATOM 2715 H2 WAT X 209 68.847 61.366 39.451 0.00 0.00 +ATOM 2716 O WAT X 210 75.897 37.180 29.126 0.00 0.00 +ATOM 2717 H1 WAT X 210 75.445 36.356 29.307 0.00 0.00 +ATOM 2718 H2 WAT X 210 76.724 36.916 28.723 0.00 0.00 +ATOM 2719 O WAT X 211 18.798 48.820 39.268 0.00 0.00 +ATOM 2720 H1 WAT X 211 18.371 47.966 39.190 0.00 0.00 +ATOM 2721 H2 WAT X 211 19.604 48.642 39.753 0.00 0.00 +ATOM 2722 O WAT X 212 27.242 51.704 48.434 0.00 0.00 +ATOM 2723 H1 WAT X 212 28.010 52.276 48.434 0.00 0.00 +ATOM 2724 H2 WAT X 212 27.510 50.943 48.949 0.00 0.00 +ATOM 2725 O WAT X 213 12.384 42.705 47.298 0.00 0.00 +ATOM 2726 H1 WAT X 213 12.640 42.617 46.380 0.00 0.00 +ATOM 2727 H2 WAT X 213 12.862 42.008 47.748 0.00 0.00 +ATOM 2728 O WAT X 214 5.742 21.609 15.805 0.00 0.00 +ATOM 2729 H1 WAT X 214 5.498 21.812 14.902 0.00 0.00 +ATOM 2730 H2 WAT X 214 6.535 22.123 15.960 0.00 0.00 +ATOM 2731 O WAT X 215 78.057 11.141 35.362 0.00 0.00 +ATOM 2732 H1 WAT X 215 78.102 12.064 35.110 0.00 0.00 +ATOM 2733 H2 WAT X 215 77.646 10.708 34.614 0.00 0.00 +ATOM 2734 O WAT X 216 51.538 24.680 10.260 0.00 0.00 +ATOM 2735 H1 WAT X 216 51.702 23.966 10.876 0.00 0.00 +ATOM 2736 H2 WAT X 216 52.106 24.488 9.514 0.00 0.00 +ATOM 2737 O WAT X 217 13.695 27.226 44.715 0.00 0.00 +ATOM 2738 H1 WAT X 217 12.914 27.766 44.838 0.00 0.00 +ATOM 2739 H2 WAT X 217 14.058 27.517 43.879 0.00 0.00 +ATOM 2740 O WAT X 218 27.351 5.050 27.052 0.00 0.00 +ATOM 2741 H1 WAT X 218 26.951 4.417 27.648 0.00 0.00 +ATOM 2742 H2 WAT X 218 28.278 5.052 27.292 0.00 0.00 +ATOM 2743 O WAT X 219 71.443 1.576 35.098 0.00 0.00 +ATOM 2744 H1 WAT X 219 72.174 1.140 35.535 0.00 0.00 +ATOM 2745 H2 WAT X 219 70.971 0.870 34.656 0.00 0.00 +ATOM 2746 O WAT X 220 63.728 40.285 19.315 0.00 0.00 +ATOM 2747 H1 WAT X 220 64.043 40.461 18.428 0.00 0.00 +ATOM 2748 H2 WAT X 220 64.518 40.068 19.811 0.00 0.00 +ATOM 2749 O WAT X 221 72.428 62.633 55.284 0.00 0.00 +ATOM 2750 H1 WAT X 221 73.047 61.926 55.469 0.00 0.00 +ATOM 2751 H2 WAT X 221 72.892 63.204 54.673 0.00 0.00 +ATOM 2752 O WAT X 222 70.185 35.269 22.367 0.00 0.00 +ATOM 2753 H1 WAT X 222 69.228 35.251 22.332 0.00 0.00 +ATOM 2754 H2 WAT X 222 70.394 36.123 22.745 0.00 0.00 +ATOM 2755 O WAT X 223 22.218 62.805 7.095 0.00 0.00 +ATOM 2756 H1 WAT X 223 22.122 62.240 7.861 0.00 0.00 +ATOM 2757 H2 WAT X 223 22.692 62.269 6.459 0.00 0.00 +ATOM 2758 O WAT X 224 22.036 43.257 54.233 0.00 0.00 +ATOM 2759 H1 WAT X 224 21.972 43.932 54.909 0.00 0.00 +ATOM 2760 H2 WAT X 224 21.802 42.445 54.682 0.00 0.00 +ATOM 2761 O WAT X 225 9.040 62.024 12.372 0.00 0.00 +ATOM 2762 H1 WAT X 225 9.112 62.711 13.035 0.00 0.00 +ATOM 2763 H2 WAT X 225 8.108 61.804 12.356 0.00 0.00 +ATOM 2764 O WAT X 226 48.610 54.366 24.389 0.00 0.00 +ATOM 2765 H1 WAT X 226 48.127 54.640 25.169 0.00 0.00 +ATOM 2766 H2 WAT X 226 49.187 55.104 24.194 0.00 0.00 +ATOM 2767 O WAT X 227 60.095 55.418 3.120 0.00 0.00 +ATOM 2768 H1 WAT X 227 60.959 55.007 3.150 0.00 0.00 +ATOM 2769 H2 WAT X 227 60.268 56.349 3.258 0.00 0.00 +ATOM 2770 O WAT X 228 57.527 37.818 20.093 0.00 0.00 +ATOM 2771 H1 WAT X 228 57.514 38.016 19.156 0.00 0.00 +ATOM 2772 H2 WAT X 228 56.804 38.330 20.455 0.00 0.00 +ATOM 2773 O WAT X 229 48.801 46.551 22.565 0.00 0.00 +ATOM 2774 H1 WAT X 229 48.987 45.651 22.832 0.00 0.00 +ATOM 2775 H2 WAT X 229 48.152 46.465 21.867 0.00 0.00 +ATOM 2776 O WAT X 230 17.582 54.160 0.051 0.00 0.00 +ATOM 2777 H1 WAT X 230 17.206 54.980 -0.269 0.00 0.00 +ATOM 2778 H2 WAT X 230 18.137 54.421 0.786 0.00 0.00 +ATOM 2779 O WAT X 231 22.969 21.321 57.141 0.00 0.00 +ATOM 2780 H1 WAT X 231 23.748 21.802 57.422 0.00 0.00 +ATOM 2781 H2 WAT X 231 22.932 21.458 56.194 0.00 0.00 +ATOM 2782 O WAT X 232 32.623 18.278 39.153 0.00 0.00 +ATOM 2783 H1 WAT X 232 32.414 18.902 39.849 0.00 0.00 +ATOM 2784 H2 WAT X 232 32.457 17.420 39.543 0.00 0.00 +ATOM 2785 O WAT X 233 50.510 54.068 43.519 0.00 0.00 +ATOM 2786 H1 WAT X 233 50.395 55.016 43.584 0.00 0.00 +ATOM 2787 H2 WAT X 233 50.129 53.724 44.327 0.00 0.00 +ATOM 2788 O WAT X 234 38.822 28.934 15.468 0.00 0.00 +ATOM 2789 H1 WAT X 234 38.404 29.233 16.276 0.00 0.00 +ATOM 2790 H2 WAT X 234 38.094 28.727 14.884 0.00 0.00 +ATOM 2791 O WAT X 235 24.918 12.908 44.339 0.00 0.00 +ATOM 2792 H1 WAT X 235 24.512 13.265 45.130 0.00 0.00 +ATOM 2793 H2 WAT X 235 24.305 12.238 44.038 0.00 0.00 +ATOM 2794 O WAT X 236 22.415 47.924 0.517 0.00 0.00 +ATOM 2795 H1 WAT X 236 22.399 47.049 0.905 0.00 0.00 +ATOM 2796 H2 WAT X 236 23.344 48.150 0.475 0.00 0.00 +ATOM 2797 O WAT X 237 10.888 20.913 15.469 0.00 0.00 +ATOM 2798 H1 WAT X 237 10.317 21.092 16.216 0.00 0.00 +ATOM 2799 H2 WAT X 237 11.725 20.666 15.861 0.00 0.00 +ATOM 2800 O WAT X 238 50.006 15.197 55.212 0.00 0.00 +ATOM 2801 H1 WAT X 238 50.717 15.349 55.836 0.00 0.00 +ATOM 2802 H2 WAT X 238 50.292 14.437 54.704 0.00 0.00 +ATOM 2803 O WAT X 239 76.018 54.498 32.096 0.00 0.00 +ATOM 2804 H1 WAT X 239 75.216 55.013 32.183 0.00 0.00 +ATOM 2805 H2 WAT X 239 75.793 53.809 31.471 0.00 0.00 +ATOM 2806 O WAT X 240 5.470 59.819 5.341 0.00 0.00 +ATOM 2807 H1 WAT X 240 6.242 60.252 5.706 0.00 0.00 +ATOM 2808 H2 WAT X 240 4.854 60.532 5.170 0.00 0.00 +ATOM 2809 O WAT X 241 30.377 24.838 15.990 0.00 0.00 +ATOM 2810 H1 WAT X 241 30.692 23.961 15.773 0.00 0.00 +ATOM 2811 H2 WAT X 241 29.444 24.817 15.778 0.00 0.00 +ATOM 2812 O WAT X 242 71.022 27.630 41.947 0.00 0.00 +ATOM 2813 H1 WAT X 242 71.838 27.236 42.255 0.00 0.00 +ATOM 2814 H2 WAT X 242 71.201 28.570 41.930 0.00 0.00 +ATOM 2815 O WAT X 243 42.919 2.759 15.065 0.00 0.00 +ATOM 2816 H1 WAT X 243 41.975 2.608 15.007 0.00 0.00 +ATOM 2817 H2 WAT X 243 43.088 3.465 14.442 0.00 0.00 +ATOM 2818 O WAT X 244 12.952 14.876 50.733 0.00 0.00 +ATOM 2819 H1 WAT X 244 13.061 15.588 51.364 0.00 0.00 +ATOM 2820 H2 WAT X 244 12.004 14.773 50.649 0.00 0.00 +ATOM 2821 O WAT X 245 14.763 23.673 12.159 0.00 0.00 +ATOM 2822 H1 WAT X 245 15.035 23.024 12.807 0.00 0.00 +ATOM 2823 H2 WAT X 245 15.583 24.035 11.824 0.00 0.00 +ATOM 2824 O WAT X 246 47.660 29.961 54.369 0.00 0.00 +ATOM 2825 H1 WAT X 246 48.542 30.105 54.710 0.00 0.00 +ATOM 2826 H2 WAT X 246 47.219 29.455 55.051 0.00 0.00 +ATOM 2827 O WAT X 247 0.101 54.849 51.198 0.00 0.00 +ATOM 2828 H1 WAT X 247 -0.328 55.303 50.472 0.00 0.00 +ATOM 2829 H2 WAT X 247 0.317 55.544 51.820 0.00 0.00 +ATOM 2830 O WAT X 248 26.718 44.336 48.271 0.00 0.00 +ATOM 2831 H1 WAT X 248 26.016 44.901 48.593 0.00 0.00 +ATOM 2832 H2 WAT X 248 26.806 44.566 47.346 0.00 0.00 +ATOM 2833 O WAT X 249 18.158 2.150 32.871 0.00 0.00 +ATOM 2834 H1 WAT X 249 17.339 1.655 32.906 0.00 0.00 +ATOM 2835 H2 WAT X 249 18.506 1.975 31.996 0.00 0.00 +ATOM 2836 O WAT X 250 1.502 16.546 4.759 0.00 0.00 +ATOM 2837 H1 WAT X 250 0.756 16.836 5.284 0.00 0.00 +ATOM 2838 H2 WAT X 250 1.756 15.708 5.146 0.00 0.00 +ATOM 2839 O WAT X 251 20.587 11.140 49.760 0.00 0.00 +ATOM 2840 H1 WAT X 251 20.585 10.894 50.685 0.00 0.00 +ATOM 2841 H2 WAT X 251 19.684 11.404 49.581 0.00 0.00 +ATOM 2842 O WAT X 252 26.925 15.275 46.520 0.00 0.00 +ATOM 2843 H1 WAT X 252 27.457 14.482 46.452 0.00 0.00 +ATOM 2844 H2 WAT X 252 26.076 14.967 46.838 0.00 0.00 +ATOM 2845 O WAT X 253 44.720 51.758 12.242 0.00 0.00 +ATOM 2846 H1 WAT X 253 43.788 51.950 12.340 0.00 0.00 +ATOM 2847 H2 WAT X 253 44.830 51.575 11.309 0.00 0.00 +ATOM 2848 O WAT X 254 9.454 34.314 43.929 0.00 0.00 +ATOM 2849 H1 WAT X 254 10.184 33.796 43.589 0.00 0.00 +ATOM 2850 H2 WAT X 254 9.010 33.728 44.543 0.00 0.00 +ATOM 2851 O WAT X 255 31.878 53.288 4.078 0.00 0.00 +ATOM 2852 H1 WAT X 255 31.827 53.478 3.141 0.00 0.00 +ATOM 2853 H2 WAT X 255 32.627 52.699 4.163 0.00 0.00 +ATOM 2854 O WAT X 256 8.439 54.112 45.619 0.00 0.00 +ATOM 2855 H1 WAT X 256 7.966 53.326 45.347 0.00 0.00 +ATOM 2856 H2 WAT X 256 9.292 54.038 45.191 0.00 0.00 +ATOM 2857 O WAT X 257 55.112 52.442 44.536 0.00 0.00 +ATOM 2858 H1 WAT X 257 54.747 53.139 45.080 0.00 0.00 +ATOM 2859 H2 WAT X 257 54.385 52.169 43.976 0.00 0.00 +ATOM 2860 O WAT X 258 63.994 43.018 29.704 0.00 0.00 +ATOM 2861 H1 WAT X 258 64.325 43.883 29.463 0.00 0.00 +ATOM 2862 H2 WAT X 258 64.740 42.582 30.116 0.00 0.00 +ATOM 2863 O WAT X 259 69.051 30.486 28.824 0.00 0.00 +ATOM 2864 H1 WAT X 259 69.475 30.114 28.052 0.00 0.00 +ATOM 2865 H2 WAT X 259 69.038 31.429 28.660 0.00 0.00 +ATOM 2866 O WAT X 260 74.546 7.556 54.941 0.00 0.00 +ATOM 2867 H1 WAT X 260 74.076 7.567 54.107 0.00 0.00 +ATOM 2868 H2 WAT X 260 74.812 6.643 55.054 0.00 0.00 +ATOM 2869 O WAT X 261 26.110 32.841 17.720 0.00 0.00 +ATOM 2870 H1 WAT X 261 25.303 32.393 17.464 0.00 0.00 +ATOM 2871 H2 WAT X 261 26.583 32.970 16.898 0.00 0.00 +ATOM 2872 O WAT X 262 58.108 43.527 20.245 0.00 0.00 +ATOM 2873 H1 WAT X 262 58.384 44.161 19.582 0.00 0.00 +ATOM 2874 H2 WAT X 262 57.497 44.011 20.800 0.00 0.00 +ATOM 2875 O WAT X 263 66.791 19.970 33.168 0.00 0.00 +ATOM 2876 H1 WAT X 263 66.061 20.423 33.589 0.00 0.00 +ATOM 2877 H2 WAT X 263 67.065 20.559 32.464 0.00 0.00 +ATOM 2878 O WAT X 264 13.631 10.444 30.801 0.00 0.00 +ATOM 2879 H1 WAT X 264 13.840 11.378 30.826 0.00 0.00 +ATOM 2880 H2 WAT X 264 14.316 10.060 30.254 0.00 0.00 +ATOM 2881 O WAT X 265 24.261 59.326 23.160 0.00 0.00 +ATOM 2882 H1 WAT X 265 25.190 59.220 23.365 0.00 0.00 +ATOM 2883 H2 WAT X 265 23.988 58.467 22.838 0.00 0.00 +ATOM 2884 O WAT X 266 77.605 32.003 54.287 0.00 0.00 +ATOM 2885 H1 WAT X 266 77.455 31.760 55.201 0.00 0.00 +ATOM 2886 H2 WAT X 266 78.541 31.856 54.151 0.00 0.00 +ATOM 2887 O WAT X 267 69.817 40.445 47.522 0.00 0.00 +ATOM 2888 H1 WAT X 267 70.766 40.478 47.399 0.00 0.00 +ATOM 2889 H2 WAT X 267 69.489 41.215 47.058 0.00 0.00 +ATOM 2890 O WAT X 268 10.645 43.311 6.160 0.00 0.00 +ATOM 2891 H1 WAT X 268 9.739 43.052 5.992 0.00 0.00 +ATOM 2892 H2 WAT X 268 10.786 44.070 5.595 0.00 0.00 +ATOM 2893 O WAT X 269 72.389 25.184 36.602 0.00 0.00 +ATOM 2894 H1 WAT X 269 72.928 24.462 36.926 0.00 0.00 +ATOM 2895 H2 WAT X 269 72.258 25.746 37.365 0.00 0.00 +ATOM 2896 O WAT X 270 75.716 34.153 53.166 0.00 0.00 +ATOM 2897 H1 WAT X 270 76.110 33.493 53.735 0.00 0.00 +ATOM 2898 H2 WAT X 270 76.461 34.602 52.767 0.00 0.00 +ATOM 2899 O WAT X 271 4.630 20.333 0.752 0.00 0.00 +ATOM 2900 H1 WAT X 271 4.228 19.686 0.172 0.00 0.00 +ATOM 2901 H2 WAT X 271 4.108 21.125 0.626 0.00 0.00 +ATOM 2902 O WAT X 272 66.428 51.987 0.703 0.00 0.00 +ATOM 2903 H1 WAT X 272 66.717 52.864 0.451 0.00 0.00 +ATOM 2904 H2 WAT X 272 66.131 52.083 1.608 0.00 0.00 +ATOM 2905 O WAT X 273 15.176 61.698 51.341 0.00 0.00 +ATOM 2906 H1 WAT X 273 15.436 62.508 50.902 0.00 0.00 +ATOM 2907 H2 WAT X 273 14.222 61.678 51.260 0.00 0.00 +ATOM 2908 O WAT X 274 51.984 59.878 54.703 0.00 0.00 +ATOM 2909 H1 WAT X 274 51.411 60.261 54.039 0.00 0.00 +ATOM 2910 H2 WAT X 274 52.533 59.262 54.219 0.00 0.00 +ATOM 2911 O WAT X 275 75.373 6.202 41.705 0.00 0.00 +ATOM 2912 H1 WAT X 275 75.151 5.387 42.156 0.00 0.00 +ATOM 2913 H2 WAT X 275 75.451 6.849 42.406 0.00 0.00 +ATOM 2914 O WAT X 276 32.585 51.301 15.749 0.00 0.00 +ATOM 2915 H1 WAT X 276 31.797 51.829 15.874 0.00 0.00 +ATOM 2916 H2 WAT X 276 33.184 51.598 16.435 0.00 0.00 +ATOM 2917 O WAT X 277 16.621 21.524 25.762 0.00 0.00 +ATOM 2918 H1 WAT X 277 17.448 22.005 25.765 0.00 0.00 +ATOM 2919 H2 WAT X 277 16.368 21.488 24.840 0.00 0.00 +ATOM 2920 O WAT X 278 55.751 54.446 32.067 0.00 0.00 +ATOM 2921 H1 WAT X 278 56.109 54.552 32.949 0.00 0.00 +ATOM 2922 H2 WAT X 278 56.516 54.289 31.515 0.00 0.00 +ATOM 2923 O WAT X 279 5.916 11.904 7.874 0.00 0.00 +ATOM 2924 H1 WAT X 279 5.415 11.432 7.210 0.00 0.00 +ATOM 2925 H2 WAT X 279 6.052 12.774 7.498 0.00 0.00 +ATOM 2926 O WAT X 280 59.900 3.992 14.647 0.00 0.00 +ATOM 2927 H1 WAT X 280 59.750 4.139 15.581 0.00 0.00 +ATOM 2928 H2 WAT X 280 60.560 4.642 14.406 0.00 0.00 +ATOM 2929 O WAT X 281 56.082 20.721 25.346 0.00 0.00 +ATOM 2930 H1 WAT X 281 55.142 20.541 25.316 0.00 0.00 +ATOM 2931 H2 WAT X 281 56.442 20.234 24.605 0.00 0.00 +ATOM 2932 O WAT X 282 67.174 26.071 13.277 0.00 0.00 +ATOM 2933 H1 WAT X 282 66.316 26.404 13.541 0.00 0.00 +ATOM 2934 H2 WAT X 282 67.076 25.119 13.295 0.00 0.00 +ATOM 2935 O WAT X 283 32.637 59.305 25.105 0.00 0.00 +ATOM 2936 H1 WAT X 283 31.784 59.568 25.452 0.00 0.00 +ATOM 2937 H2 WAT X 283 32.462 58.492 24.631 0.00 0.00 +ATOM 2938 O WAT X 284 75.268 13.506 19.687 0.00 0.00 +ATOM 2939 H1 WAT X 284 76.136 13.685 20.047 0.00 0.00 +ATOM 2940 H2 WAT X 284 74.796 14.334 19.775 0.00 0.00 +ATOM 2941 O WAT X 285 75.090 41.404 34.479 0.00 0.00 +ATOM 2942 H1 WAT X 285 74.805 42.182 33.999 0.00 0.00 +ATOM 2943 H2 WAT X 285 76.046 41.436 34.442 0.00 0.00 +ATOM 2944 O WAT X 286 40.721 44.137 43.993 0.00 0.00 +ATOM 2945 H1 WAT X 286 41.255 44.655 43.391 0.00 0.00 +ATOM 2946 H2 WAT X 286 40.705 43.261 43.606 0.00 0.00 +ATOM 2947 O WAT X 287 25.255 44.774 0.672 0.00 0.00 +ATOM 2948 H1 WAT X 287 24.862 45.226 1.419 0.00 0.00 +ATOM 2949 H2 WAT X 287 25.978 44.272 1.049 0.00 0.00 +ATOM 2950 O WAT X 288 14.538 21.117 57.376 0.00 0.00 +ATOM 2951 H1 WAT X 288 14.946 21.834 57.861 0.00 0.00 +ATOM 2952 H2 WAT X 288 13.657 21.049 57.744 0.00 0.00 +ATOM 2953 O WAT X 289 9.458 40.636 10.674 0.00 0.00 +ATOM 2954 H1 WAT X 289 10.036 41.020 11.333 0.00 0.00 +ATOM 2955 H2 WAT X 289 9.660 39.701 10.694 0.00 0.00 +ATOM 2956 O WAT X 290 2.209 61.224 5.832 0.00 0.00 +ATOM 2957 H1 WAT X 290 3.104 61.530 5.685 0.00 0.00 +ATOM 2958 H2 WAT X 290 1.659 61.972 5.600 0.00 0.00 +ATOM 2959 O WAT X 291 17.649 38.715 24.457 0.00 0.00 +ATOM 2960 H1 WAT X 291 18.305 38.319 23.884 0.00 0.00 +ATOM 2961 H2 WAT X 291 18.130 39.380 24.950 0.00 0.00 +ATOM 2962 O WAT X 292 50.767 3.810 1.536 0.00 0.00 +ATOM 2963 H1 WAT X 292 51.721 3.890 1.504 0.00 0.00 +ATOM 2964 H2 WAT X 292 50.564 3.750 2.470 0.00 0.00 +ATOM 2965 O WAT X 293 73.983 57.522 45.291 0.00 0.00 +ATOM 2966 H1 WAT X 293 73.211 57.287 45.805 0.00 0.00 +ATOM 2967 H2 WAT X 293 73.732 57.338 44.385 0.00 0.00 +ATOM 2968 O WAT X 294 66.040 5.252 9.851 0.00 0.00 +ATOM 2969 H1 WAT X 294 65.441 5.437 10.575 0.00 0.00 +ATOM 2970 H2 WAT X 294 66.900 5.177 10.264 0.00 0.00 +ATOM 2971 O WAT X 295 60.880 58.233 8.835 0.00 0.00 +ATOM 2972 H1 WAT X 295 61.244 58.721 8.096 0.00 0.00 +ATOM 2973 H2 WAT X 295 61.432 58.475 9.578 0.00 0.00 +ATOM 2974 O WAT X 296 28.860 19.040 16.452 0.00 0.00 +ATOM 2975 H1 WAT X 296 28.338 18.491 15.867 0.00 0.00 +ATOM 2976 H2 WAT X 296 29.541 19.410 15.889 0.00 0.00 +ATOM 2977 O WAT X 297 33.706 15.204 43.068 0.00 0.00 +ATOM 2978 H1 WAT X 297 33.505 16.110 43.301 0.00 0.00 +ATOM 2979 H2 WAT X 297 34.260 14.890 43.783 0.00 0.00 +ATOM 2980 O WAT X 298 77.085 29.192 55.776 0.00 0.00 +ATOM 2981 H1 WAT X 298 76.246 29.447 55.391 0.00 0.00 +ATOM 2982 H2 WAT X 298 76.956 28.283 56.048 0.00 0.00 +ATOM 2983 O WAT X 299 70.672 49.888 22.025 0.00 0.00 +ATOM 2984 H1 WAT X 299 71.497 49.408 21.951 0.00 0.00 +ATOM 2985 H2 WAT X 299 70.688 50.505 21.294 0.00 0.00 +ATOM 2986 O WAT X 300 35.096 53.553 15.290 0.00 0.00 +ATOM 2987 H1 WAT X 300 35.783 53.421 14.636 0.00 0.00 +ATOM 2988 H2 WAT X 300 34.293 53.268 14.854 0.00 0.00 +ATOM 2989 O WAT X 301 9.008 19.671 8.960 0.00 0.00 +ATOM 2990 H1 WAT X 301 8.338 19.034 8.712 0.00 0.00 +ATOM 2991 H2 WAT X 301 9.466 19.263 9.695 0.00 0.00 +ATOM 2992 O WAT X 302 37.170 48.050 12.609 0.00 0.00 +ATOM 2993 H1 WAT X 302 36.894 47.154 12.802 0.00 0.00 +ATOM 2994 H2 WAT X 302 36.618 48.317 11.873 0.00 0.00 +ATOM 2995 O WAT X 303 70.700 27.011 57.418 0.00 0.00 +ATOM 2996 H1 WAT X 303 70.894 26.476 58.189 0.00 0.00 +ATOM 2997 H2 WAT X 303 70.929 26.452 56.675 0.00 0.00 +ATOM 2998 O WAT X 304 0.205 42.769 41.488 0.00 0.00 +ATOM 2999 H1 WAT X 304 0.602 43.187 42.251 0.00 0.00 +ATOM 3000 H2 WAT X 304 0.871 42.154 41.179 0.00 0.00 +ATOM 3001 O WAT X 305 42.987 49.883 20.579 0.00 0.00 +ATOM 3002 H1 WAT X 305 42.549 50.674 20.893 0.00 0.00 +ATOM 3003 H2 WAT X 305 43.313 50.118 19.710 0.00 0.00 +ATOM 3004 O WAT X 306 26.094 57.720 39.893 0.00 0.00 +ATOM 3005 H1 WAT X 306 26.755 58.400 39.764 0.00 0.00 +ATOM 3006 H2 WAT X 306 26.355 57.282 40.703 0.00 0.00 +ATOM 3007 O WAT X 307 10.513 7.047 25.969 0.00 0.00 +ATOM 3008 H1 WAT X 307 10.540 6.105 26.134 0.00 0.00 +ATOM 3009 H2 WAT X 307 11.342 7.375 26.318 0.00 0.00 +ATOM 3010 O WAT X 308 6.855 37.034 40.996 0.00 0.00 +ATOM 3011 H1 WAT X 308 7.581 36.663 40.494 0.00 0.00 +ATOM 3012 H2 WAT X 308 6.272 36.292 41.159 0.00 0.00 +ATOM 3013 O WAT X 309 39.514 8.901 17.220 0.00 0.00 +ATOM 3014 H1 WAT X 309 39.955 9.390 17.915 0.00 0.00 +ATOM 3015 H2 WAT X 309 38.851 9.505 16.886 0.00 0.00 +ATOM 3016 O WAT X 310 35.599 26.552 49.691 0.00 0.00 +ATOM 3017 H1 WAT X 310 36.334 25.995 49.434 0.00 0.00 +ATOM 3018 H2 WAT X 310 35.861 26.919 50.536 0.00 0.00 +ATOM 3019 O WAT X 311 21.092 18.164 37.802 0.00 0.00 +ATOM 3020 H1 WAT X 311 21.052 19.046 37.431 0.00 0.00 +ATOM 3021 H2 WAT X 311 21.597 18.267 38.609 0.00 0.00 +ATOM 3022 O WAT X 312 3.370 6.820 29.643 0.00 0.00 +ATOM 3023 H1 WAT X 312 4.165 6.461 30.036 0.00 0.00 +ATOM 3024 H2 WAT X 312 3.547 6.823 28.702 0.00 0.00 +ATOM 3025 O WAT X 313 68.787 61.055 53.120 0.00 0.00 +ATOM 3026 H1 WAT X 313 68.584 61.070 52.185 0.00 0.00 +ATOM 3027 H2 WAT X 313 68.230 61.737 53.497 0.00 0.00 +ATOM 3028 O WAT X 314 60.211 56.026 37.071 0.00 0.00 +ATOM 3029 H1 WAT X 314 59.965 56.507 36.281 0.00 0.00 +ATOM 3030 H2 WAT X 314 59.448 55.483 37.268 0.00 0.00 +ATOM 3031 O WAT X 315 53.073 5.802 22.095 0.00 0.00 +ATOM 3032 H1 WAT X 315 53.507 5.112 21.594 0.00 0.00 +ATOM 3033 H2 WAT X 315 53.516 6.607 21.829 0.00 0.00 +ATOM 3034 O WAT X 316 19.881 3.556 18.448 0.00 0.00 +ATOM 3035 H1 WAT X 316 20.699 3.088 18.281 0.00 0.00 +ATOM 3036 H2 WAT X 316 19.506 3.118 19.212 0.00 0.00 +ATOM 3037 O WAT X 317 62.403 11.907 6.456 0.00 0.00 +ATOM 3038 H1 WAT X 317 62.318 11.160 5.863 0.00 0.00 +ATOM 3039 H2 WAT X 317 61.619 12.432 6.294 0.00 0.00 +ATOM 3040 O WAT X 318 0.968 46.166 12.448 0.00 0.00 +ATOM 3041 H1 WAT X 318 0.674 46.964 12.008 0.00 0.00 +ATOM 3042 H2 WAT X 318 1.308 46.468 13.290 0.00 0.00 +ATOM 3043 O WAT X 319 54.457 43.150 45.015 0.00 0.00 +ATOM 3044 H1 WAT X 319 54.260 43.635 45.816 0.00 0.00 +ATOM 3045 H2 WAT X 319 53.620 43.098 44.554 0.00 0.00 +ATOM 3046 O WAT X 320 37.453 60.293 24.879 0.00 0.00 +ATOM 3047 H1 WAT X 320 37.417 59.376 24.606 0.00 0.00 +ATOM 3048 H2 WAT X 320 36.563 60.618 24.745 0.00 0.00 +ATOM 3049 O WAT X 321 13.308 52.818 29.105 0.00 0.00 +ATOM 3050 H1 WAT X 321 13.752 53.130 28.317 0.00 0.00 +ATOM 3051 H2 WAT X 321 12.382 52.789 28.863 0.00 0.00 +ATOM 3052 O WAT X 322 32.464 2.003 3.496 0.00 0.00 +ATOM 3053 H1 WAT X 322 32.892 1.568 2.758 0.00 0.00 +ATOM 3054 H2 WAT X 322 33.162 2.121 4.141 0.00 0.00 +ATOM 3055 O WAT X 323 61.228 6.789 0.833 0.00 0.00 +ATOM 3056 H1 WAT X 323 60.719 7.558 1.091 0.00 0.00 +ATOM 3057 H2 WAT X 323 62.022 6.839 1.365 0.00 0.00 +ATOM 3058 O WAT X 324 10.546 15.295 14.754 0.00 0.00 +ATOM 3059 H1 WAT X 324 9.896 15.761 15.280 0.00 0.00 +ATOM 3060 H2 WAT X 324 10.397 15.605 13.860 0.00 0.00 +ATOM 3061 O WAT X 325 27.114 40.113 46.589 0.00 0.00 +ATOM 3062 H1 WAT X 325 27.246 39.265 47.013 0.00 0.00 +ATOM 3063 H2 WAT X 325 26.684 40.649 47.255 0.00 0.00 +ATOM 3064 O WAT X 326 69.009 39.233 38.751 0.00 0.00 +ATOM 3065 H1 WAT X 326 68.497 39.926 38.335 0.00 0.00 +ATOM 3066 H2 WAT X 326 69.722 39.694 39.194 0.00 0.00 +ATOM 3067 O WAT X 327 35.303 15.593 3.530 0.00 0.00 +ATOM 3068 H1 WAT X 327 35.035 16.095 2.761 0.00 0.00 +ATOM 3069 H2 WAT X 327 35.869 16.189 4.021 0.00 0.00 +ATOM 3070 O WAT X 328 39.764 18.000 51.644 0.00 0.00 +ATOM 3071 H1 WAT X 328 39.549 18.921 51.495 0.00 0.00 +ATOM 3072 H2 WAT X 328 39.211 17.742 52.382 0.00 0.00 +ATOM 3073 O WAT X 329 21.724 44.151 14.048 0.00 0.00 +ATOM 3074 H1 WAT X 329 21.412 44.831 13.451 0.00 0.00 +ATOM 3075 H2 WAT X 329 21.280 43.355 13.757 0.00 0.00 +ATOM 3076 O WAT X 330 31.440 23.826 1.414 0.00 0.00 +ATOM 3077 H1 WAT X 330 32.242 23.358 1.647 0.00 0.00 +ATOM 3078 H2 WAT X 330 30.970 23.224 0.837 0.00 0.00 +ATOM 3079 O WAT X 331 67.234 34.092 47.214 0.00 0.00 +ATOM 3080 H1 WAT X 331 67.612 34.941 46.987 0.00 0.00 +ATOM 3081 H2 WAT X 331 67.443 33.977 48.141 0.00 0.00 +ATOM 3082 O WAT X 332 1.395 3.478 38.372 0.00 0.00 +ATOM 3083 H1 WAT X 332 1.419 3.290 37.434 0.00 0.00 +ATOM 3084 H2 WAT X 332 2.071 2.913 38.747 0.00 0.00 +ATOM 3085 O WAT X 333 71.675 25.418 55.700 0.00 0.00 +ATOM 3086 H1 WAT X 333 72.489 25.444 55.197 0.00 0.00 +ATOM 3087 H2 WAT X 333 71.185 24.687 55.324 0.00 0.00 +ATOM 3088 O WAT X 334 60.212 19.250 14.202 0.00 0.00 +ATOM 3089 H1 WAT X 334 61.052 19.381 13.763 0.00 0.00 +ATOM 3090 H2 WAT X 334 59.879 20.135 14.351 0.00 0.00 +ATOM 3091 O WAT X 335 7.697 36.587 1.569 0.00 0.00 +ATOM 3092 H1 WAT X 335 7.545 37.015 0.726 0.00 0.00 +ATOM 3093 H2 WAT X 335 7.994 37.292 2.145 0.00 0.00 +ATOM 3094 O WAT X 336 10.842 48.581 27.320 0.00 0.00 +ATOM 3095 H1 WAT X 336 10.462 48.095 28.053 0.00 0.00 +ATOM 3096 H2 WAT X 336 10.124 48.671 26.694 0.00 0.00 +ATOM 3097 O WAT X 337 6.435 22.541 45.059 0.00 0.00 +ATOM 3098 H1 WAT X 337 7.054 22.956 45.660 0.00 0.00 +ATOM 3099 H2 WAT X 337 6.842 22.629 44.197 0.00 0.00 +ATOM 3100 O WAT X 338 69.221 35.781 36.903 0.00 0.00 +ATOM 3101 H1 WAT X 338 69.591 36.430 36.305 0.00 0.00 +ATOM 3102 H2 WAT X 338 69.016 36.276 37.697 0.00 0.00 +ATOM 3103 O WAT X 339 75.362 37.819 20.564 0.00 0.00 +ATOM 3104 H1 WAT X 339 74.709 37.798 21.264 0.00 0.00 +ATOM 3105 H2 WAT X 339 75.208 38.652 20.119 0.00 0.00 +ATOM 3106 O WAT X 340 63.986 38.285 37.623 0.00 0.00 +ATOM 3107 H1 WAT X 340 64.093 38.491 36.695 0.00 0.00 +ATOM 3108 H2 WAT X 340 63.341 38.918 37.937 0.00 0.00 +ATOM 3109 O WAT X 341 59.221 27.353 16.966 0.00 0.00 +ATOM 3110 H1 WAT X 341 59.725 28.153 16.818 0.00 0.00 +ATOM 3111 H2 WAT X 341 59.851 26.644 16.835 0.00 0.00 +ATOM 3112 O WAT X 342 13.698 16.646 46.112 0.00 0.00 +ATOM 3113 H1 WAT X 342 14.553 17.076 46.073 0.00 0.00 +ATOM 3114 H2 WAT X 342 13.815 15.939 46.747 0.00 0.00 +ATOM 3115 O WAT X 343 6.467 37.570 31.151 0.00 0.00 +ATOM 3116 H1 WAT X 343 5.748 38.020 31.595 0.00 0.00 +ATOM 3117 H2 WAT X 343 6.681 36.836 31.727 0.00 0.00 +ATOM 3118 O WAT X 344 16.046 53.788 35.884 0.00 0.00 +ATOM 3119 H1 WAT X 344 16.699 54.097 36.512 0.00 0.00 +ATOM 3120 H2 WAT X 344 15.242 54.244 36.131 0.00 0.00 +ATOM 3121 O WAT X 345 6.122 31.526 36.209 0.00 0.00 +ATOM 3122 H1 WAT X 345 5.234 31.883 36.230 0.00 0.00 +ATOM 3123 H2 WAT X 345 6.372 31.560 35.286 0.00 0.00 +ATOM 3124 O WAT X 346 38.871 39.402 5.193 0.00 0.00 +ATOM 3125 H1 WAT X 346 38.726 38.920 4.379 0.00 0.00 +ATOM 3126 H2 WAT X 346 38.466 40.256 5.042 0.00 0.00 +ATOM 3127 O WAT X 347 68.074 28.725 57.004 0.00 0.00 +ATOM 3128 H1 WAT X 347 68.829 28.310 56.587 0.00 0.00 +ATOM 3129 H2 WAT X 347 67.391 28.710 56.333 0.00 0.00 +ATOM 3130 O WAT X 348 44.111 37.966 15.040 0.00 0.00 +ATOM 3131 H1 WAT X 348 45.028 37.787 14.834 0.00 0.00 +ATOM 3132 H2 WAT X 348 44.132 38.786 15.533 0.00 0.00 +ATOM 3133 O WAT X 349 36.801 24.577 42.939 0.00 0.00 +ATOM 3134 H1 WAT X 349 36.933 23.740 42.493 0.00 0.00 +ATOM 3135 H2 WAT X 349 37.078 24.415 43.840 0.00 0.00 +ATOM 3136 O WAT X 350 10.287 52.156 18.124 0.00 0.00 +ATOM 3137 H1 WAT X 350 11.089 52.350 17.639 0.00 0.00 +ATOM 3138 H2 WAT X 350 9.782 51.594 17.536 0.00 0.00 +ATOM 3139 O WAT X 351 17.458 7.639 27.885 0.00 0.00 +ATOM 3140 H1 WAT X 351 17.420 6.689 27.992 0.00 0.00 +ATOM 3141 H2 WAT X 351 18.134 7.923 28.500 0.00 0.00 +ATOM 3142 O WAT X 352 8.226 55.099 7.315 0.00 0.00 +ATOM 3143 H1 WAT X 352 9.138 55.020 7.595 0.00 0.00 +ATOM 3144 H2 WAT X 352 7.744 54.514 7.899 0.00 0.00 +ATOM 3145 O WAT X 353 48.485 59.671 42.482 0.00 0.00 +ATOM 3146 H1 WAT X 353 48.397 60.182 41.677 0.00 0.00 +ATOM 3147 H2 WAT X 353 48.042 58.844 42.290 0.00 0.00 +ATOM 3148 O WAT X 354 57.957 46.982 33.900 0.00 0.00 +ATOM 3149 H1 WAT X 354 58.059 47.311 33.007 0.00 0.00 +ATOM 3150 H2 WAT X 354 58.480 46.180 33.921 0.00 0.00 +ATOM 3151 O WAT X 355 38.553 59.643 13.372 0.00 0.00 +ATOM 3152 H1 WAT X 355 38.835 60.028 12.543 0.00 0.00 +ATOM 3153 H2 WAT X 355 37.664 59.331 13.202 0.00 0.00 +ATOM 3154 O WAT X 356 5.512 42.803 47.364 0.00 0.00 +ATOM 3155 H1 WAT X 356 5.426 43.744 47.215 0.00 0.00 +ATOM 3156 H2 WAT X 356 4.610 42.486 47.425 0.00 0.00 +ATOM 3157 O WAT X 357 66.797 49.951 28.869 0.00 0.00 +ATOM 3158 H1 WAT X 357 66.326 50.776 28.753 0.00 0.00 +ATOM 3159 H2 WAT X 357 67.632 50.205 29.262 0.00 0.00 +ATOM 3160 O WAT X 358 10.668 21.831 34.816 0.00 0.00 +ATOM 3161 H1 WAT X 358 9.855 21.949 34.325 0.00 0.00 +ATOM 3162 H2 WAT X 358 11.303 22.387 34.364 0.00 0.00 +ATOM 3163 O WAT X 359 16.605 42.967 48.163 0.00 0.00 +ATOM 3164 H1 WAT X 359 16.454 43.884 47.935 0.00 0.00 +ATOM 3165 H2 WAT X 359 15.727 42.592 48.239 0.00 0.00 +ATOM 3166 O WAT X 360 37.386 60.524 5.767 0.00 0.00 +ATOM 3167 H1 WAT X 360 37.894 61.050 6.385 0.00 0.00 +ATOM 3168 H2 WAT X 360 37.220 61.113 5.031 0.00 0.00 +ATOM 3169 O WAT X 361 57.474 15.485 18.007 0.00 0.00 +ATOM 3170 H1 WAT X 361 56.753 15.797 17.460 0.00 0.00 +ATOM 3171 H2 WAT X 361 57.979 14.910 17.432 0.00 0.00 +ATOM 3172 O WAT X 362 53.493 40.623 57.085 0.00 0.00 +ATOM 3173 H1 WAT X 362 54.218 40.159 56.667 0.00 0.00 +ATOM 3174 H2 WAT X 362 53.913 41.326 57.581 0.00 0.00 +ATOM 3175 O WAT X 363 63.286 59.752 30.905 0.00 0.00 +ATOM 3176 H1 WAT X 363 63.420 59.398 30.026 0.00 0.00 +ATOM 3177 H2 WAT X 363 64.022 59.412 31.415 0.00 0.00 +ATOM 3178 O WAT X 364 68.480 18.930 51.086 0.00 0.00 +ATOM 3179 H1 WAT X 364 67.818 18.533 50.520 0.00 0.00 +ATOM 3180 H2 WAT X 364 69.090 19.353 50.481 0.00 0.00 +ATOM 3181 O WAT X 365 50.336 38.688 20.737 0.00 0.00 +ATOM 3182 H1 WAT X 365 50.094 38.406 21.619 0.00 0.00 +ATOM 3183 H2 WAT X 365 49.560 38.509 20.206 0.00 0.00 +ATOM 3184 O WAT X 366 11.503 49.118 2.322 0.00 0.00 +ATOM 3185 H1 WAT X 366 11.510 48.213 2.008 0.00 0.00 +ATOM 3186 H2 WAT X 366 11.854 49.066 3.211 0.00 0.00 +ATOM 3187 O WAT X 367 49.068 2.122 24.304 0.00 0.00 +ATOM 3188 H1 WAT X 367 48.828 3.006 24.024 0.00 0.00 +ATOM 3189 H2 WAT X 367 49.159 2.189 25.254 0.00 0.00 +ATOM 3190 O WAT X 368 61.615 2.901 45.257 0.00 0.00 +ATOM 3191 H1 WAT X 368 60.991 3.549 44.929 0.00 0.00 +ATOM 3192 H2 WAT X 368 62.196 3.398 45.833 0.00 0.00 +ATOM 3193 O WAT X 369 65.975 48.649 2.731 0.00 0.00 +ATOM 3194 H1 WAT X 369 66.090 48.701 1.782 0.00 0.00 +ATOM 3195 H2 WAT X 369 65.967 49.561 3.021 0.00 0.00 +ATOM 3196 O WAT X 370 24.222 53.579 3.885 0.00 0.00 +ATOM 3197 H1 WAT X 370 25.085 53.630 4.295 0.00 0.00 +ATOM 3198 H2 WAT X 370 24.402 53.348 2.974 0.00 0.00 +ATOM 3199 O WAT X 371 2.818 38.540 15.494 0.00 0.00 +ATOM 3200 H1 WAT X 371 3.161 38.360 14.618 0.00 0.00 +ATOM 3201 H2 WAT X 371 1.986 38.987 15.337 0.00 0.00 +ATOM 3202 O WAT X 372 1.022 27.434 24.940 0.00 0.00 +ATOM 3203 H1 WAT X 372 1.497 27.278 25.756 0.00 0.00 +ATOM 3204 H2 WAT X 372 1.174 26.645 24.420 0.00 0.00 +ATOM 3205 O WAT X 373 52.552 26.616 15.040 0.00 0.00 +ATOM 3206 H1 WAT X 373 52.786 27.544 15.018 0.00 0.00 +ATOM 3207 H2 WAT X 373 52.083 26.467 14.219 0.00 0.00 +ATOM 3208 O WAT X 374 64.351 0.500 52.287 0.00 0.00 +ATOM 3209 H1 WAT X 374 63.657 1.018 52.695 0.00 0.00 +ATOM 3210 H2 WAT X 374 63.977 -0.377 52.201 0.00 0.00 +ATOM 3211 O WAT X 375 52.710 41.138 6.028 0.00 0.00 +ATOM 3212 H1 WAT X 375 52.761 41.316 6.967 0.00 0.00 +ATOM 3213 H2 WAT X 375 52.938 41.971 5.613 0.00 0.00 +ATOM 3214 O WAT X 376 16.601 28.794 56.640 0.00 0.00 +ATOM 3215 H1 WAT X 376 15.987 28.340 56.063 0.00 0.00 +ATOM 3216 H2 WAT X 376 16.641 28.249 57.425 0.00 0.00 +ATOM 3217 O WAT X 377 64.516 54.959 21.155 0.00 0.00 +ATOM 3218 H1 WAT X 377 63.740 54.400 21.109 0.00 0.00 +ATOM 3219 H2 WAT X 377 65.247 54.367 20.976 0.00 0.00 +ATOM 3220 O WAT X 378 69.970 61.084 56.121 0.00 0.00 +ATOM 3221 H1 WAT X 378 69.717 60.756 55.258 0.00 0.00 +ATOM 3222 H2 WAT X 378 70.483 61.871 55.937 0.00 0.00 +ATOM 3223 O WAT X 379 52.290 57.856 37.387 0.00 0.00 +ATOM 3224 H1 WAT X 379 52.125 57.100 36.823 0.00 0.00 +ATOM 3225 H2 WAT X 379 53.008 57.578 37.956 0.00 0.00 +ATOM 3226 O WAT X 380 22.758 37.862 5.069 0.00 0.00 +ATOM 3227 H1 WAT X 380 21.970 38.341 5.325 0.00 0.00 +ATOM 3228 H2 WAT X 380 23.475 38.474 5.234 0.00 0.00 +ATOM 3229 O WAT X 381 34.061 54.913 32.934 0.00 0.00 +ATOM 3230 H1 WAT X 381 33.669 55.774 32.786 0.00 0.00 +ATOM 3231 H2 WAT X 381 35.003 55.061 32.853 0.00 0.00 +ATOM 3232 O WAT X 382 60.315 59.767 56.771 0.00 0.00 +ATOM 3233 H1 WAT X 382 60.994 59.697 56.099 0.00 0.00 +ATOM 3234 H2 WAT X 382 59.824 60.554 56.534 0.00 0.00 +ATOM 3235 O WAT X 383 55.764 57.323 45.243 0.00 0.00 +ATOM 3236 H1 WAT X 383 54.947 57.022 44.844 0.00 0.00 +ATOM 3237 H2 WAT X 383 56.439 57.103 44.601 0.00 0.00 +ATOM 3238 O WAT X 384 49.376 38.099 3.305 0.00 0.00 +ATOM 3239 H1 WAT X 384 50.005 38.645 3.777 0.00 0.00 +ATOM 3240 H2 WAT X 384 49.838 37.833 2.511 0.00 0.00 +ATOM 3241 O WAT X 385 71.109 51.022 6.686 0.00 0.00 +ATOM 3242 H1 WAT X 385 70.596 50.256 6.941 0.00 0.00 +ATOM 3243 H2 WAT X 385 70.946 51.118 5.748 0.00 0.00 +ATOM 3244 O WAT X 386 72.352 4.787 13.325 0.00 0.00 +ATOM 3245 H1 WAT X 386 71.989 4.069 12.806 0.00 0.00 +ATOM 3246 H2 WAT X 386 73.213 4.473 13.599 0.00 0.00 +ATOM 3247 O WAT X 387 15.829 57.531 53.198 0.00 0.00 +ATOM 3248 H1 WAT X 387 16.091 57.638 52.284 0.00 0.00 +ATOM 3249 H2 WAT X 387 14.906 57.787 53.214 0.00 0.00 +ATOM 3250 O WAT X 388 73.356 9.790 42.929 0.00 0.00 +ATOM 3251 H1 WAT X 388 73.856 10.516 43.302 0.00 0.00 +ATOM 3252 H2 WAT X 388 72.560 10.199 42.588 0.00 0.00 +ATOM 3253 O WAT X 389 53.130 18.848 25.066 0.00 0.00 +ATOM 3254 H1 WAT X 389 53.776 18.450 25.650 0.00 0.00 +ATOM 3255 H2 WAT X 389 52.675 19.488 25.613 0.00 0.00 +ATOM 3256 O WAT X 390 42.360 33.519 52.555 0.00 0.00 +ATOM 3257 H1 WAT X 390 42.333 32.662 52.130 0.00 0.00 +ATOM 3258 H2 WAT X 390 42.016 33.361 53.434 0.00 0.00 +ATOM 3259 O WAT X 391 74.337 18.861 33.326 0.00 0.00 +ATOM 3260 H1 WAT X 391 74.409 18.177 32.661 0.00 0.00 +ATOM 3261 H2 WAT X 391 75.242 19.051 33.574 0.00 0.00 +ATOM 3262 O WAT X 392 76.848 2.204 3.440 0.00 0.00 +ATOM 3263 H1 WAT X 392 75.989 1.852 3.674 0.00 0.00 +ATOM 3264 H2 WAT X 392 76.823 2.281 2.486 0.00 0.00 +ATOM 3265 O WAT X 393 65.681 56.194 1.139 0.00 0.00 +ATOM 3266 H1 WAT X 393 66.498 55.703 1.049 0.00 0.00 +ATOM 3267 H2 WAT X 393 65.514 56.210 2.081 0.00 0.00 +ATOM 3268 O WAT X 394 57.399 58.615 32.787 0.00 0.00 +ATOM 3269 H1 WAT X 394 56.943 58.438 31.964 0.00 0.00 +ATOM 3270 H2 WAT X 394 56.756 58.413 33.466 0.00 0.00 +ATOM 3271 O WAT X 395 61.850 51.030 27.132 0.00 0.00 +ATOM 3272 H1 WAT X 395 62.228 50.452 26.469 0.00 0.00 +ATOM 3273 H2 WAT X 395 61.841 50.503 27.931 0.00 0.00 +ATOM 3274 O WAT X 396 12.962 33.713 20.631 0.00 0.00 +ATOM 3275 H1 WAT X 396 12.295 34.081 21.211 0.00 0.00 +ATOM 3276 H2 WAT X 396 13.792 34.015 20.999 0.00 0.00 +ATOM 3277 O WAT X 397 75.448 42.540 14.672 0.00 0.00 +ATOM 3278 H1 WAT X 397 75.143 41.861 14.071 0.00 0.00 +ATOM 3279 H2 WAT X 397 76.183 42.951 14.217 0.00 0.00 +ATOM 3280 O WAT X 398 69.997 22.577 6.743 0.00 0.00 +ATOM 3281 H1 WAT X 398 70.845 22.136 6.793 0.00 0.00 +ATOM 3282 H2 WAT X 398 70.079 23.322 7.338 0.00 0.00 +ATOM 3283 O WAT X 399 17.688 18.133 57.839 0.00 0.00 +ATOM 3284 H1 WAT X 399 16.900 18.266 57.311 0.00 0.00 +ATOM 3285 H2 WAT X 399 17.772 17.182 57.907 0.00 0.00 +ATOM 3286 O WAT X 400 3.563 11.402 42.011 0.00 0.00 +ATOM 3287 H1 WAT X 400 4.321 11.980 41.921 0.00 0.00 +ATOM 3288 H2 WAT X 400 3.117 11.458 41.167 0.00 0.00 +ATOM 3289 O WAT X 401 12.501 37.961 44.488 0.00 0.00 +ATOM 3290 H1 WAT X 401 13.437 37.772 44.565 0.00 0.00 +ATOM 3291 H2 WAT X 401 12.465 38.835 44.100 0.00 0.00 +ATOM 3292 O WAT X 402 72.350 0.081 2.211 0.00 0.00 +ATOM 3293 H1 WAT X 402 72.455 -0.275 1.329 0.00 0.00 +ATOM 3294 H2 WAT X 402 72.215 1.019 2.077 0.00 0.00 +ATOM 3295 O WAT X 403 25.946 4.840 57.310 0.00 0.00 +ATOM 3296 H1 WAT X 403 25.521 4.137 57.801 0.00 0.00 +ATOM 3297 H2 WAT X 403 25.406 4.947 56.528 0.00 0.00 +ATOM 3298 O WAT X 404 63.720 35.759 21.205 0.00 0.00 +ATOM 3299 H1 WAT X 404 63.317 36.613 21.047 0.00 0.00 +ATOM 3300 H2 WAT X 404 62.981 35.160 21.304 0.00 0.00 +ATOM 3301 O WAT X 405 7.780 54.387 32.170 0.00 0.00 +ATOM 3302 H1 WAT X 405 7.688 53.443 32.043 0.00 0.00 +ATOM 3303 H2 WAT X 405 8.599 54.610 31.729 0.00 0.00 +ATOM 3304 O WAT X 406 18.055 53.514 27.780 0.00 0.00 +ATOM 3305 H1 WAT X 406 18.675 53.734 27.085 0.00 0.00 +ATOM 3306 H2 WAT X 406 18.332 52.648 28.082 0.00 0.00 +ATOM 3307 O WAT X 407 20.536 28.156 14.858 0.00 0.00 +ATOM 3308 H1 WAT X 407 21.244 28.240 15.497 0.00 0.00 +ATOM 3309 H2 WAT X 407 20.897 28.522 14.051 0.00 0.00 +ATOM 3310 O WAT X 408 43.081 49.146 32.617 0.00 0.00 +ATOM 3311 H1 WAT X 408 43.175 49.781 31.907 0.00 0.00 +ATOM 3312 H2 WAT X 408 42.158 48.891 32.589 0.00 0.00 +ATOM 3313 O WAT X 409 16.846 32.498 15.547 0.00 0.00 +ATOM 3314 H1 WAT X 409 17.143 31.883 16.217 0.00 0.00 +ATOM 3315 H2 WAT X 409 16.969 33.361 15.943 0.00 0.00 +ATOM 3316 O WAT X 410 65.647 34.348 0.405 0.00 0.00 +ATOM 3317 H1 WAT X 410 65.720 33.520 -0.070 0.00 0.00 +ATOM 3318 H2 WAT X 410 66.143 34.207 1.211 0.00 0.00 +ATOM 3319 O WAT X 411 7.555 26.842 26.301 0.00 0.00 +ATOM 3320 H1 WAT X 411 8.507 26.938 26.300 0.00 0.00 +ATOM 3321 H2 WAT X 411 7.395 26.052 26.818 0.00 0.00 +ATOM 3322 O WAT X 412 10.021 52.917 48.975 0.00 0.00 +ATOM 3323 H1 WAT X 412 10.882 53.333 49.021 0.00 0.00 +ATOM 3324 H2 WAT X 412 9.836 52.648 49.875 0.00 0.00 +ATOM 3325 O WAT X 413 11.630 14.227 17.147 0.00 0.00 +ATOM 3326 H1 WAT X 413 11.147 13.542 17.610 0.00 0.00 +ATOM 3327 H2 WAT X 413 11.105 14.405 16.367 0.00 0.00 +ATOM 3328 O WAT X 414 77.808 53.430 18.318 0.00 0.00 +ATOM 3329 H1 WAT X 414 78.317 53.170 17.550 0.00 0.00 +ATOM 3330 H2 WAT X 414 77.608 52.606 18.762 0.00 0.00 +ATOM 3331 O WAT X 415 19.046 8.554 52.484 0.00 0.00 +ATOM 3332 H1 WAT X 415 19.804 9.138 52.505 0.00 0.00 +ATOM 3333 H2 WAT X 415 18.403 8.974 53.055 0.00 0.00 +ATOM 3334 O WAT X 416 75.838 13.857 1.147 0.00 0.00 +ATOM 3335 H1 WAT X 416 74.887 13.806 1.043 0.00 0.00 +ATOM 3336 H2 WAT X 416 76.096 12.976 1.417 0.00 0.00 +ATOM 3337 O WAT X 417 16.067 56.595 1.755 0.00 0.00 +ATOM 3338 H1 WAT X 417 16.901 56.134 1.847 0.00 0.00 +ATOM 3339 H2 WAT X 417 15.436 55.908 1.539 0.00 0.00 +ATOM 3340 O WAT X 418 39.346 32.129 52.438 0.00 0.00 +ATOM 3341 H1 WAT X 418 39.289 31.993 53.384 0.00 0.00 +ATOM 3342 H2 WAT X 418 38.489 31.862 52.106 0.00 0.00 +ATOM 3343 O WAT X 419 55.181 43.502 40.956 0.00 0.00 +ATOM 3344 H1 WAT X 419 55.023 44.355 41.360 0.00 0.00 +ATOM 3345 H2 WAT X 419 55.189 42.887 41.690 0.00 0.00 +ATOM 3346 O WAT X 420 51.577 17.002 43.707 0.00 0.00 +ATOM 3347 H1 WAT X 420 51.516 16.223 44.259 0.00 0.00 +ATOM 3348 H2 WAT X 420 51.209 17.705 44.242 0.00 0.00 +ATOM 3349 O WAT X 421 67.487 4.456 45.048 0.00 0.00 +ATOM 3350 H1 WAT X 421 67.025 4.867 45.778 0.00 0.00 +ATOM 3351 H2 WAT X 421 68.257 4.051 45.448 0.00 0.00 +ATOM 3352 O WAT X 422 31.637 44.140 9.303 0.00 0.00 +ATOM 3353 H1 WAT X 422 31.754 44.307 8.368 0.00 0.00 +ATOM 3354 H2 WAT X 422 31.386 43.217 9.352 0.00 0.00 +ATOM 3355 O WAT X 423 1.891 58.083 34.981 0.00 0.00 +ATOM 3356 H1 WAT X 423 2.232 58.818 34.471 0.00 0.00 +ATOM 3357 H2 WAT X 423 1.364 58.491 35.668 0.00 0.00 +ATOM 3358 O WAT X 424 40.002 14.402 23.185 0.00 0.00 +ATOM 3359 H1 WAT X 424 39.420 13.921 23.772 0.00 0.00 +ATOM 3360 H2 WAT X 424 40.425 15.052 23.746 0.00 0.00 +ATOM 3361 O WAT X 425 42.099 38.738 54.240 0.00 0.00 +ATOM 3362 H1 WAT X 425 42.964 38.328 54.234 0.00 0.00 +ATOM 3363 H2 WAT X 425 41.972 39.015 55.148 0.00 0.00 +ATOM 3364 O WAT X 426 13.550 47.404 22.661 0.00 0.00 +ATOM 3365 H1 WAT X 426 13.308 47.731 23.527 0.00 0.00 +ATOM 3366 H2 WAT X 426 12.727 47.093 22.284 0.00 0.00 +ATOM 3367 O WAT X 427 61.007 43.903 26.695 0.00 0.00 +ATOM 3368 H1 WAT X 427 60.168 44.243 26.384 0.00 0.00 +ATOM 3369 H2 WAT X 427 61.423 44.649 27.127 0.00 0.00 +ATOM 3370 O WAT X 428 69.819 41.140 44.657 0.00 0.00 +ATOM 3371 H1 WAT X 428 69.885 42.050 44.949 0.00 0.00 +ATOM 3372 H2 WAT X 428 69.578 41.202 43.733 0.00 0.00 +ATOM 3373 O WAT X 429 48.450 14.498 30.134 0.00 0.00 +ATOM 3374 H1 WAT X 429 49.059 14.659 30.855 0.00 0.00 +ATOM 3375 H2 WAT X 429 48.912 13.886 29.562 0.00 0.00 +ATOM 3376 O WAT X 430 36.989 2.203 56.281 0.00 0.00 +ATOM 3377 H1 WAT X 430 37.840 2.109 56.710 0.00 0.00 +ATOM 3378 H2 WAT X 430 36.861 3.149 56.209 0.00 0.00 +ATOM 3379 O WAT X 431 57.713 62.292 26.561 0.00 0.00 +ATOM 3380 H1 WAT X 431 56.897 62.785 26.474 0.00 0.00 +ATOM 3381 H2 WAT X 431 57.857 61.911 25.695 0.00 0.00 +ATOM 3382 O WAT X 432 23.387 54.505 8.376 0.00 0.00 +ATOM 3383 H1 WAT X 432 24.163 53.953 8.281 0.00 0.00 +ATOM 3384 H2 WAT X 432 22.654 53.926 8.168 0.00 0.00 +ATOM 3385 O WAT X 433 67.069 11.564 16.409 0.00 0.00 +ATOM 3386 H1 WAT X 433 66.856 11.443 15.483 0.00 0.00 +ATOM 3387 H2 WAT X 433 67.717 10.885 16.596 0.00 0.00 +ATOM 3388 O WAT X 434 22.541 39.379 34.227 0.00 0.00 +ATOM 3389 H1 WAT X 434 22.733 39.335 33.290 0.00 0.00 +ATOM 3390 H2 WAT X 434 23.196 38.811 34.633 0.00 0.00 +ATOM 3391 O WAT X 435 54.213 58.165 15.765 0.00 0.00 +ATOM 3392 H1 WAT X 435 55.103 57.964 16.053 0.00 0.00 +ATOM 3393 H2 WAT X 435 53.932 58.880 16.336 0.00 0.00 +ATOM 3394 O WAT X 436 12.132 25.653 0.393 0.00 0.00 +ATOM 3395 H1 WAT X 436 11.967 26.306 -0.287 0.00 0.00 +ATOM 3396 H2 WAT X 436 11.287 25.222 0.521 0.00 0.00 +ATOM 3397 O WAT X 437 17.253 30.478 45.709 0.00 0.00 +ATOM 3398 H1 WAT X 437 16.390 30.148 45.957 0.00 0.00 +ATOM 3399 H2 WAT X 437 17.764 29.691 45.515 0.00 0.00 +ATOM 3400 O WAT X 438 14.096 55.668 6.133 0.00 0.00 +ATOM 3401 H1 WAT X 438 13.193 55.350 6.127 0.00 0.00 +ATOM 3402 H2 WAT X 438 14.584 54.998 6.612 0.00 0.00 +ATOM 3403 O WAT X 439 72.993 2.883 30.397 0.00 0.00 +ATOM 3404 H1 WAT X 439 73.023 3.160 31.313 0.00 0.00 +ATOM 3405 H2 WAT X 439 72.208 3.302 30.045 0.00 0.00 +ATOM 3406 O WAT X 440 66.552 42.703 10.448 0.00 0.00 +ATOM 3407 H1 WAT X 440 65.895 42.508 9.779 0.00 0.00 +ATOM 3408 H2 WAT X 440 66.671 43.652 10.397 0.00 0.00 +ATOM 3409 O WAT X 441 53.365 40.375 22.956 0.00 0.00 +ATOM 3410 H1 WAT X 441 53.003 40.355 22.070 0.00 0.00 +ATOM 3411 H2 WAT X 441 53.966 39.631 22.986 0.00 0.00 +ATOM 3412 O WAT X 442 6.794 27.739 48.615 0.00 0.00 +ATOM 3413 H1 WAT X 442 6.292 27.034 48.206 0.00 0.00 +ATOM 3414 H2 WAT X 442 6.832 28.424 47.948 0.00 0.00 +ATOM 3415 O WAT X 443 72.129 29.447 34.970 0.00 0.00 +ATOM 3416 H1 WAT X 443 73.018 29.691 34.711 0.00 0.00 +ATOM 3417 H2 WAT X 443 72.134 29.502 35.926 0.00 0.00 +ATOM 3418 O WAT X 444 70.027 20.407 39.859 0.00 0.00 +ATOM 3419 H1 WAT X 444 70.321 20.992 40.558 0.00 0.00 +ATOM 3420 H2 WAT X 444 70.544 19.611 39.980 0.00 0.00 +ATOM 3421 O WAT X 445 22.191 0.924 14.461 0.00 0.00 +ATOM 3422 H1 WAT X 445 23.148 0.956 14.435 0.00 0.00 +ATOM 3423 H2 WAT X 445 21.991 0.087 14.880 0.00 0.00 +ATOM 3424 O WAT X 446 62.192 61.908 52.957 0.00 0.00 +ATOM 3425 H1 WAT X 446 62.026 62.799 53.266 0.00 0.00 +ATOM 3426 H2 WAT X 446 62.328 61.399 53.756 0.00 0.00 +ATOM 3427 O WAT X 447 71.909 57.286 7.161 0.00 0.00 +ATOM 3428 H1 WAT X 447 71.028 57.530 6.878 0.00 0.00 +ATOM 3429 H2 WAT X 447 72.012 56.381 6.869 0.00 0.00 +ATOM 3430 O WAT X 448 57.613 18.446 46.957 0.00 0.00 +ATOM 3431 H1 WAT X 448 57.426 17.849 46.233 0.00 0.00 +ATOM 3432 H2 WAT X 448 58.466 18.164 47.287 0.00 0.00 +ATOM 3433 O WAT X 449 69.477 5.333 25.225 0.00 0.00 +ATOM 3434 H1 WAT X 449 68.585 5.479 25.542 0.00 0.00 +ATOM 3435 H2 WAT X 449 69.959 6.112 25.504 0.00 0.00 +ATOM 3436 O WAT X 450 59.885 1.583 34.802 0.00 0.00 +ATOM 3437 H1 WAT X 450 60.199 2.416 35.151 0.00 0.00 +ATOM 3438 H2 WAT X 450 60.649 1.200 34.370 0.00 0.00 +ATOM 3439 O WAT X 451 55.957 7.094 38.942 0.00 0.00 +ATOM 3440 H1 WAT X 451 55.848 6.903 38.010 0.00 0.00 +ATOM 3441 H2 WAT X 451 55.140 6.798 39.344 0.00 0.00 +ATOM 3442 O WAT X 452 4.941 27.206 39.078 0.00 0.00 +ATOM 3443 H1 WAT X 452 4.580 27.845 39.693 0.00 0.00 +ATOM 3444 H2 WAT X 452 4.296 27.163 38.372 0.00 0.00 +ATOM 3445 O WAT X 453 7.560 41.505 48.440 0.00 0.00 +ATOM 3446 H1 WAT X 453 7.242 40.727 48.899 0.00 0.00 +ATOM 3447 H2 WAT X 453 6.844 41.745 47.852 0.00 0.00 +ATOM 3448 O WAT X 454 1.196 13.816 39.690 0.00 0.00 +ATOM 3449 H1 WAT X 454 2.128 13.614 39.606 0.00 0.00 +ATOM 3450 H2 WAT X 454 0.751 13.035 39.362 0.00 0.00 +ATOM 3451 O WAT X 455 24.102 19.537 1.133 0.00 0.00 +ATOM 3452 H1 WAT X 455 24.700 20.277 1.026 0.00 0.00 +ATOM 3453 H2 WAT X 455 23.378 19.887 1.652 0.00 0.00 +ATOM 3454 O WAT X 456 39.015 18.368 56.618 0.00 0.00 +ATOM 3455 H1 WAT X 456 38.890 17.425 56.517 0.00 0.00 +ATOM 3456 H2 WAT X 456 38.358 18.628 57.264 0.00 0.00 +ATOM 3457 O WAT X 457 45.726 18.844 14.589 0.00 0.00 +ATOM 3458 H1 WAT X 457 46.236 19.582 14.923 0.00 0.00 +ATOM 3459 H2 WAT X 457 46.273 18.467 13.900 0.00 0.00 +ATOM 3460 O WAT X 458 0.518 9.782 14.118 0.00 0.00 +ATOM 3461 H1 WAT X 458 0.663 9.774 13.172 0.00 0.00 +ATOM 3462 H2 WAT X 458 0.011 8.988 14.290 0.00 0.00 +ATOM 3463 O WAT X 459 0.400 21.385 5.074 0.00 0.00 +ATOM 3464 H1 WAT X 459 -0.441 21.142 5.462 0.00 0.00 +ATOM 3465 H2 WAT X 459 1.050 20.919 5.599 0.00 0.00 +ATOM 3466 O WAT X 460 68.133 54.348 5.025 0.00 0.00 +ATOM 3467 H1 WAT X 460 68.535 53.499 4.845 0.00 0.00 +ATOM 3468 H2 WAT X 460 67.430 54.422 4.380 0.00 0.00 +ATOM 3469 O WAT X 461 55.487 38.978 56.235 0.00 0.00 +ATOM 3470 H1 WAT X 461 55.294 38.535 55.409 0.00 0.00 +ATOM 3471 H2 WAT X 461 55.887 38.302 56.781 0.00 0.00 +ATOM 3472 O WAT X 462 46.265 37.050 43.189 0.00 0.00 +ATOM 3473 H1 WAT X 462 47.026 37.372 43.672 0.00 0.00 +ATOM 3474 H2 WAT X 462 45.613 36.867 43.865 0.00 0.00 +ATOM 3475 O WAT X 463 12.702 48.686 40.861 0.00 0.00 +ATOM 3476 H1 WAT X 463 12.896 47.750 40.916 0.00 0.00 +ATOM 3477 H2 WAT X 463 11.815 48.726 40.503 0.00 0.00 +ATOM 3478 O WAT X 464 70.249 30.330 24.101 0.00 0.00 +ATOM 3479 H1 WAT X 464 70.430 29.958 24.964 0.00 0.00 +ATOM 3480 H2 WAT X 464 71.019 30.862 23.903 0.00 0.00 +ATOM 3481 O WAT X 465 70.230 50.151 42.180 0.00 0.00 +ATOM 3482 H1 WAT X 465 70.658 50.942 41.850 0.00 0.00 +ATOM 3483 H2 WAT X 465 70.682 49.433 41.738 0.00 0.00 +ATOM 3484 O WAT X 466 61.000 1.013 12.595 0.00 0.00 +ATOM 3485 H1 WAT X 466 61.370 0.596 13.373 0.00 0.00 +ATOM 3486 H2 WAT X 466 61.357 1.901 12.607 0.00 0.00 +ATOM 3487 O WAT X 467 73.378 55.412 10.930 0.00 0.00 +ATOM 3488 H1 WAT X 467 73.999 55.419 10.201 0.00 0.00 +ATOM 3489 H2 WAT X 467 72.869 54.612 10.803 0.00 0.00 +ATOM 3490 O WAT X 468 76.458 26.448 6.471 0.00 0.00 +ATOM 3491 H1 WAT X 468 75.653 26.759 6.056 0.00 0.00 +ATOM 3492 H2 WAT X 468 76.886 25.919 5.798 0.00 0.00 +ATOM 3493 O WAT X 469 69.007 25.879 40.636 0.00 0.00 +ATOM 3494 H1 WAT X 469 68.107 25.707 40.912 0.00 0.00 +ATOM 3495 H2 WAT X 469 69.375 26.414 41.340 0.00 0.00 +ATOM 3496 O WAT X 470 36.123 2.984 2.245 0.00 0.00 +ATOM 3497 H1 WAT X 470 35.394 3.326 1.727 0.00 0.00 +ATOM 3498 H2 WAT X 470 36.650 3.754 2.455 0.00 0.00 +ATOM 3499 O WAT X 471 55.299 58.424 34.922 0.00 0.00 +ATOM 3500 H1 WAT X 471 55.427 58.771 35.805 0.00 0.00 +ATOM 3501 H2 WAT X 471 54.421 58.716 34.675 0.00 0.00 +ATOM 3502 O WAT X 472 43.015 12.439 21.086 0.00 0.00 +ATOM 3503 H1 WAT X 472 43.225 11.706 21.665 0.00 0.00 +ATOM 3504 H2 WAT X 472 42.069 12.376 20.954 0.00 0.00 +ATOM 3505 O WAT X 473 71.899 53.460 7.069 0.00 0.00 +ATOM 3506 H1 WAT X 473 71.578 52.626 6.726 0.00 0.00 +ATOM 3507 H2 WAT X 473 71.335 54.119 6.664 0.00 0.00 +ATOM 3508 O WAT X 474 74.903 41.575 55.549 0.00 0.00 +ATOM 3509 H1 WAT X 474 74.423 41.216 56.295 0.00 0.00 +ATOM 3510 H2 WAT X 474 75.429 42.282 55.921 0.00 0.00 +ATOM 3511 O WAT X 475 35.966 17.940 42.549 0.00 0.00 +ATOM 3512 H1 WAT X 475 35.751 17.980 41.617 0.00 0.00 +ATOM 3513 H2 WAT X 475 35.127 18.064 42.993 0.00 0.00 +ATOM 3514 O WAT X 476 22.736 54.928 0.778 0.00 0.00 +ATOM 3515 H1 WAT X 476 22.287 54.908 -0.067 0.00 0.00 +ATOM 3516 H2 WAT X 476 23.578 54.503 0.612 0.00 0.00 +ATOM 3517 O WAT X 477 18.078 11.727 29.637 0.00 0.00 +ATOM 3518 H1 WAT X 477 18.470 10.877 29.838 0.00 0.00 +ATOM 3519 H2 WAT X 477 17.437 11.866 30.334 0.00 0.00 +ATOM 3520 O WAT X 478 69.372 36.234 17.594 0.00 0.00 +ATOM 3521 H1 WAT X 478 68.646 36.714 17.993 0.00 0.00 +ATOM 3522 H2 WAT X 478 69.206 35.319 17.820 0.00 0.00 +ATOM 3523 O WAT X 479 23.877 3.163 34.032 0.00 0.00 +ATOM 3524 H1 WAT X 479 24.112 2.621 33.280 0.00 0.00 +ATOM 3525 H2 WAT X 479 22.998 2.871 34.273 0.00 0.00 +ATOM 3526 O WAT X 480 72.048 3.437 43.480 0.00 0.00 +ATOM 3527 H1 WAT X 480 72.907 3.551 43.073 0.00 0.00 +ATOM 3528 H2 WAT X 480 72.064 4.019 44.240 0.00 0.00 +ATOM 3529 O WAT X 481 76.335 57.419 38.057 0.00 0.00 +ATOM 3530 H1 WAT X 481 75.695 56.984 38.621 0.00 0.00 +ATOM 3531 H2 WAT X 481 76.687 56.717 37.509 0.00 0.00 +ATOM 3532 O WAT X 482 24.144 15.718 46.326 0.00 0.00 +ATOM 3533 H1 WAT X 482 24.158 15.149 47.096 0.00 0.00 +ATOM 3534 H2 WAT X 482 24.575 16.523 46.615 0.00 0.00 +ATOM 3535 O WAT X 483 22.058 54.707 50.974 0.00 0.00 +ATOM 3536 H1 WAT X 483 22.197 55.256 51.746 0.00 0.00 +ATOM 3537 H2 WAT X 483 22.162 55.304 50.233 0.00 0.00 +ATOM 3538 O WAT X 484 63.536 24.145 3.147 0.00 0.00 +ATOM 3539 H1 WAT X 484 64.207 23.642 2.686 0.00 0.00 +ATOM 3540 H2 WAT X 484 62.732 23.640 3.026 0.00 0.00 +ATOM 3541 O WAT X 485 43.550 42.860 46.647 0.00 0.00 +ATOM 3542 H1 WAT X 485 44.263 42.272 46.894 0.00 0.00 +ATOM 3543 H2 WAT X 485 43.970 43.715 46.545 0.00 0.00 +ATOM 3544 O WAT X 486 28.201 37.744 58.542 0.00 0.00 +ATOM 3545 H1 WAT X 486 29.007 37.603 58.046 0.00 0.00 +ATOM 3546 H2 WAT X 486 27.653 38.274 57.964 0.00 0.00 +ATOM 3547 O WAT X 487 45.376 51.743 21.518 0.00 0.00 +ATOM 3548 H1 WAT X 487 46.155 51.861 22.061 0.00 0.00 +ATOM 3549 H2 WAT X 487 45.708 51.738 20.621 0.00 0.00 +ATOM 3550 O WAT X 488 77.289 13.250 4.891 0.00 0.00 +ATOM 3551 H1 WAT X 488 76.417 13.537 4.619 0.00 0.00 +ATOM 3552 H2 WAT X 488 77.317 13.429 5.830 0.00 0.00 +ATOM 3553 O WAT X 489 67.231 12.633 0.465 0.00 0.00 +ATOM 3554 H1 WAT X 489 66.880 13.036 1.259 0.00 0.00 +ATOM 3555 H2 WAT X 489 67.069 11.697 0.581 0.00 0.00 +ATOM 3556 O WAT X 490 61.579 39.612 10.928 0.00 0.00 +ATOM 3557 H1 WAT X 490 62.388 39.238 10.577 0.00 0.00 +ATOM 3558 H2 WAT X 490 61.747 39.707 11.866 0.00 0.00 +ATOM 3559 O WAT X 491 46.128 0.023 56.943 0.00 0.00 +ATOM 3560 H1 WAT X 491 45.324 0.189 56.451 0.00 0.00 +ATOM 3561 H2 WAT X 491 45.888 0.182 57.856 0.00 0.00 +ATOM 3562 O WAT X 492 12.958 0.550 52.967 0.00 0.00 +ATOM 3563 H1 WAT X 492 12.294 0.779 53.618 0.00 0.00 +ATOM 3564 H2 WAT X 492 13.662 0.147 53.475 0.00 0.00 +ATOM 3565 O WAT X 493 15.719 45.945 23.826 0.00 0.00 +ATOM 3566 H1 WAT X 493 15.076 46.504 23.389 0.00 0.00 +ATOM 3567 H2 WAT X 493 16.459 46.525 24.005 0.00 0.00 +ATOM 3568 O WAT X 494 23.253 21.872 54.439 0.00 0.00 +ATOM 3569 H1 WAT X 494 23.746 21.137 54.075 0.00 0.00 +ATOM 3570 H2 WAT X 494 23.123 22.463 53.697 0.00 0.00 +ATOM 3571 O WAT X 495 76.546 6.068 1.729 0.00 0.00 +ATOM 3572 H1 WAT X 495 76.369 5.926 0.799 0.00 0.00 +ATOM 3573 H2 WAT X 495 77.493 6.199 1.776 0.00 0.00 +ATOM 3574 O WAT X 496 41.232 39.036 6.319 0.00 0.00 +ATOM 3575 H1 WAT X 496 40.420 39.052 5.812 0.00 0.00 +ATOM 3576 H2 WAT X 496 41.844 39.564 5.807 0.00 0.00 +ATOM 3577 O WAT X 497 47.406 52.178 26.444 0.00 0.00 +ATOM 3578 H1 WAT X 497 48.263 51.751 26.424 0.00 0.00 +ATOM 3579 H2 WAT X 497 47.561 53.044 26.069 0.00 0.00 +ATOM 3580 O WAT X 498 75.420 43.747 32.928 0.00 0.00 +ATOM 3581 H1 WAT X 498 76.373 43.779 32.854 0.00 0.00 +ATOM 3582 H2 WAT X 498 75.197 44.498 33.478 0.00 0.00 +ATOM 3583 O WAT X 499 74.819 36.140 33.603 0.00 0.00 +ATOM 3584 H1 WAT X 499 74.219 35.447 33.879 0.00 0.00 +ATOM 3585 H2 WAT X 499 74.365 36.953 33.824 0.00 0.00 +ATOM 3586 O WAT X 500 33.801 10.392 38.938 0.00 0.00 +ATOM 3587 H1 WAT X 500 33.860 10.404 37.983 0.00 0.00 +ATOM 3588 H2 WAT X 500 33.330 11.196 39.159 0.00 0.00 +ATOM 3589 O WAT X 501 21.479 45.594 7.595 0.00 0.00 +ATOM 3590 H1 WAT X 501 20.934 45.565 6.808 0.00 0.00 +ATOM 3591 H2 WAT X 501 20.868 45.801 8.302 0.00 0.00 +ATOM 3592 O WAT X 502 70.947 21.353 9.242 0.00 0.00 +ATOM 3593 H1 WAT X 502 70.623 22.198 9.553 0.00 0.00 +ATOM 3594 H2 WAT X 502 71.612 21.101 9.882 0.00 0.00 +ATOM 3595 O WAT X 503 55.177 21.514 57.390 0.00 0.00 +ATOM 3596 H1 WAT X 503 55.521 20.633 57.543 0.00 0.00 +ATOM 3597 H2 WAT X 503 54.884 21.501 56.479 0.00 0.00 +ATOM 3598 O WAT X 504 72.550 20.500 56.430 0.00 0.00 +ATOM 3599 H1 WAT X 504 72.517 21.134 55.714 0.00 0.00 +ATOM 3600 H2 WAT X 504 73.069 20.931 57.108 0.00 0.00 +ATOM 3601 O WAT X 505 68.503 19.484 3.049 0.00 0.00 +ATOM 3602 H1 WAT X 505 68.969 20.182 3.509 0.00 0.00 +ATOM 3603 H2 WAT X 505 68.878 19.486 2.168 0.00 0.00 +ATOM 3604 O WAT X 506 61.949 4.275 3.680 0.00 0.00 +ATOM 3605 H1 WAT X 506 61.254 3.802 4.137 0.00 0.00 +ATOM 3606 H2 WAT X 506 61.529 5.078 3.371 0.00 0.00 +ATOM 3607 O WAT X 507 19.345 37.717 22.376 0.00 0.00 +ATOM 3608 H1 WAT X 507 18.886 36.956 22.020 0.00 0.00 +ATOM 3609 H2 WAT X 507 19.749 38.131 21.614 0.00 0.00 +ATOM 3610 O WAT X 508 77.521 39.339 18.754 0.00 0.00 +ATOM 3611 H1 WAT X 508 77.904 40.135 18.387 0.00 0.00 +ATOM 3612 H2 WAT X 508 76.650 39.288 18.359 0.00 0.00 +ATOM 3613 O WAT X 509 12.590 4.566 21.540 0.00 0.00 +ATOM 3614 H1 WAT X 509 11.923 5.194 21.815 0.00 0.00 +ATOM 3615 H2 WAT X 509 12.663 4.693 20.594 0.00 0.00 +ATOM 3616 O WAT X 510 49.207 53.540 3.538 0.00 0.00 +ATOM 3617 H1 WAT X 510 48.603 53.167 2.897 0.00 0.00 +ATOM 3618 H2 WAT X 510 49.946 52.931 3.554 0.00 0.00 +ATOM 3619 O WAT X 511 77.441 51.973 40.867 0.00 0.00 +ATOM 3620 H1 WAT X 511 76.666 52.534 40.886 0.00 0.00 +ATOM 3621 H2 WAT X 511 77.889 52.156 41.693 0.00 0.00 +ATOM 3622 O WAT X 512 53.775 44.602 47.369 0.00 0.00 +ATOM 3623 H1 WAT X 512 53.066 45.244 47.397 0.00 0.00 +ATOM 3624 H2 WAT X 512 53.442 43.855 47.866 0.00 0.00 +ATOM 3625 O WAT X 513 33.105 47.320 51.290 0.00 0.00 +ATOM 3626 H1 WAT X 513 33.207 46.692 50.575 0.00 0.00 +ATOM 3627 H2 WAT X 513 33.504 48.125 50.960 0.00 0.00 +ATOM 3628 O WAT X 514 25.846 23.181 44.354 0.00 0.00 +ATOM 3629 H1 WAT X 514 26.772 23.077 44.137 0.00 0.00 +ATOM 3630 H2 WAT X 514 25.692 24.124 44.301 0.00 0.00 +ATOM 3631 O WAT X 515 39.092 8.814 7.203 0.00 0.00 +ATOM 3632 H1 WAT X 515 38.666 8.637 6.365 0.00 0.00 +ATOM 3633 H2 WAT X 515 38.653 9.598 7.534 0.00 0.00 +ATOM 3634 O WAT X 516 62.734 27.573 26.895 0.00 0.00 +ATOM 3635 H1 WAT X 516 62.785 27.529 25.940 0.00 0.00 +ATOM 3636 H2 WAT X 516 63.105 28.427 27.115 0.00 0.00 +ATOM 3637 O WAT X 517 47.035 60.788 5.341 0.00 0.00 +ATOM 3638 H1 WAT X 517 47.113 61.547 5.919 0.00 0.00 +ATOM 3639 H2 WAT X 517 46.109 60.766 5.099 0.00 0.00 +ATOM 3640 O WAT X 518 76.497 19.341 54.925 0.00 0.00 +ATOM 3641 H1 WAT X 518 77.353 19.297 54.500 0.00 0.00 +ATOM 3642 H2 WAT X 518 75.869 19.246 54.209 0.00 0.00 +ATOM 3643 O WAT X 519 66.336 44.444 52.016 0.00 0.00 +ATOM 3644 H1 WAT X 519 66.434 43.502 51.878 0.00 0.00 +ATOM 3645 H2 WAT X 519 66.549 44.574 52.940 0.00 0.00 +ATOM 3646 O WAT X 520 14.377 50.309 2.638 0.00 0.00 +ATOM 3647 H1 WAT X 520 13.739 50.194 1.935 0.00 0.00 +ATOM 3648 H2 WAT X 520 14.203 49.586 3.241 0.00 0.00 +ATOM 3649 O WAT X 521 55.960 53.823 7.536 0.00 0.00 +ATOM 3650 H1 WAT X 521 56.312 54.642 7.188 0.00 0.00 +ATOM 3651 H2 WAT X 521 56.654 53.181 7.386 0.00 0.00 +ATOM 3652 O WAT X 522 12.419 50.829 53.434 0.00 0.00 +ATOM 3653 H1 WAT X 522 12.895 51.366 52.801 0.00 0.00 +ATOM 3654 H2 WAT X 522 12.915 50.012 53.476 0.00 0.00 +ATOM 3655 O WAT X 523 13.007 53.880 31.923 0.00 0.00 +ATOM 3656 H1 WAT X 523 13.289 53.424 31.130 0.00 0.00 +ATOM 3657 H2 WAT X 523 12.755 54.752 31.621 0.00 0.00 +ATOM 3658 O WAT X 524 69.105 12.777 22.102 0.00 0.00 +ATOM 3659 H1 WAT X 524 68.919 13.705 21.962 0.00 0.00 +ATOM 3660 H2 WAT X 524 69.622 12.756 22.908 0.00 0.00 +ATOM 3661 O WAT X 525 57.490 54.777 34.190 0.00 0.00 +ATOM 3662 H1 WAT X 525 58.269 54.500 33.708 0.00 0.00 +ATOM 3663 H2 WAT X 525 57.740 55.610 34.591 0.00 0.00 +ATOM 3664 O WAT X 526 23.600 48.228 41.059 0.00 0.00 +ATOM 3665 H1 WAT X 526 23.649 47.353 40.673 0.00 0.00 +ATOM 3666 H2 WAT X 526 24.503 48.433 41.302 0.00 0.00 +ATOM 3667 O WAT X 527 69.560 10.416 3.096 0.00 0.00 +ATOM 3668 H1 WAT X 527 70.318 10.964 3.301 0.00 0.00 +ATOM 3669 H2 WAT X 527 69.582 9.721 3.754 0.00 0.00 +ATOM 3670 O WAT X 528 10.305 43.118 55.245 0.00 0.00 +ATOM 3671 H1 WAT X 528 9.701 43.334 54.535 0.00 0.00 +ATOM 3672 H2 WAT X 528 10.260 43.871 55.835 0.00 0.00 +ATOM 3673 O WAT X 529 66.772 45.640 6.670 0.00 0.00 +ATOM 3674 H1 WAT X 529 67.106 46.079 5.887 0.00 0.00 +ATOM 3675 H2 WAT X 529 65.950 45.240 6.387 0.00 0.00 +ATOM 3676 O WAT X 530 73.845 54.387 43.558 0.00 0.00 +ATOM 3677 H1 WAT X 530 74.036 55.134 42.990 0.00 0.00 +ATOM 3678 H2 WAT X 530 74.531 54.412 44.225 0.00 0.00 +ATOM 3679 O WAT X 531 45.468 35.450 51.260 0.00 0.00 +ATOM 3680 H1 WAT X 531 46.186 35.027 50.790 0.00 0.00 +ATOM 3681 H2 WAT X 531 44.805 35.613 50.589 0.00 0.00 +ATOM 3682 O WAT X 532 37.186 50.404 32.467 0.00 0.00 +ATOM 3683 H1 WAT X 532 37.061 50.887 33.285 0.00 0.00 +ATOM 3684 H2 WAT X 532 38.051 50.676 32.159 0.00 0.00 +ATOM 3685 O WAT X 533 2.005 30.981 5.784 0.00 0.00 +ATOM 3686 H1 WAT X 533 1.149 30.903 5.363 0.00 0.00 +ATOM 3687 H2 WAT X 533 2.173 30.113 6.150 0.00 0.00 +ATOM 3688 O WAT X 534 53.328 50.428 20.795 0.00 0.00 +ATOM 3689 H1 WAT X 534 53.507 49.783 20.111 0.00 0.00 +ATOM 3690 H2 WAT X 534 52.774 49.965 21.423 0.00 0.00 +ATOM 3691 O WAT X 535 55.878 9.454 36.686 0.00 0.00 +ATOM 3692 H1 WAT X 535 55.465 8.598 36.565 0.00 0.00 +ATOM 3693 H2 WAT X 535 55.662 9.699 37.586 0.00 0.00 +ATOM 3694 O WAT X 536 75.807 41.083 22.217 0.00 0.00 +ATOM 3695 H1 WAT X 536 75.457 40.212 22.408 0.00 0.00 +ATOM 3696 H2 WAT X 536 76.757 40.974 22.264 0.00 0.00 +ATOM 3697 O WAT X 537 77.354 57.067 23.386 0.00 0.00 +ATOM 3698 H1 WAT X 537 76.774 57.279 24.117 0.00 0.00 +ATOM 3699 H2 WAT X 537 77.797 57.892 23.185 0.00 0.00 +ATOM 3700 O WAT X 538 44.977 55.162 20.902 0.00 0.00 +ATOM 3701 H1 WAT X 538 45.046 55.358 19.968 0.00 0.00 +ATOM 3702 H2 WAT X 538 45.854 54.871 21.151 0.00 0.00 +ATOM 3703 O WAT X 539 15.376 52.774 33.097 0.00 0.00 +ATOM 3704 H1 WAT X 539 14.529 53.159 32.876 0.00 0.00 +ATOM 3705 H2 WAT X 539 15.578 53.121 33.966 0.00 0.00 +ATOM 3706 O WAT X 540 52.843 50.135 39.828 0.00 0.00 +ATOM 3707 H1 WAT X 540 53.744 50.246 40.134 0.00 0.00 +ATOM 3708 H2 WAT X 540 52.334 50.754 40.351 0.00 0.00 +ATOM 3709 O WAT X 541 25.776 19.734 50.657 0.00 0.00 +ATOM 3710 H1 WAT X 541 26.062 18.840 50.471 0.00 0.00 +ATOM 3711 H2 WAT X 541 25.692 20.143 49.795 0.00 0.00 +ATOM 3712 O WAT X 542 13.263 27.089 36.937 0.00 0.00 +ATOM 3713 H1 WAT X 542 14.050 26.752 36.509 0.00 0.00 +ATOM 3714 H2 WAT X 542 13.577 27.447 37.767 0.00 0.00 +ATOM 3715 O WAT X 543 66.778 54.175 14.733 0.00 0.00 +ATOM 3716 H1 WAT X 543 67.342 54.049 13.970 0.00 0.00 +ATOM 3717 H2 WAT X 543 67.350 54.013 15.483 0.00 0.00 +ATOM 3718 O WAT X 544 68.060 41.327 19.426 0.00 0.00 +ATOM 3719 H1 WAT X 544 67.889 41.954 18.722 0.00 0.00 +ATOM 3720 H2 WAT X 544 67.193 41.116 19.774 0.00 0.00 +ATOM 3721 O WAT X 545 23.327 25.983 15.481 0.00 0.00 +ATOM 3722 H1 WAT X 545 23.078 26.857 15.781 0.00 0.00 +ATOM 3723 H2 WAT X 545 24.110 25.771 15.989 0.00 0.00 +ATOM 3724 O WAT X 546 62.725 35.455 13.217 0.00 0.00 +ATOM 3725 H1 WAT X 546 61.872 35.453 13.651 0.00 0.00 +ATOM 3726 H2 WAT X 546 63.114 36.296 13.457 0.00 0.00 +ATOM 3727 O WAT X 547 58.937 2.123 41.615 0.00 0.00 +ATOM 3728 H1 WAT X 547 59.640 1.494 41.451 0.00 0.00 +ATOM 3729 H2 WAT X 547 58.148 1.586 41.692 0.00 0.00 +ATOM 3730 O WAT X 548 68.705 2.518 0.199 0.00 0.00 +ATOM 3731 H1 WAT X 548 69.503 1.988 0.212 0.00 0.00 +ATOM 3732 H2 WAT X 548 67.997 1.887 0.328 0.00 0.00 +ATOM 3733 O WAT X 549 25.641 43.038 55.353 0.00 0.00 +ATOM 3734 H1 WAT X 549 25.848 42.654 54.501 0.00 0.00 +ATOM 3735 H2 WAT X 549 24.712 43.261 55.296 0.00 0.00 +ATOM 3736 O WAT X 550 29.736 25.376 3.096 0.00 0.00 +ATOM 3737 H1 WAT X 550 29.091 25.101 2.445 0.00 0.00 +ATOM 3738 H2 WAT X 550 30.481 24.791 2.958 0.00 0.00 +ATOM 3739 O WAT X 551 40.691 20.345 46.968 0.00 0.00 +ATOM 3740 H1 WAT X 551 41.106 19.638 46.473 0.00 0.00 +ATOM 3741 H2 WAT X 551 39.916 19.940 47.358 0.00 0.00 +ATOM 3742 O WAT X 552 53.157 55.657 55.840 0.00 0.00 +ATOM 3743 H1 WAT X 552 52.284 55.922 55.550 0.00 0.00 +ATOM 3744 H2 WAT X 552 53.614 56.481 56.007 0.00 0.00 +ATOM 3745 O WAT X 553 54.321 48.254 47.170 0.00 0.00 +ATOM 3746 H1 WAT X 553 53.429 48.570 47.028 0.00 0.00 +ATOM 3747 H2 WAT X 553 54.594 48.669 47.989 0.00 0.00 +ATOM 3748 O WAT X 554 64.095 25.476 42.380 0.00 0.00 +ATOM 3749 H1 WAT X 554 63.317 24.940 42.229 0.00 0.00 +ATOM 3750 H2 WAT X 554 63.895 25.971 43.174 0.00 0.00 +ATOM 3751 O WAT X 555 40.452 39.861 52.364 0.00 0.00 +ATOM 3752 H1 WAT X 555 41.047 39.327 52.891 0.00 0.00 +ATOM 3753 H2 WAT X 555 40.653 39.621 51.459 0.00 0.00 +ATOM 3754 O WAT X 556 54.939 42.204 0.192 0.00 0.00 +ATOM 3755 H1 WAT X 556 55.856 42.378 -0.020 0.00 0.00 +ATOM 3756 H2 WAT X 556 54.949 41.956 1.116 0.00 0.00 +ATOM 3757 O WAT X 557 2.723 53.309 5.518 0.00 0.00 +ATOM 3758 H1 WAT X 557 2.062 53.268 6.210 0.00 0.00 +ATOM 3759 H2 WAT X 557 2.319 53.842 4.833 0.00 0.00 +ATOM 3760 O WAT X 558 49.537 2.213 42.246 0.00 0.00 +ATOM 3761 H1 WAT X 558 48.828 2.609 42.753 0.00 0.00 +ATOM 3762 H2 WAT X 558 49.465 1.275 42.426 0.00 0.00 +ATOM 3763 O WAT X 559 65.300 45.183 13.504 0.00 0.00 +ATOM 3764 H1 WAT X 559 65.030 45.421 14.391 0.00 0.00 +ATOM 3765 H2 WAT X 559 66.193 44.852 13.606 0.00 0.00 +ATOM 3766 O WAT X 560 52.193 13.341 58.217 0.00 0.00 +ATOM 3767 H1 WAT X 560 51.268 13.556 58.335 0.00 0.00 +ATOM 3768 H2 WAT X 560 52.235 12.927 57.355 0.00 0.00 +ATOM 3769 O WAT X 561 16.367 53.736 48.832 0.00 0.00 +ATOM 3770 H1 WAT X 561 16.809 53.298 49.559 0.00 0.00 +ATOM 3771 H2 WAT X 561 16.583 54.662 48.943 0.00 0.00 +ATOM 3772 O WAT X 562 14.177 10.666 19.829 0.00 0.00 +ATOM 3773 H1 WAT X 562 14.382 9.897 20.360 0.00 0.00 +ATOM 3774 H2 WAT X 562 13.364 11.006 20.204 0.00 0.00 +ATOM 3775 O WAT X 563 49.190 49.919 40.824 0.00 0.00 +ATOM 3776 H1 WAT X 563 49.952 50.421 40.537 0.00 0.00 +ATOM 3777 H2 WAT X 563 48.877 50.380 41.602 0.00 0.00 +ATOM 3778 O WAT X 564 43.298 28.857 14.058 0.00 0.00 +ATOM 3779 H1 WAT X 564 43.955 28.227 13.763 0.00 0.00 +ATOM 3780 H2 WAT X 564 43.031 29.316 13.261 0.00 0.00 +ATOM 3781 O WAT X 565 22.707 61.835 19.052 0.00 0.00 +ATOM 3782 H1 WAT X 565 23.252 62.365 18.470 0.00 0.00 +ATOM 3783 H2 WAT X 565 23.282 61.614 19.784 0.00 0.00 +ATOM 3784 O WAT X 566 61.616 1.593 40.142 0.00 0.00 +ATOM 3785 H1 WAT X 566 62.545 1.781 40.274 0.00 0.00 +ATOM 3786 H2 WAT X 566 61.259 2.399 39.769 0.00 0.00 +ATOM 3787 O WAT X 567 68.205 57.147 48.466 0.00 0.00 +ATOM 3788 H1 WAT X 567 68.508 57.968 48.080 0.00 0.00 +ATOM 3789 H2 WAT X 567 68.886 56.914 49.098 0.00 0.00 +ATOM 3790 O WAT X 568 14.239 17.493 14.725 0.00 0.00 +ATOM 3791 H1 WAT X 568 14.019 16.565 14.643 0.00 0.00 +ATOM 3792 H2 WAT X 568 15.135 17.557 14.396 0.00 0.00 +ATOM 3793 O WAT X 569 76.839 47.682 8.593 0.00 0.00 +ATOM 3794 H1 WAT X 569 76.432 47.630 9.458 0.00 0.00 +ATOM 3795 H2 WAT X 569 76.103 47.683 7.981 0.00 0.00 +ATOM 3796 O WAT X 570 63.980 32.065 24.989 0.00 0.00 +ATOM 3797 H1 WAT X 570 64.291 31.671 24.173 0.00 0.00 +ATOM 3798 H2 WAT X 570 64.396 32.927 25.012 0.00 0.00 +ATOM 3799 O WAT X 571 20.328 33.293 45.761 0.00 0.00 +ATOM 3800 H1 WAT X 571 19.434 33.468 45.468 0.00 0.00 +ATOM 3801 H2 WAT X 571 20.827 33.178 44.952 0.00 0.00 +ATOM 3802 O WAT X 572 75.265 51.251 52.717 0.00 0.00 +ATOM 3803 H1 WAT X 572 74.895 51.105 51.846 0.00 0.00 +ATOM 3804 H2 WAT X 572 76.199 51.074 52.613 0.00 0.00 +ATOM 3805 O WAT X 573 43.291 33.209 -0.056 0.00 0.00 +ATOM 3806 H1 WAT X 573 43.311 33.311 0.895 0.00 0.00 +ATOM 3807 H2 WAT X 573 42.421 32.856 -0.242 0.00 0.00 +ATOM 3808 O WAT X 574 44.876 14.251 34.320 0.00 0.00 +ATOM 3809 H1 WAT X 574 45.098 13.359 34.053 0.00 0.00 +ATOM 3810 H2 WAT X 574 44.713 14.186 35.261 0.00 0.00 +ATOM 3811 O WAT X 575 40.466 21.155 16.397 0.00 0.00 +ATOM 3812 H1 WAT X 575 40.010 21.125 17.238 0.00 0.00 +ATOM 3813 H2 WAT X 575 39.821 20.840 15.764 0.00 0.00 +ATOM 3814 O WAT X 576 48.750 53.480 37.012 0.00 0.00 +ATOM 3815 H1 WAT X 576 48.681 53.591 37.961 0.00 0.00 +ATOM 3816 H2 WAT X 576 49.080 52.589 36.899 0.00 0.00 +ATOM 3817 O WAT X 577 34.035 43.792 51.918 0.00 0.00 +ATOM 3818 H1 WAT X 577 33.640 43.961 52.774 0.00 0.00 +ATOM 3819 H2 WAT X 577 34.569 43.009 52.051 0.00 0.00 +ATOM 3820 O WAT X 578 10.214 6.247 22.311 0.00 0.00 +ATOM 3821 H1 WAT X 578 10.953 6.561 22.832 0.00 0.00 +ATOM 3822 H2 WAT X 578 9.474 6.253 22.919 0.00 0.00 +ATOM 3823 O WAT X 579 57.194 54.019 27.554 0.00 0.00 +ATOM 3824 H1 WAT X 579 57.287 54.769 26.966 0.00 0.00 +ATOM 3825 H2 WAT X 579 56.778 53.344 27.018 0.00 0.00 +ATOM 3826 O WAT X 580 75.758 30.580 46.668 0.00 0.00 +ATOM 3827 H1 WAT X 580 75.082 30.018 47.044 0.00 0.00 +ATOM 3828 H2 WAT X 580 75.282 31.347 46.349 0.00 0.00 +ATOM 3829 O WAT X 581 29.062 61.571 24.351 0.00 0.00 +ATOM 3830 H1 WAT X 581 29.342 62.114 23.615 0.00 0.00 +ATOM 3831 H2 WAT X 581 29.462 61.981 25.118 0.00 0.00 +ATOM 3832 O WAT X 582 9.685 17.401 21.217 0.00 0.00 +ATOM 3833 H1 WAT X 582 9.629 16.456 21.358 0.00 0.00 +ATOM 3834 H2 WAT X 582 10.584 17.546 20.921 0.00 0.00 +ATOM 3835 O WAT X 583 40.314 57.489 18.850 0.00 0.00 +ATOM 3836 H1 WAT X 583 40.252 57.528 17.896 0.00 0.00 +ATOM 3837 H2 WAT X 583 39.543 56.990 19.120 0.00 0.00 +ATOM 3838 O WAT X 584 23.527 32.355 8.506 0.00 0.00 +ATOM 3839 H1 WAT X 584 23.473 32.058 7.597 0.00 0.00 +ATOM 3840 H2 WAT X 584 22.947 31.764 8.986 0.00 0.00 +ATOM 3841 O WAT X 585 44.511 61.089 22.561 0.00 0.00 +ATOM 3842 H1 WAT X 585 44.229 61.983 22.364 0.00 0.00 +ATOM 3843 H2 WAT X 585 43.944 60.812 23.281 0.00 0.00 +ATOM 3844 O WAT X 586 39.060 12.392 32.408 0.00 0.00 +ATOM 3845 H1 WAT X 586 39.444 13.251 32.232 0.00 0.00 +ATOM 3846 H2 WAT X 586 39.041 12.329 33.363 0.00 0.00 +ATOM 3847 O WAT X 587 69.102 9.896 57.034 0.00 0.00 +ATOM 3848 H1 WAT X 587 68.573 9.681 57.802 0.00 0.00 +ATOM 3849 H2 WAT X 587 68.747 10.729 56.724 0.00 0.00 +ATOM 3850 O WAT X 588 0.480 6.846 9.071 0.00 0.00 +ATOM 3851 H1 WAT X 588 0.626 5.916 9.245 0.00 0.00 +ATOM 3852 H2 WAT X 588 1.354 7.199 8.905 0.00 0.00 +ATOM 3853 O WAT X 589 54.436 52.598 9.697 0.00 0.00 +ATOM 3854 H1 WAT X 589 54.625 53.257 9.030 0.00 0.00 +ATOM 3855 H2 WAT X 589 54.807 51.788 9.347 0.00 0.00 +ATOM 3856 O WAT X 590 16.923 31.688 6.287 0.00 0.00 +ATOM 3857 H1 WAT X 590 16.949 32.578 6.639 0.00 0.00 +ATOM 3858 H2 WAT X 590 17.409 31.164 6.924 0.00 0.00 +ATOM 3859 O WAT X 591 55.892 21.824 33.156 0.00 0.00 +ATOM 3860 H1 WAT X 591 54.988 21.632 32.908 0.00 0.00 +ATOM 3861 H2 WAT X 591 56.345 20.985 33.078 0.00 0.00 +ATOM 3862 O WAT X 592 40.343 48.464 47.549 0.00 0.00 +ATOM 3863 H1 WAT X 592 40.198 47.537 47.739 0.00 0.00 +ATOM 3864 H2 WAT X 592 40.205 48.539 46.605 0.00 0.00 +ATOM 3865 O WAT X 593 41.490 39.927 49.832 0.00 0.00 +ATOM 3866 H1 WAT X 593 41.552 40.680 49.245 0.00 0.00 +ATOM 3867 H2 WAT X 593 41.856 39.200 49.329 0.00 0.00 +ATOM 3868 O WAT X 594 7.011 27.672 53.358 0.00 0.00 +ATOM 3869 H1 WAT X 594 7.458 27.205 52.651 0.00 0.00 +ATOM 3870 H2 WAT X 594 6.081 27.499 53.208 0.00 0.00 +ATOM 3871 O WAT X 595 50.437 42.666 16.178 0.00 0.00 +ATOM 3872 H1 WAT X 595 49.963 42.284 16.917 0.00 0.00 +ATOM 3873 H2 WAT X 595 50.395 43.610 16.329 0.00 0.00 +ATOM 3874 O WAT X 596 48.313 43.999 4.755 0.00 0.00 +ATOM 3875 H1 WAT X 596 48.003 44.904 4.775 0.00 0.00 +ATOM 3876 H2 WAT X 596 48.318 43.767 3.826 0.00 0.00 +ATOM 3877 O WAT X 597 67.658 54.396 58.502 0.00 0.00 +ATOM 3878 H1 WAT X 597 68.569 54.678 58.594 0.00 0.00 +ATOM 3879 H2 WAT X 597 67.461 54.522 57.574 0.00 0.00 +ATOM 3880 O WAT X 598 50.838 14.470 46.760 0.00 0.00 +ATOM 3881 H1 WAT X 598 51.614 14.838 47.184 0.00 0.00 +ATOM 3882 H2 WAT X 598 50.132 15.076 46.983 0.00 0.00 +ATOM 3883 O WAT X 599 12.403 35.852 52.074 0.00 0.00 +ATOM 3884 H1 WAT X 599 11.580 35.605 51.652 0.00 0.00 +ATOM 3885 H2 WAT X 599 12.962 35.080 51.978 0.00 0.00 +ATOM 3886 O WAT X 600 62.396 48.437 2.285 0.00 0.00 +ATOM 3887 H1 WAT X 600 61.467 48.540 2.491 0.00 0.00 +ATOM 3888 H2 WAT X 600 62.682 49.312 2.023 0.00 0.00 +ATOM 3889 O WAT X 601 25.987 0.546 9.627 0.00 0.00 +ATOM 3890 H1 WAT X 601 25.842 0.039 8.828 0.00 0.00 +ATOM 3891 H2 WAT X 601 25.262 0.302 10.201 0.00 0.00 +ATOM 3892 O WAT X 602 47.738 3.551 47.041 0.00 0.00 +ATOM 3893 H1 WAT X 602 48.371 4.267 46.985 0.00 0.00 +ATOM 3894 H2 WAT X 602 48.038 3.023 47.780 0.00 0.00 +ATOM 3895 O WAT X 603 30.340 22.828 8.634 0.00 0.00 +ATOM 3896 H1 WAT X 603 31.230 22.876 8.284 0.00 0.00 +ATOM 3897 H2 WAT X 603 29.796 23.241 7.964 0.00 0.00 +ATOM 3898 O WAT X 604 17.844 29.875 8.323 0.00 0.00 +ATOM 3899 H1 WAT X 604 18.193 29.768 9.208 0.00 0.00 +ATOM 3900 H2 WAT X 604 18.572 29.637 7.748 0.00 0.00 +ATOM 3901 O WAT X 605 67.652 35.553 26.094 0.00 0.00 +ATOM 3902 H1 WAT X 605 68.559 35.484 26.390 0.00 0.00 +ATOM 3903 H2 WAT X 605 67.483 36.494 26.057 0.00 0.00 +ATOM 3904 O WAT X 606 73.706 31.903 21.062 0.00 0.00 +ATOM 3905 H1 WAT X 606 74.269 31.653 20.329 0.00 0.00 +ATOM 3906 H2 WAT X 606 73.594 32.849 20.966 0.00 0.00 +ATOM 3907 O WAT X 607 72.727 61.841 58.135 0.00 0.00 +ATOM 3908 H1 WAT X 607 72.009 61.951 57.512 0.00 0.00 +ATOM 3909 H2 WAT X 607 72.706 60.912 58.363 0.00 0.00 +ATOM 3910 O WAT X 608 54.662 7.923 21.795 0.00 0.00 +ATOM 3911 H1 WAT X 608 55.617 7.963 21.845 0.00 0.00 +ATOM 3912 H2 WAT X 608 54.438 8.471 21.042 0.00 0.00 +ATOM 3913 O WAT X 609 39.181 22.297 49.747 0.00 0.00 +ATOM 3914 H1 WAT X 609 38.672 22.679 49.032 0.00 0.00 +ATOM 3915 H2 WAT X 609 40.092 22.460 49.506 0.00 0.00 +ATOM 3916 O WAT X 610 54.660 32.348 7.399 0.00 0.00 +ATOM 3917 H1 WAT X 610 54.401 32.837 6.618 0.00 0.00 +ATOM 3918 H2 WAT X 610 55.614 32.422 7.422 0.00 0.00 +ATOM 3919 O WAT X 611 63.098 35.191 37.983 0.00 0.00 +ATOM 3920 H1 WAT X 611 63.844 35.791 37.973 0.00 0.00 +ATOM 3921 H2 WAT X 611 62.343 35.744 37.781 0.00 0.00 +ATOM 3922 O WAT X 612 19.120 23.915 53.384 0.00 0.00 +ATOM 3923 H1 WAT X 612 19.516 23.308 54.010 0.00 0.00 +ATOM 3924 H2 WAT X 612 18.180 23.747 53.451 0.00 0.00 +ATOM 3925 O WAT X 613 70.270 44.190 52.042 0.00 0.00 +ATOM 3926 H1 WAT X 613 70.936 44.466 51.413 0.00 0.00 +ATOM 3927 H2 WAT X 613 69.452 44.198 51.545 0.00 0.00 +ATOM 3928 O WAT X 614 36.788 10.973 2.596 0.00 0.00 +ATOM 3929 H1 WAT X 614 35.857 10.836 2.771 0.00 0.00 +ATOM 3930 H2 WAT X 614 37.169 11.155 3.455 0.00 0.00 +ATOM 3931 O WAT X 615 25.107 1.911 31.875 0.00 0.00 +ATOM 3932 H1 WAT X 615 24.709 1.223 31.341 0.00 0.00 +ATOM 3933 H2 WAT X 615 24.798 2.727 31.482 0.00 0.00 +ATOM 3934 O WAT X 616 30.013 47.109 34.056 0.00 0.00 +ATOM 3935 H1 WAT X 616 30.564 46.383 34.350 0.00 0.00 +ATOM 3936 H2 WAT X 616 30.424 47.407 33.244 0.00 0.00 +ATOM 3937 O WAT X 617 74.962 29.496 42.595 0.00 0.00 +ATOM 3938 H1 WAT X 617 75.755 30.028 42.664 0.00 0.00 +ATOM 3939 H2 WAT X 617 74.974 28.947 43.379 0.00 0.00 +ATOM 3940 O WAT X 618 70.133 16.651 49.178 0.00 0.00 +ATOM 3941 H1 WAT X 618 69.700 16.631 48.325 0.00 0.00 +ATOM 3942 H2 WAT X 618 69.660 16.005 49.702 0.00 0.00 +ATOM 3943 O WAT X 619 67.590 34.541 40.510 0.00 0.00 +ATOM 3944 H1 WAT X 619 68.134 35.318 40.384 0.00 0.00 +ATOM 3945 H2 WAT X 619 68.140 33.943 41.016 0.00 0.00 +ATOM 3946 O WAT X 620 30.521 17.900 8.313 0.00 0.00 +ATOM 3947 H1 WAT X 620 31.263 18.321 7.878 0.00 0.00 +ATOM 3948 H2 WAT X 620 29.751 18.335 7.948 0.00 0.00 +ATOM 3949 O WAT X 621 2.977 19.429 53.256 0.00 0.00 +ATOM 3950 H1 WAT X 621 2.256 19.766 52.723 0.00 0.00 +ATOM 3951 H2 WAT X 621 3.029 18.501 53.028 0.00 0.00 +ATOM 3952 O WAT X 622 9.106 17.534 4.419 0.00 0.00 +ATOM 3953 H1 WAT X 622 8.241 17.361 4.790 0.00 0.00 +ATOM 3954 H2 WAT X 622 9.553 18.055 5.086 0.00 0.00 +ATOM 3955 O WAT X 623 38.354 13.544 44.792 0.00 0.00 +ATOM 3956 H1 WAT X 623 38.915 14.190 45.220 0.00 0.00 +ATOM 3957 H2 WAT X 623 38.956 12.857 44.506 0.00 0.00 +ATOM 3958 O WAT X 624 63.598 41.671 52.954 0.00 0.00 +ATOM 3959 H1 WAT X 624 62.728 41.581 52.564 0.00 0.00 +ATOM 3960 H2 WAT X 624 63.991 40.803 52.865 0.00 0.00 +ATOM 3961 O WAT X 625 52.876 12.172 25.057 0.00 0.00 +ATOM 3962 H1 WAT X 625 53.339 11.624 25.689 0.00 0.00 +ATOM 3963 H2 WAT X 625 51.974 11.852 25.078 0.00 0.00 +ATOM 3964 O WAT X 626 50.625 29.176 14.792 0.00 0.00 +ATOM 3965 H1 WAT X 626 51.220 29.740 15.287 0.00 0.00 +ATOM 3966 H2 WAT X 626 50.534 29.611 13.944 0.00 0.00 +ATOM 3967 O WAT X 627 50.760 59.022 23.203 0.00 0.00 +ATOM 3968 H1 WAT X 627 50.712 59.095 22.250 0.00 0.00 +ATOM 3969 H2 WAT X 627 50.606 59.913 23.518 0.00 0.00 +ATOM 3970 O WAT X 628 77.928 17.724 7.704 0.00 0.00 +ATOM 3971 H1 WAT X 628 77.881 16.837 8.062 0.00 0.00 +ATOM 3972 H2 WAT X 628 77.513 18.273 8.368 0.00 0.00 +ATOM 3973 O WAT X 629 13.294 61.122 36.175 0.00 0.00 +ATOM 3974 H1 WAT X 629 13.103 61.024 35.242 0.00 0.00 +ATOM 3975 H2 WAT X 629 13.516 60.238 36.468 0.00 0.00 +ATOM 3976 O WAT X 630 65.034 35.558 41.218 0.00 0.00 +ATOM 3977 H1 WAT X 630 65.842 35.044 41.220 0.00 0.00 +ATOM 3978 H2 WAT X 630 65.248 36.337 40.705 0.00 0.00 +ATOM 3979 O WAT X 631 38.148 19.679 1.623 0.00 0.00 +ATOM 3980 H1 WAT X 631 38.600 20.504 1.796 0.00 0.00 +ATOM 3981 H2 WAT X 631 37.619 19.854 0.845 0.00 0.00 +ATOM 3982 O WAT X 632 38.502 45.561 44.485 0.00 0.00 +ATOM 3983 H1 WAT X 632 38.564 45.708 43.542 0.00 0.00 +ATOM 3984 H2 WAT X 632 39.330 45.140 44.717 0.00 0.00 +ATOM 3985 O WAT X 633 73.320 51.888 31.458 0.00 0.00 +ATOM 3986 H1 WAT X 633 73.395 52.756 31.063 0.00 0.00 +ATOM 3987 H2 WAT X 633 72.444 51.588 31.213 0.00 0.00 +ATOM 3988 O WAT X 634 6.131 15.989 28.967 0.00 0.00 +ATOM 3989 H1 WAT X 634 6.750 15.951 29.695 0.00 0.00 +ATOM 3990 H2 WAT X 634 6.675 16.166 28.199 0.00 0.00 +ATOM 3991 O WAT X 635 58.690 3.931 19.932 0.00 0.00 +ATOM 3992 H1 WAT X 635 57.807 3.599 19.769 0.00 0.00 +ATOM 3993 H2 WAT X 635 59.213 3.148 20.103 0.00 0.00 +ATOM 3994 O WAT X 636 73.961 61.394 13.211 0.00 0.00 +ATOM 3995 H1 WAT X 636 73.827 60.558 12.765 0.00 0.00 +ATOM 3996 H2 WAT X 636 74.776 61.277 13.700 0.00 0.00 +ATOM 3997 O WAT X 637 66.708 10.162 33.847 0.00 0.00 +ATOM 3998 H1 WAT X 637 66.297 10.140 34.711 0.00 0.00 +ATOM 3999 H2 WAT X 637 67.139 11.016 33.808 0.00 0.00 +ATOM 4000 O WAT X 638 6.282 42.374 57.933 0.00 0.00 +ATOM 4001 H1 WAT X 638 5.755 43.172 57.898 0.00 0.00 +ATOM 4002 H2 WAT X 638 6.498 42.189 57.019 0.00 0.00 +ATOM 4003 O WAT X 639 74.369 51.194 17.600 0.00 0.00 +ATOM 4004 H1 WAT X 639 75.118 50.756 17.195 0.00 0.00 +ATOM 4005 H2 WAT X 639 73.678 50.531 17.603 0.00 0.00 +ATOM 4006 O WAT X 640 68.981 24.329 38.348 0.00 0.00 +ATOM 4007 H1 WAT X 640 69.035 24.862 39.141 0.00 0.00 +ATOM 4008 H2 WAT X 640 69.597 23.612 38.500 0.00 0.00 +ATOM 4009 O WAT X 641 24.661 40.017 55.136 0.00 0.00 +ATOM 4010 H1 WAT X 641 23.944 40.647 55.204 0.00 0.00 +ATOM 4011 H2 WAT X 641 24.278 39.266 54.683 0.00 0.00 +ATOM 4012 O WAT X 642 60.431 0.745 50.066 0.00 0.00 +ATOM 4013 H1 WAT X 642 60.341 0.817 51.016 0.00 0.00 +ATOM 4014 H2 WAT X 642 60.086 -0.123 49.857 0.00 0.00 +ATOM 4015 O WAT X 643 5.089 26.061 29.304 0.00 0.00 +ATOM 4016 H1 WAT X 643 5.102 26.171 28.353 0.00 0.00 +ATOM 4017 H2 WAT X 643 5.028 25.115 29.435 0.00 0.00 +ATOM 4018 O WAT X 644 29.396 10.080 0.702 0.00 0.00 +ATOM 4019 H1 WAT X 644 29.866 9.497 0.106 0.00 0.00 +ATOM 4020 H2 WAT X 644 28.581 10.285 0.244 0.00 0.00 +ATOM 4021 O WAT X 645 21.448 10.250 52.606 0.00 0.00 +ATOM 4022 H1 WAT X 645 21.458 10.511 53.527 0.00 0.00 +ATOM 4023 H2 WAT X 645 22.361 10.323 52.327 0.00 0.00 +ATOM 4024 O WAT X 646 74.068 43.471 53.260 0.00 0.00 +ATOM 4025 H1 WAT X 646 73.133 43.262 53.269 0.00 0.00 +ATOM 4026 H2 WAT X 646 74.257 43.761 54.152 0.00 0.00 +ATOM 4027 O WAT X 647 31.918 21.941 43.892 0.00 0.00 +ATOM 4028 H1 WAT X 647 32.315 22.545 44.520 0.00 0.00 +ATOM 4029 H2 WAT X 647 31.231 21.496 44.390 0.00 0.00 +ATOM 4030 O WAT X 648 11.949 50.724 19.937 0.00 0.00 +ATOM 4031 H1 WAT X 648 11.562 51.414 19.398 0.00 0.00 +ATOM 4032 H2 WAT X 648 11.828 51.027 20.837 0.00 0.00 +ATOM 4033 O WAT X 649 4.380 14.542 3.135 0.00 0.00 +ATOM 4034 H1 WAT X 649 5.031 13.886 2.888 0.00 0.00 +ATOM 4035 H2 WAT X 649 3.725 14.054 3.633 0.00 0.00 +ATOM 4036 O WAT X 650 24.918 60.610 12.658 0.00 0.00 +ATOM 4037 H1 WAT X 650 24.887 59.705 12.970 0.00 0.00 +ATOM 4038 H2 WAT X 650 25.499 61.056 13.275 0.00 0.00 +ATOM 4039 O WAT X 651 72.401 38.998 12.141 0.00 0.00 +ATOM 4040 H1 WAT X 651 72.578 39.907 11.898 0.00 0.00 +ATOM 4041 H2 WAT X 651 71.860 39.061 12.928 0.00 0.00 +ATOM 4042 O WAT X 652 55.650 23.259 1.506 0.00 0.00 +ATOM 4043 H1 WAT X 652 55.089 22.756 2.097 0.00 0.00 +ATOM 4044 H2 WAT X 652 55.534 22.840 0.653 0.00 0.00 +ATOM 4045 O WAT X 653 66.453 31.273 46.293 0.00 0.00 +ATOM 4046 H1 WAT X 653 66.583 30.332 46.408 0.00 0.00 +ATOM 4047 H2 WAT X 653 66.961 31.673 46.999 0.00 0.00 +ATOM 4048 O WAT X 654 64.509 9.554 2.038 0.00 0.00 +ATOM 4049 H1 WAT X 654 64.719 9.534 1.104 0.00 0.00 +ATOM 4050 H2 WAT X 654 65.309 9.872 2.457 0.00 0.00 +ATOM 4051 O WAT X 655 0.315 23.116 36.286 0.00 0.00 +ATOM 4052 H1 WAT X 655 0.957 22.541 36.702 0.00 0.00 +ATOM 4053 H2 WAT X 655 0.525 23.989 36.618 0.00 0.00 +ATOM 4054 O WAT X 656 57.915 59.970 6.547 0.00 0.00 +ATOM 4055 H1 WAT X 656 57.536 59.955 7.426 0.00 0.00 +ATOM 4056 H2 WAT X 656 58.678 60.542 6.625 0.00 0.00 +ATOM 4057 O WAT X 657 37.740 25.235 1.860 0.00 0.00 +ATOM 4058 H1 WAT X 657 38.468 24.784 1.431 0.00 0.00 +ATOM 4059 H2 WAT X 657 37.249 24.537 2.293 0.00 0.00 +ATOM 4060 O WAT X 658 39.598 10.145 52.792 0.00 0.00 +ATOM 4061 H1 WAT X 658 39.089 9.628 53.417 0.00 0.00 +ATOM 4062 H2 WAT X 658 39.866 10.920 53.285 0.00 0.00 +ATOM 4063 O WAT X 659 59.237 32.715 15.482 0.00 0.00 +ATOM 4064 H1 WAT X 659 58.912 31.869 15.790 0.00 0.00 +ATOM 4065 H2 WAT X 659 58.469 33.285 15.492 0.00 0.00 +ATOM 4066 O WAT X 660 70.232 55.176 0.789 0.00 0.00 +ATOM 4067 H1 WAT X 660 70.816 55.398 1.514 0.00 0.00 +ATOM 4068 H2 WAT X 660 70.393 55.856 0.135 0.00 0.00 +ATOM 4069 O WAT X 661 72.830 3.260 39.393 0.00 0.00 +ATOM 4070 H1 WAT X 661 72.938 2.311 39.464 0.00 0.00 +ATOM 4071 H2 WAT X 661 71.955 3.428 39.741 0.00 0.00 +ATOM 4072 O WAT X 662 8.367 44.322 29.542 0.00 0.00 +ATOM 4073 H1 WAT X 662 8.765 43.536 29.917 0.00 0.00 +ATOM 4074 H2 WAT X 662 8.038 44.808 30.298 0.00 0.00 +ATOM 4075 O WAT X 663 53.163 14.266 4.895 0.00 0.00 +ATOM 4076 H1 WAT X 663 52.727 14.105 4.059 0.00 0.00 +ATOM 4077 H2 WAT X 663 53.707 13.490 5.035 0.00 0.00 +ATOM 4078 O WAT X 664 47.511 48.294 26.441 0.00 0.00 +ATOM 4079 H1 WAT X 664 47.733 49.196 26.212 0.00 0.00 +ATOM 4080 H2 WAT X 664 48.272 47.783 26.167 0.00 0.00 +ATOM 4081 O WAT X 665 9.217 21.190 44.755 0.00 0.00 +ATOM 4082 H1 WAT X 665 9.037 21.133 45.693 0.00 0.00 +ATOM 4083 H2 WAT X 665 8.578 20.601 44.353 0.00 0.00 +ATOM 4084 O WAT X 666 76.417 50.781 29.243 0.00 0.00 +ATOM 4085 H1 WAT X 666 77.352 50.668 29.072 0.00 0.00 +ATOM 4086 H2 WAT X 666 76.059 49.894 29.211 0.00 0.00 +ATOM 4087 O WAT X 667 63.585 15.206 32.048 0.00 0.00 +ATOM 4088 H1 WAT X 667 62.686 15.042 31.764 0.00 0.00 +ATOM 4089 H2 WAT X 667 63.984 14.337 32.095 0.00 0.00 +ATOM 4090 O WAT X 668 42.886 29.712 57.044 0.00 0.00 +ATOM 4091 H1 WAT X 668 43.485 29.891 57.769 0.00 0.00 +ATOM 4092 H2 WAT X 668 43.436 29.308 56.373 0.00 0.00 +ATOM 4093 O WAT X 669 32.990 8.278 11.733 0.00 0.00 +ATOM 4094 H1 WAT X 669 32.566 7.505 12.105 0.00 0.00 +ATOM 4095 H2 WAT X 669 33.251 8.797 12.494 0.00 0.00 +ATOM 4096 O WAT X 670 2.020 20.380 56.883 0.00 0.00 +ATOM 4097 H1 WAT X 670 2.839 19.986 56.584 0.00 0.00 +ATOM 4098 H2 WAT X 670 1.390 19.659 56.872 0.00 0.00 +ATOM 4099 O WAT X 671 35.720 60.052 58.145 0.00 0.00 +ATOM 4100 H1 WAT X 671 34.844 60.009 58.526 0.00 0.00 +ATOM 4101 H2 WAT X 671 35.657 59.536 57.341 0.00 0.00 +ATOM 4102 O WAT X 672 49.245 29.454 51.992 0.00 0.00 +ATOM 4103 H1 WAT X 672 48.293 29.451 51.901 0.00 0.00 +ATOM 4104 H2 WAT X 672 49.396 29.386 52.934 0.00 0.00 +ATOM 4105 O WAT X 673 67.527 21.683 7.241 0.00 0.00 +ATOM 4106 H1 WAT X 673 67.455 20.836 6.800 0.00 0.00 +ATOM 4107 H2 WAT X 673 68.385 22.017 6.978 0.00 0.00 +ATOM 4108 O WAT X 674 26.817 59.987 37.267 0.00 0.00 +ATOM 4109 H1 WAT X 674 26.572 60.904 37.390 0.00 0.00 +ATOM 4110 H2 WAT X 674 26.099 59.613 36.757 0.00 0.00 +ATOM 4111 O WAT X 675 72.160 53.187 14.364 0.00 0.00 +ATOM 4112 H1 WAT X 675 71.892 53.359 15.267 0.00 0.00 +ATOM 4113 H2 WAT X 675 73.117 53.185 14.395 0.00 0.00 +ATOM 4114 O WAT X 676 10.609 50.705 11.827 0.00 0.00 +ATOM 4115 H1 WAT X 676 11.411 50.320 11.474 0.00 0.00 +ATOM 4116 H2 WAT X 676 9.960 50.585 11.133 0.00 0.00 +ATOM 4117 O WAT X 677 59.189 12.099 38.479 0.00 0.00 +ATOM 4118 H1 WAT X 677 59.791 12.001 39.217 0.00 0.00 +ATOM 4119 H2 WAT X 677 58.357 12.348 38.880 0.00 0.00 +ATOM 4120 O WAT X 678 1.527 53.430 55.970 0.00 0.00 +ATOM 4121 H1 WAT X 678 1.824 53.232 55.081 0.00 0.00 +ATOM 4122 H2 WAT X 678 0.838 52.788 56.140 0.00 0.00 +ATOM 4123 O WAT X 679 25.610 41.840 44.705 0.00 0.00 +ATOM 4124 H1 WAT X 679 26.053 41.388 45.423 0.00 0.00 +ATOM 4125 H2 WAT X 679 25.933 42.740 44.754 0.00 0.00 +ATOM 4126 O WAT X 680 59.021 59.149 1.558 0.00 0.00 +ATOM 4127 H1 WAT X 680 59.819 58.772 1.929 0.00 0.00 +ATOM 4128 H2 WAT X 680 58.350 58.483 1.708 0.00 0.00 +ATOM 4129 O WAT X 681 72.885 13.221 29.543 0.00 0.00 +ATOM 4130 H1 WAT X 681 73.605 13.327 28.922 0.00 0.00 +ATOM 4131 H2 WAT X 681 73.239 13.533 30.376 0.00 0.00 +ATOM 4132 O WAT X 682 50.317 39.200 39.860 0.00 0.00 +ATOM 4133 H1 WAT X 682 49.588 39.752 40.143 0.00 0.00 +ATOM 4134 H2 WAT X 682 50.904 39.173 40.615 0.00 0.00 +ATOM 4135 O WAT X 683 37.255 53.776 39.825 0.00 0.00 +ATOM 4136 H1 WAT X 683 37.007 53.452 40.691 0.00 0.00 +ATOM 4137 H2 WAT X 683 37.995 53.226 39.567 0.00 0.00 +ATOM 4138 O WAT X 684 1.818 40.773 41.096 0.00 0.00 +ATOM 4139 H1 WAT X 684 1.507 40.343 41.892 0.00 0.00 +ATOM 4140 H2 WAT X 684 2.537 40.220 40.790 0.00 0.00 +ATOM 4141 O WAT X 685 74.252 55.430 23.632 0.00 0.00 +ATOM 4142 H1 WAT X 685 73.565 55.033 24.168 0.00 0.00 +ATOM 4143 H2 WAT X 685 74.371 56.304 24.005 0.00 0.00 +ATOM 4144 O WAT X 686 20.452 15.001 15.696 0.00 0.00 +ATOM 4145 H1 WAT X 686 20.956 15.804 15.820 0.00 0.00 +ATOM 4146 H2 WAT X 686 19.546 15.257 15.871 0.00 0.00 +ATOM 4147 O WAT X 687 47.298 11.493 45.936 0.00 0.00 +ATOM 4148 H1 WAT X 687 47.856 10.797 46.285 0.00 0.00 +ATOM 4149 H2 WAT X 687 46.916 11.904 46.711 0.00 0.00 +ATOM 4150 O WAT X 688 17.945 40.792 43.413 0.00 0.00 +ATOM 4151 H1 WAT X 688 17.816 40.266 42.624 0.00 0.00 +ATOM 4152 H2 WAT X 688 17.817 41.695 43.123 0.00 0.00 +ATOM 4153 O WAT X 689 67.267 1.027 40.220 0.00 0.00 +ATOM 4154 H1 WAT X 689 67.142 0.366 39.539 0.00 0.00 +ATOM 4155 H2 WAT X 689 67.282 1.859 39.747 0.00 0.00 +ATOM 4156 O WAT X 690 55.225 60.366 39.537 0.00 0.00 +ATOM 4157 H1 WAT X 690 55.019 59.621 40.102 0.00 0.00 +ATOM 4158 H2 WAT X 690 56.164 60.508 39.662 0.00 0.00 +ATOM 4159 O WAT X 691 58.736 29.433 7.273 0.00 0.00 +ATOM 4160 H1 WAT X 691 58.633 30.209 6.722 0.00 0.00 +ATOM 4161 H2 WAT X 691 59.649 29.462 7.558 0.00 0.00 +ATOM 4162 O WAT X 692 20.850 25.332 43.159 0.00 0.00 +ATOM 4163 H1 WAT X 692 20.564 24.585 42.634 0.00 0.00 +ATOM 4164 H2 WAT X 692 20.321 26.065 42.842 0.00 0.00 +ATOM 4165 O WAT X 693 41.463 38.087 14.913 0.00 0.00 +ATOM 4166 H1 WAT X 693 42.377 37.810 14.852 0.00 0.00 +ATOM 4167 H2 WAT X 693 41.475 38.819 15.530 0.00 0.00 +ATOM 4168 O WAT X 694 22.230 38.389 -0.106 0.00 0.00 +ATOM 4169 H1 WAT X 694 22.197 39.212 0.381 0.00 0.00 +ATOM 4170 H2 WAT X 694 21.347 38.028 -0.027 0.00 0.00 +ATOM 4171 O WAT X 695 68.000 7.996 33.150 0.00 0.00 +ATOM 4172 H1 WAT X 695 68.376 7.893 34.025 0.00 0.00 +ATOM 4173 H2 WAT X 695 67.474 8.793 33.208 0.00 0.00 +ATOM 4174 O WAT X 696 13.211 50.071 57.408 0.00 0.00 +ATOM 4175 H1 WAT X 696 12.807 50.922 57.576 0.00 0.00 +ATOM 4176 H2 WAT X 696 13.784 50.223 56.656 0.00 0.00 +ATOM 4177 O WAT X 697 54.720 0.887 44.875 0.00 0.00 +ATOM 4178 H1 WAT X 697 55.451 0.805 45.488 0.00 0.00 +ATOM 4179 H2 WAT X 697 54.415 -0.011 44.746 0.00 0.00 +ATOM 4180 O WAT X 698 77.457 23.952 20.106 0.00 0.00 +ATOM 4181 H1 WAT X 698 78.339 23.590 20.026 0.00 0.00 +ATOM 4182 H2 WAT X 698 77.289 24.363 19.258 0.00 0.00 +ATOM 4183 O WAT X 699 21.140 26.005 52.182 0.00 0.00 +ATOM 4184 H1 WAT X 699 20.411 25.393 52.083 0.00 0.00 +ATOM 4185 H2 WAT X 699 20.904 26.539 52.940 0.00 0.00 +ATOM 4186 O WAT X 700 73.439 53.240 25.619 0.00 0.00 +ATOM 4187 H1 WAT X 700 72.809 52.768 25.075 0.00 0.00 +ATOM 4188 H2 WAT X 700 74.187 52.647 25.688 0.00 0.00 +ATOM 4189 O WAT X 701 3.427 62.808 16.238 0.00 0.00 +ATOM 4190 H1 WAT X 701 3.573 63.432 15.527 0.00 0.00 +ATOM 4191 H2 WAT X 701 3.726 61.970 15.887 0.00 0.00 +ATOM 4192 O WAT X 702 65.494 10.993 36.234 0.00 0.00 +ATOM 4193 H1 WAT X 702 65.135 10.368 36.864 0.00 0.00 +ATOM 4194 H2 WAT X 702 64.744 11.527 35.973 0.00 0.00 +ATOM 4195 O WAT X 703 17.043 5.771 46.043 0.00 0.00 +ATOM 4196 H1 WAT X 703 16.266 5.213 46.003 0.00 0.00 +ATOM 4197 H2 WAT X 703 16.768 6.529 46.560 0.00 0.00 +ATOM 4198 O WAT X 704 58.003 2.634 27.506 0.00 0.00 +ATOM 4199 H1 WAT X 704 58.803 2.917 27.063 0.00 0.00 +ATOM 4200 H2 WAT X 704 57.437 2.320 26.801 0.00 0.00 +ATOM 4201 O WAT X 705 46.664 32.023 49.762 0.00 0.00 +ATOM 4202 H1 WAT X 705 46.689 31.088 49.561 0.00 0.00 +ATOM 4203 H2 WAT X 705 46.687 32.064 50.718 0.00 0.00 +ATOM 4204 O WAT X 706 31.064 61.027 36.435 0.00 0.00 +ATOM 4205 H1 WAT X 706 30.617 60.345 35.933 0.00 0.00 +ATOM 4206 H2 WAT X 706 30.619 61.837 36.188 0.00 0.00 +ATOM 4207 O WAT X 707 39.396 56.914 16.081 0.00 0.00 +ATOM 4208 H1 WAT X 707 39.385 56.122 15.543 0.00 0.00 +ATOM 4209 H2 WAT X 707 38.819 57.524 15.621 0.00 0.00 +ATOM 4210 O WAT X 708 1.462 15.851 2.176 0.00 0.00 +ATOM 4211 H1 WAT X 708 0.549 15.617 2.007 0.00 0.00 +ATOM 4212 H2 WAT X 708 1.471 16.137 3.089 0.00 0.00 +ATOM 4213 O WAT X 709 41.332 28.710 53.769 0.00 0.00 +ATOM 4214 H1 WAT X 709 42.105 29.257 53.634 0.00 0.00 +ATOM 4215 H2 WAT X 709 41.665 27.813 53.741 0.00 0.00 +ATOM 4216 O WAT X 710 56.435 43.193 13.801 0.00 0.00 +ATOM 4217 H1 WAT X 710 55.551 43.010 13.483 0.00 0.00 +ATOM 4218 H2 WAT X 710 56.362 44.040 14.239 0.00 0.00 +ATOM 4219 O WAT X 711 43.637 49.224 44.916 0.00 0.00 +ATOM 4220 H1 WAT X 711 43.131 48.518 45.318 0.00 0.00 +ATOM 4221 H2 WAT X 711 43.214 50.026 45.221 0.00 0.00 +ATOM 4222 O WAT X 712 30.923 18.189 52.563 0.00 0.00 +ATOM 4223 H1 WAT X 712 30.317 18.627 53.160 0.00 0.00 +ATOM 4224 H2 WAT X 712 30.450 17.410 52.271 0.00 0.00 +ATOM 4225 O WAT X 713 2.350 31.658 54.031 0.00 0.00 +ATOM 4226 H1 WAT X 713 1.965 30.789 54.146 0.00 0.00 +ATOM 4227 H2 WAT X 713 3.276 31.541 54.244 0.00 0.00 +ATOM 4228 O WAT X 714 5.646 53.449 24.187 0.00 0.00 +ATOM 4229 H1 WAT X 714 4.706 53.627 24.200 0.00 0.00 +ATOM 4230 H2 WAT X 714 5.940 53.776 23.337 0.00 0.00 +ATOM 4231 O WAT X 715 58.326 11.593 1.684 0.00 0.00 +ATOM 4232 H1 WAT X 715 57.789 12.385 1.660 0.00 0.00 +ATOM 4233 H2 WAT X 715 59.132 11.863 2.123 0.00 0.00 +ATOM 4234 O WAT X 716 74.906 51.450 55.417 0.00 0.00 +ATOM 4235 H1 WAT X 716 74.321 50.714 55.595 0.00 0.00 +ATOM 4236 H2 WAT X 716 74.843 51.582 54.471 0.00 0.00 +ATOM 4237 O WAT X 717 65.445 60.973 57.317 0.00 0.00 +ATOM 4238 H1 WAT X 717 65.763 60.225 57.824 0.00 0.00 +ATOM 4239 H2 WAT X 717 66.205 61.549 57.238 0.00 0.00 +ATOM 4240 O WAT X 718 6.524 7.039 24.228 0.00 0.00 +ATOM 4241 H1 WAT X 718 6.679 6.098 24.151 0.00 0.00 +ATOM 4242 H2 WAT X 718 6.597 7.368 23.333 0.00 0.00 +ATOM 4243 O WAT X 719 3.200 22.833 49.600 0.00 0.00 +ATOM 4244 H1 WAT X 719 3.989 22.295 49.669 0.00 0.00 +ATOM 4245 H2 WAT X 719 3.310 23.314 48.779 0.00 0.00 +ATOM 4246 O WAT X 720 76.070 34.092 41.845 0.00 0.00 +ATOM 4247 H1 WAT X 720 75.571 33.304 42.064 0.00 0.00 +ATOM 4248 H2 WAT X 720 75.995 34.647 42.621 0.00 0.00 +ATOM 4249 O WAT X 721 17.392 42.007 21.426 0.00 0.00 +ATOM 4250 H1 WAT X 721 17.086 42.725 20.870 0.00 0.00 +ATOM 4251 H2 WAT X 721 17.605 41.304 20.812 0.00 0.00 +ATOM 4252 O WAT X 722 4.528 2.628 48.311 0.00 0.00 +ATOM 4253 H1 WAT X 722 4.561 3.490 47.896 0.00 0.00 +ATOM 4254 H2 WAT X 722 5.338 2.575 48.818 0.00 0.00 +ATOM 4255 O WAT X 723 40.023 53.862 32.739 0.00 0.00 +ATOM 4256 H1 WAT X 723 39.668 54.445 33.411 0.00 0.00 +ATOM 4257 H2 WAT X 723 40.296 54.448 32.033 0.00 0.00 +ATOM 4258 O WAT X 724 60.860 8.291 33.315 0.00 0.00 +ATOM 4259 H1 WAT X 724 60.650 7.371 33.472 0.00 0.00 +ATOM 4260 H2 WAT X 724 61.736 8.403 33.685 0.00 0.00 +ATOM 4261 O WAT X 725 4.309 50.744 33.727 0.00 0.00 +ATOM 4262 H1 WAT X 725 4.760 51.587 33.690 0.00 0.00 +ATOM 4263 H2 WAT X 725 3.931 50.713 34.606 0.00 0.00 +ATOM 4264 O WAT X 726 4.189 46.201 33.558 0.00 0.00 +ATOM 4265 H1 WAT X 726 4.361 45.536 32.891 0.00 0.00 +ATOM 4266 H2 WAT X 726 3.243 46.161 33.697 0.00 0.00 +ATOM 4267 O WAT X 727 37.753 16.343 26.761 0.00 0.00 +ATOM 4268 H1 WAT X 727 37.089 15.664 26.881 0.00 0.00 +ATOM 4269 H2 WAT X 727 38.475 16.074 27.329 0.00 0.00 +ATOM 4270 O WAT X 728 9.041 59.008 45.178 0.00 0.00 +ATOM 4271 H1 WAT X 728 8.305 58.618 45.650 0.00 0.00 +ATOM 4272 H2 WAT X 728 8.799 59.928 45.075 0.00 0.00 +ATOM 4273 O WAT X 729 62.444 33.023 49.945 0.00 0.00 +ATOM 4274 H1 WAT X 729 62.763 33.925 49.953 0.00 0.00 +ATOM 4275 H2 WAT X 729 62.978 32.586 49.282 0.00 0.00 +ATOM 4276 O WAT X 730 77.720 42.007 17.451 0.00 0.00 +ATOM 4277 H1 WAT X 730 78.230 42.511 16.817 0.00 0.00 +ATOM 4278 H2 WAT X 730 77.339 42.666 18.031 0.00 0.00 +ATOM 4279 O WAT X 731 2.324 61.676 57.625 0.00 0.00 +ATOM 4280 H1 WAT X 731 1.800 60.975 58.011 0.00 0.00 +ATOM 4281 H2 WAT X 731 3.207 61.312 57.568 0.00 0.00 +ATOM 4282 O WAT X 732 50.263 20.666 11.104 0.00 0.00 +ATOM 4283 H1 WAT X 732 49.497 20.171 10.814 0.00 0.00 +ATOM 4284 H2 WAT X 732 50.892 20.576 10.388 0.00 0.00 +ATOM 4285 O WAT X 733 67.013 57.142 56.737 0.00 0.00 +ATOM 4286 H1 WAT X 733 67.847 56.920 56.324 0.00 0.00 +ATOM 4287 H2 WAT X 733 67.252 57.445 57.613 0.00 0.00 +ATOM 4288 O WAT X 734 65.089 54.514 26.567 0.00 0.00 +ATOM 4289 H1 WAT X 734 65.658 55.230 26.850 0.00 0.00 +ATOM 4290 H2 WAT X 734 65.153 53.866 27.268 0.00 0.00 +ATOM 4291 O WAT X 735 76.612 51.157 9.844 0.00 0.00 +ATOM 4292 H1 WAT X 735 77.159 50.928 9.092 0.00 0.00 +ATOM 4293 H2 WAT X 735 75.793 51.467 9.459 0.00 0.00 +ATOM 4294 O WAT X 736 40.118 2.008 36.843 0.00 0.00 +ATOM 4295 H1 WAT X 736 40.581 2.428 36.117 0.00 0.00 +ATOM 4296 H2 WAT X 736 39.842 2.733 37.403 0.00 0.00 +ATOM 4297 O WAT X 737 66.311 25.307 44.550 0.00 0.00 +ATOM 4298 H1 WAT X 737 65.955 25.938 43.923 0.00 0.00 +ATOM 4299 H2 WAT X 737 66.107 24.452 44.171 0.00 0.00 +ATOM 4300 O WAT X 738 60.842 57.600 50.308 0.00 0.00 +ATOM 4301 H1 WAT X 738 61.176 58.483 50.154 0.00 0.00 +ATOM 4302 H2 WAT X 738 60.385 57.372 49.498 0.00 0.00 +ATOM 4303 O WAT X 739 28.342 46.099 49.622 0.00 0.00 +ATOM 4304 H1 WAT X 739 27.824 45.327 49.396 0.00 0.00 +ATOM 4305 H2 WAT X 739 27.741 46.653 50.120 0.00 0.00 +ATOM 4306 O WAT X 740 10.289 43.386 23.342 0.00 0.00 +ATOM 4307 H1 WAT X 740 9.371 43.528 23.572 0.00 0.00 +ATOM 4308 H2 WAT X 740 10.274 42.634 22.749 0.00 0.00 +ATOM 4309 O WAT X 741 24.573 50.134 47.057 0.00 0.00 +ATOM 4310 H1 WAT X 741 24.033 49.642 47.676 0.00 0.00 +ATOM 4311 H2 WAT X 741 23.951 50.685 46.581 0.00 0.00 +ATOM 4312 O WAT X 742 17.236 48.501 45.483 0.00 0.00 +ATOM 4313 H1 WAT X 742 16.698 48.337 46.257 0.00 0.00 +ATOM 4314 H2 WAT X 742 18.132 48.533 45.817 0.00 0.00 +ATOM 4315 O WAT X 743 26.947 13.452 57.101 0.00 0.00 +ATOM 4316 H1 WAT X 743 26.303 14.002 56.654 0.00 0.00 +ATOM 4317 H2 WAT X 743 27.566 14.072 57.485 0.00 0.00 +ATOM 4318 O WAT X 744 44.980 51.212 40.989 0.00 0.00 +ATOM 4319 H1 WAT X 744 45.209 51.943 41.563 0.00 0.00 +ATOM 4320 H2 WAT X 744 45.823 50.862 40.700 0.00 0.00 +ATOM 4321 O WAT X 745 56.769 49.805 53.890 0.00 0.00 +ATOM 4322 H1 WAT X 745 57.082 49.841 54.793 0.00 0.00 +ATOM 4323 H2 WAT X 745 57.549 49.602 53.373 0.00 0.00 +ATOM 4324 O WAT X 746 1.296 45.254 34.430 0.00 0.00 +ATOM 4325 H1 WAT X 746 1.127 44.743 33.639 0.00 0.00 +ATOM 4326 H2 WAT X 746 0.652 45.962 34.400 0.00 0.00 +ATOM 4327 O WAT X 747 29.778 52.665 48.102 0.00 0.00 +ATOM 4328 H1 WAT X 747 30.182 51.816 47.920 0.00 0.00 +ATOM 4329 H2 WAT X 747 30.013 53.209 47.350 0.00 0.00 +ATOM 4330 O WAT X 748 67.444 47.454 50.327 0.00 0.00 +ATOM 4331 H1 WAT X 748 67.295 47.941 51.138 0.00 0.00 +ATOM 4332 H2 WAT X 748 66.605 47.031 50.145 0.00 0.00 +ATOM 4333 O WAT X 749 26.683 35.130 55.541 0.00 0.00 +ATOM 4334 H1 WAT X 749 27.381 35.116 56.197 0.00 0.00 +ATOM 4335 H2 WAT X 749 26.807 35.957 55.076 0.00 0.00 +ATOM 4336 O WAT X 750 5.527 20.065 24.751 0.00 0.00 +ATOM 4337 H1 WAT X 750 6.126 19.427 25.138 0.00 0.00 +ATOM 4338 H2 WAT X 750 4.683 19.881 25.162 0.00 0.00 +ATOM 4339 O WAT X 751 5.403 31.604 20.802 0.00 0.00 +ATOM 4340 H1 WAT X 751 5.878 32.288 21.274 0.00 0.00 +ATOM 4341 H2 WAT X 751 4.805 31.236 21.452 0.00 0.00 +ATOM 4342 O WAT X 752 0.285 34.463 11.999 0.00 0.00 +ATOM 4343 H1 WAT X 752 -0.293 34.277 12.739 0.00 0.00 +ATOM 4344 H2 WAT X 752 0.758 33.643 11.853 0.00 0.00 +ATOM 4345 O WAT X 753 61.103 56.876 54.704 0.00 0.00 +ATOM 4346 H1 WAT X 753 60.894 56.768 55.632 0.00 0.00 +ATOM 4347 H2 WAT X 753 60.302 57.228 54.317 0.00 0.00 +ATOM 4348 O WAT X 754 9.744 12.419 15.320 0.00 0.00 +ATOM 4349 H1 WAT X 754 8.867 12.794 15.393 0.00 0.00 +ATOM 4350 H2 WAT X 754 10.249 13.080 14.846 0.00 0.00 +ATOM 4351 O WAT X 755 76.002 61.986 20.014 0.00 0.00 +ATOM 4352 H1 WAT X 755 76.547 61.238 19.772 0.00 0.00 +ATOM 4353 H2 WAT X 755 76.208 62.144 20.935 0.00 0.00 +ATOM 4354 O WAT X 756 6.667 42.631 12.433 0.00 0.00 +ATOM 4355 H1 WAT X 756 5.946 42.427 13.028 0.00 0.00 +ATOM 4356 H2 WAT X 756 6.571 42.003 11.717 0.00 0.00 +ATOM 4357 O WAT X 757 36.319 14.383 1.032 0.00 0.00 +ATOM 4358 H1 WAT X 757 35.956 14.676 1.867 0.00 0.00 +ATOM 4359 H2 WAT X 757 37.211 14.107 1.242 0.00 0.00 +ATOM 4360 O WAT X 758 53.346 22.505 23.688 0.00 0.00 +ATOM 4361 H1 WAT X 758 52.893 21.687 23.485 0.00 0.00 +ATOM 4362 H2 WAT X 758 52.924 22.820 24.488 0.00 0.00 +ATOM 4363 O WAT X 759 45.876 62.902 48.336 0.00 0.00 +ATOM 4364 H1 WAT X 759 46.381 62.120 48.115 0.00 0.00 +ATOM 4365 H2 WAT X 759 45.947 62.971 49.288 0.00 0.00 +ATOM 4366 O WAT X 760 29.356 42.787 7.070 0.00 0.00 +ATOM 4367 H1 WAT X 760 28.573 42.248 6.958 0.00 0.00 +ATOM 4368 H2 WAT X 760 29.827 42.378 7.796 0.00 0.00 +ATOM 4369 O WAT X 761 51.030 23.700 14.853 0.00 0.00 +ATOM 4370 H1 WAT X 761 50.162 23.750 15.253 0.00 0.00 +ATOM 4371 H2 WAT X 761 51.360 24.598 14.883 0.00 0.00 +ATOM 4372 O WAT X 762 8.104 8.246 5.331 0.00 0.00 +ATOM 4373 H1 WAT X 762 8.830 8.212 5.954 0.00 0.00 +ATOM 4374 H2 WAT X 762 7.380 8.629 5.827 0.00 0.00 +ATOM 4375 O WAT X 763 64.836 15.249 47.529 0.00 0.00 +ATOM 4376 H1 WAT X 763 64.048 15.757 47.721 0.00 0.00 +ATOM 4377 H2 WAT X 763 64.726 14.439 48.028 0.00 0.00 +ATOM 4378 O WAT X 764 69.879 15.969 6.577 0.00 0.00 +ATOM 4379 H1 WAT X 764 68.932 15.839 6.623 0.00 0.00 +ATOM 4380 H2 WAT X 764 70.213 15.592 7.391 0.00 0.00 +ATOM 4381 O WAT X 765 11.582 28.912 50.709 0.00 0.00 +ATOM 4382 H1 WAT X 765 11.191 29.661 51.158 0.00 0.00 +ATOM 4383 H2 WAT X 765 12.290 29.289 50.187 0.00 0.00 +ATOM 4384 O WAT X 766 31.971 7.137 9.006 0.00 0.00 +ATOM 4385 H1 WAT X 766 32.208 7.812 9.642 0.00 0.00 +ATOM 4386 H2 WAT X 766 32.129 7.544 8.155 0.00 0.00 +ATOM 4387 O WAT X 767 63.549 24.460 36.016 0.00 0.00 +ATOM 4388 H1 WAT X 767 63.186 23.588 35.863 0.00 0.00 +ATOM 4389 H2 WAT X 767 64.131 24.349 36.768 0.00 0.00 +ATOM 4390 O WAT X 768 22.921 47.764 11.440 0.00 0.00 +ATOM 4391 H1 WAT X 768 22.615 48.402 10.795 0.00 0.00 +ATOM 4392 H2 WAT X 768 23.875 47.821 11.399 0.00 0.00 +ATOM 4393 O WAT X 769 24.489 57.848 13.235 0.00 0.00 +ATOM 4394 H1 WAT X 769 23.600 57.938 13.578 0.00 0.00 +ATOM 4395 H2 WAT X 769 24.368 57.645 12.307 0.00 0.00 +ATOM 4396 O WAT X 770 21.067 59.756 44.844 0.00 0.00 +ATOM 4397 H1 WAT X 770 20.414 59.174 45.232 0.00 0.00 +ATOM 4398 H2 WAT X 770 20.704 60.634 44.960 0.00 0.00 +ATOM 4399 O WAT X 771 23.706 28.434 7.980 0.00 0.00 +ATOM 4400 H1 WAT X 771 23.087 28.679 8.668 0.00 0.00 +ATOM 4401 H2 WAT X 771 23.162 28.039 7.299 0.00 0.00 +ATOM 4402 O WAT X 772 21.228 14.909 10.277 0.00 0.00 +ATOM 4403 H1 WAT X 772 21.593 14.028 10.200 0.00 0.00 +ATOM 4404 H2 WAT X 772 20.378 14.780 10.697 0.00 0.00 +ATOM 4405 O WAT X 773 62.493 34.401 44.352 0.00 0.00 +ATOM 4406 H1 WAT X 773 63.296 34.119 44.791 0.00 0.00 +ATOM 4407 H2 WAT X 773 62.777 35.096 43.758 0.00 0.00 +ATOM 4408 O WAT X 774 26.432 24.707 7.200 0.00 0.00 +ATOM 4409 H1 WAT X 774 26.754 25.153 7.983 0.00 0.00 +ATOM 4410 H2 WAT X 774 27.213 24.309 6.814 0.00 0.00 +ATOM 4411 O WAT X 775 75.566 32.512 17.391 0.00 0.00 +ATOM 4412 H1 WAT X 775 76.313 33.054 17.643 0.00 0.00 +ATOM 4413 H2 WAT X 775 74.801 33.010 17.678 0.00 0.00 +ATOM 4414 O WAT X 776 8.076 37.715 38.384 0.00 0.00 +ATOM 4415 H1 WAT X 776 8.738 37.038 38.243 0.00 0.00 +ATOM 4416 H2 WAT X 776 8.373 38.181 39.166 0.00 0.00 +ATOM 4417 O WAT X 777 58.963 51.747 20.210 0.00 0.00 +ATOM 4418 H1 WAT X 777 59.490 51.141 20.731 0.00 0.00 +ATOM 4419 H2 WAT X 777 58.074 51.394 20.259 0.00 0.00 +ATOM 4420 O WAT X 778 75.606 30.074 23.725 0.00 0.00 +ATOM 4421 H1 WAT X 778 76.113 30.088 22.914 0.00 0.00 +ATOM 4422 H2 WAT X 778 76.140 30.565 24.350 0.00 0.00 +ATOM 4423 O WAT X 779 5.079 11.765 35.489 0.00 0.00 +ATOM 4424 H1 WAT X 779 5.496 12.083 36.289 0.00 0.00 +ATOM 4425 H2 WAT X 779 4.172 11.597 35.742 0.00 0.00 +ATOM 4426 O WAT X 780 73.400 21.272 50.824 0.00 0.00 +ATOM 4427 H1 WAT X 780 73.537 22.162 50.499 0.00 0.00 +ATOM 4428 H2 WAT X 780 73.738 20.708 50.129 0.00 0.00 +ATOM 4429 O WAT X 781 54.227 43.931 10.585 0.00 0.00 +ATOM 4430 H1 WAT X 781 54.753 44.650 10.935 0.00 0.00 +ATOM 4431 H2 WAT X 781 54.638 43.141 10.936 0.00 0.00 +ATOM 4432 O WAT X 782 75.574 9.204 19.349 0.00 0.00 +ATOM 4433 H1 WAT X 782 75.429 10.036 18.897 0.00 0.00 +ATOM 4434 H2 WAT X 782 74.695 8.864 19.513 0.00 0.00 +ATOM 4435 O WAT X 783 11.484 31.979 54.984 0.00 0.00 +ATOM 4436 H1 WAT X 783 10.753 31.609 55.479 0.00 0.00 +ATOM 4437 H2 WAT X 783 11.335 32.924 55.008 0.00 0.00 +ATOM 4438 O WAT X 784 9.228 45.258 50.962 0.00 0.00 +ATOM 4439 H1 WAT X 784 9.714 45.809 50.348 0.00 0.00 +ATOM 4440 H2 WAT X 784 8.427 45.026 50.493 0.00 0.00 +ATOM 4441 O WAT X 785 23.942 2.796 5.894 0.00 0.00 +ATOM 4442 H1 WAT X 785 23.560 1.955 6.141 0.00 0.00 +ATOM 4443 H2 WAT X 785 24.738 2.863 6.421 0.00 0.00 +ATOM 4444 O WAT X 786 1.106 39.650 24.193 0.00 0.00 +ATOM 4445 H1 WAT X 786 0.642 38.835 24.002 0.00 0.00 +ATOM 4446 H2 WAT X 786 0.797 39.903 25.063 0.00 0.00 +ATOM 4447 O WAT X 787 39.877 57.036 48.161 0.00 0.00 +ATOM 4448 H1 WAT X 787 39.604 57.620 48.869 0.00 0.00 +ATOM 4449 H2 WAT X 787 40.224 56.264 48.609 0.00 0.00 +ATOM 4450 O WAT X 788 33.253 8.346 34.111 0.00 0.00 +ATOM 4451 H1 WAT X 788 33.914 8.467 34.792 0.00 0.00 +ATOM 4452 H2 WAT X 788 32.592 7.785 34.515 0.00 0.00 +ATOM 4453 O WAT X 789 68.974 59.039 19.810 0.00 0.00 +ATOM 4454 H1 WAT X 789 69.336 58.241 20.194 0.00 0.00 +ATOM 4455 H2 WAT X 789 68.056 58.829 19.641 0.00 0.00 +ATOM 4456 O WAT X 790 61.995 55.803 52.129 0.00 0.00 +ATOM 4457 H1 WAT X 790 61.484 56.144 51.395 0.00 0.00 +ATOM 4458 H2 WAT X 790 61.457 55.983 52.900 0.00 0.00 +ATOM 4459 O WAT X 791 34.138 3.847 47.020 0.00 0.00 +ATOM 4460 H1 WAT X 791 34.779 4.006 47.713 0.00 0.00 +ATOM 4461 H2 WAT X 791 33.553 4.604 47.057 0.00 0.00 +ATOM 4462 O WAT X 792 27.714 49.504 49.842 0.00 0.00 +ATOM 4463 H1 WAT X 792 27.711 49.372 50.790 0.00 0.00 +ATOM 4464 H2 WAT X 792 27.049 48.898 49.513 0.00 0.00 +ATOM 4465 O WAT X 793 74.816 4.824 38.690 0.00 0.00 +ATOM 4466 H1 WAT X 793 75.493 4.207 38.967 0.00 0.00 +ATOM 4467 H2 WAT X 793 73.993 4.354 38.825 0.00 0.00 +ATOM 4468 O WAT X 794 67.738 54.050 35.380 0.00 0.00 +ATOM 4469 H1 WAT X 794 67.321 53.945 36.235 0.00 0.00 +ATOM 4470 H2 WAT X 794 67.777 53.162 35.023 0.00 0.00 +ATOM 4471 O WAT X 795 51.704 22.850 12.458 0.00 0.00 +ATOM 4472 H1 WAT X 795 51.206 22.057 12.257 0.00 0.00 +ATOM 4473 H2 WAT X 795 51.377 23.128 13.313 0.00 0.00 +ATOM 4474 O WAT X 796 69.658 46.807 2.654 0.00 0.00 +ATOM 4475 H1 WAT X 796 68.947 46.641 3.274 0.00 0.00 +ATOM 4476 H2 WAT X 796 69.235 46.794 1.796 0.00 0.00 +ATOM 4477 O WAT X 797 8.705 15.363 7.913 0.00 0.00 +ATOM 4478 H1 WAT X 797 8.816 14.907 8.748 0.00 0.00 +ATOM 4479 H2 WAT X 797 9.491 15.142 7.414 0.00 0.00 +ATOM 4480 O WAT X 798 70.770 4.539 29.823 0.00 0.00 +ATOM 4481 H1 WAT X 798 70.194 3.877 29.441 0.00 0.00 +ATOM 4482 H2 WAT X 798 70.260 4.914 30.541 0.00 0.00 +ATOM 4483 O WAT X 799 35.996 -0.195 13.330 0.00 0.00 +ATOM 4484 H1 WAT X 799 36.941 -0.085 13.429 0.00 0.00 +ATOM 4485 H2 WAT X 799 35.652 0.698 13.308 0.00 0.00 +ATOM 4486 O WAT X 800 75.330 15.554 52.395 0.00 0.00 +ATOM 4487 H1 WAT X 800 74.928 14.897 51.827 0.00 0.00 +ATOM 4488 H2 WAT X 800 75.451 16.318 51.831 0.00 0.00 +ATOM 4489 O WAT X 801 76.885 20.883 23.735 0.00 0.00 +ATOM 4490 H1 WAT X 801 77.688 20.721 24.230 0.00 0.00 +ATOM 4491 H2 WAT X 801 76.737 20.073 23.246 0.00 0.00 +ATOM 4492 O WAT X 802 43.817 15.006 4.647 0.00 0.00 +ATOM 4493 H1 WAT X 802 44.763 15.087 4.769 0.00 0.00 +ATOM 4494 H2 WAT X 802 43.611 15.635 3.956 0.00 0.00 +ATOM 4495 O WAT X 803 0.485 56.368 11.538 0.00 0.00 +ATOM 4496 H1 WAT X 803 0.476 56.391 12.495 0.00 0.00 +ATOM 4497 H2 WAT X 803 1.222 56.927 11.292 0.00 0.00 +ATOM 4498 O WAT X 804 18.209 61.024 34.615 0.00 0.00 +ATOM 4499 H1 WAT X 804 17.719 61.761 34.250 0.00 0.00 +ATOM 4500 H2 WAT X 804 19.116 61.186 34.354 0.00 0.00 +ATOM 4501 O WAT X 805 23.474 11.852 23.994 0.00 0.00 +ATOM 4502 H1 WAT X 805 23.532 11.611 23.069 0.00 0.00 +ATOM 4503 H2 WAT X 805 24.335 11.634 24.351 0.00 0.00 +ATOM 4504 O WAT X 806 63.515 22.344 52.319 0.00 0.00 +ATOM 4505 H1 WAT X 806 64.258 22.231 52.912 0.00 0.00 +ATOM 4506 H2 WAT X 806 63.160 21.463 52.209 0.00 0.00 +ATOM 4507 O WAT X 807 47.057 26.681 18.407 0.00 0.00 +ATOM 4508 H1 WAT X 807 47.740 26.550 19.065 0.00 0.00 +ATOM 4509 H2 WAT X 807 47.503 27.123 17.684 0.00 0.00 +ATOM 4510 O WAT X 808 64.944 52.169 28.724 0.00 0.00 +ATOM 4511 H1 WAT X 808 64.150 51.679 28.934 0.00 0.00 +ATOM 4512 H2 WAT X 808 65.152 52.645 29.528 0.00 0.00 +ATOM 4513 O WAT X 809 70.047 48.603 6.867 0.00 0.00 +ATOM 4514 H1 WAT X 809 70.507 47.805 6.605 0.00 0.00 +ATOM 4515 H2 WAT X 809 69.682 48.397 7.728 0.00 0.00 +ATOM 4516 O WAT X 810 65.078 35.701 33.849 0.00 0.00 +ATOM 4517 H1 WAT X 810 64.576 36.344 33.349 0.00 0.00 +ATOM 4518 H2 WAT X 810 65.929 36.117 33.987 0.00 0.00 +ATOM 4519 O WAT X 811 63.439 16.906 16.316 0.00 0.00 +ATOM 4520 H1 WAT X 811 63.251 17.824 16.122 0.00 0.00 +ATOM 4521 H2 WAT X 811 62.893 16.706 17.076 0.00 0.00 +ATOM 4522 O WAT X 812 55.858 8.944 53.447 0.00 0.00 +ATOM 4523 H1 WAT X 812 55.093 8.779 52.896 0.00 0.00 +ATOM 4524 H2 WAT X 812 56.507 9.315 52.849 0.00 0.00 +ATOM 4525 O WAT X 813 65.149 4.520 43.941 0.00 0.00 +ATOM 4526 H1 WAT X 813 65.014 3.618 43.652 0.00 0.00 +ATOM 4527 H2 WAT X 813 66.075 4.557 44.183 0.00 0.00 +ATOM 4528 O WAT X 814 69.619 27.998 45.524 0.00 0.00 +ATOM 4529 H1 WAT X 814 70.301 28.668 45.469 0.00 0.00 +ATOM 4530 H2 WAT X 814 69.081 28.140 44.746 0.00 0.00 +ATOM 4531 O WAT X 815 76.373 62.055 15.935 0.00 0.00 +ATOM 4532 H1 WAT X 815 75.523 62.197 16.351 0.00 0.00 +ATOM 4533 H2 WAT X 815 76.536 61.117 16.038 0.00 0.00 +ATOM 4534 O WAT X 816 75.181 16.815 57.619 0.00 0.00 +ATOM 4535 H1 WAT X 816 75.702 17.353 57.022 0.00 0.00 +ATOM 4536 H2 WAT X 816 75.142 17.325 58.428 0.00 0.00 +ATOM 4537 O WAT X 817 44.173 56.861 22.898 0.00 0.00 +ATOM 4538 H1 WAT X 817 43.291 56.561 22.679 0.00 0.00 +ATOM 4539 H2 WAT X 817 44.753 56.260 22.430 0.00 0.00 +ATOM 4540 O WAT X 818 5.949 52.585 56.368 0.00 0.00 +ATOM 4541 H1 WAT X 818 5.189 52.853 56.885 0.00 0.00 +ATOM 4542 H2 WAT X 818 6.493 52.090 56.981 0.00 0.00 +ATOM 4543 O WAT X 819 52.335 39.212 41.644 0.00 0.00 +ATOM 4544 H1 WAT X 819 52.160 39.970 42.201 0.00 0.00 +ATOM 4545 H2 WAT X 819 53.235 38.963 41.853 0.00 0.00 +ATOM 4546 O WAT X 820 48.915 56.925 39.026 0.00 0.00 +ATOM 4547 H1 WAT X 820 49.005 56.007 38.771 0.00 0.00 +ATOM 4548 H2 WAT X 820 48.351 57.307 38.354 0.00 0.00 +ATOM 4549 O WAT X 821 12.209 16.158 23.747 0.00 0.00 +ATOM 4550 H1 WAT X 821 12.379 16.301 22.815 0.00 0.00 +ATOM 4551 H2 WAT X 821 13.078 16.131 24.147 0.00 0.00 +ATOM 4552 O WAT X 822 73.603 15.300 1.837 0.00 0.00 +ATOM 4553 H1 WAT X 822 73.272 15.803 1.092 0.00 0.00 +ATOM 4554 H2 WAT X 822 72.930 15.398 2.510 0.00 0.00 +ATOM 4555 O WAT X 823 32.270 32.952 56.417 0.00 0.00 +ATOM 4556 H1 WAT X 823 32.899 33.279 57.061 0.00 0.00 +ATOM 4557 H2 WAT X 823 32.217 33.646 55.760 0.00 0.00 +ATOM 4558 O WAT X 824 63.649 34.587 18.566 0.00 0.00 +ATOM 4559 H1 WAT X 824 62.693 34.560 18.594 0.00 0.00 +ATOM 4560 H2 WAT X 824 63.908 34.834 19.454 0.00 0.00 +ATOM 4561 O WAT X 825 36.950 53.386 42.707 0.00 0.00 +ATOM 4562 H1 WAT X 825 36.883 52.660 43.328 0.00 0.00 +ATOM 4563 H2 WAT X 825 37.654 53.934 43.056 0.00 0.00 +ATOM 4564 O WAT X 826 74.989 6.342 33.574 0.00 0.00 +ATOM 4565 H1 WAT X 826 75.364 6.099 32.727 0.00 0.00 +ATOM 4566 H2 WAT X 826 74.788 5.506 33.995 0.00 0.00 +ATOM 4567 O WAT X 827 6.332 25.667 43.228 0.00 0.00 +ATOM 4568 H1 WAT X 827 6.890 26.255 42.720 0.00 0.00 +ATOM 4569 H2 WAT X 827 6.795 25.556 44.059 0.00 0.00 +ATOM 4570 O WAT X 828 70.820 57.256 21.242 0.00 0.00 +ATOM 4571 H1 WAT X 828 71.508 56.591 21.264 0.00 0.00 +ATOM 4572 H2 WAT X 828 71.111 57.922 21.865 0.00 0.00 +ATOM 4573 O WAT X 829 54.480 10.214 49.555 0.00 0.00 +ATOM 4574 H1 WAT X 829 55.249 9.726 49.848 0.00 0.00 +ATOM 4575 H2 WAT X 829 54.699 11.130 49.725 0.00 0.00 +ATOM 4576 O WAT X 830 47.325 18.213 46.445 0.00 0.00 +ATOM 4577 H1 WAT X 830 46.586 17.981 45.882 0.00 0.00 +ATOM 4578 H2 WAT X 830 48.092 17.872 45.985 0.00 0.00 +ATOM 4579 O WAT X 831 24.886 8.673 10.753 0.00 0.00 +ATOM 4580 H1 WAT X 831 25.269 7.947 11.244 0.00 0.00 +ATOM 4581 H2 WAT X 831 25.634 9.213 10.499 0.00 0.00 +ATOM 4582 O WAT X 832 24.619 8.640 55.443 0.00 0.00 +ATOM 4583 H1 WAT X 832 24.699 9.555 55.710 0.00 0.00 +ATOM 4584 H2 WAT X 832 24.662 8.664 54.488 0.00 0.00 +ATOM 4585 O WAT X 833 65.872 20.277 2.230 0.00 0.00 +ATOM 4586 H1 WAT X 833 65.563 19.477 1.805 0.00 0.00 +ATOM 4587 H2 WAT X 833 66.688 20.020 2.660 0.00 0.00 +ATOM 4588 O WAT X 834 10.487 32.775 1.899 0.00 0.00 +ATOM 4589 H1 WAT X 834 11.140 32.833 2.596 0.00 0.00 +ATOM 4590 H2 WAT X 834 10.591 31.891 1.546 0.00 0.00 +ATOM 4591 O WAT X 835 62.266 6.750 28.562 0.00 0.00 +ATOM 4592 H1 WAT X 835 62.128 7.692 28.462 0.00 0.00 +ATOM 4593 H2 WAT X 835 62.658 6.656 29.430 0.00 0.00 +ATOM 4594 O WAT X 836 27.156 41.733 10.579 0.00 0.00 +ATOM 4595 H1 WAT X 836 27.887 42.351 10.560 0.00 0.00 +ATOM 4596 H2 WAT X 836 26.907 41.628 9.661 0.00 0.00 +ATOM 4597 O WAT X 837 -0.204 51.393 45.101 0.00 0.00 +ATOM 4598 H1 WAT X 837 0.108 51.785 44.286 0.00 0.00 +ATOM 4599 H2 WAT X 837 0.560 51.397 45.677 0.00 0.00 +ATOM 4600 O WAT X 838 12.037 30.875 18.362 0.00 0.00 +ATOM 4601 H1 WAT X 838 11.347 31.011 17.713 0.00 0.00 +ATOM 4602 H2 WAT X 838 11.679 30.219 18.959 0.00 0.00 +ATOM 4603 O WAT X 839 4.355 44.760 29.470 0.00 0.00 +ATOM 4604 H1 WAT X 839 4.160 45.354 28.745 0.00 0.00 +ATOM 4605 H2 WAT X 839 4.604 43.938 29.046 0.00 0.00 +ATOM 4606 O WAT X 840 41.491 14.434 27.349 0.00 0.00 +ATOM 4607 H1 WAT X 840 42.447 14.457 27.311 0.00 0.00 +ATOM 4608 H2 WAT X 840 41.241 15.314 27.630 0.00 0.00 +ATOM 4609 O WAT X 841 70.732 27.049 21.786 0.00 0.00 +ATOM 4610 H1 WAT X 841 70.801 26.335 21.151 0.00 0.00 +ATOM 4611 H2 WAT X 841 70.900 27.841 21.275 0.00 0.00 +ATOM 4612 O WAT X 842 16.546 5.955 10.638 0.00 0.00 +ATOM 4613 H1 WAT X 842 17.392 5.655 10.969 0.00 0.00 +ATOM 4614 H2 WAT X 842 16.494 6.871 10.908 0.00 0.00 +ATOM 4615 O WAT X 843 68.991 32.342 14.067 0.00 0.00 +ATOM 4616 H1 WAT X 843 68.400 32.607 14.771 0.00 0.00 +ATOM 4617 H2 WAT X 843 68.642 32.773 13.287 0.00 0.00 +ATOM 4618 O WAT X 844 76.346 36.389 37.034 0.00 0.00 +ATOM 4619 H1 WAT X 844 75.772 35.649 37.233 0.00 0.00 +ATOM 4620 H2 WAT X 844 75.865 37.155 37.347 0.00 0.00 +ATOM 4621 O WAT X 845 52.233 36.070 56.249 0.00 0.00 +ATOM 4622 H1 WAT X 845 52.948 36.105 55.614 0.00 0.00 +ATOM 4623 H2 WAT X 845 52.488 35.378 56.859 0.00 0.00 +ATOM 4624 O WAT X 846 39.874 54.811 46.226 0.00 0.00 +ATOM 4625 H1 WAT X 846 40.052 55.740 46.373 0.00 0.00 +ATOM 4626 H2 WAT X 846 39.774 54.444 47.104 0.00 0.00 +ATOM 4627 O WAT X 847 77.744 7.051 21.682 0.00 0.00 +ATOM 4628 H1 WAT X 847 77.049 7.245 21.053 0.00 0.00 +ATOM 4629 H2 WAT X 847 78.135 7.902 21.878 0.00 0.00 +ATOM 4630 O WAT X 848 60.685 29.066 21.759 0.00 0.00 +ATOM 4631 H1 WAT X 848 61.623 29.086 21.567 0.00 0.00 +ATOM 4632 H2 WAT X 848 60.292 28.661 20.985 0.00 0.00 +ATOM 4633 O WAT X 849 3.331 23.484 21.965 0.00 0.00 +ATOM 4634 H1 WAT X 849 3.731 23.921 22.717 0.00 0.00 +ATOM 4635 H2 WAT X 849 3.091 22.617 22.291 0.00 0.00 +ATOM 4636 O WAT X 850 74.504 42.617 44.849 0.00 0.00 +ATOM 4637 H1 WAT X 850 74.513 43.575 44.840 0.00 0.00 +ATOM 4638 H2 WAT X 850 74.509 42.369 43.924 0.00 0.00 +ATOM 4639 O WAT X 851 62.082 4.378 18.988 0.00 0.00 +ATOM 4640 H1 WAT X 851 62.021 3.585 19.520 0.00 0.00 +ATOM 4641 H2 WAT X 851 62.976 4.691 19.125 0.00 0.00 +ATOM 4642 O WAT X 852 58.816 14.691 27.733 0.00 0.00 +ATOM 4643 H1 WAT X 852 58.069 14.590 27.142 0.00 0.00 +ATOM 4644 H2 WAT X 852 59.575 14.446 27.203 0.00 0.00 +ATOM 4645 O WAT X 853 68.055 21.820 18.191 0.00 0.00 +ATOM 4646 H1 WAT X 853 68.321 21.569 17.306 0.00 0.00 +ATOM 4647 H2 WAT X 853 67.127 21.588 18.237 0.00 0.00 +ATOM 4648 O WAT X 854 52.966 45.634 24.185 0.00 0.00 +ATOM 4649 H1 WAT X 854 52.190 45.438 24.709 0.00 0.00 +ATOM 4650 H2 WAT X 854 53.399 44.787 24.073 0.00 0.00 +ATOM 4651 O WAT X 855 36.122 9.684 46.516 0.00 0.00 +ATOM 4652 H1 WAT X 855 37.015 10.031 46.502 0.00 0.00 +ATOM 4653 H2 WAT X 855 35.912 9.601 47.446 0.00 0.00 +ATOM 4654 O WAT X 856 47.482 46.060 42.593 0.00 0.00 +ATOM 4655 H1 WAT X 856 48.074 46.510 41.991 0.00 0.00 +ATOM 4656 H2 WAT X 856 47.740 46.373 43.460 0.00 0.00 +ATOM 4657 O WAT X 857 21.036 38.792 9.938 0.00 0.00 +ATOM 4658 H1 WAT X 857 20.743 38.977 10.830 0.00 0.00 +ATOM 4659 H2 WAT X 857 21.989 38.865 9.979 0.00 0.00 +ATOM 4660 O WAT X 858 60.229 48.122 27.761 0.00 0.00 +ATOM 4661 H1 WAT X 858 59.483 48.212 28.354 0.00 0.00 +ATOM 4662 H2 WAT X 858 60.499 49.022 27.576 0.00 0.00 +ATOM 4663 O WAT X 859 48.494 33.694 1.110 0.00 0.00 +ATOM 4664 H1 WAT X 859 49.056 33.812 1.876 0.00 0.00 +ATOM 4665 H2 WAT X 859 48.927 33.011 0.599 0.00 0.00 +ATOM 4666 O WAT X 860 31.097 19.805 56.471 0.00 0.00 +ATOM 4667 H1 WAT X 860 30.623 18.979 56.563 0.00 0.00 +ATOM 4668 H2 WAT X 860 31.865 19.582 55.945 0.00 0.00 +ATOM 4669 O WAT X 861 26.100 53.954 8.444 0.00 0.00 +ATOM 4670 H1 WAT X 861 26.983 53.855 8.088 0.00 0.00 +ATOM 4671 H2 WAT X 861 26.172 54.679 9.064 0.00 0.00 +ATOM 4672 O WAT X 862 44.250 -0.247 11.432 0.00 0.00 +ATOM 4673 H1 WAT X 862 45.018 0.175 11.817 0.00 0.00 +ATOM 4674 H2 WAT X 862 43.586 0.441 11.404 0.00 0.00 +ATOM 4675 O WAT X 863 62.466 14.373 51.076 0.00 0.00 +ATOM 4676 H1 WAT X 863 63.312 14.583 51.471 0.00 0.00 +ATOM 4677 H2 WAT X 863 61.938 15.161 51.207 0.00 0.00 +ATOM 4678 O WAT X 864 0.528 46.465 50.834 0.00 0.00 +ATOM 4679 H1 WAT X 864 -0.199 47.086 50.875 0.00 0.00 +ATOM 4680 H2 WAT X 864 0.480 45.985 51.661 0.00 0.00 +ATOM 4681 O WAT X 865 66.588 7.407 28.861 0.00 0.00 +ATOM 4682 H1 WAT X 865 66.842 6.557 29.219 0.00 0.00 +ATOM 4683 H2 WAT X 865 65.880 7.706 29.432 0.00 0.00 +ATOM 4684 O WAT X 866 73.772 48.036 17.687 0.00 0.00 +ATOM 4685 H1 WAT X 866 73.601 47.194 17.265 0.00 0.00 +ATOM 4686 H2 WAT X 866 74.726 48.120 17.674 0.00 0.00 +ATOM 4687 O WAT X 867 50.903 44.869 5.559 0.00 0.00 +ATOM 4688 H1 WAT X 867 50.094 44.417 5.800 0.00 0.00 +ATOM 4689 H2 WAT X 867 51.510 44.166 5.328 0.00 0.00 +ATOM 4690 O WAT X 868 43.148 54.305 13.467 0.00 0.00 +ATOM 4691 H1 WAT X 868 43.401 55.200 13.695 0.00 0.00 +ATOM 4692 H2 WAT X 868 43.300 54.245 12.524 0.00 0.00 +ATOM 4693 O WAT X 869 6.483 47.723 27.802 0.00 0.00 +ATOM 4694 H1 WAT X 869 6.594 47.253 28.629 0.00 0.00 +ATOM 4695 H2 WAT X 869 6.517 47.039 27.132 0.00 0.00 +ATOM 4696 O WAT X 870 3.613 10.625 29.943 0.00 0.00 +ATOM 4697 H1 WAT X 870 4.176 10.327 29.229 0.00 0.00 +ATOM 4698 H2 WAT X 870 2.836 10.973 29.506 0.00 0.00 +ATOM 4699 O WAT X 871 29.834 11.540 2.841 0.00 0.00 +ATOM 4700 H1 WAT X 871 29.340 12.349 2.974 0.00 0.00 +ATOM 4701 H2 WAT X 871 29.517 11.202 2.003 0.00 0.00 +ATOM 4702 O WAT X 872 77.842 5.495 34.885 0.00 0.00 +ATOM 4703 H1 WAT X 872 78.172 6.142 35.508 0.00 0.00 +ATOM 4704 H2 WAT X 872 77.061 5.134 35.305 0.00 0.00 +ATOM 4705 O WAT X 873 72.574 27.721 7.561 0.00 0.00 +ATOM 4706 H1 WAT X 873 71.836 27.131 7.410 0.00 0.00 +ATOM 4707 H2 WAT X 873 72.432 28.063 8.444 0.00 0.00 +ATOM 4708 O WAT X 874 43.742 22.240 4.367 0.00 0.00 +ATOM 4709 H1 WAT X 874 42.939 21.894 4.757 0.00 0.00 +ATOM 4710 H2 WAT X 874 44.440 21.700 4.737 0.00 0.00 +ATOM 4711 O WAT X 875 76.493 57.343 9.885 0.00 0.00 +ATOM 4712 H1 WAT X 875 77.025 56.841 10.502 0.00 0.00 +ATOM 4713 H2 WAT X 875 76.009 56.681 9.391 0.00 0.00 +ATOM 4714 O WAT X 876 1.156 36.585 36.780 0.00 0.00 +ATOM 4715 H1 WAT X 876 0.268 36.375 37.072 0.00 0.00 +ATOM 4716 H2 WAT X 876 1.048 37.353 36.219 0.00 0.00 +ATOM 4717 O WAT X 877 44.830 13.983 40.368 0.00 0.00 +ATOM 4718 H1 WAT X 877 44.242 14.648 40.009 0.00 0.00 +ATOM 4719 H2 WAT X 877 45.610 14.030 39.816 0.00 0.00 +ATOM 4720 O WAT X 878 13.535 53.494 58.083 0.00 0.00 +ATOM 4721 H1 WAT X 878 13.679 54.422 58.268 0.00 0.00 +ATOM 4722 H2 WAT X 878 13.953 53.036 58.813 0.00 0.00 +ATOM 4723 O WAT X 879 0.904 8.985 11.293 0.00 0.00 +ATOM 4724 H1 WAT X 879 1.742 8.945 10.832 0.00 0.00 +ATOM 4725 H2 WAT X 879 0.603 8.077 11.321 0.00 0.00 +ATOM 4726 O WAT X 880 67.110 29.555 16.959 0.00 0.00 +ATOM 4727 H1 WAT X 880 66.432 28.881 16.998 0.00 0.00 +ATOM 4728 H2 WAT X 880 67.798 29.172 16.414 0.00 0.00 +ATOM 4729 O WAT X 881 68.232 24.289 19.975 0.00 0.00 +ATOM 4730 H1 WAT X 881 69.009 23.945 20.415 0.00 0.00 +ATOM 4731 H2 WAT X 881 68.478 24.329 19.051 0.00 0.00 +ATOM 4732 O WAT X 882 9.386 31.474 48.277 0.00 0.00 +ATOM 4733 H1 WAT X 882 9.259 30.694 48.818 0.00 0.00 +ATOM 4734 H2 WAT X 882 10.180 31.879 48.625 0.00 0.00 +ATOM 4735 O WAT X 883 77.900 45.331 4.190 0.00 0.00 +ATOM 4736 H1 WAT X 883 77.414 45.106 4.984 0.00 0.00 +ATOM 4737 H2 WAT X 883 78.139 46.250 4.309 0.00 0.00 +ATOM 4738 O WAT X 884 3.922 20.406 40.402 0.00 0.00 +ATOM 4739 H1 WAT X 884 3.934 21.355 40.530 0.00 0.00 +ATOM 4740 H2 WAT X 884 4.688 20.090 40.880 0.00 0.00 +ATOM 4741 O WAT X 885 18.615 47.637 31.852 0.00 0.00 +ATOM 4742 H1 WAT X 885 17.921 47.936 32.439 0.00 0.00 +ATOM 4743 H2 WAT X 885 19.223 48.375 31.804 0.00 0.00 +ATOM 4744 O WAT X 886 55.580 49.805 40.722 0.00 0.00 +ATOM 4745 H1 WAT X 886 55.271 49.099 41.290 0.00 0.00 +ATOM 4746 H2 WAT X 886 56.376 49.457 40.319 0.00 0.00 +ATOM 4747 O WAT X 887 54.032 26.678 51.793 0.00 0.00 +ATOM 4748 H1 WAT X 887 53.118 26.542 52.044 0.00 0.00 +ATOM 4749 H2 WAT X 887 54.149 27.628 51.819 0.00 0.00 +ATOM 4750 O WAT X 888 1.075 40.795 56.464 0.00 0.00 +ATOM 4751 H1 WAT X 888 1.383 39.951 56.794 0.00 0.00 +ATOM 4752 H2 WAT X 888 1.845 41.186 56.050 0.00 0.00 +ATOM 4753 O WAT X 889 59.263 9.019 56.150 0.00 0.00 +ATOM 4754 H1 WAT X 889 58.514 9.108 56.738 0.00 0.00 +ATOM 4755 H2 WAT X 889 59.987 9.433 56.620 0.00 0.00 +ATOM 4756 O WAT X 890 35.435 41.652 40.405 0.00 0.00 +ATOM 4757 H1 WAT X 890 36.133 42.258 40.653 0.00 0.00 +ATOM 4758 H2 WAT X 890 35.522 40.922 41.017 0.00 0.00 +ATOM 4759 O WAT X 891 18.379 18.185 25.177 0.00 0.00 +ATOM 4760 H1 WAT X 891 18.473 17.457 25.792 0.00 0.00 +ATOM 4761 H2 WAT X 891 17.434 18.270 25.050 0.00 0.00 +ATOM 4762 O WAT X 892 74.009 42.955 22.574 0.00 0.00 +ATOM 4763 H1 WAT X 892 74.678 42.320 22.315 0.00 0.00 +ATOM 4764 H2 WAT X 892 74.331 43.791 22.237 0.00 0.00 +ATOM 4765 O WAT X 893 44.502 4.387 18.724 0.00 0.00 +ATOM 4766 H1 WAT X 893 43.854 4.883 19.224 0.00 0.00 +ATOM 4767 H2 WAT X 893 45.204 5.015 18.553 0.00 0.00 +ATOM 4768 O WAT X 894 38.815 20.208 5.098 0.00 0.00 +ATOM 4769 H1 WAT X 894 39.523 19.690 4.714 0.00 0.00 +ATOM 4770 H2 WAT X 894 38.786 21.004 4.568 0.00 0.00 +ATOM 4771 O WAT X 895 51.904 40.359 44.102 0.00 0.00 +ATOM 4772 H1 WAT X 895 51.289 40.695 44.755 0.00 0.00 +ATOM 4773 H2 WAT X 895 52.580 41.034 44.041 0.00 0.00 +ATOM 4774 O WAT X 896 58.095 23.234 5.805 0.00 0.00 +ATOM 4775 H1 WAT X 896 57.224 23.412 5.450 0.00 0.00 +ATOM 4776 H2 WAT X 896 58.384 24.074 6.161 0.00 0.00 +ATOM 4777 O WAT X 897 64.037 7.711 30.645 0.00 0.00 +ATOM 4778 H1 WAT X 897 64.908 7.940 30.969 0.00 0.00 +ATOM 4779 H2 WAT X 897 63.764 6.975 31.192 0.00 0.00 +ATOM 4780 O WAT X 898 6.191 26.633 31.910 0.00 0.00 +ATOM 4781 H1 WAT X 898 6.826 25.916 31.898 0.00 0.00 +ATOM 4782 H2 WAT X 898 5.770 26.594 31.051 0.00 0.00 +ATOM 4783 O WAT X 899 61.970 36.150 55.165 0.00 0.00 +ATOM 4784 H1 WAT X 899 62.429 36.717 55.784 0.00 0.00 +ATOM 4785 H2 WAT X 899 61.577 36.754 54.534 0.00 0.00 +ATOM 4786 O WAT X 900 61.137 23.549 52.477 0.00 0.00 +ATOM 4787 H1 WAT X 900 62.083 23.419 52.414 0.00 0.00 +ATOM 4788 H2 WAT X 900 60.785 23.136 51.689 0.00 0.00 +ATOM 4789 O WAT X 901 40.259 9.475 57.882 0.00 0.00 +ATOM 4790 H1 WAT X 901 40.374 9.369 58.826 0.00 0.00 +ATOM 4791 H2 WAT X 901 41.055 9.919 57.592 0.00 0.00 +ATOM 4792 O WAT X 902 76.800 43.169 0.212 0.00 0.00 +ATOM 4793 H1 WAT X 902 76.255 43.641 0.842 0.00 0.00 +ATOM 4794 H2 WAT X 902 76.565 42.249 0.335 0.00 0.00 +ATOM 4795 O WAT X 903 26.189 12.195 7.704 0.00 0.00 +ATOM 4796 H1 WAT X 903 26.118 12.815 8.430 0.00 0.00 +ATOM 4797 H2 WAT X 903 25.918 11.357 8.077 0.00 0.00 +ATOM 4798 O WAT X 904 44.816 38.239 2.693 0.00 0.00 +ATOM 4799 H1 WAT X 904 44.245 37.475 2.775 0.00 0.00 +ATOM 4800 H2 WAT X 904 44.218 38.969 2.535 0.00 0.00 +ATOM 4801 O WAT X 905 2.689 22.384 14.419 0.00 0.00 +ATOM 4802 H1 WAT X 905 3.121 22.135 13.602 0.00 0.00 +ATOM 4803 H2 WAT X 905 2.873 21.660 15.018 0.00 0.00 +ATOM 4804 O WAT X 906 67.270 17.898 23.323 0.00 0.00 +ATOM 4805 H1 WAT X 906 67.429 18.093 24.246 0.00 0.00 +ATOM 4806 H2 WAT X 906 68.030 18.261 22.868 0.00 0.00 +ATOM 4807 O WAT X 907 64.578 2.404 37.759 0.00 0.00 +ATOM 4808 H1 WAT X 907 64.222 2.241 38.632 0.00 0.00 +ATOM 4809 H2 WAT X 907 64.466 1.574 37.295 0.00 0.00 +ATOM 4810 O WAT X 908 3.215 20.796 29.631 0.00 0.00 +ATOM 4811 H1 WAT X 908 3.257 19.952 30.081 0.00 0.00 +ATOM 4812 H2 WAT X 908 3.229 21.444 30.335 0.00 0.00 +ATOM 4813 O WAT X 909 34.108 28.345 53.159 0.00 0.00 +ATOM 4814 H1 WAT X 909 34.950 28.079 53.529 0.00 0.00 +ATOM 4815 H2 WAT X 909 33.458 27.994 53.767 0.00 0.00 +ATOM 4816 O WAT X 910 0.574 34.875 4.906 0.00 0.00 +ATOM 4817 H1 WAT X 910 0.216 35.485 5.552 0.00 0.00 +ATOM 4818 H2 WAT X 910 1.380 35.293 4.604 0.00 0.00 +ATOM 4819 O WAT X 911 72.735 6.290 0.438 0.00 0.00 +ATOM 4820 H1 WAT X 911 71.817 6.155 0.675 0.00 0.00 +ATOM 4821 H2 WAT X 911 72.919 7.192 0.699 0.00 0.00 +ATOM 4822 O WAT X 912 70.339 50.276 25.736 0.00 0.00 +ATOM 4823 H1 WAT X 912 69.412 50.453 25.894 0.00 0.00 +ATOM 4824 H2 WAT X 912 70.635 51.010 25.197 0.00 0.00 +ATOM 4825 O WAT X 913 52.652 46.970 21.973 0.00 0.00 +ATOM 4826 H1 WAT X 913 52.973 46.591 22.791 0.00 0.00 +ATOM 4827 H2 WAT X 913 52.321 47.833 22.222 0.00 0.00 +ATOM 4828 O WAT X 914 72.065 32.621 26.231 0.00 0.00 +ATOM 4829 H1 WAT X 914 71.109 32.669 26.208 0.00 0.00 +ATOM 4830 H2 WAT X 914 72.253 31.776 26.639 0.00 0.00 +ATOM 4831 O WAT X 915 74.961 39.478 44.810 0.00 0.00 +ATOM 4832 H1 WAT X 915 74.764 39.733 45.711 0.00 0.00 +ATOM 4833 H2 WAT X 915 74.288 39.912 44.285 0.00 0.00 +ATOM 4834 O WAT X 916 5.383 5.525 30.744 0.00 0.00 +ATOM 4835 H1 WAT X 916 5.555 5.386 31.676 0.00 0.00 +ATOM 4836 H2 WAT X 916 5.477 4.657 30.352 0.00 0.00 +ATOM 4837 O WAT X 917 55.469 48.807 12.004 0.00 0.00 +ATOM 4838 H1 WAT X 917 55.869 49.421 11.389 0.00 0.00 +ATOM 4839 H2 WAT X 917 55.149 49.358 12.718 0.00 0.00 +ATOM 4840 O WAT X 918 67.217 49.285 41.839 0.00 0.00 +ATOM 4841 H1 WAT X 918 67.001 48.665 41.142 0.00 0.00 +ATOM 4842 H2 WAT X 918 68.173 49.297 41.861 0.00 0.00 +ATOM 4843 O WAT X 919 71.010 28.611 17.477 0.00 0.00 +ATOM 4844 H1 WAT X 919 70.982 28.369 16.552 0.00 0.00 +ATOM 4845 H2 WAT X 919 70.646 27.853 17.934 0.00 0.00 +ATOM 4846 O WAT X 920 56.044 42.645 8.183 0.00 0.00 +ATOM 4847 H1 WAT X 920 56.349 42.428 9.064 0.00 0.00 +ATOM 4848 H2 WAT X 920 56.026 43.602 8.164 0.00 0.00 +ATOM 4849 O WAT X 921 18.796 7.077 22.242 0.00 0.00 +ATOM 4850 H1 WAT X 921 18.837 6.405 22.922 0.00 0.00 +ATOM 4851 H2 WAT X 921 19.243 6.685 21.491 0.00 0.00 +ATOM 4852 O WAT X 922 12.493 60.635 56.897 0.00 0.00 +ATOM 4853 H1 WAT X 922 12.670 61.559 56.720 0.00 0.00 +ATOM 4854 H2 WAT X 922 12.392 60.240 56.031 0.00 0.00 +ATOM 4855 O WAT X 923 56.669 17.413 10.803 0.00 0.00 +ATOM 4856 H1 WAT X 923 57.086 18.027 11.408 0.00 0.00 +ATOM 4857 H2 WAT X 923 57.256 16.656 10.789 0.00 0.00 +ATOM 4858 O WAT X 924 17.812 27.122 10.719 0.00 0.00 +ATOM 4859 H1 WAT X 924 18.419 27.812 10.985 0.00 0.00 +ATOM 4860 H2 WAT X 924 17.074 27.206 11.322 0.00 0.00 +ATOM 4861 O WAT X 925 40.411 49.302 2.388 0.00 0.00 +ATOM 4862 H1 WAT X 925 41.158 48.760 2.131 0.00 0.00 +ATOM 4863 H2 WAT X 925 39.858 49.332 1.607 0.00 0.00 +ATOM 4864 O WAT X 926 74.967 29.068 34.407 0.00 0.00 +ATOM 4865 H1 WAT X 926 75.826 28.724 34.651 0.00 0.00 +ATOM 4866 H2 WAT X 926 74.669 28.490 33.704 0.00 0.00 +ATOM 4867 O WAT X 927 8.145 11.331 3.944 0.00 0.00 +ATOM 4868 H1 WAT X 927 8.112 10.513 4.441 0.00 0.00 +ATOM 4869 H2 WAT X 927 8.410 11.066 3.064 0.00 0.00 +ATOM 4870 O WAT X 928 21.443 57.840 17.288 0.00 0.00 +ATOM 4871 H1 WAT X 928 21.294 57.977 18.224 0.00 0.00 +ATOM 4872 H2 WAT X 928 22.150 58.446 17.067 0.00 0.00 +ATOM 4873 O WAT X 929 70.575 23.259 44.383 0.00 0.00 +ATOM 4874 H1 WAT X 929 69.919 23.900 44.654 0.00 0.00 +ATOM 4875 H2 WAT X 929 70.252 22.926 43.545 0.00 0.00 +ATOM 4876 O WAT X 930 37.515 30.343 49.038 0.00 0.00 +ATOM 4877 H1 WAT X 930 36.596 30.588 48.932 0.00 0.00 +ATOM 4878 H2 WAT X 930 37.997 31.162 48.919 0.00 0.00 +ATOM 4879 O WAT X 931 24.741 49.839 23.873 0.00 0.00 +ATOM 4880 H1 WAT X 931 23.877 49.502 24.108 0.00 0.00 +ATOM 4881 H2 WAT X 931 25.354 49.196 24.229 0.00 0.00 +ATOM 4882 O WAT X 932 51.391 60.837 47.921 0.00 0.00 +ATOM 4883 H1 WAT X 932 50.679 61.450 47.740 0.00 0.00 +ATOM 4884 H2 WAT X 932 51.097 60.348 48.689 0.00 0.00 +ATOM 4885 O WAT X 933 7.841 23.013 42.631 0.00 0.00 +ATOM 4886 H1 WAT X 933 8.574 22.885 43.233 0.00 0.00 +ATOM 4887 H2 WAT X 933 8.165 23.646 41.990 0.00 0.00 +ATOM 4888 O WAT X 934 24.387 34.961 8.726 0.00 0.00 +ATOM 4889 H1 WAT X 934 23.598 35.420 9.014 0.00 0.00 +ATOM 4890 H2 WAT X 934 24.234 34.047 8.965 0.00 0.00 +ATOM 4891 O WAT X 935 34.363 58.081 9.697 0.00 0.00 +ATOM 4892 H1 WAT X 935 34.317 57.808 8.780 0.00 0.00 +ATOM 4893 H2 WAT X 935 35.261 58.393 9.808 0.00 0.00 +ATOM 4894 O WAT X 936 4.954 26.935 20.926 0.00 0.00 +ATOM 4895 H1 WAT X 936 5.054 25.990 20.811 0.00 0.00 +ATOM 4896 H2 WAT X 936 4.356 27.199 20.226 0.00 0.00 +ATOM 4897 O WAT X 937 18.332 57.743 3.816 0.00 0.00 +ATOM 4898 H1 WAT X 937 19.009 57.689 4.491 0.00 0.00 +ATOM 4899 H2 WAT X 937 17.520 57.888 4.303 0.00 0.00 +ATOM 4900 O WAT X 938 77.364 4.797 23.535 0.00 0.00 +ATOM 4901 H1 WAT X 938 77.000 4.748 24.420 0.00 0.00 +ATOM 4902 H2 WAT X 938 77.483 5.734 23.377 0.00 0.00 +ATOM 4903 O WAT X 939 9.771 58.788 15.923 0.00 0.00 +ATOM 4904 H1 WAT X 939 9.153 59.508 16.047 0.00 0.00 +ATOM 4905 H2 WAT X 939 10.406 59.124 15.290 0.00 0.00 +ATOM 4906 O WAT X 940 3.235 8.288 8.653 0.00 0.00 +ATOM 4907 H1 WAT X 940 2.965 8.575 7.780 0.00 0.00 +ATOM 4908 H2 WAT X 940 3.712 7.473 8.500 0.00 0.00 +ATOM 4909 O WAT X 941 77.106 45.545 46.813 0.00 0.00 +ATOM 4910 H1 WAT X 941 76.514 45.217 47.490 0.00 0.00 +ATOM 4911 H2 WAT X 941 76.581 46.175 46.320 0.00 0.00 +ATOM 4912 O WAT X 942 49.060 19.756 26.758 0.00 0.00 +ATOM 4913 H1 WAT X 942 49.244 19.954 25.840 0.00 0.00 +ATOM 4914 H2 WAT X 942 49.345 18.849 26.870 0.00 0.00 +ATOM 4915 O WAT X 943 54.866 30.856 12.655 0.00 0.00 +ATOM 4916 H1 WAT X 943 55.467 31.148 11.971 0.00 0.00 +ATOM 4917 H2 WAT X 943 54.116 30.498 12.179 0.00 0.00 +ATOM 4918 O WAT X 944 61.260 0.868 47.155 0.00 0.00 +ATOM 4919 H1 WAT X 944 61.889 0.162 47.007 0.00 0.00 +ATOM 4920 H2 WAT X 944 61.428 1.490 46.447 0.00 0.00 +ATOM 4921 O WAT X 945 6.848 35.996 33.499 0.00 0.00 +ATOM 4922 H1 WAT X 945 7.071 36.757 34.035 0.00 0.00 +ATOM 4923 H2 WAT X 945 6.734 35.284 34.129 0.00 0.00 +ATOM 4924 O WAT X 946 70.780 28.737 9.736 0.00 0.00 +ATOM 4925 H1 WAT X 946 70.959 28.249 10.539 0.00 0.00 +ATOM 4926 H2 WAT X 946 70.451 29.584 10.038 0.00 0.00 +ATOM 4927 O WAT X 947 8.330 35.333 55.497 0.00 0.00 +ATOM 4928 H1 WAT X 947 7.685 34.638 55.370 0.00 0.00 +ATOM 4929 H2 WAT X 947 8.960 34.966 56.117 0.00 0.00 +ATOM 4930 O WAT X 948 69.870 46.316 25.961 0.00 0.00 +ATOM 4931 H1 WAT X 948 69.564 47.218 25.866 0.00 0.00 +ATOM 4932 H2 WAT X 948 69.816 45.951 25.078 0.00 0.00 +ATOM 4933 O WAT X 949 66.128 2.560 15.579 0.00 0.00 +ATOM 4934 H1 WAT X 949 66.249 1.636 15.796 0.00 0.00 +ATOM 4935 H2 WAT X 949 65.798 2.554 14.680 0.00 0.00 +ATOM 4936 O WAT X 950 17.073 55.336 54.809 0.00 0.00 +ATOM 4937 H1 WAT X 950 16.532 55.914 54.271 0.00 0.00 +ATOM 4938 H2 WAT X 950 17.914 55.788 54.874 0.00 0.00 +ATOM 4939 O WAT X 951 6.089 36.359 8.227 0.00 0.00 +ATOM 4940 H1 WAT X 951 5.580 36.831 7.567 0.00 0.00 +ATOM 4941 H2 WAT X 951 5.596 35.553 8.379 0.00 0.00 +ATOM 4942 O WAT X 952 28.108 49.734 1.104 0.00 0.00 +ATOM 4943 H1 WAT X 952 27.433 49.564 1.762 0.00 0.00 +ATOM 4944 H2 WAT X 952 28.439 48.866 0.872 0.00 0.00 +ATOM 4945 O WAT X 953 70.936 30.316 12.903 0.00 0.00 +ATOM 4946 H1 WAT X 953 70.060 30.244 13.282 0.00 0.00 +ATOM 4947 H2 WAT X 953 70.805 30.803 12.089 0.00 0.00 +ATOM 4948 O WAT X 954 67.974 28.561 19.730 0.00 0.00 +ATOM 4949 H1 WAT X 954 68.071 29.305 20.325 0.00 0.00 +ATOM 4950 H2 WAT X 954 67.939 28.954 18.858 0.00 0.00 +ATOM 4951 O WAT X 955 60.990 55.618 41.093 0.00 0.00 +ATOM 4952 H1 WAT X 955 60.879 56.537 40.848 0.00 0.00 +ATOM 4953 H2 WAT X 955 60.582 55.550 41.957 0.00 0.00 +ATOM 4954 O WAT X 956 16.471 36.713 49.337 0.00 0.00 +ATOM 4955 H1 WAT X 956 16.594 36.025 49.992 0.00 0.00 +ATOM 4956 H2 WAT X 956 15.660 36.474 48.888 0.00 0.00 +ATOM 4957 O WAT X 957 54.954 34.459 17.833 0.00 0.00 +ATOM 4958 H1 WAT X 957 55.064 33.514 17.730 0.00 0.00 +ATOM 4959 H2 WAT X 957 54.092 34.642 17.459 0.00 0.00 +ATOM 4960 O WAT X 958 55.044 55.962 36.108 0.00 0.00 +ATOM 4961 H1 WAT X 958 54.256 56.122 35.589 0.00 0.00 +ATOM 4962 H2 WAT X 958 55.673 56.613 35.795 0.00 0.00 +ATOM 4963 O WAT X 959 3.561 32.908 36.291 0.00 0.00 +ATOM 4964 H1 WAT X 959 2.888 32.385 36.726 0.00 0.00 +ATOM 4965 H2 WAT X 959 3.124 33.733 36.080 0.00 0.00 +ATOM 4966 O WAT X 960 60.371 39.585 19.023 0.00 0.00 +ATOM 4967 H1 WAT X 960 60.662 40.456 18.753 0.00 0.00 +ATOM 4968 H2 WAT X 960 60.026 39.711 19.907 0.00 0.00 +ATOM 4969 O WAT X 961 77.281 4.064 53.780 0.00 0.00 +ATOM 4970 H1 WAT X 961 77.308 4.053 52.824 0.00 0.00 +ATOM 4971 H2 WAT X 961 76.487 3.578 54.003 0.00 0.00 +ATOM 4972 O WAT X 962 2.491 10.998 36.539 0.00 0.00 +ATOM 4973 H1 WAT X 962 2.743 10.075 36.545 0.00 0.00 +ATOM 4974 H2 WAT X 962 1.608 11.003 36.170 0.00 0.00 +ATOM 4975 O WAT X 963 66.458 30.606 1.958 0.00 0.00 +ATOM 4976 H1 WAT X 963 67.201 30.194 1.517 0.00 0.00 +ATOM 4977 H2 WAT X 963 65.723 30.480 1.358 0.00 0.00 +ATOM 4978 O WAT X 964 29.886 9.352 47.942 0.00 0.00 +ATOM 4979 H1 WAT X 964 29.889 9.277 48.896 0.00 0.00 +ATOM 4980 H2 WAT X 964 29.795 8.451 47.631 0.00 0.00 +ATOM 4981 O WAT X 965 27.363 34.866 12.730 0.00 0.00 +ATOM 4982 H1 WAT X 965 27.288 34.751 11.783 0.00 0.00 +ATOM 4983 H2 WAT X 965 27.797 35.713 12.835 0.00 0.00 +ATOM 4984 O WAT X 966 73.819 6.622 26.543 0.00 0.00 +ATOM 4985 H1 WAT X 966 73.159 6.825 25.881 0.00 0.00 +ATOM 4986 H2 WAT X 966 73.318 6.484 27.347 0.00 0.00 +ATOM 4987 O WAT X 967 44.354 2.613 53.031 0.00 0.00 +ATOM 4988 H1 WAT X 967 45.139 2.482 52.499 0.00 0.00 +ATOM 4989 H2 WAT X 967 44.203 3.558 53.007 0.00 0.00 +ATOM 4990 O WAT X 968 3.977 30.537 27.803 0.00 0.00 +ATOM 4991 H1 WAT X 968 4.860 30.863 27.627 0.00 0.00 +ATOM 4992 H2 WAT X 968 4.021 30.196 28.696 0.00 0.00 +ATOM 4993 O WAT X 969 52.097 61.646 14.728 0.00 0.00 +ATOM 4994 H1 WAT X 969 51.163 61.853 14.730 0.00 0.00 +ATOM 4995 H2 WAT X 969 52.404 61.930 13.868 0.00 0.00 +ATOM 4996 O WAT X 970 12.809 1.391 8.306 0.00 0.00 +ATOM 4997 H1 WAT X 970 13.650 1.066 7.982 0.00 0.00 +ATOM 4998 H2 WAT X 970 12.940 2.334 8.409 0.00 0.00 +ATOM 4999 O WAT X 971 43.213 37.710 7.939 0.00 0.00 +ATOM 5000 H1 WAT X 971 42.463 37.861 7.364 0.00 0.00 +ATOM 5001 H2 WAT X 971 43.974 37.939 7.405 0.00 0.00 +ATOM 5002 O WAT X 972 57.727 13.419 36.523 0.00 0.00 +ATOM 5003 H1 WAT X 972 58.311 12.814 36.980 0.00 0.00 +ATOM 5004 H2 WAT X 972 57.208 12.860 35.945 0.00 0.00 +ATOM 5005 O WAT X 973 44.379 52.502 23.848 0.00 0.00 +ATOM 5006 H1 WAT X 973 43.492 52.862 23.819 0.00 0.00 +ATOM 5007 H2 WAT X 973 44.658 52.479 22.932 0.00 0.00 +ATOM 5008 O WAT X 974 20.983 22.421 51.643 0.00 0.00 +ATOM 5009 H1 WAT X 974 21.760 22.859 51.989 0.00 0.00 +ATOM 5010 H2 WAT X 974 20.247 22.911 52.010 0.00 0.00 +ATOM 5011 O WAT X 975 43.426 45.064 43.953 0.00 0.00 +ATOM 5012 H1 WAT X 975 43.528 44.205 43.543 0.00 0.00 +ATOM 5013 H2 WAT X 975 43.908 45.661 43.380 0.00 0.00 +ATOM 5014 O WAT X 976 29.639 20.865 50.857 0.00 0.00 +ATOM 5015 H1 WAT X 976 30.310 21.274 51.403 0.00 0.00 +ATOM 5016 H2 WAT X 976 28.947 20.621 51.472 0.00 0.00 +ATOM 5017 O WAT X 977 75.081 27.894 9.969 0.00 0.00 +ATOM 5018 H1 WAT X 977 74.650 28.599 10.452 0.00 0.00 +ATOM 5019 H2 WAT X 977 74.458 27.167 9.998 0.00 0.00 +ATOM 5020 O WAT X 978 18.841 6.966 54.955 0.00 0.00 +ATOM 5021 H1 WAT X 978 19.462 7.243 54.281 0.00 0.00 +ATOM 5022 H2 WAT X 978 18.396 6.209 54.574 0.00 0.00 +ATOM 5023 O WAT X 979 28.143 39.029 43.923 0.00 0.00 +ATOM 5024 H1 WAT X 979 27.812 39.353 44.761 0.00 0.00 +ATOM 5025 H2 WAT X 979 29.006 39.434 43.834 0.00 0.00 +ATOM 5026 O WAT X 980 17.115 21.514 9.928 0.00 0.00 +ATOM 5027 H1 WAT X 980 17.622 20.994 9.305 0.00 0.00 +ATOM 5028 H2 WAT X 980 16.289 21.689 9.477 0.00 0.00 +ATOM 5029 O WAT X 981 66.601 60.416 14.663 0.00 0.00 +ATOM 5030 H1 WAT X 981 66.162 59.938 15.367 0.00 0.00 +ATOM 5031 H2 WAT X 981 67.190 59.772 14.268 0.00 0.00 +ATOM 5032 O WAT X 982 70.899 33.343 55.946 0.00 0.00 +ATOM 5033 H1 WAT X 982 70.495 33.656 55.137 0.00 0.00 +ATOM 5034 H2 WAT X 982 71.759 33.021 55.675 0.00 0.00 +ATOM 5035 O WAT X 983 63.914 1.724 25.886 0.00 0.00 +ATOM 5036 H1 WAT X 983 63.431 1.080 26.404 0.00 0.00 +ATOM 5037 H2 WAT X 983 63.572 1.621 24.998 0.00 0.00 +ATOM 5038 O WAT X 984 6.699 24.406 51.041 0.00 0.00 +ATOM 5039 H1 WAT X 984 6.631 23.574 51.510 0.00 0.00 +ATOM 5040 H2 WAT X 984 6.976 24.161 50.158 0.00 0.00 +ATOM 5041 O WAT X 985 50.895 10.540 22.245 0.00 0.00 +ATOM 5042 H1 WAT X 985 50.644 9.796 21.698 0.00 0.00 +ATOM 5043 H2 WAT X 985 51.852 10.551 22.210 0.00 0.00 +ATOM 5044 O WAT X 986 53.524 32.842 1.661 0.00 0.00 +ATOM 5045 H1 WAT X 986 54.350 33.295 1.831 0.00 0.00 +ATOM 5046 H2 WAT X 986 53.784 32.014 1.256 0.00 0.00 +ATOM 5047 O WAT X 987 60.635 52.606 29.180 0.00 0.00 +ATOM 5048 H1 WAT X 987 61.180 52.227 28.490 0.00 0.00 +ATOM 5049 H2 WAT X 987 59.879 52.022 29.237 0.00 0.00 +ATOM 5050 O WAT X 988 28.390 17.671 21.344 0.00 0.00 +ATOM 5051 H1 WAT X 988 27.637 17.079 21.358 0.00 0.00 +ATOM 5052 H2 WAT X 988 29.088 17.180 21.777 0.00 0.00 +ATOM 5053 O WAT X 989 42.421 30.302 11.438 0.00 0.00 +ATOM 5054 H1 WAT X 989 41.743 30.976 11.489 0.00 0.00 +ATOM 5055 H2 WAT X 989 42.105 29.695 10.768 0.00 0.00 +ATOM 5056 O WAT X 990 19.931 55.400 8.199 0.00 0.00 +ATOM 5057 H1 WAT X 990 20.592 54.722 8.338 0.00 0.00 +ATOM 5058 H2 WAT X 990 19.374 55.355 8.977 0.00 0.00 +ATOM 5059 O WAT X 991 67.675 24.867 30.175 0.00 0.00 +ATOM 5060 H1 WAT X 991 67.822 24.436 31.017 0.00 0.00 +ATOM 5061 H2 WAT X 991 68.532 25.219 29.934 0.00 0.00 +ATOM 5062 O WAT X 992 71.955 12.014 36.978 0.00 0.00 +ATOM 5063 H1 WAT X 992 71.919 11.838 37.918 0.00 0.00 +ATOM 5064 H2 WAT X 992 71.059 11.871 36.673 0.00 0.00 +ATOM 5065 O WAT X 993 10.528 60.259 26.563 0.00 0.00 +ATOM 5066 H1 WAT X 993 11.417 60.276 26.211 0.00 0.00 +ATOM 5067 H2 WAT X 993 10.634 60.466 27.492 0.00 0.00 +ATOM 5068 O WAT X 994 64.788 19.847 39.200 0.00 0.00 +ATOM 5069 H1 WAT X 994 64.912 20.551 39.836 0.00 0.00 +ATOM 5070 H2 WAT X 994 65.644 19.746 38.784 0.00 0.00 +ATOM 5071 O WAT X 995 16.624 60.184 46.637 0.00 0.00 +ATOM 5072 H1 WAT X 995 17.547 60.214 46.384 0.00 0.00 +ATOM 5073 H2 WAT X 995 16.270 61.026 46.353 0.00 0.00 +ATOM 5074 O WAT X 996 62.287 46.522 28.530 0.00 0.00 +ATOM 5075 H1 WAT X 996 61.530 46.848 28.044 0.00 0.00 +ATOM 5076 H2 WAT X 996 62.472 47.207 29.173 0.00 0.00 +ATOM 5077 O WAT X 997 72.744 12.770 23.467 0.00 0.00 +ATOM 5078 H1 WAT X 997 73.485 12.408 22.982 0.00 0.00 +ATOM 5079 H2 WAT X 997 72.331 12.011 23.878 0.00 0.00 +ATOM 5080 O WAT X 998 13.952 47.542 30.649 0.00 0.00 +ATOM 5081 H1 WAT X 998 14.463 48.349 30.719 0.00 0.00 +ATOM 5082 H2 WAT X 998 14.097 47.094 31.483 0.00 0.00 +ATOM 5083 O WAT X 999 9.978 8.494 7.226 0.00 0.00 +ATOM 5084 H1 WAT X 999 10.445 8.144 7.985 0.00 0.00 +ATOM 5085 H2 WAT X 999 10.646 8.969 6.732 0.00 0.00 +ATOM 5086 O WAT X1000 1.377 28.947 54.103 0.00 0.00 +ATOM 5087 H1 WAT X1000 0.874 29.203 53.330 0.00 0.00 +ATOM 5088 H2 WAT X1000 0.759 29.028 54.830 0.00 0.00 +ATOM 5089 O WAT X1001 3.928 38.070 9.833 0.00 0.00 +ATOM 5090 H1 WAT X1001 4.788 37.979 9.424 0.00 0.00 +ATOM 5091 H2 WAT X1001 3.383 38.472 9.157 0.00 0.00 +ATOM 5092 O WAT X1002 50.066 15.548 15.597 0.00 0.00 +ATOM 5093 H1 WAT X1002 49.531 14.797 15.339 0.00 0.00 +ATOM 5094 H2 WAT X1002 49.722 15.803 16.453 0.00 0.00 +ATOM 5095 O WAT X1003 48.026 4.733 50.225 0.00 0.00 +ATOM 5096 H1 WAT X1003 48.470 3.983 49.828 0.00 0.00 +ATOM 5097 H2 WAT X1003 47.096 4.510 50.183 0.00 0.00 +ATOM 5098 O WAT X1004 3.609 54.641 19.551 0.00 0.00 +ATOM 5099 H1 WAT X1004 3.329 53.731 19.653 0.00 0.00 +ATOM 5100 H2 WAT X1004 3.312 55.074 20.351 0.00 0.00 +ATOM 5101 O WAT X1005 67.218 45.039 43.565 0.00 0.00 +ATOM 5102 H1 WAT X1005 67.708 45.827 43.804 0.00 0.00 +ATOM 5103 H2 WAT X1005 67.859 44.485 43.120 0.00 0.00 +ATOM 5104 O WAT X1006 66.626 20.521 21.395 0.00 0.00 +ATOM 5105 H1 WAT X1006 66.301 19.772 20.897 0.00 0.00 +ATOM 5106 H2 WAT X1006 67.464 20.737 20.986 0.00 0.00 +ATOM 5107 O WAT X1007 2.609 1.051 26.754 0.00 0.00 +ATOM 5108 H1 WAT X1007 2.378 0.586 27.557 0.00 0.00 +ATOM 5109 H2 WAT X1007 3.552 0.914 26.661 0.00 0.00 +ATOM 5110 O WAT X1008 59.305 47.678 36.218 0.00 0.00 +ATOM 5111 H1 WAT X1008 60.125 47.218 36.040 0.00 0.00 +ATOM 5112 H2 WAT X1008 58.776 47.538 35.432 0.00 0.00 +ATOM 5113 O WAT X1009 5.774 33.474 5.986 0.00 0.00 +ATOM 5114 H1 WAT X1009 5.841 32.525 6.088 0.00 0.00 +ATOM 5115 H2 WAT X1009 4.912 33.612 5.592 0.00 0.00 +ATOM 5116 O WAT X1010 76.244 36.895 11.216 0.00 0.00 +ATOM 5117 H1 WAT X1010 76.385 36.584 10.322 0.00 0.00 +ATOM 5118 H2 WAT X1010 77.123 37.088 11.543 0.00 0.00 +ATOM 5119 O WAT X1011 70.577 58.889 53.045 0.00 0.00 +ATOM 5120 H1 WAT X1011 70.072 59.687 53.204 0.00 0.00 +ATOM 5121 H2 WAT X1011 69.917 58.216 52.884 0.00 0.00 +ATOM 5122 O WAT X1012 20.665 37.124 51.692 0.00 0.00 +ATOM 5123 H1 WAT X1012 20.263 37.290 50.839 0.00 0.00 +ATOM 5124 H2 WAT X1012 21.472 37.638 51.680 0.00 0.00 +ATOM 5125 O WAT X1013 19.941 49.342 19.117 0.00 0.00 +ATOM 5126 H1 WAT X1013 19.097 48.945 19.336 0.00 0.00 +ATOM 5127 H2 WAT X1013 19.919 49.441 18.166 0.00 0.00 +ATOM 5128 O WAT X1014 26.609 5.764 24.540 0.00 0.00 +ATOM 5129 H1 WAT X1014 27.514 5.775 24.228 0.00 0.00 +ATOM 5130 H2 WAT X1014 26.680 5.552 25.470 0.00 0.00 +ATOM 5131 O WAT X1015 36.251 6.526 50.317 0.00 0.00 +ATOM 5132 H1 WAT X1015 36.962 6.717 50.928 0.00 0.00 +ATOM 5133 H2 WAT X1015 36.110 5.583 50.401 0.00 0.00 +ATOM 5134 O WAT X1016 35.406 52.032 0.672 0.00 0.00 +ATOM 5135 H1 WAT X1016 35.837 52.209 -0.165 0.00 0.00 +ATOM 5136 H2 WAT X1016 34.481 51.933 0.448 0.00 0.00 +ATOM 5137 O WAT X1017 70.612 18.016 13.859 0.00 0.00 +ATOM 5138 H1 WAT X1017 70.949 18.503 14.611 0.00 0.00 +ATOM 5139 H2 WAT X1017 69.711 18.324 13.759 0.00 0.00 +ATOM 5140 O WAT X1018 11.565 30.881 6.838 0.00 0.00 +ATOM 5141 H1 WAT X1018 10.902 31.356 6.336 0.00 0.00 +ATOM 5142 H2 WAT X1018 12.368 31.388 6.714 0.00 0.00 +ATOM 5143 O WAT X1019 67.145 46.221 34.151 0.00 0.00 +ATOM 5144 H1 WAT X1019 67.019 46.386 35.086 0.00 0.00 +ATOM 5145 H2 WAT X1019 68.078 46.023 34.066 0.00 0.00 +ATOM 5146 O WAT X1020 57.547 11.389 48.112 0.00 0.00 +ATOM 5147 H1 WAT X1020 57.671 12.308 48.346 0.00 0.00 +ATOM 5148 H2 WAT X1020 58.044 10.905 48.771 0.00 0.00 +ATOM 5149 O WAT X1021 14.789 43.916 6.354 0.00 0.00 +ATOM 5150 H1 WAT X1021 15.415 44.438 6.857 0.00 0.00 +ATOM 5151 H2 WAT X1021 15.290 43.154 6.065 0.00 0.00 +ATOM 5152 O WAT X1022 4.990 11.205 20.227 0.00 0.00 +ATOM 5153 H1 WAT X1022 5.487 11.000 19.435 0.00 0.00 +ATOM 5154 H2 WAT X1022 4.074 11.143 19.956 0.00 0.00 +ATOM 5155 O WAT X1023 25.788 39.371 38.844 0.00 0.00 +ATOM 5156 H1 WAT X1023 24.848 39.187 38.832 0.00 0.00 +ATOM 5157 H2 WAT X1023 26.106 38.942 39.638 0.00 0.00 +ATOM 5158 O WAT X1024 66.125 51.737 41.207 0.00 0.00 +ATOM 5159 H1 WAT X1024 66.264 50.792 41.258 0.00 0.00 +ATOM 5160 H2 WAT X1024 66.662 52.020 40.467 0.00 0.00 +ATOM 5161 O WAT X1025 75.461 17.396 25.052 0.00 0.00 +ATOM 5162 H1 WAT X1025 75.317 16.737 24.373 0.00 0.00 +ATOM 5163 H2 WAT X1025 74.654 17.391 25.566 0.00 0.00 +ATOM 5164 O WAT X1026 34.470 38.813 13.877 0.00 0.00 +ATOM 5165 H1 WAT X1026 34.970 38.005 13.995 0.00 0.00 +ATOM 5166 H2 WAT X1026 35.090 39.511 14.091 0.00 0.00 +ATOM 5167 O WAT X1027 0.011 9.797 31.994 0.00 0.00 +ATOM 5168 H1 WAT X1027 -0.452 9.161 32.538 0.00 0.00 +ATOM 5169 H2 WAT X1027 0.683 9.284 31.545 0.00 0.00 +ATOM 5170 O WAT X1028 25.330 48.322 0.352 0.00 0.00 +ATOM 5171 H1 WAT X1028 25.595 48.759 1.161 0.00 0.00 +ATOM 5172 H2 WAT X1028 26.125 47.890 0.041 0.00 0.00 +ATOM 5173 O WAT X1029 14.091 17.838 43.020 0.00 0.00 +ATOM 5174 H1 WAT X1029 14.953 17.920 42.612 0.00 0.00 +ATOM 5175 H2 WAT X1029 14.007 16.904 43.215 0.00 0.00 +ATOM 5176 O WAT X1030 63.724 18.261 10.648 0.00 0.00 +ATOM 5177 H1 WAT X1030 62.915 17.951 11.053 0.00 0.00 +ATOM 5178 H2 WAT X1030 63.439 18.931 10.026 0.00 0.00 +ATOM 5179 O WAT X1031 70.362 11.919 29.968 0.00 0.00 +ATOM 5180 H1 WAT X1031 71.266 12.178 29.792 0.00 0.00 +ATOM 5181 H2 WAT X1031 70.409 11.429 30.789 0.00 0.00 +ATOM 5182 O WAT X1032 62.483 45.510 35.277 0.00 0.00 +ATOM 5183 H1 WAT X1032 62.088 44.692 35.577 0.00 0.00 +ATOM 5184 H2 WAT X1032 63.164 45.698 35.923 0.00 0.00 +ATOM 5185 O WAT X1033 54.603 14.648 55.927 0.00 0.00 +ATOM 5186 H1 WAT X1033 54.981 14.775 55.056 0.00 0.00 +ATOM 5187 H2 WAT X1033 54.628 13.701 56.063 0.00 0.00 +ATOM 5188 O WAT X1034 7.159 27.533 19.733 0.00 0.00 +ATOM 5189 H1 WAT X1034 7.834 27.791 20.361 0.00 0.00 +ATOM 5190 H2 WAT X1034 6.365 27.440 20.260 0.00 0.00 +ATOM 5191 O WAT X1035 44.519 21.753 17.511 0.00 0.00 +ATOM 5192 H1 WAT X1035 43.981 21.977 18.271 0.00 0.00 +ATOM 5193 H2 WAT X1035 45.302 22.296 17.604 0.00 0.00 +ATOM 5194 O WAT X1036 9.561 22.987 14.170 0.00 0.00 +ATOM 5195 H1 WAT X1036 9.780 22.068 14.327 0.00 0.00 +ATOM 5196 H2 WAT X1036 9.877 23.444 14.949 0.00 0.00 +ATOM 5197 O WAT X1037 73.969 54.641 27.707 0.00 0.00 +ATOM 5198 H1 WAT X1037 73.485 54.076 27.105 0.00 0.00 +ATOM 5199 H2 WAT X1037 73.323 55.278 28.011 0.00 0.00 +ATOM 5200 O WAT X1038 69.320 48.146 24.193 0.00 0.00 +ATOM 5201 H1 WAT X1038 69.966 48.788 24.487 0.00 0.00 +ATOM 5202 H2 WAT X1038 68.871 48.574 23.465 0.00 0.00 +ATOM 5203 O WAT X1039 68.072 4.391 17.140 0.00 0.00 +ATOM 5204 H1 WAT X1039 67.237 4.058 16.811 0.00 0.00 +ATOM 5205 H2 WAT X1039 68.097 5.303 16.850 0.00 0.00 +ATOM 5206 O WAT X1040 71.224 19.729 42.785 0.00 0.00 +ATOM 5207 H1 WAT X1040 71.436 20.119 43.633 0.00 0.00 +ATOM 5208 H2 WAT X1040 70.635 19.005 42.994 0.00 0.00 +ATOM 5209 O WAT X1041 38.759 55.559 34.903 0.00 0.00 +ATOM 5210 H1 WAT X1041 38.748 55.116 35.752 0.00 0.00 +ATOM 5211 H2 WAT X1041 39.252 56.364 35.060 0.00 0.00 +ATOM 5212 O WAT X1042 64.563 41.342 45.733 0.00 0.00 +ATOM 5213 H1 WAT X1042 65.109 42.055 46.066 0.00 0.00 +ATOM 5214 H2 WAT X1042 65.188 40.697 45.401 0.00 0.00 +ATOM 5215 O WAT X1043 42.250 37.277 3.994 0.00 0.00 +ATOM 5216 H1 WAT X1043 42.710 37.692 4.724 0.00 0.00 +ATOM 5217 H2 WAT X1043 41.919 36.455 4.356 0.00 0.00 +ATOM 5218 O WAT X1044 7.942 19.213 31.296 0.00 0.00 +ATOM 5219 H1 WAT X1044 8.749 18.699 31.253 0.00 0.00 +ATOM 5220 H2 WAT X1044 7.941 19.582 32.179 0.00 0.00 +ATOM 5221 O WAT X1045 51.575 25.954 22.569 0.00 0.00 +ATOM 5222 H1 WAT X1045 52.273 26.092 23.209 0.00 0.00 +ATOM 5223 H2 WAT X1045 52.034 25.737 21.757 0.00 0.00 +ATOM 5224 O WAT X1046 4.515 39.449 32.929 0.00 0.00 +ATOM 5225 H1 WAT X1046 3.891 40.152 32.746 0.00 0.00 +ATOM 5226 H2 WAT X1046 4.991 39.747 33.704 0.00 0.00 +ATOM 5227 O WAT X1047 21.388 9.263 47.926 0.00 0.00 +ATOM 5228 H1 WAT X1047 20.886 9.616 47.191 0.00 0.00 +ATOM 5229 H2 WAT X1047 21.023 9.700 48.696 0.00 0.00 +ATOM 5230 O WAT X1048 10.420 60.182 3.106 0.00 0.00 +ATOM 5231 H1 WAT X1048 10.694 59.836 2.257 0.00 0.00 +ATOM 5232 H2 WAT X1048 10.362 59.412 3.672 0.00 0.00 +ATOM 5233 O WAT X1049 75.581 22.743 28.212 0.00 0.00 +ATOM 5234 H1 WAT X1049 75.525 23.689 28.079 0.00 0.00 +ATOM 5235 H2 WAT X1049 75.346 22.367 27.363 0.00 0.00 +ATOM 5236 O WAT X1050 13.015 4.805 18.838 0.00 0.00 +ATOM 5237 H1 WAT X1050 13.909 5.070 19.056 0.00 0.00 +ATOM 5238 H2 WAT X1050 13.120 4.151 18.147 0.00 0.00 +ATOM 5239 O WAT X1051 10.250 16.289 33.461 0.00 0.00 +ATOM 5240 H1 WAT X1051 10.277 17.244 33.400 0.00 0.00 +ATOM 5241 H2 WAT X1051 10.975 15.993 32.911 0.00 0.00 +ATOM 5242 O WAT X1052 57.985 61.155 39.551 0.00 0.00 +ATOM 5243 H1 WAT X1052 58.807 60.960 40.002 0.00 0.00 +ATOM 5244 H2 WAT X1052 58.188 61.911 39.000 0.00 0.00 +ATOM 5245 O WAT X1053 61.167 38.491 40.564 0.00 0.00 +ATOM 5246 H1 WAT X1053 62.119 38.587 40.560 0.00 0.00 +ATOM 5247 H2 WAT X1053 60.836 39.389 40.577 0.00 0.00 +ATOM 5248 O WAT X1054 6.611 24.314 6.281 0.00 0.00 +ATOM 5249 H1 WAT X1054 6.489 23.368 6.208 0.00 0.00 +ATOM 5250 H2 WAT X1054 6.377 24.653 5.417 0.00 0.00 +ATOM 5251 O WAT X1055 16.094 45.889 8.202 0.00 0.00 +ATOM 5252 H1 WAT X1055 16.288 46.419 7.429 0.00 0.00 +ATOM 5253 H2 WAT X1055 16.947 45.733 8.606 0.00 0.00 +ATOM 5254 O WAT X1056 36.849 58.816 9.652 0.00 0.00 +ATOM 5255 H1 WAT X1056 37.660 59.313 9.761 0.00 0.00 +ATOM 5256 H2 WAT X1056 36.705 58.798 8.706 0.00 0.00 +ATOM 5257 O WAT X1057 70.120 3.098 51.660 0.00 0.00 +ATOM 5258 H1 WAT X1057 69.794 3.778 52.249 0.00 0.00 +ATOM 5259 H2 WAT X1057 70.582 3.577 50.972 0.00 0.00 +ATOM 5260 O WAT X1058 21.159 48.050 13.841 0.00 0.00 +ATOM 5261 H1 WAT X1058 21.569 47.553 13.132 0.00 0.00 +ATOM 5262 H2 WAT X1058 21.826 48.682 14.107 0.00 0.00 +ATOM 5263 O WAT X1059 70.103 30.331 39.070 0.00 0.00 +ATOM 5264 H1 WAT X1059 69.258 29.946 39.304 0.00 0.00 +ATOM 5265 H2 WAT X1059 70.541 30.475 39.908 0.00 0.00 +ATOM 5266 O WAT X1060 58.127 32.631 41.508 0.00 0.00 +ATOM 5267 H1 WAT X1060 57.733 33.378 41.959 0.00 0.00 +ATOM 5268 H2 WAT X1060 58.484 32.088 42.211 0.00 0.00 +ATOM 5269 O WAT X1061 64.801 45.521 25.176 0.00 0.00 +ATOM 5270 H1 WAT X1061 64.175 44.806 25.298 0.00 0.00 +ATOM 5271 H2 WAT X1061 65.651 45.086 25.111 0.00 0.00 +ATOM 5272 O WAT X1062 70.073 23.801 13.871 0.00 0.00 +ATOM 5273 H1 WAT X1062 70.752 23.147 14.034 0.00 0.00 +ATOM 5274 H2 WAT X1062 70.500 24.639 14.048 0.00 0.00 +ATOM 5275 O WAT X1063 57.683 48.530 38.624 0.00 0.00 +ATOM 5276 H1 WAT X1063 57.473 49.395 38.271 0.00 0.00 +ATOM 5277 H2 WAT X1063 58.416 48.225 38.088 0.00 0.00 +ATOM 5278 O WAT X1064 76.893 0.870 30.291 0.00 0.00 +ATOM 5279 H1 WAT X1064 76.996 0.693 31.226 0.00 0.00 +ATOM 5280 H2 WAT X1064 76.557 1.765 30.252 0.00 0.00 +ATOM 5281 O WAT X1065 17.956 38.682 17.120 0.00 0.00 +ATOM 5282 H1 WAT X1065 17.432 38.658 16.320 0.00 0.00 +ATOM 5283 H2 WAT X1065 18.442 37.858 17.113 0.00 0.00 +ATOM 5284 O WAT X1066 66.202 1.789 23.476 0.00 0.00 +ATOM 5285 H1 WAT X1066 66.397 2.311 22.698 0.00 0.00 +ATOM 5286 H2 WAT X1066 65.330 1.430 23.311 0.00 0.00 +ATOM 5287 O WAT X1067 53.308 60.678 5.749 0.00 0.00 +ATOM 5288 H1 WAT X1067 52.909 59.943 5.283 0.00 0.00 +ATOM 5289 H2 WAT X1067 52.683 61.396 5.645 0.00 0.00 +ATOM 5290 O WAT X1068 62.808 31.896 20.480 0.00 0.00 +ATOM 5291 H1 WAT X1068 63.020 32.815 20.647 0.00 0.00 +ATOM 5292 H2 WAT X1068 63.549 31.569 19.969 0.00 0.00 +ATOM 5293 O WAT X1069 28.925 43.410 42.390 0.00 0.00 +ATOM 5294 H1 WAT X1069 29.047 44.274 41.994 0.00 0.00 +ATOM 5295 H2 WAT X1069 28.415 43.580 43.182 0.00 0.00 +ATOM 5296 O WAT X1070 56.339 28.705 5.526 0.00 0.00 +ATOM 5297 H1 WAT X1070 56.883 29.273 6.071 0.00 0.00 +ATOM 5298 H2 WAT X1070 55.588 29.249 5.287 0.00 0.00 +ATOM 5299 O WAT X1071 13.838 13.208 31.734 0.00 0.00 +ATOM 5300 H1 WAT X1071 12.893 13.143 31.598 0.00 0.00 +ATOM 5301 H2 WAT X1071 13.996 14.140 31.882 0.00 0.00 +ATOM 5302 O WAT X1072 68.662 33.833 10.615 0.00 0.00 +ATOM 5303 H1 WAT X1072 68.049 33.681 9.895 0.00 0.00 +ATOM 5304 H2 WAT X1072 68.535 34.753 10.846 0.00 0.00 +ATOM 5305 O WAT X1073 47.614 46.344 8.185 0.00 0.00 +ATOM 5306 H1 WAT X1073 47.484 46.843 7.379 0.00 0.00 +ATOM 5307 H2 WAT X1073 47.820 45.458 7.889 0.00 0.00 +ATOM 5308 O WAT X1074 7.113 38.331 58.012 0.00 0.00 +ATOM 5309 H1 WAT X1074 7.637 39.025 58.413 0.00 0.00 +ATOM 5310 H2 WAT X1074 6.397 38.793 57.577 0.00 0.00 +ATOM 5311 O WAT X1075 28.106 7.643 41.684 0.00 0.00 +ATOM 5312 H1 WAT X1075 27.743 8.361 41.166 0.00 0.00 +ATOM 5313 H2 WAT X1075 27.374 7.036 41.797 0.00 0.00 +ATOM 5314 O WAT X1076 43.247 48.977 50.270 0.00 0.00 +ATOM 5315 H1 WAT X1076 44.145 49.253 50.453 0.00 0.00 +ATOM 5316 H2 WAT X1076 43.075 49.295 49.384 0.00 0.00 +ATOM 5317 O WAT X1077 4.252 23.066 24.910 0.00 0.00 +ATOM 5318 H1 WAT X1077 3.466 23.147 25.450 0.00 0.00 +ATOM 5319 H2 WAT X1077 4.650 22.241 25.187 0.00 0.00 +ATOM 5320 O WAT X1078 46.472 11.792 18.387 0.00 0.00 +ATOM 5321 H1 WAT X1078 47.029 11.532 19.121 0.00 0.00 +ATOM 5322 H2 WAT X1078 46.857 11.354 17.628 0.00 0.00 +ATOM 5323 O WAT X1079 44.632 30.843 2.923 0.00 0.00 +ATOM 5324 H1 WAT X1079 44.142 31.664 2.977 0.00 0.00 +ATOM 5325 H2 WAT X1079 44.018 30.177 3.232 0.00 0.00 +ATOM 5326 O WAT X1080 1.074 16.579 54.555 0.00 0.00 +ATOM 5327 H1 WAT X1080 0.455 15.851 54.509 0.00 0.00 +ATOM 5328 H2 WAT X1080 1.594 16.501 53.755 0.00 0.00 +ATOM 5329 O WAT X1081 9.023 37.505 45.048 0.00 0.00 +ATOM 5330 H1 WAT X1081 8.693 37.547 45.945 0.00 0.00 +ATOM 5331 H2 WAT X1081 8.240 37.568 44.501 0.00 0.00 +ATOM 5332 O WAT X1082 17.654 10.501 47.304 0.00 0.00 +ATOM 5333 H1 WAT X1082 18.512 10.752 46.962 0.00 0.00 +ATOM 5334 H2 WAT X1082 17.604 10.926 48.160 0.00 0.00 +ATOM 5335 O WAT X1083 15.051 8.137 54.708 0.00 0.00 +ATOM 5336 H1 WAT X1083 15.845 8.398 54.241 0.00 0.00 +ATOM 5337 H2 WAT X1083 14.336 8.498 54.184 0.00 0.00 +ATOM 5338 O WAT X1084 17.247 8.981 31.077 0.00 0.00 +ATOM 5339 H1 WAT X1084 17.720 8.682 30.300 0.00 0.00 +ATOM 5340 H2 WAT X1084 16.818 9.790 30.799 0.00 0.00 +ATOM 5341 O WAT X1085 69.336 11.370 39.261 0.00 0.00 +ATOM 5342 H1 WAT X1085 69.131 10.555 38.804 0.00 0.00 +ATOM 5343 H2 WAT X1085 69.695 11.089 40.102 0.00 0.00 +ATOM 5344 O WAT X1086 74.352 58.804 35.223 0.00 0.00 +ATOM 5345 H1 WAT X1086 74.836 59.490 35.683 0.00 0.00 +ATOM 5346 H2 WAT X1086 75.030 58.244 34.844 0.00 0.00 +ATOM 5347 O WAT X1087 50.888 20.257 31.973 0.00 0.00 +ATOM 5348 H1 WAT X1087 50.333 19.479 32.034 0.00 0.00 +ATOM 5349 H2 WAT X1087 50.860 20.499 31.047 0.00 0.00 +ATOM 5350 O WAT X1088 58.676 19.506 18.907 0.00 0.00 +ATOM 5351 H1 WAT X1088 59.387 19.842 19.453 0.00 0.00 +ATOM 5352 H2 WAT X1088 59.118 19.003 18.222 0.00 0.00 +ATOM 5353 O WAT X1089 61.537 62.449 38.394 0.00 0.00 +ATOM 5354 H1 WAT X1089 60.756 62.307 37.859 0.00 0.00 +ATOM 5355 H2 WAT X1089 61.303 63.179 38.968 0.00 0.00 +ATOM 5356 O WAT X1090 56.231 43.377 22.371 0.00 0.00 +ATOM 5357 H1 WAT X1090 55.602 43.066 23.022 0.00 0.00 +ATOM 5358 H2 WAT X1090 56.972 42.777 22.448 0.00 0.00 +ATOM 5359 O WAT X1091 9.419 4.800 28.548 0.00 0.00 +ATOM 5360 H1 WAT X1091 10.193 4.712 29.105 0.00 0.00 +ATOM 5361 H2 WAT X1091 8.705 4.986 29.158 0.00 0.00 +ATOM 5362 O WAT X1092 58.513 21.188 1.758 0.00 0.00 +ATOM 5363 H1 WAT X1092 57.759 20.958 2.300 0.00 0.00 +ATOM 5364 H2 WAT X1092 58.688 22.105 1.970 0.00 0.00 +ATOM 5365 O WAT X1093 16.024 57.635 47.023 0.00 0.00 +ATOM 5366 H1 WAT X1093 15.906 57.080 46.253 0.00 0.00 +ATOM 5367 H2 WAT X1093 16.195 58.507 46.666 0.00 0.00 +ATOM 5368 O WAT X1094 13.546 45.102 52.378 0.00 0.00 +ATOM 5369 H1 WAT X1094 12.751 45.556 52.656 0.00 0.00 +ATOM 5370 H2 WAT X1094 13.716 44.467 53.073 0.00 0.00 +ATOM 5371 O WAT X1095 52.945 61.012 37.888 0.00 0.00 +ATOM 5372 H1 WAT X1095 53.373 60.481 38.560 0.00 0.00 +ATOM 5373 H2 WAT X1095 53.635 61.191 37.249 0.00 0.00 +ATOM 5374 O WAT X1096 20.512 54.459 37.624 0.00 0.00 +ATOM 5375 H1 WAT X1096 20.565 54.139 38.524 0.00 0.00 +ATOM 5376 H2 WAT X1096 19.574 54.553 37.458 0.00 0.00 +ATOM 5377 O WAT X1097 37.133 30.419 45.755 0.00 0.00 +ATOM 5378 H1 WAT X1097 36.997 29.543 45.394 0.00 0.00 +ATOM 5379 H2 WAT X1097 36.598 30.436 46.549 0.00 0.00 +ATOM 5380 O WAT X1098 13.271 50.857 39.156 0.00 0.00 +ATOM 5381 H1 WAT X1098 12.688 51.532 39.503 0.00 0.00 +ATOM 5382 H2 WAT X1098 12.825 50.032 39.349 0.00 0.00 +ATOM 5383 O WAT X1099 72.162 18.331 54.550 0.00 0.00 +ATOM 5384 H1 WAT X1099 72.611 17.637 55.033 0.00 0.00 +ATOM 5385 H2 WAT X1099 72.404 19.136 55.008 0.00 0.00 +ATOM 5386 O WAT X1100 58.206 13.199 51.060 0.00 0.00 +ATOM 5387 H1 WAT X1100 59.031 13.462 50.651 0.00 0.00 +ATOM 5388 H2 WAT X1100 57.597 13.905 50.845 0.00 0.00 +ATOM 5389 O WAT X1101 37.772 18.456 19.097 0.00 0.00 +ATOM 5390 H1 WAT X1101 38.478 19.075 19.284 0.00 0.00 +ATOM 5391 H2 WAT X1101 38.149 17.851 18.458 0.00 0.00 +ATOM 5392 O WAT X1102 0.227 53.849 47.621 0.00 0.00 +ATOM 5393 H1 WAT X1102 -0.415 54.556 47.559 0.00 0.00 +ATOM 5394 H2 WAT X1102 1.018 54.273 47.955 0.00 0.00 +ATOM 5395 O WAT X1103 45.080 35.010 53.759 0.00 0.00 +ATOM 5396 H1 WAT X1103 44.405 34.337 53.671 0.00 0.00 +ATOM 5397 H2 WAT X1103 45.325 35.224 52.859 0.00 0.00 +ATOM 5398 O WAT X1104 7.605 9.659 41.800 0.00 0.00 +ATOM 5399 H1 WAT X1104 8.471 9.418 42.130 0.00 0.00 +ATOM 5400 H2 WAT X1104 7.550 9.239 40.942 0.00 0.00 +ATOM 5401 O WAT X1105 52.600 45.199 8.961 0.00 0.00 +ATOM 5402 H1 WAT X1105 53.238 44.663 9.433 0.00 0.00 +ATOM 5403 H2 WAT X1105 51.785 45.087 9.450 0.00 0.00 +ATOM 5404 O WAT X1106 16.683 43.810 19.852 0.00 0.00 +ATOM 5405 H1 WAT X1106 16.092 44.557 19.950 0.00 0.00 +ATOM 5406 H2 WAT X1106 17.507 44.195 19.555 0.00 0.00 +ATOM 5407 O WAT X1107 62.379 52.240 12.073 0.00 0.00 +ATOM 5408 H1 WAT X1107 61.443 52.147 12.253 0.00 0.00 +ATOM 5409 H2 WAT X1107 62.742 52.611 12.877 0.00 0.00 +ATOM 5410 O WAT X1108 65.135 22.373 4.831 0.00 0.00 +ATOM 5411 H1 WAT X1108 64.389 22.875 4.505 0.00 0.00 +ATOM 5412 H2 WAT X1108 65.849 22.585 4.229 0.00 0.00 +ATOM 5413 O WAT X1109 35.225 36.428 54.445 0.00 0.00 +ATOM 5414 H1 WAT X1109 35.337 36.048 55.316 0.00 0.00 +ATOM 5415 H2 WAT X1109 35.240 37.374 54.593 0.00 0.00 +ATOM 5416 O WAT X1110 47.145 37.507 47.324 0.00 0.00 +ATOM 5417 H1 WAT X1110 46.901 37.899 48.163 0.00 0.00 +ATOM 5418 H2 WAT X1110 47.257 38.253 46.735 0.00 0.00 +ATOM 5419 O WAT X1111 29.999 1.904 33.221 0.00 0.00 +ATOM 5420 H1 WAT X1111 30.529 1.292 33.732 0.00 0.00 +ATOM 5421 H2 WAT X1111 29.549 2.436 33.876 0.00 0.00 +ATOM 5422 O WAT X1112 69.823 63.298 27.752 0.00 0.00 +ATOM 5423 H1 WAT X1112 70.673 62.866 27.658 0.00 0.00 +ATOM 5424 H2 WAT X1112 69.185 62.625 27.516 0.00 0.00 +ATOM 5425 O WAT X1113 72.909 49.645 55.898 0.00 0.00 +ATOM 5426 H1 WAT X1113 72.517 49.270 56.687 0.00 0.00 +ATOM 5427 H2 WAT X1113 72.166 49.815 55.319 0.00 0.00 +ATOM 5428 O WAT X1114 12.932 22.539 6.392 0.00 0.00 +ATOM 5429 H1 WAT X1114 12.417 21.795 6.081 0.00 0.00 +ATOM 5430 H2 WAT X1114 13.588 22.679 5.709 0.00 0.00 +ATOM 5431 O WAT X1115 48.878 55.013 33.047 0.00 0.00 +ATOM 5432 H1 WAT X1115 48.718 55.100 33.987 0.00 0.00 +ATOM 5433 H2 WAT X1115 48.082 54.607 32.705 0.00 0.00 +ATOM 5434 O WAT X1116 70.379 54.151 30.937 0.00 0.00 +ATOM 5435 H1 WAT X1116 70.655 54.396 31.820 0.00 0.00 +ATOM 5436 H2 WAT X1116 69.562 54.631 30.799 0.00 0.00 +ATOM 5437 O WAT X1117 59.523 39.385 2.210 0.00 0.00 +ATOM 5438 H1 WAT X1117 59.356 40.214 1.763 0.00 0.00 +ATOM 5439 H2 WAT X1117 60.094 38.901 1.613 0.00 0.00 +ATOM 5440 O WAT X1118 50.924 11.499 15.696 0.00 0.00 +ATOM 5441 H1 WAT X1118 51.839 11.766 15.778 0.00 0.00 +ATOM 5442 H2 WAT X1118 50.863 11.115 14.821 0.00 0.00 +ATOM 5443 O WAT X1119 22.466 6.352 22.810 0.00 0.00 +ATOM 5444 H1 WAT X1119 23.211 5.755 22.740 0.00 0.00 +ATOM 5445 H2 WAT X1119 22.301 6.420 23.750 0.00 0.00 +ATOM 5446 O WAT X1120 54.308 50.063 14.352 0.00 0.00 +ATOM 5447 H1 WAT X1120 53.778 50.535 14.994 0.00 0.00 +ATOM 5448 H2 WAT X1120 54.781 49.409 14.866 0.00 0.00 +ATOM 5449 O WAT X1121 57.316 57.284 28.272 0.00 0.00 +ATOM 5450 H1 WAT X1121 57.771 57.819 27.621 0.00 0.00 +ATOM 5451 H2 WAT X1121 58.015 56.810 28.723 0.00 0.00 +ATOM 5452 O WAT X1122 0.037 57.278 4.629 0.00 0.00 +ATOM 5453 H1 WAT X1122 -0.285 56.402 4.412 0.00 0.00 +ATOM 5454 H2 WAT X1122 0.836 57.122 5.131 0.00 0.00 +ATOM 5455 O WAT X1123 35.686 38.078 10.649 0.00 0.00 +ATOM 5456 H1 WAT X1123 34.983 37.444 10.786 0.00 0.00 +ATOM 5457 H2 WAT X1123 35.311 38.726 10.052 0.00 0.00 +ATOM 5458 O WAT X1124 63.232 45.020 40.887 0.00 0.00 +ATOM 5459 H1 WAT X1124 63.547 45.843 41.261 0.00 0.00 +ATOM 5460 H2 WAT X1124 62.381 44.878 41.302 0.00 0.00 +ATOM 5461 O WAT X1125 58.021 7.387 47.722 0.00 0.00 +ATOM 5462 H1 WAT X1125 57.281 6.895 47.367 0.00 0.00 +ATOM 5463 H2 WAT X1125 58.521 6.742 48.221 0.00 0.00 +ATOM 5464 O WAT X1126 5.235 26.222 0.646 0.00 0.00 +ATOM 5465 H1 WAT X1126 4.835 25.511 0.145 0.00 0.00 +ATOM 5466 H2 WAT X1126 4.706 26.991 0.435 0.00 0.00 +ATOM 5467 O WAT X1127 57.451 9.531 6.565 0.00 0.00 +ATOM 5468 H1 WAT X1127 57.026 8.770 6.170 0.00 0.00 +ATOM 5469 H2 WAT X1127 57.987 9.898 5.862 0.00 0.00 +ATOM 5470 O WAT X1128 37.744 41.090 44.759 0.00 0.00 +ATOM 5471 H1 WAT X1128 38.493 41.480 45.209 0.00 0.00 +ATOM 5472 H2 WAT X1128 37.048 41.082 45.415 0.00 0.00 +ATOM 5473 O WAT X1129 55.956 62.179 36.352 0.00 0.00 +ATOM 5474 H1 WAT X1129 56.829 61.863 36.121 0.00 0.00 +ATOM 5475 H2 WAT X1129 55.655 62.643 35.571 0.00 0.00 +ATOM 5476 O WAT X1130 56.015 51.474 27.418 0.00 0.00 +ATOM 5477 H1 WAT X1130 55.618 50.604 27.472 0.00 0.00 +ATOM 5478 H2 WAT X1130 56.130 51.626 26.480 0.00 0.00 +ATOM 5479 O WAT X1131 67.348 58.189 36.008 0.00 0.00 +ATOM 5480 H1 WAT X1131 66.788 57.557 36.458 0.00 0.00 +ATOM 5481 H2 WAT X1131 66.767 58.923 35.806 0.00 0.00 +ATOM 5482 O WAT X1132 9.228 34.938 31.925 0.00 0.00 +ATOM 5483 H1 WAT X1132 8.572 34.486 32.455 0.00 0.00 +ATOM 5484 H2 WAT X1132 9.014 34.699 31.024 0.00 0.00 +ATOM 5485 O WAT X1133 8.012 46.369 20.429 0.00 0.00 +ATOM 5486 H1 WAT X1133 7.132 46.362 20.805 0.00 0.00 +ATOM 5487 H2 WAT X1133 8.595 46.289 21.183 0.00 0.00 +ATOM 5488 O WAT X1134 38.473 9.026 28.938 0.00 0.00 +ATOM 5489 H1 WAT X1134 37.779 9.569 28.563 0.00 0.00 +ATOM 5490 H2 WAT X1134 39.029 9.644 29.414 0.00 0.00 +ATOM 5491 O WAT X1135 2.547 28.800 57.829 0.00 0.00 +ATOM 5492 H1 WAT X1135 2.721 29.704 57.567 0.00 0.00 +ATOM 5493 H2 WAT X1135 2.597 28.813 58.784 0.00 0.00 +ATOM 5494 O WAT X1136 77.666 41.535 50.630 0.00 0.00 +ATOM 5495 H1 WAT X1136 77.382 41.518 51.544 0.00 0.00 +ATOM 5496 H2 WAT X1136 77.984 42.428 50.494 0.00 0.00 +ATOM 5497 O WAT X1137 76.441 48.245 49.972 0.00 0.00 +ATOM 5498 H1 WAT X1137 76.913 49.060 49.798 0.00 0.00 +ATOM 5499 H2 WAT X1137 76.108 48.347 50.863 0.00 0.00 +ATOM 5500 O WAT X1138 13.812 41.249 2.573 0.00 0.00 +ATOM 5501 H1 WAT X1138 13.696 41.042 1.645 0.00 0.00 +ATOM 5502 H2 WAT X1138 14.757 41.351 2.679 0.00 0.00 +ATOM 5503 O WAT X1139 18.508 55.267 10.672 0.00 0.00 +ATOM 5504 H1 WAT X1139 19.293 55.393 11.205 0.00 0.00 +ATOM 5505 H2 WAT X1139 17.790 55.249 11.305 0.00 0.00 +ATOM 5506 O WAT X1140 1.033 1.085 32.551 0.00 0.00 +ATOM 5507 H1 WAT X1140 0.720 1.853 33.030 0.00 0.00 +ATOM 5508 H2 WAT X1140 1.126 0.407 33.221 0.00 0.00 +ATOM 5509 O WAT X1141 72.109 22.742 24.157 0.00 0.00 +ATOM 5510 H1 WAT X1141 71.251 23.033 23.848 0.00 0.00 +ATOM 5511 H2 WAT X1141 71.929 22.311 24.992 0.00 0.00 +ATOM 5512 O WAT X1142 4.864 39.187 28.494 0.00 0.00 +ATOM 5513 H1 WAT X1142 4.197 39.485 27.875 0.00 0.00 +ATOM 5514 H2 WAT X1142 4.427 38.509 29.009 0.00 0.00 +ATOM 5515 O WAT X1143 21.694 59.112 47.692 0.00 0.00 +ATOM 5516 H1 WAT X1143 21.762 59.827 48.324 0.00 0.00 +ATOM 5517 H2 WAT X1143 22.599 58.917 47.451 0.00 0.00 +ATOM 5518 O WAT X1144 56.689 56.199 6.535 0.00 0.00 +ATOM 5519 H1 WAT X1144 56.833 56.686 5.724 0.00 0.00 +ATOM 5520 H2 WAT X1144 57.260 56.626 7.175 0.00 0.00 +ATOM 5521 O WAT X1145 55.438 29.911 48.067 0.00 0.00 +ATOM 5522 H1 WAT X1145 55.670 29.417 48.853 0.00 0.00 +ATOM 5523 H2 WAT X1145 56.274 30.063 47.625 0.00 0.00 +ATOM 5524 O WAT X1146 3.213 15.057 28.897 0.00 0.00 +ATOM 5525 H1 WAT X1146 4.166 15.122 28.953 0.00 0.00 +ATOM 5526 H2 WAT X1146 3.057 14.421 28.198 0.00 0.00 +ATOM 5527 O WAT X1147 66.761 3.240 8.125 0.00 0.00 +ATOM 5528 H1 WAT X1147 66.075 3.353 7.467 0.00 0.00 +ATOM 5529 H2 WAT X1147 66.470 3.767 8.869 0.00 0.00 +ATOM 5530 O WAT X1148 64.214 6.702 25.932 0.00 0.00 +ATOM 5531 H1 WAT X1148 63.271 6.841 26.020 0.00 0.00 +ATOM 5532 H2 WAT X1148 64.308 5.755 25.833 0.00 0.00 +ATOM 5533 O WAT X1149 23.466 14.439 19.887 0.00 0.00 +ATOM 5534 H1 WAT X1149 24.276 14.147 20.306 0.00 0.00 +ATOM 5535 H2 WAT X1149 23.110 13.649 19.480 0.00 0.00 +ATOM 5536 O WAT X1150 72.165 48.567 58.147 0.00 0.00 +ATOM 5537 H1 WAT X1150 71.780 47.730 57.887 0.00 0.00 +ATOM 5538 H2 WAT X1150 71.449 49.038 58.572 0.00 0.00 +ATOM 5539 O WAT X1151 46.663 56.240 28.923 0.00 0.00 +ATOM 5540 H1 WAT X1151 46.489 57.082 28.503 0.00 0.00 +ATOM 5541 H2 WAT X1151 46.601 56.422 29.860 0.00 0.00 +ATOM 5542 O WAT X1152 69.895 43.809 45.604 0.00 0.00 +ATOM 5543 H1 WAT X1152 69.414 44.588 45.885 0.00 0.00 +ATOM 5544 H2 WAT X1152 70.497 43.626 46.326 0.00 0.00 +ATOM 5545 O WAT X1153 19.059 49.072 42.355 0.00 0.00 +ATOM 5546 H1 WAT X1153 18.561 49.865 42.554 0.00 0.00 +ATOM 5547 H2 WAT X1153 19.693 49.346 41.693 0.00 0.00 +ATOM 5548 O WAT X1154 11.789 10.695 32.994 0.00 0.00 +ATOM 5549 H1 WAT X1154 12.312 10.518 32.212 0.00 0.00 +ATOM 5550 H2 WAT X1154 11.484 9.834 33.279 0.00 0.00 +ATOM 5551 O WAT X1155 71.433 13.232 33.390 0.00 0.00 +ATOM 5552 H1 WAT X1155 71.080 13.742 32.661 0.00 0.00 +ATOM 5553 H2 WAT X1155 72.280 13.635 33.577 0.00 0.00 +ATOM 5554 O WAT X1156 30.824 27.648 8.448 0.00 0.00 +ATOM 5555 H1 WAT X1156 30.370 27.067 9.059 0.00 0.00 +ATOM 5556 H2 WAT X1156 31.134 27.068 7.752 0.00 0.00 +ATOM 5557 O WAT X1157 30.517 46.564 48.038 0.00 0.00 +ATOM 5558 H1 WAT X1157 31.303 46.044 48.207 0.00 0.00 +ATOM 5559 H2 WAT X1157 29.840 46.157 48.578 0.00 0.00 +ATOM 5560 O WAT X1158 17.035 46.596 56.852 0.00 0.00 +ATOM 5561 H1 WAT X1158 16.286 46.272 56.352 0.00 0.00 +ATOM 5562 H2 WAT X1158 16.680 47.313 57.377 0.00 0.00 +ATOM 5563 O WAT X1159 71.037 39.788 32.184 0.00 0.00 +ATOM 5564 H1 WAT X1159 70.346 40.450 32.180 0.00 0.00 +ATOM 5565 H2 WAT X1159 71.599 40.022 31.446 0.00 0.00 +ATOM 5566 O WAT X1160 25.662 26.928 57.171 0.00 0.00 +ATOM 5567 H1 WAT X1160 26.136 27.759 57.143 0.00 0.00 +ATOM 5568 H2 WAT X1160 24.900 27.068 56.608 0.00 0.00 +ATOM 5569 O WAT X1161 17.113 43.252 42.438 0.00 0.00 +ATOM 5570 H1 WAT X1161 16.171 43.147 42.300 0.00 0.00 +ATOM 5571 H2 WAT X1161 17.300 44.143 42.143 0.00 0.00 +ATOM 5572 O WAT X1162 15.832 18.788 46.663 0.00 0.00 +ATOM 5573 H1 WAT X1162 14.968 19.179 46.792 0.00 0.00 +ATOM 5574 H2 WAT X1162 16.381 19.192 47.335 0.00 0.00 +ATOM 5575 O WAT X1163 68.766 13.998 25.447 0.00 0.00 +ATOM 5576 H1 WAT X1163 67.898 13.996 25.043 0.00 0.00 +ATOM 5577 H2 WAT X1163 68.696 13.374 26.169 0.00 0.00 +ATOM 5578 O WAT X1164 41.105 15.459 4.175 0.00 0.00 +ATOM 5579 H1 WAT X1164 41.502 16.230 3.771 0.00 0.00 +ATOM 5580 H2 WAT X1164 41.267 14.751 3.551 0.00 0.00 +ATOM 5581 O WAT X1165 58.266 35.187 51.630 0.00 0.00 +ATOM 5582 H1 WAT X1165 58.409 35.513 52.519 0.00 0.00 +ATOM 5583 H2 WAT X1165 57.854 34.331 51.752 0.00 0.00 +ATOM 5584 O WAT X1166 20.325 16.298 42.345 0.00 0.00 +ATOM 5585 H1 WAT X1166 20.235 17.182 42.702 0.00 0.00 +ATOM 5586 H2 WAT X1166 21.196 16.015 42.622 0.00 0.00 +ATOM 5587 O WAT X1167 39.791 1.013 51.914 0.00 0.00 +ATOM 5588 H1 WAT X1167 39.436 0.597 52.699 0.00 0.00 +ATOM 5589 H2 WAT X1167 40.683 0.672 51.845 0.00 0.00 +ATOM 5590 O WAT X1168 48.387 54.718 56.469 0.00 0.00 +ATOM 5591 H1 WAT X1168 48.622 54.044 57.108 0.00 0.00 +ATOM 5592 H2 WAT X1168 47.664 55.193 56.878 0.00 0.00 +ATOM 5593 O WAT X1169 4.835 7.519 27.293 0.00 0.00 +ATOM 5594 H1 WAT X1169 4.586 7.742 26.397 0.00 0.00 +ATOM 5595 H2 WAT X1169 5.315 6.695 27.210 0.00 0.00 +ATOM 5596 O WAT X1170 48.699 60.885 11.153 0.00 0.00 +ATOM 5597 H1 WAT X1170 49.157 60.698 11.972 0.00 0.00 +ATOM 5598 H2 WAT X1170 48.003 60.229 11.112 0.00 0.00 +ATOM 5599 O WAT X1171 47.924 5.368 37.302 0.00 0.00 +ATOM 5600 H1 WAT X1171 47.549 4.489 37.240 0.00 0.00 +ATOM 5601 H2 WAT X1171 47.951 5.551 38.241 0.00 0.00 +ATOM 5602 O WAT X1172 39.531 23.590 0.800 0.00 0.00 +ATOM 5603 H1 WAT X1172 39.306 22.929 0.146 0.00 0.00 +ATOM 5604 H2 WAT X1172 40.405 23.341 1.101 0.00 0.00 +ATOM 5605 O WAT X1173 77.999 61.459 11.684 0.00 0.00 +ATOM 5606 H1 WAT X1173 78.056 61.557 10.733 0.00 0.00 +ATOM 5607 H2 WAT X1173 77.500 60.653 11.813 0.00 0.00 +ATOM 5608 O WAT X1174 57.269 31.178 10.733 0.00 0.00 +ATOM 5609 H1 WAT X1174 57.967 30.523 10.739 0.00 0.00 +ATOM 5610 H2 WAT X1174 57.247 31.497 9.831 0.00 0.00 +ATOM 5611 O WAT X1175 56.686 4.572 47.528 0.00 0.00 +ATOM 5612 H1 WAT X1175 56.882 4.924 48.396 0.00 0.00 +ATOM 5613 H2 WAT X1175 57.187 3.758 47.481 0.00 0.00 +ATOM 5614 O WAT X1176 71.244 16.419 18.706 0.00 0.00 +ATOM 5615 H1 WAT X1176 71.126 15.477 18.823 0.00 0.00 +ATOM 5616 H2 WAT X1176 71.899 16.494 18.012 0.00 0.00 +ATOM 5617 O WAT X1177 23.693 38.536 10.966 0.00 0.00 +ATOM 5618 H1 WAT X1177 24.631 38.586 10.781 0.00 0.00 +ATOM 5619 H2 WAT X1177 23.537 39.236 11.601 0.00 0.00 +ATOM 5620 O WAT X1178 61.082 52.326 23.389 0.00 0.00 +ATOM 5621 H1 WAT X1178 61.184 51.389 23.558 0.00 0.00 +ATOM 5622 H2 WAT X1178 61.421 52.750 24.178 0.00 0.00 +ATOM 5623 O WAT X1179 18.968 2.570 15.002 0.00 0.00 +ATOM 5624 H1 WAT X1179 19.494 3.359 14.873 0.00 0.00 +ATOM 5625 H2 WAT X1179 18.328 2.589 14.291 0.00 0.00 +ATOM 5626 O WAT X1180 31.337 18.060 11.073 0.00 0.00 +ATOM 5627 H1 WAT X1180 31.088 18.985 11.076 0.00 0.00 +ATOM 5628 H2 WAT X1180 31.131 17.760 10.188 0.00 0.00 +ATOM 5629 O WAT X1181 50.771 10.002 40.573 0.00 0.00 +ATOM 5630 H1 WAT X1181 51.450 9.403 40.883 0.00 0.00 +ATOM 5631 H2 WAT X1181 49.971 9.704 41.007 0.00 0.00 +ATOM 5632 O WAT X1182 58.051 50.302 31.695 0.00 0.00 +ATOM 5633 H1 WAT X1182 58.936 50.125 32.016 0.00 0.00 +ATOM 5634 H2 WAT X1182 57.839 49.546 31.148 0.00 0.00 +ATOM 5635 O WAT X1183 25.442 62.753 4.886 0.00 0.00 +ATOM 5636 H1 WAT X1183 26.259 63.221 5.058 0.00 0.00 +ATOM 5637 H2 WAT X1183 25.243 62.307 5.709 0.00 0.00 +ATOM 5638 O WAT X1184 60.504 17.537 7.517 0.00 0.00 +ATOM 5639 H1 WAT X1184 60.863 17.746 6.655 0.00 0.00 +ATOM 5640 H2 WAT X1184 59.646 17.960 7.529 0.00 0.00 +ATOM 5641 O WAT X1185 75.636 45.467 25.820 0.00 0.00 +ATOM 5642 H1 WAT X1185 74.797 45.768 25.470 0.00 0.00 +ATOM 5643 H2 WAT X1185 75.965 46.210 26.325 0.00 0.00 +ATOM 5644 O WAT X1186 75.180 61.867 29.509 0.00 0.00 +ATOM 5645 H1 WAT X1186 75.478 61.388 30.282 0.00 0.00 +ATOM 5646 H2 WAT X1186 75.544 62.746 29.617 0.00 0.00 +ATOM 5647 O WAT X1187 66.425 15.917 38.885 0.00 0.00 +ATOM 5648 H1 WAT X1187 66.594 15.343 39.632 0.00 0.00 +ATOM 5649 H2 WAT X1187 66.035 15.343 38.226 0.00 0.00 +ATOM 5650 O WAT X1188 50.640 50.898 45.316 0.00 0.00 +ATOM 5651 H1 WAT X1188 50.256 51.660 44.884 0.00 0.00 +ATOM 5652 H2 WAT X1188 51.262 50.548 44.679 0.00 0.00 +ATOM 5653 O WAT X1189 6.693 54.915 47.653 0.00 0.00 +ATOM 5654 H1 WAT X1189 5.864 54.473 47.470 0.00 0.00 +ATOM 5655 H2 WAT X1189 7.282 54.617 46.960 0.00 0.00 +ATOM 5656 O WAT X1190 21.014 13.837 31.435 0.00 0.00 +ATOM 5657 H1 WAT X1190 20.722 13.619 32.321 0.00 0.00 +ATOM 5658 H2 WAT X1190 21.229 14.768 31.476 0.00 0.00 +ATOM 5659 O WAT X1191 62.383 27.219 23.933 0.00 0.00 +ATOM 5660 H1 WAT X1191 62.533 26.274 23.956 0.00 0.00 +ATOM 5661 H2 WAT X1191 61.452 27.309 23.730 0.00 0.00 +ATOM 5662 O WAT X1192 59.976 44.023 10.361 0.00 0.00 +ATOM 5663 H1 WAT X1192 59.323 43.880 11.047 0.00 0.00 +ATOM 5664 H2 WAT X1192 59.462 44.131 9.561 0.00 0.00 +ATOM 5665 O WAT X1193 11.826 34.487 18.196 0.00 0.00 +ATOM 5666 H1 WAT X1193 12.416 34.197 17.500 0.00 0.00 +ATOM 5667 H2 WAT X1193 12.222 34.152 19.001 0.00 0.00 +ATOM 5668 O WAT X1194 62.186 60.782 49.276 0.00 0.00 +ATOM 5669 H1 WAT X1194 61.701 60.353 48.571 0.00 0.00 +ATOM 5670 H2 WAT X1194 62.812 61.348 48.825 0.00 0.00 +ATOM 5671 O WAT X1195 11.880 4.059 45.376 0.00 0.00 +ATOM 5672 H1 WAT X1195 12.047 5.001 45.331 0.00 0.00 +ATOM 5673 H2 WAT X1195 11.120 3.924 44.810 0.00 0.00 +ATOM 5674 O WAT X1196 47.913 10.668 35.798 0.00 0.00 +ATOM 5675 H1 WAT X1196 48.111 10.747 36.731 0.00 0.00 +ATOM 5676 H2 WAT X1196 48.316 9.841 35.536 0.00 0.00 +ATOM 5677 O WAT X1197 10.348 20.402 23.762 0.00 0.00 +ATOM 5678 H1 WAT X1197 11.051 20.148 23.163 0.00 0.00 +ATOM 5679 H2 WAT X1197 10.181 21.322 23.558 0.00 0.00 +ATOM 5680 O WAT X1198 29.009 28.742 0.812 0.00 0.00 +ATOM 5681 H1 WAT X1198 28.676 28.543 1.687 0.00 0.00 +ATOM 5682 H2 WAT X1198 29.563 29.512 0.936 0.00 0.00 +ATOM 5683 O WAT X1199 67.105 42.695 14.515 0.00 0.00 +ATOM 5684 H1 WAT X1199 67.928 42.919 14.081 0.00 0.00 +ATOM 5685 H2 WAT X1199 66.707 42.035 13.947 0.00 0.00 +ATOM 5686 O WAT X1200 46.411 19.580 22.410 0.00 0.00 +ATOM 5687 H1 WAT X1200 46.530 18.684 22.094 0.00 0.00 +ATOM 5688 H2 WAT X1200 46.086 20.061 21.649 0.00 0.00 +ATOM 5689 O WAT X1201 65.410 61.106 53.101 0.00 0.00 +ATOM 5690 H1 WAT X1201 64.831 61.577 53.701 0.00 0.00 +ATOM 5691 H2 WAT X1201 65.760 60.385 53.624 0.00 0.00 +ATOM 5692 O WAT X1202 31.655 17.562 2.291 0.00 0.00 +ATOM 5693 H1 WAT X1202 32.017 17.558 3.177 0.00 0.00 +ATOM 5694 H2 WAT X1202 32.419 17.487 1.720 0.00 0.00 +ATOM 5695 O WAT X1203 35.380 10.229 10.393 0.00 0.00 +ATOM 5696 H1 WAT X1203 35.017 11.035 10.758 0.00 0.00 +ATOM 5697 H2 WAT X1203 35.555 9.678 11.156 0.00 0.00 +ATOM 5698 O WAT X1204 47.977 28.091 56.730 0.00 0.00 +ATOM 5699 H1 WAT X1204 48.792 28.529 56.974 0.00 0.00 +ATOM 5700 H2 WAT X1204 47.618 27.773 57.559 0.00 0.00 +ATOM 5701 O WAT X1205 2.563 63.403 35.211 0.00 0.00 +ATOM 5702 H1 WAT X1205 3.113 62.872 34.636 0.00 0.00 +ATOM 5703 H2 WAT X1205 2.042 62.766 35.700 0.00 0.00 +ATOM 5704 O WAT X1206 74.306 3.290 50.787 0.00 0.00 +ATOM 5705 H1 WAT X1206 73.509 2.829 50.523 0.00 0.00 +ATOM 5706 H2 WAT X1206 74.795 3.409 49.973 0.00 0.00 +ATOM 5707 O WAT X1207 11.998 40.160 29.694 0.00 0.00 +ATOM 5708 H1 WAT X1207 11.208 39.633 29.811 0.00 0.00 +ATOM 5709 H2 WAT X1207 12.550 39.934 30.443 0.00 0.00 +ATOM 5710 O WAT X1208 16.604 16.281 37.251 0.00 0.00 +ATOM 5711 H1 WAT X1208 16.556 15.703 38.013 0.00 0.00 +ATOM 5712 H2 WAT X1208 15.695 16.378 36.967 0.00 0.00 +ATOM 5713 O WAT X1209 65.539 22.990 26.754 0.00 0.00 +ATOM 5714 H1 WAT X1209 66.196 22.816 26.080 0.00 0.00 +ATOM 5715 H2 WAT X1209 65.014 22.191 26.790 0.00 0.00 +ATOM 5716 O WAT X1210 63.707 11.829 51.515 0.00 0.00 +ATOM 5717 H1 WAT X1210 63.711 11.522 52.421 0.00 0.00 +ATOM 5718 H2 WAT X1210 62.993 12.466 51.480 0.00 0.00 +ATOM 5719 O WAT X1211 66.272 15.597 18.798 0.00 0.00 +ATOM 5720 H1 WAT X1211 67.177 15.817 19.019 0.00 0.00 +ATOM 5721 H2 WAT X1211 65.800 15.661 19.629 0.00 0.00 +ATOM 5722 O WAT X1212 66.983 27.965 31.274 0.00 0.00 +ATOM 5723 H1 WAT X1212 67.872 27.610 31.304 0.00 0.00 +ATOM 5724 H2 WAT X1212 66.855 28.214 30.359 0.00 0.00 +ATOM 5725 O WAT X1213 36.915 20.850 18.066 0.00 0.00 +ATOM 5726 H1 WAT X1213 37.325 21.117 17.243 0.00 0.00 +ATOM 5727 H2 WAT X1213 36.954 19.894 18.054 0.00 0.00 +ATOM 5728 O WAT X1214 27.705 14.602 8.098 0.00 0.00 +ATOM 5729 H1 WAT X1214 27.124 14.269 8.782 0.00 0.00 +ATOM 5730 H2 WAT X1214 27.571 15.550 8.111 0.00 0.00 +ATOM 5731 O WAT X1215 66.000 30.175 6.991 0.00 0.00 +ATOM 5732 H1 WAT X1215 66.853 30.287 6.572 0.00 0.00 +ATOM 5733 H2 WAT X1215 65.456 29.761 6.321 0.00 0.00 +ATOM 5734 O WAT X1216 50.260 41.468 11.191 0.00 0.00 +ATOM 5735 H1 WAT X1216 50.962 40.978 10.762 0.00 0.00 +ATOM 5736 H2 WAT X1216 50.291 41.181 12.104 0.00 0.00 +ATOM 5737 O WAT X1217 52.911 37.489 5.844 0.00 0.00 +ATOM 5738 H1 WAT X1217 52.061 37.879 5.638 0.00 0.00 +ATOM 5739 H2 WAT X1217 53.214 37.967 6.616 0.00 0.00 +ATOM 5740 O WAT X1218 3.240 38.709 26.082 0.00 0.00 +ATOM 5741 H1 WAT X1218 3.290 37.991 25.451 0.00 0.00 +ATOM 5742 H2 WAT X1218 2.354 38.653 26.439 0.00 0.00 +ATOM 5743 O WAT X1219 8.306 53.332 4.482 0.00 0.00 +ATOM 5744 H1 WAT X1219 7.368 53.265 4.661 0.00 0.00 +ATOM 5745 H2 WAT X1219 8.552 54.196 4.813 0.00 0.00 +ATOM 5746 O WAT X1220 54.709 39.226 42.961 0.00 0.00 +ATOM 5747 H1 WAT X1220 54.829 39.306 43.908 0.00 0.00 +ATOM 5748 H2 WAT X1220 55.041 40.052 42.607 0.00 0.00 +ATOM 5749 O WAT X1221 27.235 10.208 10.163 0.00 0.00 +ATOM 5750 H1 WAT X1221 27.738 11.021 10.224 0.00 0.00 +ATOM 5751 H2 WAT X1221 27.827 9.593 9.730 0.00 0.00 +ATOM 5752 O WAT X1222 67.196 4.924 29.540 0.00 0.00 +ATOM 5753 H1 WAT X1222 67.525 4.395 30.266 0.00 0.00 +ATOM 5754 H2 WAT X1222 67.539 4.495 28.756 0.00 0.00 +ATOM 5755 O WAT X1223 13.570 59.307 21.033 0.00 0.00 +ATOM 5756 H1 WAT X1223 12.780 59.348 20.493 0.00 0.00 +ATOM 5757 H2 WAT X1223 14.195 59.879 20.587 0.00 0.00 +ATOM 5758 O WAT X1224 4.593 31.373 12.742 0.00 0.00 +ATOM 5759 H1 WAT X1224 5.159 31.866 12.149 0.00 0.00 +ATOM 5760 H2 WAT X1224 4.084 30.801 12.168 0.00 0.00 +ATOM 5761 O WAT X1225 51.488 26.373 52.718 0.00 0.00 +ATOM 5762 H1 WAT X1225 50.707 26.293 52.171 0.00 0.00 +ATOM 5763 H2 WAT X1225 51.149 26.553 53.595 0.00 0.00 +ATOM 5764 O WAT X1226 60.482 8.907 6.472 0.00 0.00 +ATOM 5765 H1 WAT X1226 60.805 8.709 7.351 0.00 0.00 +ATOM 5766 H2 WAT X1226 59.589 9.223 6.611 0.00 0.00 +ATOM 5767 O WAT X1227 30.902 12.326 53.846 0.00 0.00 +ATOM 5768 H1 WAT X1227 30.415 11.572 54.180 0.00 0.00 +ATOM 5769 H2 WAT X1227 31.349 11.996 53.067 0.00 0.00 +ATOM 5770 O WAT X1228 66.299 23.152 13.071 0.00 0.00 +ATOM 5771 H1 WAT X1228 65.377 23.124 13.328 0.00 0.00 +ATOM 5772 H2 WAT X1228 66.386 22.459 12.416 0.00 0.00 +ATOM 5773 O WAT X1229 31.683 58.989 53.333 0.00 0.00 +ATOM 5774 H1 WAT X1229 32.294 59.526 52.828 0.00 0.00 +ATOM 5775 H2 WAT X1229 31.920 59.152 54.247 0.00 0.00 +ATOM 5776 O WAT X1230 8.710 53.505 12.086 0.00 0.00 +ATOM 5777 H1 WAT X1230 9.235 54.306 12.083 0.00 0.00 +ATOM 5778 H2 WAT X1230 8.882 53.111 12.941 0.00 0.00 +ATOM 5779 O WAT X1231 15.511 21.943 36.703 0.00 0.00 +ATOM 5780 H1 WAT X1231 15.084 21.686 37.521 0.00 0.00 +ATOM 5781 H2 WAT X1231 15.664 21.117 36.244 0.00 0.00 +ATOM 5782 O WAT X1232 70.984 52.614 0.102 0.00 0.00 +ATOM 5783 H1 WAT X1232 70.723 53.467 0.449 0.00 0.00 +ATOM 5784 H2 WAT X1232 71.119 52.071 0.878 0.00 0.00 +ATOM 5785 O WAT X1233 61.395 21.683 44.038 0.00 0.00 +ATOM 5786 H1 WAT X1233 61.241 22.217 43.259 0.00 0.00 +ATOM 5787 H2 WAT X1233 61.863 20.914 43.712 0.00 0.00 +ATOM 5788 O WAT X1234 23.839 16.799 14.258 0.00 0.00 +ATOM 5789 H1 WAT X1234 23.174 16.730 14.944 0.00 0.00 +ATOM 5790 H2 WAT X1234 24.631 16.439 14.656 0.00 0.00 +ATOM 5791 O WAT X1235 74.289 5.920 3.408 0.00 0.00 +ATOM 5792 H1 WAT X1235 74.646 6.730 3.772 0.00 0.00 +ATOM 5793 H2 WAT X1235 74.740 5.816 2.570 0.00 0.00 +ATOM 5794 O WAT X1236 24.039 24.771 40.315 0.00 0.00 +ATOM 5795 H1 WAT X1236 23.475 24.261 39.734 0.00 0.00 +ATOM 5796 H2 WAT X1236 24.917 24.668 39.949 0.00 0.00 +ATOM 5797 O WAT X1237 28.528 54.531 16.445 0.00 0.00 +ATOM 5798 H1 WAT X1237 28.455 54.989 15.608 0.00 0.00 +ATOM 5799 H2 WAT X1237 27.705 54.722 16.896 0.00 0.00 +ATOM 5800 O WAT X1238 30.990 43.018 22.716 0.00 0.00 +ATOM 5801 H1 WAT X1238 30.745 43.136 23.633 0.00 0.00 +ATOM 5802 H2 WAT X1238 31.911 42.756 22.746 0.00 0.00 +ATOM 5803 O WAT X1239 10.960 53.824 27.606 0.00 0.00 +ATOM 5804 H1 WAT X1239 10.135 54.299 27.500 0.00 0.00 +ATOM 5805 H2 WAT X1239 10.987 53.222 26.862 0.00 0.00 +ATOM 5806 O WAT X1240 26.320 2.862 7.060 0.00 0.00 +ATOM 5807 H1 WAT X1240 26.768 2.494 6.298 0.00 0.00 +ATOM 5808 H2 WAT X1240 27.026 3.169 7.628 0.00 0.00 +ATOM 5809 O WAT X1241 10.897 39.505 37.700 0.00 0.00 +ATOM 5810 H1 WAT X1241 10.435 39.855 38.462 0.00 0.00 +ATOM 5811 H2 WAT X1241 11.521 40.191 37.463 0.00 0.00 +ATOM 5812 O WAT X1242 5.938 33.769 46.388 0.00 0.00 +ATOM 5813 H1 WAT X1242 5.676 33.478 47.261 0.00 0.00 +ATOM 5814 H2 WAT X1242 5.249 34.379 46.122 0.00 0.00 +ATOM 5815 O WAT X1243 76.592 44.374 6.475 0.00 0.00 +ATOM 5816 H1 WAT X1243 77.019 45.064 6.982 0.00 0.00 +ATOM 5817 H2 WAT X1243 76.702 43.585 7.006 0.00 0.00 +ATOM 5818 O WAT X1244 68.230 15.598 51.424 0.00 0.00 +ATOM 5819 H1 WAT X1244 67.801 16.141 50.762 0.00 0.00 +ATOM 5820 H2 WAT X1244 68.748 16.215 51.940 0.00 0.00 +ATOM 5821 O WAT X1245 53.927 29.782 10.319 0.00 0.00 +ATOM 5822 H1 WAT X1245 54.521 29.973 9.593 0.00 0.00 +ATOM 5823 H2 WAT X1245 53.051 29.856 9.938 0.00 0.00 +ATOM 5824 O WAT X1246 0.414 23.353 33.566 0.00 0.00 +ATOM 5825 H1 WAT X1246 0.285 23.190 34.500 0.00 0.00 +ATOM 5826 H2 WAT X1246 0.971 24.131 33.533 0.00 0.00 +ATOM 5827 O WAT X1247 63.829 33.758 35.679 0.00 0.00 +ATOM 5828 H1 WAT X1247 64.468 34.352 35.284 0.00 0.00 +ATOM 5829 H2 WAT X1247 63.859 33.962 36.613 0.00 0.00 +ATOM 5830 O WAT X1248 34.249 62.074 41.060 0.00 0.00 +ATOM 5831 H1 WAT X1248 34.879 61.465 40.674 0.00 0.00 +ATOM 5832 H2 WAT X1248 34.045 62.687 40.354 0.00 0.00 +ATOM 5833 O WAT X1249 59.647 22.691 50.208 0.00 0.00 +ATOM 5834 H1 WAT X1249 58.732 22.923 50.367 0.00 0.00 +ATOM 5835 H2 WAT X1249 59.622 22.141 49.425 0.00 0.00 +ATOM 5836 O WAT X1250 47.068 5.750 33.663 0.00 0.00 +ATOM 5837 H1 WAT X1250 47.578 5.510 32.890 0.00 0.00 +ATOM 5838 H2 WAT X1250 46.203 5.973 33.320 0.00 0.00 +ATOM 5839 O WAT X1251 70.502 0.754 20.433 0.00 0.00 +ATOM 5840 H1 WAT X1251 70.955 -0.063 20.639 0.00 0.00 +ATOM 5841 H2 WAT X1251 70.047 0.986 21.243 0.00 0.00 +ATOM 5842 O WAT X1252 20.542 27.121 4.467 0.00 0.00 +ATOM 5843 H1 WAT X1252 19.966 26.402 4.209 0.00 0.00 +ATOM 5844 H2 WAT X1252 20.974 27.386 3.655 0.00 0.00 +ATOM 5845 O WAT X1253 17.148 23.088 17.426 0.00 0.00 +ATOM 5846 H1 WAT X1253 16.854 22.179 17.372 0.00 0.00 +ATOM 5847 H2 WAT X1253 17.470 23.288 16.547 0.00 0.00 +ATOM 5848 O WAT X1254 54.526 14.280 26.536 0.00 0.00 +ATOM 5849 H1 WAT X1254 53.792 13.668 26.484 0.00 0.00 +ATOM 5850 H2 WAT X1254 54.303 14.974 25.916 0.00 0.00 +ATOM 5851 O WAT X1255 18.711 47.982 55.181 0.00 0.00 +ATOM 5852 H1 WAT X1255 18.608 48.817 55.639 0.00 0.00 +ATOM 5853 H2 WAT X1255 18.206 47.359 55.703 0.00 0.00 +ATOM 5854 O WAT X1256 74.561 40.557 25.741 0.00 0.00 +ATOM 5855 H1 WAT X1256 74.082 39.799 25.404 0.00 0.00 +ATOM 5856 H2 WAT X1256 74.782 40.320 26.641 0.00 0.00 +ATOM 5857 O WAT X1257 70.074 8.668 20.696 0.00 0.00 +ATOM 5858 H1 WAT X1257 70.004 9.604 20.507 0.00 0.00 +ATOM 5859 H2 WAT X1257 70.822 8.600 21.290 0.00 0.00 +ATOM 5860 O WAT X1258 70.959 46.969 11.032 0.00 0.00 +ATOM 5861 H1 WAT X1258 71.737 47.398 11.389 0.00 0.00 +ATOM 5862 H2 WAT X1258 70.464 47.677 10.618 0.00 0.00 +ATOM 5863 O WAT X1259 70.048 61.816 5.709 0.00 0.00 +ATOM 5864 H1 WAT X1259 70.480 61.872 6.561 0.00 0.00 +ATOM 5865 H2 WAT X1259 69.731 62.703 5.542 0.00 0.00 +ATOM 5866 O WAT X1260 12.732 17.192 20.815 0.00 0.00 +ATOM 5867 H1 WAT X1260 13.660 16.958 20.793 0.00 0.00 +ATOM 5868 H2 WAT X1260 12.415 17.000 19.932 0.00 0.00 +ATOM 5869 O WAT X1261 22.618 39.388 50.996 0.00 0.00 +ATOM 5870 H1 WAT X1261 22.001 39.532 50.278 0.00 0.00 +ATOM 5871 H2 WAT X1261 22.550 40.178 51.532 0.00 0.00 +ATOM 5872 O WAT X1262 47.724 20.024 2.099 0.00 0.00 +ATOM 5873 H1 WAT X1262 46.856 20.421 2.169 0.00 0.00 +ATOM 5874 H2 WAT X1262 48.330 20.763 2.149 0.00 0.00 +ATOM 5875 O WAT X1263 55.616 29.635 16.715 0.00 0.00 +ATOM 5876 H1 WAT X1263 55.240 29.587 17.594 0.00 0.00 +ATOM 5877 H2 WAT X1263 56.555 29.748 16.862 0.00 0.00 +ATOM 5878 O WAT X1264 66.436 44.316 49.029 0.00 0.00 +ATOM 5879 H1 WAT X1264 67.259 43.847 49.174 0.00 0.00 +ATOM 5880 H2 WAT X1264 66.130 44.540 49.907 0.00 0.00 +ATOM 5881 O WAT X1265 11.370 10.049 45.735 0.00 0.00 +ATOM 5882 H1 WAT X1265 12.159 10.415 45.335 0.00 0.00 +ATOM 5883 H2 WAT X1265 11.557 10.043 46.674 0.00 0.00 +ATOM 5884 O WAT X1266 54.146 54.243 13.989 0.00 0.00 +ATOM 5885 H1 WAT X1266 54.261 54.619 13.116 0.00 0.00 +ATOM 5886 H2 WAT X1266 53.199 54.238 14.125 0.00 0.00 +ATOM 5887 O WAT X1267 3.097 32.788 45.264 0.00 0.00 +ATOM 5888 H1 WAT X1267 3.088 33.728 45.444 0.00 0.00 +ATOM 5889 H2 WAT X1267 3.015 32.379 46.126 0.00 0.00 +ATOM 5890 O WAT X1268 75.886 25.922 2.292 0.00 0.00 +ATOM 5891 H1 WAT X1268 75.552 26.161 1.427 0.00 0.00 +ATOM 5892 H2 WAT X1268 75.983 24.971 2.258 0.00 0.00 +ATOM 5893 O WAT X1269 69.149 33.051 27.406 0.00 0.00 +ATOM 5894 H1 WAT X1269 69.553 33.551 28.115 0.00 0.00 +ATOM 5895 H2 WAT X1269 68.572 33.677 26.969 0.00 0.00 +ATOM 5896 O WAT X1270 72.922 38.430 18.146 0.00 0.00 +ATOM 5897 H1 WAT X1270 73.006 37.818 17.415 0.00 0.00 +ATOM 5898 H2 WAT X1270 72.011 38.343 18.427 0.00 0.00 +ATOM 5899 O WAT X1271 20.787 32.258 38.068 0.00 0.00 +ATOM 5900 H1 WAT X1271 20.546 32.006 37.176 0.00 0.00 +ATOM 5901 H2 WAT X1271 21.227 33.102 37.967 0.00 0.00 +ATOM 5902 O WAT X1272 3.327 42.693 27.161 0.00 0.00 +ATOM 5903 H1 WAT X1272 2.640 42.196 27.604 0.00 0.00 +ATOM 5904 H2 WAT X1272 4.136 42.424 27.597 0.00 0.00 +ATOM 5905 O WAT X1273 26.340 3.459 3.303 0.00 0.00 +ATOM 5906 H1 WAT X1273 26.653 2.594 3.037 0.00 0.00 +ATOM 5907 H2 WAT X1273 25.391 3.416 3.187 0.00 0.00 +ATOM 5908 O WAT X1274 45.951 14.002 15.800 0.00 0.00 +ATOM 5909 H1 WAT X1274 46.653 13.949 16.448 0.00 0.00 +ATOM 5910 H2 WAT X1274 46.295 14.585 15.122 0.00 0.00 +ATOM 5911 O WAT X1275 1.772 35.156 30.949 0.00 0.00 +ATOM 5912 H1 WAT X1275 1.444 34.351 30.547 0.00 0.00 +ATOM 5913 H2 WAT X1275 1.156 35.337 31.659 0.00 0.00 +ATOM 5914 O WAT X1276 14.862 48.165 47.224 0.00 0.00 +ATOM 5915 H1 WAT X1276 15.086 47.603 47.966 0.00 0.00 +ATOM 5916 H2 WAT X1276 15.114 49.044 47.505 0.00 0.00 +ATOM 5917 O WAT X1277 64.501 34.519 4.625 0.00 0.00 +ATOM 5918 H1 WAT X1277 63.808 33.859 4.627 0.00 0.00 +ATOM 5919 H2 WAT X1277 65.226 34.104 4.158 0.00 0.00 +ATOM 5920 O WAT X1278 43.298 43.385 56.154 0.00 0.00 +ATOM 5921 H1 WAT X1278 43.167 42.704 55.493 0.00 0.00 +ATOM 5922 H2 WAT X1278 44.029 43.905 55.820 0.00 0.00 +ATOM 5923 O WAT X1279 49.606 47.936 9.083 0.00 0.00 +ATOM 5924 H1 WAT X1279 48.902 47.476 8.625 0.00 0.00 +ATOM 5925 H2 WAT X1279 49.491 47.694 10.002 0.00 0.00 +ATOM 5926 O WAT X1280 74.711 40.326 13.213 0.00 0.00 +ATOM 5927 H1 WAT X1280 75.539 40.317 12.734 0.00 0.00 +ATOM 5928 H2 WAT X1280 74.490 39.402 13.328 0.00 0.00 +ATOM 5929 O WAT X1281 22.512 5.056 11.146 0.00 0.00 +ATOM 5930 H1 WAT X1281 22.342 4.130 11.315 0.00 0.00 +ATOM 5931 H2 WAT X1281 23.461 5.108 11.027 0.00 0.00 +ATOM 5932 O WAT X1282 67.844 57.296 3.221 0.00 0.00 +ATOM 5933 H1 WAT X1282 67.905 56.341 3.269 0.00 0.00 +ATOM 5934 H2 WAT X1282 68.749 57.588 3.110 0.00 0.00 +ATOM 5935 O WAT X1283 58.830 61.257 45.318 0.00 0.00 +ATOM 5936 H1 WAT X1283 58.380 61.408 44.487 0.00 0.00 +ATOM 5937 H2 WAT X1283 58.147 61.353 45.982 0.00 0.00 +ATOM 5938 O WAT X1284 41.476 45.868 54.147 0.00 0.00 +ATOM 5939 H1 WAT X1284 41.425 46.585 54.780 0.00 0.00 +ATOM 5940 H2 WAT X1284 41.479 46.301 53.294 0.00 0.00 +ATOM 5941 O WAT X1285 62.412 38.500 4.017 0.00 0.00 +ATOM 5942 H1 WAT X1285 62.412 37.546 3.934 0.00 0.00 +ATOM 5943 H2 WAT X1285 61.485 38.739 4.035 0.00 0.00 +ATOM 5944 O WAT X1286 22.708 8.689 45.321 0.00 0.00 +ATOM 5945 H1 WAT X1286 22.912 9.244 46.074 0.00 0.00 +ATOM 5946 H2 WAT X1286 23.054 7.829 45.556 0.00 0.00 +ATOM 5947 O WAT X1287 1.307 5.907 2.076 0.00 0.00 +ATOM 5948 H1 WAT X1287 1.895 5.156 1.986 0.00 0.00 +ATOM 5949 H2 WAT X1287 1.823 6.560 2.548 0.00 0.00 +ATOM 5950 O WAT X1288 63.584 14.586 0.707 0.00 0.00 +ATOM 5951 H1 WAT X1288 62.705 14.730 0.356 0.00 0.00 +ATOM 5952 H2 WAT X1288 63.458 14.539 1.655 0.00 0.00 +ATOM 5953 O WAT X1289 18.432 28.189 44.999 0.00 0.00 +ATOM 5954 H1 WAT X1289 17.969 28.052 44.173 0.00 0.00 +ATOM 5955 H2 WAT X1289 18.258 27.396 45.505 0.00 0.00 +ATOM 5956 O WAT X1290 3.360 10.534 50.099 0.00 0.00 +ATOM 5957 H1 WAT X1290 2.422 10.356 50.165 0.00 0.00 +ATOM 5958 H2 WAT X1290 3.706 9.804 49.585 0.00 0.00 +ATOM 5959 O WAT X1291 27.419 53.967 40.244 0.00 0.00 +ATOM 5960 H1 WAT X1291 27.162 54.199 41.136 0.00 0.00 +ATOM 5961 H2 WAT X1291 26.821 54.464 39.685 0.00 0.00 +ATOM 5962 O WAT X1292 31.192 39.179 0.961 0.00 0.00 +ATOM 5963 H1 WAT X1292 31.430 38.586 1.674 0.00 0.00 +ATOM 5964 H2 WAT X1292 31.407 38.694 0.165 0.00 0.00 +ATOM 5965 O WAT X1293 53.067 15.773 49.655 0.00 0.00 +ATOM 5966 H1 WAT X1293 53.185 15.495 48.747 0.00 0.00 +ATOM 5967 H2 WAT X1293 53.945 15.731 50.034 0.00 0.00 +ATOM 5968 O WAT X1294 14.547 43.606 35.775 0.00 0.00 +ATOM 5969 H1 WAT X1294 13.712 44.059 35.661 0.00 0.00 +ATOM 5970 H2 WAT X1294 15.128 44.009 35.130 0.00 0.00 +ATOM 5971 O WAT X1295 13.385 14.527 1.596 0.00 0.00 +ATOM 5972 H1 WAT X1295 13.311 13.680 1.155 0.00 0.00 +ATOM 5973 H2 WAT X1295 12.512 14.914 1.518 0.00 0.00 +ATOM 5974 O WAT X1296 39.845 45.246 14.290 0.00 0.00 +ATOM 5975 H1 WAT X1296 40.158 45.575 13.446 0.00 0.00 +ATOM 5976 H2 WAT X1296 39.808 46.022 14.850 0.00 0.00 +ATOM 5977 O WAT X1297 3.082 54.636 16.774 0.00 0.00 +ATOM 5978 H1 WAT X1297 3.353 54.542 17.687 0.00 0.00 +ATOM 5979 H2 WAT X1297 3.456 53.873 16.333 0.00 0.00 +ATOM 5980 O WAT X1298 71.377 9.213 9.856 0.00 0.00 +ATOM 5981 H1 WAT X1298 71.208 9.680 9.038 0.00 0.00 +ATOM 5982 H2 WAT X1298 71.383 9.898 10.525 0.00 0.00 +ATOM 5983 O WAT X1299 6.327 46.770 52.153 0.00 0.00 +ATOM 5984 H1 WAT X1299 6.533 47.075 51.269 0.00 0.00 +ATOM 5985 H2 WAT X1299 5.853 45.950 52.019 0.00 0.00 +ATOM 5986 O WAT X1300 27.458 43.332 1.728 0.00 0.00 +ATOM 5987 H1 WAT X1300 28.164 43.893 2.048 0.00 0.00 +ATOM 5988 H2 WAT X1300 27.815 42.445 1.776 0.00 0.00 +ATOM 5989 O WAT X1301 10.751 42.561 30.060 0.00 0.00 +ATOM 5990 H1 WAT X1301 11.449 41.953 30.305 0.00 0.00 +ATOM 5991 H2 WAT X1301 11.123 43.078 29.346 0.00 0.00 +ATOM 5992 O WAT X1302 6.224 29.515 26.059 0.00 0.00 +ATOM 5993 H1 WAT X1302 6.432 28.670 26.456 0.00 0.00 +ATOM 5994 H2 WAT X1302 5.826 29.292 25.217 0.00 0.00 +ATOM 5995 O WAT X1303 65.339 22.962 1.746 0.00 0.00 +ATOM 5996 H1 WAT X1303 66.083 23.400 2.159 0.00 0.00 +ATOM 5997 H2 WAT X1303 65.471 22.033 1.938 0.00 0.00 +ATOM 5998 O WAT X1304 31.408 33.331 45.625 0.00 0.00 +ATOM 5999 H1 WAT X1304 31.625 32.592 46.194 0.00 0.00 +ATOM 6000 H2 WAT X1304 30.459 33.275 45.511 0.00 0.00 +ATOM 6001 O WAT X1305 33.613 57.643 4.531 0.00 0.00 +ATOM 6002 H1 WAT X1305 33.024 58.357 4.773 0.00 0.00 +ATOM 6003 H2 WAT X1305 33.363 56.921 5.107 0.00 0.00 +ATOM 6004 O WAT X1306 54.694 61.307 32.011 0.00 0.00 +ATOM 6005 H1 WAT X1306 54.977 61.230 31.100 0.00 0.00 +ATOM 6006 H2 WAT X1306 54.336 60.446 32.225 0.00 0.00 +ATOM 6007 O WAT X1307 61.419 29.114 56.919 0.00 0.00 +ATOM 6008 H1 WAT X1307 61.316 29.591 56.096 0.00 0.00 +ATOM 6009 H2 WAT X1307 62.019 28.398 56.708 0.00 0.00 +ATOM 6010 O WAT X1308 65.814 6.760 23.742 0.00 0.00 +ATOM 6011 H1 WAT X1308 65.075 7.041 24.282 0.00 0.00 +ATOM 6012 H2 WAT X1308 65.634 5.839 23.551 0.00 0.00 +ATOM 6013 O WAT X1309 64.825 31.902 10.752 0.00 0.00 +ATOM 6014 H1 WAT X1309 65.091 32.531 11.423 0.00 0.00 +ATOM 6015 H2 WAT X1309 64.917 32.379 9.927 0.00 0.00 +ATOM 6016 O WAT X1310 31.519 22.411 52.009 0.00 0.00 +ATOM 6017 H1 WAT X1310 32.074 22.246 52.772 0.00 0.00 +ATOM 6018 H2 WAT X1310 31.186 23.298 52.143 0.00 0.00 +ATOM 6019 O WAT X1311 7.770 3.783 14.608 0.00 0.00 +ATOM 6020 H1 WAT X1311 6.950 4.135 14.954 0.00 0.00 +ATOM 6021 H2 WAT X1311 7.563 2.877 14.377 0.00 0.00 +ATOM 6022 O WAT X1312 25.275 38.921 1.786 0.00 0.00 +ATOM 6023 H1 WAT X1312 25.159 37.978 1.671 0.00 0.00 +ATOM 6024 H2 WAT X1312 26.039 39.135 1.251 0.00 0.00 +ATOM 6025 O WAT X1313 74.558 61.562 39.417 0.00 0.00 +ATOM 6026 H1 WAT X1313 74.284 60.815 39.950 0.00 0.00 +ATOM 6027 H2 WAT X1313 73.957 62.265 39.664 0.00 0.00 +ATOM 6028 O WAT X1314 25.226 5.034 10.841 0.00 0.00 +ATOM 6029 H1 WAT X1314 25.644 4.343 10.326 0.00 0.00 +ATOM 6030 H2 WAT X1314 25.947 5.607 11.103 0.00 0.00 +ATOM 6031 O WAT X1315 42.250 13.241 11.010 0.00 0.00 +ATOM 6032 H1 WAT X1315 41.977 13.886 10.358 0.00 0.00 +ATOM 6033 H2 WAT X1315 42.846 13.721 11.586 0.00 0.00 +ATOM 6034 O WAT X1316 31.865 58.392 19.250 0.00 0.00 +ATOM 6035 H1 WAT X1316 31.875 58.576 20.189 0.00 0.00 +ATOM 6036 H2 WAT X1316 31.269 57.649 19.157 0.00 0.00 +ATOM 6037 O WAT X1317 71.944 32.322 36.172 0.00 0.00 +ATOM 6038 H1 WAT X1317 72.129 31.461 36.546 0.00 0.00 +ATOM 6039 H2 WAT X1317 71.457 32.781 36.856 0.00 0.00 +ATOM 6040 O WAT X1318 61.213 33.102 40.482 0.00 0.00 +ATOM 6041 H1 WAT X1318 60.926 32.941 41.381 0.00 0.00 +ATOM 6042 H2 WAT X1318 61.502 34.014 40.483 0.00 0.00 +ATOM 6043 O WAT X1319 4.408 46.270 15.331 0.00 0.00 +ATOM 6044 H1 WAT X1319 4.139 45.360 15.453 0.00 0.00 +ATOM 6045 H2 WAT X1319 4.897 46.484 16.127 0.00 0.00 +ATOM 6046 O WAT X1320 49.831 15.916 5.274 0.00 0.00 +ATOM 6047 H1 WAT X1320 49.098 15.302 5.250 0.00 0.00 +ATOM 6048 H2 WAT X1320 50.034 16.083 4.354 0.00 0.00 +ATOM 6049 O WAT X1321 6.367 50.956 14.605 0.00 0.00 +ATOM 6050 H1 WAT X1321 6.466 51.354 13.740 0.00 0.00 +ATOM 6051 H2 WAT X1321 6.808 50.110 14.531 0.00 0.00 +ATOM 6052 O WAT X1322 10.350 37.231 32.916 0.00 0.00 +ATOM 6053 H1 WAT X1322 9.760 36.514 32.679 0.00 0.00 +ATOM 6054 H2 WAT X1322 10.424 37.175 33.868 0.00 0.00 +ATOM 6055 O WAT X1323 74.763 45.143 55.200 0.00 0.00 +ATOM 6056 H1 WAT X1323 74.923 44.734 56.050 0.00 0.00 +ATOM 6057 H2 WAT X1323 74.945 46.072 55.342 0.00 0.00 +ATOM 6058 O WAT X1324 68.714 42.500 55.557 0.00 0.00 +ATOM 6059 H1 WAT X1324 68.221 43.320 55.585 0.00 0.00 +ATOM 6060 H2 WAT X1324 68.067 41.840 55.307 0.00 0.00 +ATOM 6061 O WAT X1325 11.967 1.645 19.325 0.00 0.00 +ATOM 6062 H1 WAT X1325 11.207 2.183 19.548 0.00 0.00 +ATOM 6063 H2 WAT X1325 12.488 2.197 18.742 0.00 0.00 +ATOM 6064 O WAT X1326 49.369 22.865 23.762 0.00 0.00 +ATOM 6065 H1 WAT X1326 49.226 23.711 23.338 0.00 0.00 +ATOM 6066 H2 WAT X1326 48.651 22.787 24.390 0.00 0.00 +ATOM 6067 O WAT X1327 42.707 58.306 44.441 0.00 0.00 +ATOM 6068 H1 WAT X1327 42.980 57.683 43.768 0.00 0.00 +ATOM 6069 H2 WAT X1327 42.822 59.165 44.035 0.00 0.00 +ATOM 6070 O WAT X1328 44.991 56.809 33.913 0.00 0.00 +ATOM 6071 H1 WAT X1328 45.799 56.435 33.561 0.00 0.00 +ATOM 6072 H2 WAT X1328 44.292 56.357 33.442 0.00 0.00 +ATOM 6073 O WAT X1329 75.842 1.729 33.897 0.00 0.00 +ATOM 6074 H1 WAT X1329 76.086 1.819 32.976 0.00 0.00 +ATOM 6075 H2 WAT X1329 74.931 1.435 33.875 0.00 0.00 +ATOM 6076 O WAT X1330 25.575 7.430 45.177 0.00 0.00 +ATOM 6077 H1 WAT X1330 25.197 7.263 46.040 0.00 0.00 +ATOM 6078 H2 WAT X1330 25.811 8.358 45.195 0.00 0.00 +ATOM 6079 O WAT X1331 68.155 4.093 11.118 0.00 0.00 +ATOM 6080 H1 WAT X1331 68.754 4.198 10.380 0.00 0.00 +ATOM 6081 H2 WAT X1331 68.143 3.151 11.285 0.00 0.00 +ATOM 6082 O WAT X1332 63.826 30.060 26.713 0.00 0.00 +ATOM 6083 H1 WAT X1332 63.873 30.636 25.950 0.00 0.00 +ATOM 6084 H2 WAT X1332 64.517 30.376 27.295 0.00 0.00 +ATOM 6085 O WAT X1333 19.964 49.772 4.347 0.00 0.00 +ATOM 6086 H1 WAT X1333 19.909 48.884 4.699 0.00 0.00 +ATOM 6087 H2 WAT X1333 20.597 49.708 3.631 0.00 0.00 +ATOM 6088 O WAT X1334 20.119 9.308 40.296 0.00 0.00 +ATOM 6089 H1 WAT X1334 20.027 8.382 40.070 0.00 0.00 +ATOM 6090 H2 WAT X1334 21.063 9.465 40.285 0.00 0.00 +ATOM 6091 O WAT X1335 21.797 21.243 1.171 0.00 0.00 +ATOM 6092 H1 WAT X1335 20.956 20.851 0.933 0.00 0.00 +ATOM 6093 H2 WAT X1335 22.320 21.190 0.371 0.00 0.00 +ATOM 6094 O WAT X1336 48.150 50.818 32.253 0.00 0.00 +ATOM 6095 H1 WAT X1336 48.645 50.447 32.983 0.00 0.00 +ATOM 6096 H2 WAT X1336 47.638 50.084 31.913 0.00 0.00 +ATOM 6097 O WAT X1337 63.158 43.831 3.142 0.00 0.00 +ATOM 6098 H1 WAT X1337 63.179 44.728 3.477 0.00 0.00 +ATOM 6099 H2 WAT X1337 62.568 43.367 3.736 0.00 0.00 +ATOM 6100 O WAT X1338 63.376 51.011 40.816 0.00 0.00 +ATOM 6101 H1 WAT X1338 63.960 51.745 41.004 0.00 0.00 +ATOM 6102 H2 WAT X1338 62.514 51.311 41.104 0.00 0.00 +ATOM 6103 O WAT X1339 32.152 34.777 54.403 0.00 0.00 +ATOM 6104 H1 WAT X1339 32.671 35.579 54.352 0.00 0.00 +ATOM 6105 H2 WAT X1339 31.692 34.734 53.565 0.00 0.00 +ATOM 6106 O WAT X1340 20.235 40.205 44.872 0.00 0.00 +ATOM 6107 H1 WAT X1340 19.844 40.703 45.590 0.00 0.00 +ATOM 6108 H2 WAT X1340 19.608 40.287 44.154 0.00 0.00 +ATOM 6109 O WAT X1341 62.180 12.753 46.949 0.00 0.00 +ATOM 6110 H1 WAT X1341 62.741 13.501 47.153 0.00 0.00 +ATOM 6111 H2 WAT X1341 61.689 13.025 46.174 0.00 0.00 +ATOM 6112 O WAT X1342 78.030 45.709 21.131 0.00 0.00 +ATOM 6113 H1 WAT X1342 77.379 45.837 20.440 0.00 0.00 +ATOM 6114 H2 WAT X1342 77.669 46.170 21.888 0.00 0.00 +ATOM 6115 O WAT X1343 47.191 43.611 50.453 0.00 0.00 +ATOM 6116 H1 WAT X1343 46.815 44.028 49.678 0.00 0.00 +ATOM 6117 H2 WAT X1343 47.837 42.996 50.104 0.00 0.00 +ATOM 6118 O WAT X1344 66.492 13.428 3.038 0.00 0.00 +ATOM 6119 H1 WAT X1344 65.839 14.127 3.045 0.00 0.00 +ATOM 6120 H2 WAT X1344 67.281 13.833 3.399 0.00 0.00 +ATOM 6121 O WAT X1345 29.493 62.033 1.862 0.00 0.00 +ATOM 6122 H1 WAT X1345 29.897 62.519 1.142 0.00 0.00 +ATOM 6123 H2 WAT X1345 29.707 62.542 2.644 0.00 0.00 +ATOM 6124 O WAT X1346 0.916 37.664 57.762 0.00 0.00 +ATOM 6125 H1 WAT X1346 0.941 38.064 58.631 0.00 0.00 +ATOM 6126 H2 WAT X1346 -0.016 37.542 57.581 0.00 0.00 +ATOM 6127 O WAT X1347 1.271 32.343 23.199 0.00 0.00 +ATOM 6128 H1 WAT X1347 1.239 31.392 23.100 0.00 0.00 +ATOM 6129 H2 WAT X1347 1.967 32.623 22.604 0.00 0.00 +ATOM 6130 O WAT X1348 4.014 20.175 47.739 0.00 0.00 +ATOM 6131 H1 WAT X1348 4.508 20.695 48.373 0.00 0.00 +ATOM 6132 H2 WAT X1348 4.668 19.604 47.336 0.00 0.00 +ATOM 6133 O WAT X1349 3.714 46.252 27.306 0.00 0.00 +ATOM 6134 H1 WAT X1349 3.154 45.911 26.609 0.00 0.00 +ATOM 6135 H2 WAT X1349 3.438 47.163 27.411 0.00 0.00 +ATOM 6136 O WAT X1350 31.454 2.025 38.044 0.00 0.00 +ATOM 6137 H1 WAT X1350 32.223 1.456 38.085 0.00 0.00 +ATOM 6138 H2 WAT X1350 31.464 2.502 38.873 0.00 0.00 +ATOM 6139 O WAT X1351 63.219 19.848 49.283 0.00 0.00 +ATOM 6140 H1 WAT X1351 63.247 20.785 49.091 0.00 0.00 +ATOM 6141 H2 WAT X1351 63.119 19.801 50.234 0.00 0.00 +ATOM 6142 O WAT X1352 37.563 50.411 49.512 0.00 0.00 +ATOM 6143 H1 WAT X1352 38.125 51.153 49.735 0.00 0.00 +ATOM 6144 H2 WAT X1352 37.880 50.118 48.658 0.00 0.00 +ATOM 6145 O WAT X1353 58.492 9.686 53.475 0.00 0.00 +ATOM 6146 H1 WAT X1353 59.078 9.070 53.036 0.00 0.00 +ATOM 6147 H2 WAT X1353 58.592 9.489 54.407 0.00 0.00 +ATOM 6148 O WAT X1354 31.516 6.531 46.944 0.00 0.00 +ATOM 6149 H1 WAT X1354 32.192 6.831 46.336 0.00 0.00 +ATOM 6150 H2 WAT X1354 30.716 6.507 46.419 0.00 0.00 +ATOM 6151 O WAT X1355 40.645 4.511 27.645 0.00 0.00 +ATOM 6152 H1 WAT X1355 41.475 4.957 27.475 0.00 0.00 +ATOM 6153 H2 WAT X1355 40.291 4.325 26.775 0.00 0.00 +ATOM 6154 O WAT X1356 50.422 59.476 38.761 0.00 0.00 +ATOM 6155 H1 WAT X1356 50.630 58.543 38.711 0.00 0.00 +ATOM 6156 H2 WAT X1356 50.861 59.777 39.556 0.00 0.00 +ATOM 6157 O WAT X1357 44.302 42.478 42.708 0.00 0.00 +ATOM 6158 H1 WAT X1357 45.133 42.950 42.761 0.00 0.00 +ATOM 6159 H2 WAT X1357 44.260 41.976 43.522 0.00 0.00 +ATOM 6160 O WAT X1358 72.710 6.418 37.341 0.00 0.00 +ATOM 6161 H1 WAT X1358 72.697 5.481 37.144 0.00 0.00 +ATOM 6162 H2 WAT X1358 73.261 6.798 36.657 0.00 0.00 +ATOM 6163 O WAT X1359 28.384 37.658 12.137 0.00 0.00 +ATOM 6164 H1 WAT X1359 27.614 38.140 11.837 0.00 0.00 +ATOM 6165 H2 WAT X1359 28.718 37.225 11.351 0.00 0.00 +ATOM 6166 O WAT X1360 39.484 7.166 54.489 0.00 0.00 +ATOM 6167 H1 WAT X1360 39.091 7.929 54.913 0.00 0.00 +ATOM 6168 H2 WAT X1360 40.424 7.264 54.642 0.00 0.00 +ATOM 6169 O WAT X1361 55.128 12.026 47.128 0.00 0.00 +ATOM 6170 H1 WAT X1361 54.964 12.546 47.915 0.00 0.00 +ATOM 6171 H2 WAT X1361 56.021 11.700 47.238 0.00 0.00 +ATOM 6172 O WAT X1362 3.528 39.327 52.788 0.00 0.00 +ATOM 6173 H1 WAT X1362 3.507 38.593 52.174 0.00 0.00 +ATOM 6174 H2 WAT X1362 2.645 39.357 53.156 0.00 0.00 +ATOM 6175 O WAT X1363 47.663 4.945 9.320 0.00 0.00 +ATOM 6176 H1 WAT X1363 47.113 4.336 9.812 0.00 0.00 +ATOM 6177 H2 WAT X1363 47.562 4.676 8.407 0.00 0.00 +ATOM 6178 O WAT X1364 72.390 30.567 28.085 0.00 0.00 +ATOM 6179 H1 WAT X1364 73.173 30.428 28.619 0.00 0.00 +ATOM 6180 H2 WAT X1364 71.939 31.298 28.508 0.00 0.00 +ATOM 6181 O WAT X1365 20.969 55.815 11.316 0.00 0.00 +ATOM 6182 H1 WAT X1365 20.552 56.629 11.033 0.00 0.00 +ATOM 6183 H2 WAT X1365 21.907 55.984 11.230 0.00 0.00 +ATOM 6184 O WAT X1366 32.264 56.851 23.564 0.00 0.00 +ATOM 6185 H1 WAT X1366 31.335 56.675 23.416 0.00 0.00 +ATOM 6186 H2 WAT X1366 32.719 56.199 23.031 0.00 0.00 +ATOM 6187 O WAT X1367 63.670 44.680 44.563 0.00 0.00 +ATOM 6188 H1 WAT X1367 64.321 44.511 45.244 0.00 0.00 +ATOM 6189 H2 WAT X1367 64.026 45.418 44.069 0.00 0.00 +ATOM 6190 O WAT X1368 62.684 47.158 24.025 0.00 0.00 +ATOM 6191 H1 WAT X1368 63.380 46.674 24.470 0.00 0.00 +ATOM 6192 H2 WAT X1368 62.239 46.500 23.491 0.00 0.00 +ATOM 6193 O WAT X1369 18.029 2.025 52.040 0.00 0.00 +ATOM 6194 H1 WAT X1369 17.507 2.176 52.828 0.00 0.00 +ATOM 6195 H2 WAT X1369 17.676 2.640 51.397 0.00 0.00 +ATOM 6196 O WAT X1370 10.850 47.575 16.329 0.00 0.00 +ATOM 6197 H1 WAT X1370 10.213 48.029 16.880 0.00 0.00 +ATOM 6198 H2 WAT X1370 11.652 47.562 16.851 0.00 0.00 +ATOM 6199 O WAT X1371 30.974 55.296 25.909 0.00 0.00 +ATOM 6200 H1 WAT X1371 31.600 55.626 25.265 0.00 0.00 +ATOM 6201 H2 WAT X1371 30.133 55.664 25.637 0.00 0.00 +ATOM 6202 O WAT X1372 27.445 51.861 24.477 0.00 0.00 +ATOM 6203 H1 WAT X1372 27.820 51.010 24.247 0.00 0.00 +ATOM 6204 H2 WAT X1372 26.602 51.650 24.878 0.00 0.00 +ATOM 6205 O WAT X1373 58.197 26.063 4.351 0.00 0.00 +ATOM 6206 H1 WAT X1373 57.458 26.668 4.298 0.00 0.00 +ATOM 6207 H2 WAT X1373 58.626 26.280 5.179 0.00 0.00 +ATOM 6208 O WAT X1374 58.893 35.889 2.027 0.00 0.00 +ATOM 6209 H1 WAT X1374 58.206 36.546 1.916 0.00 0.00 +ATOM 6210 H2 WAT X1374 58.780 35.574 2.924 0.00 0.00 +ATOM 6211 O WAT X1375 65.995 44.371 19.072 0.00 0.00 +ATOM 6212 H1 WAT X1375 65.494 45.181 18.982 0.00 0.00 +ATOM 6213 H2 WAT X1375 65.856 43.910 18.245 0.00 0.00 +ATOM 6214 O WAT X1376 43.944 16.425 14.389 0.00 0.00 +ATOM 6215 H1 WAT X1376 43.012 16.617 14.281 0.00 0.00 +ATOM 6216 H2 WAT X1376 44.354 17.283 14.499 0.00 0.00 +ATOM 6217 O WAT X1377 68.967 47.253 44.097 0.00 0.00 +ATOM 6218 H1 WAT X1377 68.884 48.186 44.294 0.00 0.00 +ATOM 6219 H2 WAT X1377 69.910 47.091 44.096 0.00 0.00 +ATOM 6220 O WAT X1378 75.426 34.339 45.132 0.00 0.00 +ATOM 6221 H1 WAT X1378 76.152 33.797 44.821 0.00 0.00 +ATOM 6222 H2 WAT X1378 75.825 34.931 45.769 0.00 0.00 +ATOM 6223 O WAT X1379 1.315 46.140 7.440 0.00 0.00 +ATOM 6224 H1 WAT X1379 1.163 46.772 6.737 0.00 0.00 +ATOM 6225 H2 WAT X1379 0.968 46.565 8.224 0.00 0.00 +ATOM 6226 O WAT X1380 62.837 14.623 9.701 0.00 0.00 +ATOM 6227 H1 WAT X1380 62.570 14.812 10.601 0.00 0.00 +ATOM 6228 H2 WAT X1380 63.397 13.850 9.775 0.00 0.00 +ATOM 6229 O WAT X1381 57.333 42.161 16.726 0.00 0.00 +ATOM 6230 H1 WAT X1381 57.399 42.814 16.029 0.00 0.00 +ATOM 6231 H2 WAT X1381 58.118 41.624 16.627 0.00 0.00 +ATOM 6232 O WAT X1382 2.517 3.032 35.700 0.00 0.00 +ATOM 6233 H1 WAT X1382 2.473 2.093 35.519 0.00 0.00 +ATOM 6234 H2 WAT X1382 2.056 3.439 34.967 0.00 0.00 +ATOM 6235 O WAT X1383 22.385 2.734 43.445 0.00 0.00 +ATOM 6236 H1 WAT X1383 21.575 2.527 42.980 0.00 0.00 +ATOM 6237 H2 WAT X1383 23.061 2.717 42.767 0.00 0.00 +ATOM 6238 O WAT X1384 7.368 23.520 48.664 0.00 0.00 +ATOM 6239 H1 WAT X1384 7.642 22.618 48.494 0.00 0.00 +ATOM 6240 H2 WAT X1384 8.033 24.057 48.235 0.00 0.00 +ATOM 6241 O WAT X1385 14.199 57.663 25.988 0.00 0.00 +ATOM 6242 H1 WAT X1385 13.872 57.195 26.756 0.00 0.00 +ATOM 6243 H2 WAT X1385 14.841 57.068 25.600 0.00 0.00 +ATOM 6244 O WAT X1386 9.985 3.847 19.063 0.00 0.00 +ATOM 6245 H1 WAT X1386 10.001 3.743 18.111 0.00 0.00 +ATOM 6246 H2 WAT X1386 10.102 4.787 19.203 0.00 0.00 +ATOM 6247 O WAT X1387 34.805 24.973 0.418 0.00 0.00 +ATOM 6248 H1 WAT X1387 34.816 24.070 0.100 0.00 0.00 +ATOM 6249 H2 WAT X1387 34.385 24.919 1.277 0.00 0.00 +ATOM 6250 O WAT X1388 12.993 0.596 32.138 0.00 0.00 +ATOM 6251 H1 WAT X1388 12.234 0.030 32.279 0.00 0.00 +ATOM 6252 H2 WAT X1388 12.898 1.290 32.790 0.00 0.00 +ATOM 6253 O WAT X1389 71.760 43.463 3.218 0.00 0.00 +ATOM 6254 H1 WAT X1389 70.954 43.409 2.706 0.00 0.00 +ATOM 6255 H2 WAT X1389 71.704 42.729 3.831 0.00 0.00 +ATOM 6256 O WAT X1390 1.621 4.579 44.203 0.00 0.00 +ATOM 6257 H1 WAT X1390 1.539 5.510 44.410 0.00 0.00 +ATOM 6258 H2 WAT X1390 1.972 4.561 43.313 0.00 0.00 +ATOM 6259 O WAT X1391 5.991 63.117 24.165 0.00 0.00 +ATOM 6260 H1 WAT X1391 5.893 63.173 25.115 0.00 0.00 +ATOM 6261 H2 WAT X1391 5.592 62.278 23.932 0.00 0.00 +ATOM 6262 O WAT X1392 58.562 59.439 19.974 0.00 0.00 +ATOM 6263 H1 WAT X1392 57.966 58.698 19.868 0.00 0.00 +ATOM 6264 H2 WAT X1392 59.372 59.158 19.549 0.00 0.00 +ATOM 6265 O WAT X1393 55.972 25.711 7.349 0.00 0.00 +ATOM 6266 H1 WAT X1393 56.033 25.229 8.174 0.00 0.00 +ATOM 6267 H2 WAT X1393 56.805 26.177 7.282 0.00 0.00 +ATOM 6268 O WAT X1394 5.753 55.961 30.527 0.00 0.00 +ATOM 6269 H1 WAT X1394 6.655 55.654 30.618 0.00 0.00 +ATOM 6270 H2 WAT X1394 5.221 55.170 30.617 0.00 0.00 +ATOM 6271 O WAT X1395 28.463 2.850 35.665 0.00 0.00 +ATOM 6272 H1 WAT X1395 28.823 3.700 35.919 0.00 0.00 +ATOM 6273 H2 WAT X1395 27.516 2.952 35.763 0.00 0.00 +ATOM 6274 O WAT X1396 9.352 35.799 17.448 0.00 0.00 +ATOM 6275 H1 WAT X1396 10.294 35.632 17.495 0.00 0.00 +ATOM 6276 H2 WAT X1396 8.952 35.025 17.844 0.00 0.00 +ATOM 6277 O WAT X1397 50.366 5.987 35.949 0.00 0.00 +ATOM 6278 H1 WAT X1397 49.545 5.512 35.818 0.00 0.00 +ATOM 6279 H2 WAT X1397 51.044 5.377 35.659 0.00 0.00 +ATOM 6280 O WAT X1398 57.430 11.959 42.858 0.00 0.00 +ATOM 6281 H1 WAT X1398 57.973 11.975 43.646 0.00 0.00 +ATOM 6282 H2 WAT X1398 57.189 12.875 42.715 0.00 0.00 +ATOM 6283 O WAT X1399 15.461 34.848 21.357 0.00 0.00 +ATOM 6284 H1 WAT X1399 15.116 35.672 21.013 0.00 0.00 +ATOM 6285 H2 WAT X1399 16.221 35.106 21.879 0.00 0.00 +ATOM 6286 O WAT X1400 68.878 7.854 35.684 0.00 0.00 +ATOM 6287 H1 WAT X1400 68.570 7.917 36.588 0.00 0.00 +ATOM 6288 H2 WAT X1400 69.384 7.042 35.659 0.00 0.00 +ATOM 6289 O WAT X1401 66.427 41.085 48.905 0.00 0.00 +ATOM 6290 H1 WAT X1401 65.545 40.998 48.542 0.00 0.00 +ATOM 6291 H2 WAT X1401 66.299 41.062 49.853 0.00 0.00 +ATOM 6292 O WAT X1402 17.336 11.346 23.404 0.00 0.00 +ATOM 6293 H1 WAT X1402 17.249 11.639 22.496 0.00 0.00 +ATOM 6294 H2 WAT X1402 18.279 11.251 23.535 0.00 0.00 +ATOM 6295 O WAT X1403 70.997 8.758 55.422 0.00 0.00 +ATOM 6296 H1 WAT X1403 71.756 8.727 56.005 0.00 0.00 +ATOM 6297 H2 WAT X1403 70.362 9.303 55.885 0.00 0.00 +ATOM 6298 O WAT X1404 35.964 30.172 4.653 0.00 0.00 +ATOM 6299 H1 WAT X1404 35.630 29.281 4.550 0.00 0.00 +ATOM 6300 H2 WAT X1404 35.184 30.726 4.624 0.00 0.00 +ATOM 6301 O WAT X1405 44.607 45.378 29.622 0.00 0.00 +ATOM 6302 H1 WAT X1405 44.611 45.399 28.665 0.00 0.00 +ATOM 6303 H2 WAT X1405 43.712 45.132 29.853 0.00 0.00 +ATOM 6304 O WAT X1406 49.701 62.609 41.837 0.00 0.00 +ATOM 6305 H1 WAT X1406 49.099 61.891 41.644 0.00 0.00 +ATOM 6306 H2 WAT X1406 49.860 63.024 40.989 0.00 0.00 +ATOM 6307 O WAT X1407 42.192 14.704 42.345 0.00 0.00 +ATOM 6308 H1 WAT X1407 42.373 14.824 41.413 0.00 0.00 +ATOM 6309 H2 WAT X1407 42.083 13.759 42.449 0.00 0.00 +ATOM 6310 O WAT X1408 73.553 30.124 25.499 0.00 0.00 +ATOM 6311 H1 WAT X1408 74.381 30.091 25.021 0.00 0.00 +ATOM 6312 H2 WAT X1408 73.764 29.782 26.368 0.00 0.00 +ATOM 6313 O WAT X1409 47.453 39.704 45.704 0.00 0.00 +ATOM 6314 H1 WAT X1409 47.875 39.287 44.953 0.00 0.00 +ATOM 6315 H2 WAT X1409 48.125 40.280 46.069 0.00 0.00 +ATOM 6316 O WAT X1410 63.402 26.737 45.062 0.00 0.00 +ATOM 6317 H1 WAT X1410 63.713 27.338 45.739 0.00 0.00 +ATOM 6318 H2 WAT X1410 62.603 26.357 45.428 0.00 0.00 +ATOM 6319 O WAT X1411 21.120 45.590 19.349 0.00 0.00 +ATOM 6320 H1 WAT X1411 20.298 45.947 19.013 0.00 0.00 +ATOM 6321 H2 WAT X1411 21.333 46.145 20.099 0.00 0.00 +ATOM 6322 O WAT X1412 54.440 41.215 52.148 0.00 0.00 +ATOM 6323 H1 WAT X1412 55.003 40.449 52.256 0.00 0.00 +ATOM 6324 H2 WAT X1412 53.571 40.851 51.976 0.00 0.00 +ATOM 6325 O WAT X1413 62.202 2.017 28.638 0.00 0.00 +ATOM 6326 H1 WAT X1413 61.765 2.314 27.839 0.00 0.00 +ATOM 6327 H2 WAT X1413 62.934 2.622 28.750 0.00 0.00 +ATOM 6328 O WAT X1414 54.226 60.701 43.173 0.00 0.00 +ATOM 6329 H1 WAT X1414 53.925 61.424 42.623 0.00 0.00 +ATOM 6330 H2 WAT X1414 53.982 60.960 44.062 0.00 0.00 +ATOM 6331 O WAT X1415 4.340 35.957 53.965 0.00 0.00 +ATOM 6332 H1 WAT X1415 3.591 36.247 54.486 0.00 0.00 +ATOM 6333 H2 WAT X1415 4.335 35.004 54.049 0.00 0.00 +ATOM 6334 O WAT X1416 47.825 1.059 45.372 0.00 0.00 +ATOM 6335 H1 WAT X1416 46.872 1.147 45.372 0.00 0.00 +ATOM 6336 H2 WAT X1416 47.982 0.160 45.084 0.00 0.00 +ATOM 6337 O WAT X1417 42.410 28.954 2.450 0.00 0.00 +ATOM 6338 H1 WAT X1417 42.072 28.382 1.761 0.00 0.00 +ATOM 6339 H2 WAT X1417 41.853 28.772 3.207 0.00 0.00 +ATOM 6340 O WAT X1418 42.134 51.630 45.550 0.00 0.00 +ATOM 6341 H1 WAT X1418 41.570 51.861 44.812 0.00 0.00 +ATOM 6342 H2 WAT X1418 42.487 52.467 45.853 0.00 0.00 +ATOM 6343 O WAT X1419 4.076 49.642 12.275 0.00 0.00 +ATOM 6344 H1 WAT X1419 4.706 49.532 11.563 0.00 0.00 +ATOM 6345 H2 WAT X1419 4.094 48.806 12.742 0.00 0.00 +ATOM 6346 O WAT X1420 43.862 0.623 5.191 0.00 0.00 +ATOM 6347 H1 WAT X1420 43.523 0.861 6.054 0.00 0.00 +ATOM 6348 H2 WAT X1420 43.192 0.926 4.579 0.00 0.00 +ATOM 6349 O WAT X1421 72.512 3.175 25.608 0.00 0.00 +ATOM 6350 H1 WAT X1421 72.687 3.401 26.522 0.00 0.00 +ATOM 6351 H2 WAT X1421 71.825 3.784 25.338 0.00 0.00 +ATOM 6352 O WAT X1422 4.014 57.643 5.011 0.00 0.00 +ATOM 6353 H1 WAT X1422 4.503 58.446 5.192 0.00 0.00 +ATOM 6354 H2 WAT X1422 4.395 57.308 4.200 0.00 0.00 +ATOM 6355 O WAT X1423 10.945 18.773 11.019 0.00 0.00 +ATOM 6356 H1 WAT X1423 11.210 19.564 10.549 0.00 0.00 +ATOM 6357 H2 WAT X1423 11.312 18.882 11.896 0.00 0.00 +ATOM 6358 O WAT X1424 10.376 42.190 43.581 0.00 0.00 +ATOM 6359 H1 WAT X1424 10.997 41.687 43.054 0.00 0.00 +ATOM 6360 H2 WAT X1424 10.326 41.715 44.411 0.00 0.00 +ATOM 6361 O WAT X1425 52.894 59.852 27.522 0.00 0.00 +ATOM 6362 H1 WAT X1425 53.423 59.128 27.859 0.00 0.00 +ATOM 6363 H2 WAT X1425 53.494 60.348 26.965 0.00 0.00 +ATOM 6364 O WAT X1426 75.348 2.980 13.661 0.00 0.00 +ATOM 6365 H1 WAT X1426 75.776 2.745 14.484 0.00 0.00 +ATOM 6366 H2 WAT X1426 74.671 2.313 13.545 0.00 0.00 +ATOM 6367 O WAT X1427 41.625 58.511 57.359 0.00 0.00 +ATOM 6368 H1 WAT X1427 41.976 59.401 57.326 0.00 0.00 +ATOM 6369 H2 WAT X1427 40.776 58.604 57.791 0.00 0.00 +ATOM 6370 O WAT X1428 15.657 52.705 26.560 0.00 0.00 +ATOM 6371 H1 WAT X1428 15.913 51.818 26.815 0.00 0.00 +ATOM 6372 H2 WAT X1428 16.335 53.267 26.935 0.00 0.00 +ATOM 6373 O WAT X1429 17.035 47.159 51.997 0.00 0.00 +ATOM 6374 H1 WAT X1429 17.755 46.698 51.566 0.00 0.00 +ATOM 6375 H2 WAT X1429 17.383 48.033 52.176 0.00 0.00 +ATOM 6376 O WAT X1430 71.422 12.680 26.999 0.00 0.00 +ATOM 6377 H1 WAT X1430 71.415 13.305 26.275 0.00 0.00 +ATOM 6378 H2 WAT X1430 71.703 13.194 27.756 0.00 0.00 +ATOM 6379 O WAT X1431 32.404 31.591 42.648 0.00 0.00 +ATOM 6380 H1 WAT X1431 32.726 32.035 43.433 0.00 0.00 +ATOM 6381 H2 WAT X1431 31.461 31.759 42.648 0.00 0.00 +ATOM 6382 O WAT X1432 70.769 10.827 14.411 0.00 0.00 +ATOM 6383 H1 WAT X1432 70.385 11.429 15.049 0.00 0.00 +ATOM 6384 H2 WAT X1432 70.518 9.957 14.722 0.00 0.00 +ATOM 6385 O WAT X1433 53.285 61.426 45.635 0.00 0.00 +ATOM 6386 H1 WAT X1433 52.464 61.594 45.172 0.00 0.00 +ATOM 6387 H2 WAT X1433 53.016 61.202 46.526 0.00 0.00 +ATOM 6388 O WAT X1434 3.536 61.542 24.405 0.00 0.00 +ATOM 6389 H1 WAT X1434 4.243 61.104 23.930 0.00 0.00 +ATOM 6390 H2 WAT X1434 3.396 60.997 25.180 0.00 0.00 +ATOM 6391 O WAT X1435 72.694 32.208 30.836 0.00 0.00 +ATOM 6392 H1 WAT X1435 73.005 32.358 31.729 0.00 0.00 +ATOM 6393 H2 WAT X1435 72.199 31.390 30.889 0.00 0.00 +ATOM 6394 O WAT X1436 24.964 51.869 43.743 0.00 0.00 +ATOM 6395 H1 WAT X1436 24.464 52.136 44.514 0.00 0.00 +ATOM 6396 H2 WAT X1436 25.716 51.395 44.098 0.00 0.00 +ATOM 6397 O WAT X1437 65.564 58.372 54.351 0.00 0.00 +ATOM 6398 H1 WAT X1437 66.056 57.932 55.045 0.00 0.00 +ATOM 6399 H2 WAT X1437 65.970 58.067 53.540 0.00 0.00 +ATOM 6400 O WAT X1438 51.320 29.762 9.179 0.00 0.00 +ATOM 6401 H1 WAT X1438 51.060 29.027 8.624 0.00 0.00 +ATOM 6402 H2 WAT X1438 51.516 30.469 8.564 0.00 0.00 +ATOM 6403 O WAT X1439 64.004 18.007 33.116 0.00 0.00 +ATOM 6404 H1 WAT X1439 63.970 18.712 32.469 0.00 0.00 +ATOM 6405 H2 WAT X1439 63.086 17.809 33.302 0.00 0.00 +ATOM 6406 O WAT X1440 34.005 58.789 17.833 0.00 0.00 +ATOM 6407 H1 WAT X1440 33.934 58.518 16.918 0.00 0.00 +ATOM 6408 H2 WAT X1440 33.159 58.559 18.217 0.00 0.00 +ATOM 6409 O WAT X1441 -0.093 41.612 34.464 0.00 0.00 +ATOM 6410 H1 WAT X1441 0.652 42.099 34.814 0.00 0.00 +ATOM 6411 H2 WAT X1441 -0.051 41.756 33.519 0.00 0.00 +ATOM 6412 O WAT X1442 54.510 17.800 47.222 0.00 0.00 +ATOM 6413 H1 WAT X1442 55.456 17.739 47.354 0.00 0.00 +ATOM 6414 H2 WAT X1442 54.410 18.387 46.473 0.00 0.00 +ATOM 6415 O WAT X1443 19.217 54.899 14.722 0.00 0.00 +ATOM 6416 H1 WAT X1443 18.819 55.502 15.349 0.00 0.00 +ATOM 6417 H2 WAT X1443 18.614 54.893 13.978 0.00 0.00 +ATOM 6418 O WAT X1444 4.180 52.467 14.967 0.00 0.00 +ATOM 6419 H1 WAT X1444 4.956 51.959 14.729 0.00 0.00 +ATOM 6420 H2 WAT X1444 3.483 52.110 14.417 0.00 0.00 +ATOM 6421 O WAT X1445 70.190 0.861 30.994 0.00 0.00 +ATOM 6422 H1 WAT X1445 70.203 1.747 31.357 0.00 0.00 +ATOM 6423 H2 WAT X1445 70.062 0.989 30.054 0.00 0.00 +ATOM 6424 O WAT X1446 38.026 34.422 55.617 0.00 0.00 +ATOM 6425 H1 WAT X1446 37.873 33.479 55.681 0.00 0.00 +ATOM 6426 H2 WAT X1446 37.161 34.814 55.739 0.00 0.00 +ATOM 6427 O WAT X1447 73.196 58.348 18.581 0.00 0.00 +ATOM 6428 H1 WAT X1447 73.333 58.538 17.653 0.00 0.00 +ATOM 6429 H2 WAT X1447 73.114 59.208 18.992 0.00 0.00 +ATOM 6430 O WAT X1448 23.839 40.963 13.120 0.00 0.00 +ATOM 6431 H1 WAT X1448 22.964 40.733 13.434 0.00 0.00 +ATOM 6432 H2 WAT X1448 24.289 41.305 13.892 0.00 0.00 +ATOM 6433 O WAT X1449 40.350 26.652 16.276 0.00 0.00 +ATOM 6434 H1 WAT X1449 39.804 27.410 16.485 0.00 0.00 +ATOM 6435 H2 WAT X1449 40.823 26.466 17.087 0.00 0.00 +ATOM 6436 O WAT X1450 36.058 50.852 43.797 0.00 0.00 +ATOM 6437 H1 WAT X1450 35.234 51.339 43.769 0.00 0.00 +ATOM 6438 H2 WAT X1450 35.951 50.242 44.526 0.00 0.00 +ATOM 6439 O WAT X1451 65.996 62.653 48.171 0.00 0.00 +ATOM 6440 H1 WAT X1451 66.897 62.399 47.971 0.00 0.00 +ATOM 6441 H2 WAT X1451 66.031 62.964 49.076 0.00 0.00 +ATOM 6442 O WAT X1452 74.481 45.414 21.109 0.00 0.00 +ATOM 6443 H1 WAT X1452 74.866 45.886 21.847 0.00 0.00 +ATOM 6444 H2 WAT X1452 75.147 45.460 20.422 0.00 0.00 +ATOM 6445 O WAT X1453 6.731 58.306 50.042 0.00 0.00 +ATOM 6446 H1 WAT X1453 7.203 59.059 50.398 0.00 0.00 +ATOM 6447 H2 WAT X1453 7.279 58.001 49.319 0.00 0.00 +ATOM 6448 O WAT X1454 64.112 12.277 13.970 0.00 0.00 +ATOM 6449 H1 WAT X1454 65.021 11.993 14.059 0.00 0.00 +ATOM 6450 H2 WAT X1454 64.161 13.233 13.945 0.00 0.00 +ATOM 6451 O WAT X1455 63.987 5.093 53.891 0.00 0.00 +ATOM 6452 H1 WAT X1455 63.658 5.118 54.789 0.00 0.00 +ATOM 6453 H2 WAT X1455 63.234 4.821 53.367 0.00 0.00 +ATOM 6454 O WAT X1456 48.543 34.710 43.561 0.00 0.00 +ATOM 6455 H1 WAT X1456 48.914 33.880 43.261 0.00 0.00 +ATOM 6456 H2 WAT X1456 48.068 35.048 42.802 0.00 0.00 +ATOM 6457 O WAT X1457 57.293 7.866 21.260 0.00 0.00 +ATOM 6458 H1 WAT X1457 57.796 7.970 20.453 0.00 0.00 +ATOM 6459 H2 WAT X1457 57.885 7.406 21.854 0.00 0.00 +ATOM 6460 O WAT X1458 7.979 21.074 20.854 0.00 0.00 +ATOM 6461 H1 WAT X1458 7.080 21.182 20.544 0.00 0.00 +ATOM 6462 H2 WAT X1458 7.924 20.383 21.514 0.00 0.00 +ATOM 6463 O WAT X1459 25.855 2.891 28.505 0.00 0.00 +ATOM 6464 H1 WAT X1459 25.611 2.380 27.733 0.00 0.00 +ATOM 6465 H2 WAT X1459 25.952 2.241 29.201 0.00 0.00 +ATOM 6466 O WAT X1460 48.539 16.800 27.234 0.00 0.00 +ATOM 6467 H1 WAT X1460 47.950 16.650 26.495 0.00 0.00 +ATOM 6468 H2 WAT X1460 47.974 17.146 27.925 0.00 0.00 +ATOM 6469 O WAT X1461 8.835 49.054 25.641 0.00 0.00 +ATOM 6470 H1 WAT X1461 8.064 48.535 25.872 0.00 0.00 +ATOM 6471 H2 WAT X1461 8.481 49.824 25.195 0.00 0.00 +ATOM 6472 O WAT X1462 57.613 24.093 50.848 0.00 0.00 +ATOM 6473 H1 WAT X1462 56.928 23.429 50.776 0.00 0.00 +ATOM 6474 H2 WAT X1462 57.403 24.567 51.653 0.00 0.00 +ATOM 6475 O WAT X1463 48.117 42.621 14.980 0.00 0.00 +ATOM 6476 H1 WAT X1463 49.018 42.641 15.302 0.00 0.00 +ATOM 6477 H2 WAT X1463 47.843 41.711 15.093 0.00 0.00 +ATOM 6478 O WAT X1464 35.304 46.923 37.691 0.00 0.00 +ATOM 6479 H1 WAT X1464 36.024 46.840 38.316 0.00 0.00 +ATOM 6480 H2 WAT X1464 34.884 46.063 37.693 0.00 0.00 +ATOM 6481 O WAT X1465 47.365 35.587 14.647 0.00 0.00 +ATOM 6482 H1 WAT X1465 46.966 36.434 14.445 0.00 0.00 +ATOM 6483 H2 WAT X1465 47.010 34.992 13.987 0.00 0.00 +ATOM 6484 O WAT X1466 40.970 4.641 46.016 0.00 0.00 +ATOM 6485 H1 WAT X1466 41.025 4.909 45.099 0.00 0.00 +ATOM 6486 H2 WAT X1466 41.825 4.253 46.204 0.00 0.00 +ATOM 6487 O WAT X1467 67.057 17.646 12.245 0.00 0.00 +ATOM 6488 H1 WAT X1467 67.470 18.295 12.815 0.00 0.00 +ATOM 6489 H2 WAT X1467 67.224 16.808 12.676 0.00 0.00 +ATOM 6490 O WAT X1468 50.008 40.396 51.456 0.00 0.00 +ATOM 6491 H1 WAT X1468 49.997 41.158 52.034 0.00 0.00 +ATOM 6492 H2 WAT X1468 50.924 40.118 51.443 0.00 0.00 +ATOM 6493 O WAT X1469 32.914 55.467 21.314 0.00 0.00 +ATOM 6494 H1 WAT X1469 33.520 55.340 20.585 0.00 0.00 +ATOM 6495 H2 WAT X1469 32.710 54.581 21.613 0.00 0.00 +ATOM 6496 O WAT X1470 62.445 11.479 16.172 0.00 0.00 +ATOM 6497 H1 WAT X1470 62.956 10.852 16.684 0.00 0.00 +ATOM 6498 H2 WAT X1470 63.051 11.789 15.499 0.00 0.00 +ATOM 6499 O WAT X1471 2.746 16.051 21.927 0.00 0.00 +ATOM 6500 H1 WAT X1471 2.255 15.231 21.984 0.00 0.00 +ATOM 6501 H2 WAT X1471 3.061 16.080 21.024 0.00 0.00 +ATOM 6502 O WAT X1472 61.867 39.418 43.427 0.00 0.00 +ATOM 6503 H1 WAT X1472 62.320 38.578 43.496 0.00 0.00 +ATOM 6504 H2 WAT X1472 62.014 39.839 44.274 0.00 0.00 +ATOM 6505 O WAT X1473 2.524 60.650 18.738 0.00 0.00 +ATOM 6506 H1 WAT X1473 1.884 61.092 18.180 0.00 0.00 +ATOM 6507 H2 WAT X1473 2.800 61.320 19.363 0.00 0.00 +ATOM 6508 O WAT X1474 18.852 22.271 58.179 0.00 0.00 +ATOM 6509 H1 WAT X1474 19.145 21.471 57.742 0.00 0.00 +ATOM 6510 H2 WAT X1474 19.526 22.918 57.972 0.00 0.00 +ATOM 6511 O WAT X1475 1.056 50.678 29.141 0.00 0.00 +ATOM 6512 H1 WAT X1475 1.648 49.950 29.330 0.00 0.00 +ATOM 6513 H2 WAT X1475 1.407 51.070 28.341 0.00 0.00 +ATOM 6514 O WAT X1476 29.347 47.346 15.631 0.00 0.00 +ATOM 6515 H1 WAT X1476 29.352 46.454 15.978 0.00 0.00 +ATOM 6516 H2 WAT X1476 30.272 47.558 15.502 0.00 0.00 +ATOM 6517 O WAT X1477 34.311 22.642 47.062 0.00 0.00 +ATOM 6518 H1 WAT X1477 33.591 22.463 47.667 0.00 0.00 +ATOM 6519 H2 WAT X1477 34.324 21.886 46.475 0.00 0.00 +ATOM 6520 O WAT X1478 52.019 55.137 17.535 0.00 0.00 +ATOM 6521 H1 WAT X1478 51.939 54.208 17.753 0.00 0.00 +ATOM 6522 H2 WAT X1478 52.952 55.264 17.364 0.00 0.00 +ATOM 6523 O WAT X1479 9.062 29.856 50.314 0.00 0.00 +ATOM 6524 H1 WAT X1479 8.920 29.010 49.890 0.00 0.00 +ATOM 6525 H2 WAT X1479 8.404 29.889 51.009 0.00 0.00 +ATOM 6526 O WAT X1480 35.117 0.183 57.774 0.00 0.00 +ATOM 6527 H1 WAT X1480 35.568 0.962 57.450 0.00 0.00 +ATOM 6528 H2 WAT X1480 35.770 -0.514 57.715 0.00 0.00 +ATOM 6529 O WAT X1481 54.700 53.462 55.652 0.00 0.00 +ATOM 6530 H1 WAT X1481 54.354 54.349 55.756 0.00 0.00 +ATOM 6531 H2 WAT X1481 55.499 53.454 56.179 0.00 0.00 +ATOM 6532 O WAT X1482 39.345 34.495 13.216 0.00 0.00 +ATOM 6533 H1 WAT X1482 39.129 34.266 14.120 0.00 0.00 +ATOM 6534 H2 WAT X1482 39.489 35.441 13.236 0.00 0.00 +ATOM 6535 O WAT X1483 2.194 16.031 25.205 0.00 0.00 +ATOM 6536 H1 WAT X1483 2.547 16.259 26.065 0.00 0.00 +ATOM 6537 H2 WAT X1483 2.218 16.850 24.711 0.00 0.00 +ATOM 6538 O WAT X1484 13.736 26.673 11.669 0.00 0.00 +ATOM 6539 H1 WAT X1484 13.283 27.311 12.219 0.00 0.00 +ATOM 6540 H2 WAT X1484 14.361 26.249 12.258 0.00 0.00 +ATOM 6541 O WAT X1485 69.498 7.307 18.413 0.00 0.00 +ATOM 6542 H1 WAT X1485 70.419 7.292 18.155 0.00 0.00 +ATOM 6543 H2 WAT X1485 69.483 7.829 19.216 0.00 0.00 +ATOM 6544 O WAT X1486 68.669 14.397 3.966 0.00 0.00 +ATOM 6545 H1 WAT X1486 68.672 14.328 4.921 0.00 0.00 +ATOM 6546 H2 WAT X1486 68.459 15.315 3.794 0.00 0.00 +ATOM 6547 O WAT X1487 64.203 36.655 0.290 0.00 0.00 +ATOM 6548 H1 WAT X1487 64.262 36.637 -0.665 0.00 0.00 +ATOM 6549 H2 WAT X1487 64.458 35.773 0.562 0.00 0.00 +ATOM 6550 O WAT X1488 41.277 34.166 46.945 0.00 0.00 +ATOM 6551 H1 WAT X1488 41.443 34.307 47.877 0.00 0.00 +ATOM 6552 H2 WAT X1488 41.411 35.025 46.545 0.00 0.00 +ATOM 6553 O WAT X1489 69.381 7.895 14.708 0.00 0.00 +ATOM 6554 H1 WAT X1489 69.236 7.005 14.386 0.00 0.00 +ATOM 6555 H2 WAT X1489 68.914 8.453 14.086 0.00 0.00 +ATOM 6556 O WAT X1490 29.675 55.378 11.342 0.00 0.00 +ATOM 6557 H1 WAT X1490 29.001 54.709 11.459 0.00 0.00 +ATOM 6558 H2 WAT X1490 30.242 55.284 12.108 0.00 0.00 +ATOM 6559 O WAT X1491 30.795 0.365 51.156 0.00 0.00 +ATOM 6560 H1 WAT X1491 30.382 1.174 50.854 0.00 0.00 +ATOM 6561 H2 WAT X1491 30.341 0.155 51.972 0.00 0.00 +ATOM 6562 O WAT X1492 57.738 46.108 31.287 0.00 0.00 +ATOM 6563 H1 WAT X1492 57.045 45.464 31.431 0.00 0.00 +ATOM 6564 H2 WAT X1492 58.551 45.616 31.407 0.00 0.00 +ATOM 6565 O WAT X1493 22.938 6.491 56.391 0.00 0.00 +ATOM 6566 H1 WAT X1493 22.068 6.839 56.589 0.00 0.00 +ATOM 6567 H2 WAT X1493 23.454 7.260 56.151 0.00 0.00 +ATOM 6568 O WAT X1494 23.981 22.101 2.564 0.00 0.00 +ATOM 6569 H1 WAT X1494 24.286 22.567 1.786 0.00 0.00 +ATOM 6570 H2 WAT X1494 23.118 21.768 2.320 0.00 0.00 +ATOM 6571 O WAT X1495 37.107 22.740 26.041 0.00 0.00 +ATOM 6572 H1 WAT X1495 36.714 23.608 26.132 0.00 0.00 +ATOM 6573 H2 WAT X1495 38.043 22.884 26.185 0.00 0.00 +ATOM 6574 O WAT X1496 61.509 10.209 57.741 0.00 0.00 +ATOM 6575 H1 WAT X1496 62.361 9.798 57.884 0.00 0.00 +ATOM 6576 H2 WAT X1496 61.325 10.670 58.560 0.00 0.00 +ATOM 6577 O WAT X1497 39.386 54.495 26.875 0.00 0.00 +ATOM 6578 H1 WAT X1497 38.672 54.848 27.407 0.00 0.00 +ATOM 6579 H2 WAT X1497 39.237 54.861 26.003 0.00 0.00 +ATOM 6580 O WAT X1498 64.566 52.601 43.938 0.00 0.00 +ATOM 6581 H1 WAT X1498 64.927 53.125 43.222 0.00 0.00 +ATOM 6582 H2 WAT X1498 65.298 52.059 44.230 0.00 0.00 +ATOM 6583 O WAT X1499 2.491 61.442 12.754 0.00 0.00 +ATOM 6584 H1 WAT X1499 2.669 62.304 13.131 0.00 0.00 +ATOM 6585 H2 WAT X1499 1.621 61.527 12.363 0.00 0.00 +ATOM 6586 O WAT X1500 64.524 56.934 10.725 0.00 0.00 +ATOM 6587 H1 WAT X1500 65.051 57.462 11.325 0.00 0.00 +ATOM 6588 H2 WAT X1500 63.628 57.029 11.046 0.00 0.00 +ATOM 6589 O WAT X1501 26.853 20.378 45.471 0.00 0.00 +ATOM 6590 H1 WAT X1501 27.158 20.902 44.730 0.00 0.00 +ATOM 6591 H2 WAT X1501 26.459 19.603 45.070 0.00 0.00 +ATOM 6592 O WAT X1502 9.399 16.344 37.962 0.00 0.00 +ATOM 6593 H1 WAT X1502 9.672 15.443 38.133 0.00 0.00 +ATOM 6594 H2 WAT X1502 9.111 16.338 37.049 0.00 0.00 +ATOM 6595 O WAT X1503 2.924 32.145 31.870 0.00 0.00 +ATOM 6596 H1 WAT X1503 2.047 31.986 31.521 0.00 0.00 +ATOM 6597 H2 WAT X1503 2.788 32.763 32.588 0.00 0.00 +ATOM 6598 O WAT X1504 41.437 27.829 49.096 0.00 0.00 +ATOM 6599 H1 WAT X1504 41.340 26.917 49.368 0.00 0.00 +ATOM 6600 H2 WAT X1504 41.342 27.807 48.144 0.00 0.00 +ATOM 6601 O WAT X1505 49.374 16.753 41.730 0.00 0.00 +ATOM 6602 H1 WAT X1505 49.914 16.422 42.448 0.00 0.00 +ATOM 6603 H2 WAT X1505 49.805 16.430 40.938 0.00 0.00 +ATOM 6604 O WAT X1506 31.476 28.736 46.415 0.00 0.00 +ATOM 6605 H1 WAT X1506 32.287 28.363 46.761 0.00 0.00 +ATOM 6606 H2 WAT X1506 30.783 28.320 46.928 0.00 0.00 +ATOM 6607 O WAT X1507 56.353 24.515 56.925 0.00 0.00 +ATOM 6608 H1 WAT X1507 56.616 24.884 56.081 0.00 0.00 +ATOM 6609 H2 WAT X1507 56.240 23.581 56.753 0.00 0.00 +ATOM 6610 O WAT X1508 71.279 60.741 45.005 0.00 0.00 +ATOM 6611 H1 WAT X1508 71.303 60.494 44.081 0.00 0.00 +ATOM 6612 H2 WAT X1508 70.591 61.404 45.058 0.00 0.00 +ATOM 6613 O WAT X1509 13.619 45.905 43.151 0.00 0.00 +ATOM 6614 H1 WAT X1509 13.308 45.849 44.054 0.00 0.00 +ATOM 6615 H2 WAT X1509 14.452 46.373 43.213 0.00 0.00 +ATOM 6616 O WAT X1510 58.571 61.161 32.581 0.00 0.00 +ATOM 6617 H1 WAT X1510 59.338 61.071 32.015 0.00 0.00 +ATOM 6618 H2 WAT X1510 58.191 60.283 32.610 0.00 0.00 +ATOM 6619 O WAT X1511 54.730 48.082 15.943 0.00 0.00 +ATOM 6620 H1 WAT X1511 54.926 48.602 16.722 0.00 0.00 +ATOM 6621 H2 WAT X1511 55.079 47.213 16.141 0.00 0.00 +ATOM 6622 O WAT X1512 60.108 32.306 19.465 0.00 0.00 +ATOM 6623 H1 WAT X1512 60.822 32.104 20.069 0.00 0.00 +ATOM 6624 H2 WAT X1512 60.200 33.242 19.289 0.00 0.00 +ATOM 6625 O WAT X1513 39.719 2.736 57.775 0.00 0.00 +ATOM 6626 H1 WAT X1513 40.322 2.316 58.389 0.00 0.00 +ATOM 6627 H2 WAT X1513 39.900 2.314 56.935 0.00 0.00 +ATOM 6628 O WAT X1514 61.280 6.898 19.985 0.00 0.00 +ATOM 6629 H1 WAT X1514 60.566 7.344 19.529 0.00 0.00 +ATOM 6630 H2 WAT X1514 61.214 5.987 19.700 0.00 0.00 +ATOM 6631 O WAT X1515 57.718 3.217 51.320 0.00 0.00 +ATOM 6632 H1 WAT X1515 57.158 2.664 50.774 0.00 0.00 +ATOM 6633 H2 WAT X1515 58.609 3.005 51.041 0.00 0.00 +ATOM 6634 O WAT X1516 33.237 17.726 49.589 0.00 0.00 +ATOM 6635 H1 WAT X1516 33.198 16.857 49.190 0.00 0.00 +ATOM 6636 H2 WAT X1516 32.588 18.240 49.108 0.00 0.00 +ATOM 6637 O WAT X1517 64.032 28.280 47.171 0.00 0.00 +ATOM 6638 H1 WAT X1517 63.716 29.062 47.625 0.00 0.00 +ATOM 6639 H2 WAT X1517 64.190 27.645 47.870 0.00 0.00 +ATOM 6640 O WAT X1518 65.195 49.357 44.650 0.00 0.00 +ATOM 6641 H1 WAT X1518 65.590 49.614 43.817 0.00 0.00 +ATOM 6642 H2 WAT X1518 64.936 48.445 44.520 0.00 0.00 +ATOM 6643 O WAT X1519 3.580 56.705 21.554 0.00 0.00 +ATOM 6644 H1 WAT X1519 4.136 57.244 20.991 0.00 0.00 +ATOM 6645 H2 WAT X1519 2.704 57.077 21.454 0.00 0.00 +ATOM 6646 O WAT X1520 0.794 19.622 37.240 0.00 0.00 +ATOM 6647 H1 WAT X1520 1.548 20.183 37.418 0.00 0.00 +ATOM 6648 H2 WAT X1520 1.016 18.786 37.648 0.00 0.00 +ATOM 6649 O WAT X1521 36.729 22.079 20.568 0.00 0.00 +ATOM 6650 H1 WAT X1521 36.470 21.475 19.873 0.00 0.00 +ATOM 6651 H2 WAT X1521 37.658 22.246 20.406 0.00 0.00 +ATOM 6652 O WAT X1522 72.823 10.053 18.438 0.00 0.00 +ATOM 6653 H1 WAT X1522 73.356 10.755 18.066 0.00 0.00 +ATOM 6654 H2 WAT X1522 72.309 10.480 19.123 0.00 0.00 +ATOM 6655 O WAT X1523 17.905 14.411 50.250 0.00 0.00 +ATOM 6656 H1 WAT X1523 18.531 14.498 50.968 0.00 0.00 +ATOM 6657 H2 WAT X1523 17.270 15.111 50.399 0.00 0.00 +ATOM 6658 O WAT X1524 6.630 27.612 12.434 0.00 0.00 +ATOM 6659 H1 WAT X1524 6.661 27.839 13.363 0.00 0.00 +ATOM 6660 H2 WAT X1524 5.700 27.638 12.212 0.00 0.00 +ATOM 6661 O WAT X1525 1.483 59.893 9.634 0.00 0.00 +ATOM 6662 H1 WAT X1525 2.048 60.648 9.466 0.00 0.00 +ATOM 6663 H2 WAT X1525 1.087 59.697 8.785 0.00 0.00 +ATOM 6664 O WAT X1526 8.275 10.311 16.337 0.00 0.00 +ATOM 6665 H1 WAT X1526 8.894 11.014 16.138 0.00 0.00 +ATOM 6666 H2 WAT X1526 8.276 9.762 15.553 0.00 0.00 +ATOM 6667 O WAT X1527 59.919 41.856 55.786 0.00 0.00 +ATOM 6668 H1 WAT X1527 60.297 41.314 56.479 0.00 0.00 +ATOM 6669 H2 WAT X1527 58.974 41.744 55.884 0.00 0.00 +ATOM 6670 O WAT X1528 42.810 56.581 53.675 0.00 0.00 +ATOM 6671 H1 WAT X1528 43.257 56.742 52.844 0.00 0.00 +ATOM 6672 H2 WAT X1528 43.517 56.510 54.317 0.00 0.00 +ATOM 6673 O WAT X1529 31.674 43.726 14.932 0.00 0.00 +ATOM 6674 H1 WAT X1529 30.847 44.192 14.806 0.00 0.00 +ATOM 6675 H2 WAT X1529 31.901 43.401 14.061 0.00 0.00 +ATOM 6676 O WAT X1530 40.487 4.670 53.995 0.00 0.00 +ATOM 6677 H1 WAT X1530 40.990 4.188 54.652 0.00 0.00 +ATOM 6678 H2 WAT X1530 40.095 5.397 54.480 0.00 0.00 +ATOM 6679 O WAT X1531 68.314 32.604 6.200 0.00 0.00 +ATOM 6680 H1 WAT X1531 68.245 31.671 5.998 0.00 0.00 +ATOM 6681 H2 WAT X1531 68.613 33.005 5.384 0.00 0.00 +ATOM 6682 O WAT X1532 0.730 11.472 7.817 0.00 0.00 +ATOM 6683 H1 WAT X1532 1.250 11.381 8.615 0.00 0.00 +ATOM 6684 H2 WAT X1532 0.611 10.575 7.505 0.00 0.00 +ATOM 6685 O WAT X1533 38.894 16.896 21.630 0.00 0.00 +ATOM 6686 H1 WAT X1533 38.082 16.409 21.768 0.00 0.00 +ATOM 6687 H2 WAT X1533 39.436 16.678 22.389 0.00 0.00 +ATOM 6688 O WAT X1534 70.643 23.852 34.833 0.00 0.00 +ATOM 6689 H1 WAT X1534 71.098 24.158 35.617 0.00 0.00 +ATOM 6690 H2 WAT X1534 70.645 22.898 34.911 0.00 0.00 +ATOM 6691 O WAT X1535 29.306 36.334 9.805 0.00 0.00 +ATOM 6692 H1 WAT X1535 28.725 36.957 9.370 0.00 0.00 +ATOM 6693 H2 WAT X1535 28.954 35.475 9.571 0.00 0.00 +ATOM 6694 O WAT X1536 76.632 39.359 55.799 0.00 0.00 +ATOM 6695 H1 WAT X1536 77.445 39.812 56.021 0.00 0.00 +ATOM 6696 H2 WAT X1536 75.953 40.028 55.887 0.00 0.00 +ATOM 6697 O WAT X1537 5.211 38.484 37.773 0.00 0.00 +ATOM 6698 H1 WAT X1537 5.994 38.148 38.210 0.00 0.00 +ATOM 6699 H2 WAT X1537 4.746 37.700 37.480 0.00 0.00 +ATOM 6700 O WAT X1538 20.915 20.085 44.867 0.00 0.00 +ATOM 6701 H1 WAT X1538 21.454 19.728 45.572 0.00 0.00 +ATOM 6702 H2 WAT X1538 20.461 20.828 45.265 0.00 0.00 +ATOM 6703 O WAT X1539 33.097 10.531 20.275 0.00 0.00 +ATOM 6704 H1 WAT X1539 33.261 10.631 19.338 0.00 0.00 +ATOM 6705 H2 WAT X1539 33.457 11.326 20.668 0.00 0.00 +ATOM 6706 O WAT X1540 0.715 33.917 28.306 0.00 0.00 +ATOM 6707 H1 WAT X1540 1.290 34.402 27.714 0.00 0.00 +ATOM 6708 H2 WAT X1540 0.625 33.055 27.899 0.00 0.00 +ATOM 6709 O WAT X1541 59.882 58.666 38.527 0.00 0.00 +ATOM 6710 H1 WAT X1541 59.470 57.945 38.050 0.00 0.00 +ATOM 6711 H2 WAT X1541 59.706 59.439 37.991 0.00 0.00 +ATOM 6712 O WAT X1542 41.895 39.203 10.179 0.00 0.00 +ATOM 6713 H1 WAT X1542 42.847 39.193 10.083 0.00 0.00 +ATOM 6714 H2 WAT X1542 41.741 39.665 11.003 0.00 0.00 +ATOM 6715 O WAT X1543 76.108 59.978 27.650 0.00 0.00 +ATOM 6716 H1 WAT X1543 76.352 60.838 27.308 0.00 0.00 +ATOM 6717 H2 WAT X1543 75.415 60.160 28.285 0.00 0.00 +ATOM 6718 O WAT X1544 4.929 17.172 3.731 0.00 0.00 +ATOM 6719 H1 WAT X1544 4.120 17.679 3.792 0.00 0.00 +ATOM 6720 H2 WAT X1544 4.658 16.330 3.366 0.00 0.00 +ATOM 6721 O WAT X1545 6.644 56.130 44.036 0.00 0.00 +ATOM 6722 H1 WAT X1545 6.341 55.836 43.176 0.00 0.00 +ATOM 6723 H2 WAT X1545 7.482 55.684 44.160 0.00 0.00 +ATOM 6724 O WAT X1546 53.501 60.635 8.290 0.00 0.00 +ATOM 6725 H1 WAT X1546 53.527 60.643 7.333 0.00 0.00 +ATOM 6726 H2 WAT X1546 52.618 60.333 8.503 0.00 0.00 +ATOM 6727 O WAT X1547 60.623 20.414 53.173 0.00 0.00 +ATOM 6728 H1 WAT X1547 60.090 19.827 53.709 0.00 0.00 +ATOM 6729 H2 WAT X1547 60.003 20.803 52.555 0.00 0.00 +ATOM 6730 O WAT X1548 55.773 54.678 49.983 0.00 0.00 +ATOM 6731 H1 WAT X1548 55.040 54.146 49.673 0.00 0.00 +ATOM 6732 H2 WAT X1548 55.365 55.356 50.522 0.00 0.00 +ATOM 6733 O WAT X1549 13.049 20.850 54.306 0.00 0.00 +ATOM 6734 H1 WAT X1549 12.758 20.816 55.217 0.00 0.00 +ATOM 6735 H2 WAT X1549 13.344 21.752 54.182 0.00 0.00 +ATOM 6736 O WAT X1550 56.360 11.036 3.895 0.00 0.00 +ATOM 6737 H1 WAT X1550 56.533 10.118 4.103 0.00 0.00 +ATOM 6738 H2 WAT X1550 57.097 11.299 3.342 0.00 0.00 +ATOM 6739 O WAT X1551 70.348 14.512 1.668 0.00 0.00 +ATOM 6740 H1 WAT X1551 70.038 13.816 2.246 0.00 0.00 +ATOM 6741 H2 WAT X1551 70.406 15.284 2.232 0.00 0.00 +ATOM 6742 O WAT X1552 50.430 33.863 52.117 0.00 0.00 +ATOM 6743 H1 WAT X1552 50.297 33.230 51.412 0.00 0.00 +ATOM 6744 H2 WAT X1552 51.379 33.896 52.234 0.00 0.00 +ATOM 6745 O WAT X1553 34.223 16.880 16.645 0.00 0.00 +ATOM 6746 H1 WAT X1553 34.023 16.051 17.080 0.00 0.00 +ATOM 6747 H2 WAT X1553 35.054 16.720 16.196 0.00 0.00 +ATOM 6748 O WAT X1554 7.781 11.896 20.368 0.00 0.00 +ATOM 6749 H1 WAT X1554 6.843 11.718 20.435 0.00 0.00 +ATOM 6750 H2 WAT X1554 8.012 12.286 21.211 0.00 0.00 +ATOM 6751 O WAT X1555 32.428 44.438 6.549 0.00 0.00 +ATOM 6752 H1 WAT X1555 32.233 43.821 5.844 0.00 0.00 +ATOM 6753 H2 WAT X1555 32.468 45.291 6.116 0.00 0.00 +ATOM 6754 O WAT X1556 -0.166 17.473 35.589 0.00 0.00 +ATOM 6755 H1 WAT X1556 0.714 17.110 35.688 0.00 0.00 +ATOM 6756 H2 WAT X1556 -0.186 18.219 36.190 0.00 0.00 +ATOM 6757 O WAT X1557 61.509 6.503 48.266 0.00 0.00 +ATOM 6758 H1 WAT X1557 62.270 5.953 48.452 0.00 0.00 +ATOM 6759 H2 WAT X1557 61.074 6.604 49.113 0.00 0.00 +ATOM 6760 O WAT X1558 30.181 44.454 1.639 0.00 0.00 +ATOM 6761 H1 WAT X1558 30.969 43.960 1.866 0.00 0.00 +ATOM 6762 H2 WAT X1558 30.092 44.341 0.692 0.00 0.00 +ATOM 6763 O WAT X1559 71.952 42.504 36.228 0.00 0.00 +ATOM 6764 H1 WAT X1559 72.843 42.311 36.519 0.00 0.00 +ATOM 6765 H2 WAT X1559 71.781 43.389 36.552 0.00 0.00 +ATOM 6766 O WAT X1560 29.092 49.819 43.793 0.00 0.00 +ATOM 6767 H1 WAT X1560 28.646 49.152 43.271 0.00 0.00 +ATOM 6768 H2 WAT X1560 28.457 50.062 44.466 0.00 0.00 +ATOM 6769 O WAT X1561 15.964 55.203 9.165 0.00 0.00 +ATOM 6770 H1 WAT X1561 16.867 55.205 9.482 0.00 0.00 +ATOM 6771 H2 WAT X1561 16.014 54.797 8.300 0.00 0.00 +ATOM 6772 O WAT X1562 10.142 32.993 57.267 0.00 0.00 +ATOM 6773 H1 WAT X1562 10.436 32.659 58.115 0.00 0.00 +ATOM 6774 H2 WAT X1562 10.647 33.796 57.137 0.00 0.00 +ATOM 6775 O WAT X1563 30.003 47.013 42.944 0.00 0.00 +ATOM 6776 H1 WAT X1563 30.469 46.492 43.598 0.00 0.00 +ATOM 6777 H2 WAT X1563 30.498 47.831 42.893 0.00 0.00 +ATOM 6778 O WAT X1564 38.538 25.040 6.465 0.00 0.00 +ATOM 6779 H1 WAT X1564 38.963 25.124 5.611 0.00 0.00 +ATOM 6780 H2 WAT X1564 38.607 25.912 6.854 0.00 0.00 +ATOM 6781 O WAT X1565 11.635 39.439 0.217 0.00 0.00 +ATOM 6782 H1 WAT X1565 12.568 39.544 0.403 0.00 0.00 +ATOM 6783 H2 WAT X1565 11.226 39.355 1.078 0.00 0.00 +ATOM 6784 O WAT X1566 69.624 31.418 47.358 0.00 0.00 +ATOM 6785 H1 WAT X1566 69.348 31.206 48.249 0.00 0.00 +ATOM 6786 H2 WAT X1566 70.574 31.305 47.367 0.00 0.00 +ATOM 6787 O WAT X1567 58.110 33.796 39.011 0.00 0.00 +ATOM 6788 H1 WAT X1567 57.344 34.287 39.306 0.00 0.00 +ATOM 6789 H2 WAT X1567 58.506 33.463 39.816 0.00 0.00 +ATOM 6790 O WAT X1568 69.505 8.737 24.128 0.00 0.00 +ATOM 6791 H1 WAT X1568 68.863 9.412 24.348 0.00 0.00 +ATOM 6792 H2 WAT X1568 69.061 8.184 23.484 0.00 0.00 +ATOM 6793 O WAT X1569 42.860 29.753 7.595 0.00 0.00 +ATOM 6794 H1 WAT X1569 43.296 30.538 7.925 0.00 0.00 +ATOM 6795 H2 WAT X1569 43.120 29.061 8.203 0.00 0.00 +ATOM 6796 O WAT X1570 5.145 22.498 41.544 0.00 0.00 +ATOM 6797 H1 WAT X1570 5.992 22.467 41.988 0.00 0.00 +ATOM 6798 H2 WAT X1570 4.984 23.430 41.398 0.00 0.00 +ATOM 6799 O WAT X1571 25.476 46.598 14.651 0.00 0.00 +ATOM 6800 H1 WAT X1571 25.734 46.661 13.731 0.00 0.00 +ATOM 6801 H2 WAT X1571 24.640 46.133 14.634 0.00 0.00 +ATOM 6802 O WAT X1572 61.596 6.308 14.900 0.00 0.00 +ATOM 6803 H1 WAT X1572 61.983 6.952 14.307 0.00 0.00 +ATOM 6804 H2 WAT X1572 62.321 6.035 15.463 0.00 0.00 +ATOM 6805 O WAT X1573 62.483 16.945 35.277 0.00 0.00 +ATOM 6806 H1 WAT X1573 62.016 16.185 34.929 0.00 0.00 +ATOM 6807 H2 WAT X1573 62.810 16.657 36.129 0.00 0.00 +ATOM 6808 O WAT X1574 75.498 17.034 47.295 0.00 0.00 +ATOM 6809 H1 WAT X1574 74.636 16.642 47.433 0.00 0.00 +ATOM 6810 H2 WAT X1574 75.565 17.137 46.345 0.00 0.00 +ATOM 6811 O WAT X1575 17.192 45.991 30.170 0.00 0.00 +ATOM 6812 H1 WAT X1575 17.280 46.577 29.418 0.00 0.00 +ATOM 6813 H2 WAT X1575 17.410 46.538 30.925 0.00 0.00 +ATOM 6814 O WAT X1576 71.570 27.494 12.261 0.00 0.00 +ATOM 6815 H1 WAT X1576 71.519 28.412 12.526 0.00 0.00 +ATOM 6816 H2 WAT X1576 71.519 27.004 13.082 0.00 0.00 +ATOM 6817 O WAT X1577 22.279 36.191 12.708 0.00 0.00 +ATOM 6818 H1 WAT X1577 22.671 36.843 12.128 0.00 0.00 +ATOM 6819 H2 WAT X1577 22.980 35.557 12.864 0.00 0.00 +ATOM 6820 O WAT X1578 19.753 27.989 53.815 0.00 0.00 +ATOM 6821 H1 WAT X1578 19.952 28.871 53.501 0.00 0.00 +ATOM 6822 H2 WAT X1578 19.664 28.086 54.763 0.00 0.00 +ATOM 6823 O WAT X1579 17.144 34.040 7.792 0.00 0.00 +ATOM 6824 H1 WAT X1579 17.669 34.832 7.676 0.00 0.00 +ATOM 6825 H2 WAT X1579 17.112 33.912 8.740 0.00 0.00 +ATOM 6826 O WAT X1580 21.118 51.437 31.378 0.00 0.00 +ATOM 6827 H1 WAT X1580 21.336 52.170 30.802 0.00 0.00 +ATOM 6828 H2 WAT X1580 21.406 51.721 32.245 0.00 0.00 +ATOM 6829 O WAT X1581 59.090 23.933 41.467 0.00 0.00 +ATOM 6830 H1 WAT X1581 58.491 24.363 42.078 0.00 0.00 +ATOM 6831 H2 WAT X1581 58.537 23.322 40.979 0.00 0.00 +ATOM 6832 O WAT X1582 4.293 23.562 38.721 0.00 0.00 +ATOM 6833 H1 WAT X1582 4.080 24.171 39.428 0.00 0.00 +ATOM 6834 H2 WAT X1582 5.249 23.576 38.673 0.00 0.00 +ATOM 6835 O WAT X1583 39.214 27.636 19.616 0.00 0.00 +ATOM 6836 H1 WAT X1583 38.678 28.176 20.197 0.00 0.00 +ATOM 6837 H2 WAT X1583 40.039 27.522 20.088 0.00 0.00 +ATOM 6838 O WAT X1584 61.526 30.184 54.227 0.00 0.00 +ATOM 6839 H1 WAT X1584 61.490 31.044 53.807 0.00 0.00 +ATOM 6840 H2 WAT X1584 62.367 29.818 53.952 0.00 0.00 +ATOM 6841 O WAT X1585 41.728 45.140 36.933 0.00 0.00 +ATOM 6842 H1 WAT X1585 40.994 44.526 36.931 0.00 0.00 +ATOM 6843 H2 WAT X1585 42.126 45.036 37.797 0.00 0.00 +ATOM 6844 O WAT X1586 64.250 4.354 22.009 0.00 0.00 +ATOM 6845 H1 WAT X1586 63.828 5.201 21.864 0.00 0.00 +ATOM 6846 H2 WAT X1586 64.909 4.294 21.318 0.00 0.00 +ATOM 6847 O WAT X1587 60.406 22.309 27.799 0.00 0.00 +ATOM 6848 H1 WAT X1587 60.226 23.166 27.412 0.00 0.00 +ATOM 6849 H2 WAT X1587 59.699 21.749 27.480 0.00 0.00 +ATOM 6850 O WAT X1588 8.945 6.404 19.641 0.00 0.00 +ATOM 6851 H1 WAT X1588 8.437 7.205 19.767 0.00 0.00 +ATOM 6852 H2 WAT X1588 9.381 6.263 20.481 0.00 0.00 +ATOM 6853 O WAT X1589 64.521 17.277 23.576 0.00 0.00 +ATOM 6854 H1 WAT X1589 64.656 16.458 24.053 0.00 0.00 +ATOM 6855 H2 WAT X1589 65.385 17.689 23.557 0.00 0.00 +ATOM 6856 O WAT X1590 55.083 45.916 12.048 0.00 0.00 +ATOM 6857 H1 WAT X1590 55.387 46.787 12.302 0.00 0.00 +ATOM 6858 H2 WAT X1590 54.267 45.796 12.533 0.00 0.00 +ATOM 6859 O WAT X1591 72.706 39.438 34.442 0.00 0.00 +ATOM 6860 H1 WAT X1591 73.572 39.831 34.339 0.00 0.00 +ATOM 6861 H2 WAT X1591 72.291 39.547 33.586 0.00 0.00 +ATOM 6862 O WAT X1592 77.262 14.312 21.578 0.00 0.00 +ATOM 6863 H1 WAT X1592 76.902 14.993 22.147 0.00 0.00 +ATOM 6864 H2 WAT X1592 77.987 13.940 22.080 0.00 0.00 +ATOM 6865 O WAT X1593 64.290 59.630 50.799 0.00 0.00 +ATOM 6866 H1 WAT X1593 63.536 60.141 50.503 0.00 0.00 +ATOM 6867 H2 WAT X1593 64.507 59.998 51.656 0.00 0.00 +ATOM 6868 O WAT X1594 44.708 20.545 54.740 0.00 0.00 +ATOM 6869 H1 WAT X1594 44.231 21.368 54.633 0.00 0.00 +ATOM 6870 H2 WAT X1594 45.450 20.769 55.302 0.00 0.00 +ATOM 6871 O WAT X1595 6.031 7.088 10.349 0.00 0.00 +ATOM 6872 H1 WAT X1595 6.554 7.312 9.579 0.00 0.00 +ATOM 6873 H2 WAT X1595 6.677 6.878 11.023 0.00 0.00 +ATOM 6874 O WAT X1596 14.149 46.743 1.367 0.00 0.00 +ATOM 6875 H1 WAT X1596 14.013 45.924 0.891 0.00 0.00 +ATOM 6876 H2 WAT X1596 14.444 46.470 2.235 0.00 0.00 +ATOM 6877 O WAT X1597 25.319 19.740 7.883 0.00 0.00 +ATOM 6878 H1 WAT X1597 25.183 19.068 8.550 0.00 0.00 +ATOM 6879 H2 WAT X1597 25.401 20.555 8.378 0.00 0.00 +ATOM 6880 O WAT X1598 24.918 42.812 11.579 0.00 0.00 +ATOM 6881 H1 WAT X1598 24.325 42.178 11.982 0.00 0.00 +ATOM 6882 H2 WAT X1598 25.631 42.282 11.224 0.00 0.00 +ATOM 6883 O WAT X1599 22.279 29.027 42.199 0.00 0.00 +ATOM 6884 H1 WAT X1599 21.590 29.291 42.808 0.00 0.00 +ATOM 6885 H2 WAT X1599 22.481 28.123 42.441 0.00 0.00 +ATOM 6886 O WAT X1600 58.597 23.369 17.343 0.00 0.00 +ATOM 6887 H1 WAT X1600 58.074 23.242 16.552 0.00 0.00 +ATOM 6888 H2 WAT X1600 58.074 22.975 18.042 0.00 0.00 +ATOM 6889 O WAT X1601 37.544 60.094 2.574 0.00 0.00 +ATOM 6890 H1 WAT X1601 37.142 59.655 3.324 0.00 0.00 +ATOM 6891 H2 WAT X1601 36.804 60.386 2.042 0.00 0.00 +ATOM 6892 O WAT X1602 31.395 11.701 35.131 0.00 0.00 +ATOM 6893 H1 WAT X1602 31.367 12.489 34.589 0.00 0.00 +ATOM 6894 H2 WAT X1602 32.216 11.272 34.889 0.00 0.00 +ATOM 6895 O WAT X1603 54.626 55.203 11.456 0.00 0.00 +ATOM 6896 H1 WAT X1603 55.269 54.742 10.917 0.00 0.00 +ATOM 6897 H2 WAT X1603 54.185 55.796 10.847 0.00 0.00 +ATOM 6898 O WAT X1604 63.347 24.768 24.878 0.00 0.00 +ATOM 6899 H1 WAT X1604 64.145 24.802 25.405 0.00 0.00 +ATOM 6900 H2 WAT X1604 63.591 24.255 24.107 0.00 0.00 +ATOM 6901 O WAT X1605 76.189 25.324 24.939 0.00 0.00 +ATOM 6902 H1 WAT X1605 75.975 24.416 24.724 0.00 0.00 +ATOM 6903 H2 WAT X1605 75.708 25.843 24.294 0.00 0.00 +ATOM 6904 O WAT X1606 77.712 33.278 38.425 0.00 0.00 +ATOM 6905 H1 WAT X1606 78.048 32.846 37.640 0.00 0.00 +ATOM 6906 H2 WAT X1606 76.760 33.241 38.330 0.00 0.00 +ATOM 6907 O WAT X1607 15.499 13.624 15.850 0.00 0.00 +ATOM 6908 H1 WAT X1607 14.678 14.096 15.712 0.00 0.00 +ATOM 6909 H2 WAT X1607 15.430 13.278 16.740 0.00 0.00 +ATOM 6910 O WAT X1608 30.613 0.382 22.779 0.00 0.00 +ATOM 6911 H1 WAT X1608 31.176 -0.310 22.433 0.00 0.00 +ATOM 6912 H2 WAT X1608 30.416 0.932 22.021 0.00 0.00 +ATOM 6913 O WAT X1609 9.673 22.950 11.421 0.00 0.00 +ATOM 6914 H1 WAT X1609 10.579 22.648 11.355 0.00 0.00 +ATOM 6915 H2 WAT X1609 9.501 22.988 12.362 0.00 0.00 +ATOM 6916 O WAT X1610 52.924 55.785 28.599 0.00 0.00 +ATOM 6917 H1 WAT X1610 52.986 56.080 29.508 0.00 0.00 +ATOM 6918 H2 WAT X1610 53.233 56.530 28.084 0.00 0.00 +ATOM 6919 O WAT X1611 40.967 52.294 20.148 0.00 0.00 +ATOM 6920 H1 WAT X1611 40.301 52.071 20.799 0.00 0.00 +ATOM 6921 H2 WAT X1611 41.368 53.097 20.481 0.00 0.00 +ATOM 6922 O WAT X1612 75.772 55.005 47.195 0.00 0.00 +ATOM 6923 H1 WAT X1612 75.885 55.955 47.164 0.00 0.00 +ATOM 6924 H2 WAT X1612 75.135 54.862 47.895 0.00 0.00 +ATOM 6925 O WAT X1613 6.039 43.387 52.320 0.00 0.00 +ATOM 6926 H1 WAT X1613 6.950 43.316 52.037 0.00 0.00 +ATOM 6927 H2 WAT X1613 5.718 42.485 52.323 0.00 0.00 +ATOM 6928 O WAT X1614 44.307 25.923 12.201 0.00 0.00 +ATOM 6929 H1 WAT X1614 43.409 26.163 12.428 0.00 0.00 +ATOM 6930 H2 WAT X1614 44.781 25.952 13.032 0.00 0.00 +ATOM 6931 O WAT X1615 15.626 6.731 56.810 0.00 0.00 +ATOM 6932 H1 WAT X1615 15.338 7.277 56.079 0.00 0.00 +ATOM 6933 H2 WAT X1615 16.282 6.147 56.429 0.00 0.00 +ATOM 6934 O WAT X1616 77.012 15.846 44.492 0.00 0.00 +ATOM 6935 H1 WAT X1616 76.616 15.345 43.779 0.00 0.00 +ATOM 6936 H2 WAT X1616 77.294 15.184 45.123 0.00 0.00 +ATOM 6937 O WAT X1617 65.634 56.500 16.946 0.00 0.00 +ATOM 6938 H1 WAT X1617 64.703 56.326 17.078 0.00 0.00 +ATOM 6939 H2 WAT X1617 65.715 57.450 17.031 0.00 0.00 +ATOM 6940 O WAT X1618 30.310 7.316 13.101 0.00 0.00 +ATOM 6941 H1 WAT X1618 30.272 8.053 12.490 0.00 0.00 +ATOM 6942 H2 WAT X1618 29.547 7.434 13.666 0.00 0.00 +ATOM 6943 O WAT X1619 4.902 47.401 56.429 0.00 0.00 +ATOM 6944 H1 WAT X1619 5.736 47.870 56.400 0.00 0.00 +ATOM 6945 H2 WAT X1619 4.301 47.947 55.923 0.00 0.00 +ATOM 6946 O WAT X1620 14.221 41.348 12.624 0.00 0.00 +ATOM 6947 H1 WAT X1620 14.072 42.218 12.996 0.00 0.00 +ATOM 6948 H2 WAT X1620 14.593 40.840 13.345 0.00 0.00 +ATOM 6949 O WAT X1621 33.094 30.708 9.963 0.00 0.00 +ATOM 6950 H1 WAT X1621 33.990 31.035 10.032 0.00 0.00 +ATOM 6951 H2 WAT X1621 33.181 29.756 10.020 0.00 0.00 +ATOM 6952 O WAT X1622 20.902 7.503 31.759 0.00 0.00 +ATOM 6953 H1 WAT X1622 20.885 6.622 32.133 0.00 0.00 +ATOM 6954 H2 WAT X1622 21.722 7.881 32.076 0.00 0.00 +ATOM 6955 O WAT X1623 68.204 15.898 35.144 0.00 0.00 +ATOM 6956 H1 WAT X1623 67.615 16.590 34.842 0.00 0.00 +ATOM 6957 H2 WAT X1623 68.623 16.263 35.924 0.00 0.00 +ATOM 6958 O WAT X1624 5.472 21.345 19.797 0.00 0.00 +ATOM 6959 H1 WAT X1624 4.772 21.116 19.186 0.00 0.00 +ATOM 6960 H2 WAT X1624 5.015 21.630 20.589 0.00 0.00 +ATOM 6961 O WAT X1625 21.219 52.988 7.172 0.00 0.00 +ATOM 6962 H1 WAT X1625 20.297 52.766 7.045 0.00 0.00 +ATOM 6963 H2 WAT X1625 21.691 52.396 6.586 0.00 0.00 +ATOM 6964 O WAT X1626 25.012 4.796 46.877 0.00 0.00 +ATOM 6965 H1 WAT X1626 24.708 4.241 47.596 0.00 0.00 +ATOM 6966 H2 WAT X1626 25.280 4.179 46.196 0.00 0.00 +ATOM 6967 O WAT X1627 31.108 3.133 30.758 0.00 0.00 +ATOM 6968 H1 WAT X1627 30.906 3.959 31.197 0.00 0.00 +ATOM 6969 H2 WAT X1627 30.897 2.460 31.404 0.00 0.00 +ATOM 6970 O WAT X1628 38.928 0.083 38.160 0.00 0.00 +ATOM 6971 H1 WAT X1628 38.929 0.357 39.077 0.00 0.00 +ATOM 6972 H2 WAT X1628 39.302 0.827 37.687 0.00 0.00 +ATOM 6973 O WAT X1629 61.325 30.500 4.101 0.00 0.00 +ATOM 6974 H1 WAT X1629 61.967 29.791 4.115 0.00 0.00 +ATOM 6975 H2 WAT X1629 60.805 30.338 3.314 0.00 0.00 +ATOM 6976 O WAT X1630 57.584 27.064 26.560 0.00 0.00 +ATOM 6977 H1 WAT X1630 58.481 27.200 26.865 0.00 0.00 +ATOM 6978 H2 WAT X1630 57.578 26.167 26.226 0.00 0.00 +ATOM 6979 O WAT X1631 3.805 51.447 54.700 0.00 0.00 +ATOM 6980 H1 WAT X1631 4.634 51.922 54.643 0.00 0.00 +ATOM 6981 H2 WAT X1631 3.189 51.981 54.199 0.00 0.00 +ATOM 6982 O WAT X1632 69.704 46.859 28.743 0.00 0.00 +ATOM 6983 H1 WAT X1632 69.956 46.595 27.858 0.00 0.00 +ATOM 6984 H2 WAT X1632 68.887 46.391 28.909 0.00 0.00 +ATOM 6985 O WAT X1633 31.881 11.156 51.398 0.00 0.00 +ATOM 6986 H1 WAT X1633 32.824 11.086 51.546 0.00 0.00 +ATOM 6987 H2 WAT X1633 31.745 10.774 50.531 0.00 0.00 +ATOM 6988 O WAT X1634 1.142 53.476 21.115 0.00 0.00 +ATOM 6989 H1 WAT X1634 1.334 52.695 20.596 0.00 0.00 +ATOM 6990 H2 WAT X1634 0.592 54.014 20.545 0.00 0.00 +ATOM 6991 O WAT X1635 41.854 52.214 14.358 0.00 0.00 +ATOM 6992 H1 WAT X1635 42.317 53.047 14.272 0.00 0.00 +ATOM 6993 H2 WAT X1635 41.231 52.359 15.069 0.00 0.00 +ATOM 6994 O WAT X1636 1.574 29.571 23.479 0.00 0.00 +ATOM 6995 H1 WAT X1636 0.984 29.463 22.733 0.00 0.00 +ATOM 6996 H2 WAT X1636 1.310 28.886 24.094 0.00 0.00 +ATOM 6997 O WAT X1637 71.261 22.810 30.683 0.00 0.00 +ATOM 6998 H1 WAT X1637 72.207 22.712 30.795 0.00 0.00 +ATOM 6999 H2 WAT X1637 70.961 21.943 30.412 0.00 0.00 +ATOM 7000 O WAT X1638 8.028 9.451 56.759 0.00 0.00 +ATOM 7001 H1 WAT X1638 7.097 9.274 56.624 0.00 0.00 +ATOM 7002 H2 WAT X1638 8.196 9.172 57.660 0.00 0.00 +ATOM 7003 O WAT X1639 9.538 54.147 36.740 0.00 0.00 +ATOM 7004 H1 WAT X1639 9.319 53.982 37.657 0.00 0.00 +ATOM 7005 H2 WAT X1639 10.096 53.410 36.491 0.00 0.00 +ATOM 7006 O WAT X1640 17.978 23.172 22.082 0.00 0.00 +ATOM 7007 H1 WAT X1640 18.329 24.044 22.264 0.00 0.00 +ATOM 7008 H2 WAT X1640 17.401 23.298 21.329 0.00 0.00 +ATOM 7009 O WAT X1641 30.187 16.637 33.807 0.00 0.00 +ATOM 7010 H1 WAT X1641 30.917 17.234 33.641 0.00 0.00 +ATOM 7011 H2 WAT X1641 29.731 16.577 32.968 0.00 0.00 +ATOM 7012 O WAT X1642 3.114 44.069 15.980 0.00 0.00 +ATOM 7013 H1 WAT X1642 3.126 43.577 16.801 0.00 0.00 +ATOM 7014 H2 WAT X1642 2.231 43.937 15.635 0.00 0.00 +ATOM 7015 O WAT X1643 31.677 50.432 58.165 0.00 0.00 +ATOM 7016 H1 WAT X1643 31.574 49.884 57.387 0.00 0.00 +ATOM 7017 H2 WAT X1643 31.251 49.936 58.865 0.00 0.00 +ATOM 7018 O WAT X1644 9.329 8.356 38.323 0.00 0.00 +ATOM 7019 H1 WAT X1644 9.777 8.812 39.036 0.00 0.00 +ATOM 7020 H2 WAT X1644 8.454 8.176 38.667 0.00 0.00 +ATOM 7021 O WAT X1645 71.445 16.647 28.610 0.00 0.00 +ATOM 7022 H1 WAT X1645 71.351 16.060 29.359 0.00 0.00 +ATOM 7023 H2 WAT X1645 70.574 16.672 28.213 0.00 0.00 +ATOM 7024 O WAT X1646 16.995 50.159 11.332 0.00 0.00 +ATOM 7025 H1 WAT X1646 17.273 50.328 10.432 0.00 0.00 +ATOM 7026 H2 WAT X1646 17.464 49.363 11.582 0.00 0.00 +ATOM 7027 O WAT X1647 5.455 21.298 49.810 0.00 0.00 +ATOM 7028 H1 WAT X1647 5.709 20.695 50.510 0.00 0.00 +ATOM 7029 H2 WAT X1647 6.165 21.940 49.778 0.00 0.00 +ATOM 7030 O WAT X1648 76.808 20.792 57.199 0.00 0.00 +ATOM 7031 H1 WAT X1648 76.776 20.213 56.438 0.00 0.00 +ATOM 7032 H2 WAT X1648 77.360 21.523 56.920 0.00 0.00 +ATOM 7033 O WAT X1649 72.496 61.301 47.304 0.00 0.00 +ATOM 7034 H1 WAT X1649 72.619 62.220 47.066 0.00 0.00 +ATOM 7035 H2 WAT X1649 72.146 60.894 46.512 0.00 0.00 +ATOM 7036 O WAT X1650 74.195 25.154 27.957 0.00 0.00 +ATOM 7037 H1 WAT X1650 73.724 25.755 28.535 0.00 0.00 +ATOM 7038 H2 WAT X1650 74.602 25.722 27.303 0.00 0.00 +ATOM 7039 O WAT X1651 23.478 27.252 46.992 0.00 0.00 +ATOM 7040 H1 WAT X1651 22.773 27.361 47.629 0.00 0.00 +ATOM 7041 H2 WAT X1651 23.034 26.988 46.186 0.00 0.00 +ATOM 7042 O WAT X1652 76.961 37.255 43.122 0.00 0.00 +ATOM 7043 H1 WAT X1652 76.027 37.304 43.324 0.00 0.00 +ATOM 7044 H2 WAT X1652 77.032 37.599 42.231 0.00 0.00 +ATOM 7045 O WAT X1653 58.258 23.462 32.926 0.00 0.00 +ATOM 7046 H1 WAT X1653 58.653 23.322 33.786 0.00 0.00 +ATOM 7047 H2 WAT X1653 57.368 23.122 33.012 0.00 0.00 +ATOM 7048 O WAT X1654 71.547 18.925 22.894 0.00 0.00 +ATOM 7049 H1 WAT X1654 72.195 19.107 23.575 0.00 0.00 +ATOM 7050 H2 WAT X1654 70.707 19.139 23.299 0.00 0.00 +ATOM 7051 O WAT X1655 12.992 5.502 57.592 0.00 0.00 +ATOM 7052 H1 WAT X1655 13.644 6.021 57.121 0.00 0.00 +ATOM 7053 H2 WAT X1655 12.373 5.223 56.917 0.00 0.00 +ATOM 7054 O WAT X1656 43.004 25.049 50.890 0.00 0.00 +ATOM 7055 H1 WAT X1656 42.454 25.103 50.108 0.00 0.00 +ATOM 7056 H2 WAT X1656 43.775 25.576 50.677 0.00 0.00 +ATOM 7057 O WAT X1657 40.033 19.334 20.588 0.00 0.00 +ATOM 7058 H1 WAT X1657 39.333 18.815 20.986 0.00 0.00 +ATOM 7059 H2 WAT X1657 40.827 18.823 20.744 0.00 0.00 +ATOM 7060 O WAT X1658 54.471 54.454 23.323 0.00 0.00 +ATOM 7061 H1 WAT X1658 54.787 54.188 22.459 0.00 0.00 +ATOM 7062 H2 WAT X1658 54.692 55.383 23.382 0.00 0.00 +ATOM 7063 O WAT X1659 46.557 53.779 1.482 0.00 0.00 +ATOM 7064 H1 WAT X1659 46.592 54.609 1.958 0.00 0.00 +ATOM 7065 H2 WAT X1659 45.646 53.496 1.563 0.00 0.00 +ATOM 7066 O WAT X1660 55.399 28.518 25.892 0.00 0.00 +ATOM 7067 H1 WAT X1660 56.008 27.881 26.264 0.00 0.00 +ATOM 7068 H2 WAT X1660 55.785 28.756 25.049 0.00 0.00 +ATOM 7069 O WAT X1661 10.552 22.308 30.839 0.00 0.00 +ATOM 7070 H1 WAT X1661 10.967 22.723 31.595 0.00 0.00 +ATOM 7071 H2 WAT X1661 9.636 22.204 31.096 0.00 0.00 +ATOM 7072 O WAT X1662 50.946 10.053 12.151 0.00 0.00 +ATOM 7073 H1 WAT X1662 51.757 9.937 12.647 0.00 0.00 +ATOM 7074 H2 WAT X1662 51.007 9.415 11.440 0.00 0.00 +ATOM 7075 O WAT X1663 65.199 18.526 6.509 0.00 0.00 +ATOM 7076 H1 WAT X1663 65.992 18.832 6.069 0.00 0.00 +ATOM 7077 H2 WAT X1663 65.116 17.610 6.243 0.00 0.00 +ATOM 7078 O WAT X1664 13.126 59.433 54.457 0.00 0.00 +ATOM 7079 H1 WAT X1664 12.686 58.586 54.527 0.00 0.00 +ATOM 7080 H2 WAT X1664 13.142 59.618 53.518 0.00 0.00 +ATOM 7081 O WAT X1665 66.743 42.951 45.481 0.00 0.00 +ATOM 7082 H1 WAT X1665 67.031 43.039 46.389 0.00 0.00 +ATOM 7083 H2 WAT X1665 67.000 43.775 45.067 0.00 0.00 +ATOM 7084 O WAT X1666 59.406 60.518 16.585 0.00 0.00 +ATOM 7085 H1 WAT X1666 60.347 60.384 16.701 0.00 0.00 +ATOM 7086 H2 WAT X1666 59.188 60.013 15.802 0.00 0.00 +ATOM 7087 O WAT X1667 39.219 27.622 55.207 0.00 0.00 +ATOM 7088 H1 WAT X1667 39.537 27.445 56.092 0.00 0.00 +ATOM 7089 H2 WAT X1667 39.893 28.179 54.817 0.00 0.00 +ATOM 7090 O WAT X1668 16.735 38.808 8.380 0.00 0.00 +ATOM 7091 H1 WAT X1668 16.378 39.239 7.604 0.00 0.00 +ATOM 7092 H2 WAT X1668 16.240 37.992 8.450 0.00 0.00 +ATOM 7093 O WAT X1669 20.505 45.802 48.875 0.00 0.00 +ATOM 7094 H1 WAT X1669 20.957 46.548 49.267 0.00 0.00 +ATOM 7095 H2 WAT X1669 20.056 45.381 49.608 0.00 0.00 +ATOM 7096 O WAT X1670 50.958 62.115 44.390 0.00 0.00 +ATOM 7097 H1 WAT X1670 50.108 61.738 44.617 0.00 0.00 +ATOM 7098 H2 WAT X1670 50.822 62.513 43.531 0.00 0.00 +ATOM 7099 O WAT X1671 65.748 3.658 49.376 0.00 0.00 +ATOM 7100 H1 WAT X1671 65.386 4.535 49.251 0.00 0.00 +ATOM 7101 H2 WAT X1671 65.694 3.509 50.320 0.00 0.00 +ATOM 7102 O WAT X1672 25.023 62.250 16.485 0.00 0.00 +ATOM 7103 H1 WAT X1672 25.652 61.548 16.323 0.00 0.00 +ATOM 7104 H2 WAT X1672 25.128 62.456 17.414 0.00 0.00 +ATOM 7105 O WAT X1673 52.457 21.726 19.444 0.00 0.00 +ATOM 7106 H1 WAT X1673 52.129 21.586 20.332 0.00 0.00 +ATOM 7107 H2 WAT X1673 52.087 21.003 18.936 0.00 0.00 +ATOM 7108 O WAT X1674 76.623 48.104 32.398 0.00 0.00 +ATOM 7109 H1 WAT X1674 76.982 48.182 33.282 0.00 0.00 +ATOM 7110 H2 WAT X1674 76.390 49.000 32.154 0.00 0.00 +ATOM 7111 O WAT X1675 18.763 55.598 2.220 0.00 0.00 +ATOM 7112 H1 WAT X1675 18.517 56.413 2.658 0.00 0.00 +ATOM 7113 H2 WAT X1675 19.712 55.664 2.108 0.00 0.00 +ATOM 7114 O WAT X1676 60.471 49.857 0.286 0.00 0.00 +ATOM 7115 H1 WAT X1676 61.379 50.139 0.395 0.00 0.00 +ATOM 7116 H2 WAT X1676 60.529 49.060 -0.240 0.00 0.00 +ATOM 7117 O WAT X1677 24.408 61.478 2.949 0.00 0.00 +ATOM 7118 H1 WAT X1677 24.782 61.885 3.731 0.00 0.00 +ATOM 7119 H2 WAT X1677 23.877 60.756 3.285 0.00 0.00 +ATOM 7120 O WAT X1678 0.643 17.005 46.783 0.00 0.00 +ATOM 7121 H1 WAT X1678 0.533 16.937 45.834 0.00 0.00 +ATOM 7122 H2 WAT X1678 -0.163 16.636 47.145 0.00 0.00 +ATOM 7123 O WAT X1679 59.382 18.363 24.826 0.00 0.00 +ATOM 7124 H1 WAT X1679 59.134 18.517 25.738 0.00 0.00 +ATOM 7125 H2 WAT X1679 60.044 17.673 24.872 0.00 0.00 +ATOM 7126 O WAT X1680 12.401 32.400 3.888 0.00 0.00 +ATOM 7127 H1 WAT X1680 12.937 31.629 4.076 0.00 0.00 +ATOM 7128 H2 WAT X1680 12.893 33.131 4.262 0.00 0.00 +ATOM 7129 O WAT X1681 21.461 5.692 35.483 0.00 0.00 +ATOM 7130 H1 WAT X1681 20.551 5.765 35.774 0.00 0.00 +ATOM 7131 H2 WAT X1681 21.975 5.757 36.288 0.00 0.00 +ATOM 7132 O WAT X1682 64.444 58.092 44.234 0.00 0.00 +ATOM 7133 H1 WAT X1682 65.310 58.461 44.409 0.00 0.00 +ATOM 7134 H2 WAT X1682 64.467 57.225 44.640 0.00 0.00 +ATOM 7135 O WAT X1683 28.607 7.510 9.600 0.00 0.00 +ATOM 7136 H1 WAT X1683 28.352 6.770 9.050 0.00 0.00 +ATOM 7137 H2 WAT X1683 29.564 7.505 9.581 0.00 0.00 +ATOM 7138 O WAT X1684 10.195 4.099 25.941 0.00 0.00 +ATOM 7139 H1 WAT X1684 9.822 4.359 26.784 0.00 0.00 +ATOM 7140 H2 WAT X1684 10.725 3.328 26.142 0.00 0.00 +ATOM 7141 O WAT X1685 33.694 45.544 22.002 0.00 0.00 +ATOM 7142 H1 WAT X1685 33.479 44.638 22.226 0.00 0.00 +ATOM 7143 H2 WAT X1685 33.092 46.070 22.529 0.00 0.00 +ATOM 7144 O WAT X1686 62.390 41.199 35.021 0.00 0.00 +ATOM 7145 H1 WAT X1686 62.931 41.098 35.804 0.00 0.00 +ATOM 7146 H2 WAT X1686 61.753 41.874 35.255 0.00 0.00 +ATOM 7147 O WAT X1687 43.166 11.012 1.590 0.00 0.00 +ATOM 7148 H1 WAT X1687 43.967 11.442 1.892 0.00 0.00 +ATOM 7149 H2 WAT X1687 43.056 10.267 2.180 0.00 0.00 +ATOM 7150 O WAT X1688 23.756 24.688 49.947 0.00 0.00 +ATOM 7151 H1 WAT X1688 24.473 24.409 49.378 0.00 0.00 +ATOM 7152 H2 WAT X1688 22.963 24.420 49.482 0.00 0.00 +ATOM 7153 O WAT X1689 15.929 44.747 33.747 0.00 0.00 +ATOM 7154 H1 WAT X1689 15.452 44.745 32.916 0.00 0.00 +ATOM 7155 H2 WAT X1689 16.839 44.913 33.500 0.00 0.00 +ATOM 7156 O WAT X1690 63.960 58.094 14.137 0.00 0.00 +ATOM 7157 H1 WAT X1690 63.843 58.821 14.749 0.00 0.00 +ATOM 7158 H2 WAT X1690 64.151 57.340 14.695 0.00 0.00 +ATOM 7159 O WAT X1691 7.045 15.338 4.429 0.00 0.00 +ATOM 7160 H1 WAT X1691 6.806 14.637 3.822 0.00 0.00 +ATOM 7161 H2 WAT X1691 6.387 16.018 4.281 0.00 0.00 +ATOM 7162 O WAT X1692 72.221 35.460 37.034 0.00 0.00 +ATOM 7163 H1 WAT X1692 71.894 36.053 37.712 0.00 0.00 +ATOM 7164 H2 WAT X1692 71.996 35.892 36.210 0.00 0.00 +ATOM 7165 O WAT X1693 5.272 49.505 31.141 0.00 0.00 +ATOM 7166 H1 WAT X1693 4.767 50.258 31.448 0.00 0.00 +ATOM 7167 H2 WAT X1693 4.952 49.348 30.253 0.00 0.00 +ATOM 7168 O WAT X1694 44.803 23.495 0.532 0.00 0.00 +ATOM 7169 H1 WAT X1694 45.754 23.507 0.418 0.00 0.00 +ATOM 7170 H2 WAT X1694 44.514 22.717 0.056 0.00 0.00 +ATOM 7171 O WAT X1695 6.689 6.278 53.424 0.00 0.00 +ATOM 7172 H1 WAT X1695 6.169 7.077 53.340 0.00 0.00 +ATOM 7173 H2 WAT X1695 7.517 6.570 53.804 0.00 0.00 +ATOM 7174 O WAT X1696 13.712 7.640 15.541 0.00 0.00 +ATOM 7175 H1 WAT X1696 13.776 6.698 15.386 0.00 0.00 +ATOM 7176 H2 WAT X1696 13.477 7.715 16.466 0.00 0.00 +ATOM 7177 O WAT X1697 36.630 59.646 42.744 0.00 0.00 +ATOM 7178 H1 WAT X1697 36.464 59.609 41.802 0.00 0.00 +ATOM 7179 H2 WAT X1697 35.968 60.251 43.080 0.00 0.00 +ATOM 7180 O WAT X1698 51.449 52.346 27.883 0.00 0.00 +ATOM 7181 H1 WAT X1698 50.851 53.068 28.078 0.00 0.00 +ATOM 7182 H2 WAT X1698 52.287 52.772 27.699 0.00 0.00 +ATOM 7183 O WAT X1699 17.177 0.136 30.853 0.00 0.00 +ATOM 7184 H1 WAT X1699 16.733 -0.712 30.842 0.00 0.00 +ATOM 7185 H2 WAT X1699 16.766 0.631 30.144 0.00 0.00 +ATOM 7186 O WAT X1700 28.074 50.429 9.555 0.00 0.00 +ATOM 7187 H1 WAT X1700 27.207 50.834 9.560 0.00 0.00 +ATOM 7188 H2 WAT X1700 28.620 51.025 10.068 0.00 0.00 +ATOM 7189 O WAT X1701 46.620 22.076 13.443 0.00 0.00 +ATOM 7190 H1 WAT X1701 47.256 22.334 14.110 0.00 0.00 +ATOM 7191 H2 WAT X1701 45.770 22.184 13.868 0.00 0.00 +ATOM 7192 O WAT X1702 15.430 33.365 51.994 0.00 0.00 +ATOM 7193 H1 WAT X1702 15.776 34.243 52.157 0.00 0.00 +ATOM 7194 H2 WAT X1702 15.929 32.799 52.583 0.00 0.00 +ATOM 7195 O WAT X1703 6.920 4.857 18.449 0.00 0.00 +ATOM 7196 H1 WAT X1703 7.513 5.428 18.937 0.00 0.00 +ATOM 7197 H2 WAT X1703 7.065 3.988 18.822 0.00 0.00 +ATOM 7198 O WAT X1704 59.489 62.336 11.005 0.00 0.00 +ATOM 7199 H1 WAT X1704 59.956 63.048 11.441 0.00 0.00 +ATOM 7200 H2 WAT X1704 58.641 62.713 10.771 0.00 0.00 +ATOM 7201 O WAT X1705 22.912 15.824 38.967 0.00 0.00 +ATOM 7202 H1 WAT X1705 23.338 15.294 39.640 0.00 0.00 +ATOM 7203 H2 WAT X1705 22.928 16.715 39.317 0.00 0.00 +ATOM 7204 O WAT X1706 69.695 13.092 6.915 0.00 0.00 +ATOM 7205 H1 WAT X1706 68.955 12.656 6.492 0.00 0.00 +ATOM 7206 H2 WAT X1706 69.765 12.668 7.771 0.00 0.00 +ATOM 7207 O WAT X1707 18.626 25.604 48.561 0.00 0.00 +ATOM 7208 H1 WAT X1707 18.479 25.875 47.655 0.00 0.00 +ATOM 7209 H2 WAT X1707 18.394 26.373 49.081 0.00 0.00 +ATOM 7210 O WAT X1708 72.656 34.238 22.596 0.00 0.00 +ATOM 7211 H1 WAT X1708 72.561 33.287 22.549 0.00 0.00 +ATOM 7212 H2 WAT X1708 71.781 34.557 22.815 0.00 0.00 +ATOM 7213 O WAT X1709 73.575 24.554 20.497 0.00 0.00 +ATOM 7214 H1 WAT X1709 74.141 25.270 20.210 0.00 0.00 +ATOM 7215 H2 WAT X1709 74.100 24.077 21.140 0.00 0.00 +ATOM 7216 O WAT X1710 48.349 9.012 32.086 0.00 0.00 +ATOM 7217 H1 WAT X1710 49.195 9.061 31.641 0.00 0.00 +ATOM 7218 H2 WAT X1710 48.276 8.098 32.361 0.00 0.00 +ATOM 7219 O WAT X1711 15.912 57.042 4.821 0.00 0.00 +ATOM 7220 H1 WAT X1711 15.573 56.711 3.989 0.00 0.00 +ATOM 7221 H2 WAT X1711 15.329 56.669 5.482 0.00 0.00 +ATOM 7222 O WAT X1712 25.833 3.055 16.962 0.00 0.00 +ATOM 7223 H1 WAT X1712 25.721 3.055 17.913 0.00 0.00 +ATOM 7224 H2 WAT X1712 25.020 2.679 16.625 0.00 0.00 +ATOM 7225 O WAT X1713 45.428 38.008 6.356 0.00 0.00 +ATOM 7226 H1 WAT X1713 45.656 37.116 6.096 0.00 0.00 +ATOM 7227 H2 WAT X1713 45.705 38.550 5.617 0.00 0.00 +ATOM 7228 O WAT X1714 63.904 8.553 46.797 0.00 0.00 +ATOM 7229 H1 WAT X1714 63.031 8.939 46.725 0.00 0.00 +ATOM 7230 H2 WAT X1714 63.809 7.677 46.422 0.00 0.00 +ATOM 7231 O WAT X1715 36.909 53.740 13.105 0.00 0.00 +ATOM 7232 H1 WAT X1715 37.510 54.312 12.626 0.00 0.00 +ATOM 7233 H2 WAT X1715 36.550 53.157 12.436 0.00 0.00 +ATOM 7234 O WAT X1716 72.687 6.651 9.756 0.00 0.00 +ATOM 7235 H1 WAT X1716 72.405 6.916 8.880 0.00 0.00 +ATOM 7236 H2 WAT X1716 72.562 7.432 10.295 0.00 0.00 +ATOM 7237 O WAT X1717 47.934 46.848 51.251 0.00 0.00 +ATOM 7238 H1 WAT X1717 48.091 46.269 51.997 0.00 0.00 +ATOM 7239 H2 WAT X1717 47.423 46.318 50.640 0.00 0.00 +ATOM 7240 O WAT X1718 37.642 35.033 8.849 0.00 0.00 +ATOM 7241 H1 WAT X1718 37.943 35.898 8.570 0.00 0.00 +ATOM 7242 H2 WAT X1718 36.690 35.072 8.765 0.00 0.00 +ATOM 7243 O WAT X1719 29.471 6.336 30.773 0.00 0.00 +ATOM 7244 H1 WAT X1719 29.816 7.229 30.782 0.00 0.00 +ATOM 7245 H2 WAT X1719 29.795 5.946 31.585 0.00 0.00 +ATOM 7246 O WAT X1720 65.250 37.879 43.151 0.00 0.00 +ATOM 7247 H1 WAT X1720 66.028 37.450 42.797 0.00 0.00 +ATOM 7248 H2 WAT X1720 65.316 37.753 44.098 0.00 0.00 +ATOM 7249 O WAT X1721 56.392 29.353 51.794 0.00 0.00 +ATOM 7250 H1 WAT X1721 56.916 30.150 51.712 0.00 0.00 +ATOM 7251 H2 WAT X1721 55.547 29.581 51.405 0.00 0.00 +ATOM 7252 O WAT X1722 44.537 13.699 36.839 0.00 0.00 +ATOM 7253 H1 WAT X1722 44.221 14.481 37.291 0.00 0.00 +ATOM 7254 H2 WAT X1722 44.965 13.183 37.523 0.00 0.00 +ATOM 7255 O WAT X1723 30.553 37.058 40.233 0.00 0.00 +ATOM 7256 H1 WAT X1723 30.206 37.933 40.062 0.00 0.00 +ATOM 7257 H2 WAT X1723 29.961 36.470 39.763 0.00 0.00 +ATOM 7258 O WAT X1724 0.791 33.216 48.367 0.00 0.00 +ATOM 7259 H1 WAT X1724 1.705 32.943 48.450 0.00 0.00 +ATOM 7260 H2 WAT X1724 0.546 32.964 47.477 0.00 0.00 +ATOM 7261 O WAT X1725 41.390 0.818 3.610 0.00 0.00 +ATOM 7262 H1 WAT X1725 41.060 1.712 3.698 0.00 0.00 +ATOM 7263 H2 WAT X1725 40.703 0.270 3.989 0.00 0.00 +ATOM 7264 O WAT X1726 48.719 42.604 52.675 0.00 0.00 +ATOM 7265 H1 WAT X1726 48.138 42.983 52.016 0.00 0.00 +ATOM 7266 H2 WAT X1726 48.927 43.332 53.259 0.00 0.00 +ATOM 7267 O WAT X1727 62.157 28.030 37.075 0.00 0.00 +ATOM 7268 H1 WAT X1727 62.742 27.901 36.328 0.00 0.00 +ATOM 7269 H2 WAT X1727 62.050 28.979 37.135 0.00 0.00 +ATOM 7270 O WAT X1728 13.152 8.507 26.645 0.00 0.00 +ATOM 7271 H1 WAT X1728 12.785 9.159 26.048 0.00 0.00 +ATOM 7272 H2 WAT X1728 13.897 8.139 26.169 0.00 0.00 +ATOM 7273 O WAT X1729 62.569 42.163 32.507 0.00 0.00 +ATOM 7274 H1 WAT X1729 62.610 41.914 33.430 0.00 0.00 +ATOM 7275 H2 WAT X1729 63.124 41.524 32.061 0.00 0.00 +ATOM 7276 O WAT X1730 17.167 55.110 45.895 0.00 0.00 +ATOM 7277 H1 WAT X1730 17.996 55.291 46.338 0.00 0.00 +ATOM 7278 H2 WAT X1730 16.562 54.886 46.602 0.00 0.00 +ATOM 7279 O WAT X1731 39.759 7.659 46.139 0.00 0.00 +ATOM 7280 H1 WAT X1731 39.245 8.424 46.397 0.00 0.00 +ATOM 7281 H2 WAT X1731 39.906 7.182 46.956 0.00 0.00 +ATOM 7282 O WAT X1732 1.478 17.522 44.123 0.00 0.00 +ATOM 7283 H1 WAT X1732 1.151 16.780 43.615 0.00 0.00 +ATOM 7284 H2 WAT X1732 1.566 18.230 43.485 0.00 0.00 +ATOM 7285 O WAT X1733 12.148 63.072 14.002 0.00 0.00 +ATOM 7286 H1 WAT X1733 12.925 62.596 13.709 0.00 0.00 +ATOM 7287 H2 WAT X1733 11.959 62.712 14.868 0.00 0.00 +ATOM 7288 O WAT X1734 56.501 48.647 57.838 0.00 0.00 +ATOM 7289 H1 WAT X1734 56.805 47.739 57.821 0.00 0.00 +ATOM 7290 H2 WAT X1734 56.100 48.749 58.701 0.00 0.00 +ATOM 7291 O WAT X1735 67.283 17.870 57.313 0.00 0.00 +ATOM 7292 H1 WAT X1735 66.515 17.963 56.750 0.00 0.00 +ATOM 7293 H2 WAT X1735 67.887 17.326 56.806 0.00 0.00 +ATOM 7294 O WAT X1736 57.211 52.714 2.076 0.00 0.00 +ATOM 7295 H1 WAT X1736 57.207 53.318 2.819 0.00 0.00 +ATOM 7296 H2 WAT X1736 58.136 52.508 1.940 0.00 0.00 +ATOM 7297 O WAT X1737 46.756 5.935 29.968 0.00 0.00 +ATOM 7298 H1 WAT X1737 47.516 6.188 30.492 0.00 0.00 +ATOM 7299 H2 WAT X1737 46.990 5.082 29.603 0.00 0.00 +ATOM 7300 O WAT X1738 14.554 55.890 29.382 0.00 0.00 +ATOM 7301 H1 WAT X1738 14.369 56.072 30.303 0.00 0.00 +ATOM 7302 H2 WAT X1738 15.089 55.096 29.398 0.00 0.00 +ATOM 7303 O WAT X1739 76.863 47.800 0.025 0.00 0.00 +ATOM 7304 H1 WAT X1739 75.964 47.787 0.353 0.00 0.00 +ATOM 7305 H2 WAT X1739 77.024 46.904 -0.272 0.00 0.00 +ATOM 7306 O WAT X1740 71.159 20.949 45.509 0.00 0.00 +ATOM 7307 H1 WAT X1740 71.463 21.058 46.411 0.00 0.00 +ATOM 7308 H2 WAT X1740 70.756 21.789 45.290 0.00 0.00 +ATOM 7309 O WAT X1741 13.417 7.692 0.981 0.00 0.00 +ATOM 7310 H1 WAT X1741 13.198 8.331 0.303 0.00 0.00 +ATOM 7311 H2 WAT X1741 13.338 6.843 0.544 0.00 0.00 +ATOM 7312 O WAT X1742 31.103 4.535 22.387 0.00 0.00 +ATOM 7313 H1 WAT X1742 30.632 5.042 21.726 0.00 0.00 +ATOM 7314 H2 WAT X1742 31.380 3.742 21.929 0.00 0.00 +ATOM 7315 O WAT X1743 26.675 34.719 10.094 0.00 0.00 +ATOM 7316 H1 WAT X1743 26.307 33.900 10.427 0.00 0.00 +ATOM 7317 H2 WAT X1743 26.054 35.005 9.424 0.00 0.00 +ATOM 7318 O WAT X1744 45.050 14.561 48.991 0.00 0.00 +ATOM 7319 H1 WAT X1744 45.469 13.709 49.111 0.00 0.00 +ATOM 7320 H2 WAT X1744 45.735 15.115 48.615 0.00 0.00 +ATOM 7321 O WAT X1745 6.628 56.093 41.067 0.00 0.00 +ATOM 7322 H1 WAT X1745 6.606 55.704 40.193 0.00 0.00 +ATOM 7323 H2 WAT X1745 7.433 56.610 41.079 0.00 0.00 +ATOM 7324 O WAT X1746 42.814 54.216 46.359 0.00 0.00 +ATOM 7325 H1 WAT X1746 43.329 54.778 46.938 0.00 0.00 +ATOM 7326 H2 WAT X1746 41.905 54.447 46.547 0.00 0.00 +ATOM 7327 O WAT X1747 28.028 51.324 40.601 0.00 0.00 +ATOM 7328 H1 WAT X1747 28.718 51.669 41.167 0.00 0.00 +ATOM 7329 H2 WAT X1747 27.618 52.102 40.222 0.00 0.00 +ATOM 7330 O WAT X1748 22.204 58.302 1.214 0.00 0.00 +ATOM 7331 H1 WAT X1748 22.055 57.409 0.902 0.00 0.00 +ATOM 7332 H2 WAT X1748 21.602 58.400 1.953 0.00 0.00 +ATOM 7333 O WAT X1749 21.799 32.036 40.631 0.00 0.00 +ATOM 7334 H1 WAT X1749 21.413 32.228 39.776 0.00 0.00 +ATOM 7335 H2 WAT X1749 22.151 31.151 40.541 0.00 0.00 +ATOM 7336 O WAT X1750 9.891 6.454 16.570 0.00 0.00 +ATOM 7337 H1 WAT X1750 9.798 6.983 17.362 0.00 0.00 +ATOM 7338 H2 WAT X1750 10.787 6.617 16.276 0.00 0.00 +ATOM 7339 O WAT X1751 72.624 14.112 16.666 0.00 0.00 +ATOM 7340 H1 WAT X1751 71.704 13.864 16.575 0.00 0.00 +ATOM 7341 H2 WAT X1751 73.071 13.297 16.893 0.00 0.00 +ATOM 7342 O WAT X1752 67.199 48.775 6.194 0.00 0.00 +ATOM 7343 H1 WAT X1752 68.019 49.267 6.210 0.00 0.00 +ATOM 7344 H2 WAT X1752 67.398 47.993 5.679 0.00 0.00 +ATOM 7345 O WAT X1753 57.105 2.487 18.336 0.00 0.00 +ATOM 7346 H1 WAT X1753 57.791 1.903 18.014 0.00 0.00 +ATOM 7347 H2 WAT X1753 56.395 2.398 17.700 0.00 0.00 +ATOM 7348 O WAT X1754 67.365 29.816 39.516 0.00 0.00 +ATOM 7349 H1 WAT X1754 67.140 29.856 40.445 0.00 0.00 +ATOM 7350 H2 WAT X1754 66.765 29.165 39.151 0.00 0.00 +ATOM 7351 O WAT X1755 62.727 26.775 3.442 0.00 0.00 +ATOM 7352 H1 WAT X1755 62.413 27.154 2.621 0.00 0.00 +ATOM 7353 H2 WAT X1755 63.038 25.903 3.200 0.00 0.00 +ATOM 7354 O WAT X1756 32.514 53.205 26.717 0.00 0.00 +ATOM 7355 H1 WAT X1756 32.373 52.272 26.880 0.00 0.00 +ATOM 7356 H2 WAT X1756 31.761 53.472 26.190 0.00 0.00 +ATOM 7357 O WAT X1757 5.271 51.962 18.451 0.00 0.00 +ATOM 7358 H1 WAT X1757 5.438 52.904 18.461 0.00 0.00 +ATOM 7359 H2 WAT X1757 5.882 51.618 17.799 0.00 0.00 +ATOM 7360 O WAT X1758 74.487 61.888 44.866 0.00 0.00 +ATOM 7361 H1 WAT X1758 75.167 61.584 45.467 0.00 0.00 +ATOM 7362 H2 WAT X1758 73.782 62.193 45.437 0.00 0.00 +ATOM 7363 O WAT X1759 6.784 42.221 55.049 0.00 0.00 +ATOM 7364 H1 WAT X1759 6.423 41.495 54.539 0.00 0.00 +ATOM 7365 H2 WAT X1759 6.657 42.989 54.492 0.00 0.00 +ATOM 7366 O WAT X1760 77.649 7.385 4.181 0.00 0.00 +ATOM 7367 H1 WAT X1760 77.506 6.452 4.339 0.00 0.00 +ATOM 7368 H2 WAT X1760 77.001 7.618 3.516 0.00 0.00 +ATOM 7369 O WAT X1761 18.165 40.664 19.146 0.00 0.00 +ATOM 7370 H1 WAT X1761 17.991 39.989 18.490 0.00 0.00 +ATOM 7371 H2 WAT X1761 18.739 41.288 18.701 0.00 0.00 +ATOM 7372 O WAT X1762 62.128 32.677 15.184 0.00 0.00 +ATOM 7373 H1 WAT X1762 61.436 33.210 14.794 0.00 0.00 +ATOM 7374 H2 WAT X1762 61.958 31.791 14.864 0.00 0.00 +ATOM 7375 O WAT X1763 2.843 57.183 45.554 0.00 0.00 +ATOM 7376 H1 WAT X1763 3.760 56.947 45.409 0.00 0.00 +ATOM 7377 H2 WAT X1763 2.352 56.601 44.974 0.00 0.00 +ATOM 7378 O WAT X1764 55.897 17.389 0.246 0.00 0.00 +ATOM 7379 H1 WAT X1764 56.233 18.265 0.053 0.00 0.00 +ATOM 7380 H2 WAT X1764 55.523 17.464 1.123 0.00 0.00 +ATOM 7381 O WAT X1765 48.092 51.814 50.990 0.00 0.00 +ATOM 7382 H1 WAT X1765 48.849 51.535 51.505 0.00 0.00 +ATOM 7383 H2 WAT X1765 47.364 51.808 51.611 0.00 0.00 +ATOM 7384 O WAT X1766 72.353 41.602 20.824 0.00 0.00 +ATOM 7385 H1 WAT X1766 73.048 42.049 21.307 0.00 0.00 +ATOM 7386 H2 WAT X1766 71.543 41.974 21.172 0.00 0.00 +ATOM 7387 O WAT X1767 32.083 26.245 6.057 0.00 0.00 +ATOM 7388 H1 WAT X1767 32.250 25.409 5.620 0.00 0.00 +ATOM 7389 H2 WAT X1767 31.620 26.769 5.403 0.00 0.00 +ATOM 7390 O WAT X1768 9.264 22.791 8.879 0.00 0.00 +ATOM 7391 H1 WAT X1768 9.329 22.879 9.830 0.00 0.00 +ATOM 7392 H2 WAT X1768 9.124 21.855 8.734 0.00 0.00 +ATOM 7393 O WAT X1769 54.889 24.711 23.490 0.00 0.00 +ATOM 7394 H1 WAT X1769 54.236 25.165 24.023 0.00 0.00 +ATOM 7395 H2 WAT X1769 54.495 23.860 23.301 0.00 0.00 +ATOM 7396 O WAT X1770 58.989 16.984 34.864 0.00 0.00 +ATOM 7397 H1 WAT X1770 59.792 16.521 34.625 0.00 0.00 +ATOM 7398 H2 WAT X1770 58.629 17.284 34.030 0.00 0.00 +ATOM 7399 O WAT X1771 28.054 14.829 54.080 0.00 0.00 +ATOM 7400 H1 WAT X1771 27.551 14.384 54.762 0.00 0.00 +ATOM 7401 H2 WAT X1771 27.406 15.355 53.610 0.00 0.00 +ATOM 7402 O WAT X1772 10.783 46.590 48.818 0.00 0.00 +ATOM 7403 H1 WAT X1772 11.321 47.358 49.010 0.00 0.00 +ATOM 7404 H2 WAT X1772 11.076 46.302 47.953 0.00 0.00 +ATOM 7405 O WAT X1773 63.694 61.953 9.456 0.00 0.00 +ATOM 7406 H1 WAT X1773 64.403 61.351 9.232 0.00 0.00 +ATOM 7407 H2 WAT X1773 63.083 61.423 9.969 0.00 0.00 +ATOM 7408 O WAT X1774 14.246 5.982 6.404 0.00 0.00 +ATOM 7409 H1 WAT X1774 14.685 5.891 5.558 0.00 0.00 +ATOM 7410 H2 WAT X1774 14.268 6.921 6.585 0.00 0.00 +ATOM 7411 O WAT X1775 14.313 18.670 23.357 0.00 0.00 +ATOM 7412 H1 WAT X1775 15.150 18.206 23.338 0.00 0.00 +ATOM 7413 H2 WAT X1775 14.480 19.444 23.895 0.00 0.00 +ATOM 7414 O WAT X1776 2.098 22.609 0.526 0.00 0.00 +ATOM 7415 H1 WAT X1776 1.940 21.942 -0.142 0.00 0.00 +ATOM 7416 H2 WAT X1776 1.517 22.368 1.247 0.00 0.00 +ATOM 7417 O WAT X1777 24.815 14.765 48.829 0.00 0.00 +ATOM 7418 H1 WAT X1777 25.590 14.352 49.208 0.00 0.00 +ATOM 7419 H2 WAT X1777 24.088 14.449 49.366 0.00 0.00 +ATOM 7420 O WAT X1778 44.611 39.380 10.208 0.00 0.00 +ATOM 7421 H1 WAT X1778 45.167 39.939 9.666 0.00 0.00 +ATOM 7422 H2 WAT X1778 45.112 38.572 10.313 0.00 0.00 +ATOM 7423 O WAT X1779 33.282 19.190 54.772 0.00 0.00 +ATOM 7424 H1 WAT X1779 33.507 19.788 54.060 0.00 0.00 +ATOM 7425 H2 WAT X1779 32.668 18.569 54.379 0.00 0.00 +ATOM 7426 O WAT X1780 28.067 -0.303 33.270 0.00 0.00 +ATOM 7427 H1 WAT X1780 28.537 0.465 32.945 0.00 0.00 +ATOM 7428 H2 WAT X1780 27.234 0.043 33.590 0.00 0.00 +ATOM 7429 O WAT X1781 39.474 54.785 43.396 0.00 0.00 +ATOM 7430 H1 WAT X1781 39.254 55.653 43.060 0.00 0.00 +ATOM 7431 H2 WAT X1781 39.912 54.955 44.230 0.00 0.00 +ATOM 7432 O WAT X1782 77.063 61.720 23.931 0.00 0.00 +ATOM 7433 H1 WAT X1782 77.449 62.301 23.276 0.00 0.00 +ATOM 7434 H2 WAT X1782 76.667 62.311 24.572 0.00 0.00 +ATOM 7435 O WAT X1783 53.577 6.748 0.730 0.00 0.00 +ATOM 7436 H1 WAT X1783 53.281 5.864 0.512 0.00 0.00 +ATOM 7437 H2 WAT X1783 54.289 6.921 0.115 0.00 0.00 +ATOM 7438 O WAT X1784 30.532 9.718 55.031 0.00 0.00 +ATOM 7439 H1 WAT X1784 30.980 9.316 54.286 0.00 0.00 +ATOM 7440 H2 WAT X1784 30.486 9.023 55.687 0.00 0.00 +ATOM 7441 O WAT X1785 3.214 53.665 53.289 0.00 0.00 +ATOM 7442 H1 WAT X1785 3.052 54.522 53.682 0.00 0.00 +ATOM 7443 H2 WAT X1785 3.762 53.851 52.526 0.00 0.00 +ATOM 7444 O WAT X1786 72.540 55.118 21.167 0.00 0.00 +ATOM 7445 H1 WAT X1786 73.195 54.584 20.719 0.00 0.00 +ATOM 7446 H2 WAT X1786 72.878 55.216 22.057 0.00 0.00 +ATOM 7447 O WAT X1787 32.069 8.077 6.590 0.00 0.00 +ATOM 7448 H1 WAT X1787 32.151 9.014 6.414 0.00 0.00 +ATOM 7449 H2 WAT X1787 32.532 7.655 5.866 0.00 0.00 +ATOM 7450 O WAT X1788 40.738 4.340 23.103 0.00 0.00 +ATOM 7451 H1 WAT X1788 41.413 5.018 23.103 0.00 0.00 +ATOM 7452 H2 WAT X1788 39.913 4.824 23.140 0.00 0.00 +ATOM 7453 O WAT X1789 64.682 6.151 11.924 0.00 0.00 +ATOM 7454 H1 WAT X1789 64.730 5.885 12.842 0.00 0.00 +ATOM 7455 H2 WAT X1789 63.904 6.707 11.876 0.00 0.00 +ATOM 7456 O WAT X1790 8.449 62.944 28.490 0.00 0.00 +ATOM 7457 H1 WAT X1790 8.623 62.122 28.948 0.00 0.00 +ATOM 7458 H2 WAT X1790 9.312 63.248 28.208 0.00 0.00 +ATOM 7459 O WAT X1791 40.149 5.648 6.563 0.00 0.00 +ATOM 7460 H1 WAT X1791 40.342 5.016 5.871 0.00 0.00 +ATOM 7461 H2 WAT X1791 40.741 6.380 6.391 0.00 0.00 +ATOM 7462 O WAT X1792 2.735 34.551 26.503 0.00 0.00 +ATOM 7463 H1 WAT X1792 2.799 33.871 25.832 0.00 0.00 +ATOM 7464 H2 WAT X1792 3.636 34.679 26.800 0.00 0.00 +ATOM 7465 O WAT X1793 29.232 32.046 58.485 0.00 0.00 +ATOM 7466 H1 WAT X1793 29.595 32.806 58.031 0.00 0.00 +ATOM 7467 H2 WAT X1793 28.283 32.158 58.419 0.00 0.00 +ATOM 7468 O WAT X1794 36.630 6.445 42.517 0.00 0.00 +ATOM 7469 H1 WAT X1794 37.573 6.558 42.401 0.00 0.00 +ATOM 7470 H2 WAT X1794 36.358 7.208 43.026 0.00 0.00 +ATOM 7471 O WAT X1795 18.812 44.670 57.908 0.00 0.00 +ATOM 7472 H1 WAT X1795 18.139 45.350 57.870 0.00 0.00 +ATOM 7473 H2 WAT X1795 18.736 44.211 57.071 0.00 0.00 +ATOM 7474 O WAT X1796 73.382 53.241 57.075 0.00 0.00 +ATOM 7475 H1 WAT X1796 73.752 52.557 56.516 0.00 0.00 +ATOM 7476 H2 WAT X1796 72.448 53.035 57.119 0.00 0.00 +ATOM 7477 O WAT X1797 71.895 0.571 24.246 0.00 0.00 +ATOM 7478 H1 WAT X1797 72.611 0.029 23.916 0.00 0.00 +ATOM 7479 H2 WAT X1797 72.326 1.357 24.583 0.00 0.00 +ATOM 7480 O WAT X1798 38.639 40.748 37.752 0.00 0.00 +ATOM 7481 H1 WAT X1798 38.986 40.421 38.582 0.00 0.00 +ATOM 7482 H2 WAT X1798 38.804 41.690 37.778 0.00 0.00 +ATOM 7483 O WAT X1799 58.749 39.717 15.867 0.00 0.00 +ATOM 7484 H1 WAT X1799 59.134 40.515 15.505 0.00 0.00 +ATOM 7485 H2 WAT X1799 58.695 39.117 15.123 0.00 0.00 +ATOM 7486 O WAT X1800 52.500 47.042 50.219 0.00 0.00 +ATOM 7487 H1 WAT X1800 52.634 47.608 50.979 0.00 0.00 +ATOM 7488 H2 WAT X1800 53.259 47.208 49.660 0.00 0.00 +ATOM 7489 O WAT X1801 30.309 1.366 20.050 0.00 0.00 +ATOM 7490 H1 WAT X1801 30.153 0.877 19.242 0.00 0.00 +ATOM 7491 H2 WAT X1801 29.960 2.240 19.872 0.00 0.00 +ATOM 7492 O WAT X1802 40.265 37.024 12.528 0.00 0.00 +ATOM 7493 H1 WAT X1802 39.469 37.556 12.519 0.00 0.00 +ATOM 7494 H2 WAT X1802 40.720 37.288 13.327 0.00 0.00 +ATOM 7495 O WAT X1803 9.221 31.815 35.660 0.00 0.00 +ATOM 7496 H1 WAT X1803 8.303 31.755 35.925 0.00 0.00 +ATOM 7497 H2 WAT X1803 9.681 32.091 36.452 0.00 0.00 +ATOM 7498 O WAT X1804 65.176 10.304 24.418 0.00 0.00 +ATOM 7499 H1 WAT X1804 64.981 10.421 25.348 0.00 0.00 +ATOM 7500 H2 WAT X1804 64.964 9.387 24.243 0.00 0.00 +ATOM 7501 O WAT X1805 52.928 17.554 53.287 0.00 0.00 +ATOM 7502 H1 WAT X1805 53.875 17.434 53.369 0.00 0.00 +ATOM 7503 H2 WAT X1805 52.674 16.968 52.574 0.00 0.00 +ATOM 7504 O WAT X1806 67.329 6.785 6.777 0.00 0.00 +ATOM 7505 H1 WAT X1806 66.450 7.094 6.993 0.00 0.00 +ATOM 7506 H2 WAT X1806 67.905 7.508 7.023 0.00 0.00 +ATOM 7507 O WAT X1807 26.591 48.310 46.024 0.00 0.00 +ATOM 7508 H1 WAT X1807 25.898 48.912 46.295 0.00 0.00 +ATOM 7509 H2 WAT X1807 26.518 48.275 45.070 0.00 0.00 +ATOM 7510 O WAT X1808 2.897 35.602 11.928 0.00 0.00 +ATOM 7511 H1 WAT X1808 1.947 35.512 11.857 0.00 0.00 +ATOM 7512 H2 WAT X1808 3.138 36.178 11.203 0.00 0.00 +ATOM 7513 O WAT X1809 49.863 34.968 3.497 0.00 0.00 +ATOM 7514 H1 WAT X1809 49.577 35.635 4.121 0.00 0.00 +ATOM 7515 H2 WAT X1809 50.087 35.459 2.706 0.00 0.00 +ATOM 7516 O WAT X1810 70.550 35.698 26.433 0.00 0.00 +ATOM 7517 H1 WAT X1810 71.415 35.309 26.560 0.00 0.00 +ATOM 7518 H2 WAT X1810 70.644 36.237 25.647 0.00 0.00 +ATOM 7519 O WAT X1811 37.907 29.918 9.239 0.00 0.00 +ATOM 7520 H1 WAT X1811 37.366 29.984 8.452 0.00 0.00 +ATOM 7521 H2 WAT X1811 38.199 30.814 9.405 0.00 0.00 +ATOM 7522 O WAT X1812 8.743 57.857 40.141 0.00 0.00 +ATOM 7523 H1 WAT X1812 9.558 58.050 40.603 0.00 0.00 +ATOM 7524 H2 WAT X1812 8.358 58.716 39.965 0.00 0.00 +ATOM 7525 O WAT X1813 75.144 54.800 8.791 0.00 0.00 +ATOM 7526 H1 WAT X1813 75.843 54.870 8.141 0.00 0.00 +ATOM 7527 H2 WAT X1813 74.500 54.218 8.389 0.00 0.00 +ATOM 7528 O WAT X1814 2.904 28.972 46.804 0.00 0.00 +ATOM 7529 H1 WAT X1814 1.961 29.099 46.704 0.00 0.00 +ATOM 7530 H2 WAT X1814 3.135 28.343 46.121 0.00 0.00 +ATOM 7531 O WAT X1815 75.345 39.996 28.458 0.00 0.00 +ATOM 7532 H1 WAT X1815 75.705 39.126 28.629 0.00 0.00 +ATOM 7533 H2 WAT X1815 76.087 40.589 28.571 0.00 0.00 +ATOM 7534 O WAT X1816 49.110 40.436 7.115 0.00 0.00 +ATOM 7535 H1 WAT X1816 48.243 40.665 6.781 0.00 0.00 +ATOM 7536 H2 WAT X1816 48.951 39.710 7.718 0.00 0.00 +ATOM 7537 O WAT X1817 53.878 0.799 13.311 0.00 0.00 +ATOM 7538 H1 WAT X1817 54.122 0.388 12.482 0.00 0.00 +ATOM 7539 H2 WAT X1817 54.353 1.630 13.315 0.00 0.00 +ATOM 7540 O WAT X1818 35.929 55.698 17.043 0.00 0.00 +ATOM 7541 H1 WAT X1818 36.313 56.407 16.528 0.00 0.00 +ATOM 7542 H2 WAT X1818 35.905 54.952 16.444 0.00 0.00 +ATOM 7543 O WAT X1819 66.345 33.039 3.065 0.00 0.00 +ATOM 7544 H1 WAT X1819 67.244 33.355 2.981 0.00 0.00 +ATOM 7545 H2 WAT X1819 66.392 32.114 2.822 0.00 0.00 +ATOM 7546 O WAT X1820 34.327 33.198 -0.264 0.00 0.00 +ATOM 7547 H1 WAT X1820 33.893 33.510 0.530 0.00 0.00 +ATOM 7548 H2 WAT X1820 34.824 32.431 0.020 0.00 0.00 +ATOM 7549 O WAT X1821 44.995 62.098 41.063 0.00 0.00 +ATOM 7550 H1 WAT X1821 45.551 61.413 41.436 0.00 0.00 +ATOM 7551 H2 WAT X1821 44.812 62.684 41.798 0.00 0.00 +ATOM 7552 O WAT X1822 45.238 50.648 25.628 0.00 0.00 +ATOM 7553 H1 WAT X1822 45.944 51.211 25.946 0.00 0.00 +ATOM 7554 H2 WAT X1822 44.910 51.095 24.847 0.00 0.00 +ATOM 7555 O WAT X1823 73.467 36.112 6.233 0.00 0.00 +ATOM 7556 H1 WAT X1823 74.184 36.746 6.263 0.00 0.00 +ATOM 7557 H2 WAT X1823 73.235 35.969 7.150 0.00 0.00 +ATOM 7558 O WAT X1824 38.506 9.593 55.621 0.00 0.00 +ATOM 7559 H1 WAT X1824 39.085 9.633 56.382 0.00 0.00 +ATOM 7560 H2 WAT X1824 37.695 10.007 55.914 0.00 0.00 +ATOM 7561 O WAT X1825 57.852 9.662 58.270 0.00 0.00 +ATOM 7562 H1 WAT X1825 57.907 10.038 59.148 0.00 0.00 +ATOM 7563 H2 WAT X1825 57.246 10.236 57.801 0.00 0.00 +ATOM 7564 O WAT X1826 72.332 52.785 38.674 0.00 0.00 +ATOM 7565 H1 WAT X1826 72.201 52.395 37.810 0.00 0.00 +ATOM 7566 H2 WAT X1826 71.655 53.459 38.737 0.00 0.00 +ATOM 7567 O WAT X1827 36.311 53.763 21.205 0.00 0.00 +ATOM 7568 H1 WAT X1827 35.969 53.001 21.671 0.00 0.00 +ATOM 7569 H2 WAT X1827 36.772 54.267 21.876 0.00 0.00 +ATOM 7570 O WAT X1828 62.029 1.739 6.810 0.00 0.00 +ATOM 7571 H1 WAT X1828 62.662 1.022 6.832 0.00 0.00 +ATOM 7572 H2 WAT X1828 61.786 1.872 7.726 0.00 0.00 +ATOM 7573 O WAT X1829 47.463 14.479 36.300 0.00 0.00 +ATOM 7574 H1 WAT X1829 46.548 14.204 36.345 0.00 0.00 +ATOM 7575 H2 WAT X1829 47.509 15.030 35.518 0.00 0.00 +ATOM 7576 O WAT X1830 45.560 0.934 30.412 0.00 0.00 +ATOM 7577 H1 WAT X1830 46.459 0.605 30.434 0.00 0.00 +ATOM 7578 H2 WAT X1830 45.019 0.164 30.588 0.00 0.00 +ATOM 7579 O WAT X1831 2.587 15.759 31.626 0.00 0.00 +ATOM 7580 H1 WAT X1831 2.900 15.328 32.421 0.00 0.00 +ATOM 7581 H2 WAT X1831 2.909 15.208 30.913 0.00 0.00 +ATOM 7582 O WAT X1832 61.501 52.645 17.390 0.00 0.00 +ATOM 7583 H1 WAT X1832 61.490 52.318 18.290 0.00 0.00 +ATOM 7584 H2 WAT X1832 62.427 52.802 17.204 0.00 0.00 +ATOM 7585 O WAT X1833 40.930 16.425 0.270 0.00 0.00 +ATOM 7586 H1 WAT X1833 41.512 16.176 0.988 0.00 0.00 +ATOM 7587 H2 WAT X1833 40.101 16.641 0.698 0.00 0.00 +ATOM 7588 O WAT X1834 63.028 43.742 20.320 0.00 0.00 +ATOM 7589 H1 WAT X1834 62.599 44.047 21.120 0.00 0.00 +ATOM 7590 H2 WAT X1834 63.739 44.365 20.177 0.00 0.00 +ATOM 7591 O WAT X1835 73.172 48.569 12.014 0.00 0.00 +ATOM 7592 H1 WAT X1835 73.324 49.511 11.938 0.00 0.00 +ATOM 7593 H2 WAT X1835 73.085 48.416 12.955 0.00 0.00 +ATOM 7594 O WAT X1836 75.427 13.205 28.312 0.00 0.00 +ATOM 7595 H1 WAT X1836 76.214 12.931 28.783 0.00 0.00 +ATOM 7596 H2 WAT X1836 75.726 13.366 27.418 0.00 0.00 +ATOM 7597 O WAT X1837 65.335 42.724 16.569 0.00 0.00 +ATOM 7598 H1 WAT X1837 66.015 42.656 15.900 0.00 0.00 +ATOM 7599 H2 WAT X1837 65.284 41.847 16.949 0.00 0.00 +ATOM 7600 O WAT X1838 75.390 7.999 43.806 0.00 0.00 +ATOM 7601 H1 WAT X1838 74.689 8.514 43.407 0.00 0.00 +ATOM 7602 H2 WAT X1838 76.169 8.550 43.724 0.00 0.00 +ATOM 7603 O WAT X1839 74.069 26.718 5.200 0.00 0.00 +ATOM 7604 H1 WAT X1839 73.573 27.234 5.836 0.00 0.00 +ATOM 7605 H2 WAT X1839 73.461 26.584 4.473 0.00 0.00 +ATOM 7606 O WAT X1840 19.147 59.270 23.317 0.00 0.00 +ATOM 7607 H1 WAT X1840 18.664 59.386 24.136 0.00 0.00 +ATOM 7608 H2 WAT X1840 18.916 60.037 22.793 0.00 0.00 +ATOM 7609 O WAT X1841 46.834 57.152 23.784 0.00 0.00 +ATOM 7610 H1 WAT X1841 47.485 57.665 24.263 0.00 0.00 +ATOM 7611 H2 WAT X1841 46.005 57.347 24.223 0.00 0.00 +ATOM 7612 O WAT X1842 18.255 22.665 37.203 0.00 0.00 +ATOM 7613 H1 WAT X1842 18.355 23.154 38.020 0.00 0.00 +ATOM 7614 H2 WAT X1842 17.311 22.528 37.119 0.00 0.00 +ATOM 7615 O WAT X1843 21.542 50.710 21.849 0.00 0.00 +ATOM 7616 H1 WAT X1843 20.624 50.965 21.758 0.00 0.00 +ATOM 7617 H2 WAT X1843 22.029 51.411 21.417 0.00 0.00 +ATOM 7618 O WAT X1844 71.767 0.725 43.374 0.00 0.00 +ATOM 7619 H1 WAT X1844 72.708 0.584 43.274 0.00 0.00 +ATOM 7620 H2 WAT X1844 71.665 1.677 43.361 0.00 0.00 +ATOM 7621 O WAT X1845 26.412 14.768 39.667 0.00 0.00 +ATOM 7622 H1 WAT X1845 26.015 15.602 39.417 0.00 0.00 +ATOM 7623 H2 WAT X1845 25.790 14.382 40.283 0.00 0.00 +ATOM 7624 O WAT X1846 55.196 14.529 15.880 0.00 0.00 +ATOM 7625 H1 WAT X1846 54.899 15.403 15.627 0.00 0.00 +ATOM 7626 H2 WAT X1846 54.796 13.944 15.236 0.00 0.00 +ATOM 7627 O WAT X1847 50.460 61.118 5.340 0.00 0.00 +ATOM 7628 H1 WAT X1847 50.036 61.850 4.893 0.00 0.00 +ATOM 7629 H2 WAT X1847 49.796 60.429 5.356 0.00 0.00 +ATOM 7630 O WAT X1848 1.523 51.619 47.089 0.00 0.00 +ATOM 7631 H1 WAT X1848 1.520 51.183 47.941 0.00 0.00 +ATOM 7632 H2 WAT X1848 1.149 52.483 47.261 0.00 0.00 +ATOM 7633 O WAT X1849 32.301 42.551 12.767 0.00 0.00 +ATOM 7634 H1 WAT X1849 33.074 42.220 12.310 0.00 0.00 +ATOM 7635 H2 WAT X1849 31.965 43.243 12.198 0.00 0.00 +ATOM 7636 O WAT X1850 3.376 5.065 57.036 0.00 0.00 +ATOM 7637 H1 WAT X1850 2.550 4.943 56.569 0.00 0.00 +ATOM 7638 H2 WAT X1850 3.147 4.957 57.960 0.00 0.00 +ATOM 7639 O WAT X1851 49.933 19.552 4.641 0.00 0.00 +ATOM 7640 H1 WAT X1851 49.137 19.045 4.478 0.00 0.00 +ATOM 7641 H2 WAT X1851 50.302 19.170 5.437 0.00 0.00 +ATOM 7642 O WAT X1852 37.202 50.178 24.724 0.00 0.00 +ATOM 7643 H1 WAT X1852 38.042 50.603 24.893 0.00 0.00 +ATOM 7644 H2 WAT X1852 36.549 50.812 25.020 0.00 0.00 +ATOM 7645 O WAT X1853 -0.024 16.341 19.157 0.00 0.00 +ATOM 7646 H1 WAT X1853 0.690 16.974 19.082 0.00 0.00 +ATOM 7647 H2 WAT X1853 0.397 15.539 19.466 0.00 0.00 +ATOM 7648 O WAT X1854 13.956 62.487 1.822 0.00 0.00 +ATOM 7649 H1 WAT X1854 13.090 62.761 2.124 0.00 0.00 +ATOM 7650 H2 WAT X1854 13.979 61.544 1.984 0.00 0.00 +ATOM 7651 O WAT X1855 29.466 49.800 21.286 0.00 0.00 +ATOM 7652 H1 WAT X1855 29.725 50.630 20.885 0.00 0.00 +ATOM 7653 H2 WAT X1855 29.672 49.140 20.624 0.00 0.00 +ATOM 7654 O WAT X1856 54.570 58.486 41.552 0.00 0.00 +ATOM 7655 H1 WAT X1856 54.394 59.068 42.291 0.00 0.00 +ATOM 7656 H2 WAT X1856 55.298 57.938 41.848 0.00 0.00 +ATOM 7657 O WAT X1857 73.086 18.531 10.847 0.00 0.00 +ATOM 7658 H1 WAT X1857 72.165 18.289 10.941 0.00 0.00 +ATOM 7659 H2 WAT X1857 73.496 18.238 11.661 0.00 0.00 +ATOM 7660 O WAT X1858 31.459 3.966 0.415 0.00 0.00 +ATOM 7661 H1 WAT X1858 31.322 4.913 0.449 0.00 0.00 +ATOM 7662 H2 WAT X1858 32.389 3.866 0.214 0.00 0.00 +ATOM 7663 O WAT X1859 10.557 37.417 42.313 0.00 0.00 +ATOM 7664 H1 WAT X1859 11.273 37.237 41.704 0.00 0.00 +ATOM 7665 H2 WAT X1859 10.012 38.060 41.858 0.00 0.00 +ATOM 7666 O WAT X1860 70.423 41.611 57.408 0.00 0.00 +ATOM 7667 H1 WAT X1860 70.632 40.840 56.882 0.00 0.00 +ATOM 7668 H2 WAT X1860 69.727 42.053 56.921 0.00 0.00 +ATOM 7669 O WAT X1861 3.026 45.210 21.090 0.00 0.00 +ATOM 7670 H1 WAT X1861 2.127 44.889 21.162 0.00 0.00 +ATOM 7671 H2 WAT X1861 3.507 44.731 21.764 0.00 0.00 +ATOM 7672 O WAT X1862 30.963 13.976 15.772 0.00 0.00 +ATOM 7673 H1 WAT X1862 31.371 14.450 16.497 0.00 0.00 +ATOM 7674 H2 WAT X1862 31.527 13.215 15.636 0.00 0.00 +ATOM 7675 O WAT X1863 25.770 1.879 36.544 0.00 0.00 +ATOM 7676 H1 WAT X1863 24.818 1.976 36.573 0.00 0.00 +ATOM 7677 H2 WAT X1863 26.094 2.507 37.190 0.00 0.00 +ATOM 7678 O WAT X1864 3.265 41.685 54.779 0.00 0.00 +ATOM 7679 H1 WAT X1864 3.179 42.213 53.984 0.00 0.00 +ATOM 7680 H2 WAT X1864 4.061 42.013 55.198 0.00 0.00 +ATOM 7681 O WAT X1865 19.650 49.280 25.544 0.00 0.00 +ATOM 7682 H1 WAT X1865 18.803 49.122 25.127 0.00 0.00 +ATOM 7683 H2 WAT X1865 19.643 50.215 25.752 0.00 0.00 +ATOM 7684 O WAT X1866 56.156 7.084 6.925 0.00 0.00 +ATOM 7685 H1 WAT X1866 56.291 6.713 7.797 0.00 0.00 +ATOM 7686 H2 WAT X1866 56.141 6.326 6.342 0.00 0.00 +ATOM 7687 O WAT X1867 38.233 18.401 32.598 0.00 0.00 +ATOM 7688 H1 WAT X1867 37.325 18.700 32.547 0.00 0.00 +ATOM 7689 H2 WAT X1867 38.593 18.859 33.358 0.00 0.00 +ATOM 7690 O WAT X1868 38.987 25.230 14.400 0.00 0.00 +ATOM 7691 H1 WAT X1868 38.085 25.163 14.714 0.00 0.00 +ATOM 7692 H2 WAT X1868 39.409 25.834 15.012 0.00 0.00 +ATOM 7693 O WAT X1869 34.823 53.904 45.305 0.00 0.00 +ATOM 7694 H1 WAT X1869 35.774 53.890 45.408 0.00 0.00 +ATOM 7695 H2 WAT X1869 34.680 53.715 44.378 0.00 0.00 +ATOM 7696 O WAT X1870 29.036 2.513 25.859 0.00 0.00 +ATOM 7697 H1 WAT X1870 28.101 2.329 25.765 0.00 0.00 +ATOM 7698 H2 WAT X1870 29.129 2.830 26.757 0.00 0.00 +ATOM 7699 O WAT X1871 8.774 23.380 36.244 0.00 0.00 +ATOM 7700 H1 WAT X1871 9.702 23.551 36.401 0.00 0.00 +ATOM 7701 H2 WAT X1871 8.717 22.428 36.161 0.00 0.00 +ATOM 7702 O WAT X1872 9.907 19.600 37.141 0.00 0.00 +ATOM 7703 H1 WAT X1872 9.480 19.007 37.759 0.00 0.00 +ATOM 7704 H2 WAT X1872 10.834 19.566 37.379 0.00 0.00 +ATOM 7705 O WAT X1873 46.475 44.749 19.658 0.00 0.00 +ATOM 7706 H1 WAT X1873 46.938 44.998 20.459 0.00 0.00 +ATOM 7707 H2 WAT X1873 47.092 44.185 19.191 0.00 0.00 +ATOM 7708 O WAT X1874 24.464 50.635 31.937 0.00 0.00 +ATOM 7709 H1 WAT X1874 25.077 50.203 31.341 0.00 0.00 +ATOM 7710 H2 WAT X1874 24.818 51.518 32.046 0.00 0.00 +ATOM 7711 O WAT X1875 34.011 53.320 12.386 0.00 0.00 +ATOM 7712 H1 WAT X1875 33.421 53.738 13.014 0.00 0.00 +ATOM 7713 H2 WAT X1875 34.607 54.018 12.116 0.00 0.00 +ATOM 7714 O WAT X1876 14.526 33.127 28.177 0.00 0.00 +ATOM 7715 H1 WAT X1876 13.964 33.838 28.484 0.00 0.00 +ATOM 7716 H2 WAT X1876 13.917 32.430 27.931 0.00 0.00 +ATOM 7717 O WAT X1877 63.766 12.066 8.865 0.00 0.00 +ATOM 7718 H1 WAT X1877 64.424 11.378 8.964 0.00 0.00 +ATOM 7719 H2 WAT X1877 63.492 12.005 7.950 0.00 0.00 +ATOM 7720 O WAT X1878 39.157 55.549 37.590 0.00 0.00 +ATOM 7721 H1 WAT X1878 38.439 55.899 38.117 0.00 0.00 +ATOM 7722 H2 WAT X1878 39.794 56.262 37.548 0.00 0.00 +ATOM 7723 O WAT X1879 21.199 49.911 1.999 0.00 0.00 +ATOM 7724 H1 WAT X1879 21.713 49.387 1.385 0.00 0.00 +ATOM 7725 H2 WAT X1879 20.481 50.262 1.471 0.00 0.00 +ATOM 7726 O WAT X1880 18.205 22.421 12.826 0.00 0.00 +ATOM 7727 H1 WAT X1880 17.795 21.568 12.688 0.00 0.00 +ATOM 7728 H2 WAT X1880 17.960 22.932 12.055 0.00 0.00 +ATOM 7729 O WAT X1881 10.418 26.317 50.882 0.00 0.00 +ATOM 7730 H1 WAT X1881 11.003 27.068 50.986 0.00 0.00 +ATOM 7731 H2 WAT X1881 9.550 26.704 50.765 0.00 0.00 +ATOM 7732 O WAT X1882 63.060 8.174 36.166 0.00 0.00 +ATOM 7733 H1 WAT X1882 62.556 7.718 36.840 0.00 0.00 +ATOM 7734 H2 WAT X1882 63.895 8.376 36.588 0.00 0.00 +ATOM 7735 O WAT X1883 37.546 46.565 58.184 0.00 0.00 +ATOM 7736 H1 WAT X1883 38.233 45.973 58.491 0.00 0.00 +ATOM 7737 H2 WAT X1883 36.861 45.984 57.851 0.00 0.00 +ATOM 7738 O WAT X1884 72.313 56.514 28.562 0.00 0.00 +ATOM 7739 H1 WAT X1884 72.097 56.861 29.428 0.00 0.00 +ATOM 7740 H2 WAT X1884 72.751 57.238 28.116 0.00 0.00 +ATOM 7741 O WAT X1885 56.029 50.151 3.561 0.00 0.00 +ATOM 7742 H1 WAT X1885 55.522 50.340 4.350 0.00 0.00 +ATOM 7743 H2 WAT X1885 56.606 50.908 3.460 0.00 0.00 +ATOM 7744 O WAT X1886 40.518 27.939 57.819 0.00 0.00 +ATOM 7745 H1 WAT X1886 41.126 28.302 57.176 0.00 0.00 +ATOM 7746 H2 WAT X1886 41.056 27.358 58.357 0.00 0.00 +ATOM 7747 O WAT X1887 61.395 57.935 2.387 0.00 0.00 +ATOM 7748 H1 WAT X1887 61.583 57.356 1.649 0.00 0.00 +ATOM 7749 H2 WAT X1887 62.065 58.616 2.335 0.00 0.00 +ATOM 7750 O WAT X1888 46.235 41.489 17.994 0.00 0.00 +ATOM 7751 H1 WAT X1888 46.341 40.923 17.229 0.00 0.00 +ATOM 7752 H2 WAT X1888 45.744 42.243 17.668 0.00 0.00 +ATOM 7753 O WAT X1889 34.958 43.068 3.164 0.00 0.00 +ATOM 7754 H1 WAT X1889 34.347 42.347 3.008 0.00 0.00 +ATOM 7755 H2 WAT X1889 35.300 42.906 4.043 0.00 0.00 +ATOM 7756 O WAT X1890 21.583 17.594 10.062 0.00 0.00 +ATOM 7757 H1 WAT X1890 21.915 17.737 9.175 0.00 0.00 +ATOM 7758 H2 WAT X1890 21.223 16.707 10.042 0.00 0.00 +ATOM 7759 O WAT X1891 74.451 41.625 37.148 0.00 0.00 +ATOM 7760 H1 WAT X1891 75.111 41.356 36.509 0.00 0.00 +ATOM 7761 H2 WAT X1891 74.916 42.220 37.737 0.00 0.00 +ATOM 7762 O WAT X1892 32.584 61.068 13.102 0.00 0.00 +ATOM 7763 H1 WAT X1892 32.057 60.522 13.685 0.00 0.00 +ATOM 7764 H2 WAT X1892 32.142 61.917 13.104 0.00 0.00 +ATOM 7765 O WAT X1893 32.377 42.950 2.059 0.00 0.00 +ATOM 7766 H1 WAT X1893 32.281 42.457 1.244 0.00 0.00 +ATOM 7767 H2 WAT X1893 31.937 42.411 2.717 0.00 0.00 +ATOM 7768 O WAT X1894 6.145 55.504 22.014 0.00 0.00 +ATOM 7769 H1 WAT X1894 6.645 56.084 22.588 0.00 0.00 +ATOM 7770 H2 WAT X1894 5.287 55.923 21.939 0.00 0.00 +ATOM 7771 O WAT X1895 55.936 27.410 23.364 0.00 0.00 +ATOM 7772 H1 WAT X1895 56.831 27.162 23.130 0.00 0.00 +ATOM 7773 H2 WAT X1895 55.474 26.577 23.461 0.00 0.00 +ATOM 7774 O WAT X1896 67.003 59.157 45.187 0.00 0.00 +ATOM 7775 H1 WAT X1896 67.455 58.364 44.899 0.00 0.00 +ATOM 7776 H2 WAT X1896 67.675 59.664 45.642 0.00 0.00 +ATOM 7777 O WAT X1897 30.172 35.372 2.057 0.00 0.00 +ATOM 7778 H1 WAT X1897 29.598 36.133 2.148 0.00 0.00 +ATOM 7779 H2 WAT X1897 29.623 34.628 2.303 0.00 0.00 +ATOM 7780 O WAT X1898 52.372 50.732 43.270 0.00 0.00 +ATOM 7781 H1 WAT X1898 53.279 50.429 43.327 0.00 0.00 +ATOM 7782 H2 WAT X1898 51.944 50.100 42.693 0.00 0.00 +ATOM 7783 O WAT X1899 37.154 43.962 40.751 0.00 0.00 +ATOM 7784 H1 WAT X1899 36.349 44.344 41.101 0.00 0.00 +ATOM 7785 H2 WAT X1899 37.804 44.660 40.826 0.00 0.00 +ATOM 7786 O WAT X1900 21.141 52.614 28.331 0.00 0.00 +ATOM 7787 H1 WAT X1900 20.755 53.262 28.921 0.00 0.00 +ATOM 7788 H2 WAT X1900 22.000 52.427 28.711 0.00 0.00 +ATOM 7789 O WAT X1901 56.153 45.802 21.099 0.00 0.00 +ATOM 7790 H1 WAT X1901 56.088 44.980 21.585 0.00 0.00 +ATOM 7791 H2 WAT X1901 56.025 46.482 21.760 0.00 0.00 +ATOM 7792 O WAT X1902 8.958 39.304 52.566 0.00 0.00 +ATOM 7793 H1 WAT X1902 8.669 38.647 53.200 0.00 0.00 +ATOM 7794 H2 WAT X1902 9.764 39.659 52.939 0.00 0.00 +ATOM 7795 O WAT X1903 48.707 45.988 35.795 0.00 0.00 +ATOM 7796 H1 WAT X1903 48.098 46.634 36.153 0.00 0.00 +ATOM 7797 H2 WAT X1903 48.198 45.521 35.132 0.00 0.00 +ATOM 7798 O WAT X1904 25.229 45.794 44.361 0.00 0.00 +ATOM 7799 H1 WAT X1904 24.661 45.137 44.763 0.00 0.00 +ATOM 7800 H2 WAT X1904 24.779 46.625 44.514 0.00 0.00 +ATOM 7801 O WAT X1905 67.677 36.800 34.111 0.00 0.00 +ATOM 7802 H1 WAT X1905 68.009 37.235 33.325 0.00 0.00 +ATOM 7803 H2 WAT X1905 67.849 37.421 34.819 0.00 0.00 +ATOM 7804 O WAT X1906 72.105 4.535 3.880 0.00 0.00 +ATOM 7805 H1 WAT X1906 72.857 5.121 3.795 0.00 0.00 +ATOM 7806 H2 WAT X1906 72.367 3.904 4.550 0.00 0.00 +ATOM 7807 O WAT X1907 29.633 52.317 53.421 0.00 0.00 +ATOM 7808 H1 WAT X1907 29.531 52.566 52.502 0.00 0.00 +ATOM 7809 H2 WAT X1907 28.759 52.425 53.797 0.00 0.00 +ATOM 7810 O WAT X1908 25.623 57.271 27.667 0.00 0.00 +ATOM 7811 H1 WAT X1908 25.968 56.635 27.040 0.00 0.00 +ATOM 7812 H2 WAT X1908 25.917 58.119 27.335 0.00 0.00 +ATOM 7813 O WAT X1909 54.006 43.083 26.552 0.00 0.00 +ATOM 7814 H1 WAT X1909 53.853 42.415 27.221 0.00 0.00 +ATOM 7815 H2 WAT X1909 53.905 43.914 27.016 0.00 0.00 +ATOM 7816 O WAT X1910 19.623 7.430 45.279 0.00 0.00 +ATOM 7817 H1 WAT X1910 20.379 7.470 44.694 0.00 0.00 +ATOM 7818 H2 WAT X1910 19.641 6.540 45.633 0.00 0.00 +ATOM 7819 O WAT X1911 60.499 21.616 15.999 0.00 0.00 +ATOM 7820 H1 WAT X1911 60.041 22.392 15.675 0.00 0.00 +ATOM 7821 H2 WAT X1911 60.186 21.511 16.897 0.00 0.00 +ATOM 7822 O WAT X1912 15.493 2.201 24.824 0.00 0.00 +ATOM 7823 H1 WAT X1912 16.196 1.583 25.025 0.00 0.00 +ATOM 7824 H2 WAT X1912 15.044 2.333 25.659 0.00 0.00 +ATOM 7825 O WAT X1913 46.710 3.529 57.286 0.00 0.00 +ATOM 7826 H1 WAT X1913 46.776 4.338 56.778 0.00 0.00 +ATOM 7827 H2 WAT X1913 47.576 3.422 57.679 0.00 0.00 +ATOM 7828 O WAT X1914 43.910 59.602 8.805 0.00 0.00 +ATOM 7829 H1 WAT X1914 44.459 60.351 9.037 0.00 0.00 +ATOM 7830 H2 WAT X1914 44.432 59.110 8.170 0.00 0.00 +ATOM 7831 O WAT X1915 17.519 12.985 21.182 0.00 0.00 +ATOM 7832 H1 WAT X1915 18.184 13.673 21.176 0.00 0.00 +ATOM 7833 H2 WAT X1915 17.629 12.539 20.342 0.00 0.00 +ATOM 7834 O WAT X1916 63.778 42.844 13.479 0.00 0.00 +ATOM 7835 H1 WAT X1916 64.255 43.667 13.586 0.00 0.00 +ATOM 7836 H2 WAT X1916 63.223 42.986 12.713 0.00 0.00 +ATOM 7837 O WAT X1917 52.199 35.412 48.368 0.00 0.00 +ATOM 7838 H1 WAT X1917 51.879 36.236 48.000 0.00 0.00 +ATOM 7839 H2 WAT X1917 51.960 34.751 47.718 0.00 0.00 +ATOM 7840 O WAT X1918 24.254 8.165 52.701 0.00 0.00 +ATOM 7841 H1 WAT X1918 24.841 7.591 52.209 0.00 0.00 +ATOM 7842 H2 WAT X1918 23.401 7.734 52.652 0.00 0.00 +ATOM 7843 O WAT X1919 30.207 37.408 53.522 0.00 0.00 +ATOM 7844 H1 WAT X1919 29.300 37.478 53.822 0.00 0.00 +ATOM 7845 H2 WAT X1919 30.271 38.037 52.803 0.00 0.00 +ATOM 7846 O WAT X1920 71.526 8.451 39.055 0.00 0.00 +ATOM 7847 H1 WAT X1920 71.227 8.026 39.859 0.00 0.00 +ATOM 7848 H2 WAT X1920 71.981 7.761 38.574 0.00 0.00 +ATOM 7849 O WAT X1921 15.532 52.848 1.468 0.00 0.00 +ATOM 7850 H1 WAT X1921 16.382 53.043 1.074 0.00 0.00 +ATOM 7851 H2 WAT X1921 15.660 52.011 1.914 0.00 0.00 +ATOM 7852 O WAT X1922 39.862 18.302 17.292 0.00 0.00 +ATOM 7853 H1 WAT X1922 40.124 17.649 17.941 0.00 0.00 +ATOM 7854 H2 WAT X1922 40.556 18.960 17.322 0.00 0.00 +ATOM 7855 O WAT X1923 71.407 45.873 21.021 0.00 0.00 +ATOM 7856 H1 WAT X1923 72.233 46.350 20.945 0.00 0.00 +ATOM 7857 H2 WAT X1923 71.662 44.950 21.012 0.00 0.00 +ATOM 7858 O WAT X1924 45.143 43.524 52.621 0.00 0.00 +ATOM 7859 H1 WAT X1924 45.692 43.420 51.844 0.00 0.00 +ATOM 7860 H2 WAT X1924 44.256 43.623 52.276 0.00 0.00 +ATOM 7861 O WAT X1925 13.475 61.302 22.971 0.00 0.00 +ATOM 7862 H1 WAT X1925 13.177 62.104 22.542 0.00 0.00 +ATOM 7863 H2 WAT X1925 13.274 60.607 22.344 0.00 0.00 +ATOM 7864 O WAT X1926 32.628 14.132 17.957 0.00 0.00 +ATOM 7865 H1 WAT X1926 33.321 14.298 18.597 0.00 0.00 +ATOM 7866 H2 WAT X1926 32.723 13.205 17.737 0.00 0.00 +ATOM 7867 O WAT X1927 32.248 21.165 12.833 0.00 0.00 +ATOM 7868 H1 WAT X1927 32.245 22.112 12.694 0.00 0.00 +ATOM 7869 H2 WAT X1927 32.223 20.793 11.951 0.00 0.00 +ATOM 7870 O WAT X1928 9.389 12.926 41.848 0.00 0.00 +ATOM 7871 H1 WAT X1928 9.502 13.871 41.752 0.00 0.00 +ATOM 7872 H2 WAT X1928 9.950 12.692 42.588 0.00 0.00 +ATOM 7873 O WAT X1929 47.935 22.371 15.720 0.00 0.00 +ATOM 7874 H1 WAT X1929 47.791 22.483 16.660 0.00 0.00 +ATOM 7875 H2 WAT X1929 48.800 21.966 15.658 0.00 0.00 +ATOM 7876 O WAT X1930 72.446 41.349 10.530 0.00 0.00 +ATOM 7877 H1 WAT X1930 71.561 41.577 10.244 0.00 0.00 +ATOM 7878 H2 WAT X1930 73.021 41.824 9.931 0.00 0.00 +ATOM 7879 O WAT X1931 42.856 53.268 34.286 0.00 0.00 +ATOM 7880 H1 WAT X1931 42.277 53.929 33.905 0.00 0.00 +ATOM 7881 H2 WAT X1931 43.551 53.158 33.637 0.00 0.00 +ATOM 7882 O WAT X1932 5.733 3.109 29.327 0.00 0.00 +ATOM 7883 H1 WAT X1932 6.527 2.768 28.915 0.00 0.00 +ATOM 7884 H2 WAT X1932 5.294 2.334 29.677 0.00 0.00 +ATOM 7885 O WAT X1933 71.217 32.242 7.901 0.00 0.00 +ATOM 7886 H1 WAT X1933 72.007 31.938 7.454 0.00 0.00 +ATOM 7887 H2 WAT X1933 71.178 33.179 7.710 0.00 0.00 +ATOM 7888 O WAT X1934 36.051 8.673 43.866 0.00 0.00 +ATOM 7889 H1 WAT X1934 36.007 8.847 44.806 0.00 0.00 +ATOM 7890 H2 WAT X1934 35.518 9.363 43.470 0.00 0.00 +ATOM 7891 O WAT X1935 65.098 54.018 30.832 0.00 0.00 +ATOM 7892 H1 WAT X1935 64.509 54.764 30.950 0.00 0.00 +ATOM 7893 H2 WAT X1935 65.052 53.543 31.661 0.00 0.00 +ATOM 7894 O WAT X1936 50.198 4.639 13.687 0.00 0.00 +ATOM 7895 H1 WAT X1936 50.025 5.534 13.395 0.00 0.00 +ATOM 7896 H2 WAT X1936 49.570 4.104 13.202 0.00 0.00 +ATOM 7897 O WAT X1937 62.166 35.459 40.799 0.00 0.00 +ATOM 7898 H1 WAT X1937 61.987 35.812 39.927 0.00 0.00 +ATOM 7899 H2 WAT X1937 63.028 35.051 40.720 0.00 0.00 +ATOM 7900 O WAT X1938 68.181 53.366 27.939 0.00 0.00 +ATOM 7901 H1 WAT X1938 68.138 53.056 28.844 0.00 0.00 +ATOM 7902 H2 WAT X1938 69.015 53.833 27.886 0.00 0.00 +ATOM 7903 O WAT X1939 5.717 19.332 28.104 0.00 0.00 +ATOM 7904 H1 WAT X1939 4.802 19.612 28.131 0.00 0.00 +ATOM 7905 H2 WAT X1939 5.727 18.501 28.579 0.00 0.00 +ATOM 7906 O WAT X1940 15.600 48.564 57.915 0.00 0.00 +ATOM 7907 H1 WAT X1940 14.734 48.164 57.991 0.00 0.00 +ATOM 7908 H2 WAT X1940 15.425 49.502 57.841 0.00 0.00 +ATOM 7909 O WAT X1941 8.590 32.535 45.928 0.00 0.00 +ATOM 7910 H1 WAT X1941 7.979 33.244 46.130 0.00 0.00 +ATOM 7911 H2 WAT X1941 8.783 32.137 46.777 0.00 0.00 +ATOM 7912 O WAT X1942 72.282 51.901 3.178 0.00 0.00 +ATOM 7913 H1 WAT X1942 72.986 52.511 2.956 0.00 0.00 +ATOM 7914 H2 WAT X1942 72.732 51.083 3.389 0.00 0.00 +ATOM 7915 O WAT X1943 1.407 11.754 10.647 0.00 0.00 +ATOM 7916 H1 WAT X1943 1.539 12.107 11.527 0.00 0.00 +ATOM 7917 H2 WAT X1943 2.075 11.075 10.559 0.00 0.00 +ATOM 7918 O WAT X1944 77.292 54.642 3.953 0.00 0.00 +ATOM 7919 H1 WAT X1944 77.498 53.729 4.150 0.00 0.00 +ATOM 7920 H2 WAT X1944 76.798 54.605 3.134 0.00 0.00 +ATOM 7921 O WAT X1945 1.622 41.655 8.456 0.00 0.00 +ATOM 7922 H1 WAT X1945 2.409 41.948 8.916 0.00 0.00 +ATOM 7923 H2 WAT X1945 1.668 42.089 7.604 0.00 0.00 +ATOM 7924 O WAT X1946 76.112 9.533 10.078 0.00 0.00 +ATOM 7925 H1 WAT X1946 76.956 9.244 10.426 0.00 0.00 +ATOM 7926 H2 WAT X1946 75.938 8.940 9.348 0.00 0.00 +ATOM 7927 O WAT X1947 2.686 43.254 10.591 0.00 0.00 +ATOM 7928 H1 WAT X1947 3.490 42.963 10.161 0.00 0.00 +ATOM 7929 H2 WAT X1947 2.839 44.179 10.785 0.00 0.00 +ATOM 7930 O WAT X1948 35.174 18.592 29.279 0.00 0.00 +ATOM 7931 H1 WAT X1948 35.656 18.720 28.462 0.00 0.00 +ATOM 7932 H2 WAT X1948 34.323 18.251 29.003 0.00 0.00 +ATOM 7933 O WAT X1949 35.987 12.728 47.294 0.00 0.00 +ATOM 7934 H1 WAT X1949 36.098 13.141 48.150 0.00 0.00 +ATOM 7935 H2 WAT X1949 36.879 12.627 46.960 0.00 0.00 +ATOM 7936 O WAT X1950 54.958 10.657 32.515 0.00 0.00 +ATOM 7937 H1 WAT X1950 54.585 11.272 31.883 0.00 0.00 +ATOM 7938 H2 WAT X1950 55.802 10.408 32.137 0.00 0.00 +ATOM 7939 O WAT X1951 70.648 39.458 55.700 0.00 0.00 +ATOM 7940 H1 WAT X1951 70.049 39.736 55.007 0.00 0.00 +ATOM 7941 H2 WAT X1951 71.119 38.714 55.324 0.00 0.00 +ATOM 7942 O WAT X1952 28.491 47.946 38.237 0.00 0.00 +ATOM 7943 H1 WAT X1952 28.744 48.714 37.724 0.00 0.00 +ATOM 7944 H2 WAT X1952 29.315 47.613 38.591 0.00 0.00 +ATOM 7945 O WAT X1953 70.064 52.268 37.046 0.00 0.00 +ATOM 7946 H1 WAT X1953 70.117 51.442 37.526 0.00 0.00 +ATOM 7947 H2 WAT X1953 69.167 52.294 36.712 0.00 0.00 +ATOM 7948 O WAT X1954 12.696 35.152 28.653 0.00 0.00 +ATOM 7949 H1 WAT X1954 12.544 35.306 29.585 0.00 0.00 +ATOM 7950 H2 WAT X1954 12.414 35.962 28.227 0.00 0.00 +ATOM 7951 O WAT X1955 28.576 53.768 33.107 0.00 0.00 +ATOM 7952 H1 WAT X1955 28.308 52.851 33.044 0.00 0.00 +ATOM 7953 H2 WAT X1955 28.391 54.131 32.241 0.00 0.00 +ATOM 7954 O WAT X1956 11.490 2.134 55.142 0.00 0.00 +ATOM 7955 H1 WAT X1956 10.859 1.735 55.740 0.00 0.00 +ATOM 7956 H2 WAT X1956 11.314 3.073 55.198 0.00 0.00 +ATOM 7957 O WAT X1957 69.141 18.917 0.522 0.00 0.00 +ATOM 7958 H1 WAT X1957 69.871 18.837 -0.092 0.00 0.00 +ATOM 7959 H2 WAT X1957 68.401 18.511 0.069 0.00 0.00 +ATOM 7960 O WAT X1958 59.344 20.882 5.019 0.00 0.00 +ATOM 7961 H1 WAT X1958 58.772 20.889 4.251 0.00 0.00 +ATOM 7962 H2 WAT X1958 59.011 21.588 5.572 0.00 0.00 +ATOM 7963 O WAT X1959 49.637 5.806 27.989 0.00 0.00 +ATOM 7964 H1 WAT X1959 50.025 4.997 28.321 0.00 0.00 +ATOM 7965 H2 WAT X1959 49.550 6.365 28.761 0.00 0.00 +ATOM 7966 O WAT X1960 67.780 57.739 9.979 0.00 0.00 +ATOM 7967 H1 WAT X1960 68.234 58.559 10.172 0.00 0.00 +ATOM 7968 H2 WAT X1960 67.367 57.493 10.806 0.00 0.00 +ATOM 7969 O WAT X1961 63.776 6.062 50.008 0.00 0.00 +ATOM 7970 H1 WAT X1961 63.085 5.453 50.269 0.00 0.00 +ATOM 7971 H2 WAT X1961 63.332 6.907 49.928 0.00 0.00 +ATOM 7972 O WAT X1962 38.374 61.750 19.001 0.00 0.00 +ATOM 7973 H1 WAT X1962 38.853 62.577 19.050 0.00 0.00 +ATOM 7974 H2 WAT X1962 38.567 61.413 18.126 0.00 0.00 +ATOM 7975 O WAT X1963 24.330 60.973 43.948 0.00 0.00 +ATOM 7976 H1 WAT X1963 23.927 60.154 43.659 0.00 0.00 +ATOM 7977 H2 WAT X1963 25.240 60.739 44.132 0.00 0.00 +ATOM 7978 O WAT X1964 34.244 4.503 0.560 0.00 0.00 +ATOM 7979 H1 WAT X1964 33.764 5.115 1.118 0.00 0.00 +ATOM 7980 H2 WAT X1964 34.807 5.059 0.022 0.00 0.00 +ATOM 7981 O WAT X1965 19.180 0.844 48.697 0.00 0.00 +ATOM 7982 H1 WAT X1965 19.786 0.240 48.268 0.00 0.00 +ATOM 7983 H2 WAT X1965 19.728 1.343 49.303 0.00 0.00 +ATOM 7984 O WAT X1966 6.773 49.011 1.278 0.00 0.00 +ATOM 7985 H1 WAT X1966 7.692 49.111 1.030 0.00 0.00 +ATOM 7986 H2 WAT X1966 6.721 48.135 1.660 0.00 0.00 +ATOM 7987 O WAT X1967 39.485 15.933 11.910 0.00 0.00 +ATOM 7988 H1 WAT X1967 39.823 15.430 11.169 0.00 0.00 +ATOM 7989 H2 WAT X1967 38.879 16.561 11.517 0.00 0.00 +ATOM 7990 O WAT X1968 50.898 3.387 35.679 0.00 0.00 +ATOM 7991 H1 WAT X1968 51.743 3.559 35.264 0.00 0.00 +ATOM 7992 H2 WAT X1968 50.523 2.669 35.169 0.00 0.00 +ATOM 7993 O WAT X1969 1.459 25.962 55.953 0.00 0.00 +ATOM 7994 H1 WAT X1969 1.907 26.807 55.995 0.00 0.00 +ATOM 7995 H2 WAT X1969 0.528 26.183 55.993 0.00 0.00 +ATOM 7996 O WAT X1970 10.271 52.003 51.475 0.00 0.00 +ATOM 7997 H1 WAT X1970 9.680 51.455 51.992 0.00 0.00 +ATOM 7998 H2 WAT X1970 10.765 52.501 52.126 0.00 0.00 +ATOM 7999 O WAT X1971 8.134 27.194 41.287 0.00 0.00 +ATOM 8000 H1 WAT X1971 8.953 27.453 41.709 0.00 0.00 +ATOM 8001 H2 WAT X1971 7.987 27.863 40.619 0.00 0.00 +ATOM 8002 O WAT X1972 11.036 30.552 44.817 0.00 0.00 +ATOM 8003 H1 WAT X1972 11.437 30.969 44.054 0.00 0.00 +ATOM 8004 H2 WAT X1972 10.107 30.492 44.596 0.00 0.00 +ATOM 8005 O WAT X1973 23.881 63.152 11.740 0.00 0.00 +ATOM 8006 H1 WAT X1973 23.843 62.256 12.076 0.00 0.00 +ATOM 8007 H2 WAT X1973 24.325 63.647 12.427 0.00 0.00 +ATOM 8008 O WAT X1974 41.457 26.963 10.914 0.00 0.00 +ATOM 8009 H1 WAT X1974 40.710 27.561 10.903 0.00 0.00 +ATOM 8010 H2 WAT X1974 41.467 26.576 10.039 0.00 0.00 +ATOM 8011 O WAT X1975 14.154 49.849 42.830 0.00 0.00 +ATOM 8012 H1 WAT X1975 13.528 49.431 42.240 0.00 0.00 +ATOM 8013 H2 WAT X1975 14.527 49.127 43.336 0.00 0.00 +ATOM 8014 O WAT X1976 37.603 4.231 53.188 0.00 0.00 +ATOM 8015 H1 WAT X1976 37.009 4.175 53.937 0.00 0.00 +ATOM 8016 H2 WAT X1976 38.405 4.610 53.547 0.00 0.00 +ATOM 8017 O WAT X1977 38.290 38.600 50.287 0.00 0.00 +ATOM 8018 H1 WAT X1977 38.585 37.697 50.167 0.00 0.00 +ATOM 8019 H2 WAT X1977 37.602 38.541 50.950 0.00 0.00 +ATOM 8020 O WAT X1978 42.223 54.568 20.963 0.00 0.00 +ATOM 8021 H1 WAT X1978 43.167 54.651 21.099 0.00 0.00 +ATOM 8022 H2 WAT X1978 41.908 55.470 20.909 0.00 0.00 +ATOM 8023 O WAT X1979 31.838 42.140 47.518 0.00 0.00 +ATOM 8024 H1 WAT X1979 31.063 42.660 47.305 0.00 0.00 +ATOM 8025 H2 WAT X1979 32.547 42.555 47.027 0.00 0.00 +ATOM 8026 O WAT X1980 26.222 39.365 11.277 0.00 0.00 +ATOM 8027 H1 WAT X1980 26.478 40.089 10.706 0.00 0.00 +ATOM 8028 H2 WAT X1980 25.964 39.787 12.097 0.00 0.00 +ATOM 8029 O WAT X1981 9.586 16.209 56.831 0.00 0.00 +ATOM 8030 H1 WAT X1981 8.942 16.670 57.369 0.00 0.00 +ATOM 8031 H2 WAT X1981 9.067 15.783 56.149 0.00 0.00 +ATOM 8032 O WAT X1982 42.919 9.837 35.593 0.00 0.00 +ATOM 8033 H1 WAT X1982 42.687 10.757 35.719 0.00 0.00 +ATOM 8034 H2 WAT X1982 43.765 9.741 36.030 0.00 0.00 +ATOM 8035 O WAT X1983 2.875 48.573 9.923 0.00 0.00 +ATOM 8036 H1 WAT X1983 3.086 47.699 10.252 0.00 0.00 +ATOM 8037 H2 WAT X1983 3.531 49.144 10.324 0.00 0.00 +ATOM 8038 O WAT X1984 1.698 1.290 10.875 0.00 0.00 +ATOM 8039 H1 WAT X1984 0.770 1.266 10.643 0.00 0.00 +ATOM 8040 H2 WAT X1984 1.995 2.153 10.585 0.00 0.00 +ATOM 8041 O WAT X1985 30.506 20.072 14.535 0.00 0.00 +ATOM 8042 H1 WAT X1985 29.791 20.386 13.981 0.00 0.00 +ATOM 8043 H2 WAT X1985 31.287 20.155 13.989 0.00 0.00 +ATOM 8044 O WAT X1986 33.171 1.268 34.474 0.00 0.00 +ATOM 8045 H1 WAT X1986 32.805 0.393 34.344 0.00 0.00 +ATOM 8046 H2 WAT X1986 32.916 1.753 33.689 0.00 0.00 +ATOM 8047 O WAT X1987 70.154 10.554 32.265 0.00 0.00 +ATOM 8048 H1 WAT X1987 71.099 10.599 32.409 0.00 0.00 +ATOM 8049 H2 WAT X1987 69.918 9.659 32.508 0.00 0.00 +ATOM 8050 O WAT X1988 17.313 33.998 48.094 0.00 0.00 +ATOM 8051 H1 WAT X1988 17.194 34.667 47.420 0.00 0.00 +ATOM 8052 H2 WAT X1988 17.820 34.435 48.779 0.00 0.00 +ATOM 8053 O WAT X1989 16.464 27.651 12.992 0.00 0.00 +ATOM 8054 H1 WAT X1989 16.159 28.556 12.930 0.00 0.00 +ATOM 8055 H2 WAT X1989 16.392 27.437 13.922 0.00 0.00 +ATOM 8056 O WAT X1990 33.026 1.884 48.866 0.00 0.00 +ATOM 8057 H1 WAT X1990 32.771 2.306 49.687 0.00 0.00 +ATOM 8058 H2 WAT X1990 33.744 2.423 48.533 0.00 0.00 +ATOM 8059 O WAT X1991 42.983 61.376 15.237 0.00 0.00 +ATOM 8060 H1 WAT X1991 43.549 62.122 15.435 0.00 0.00 +ATOM 8061 H2 WAT X1991 42.352 61.356 15.957 0.00 0.00 +ATOM 8062 O WAT X1992 71.796 22.849 18.437 0.00 0.00 +ATOM 8063 H1 WAT X1992 71.042 23.107 17.908 0.00 0.00 +ATOM 8064 H2 WAT X1992 72.553 23.034 17.881 0.00 0.00 +ATOM 8065 O WAT X1993 54.731 49.540 43.694 0.00 0.00 +ATOM 8066 H1 WAT X1993 55.648 49.790 43.802 0.00 0.00 +ATOM 8067 H2 WAT X1993 54.648 48.720 44.181 0.00 0.00 +ATOM 8068 O WAT X1994 70.776 31.127 52.795 0.00 0.00 +ATOM 8069 H1 WAT X1994 70.928 31.668 52.020 0.00 0.00 +ATOM 8070 H2 WAT X1994 70.039 31.546 53.239 0.00 0.00 +ATOM 8071 O WAT X1995 22.628 58.429 43.172 0.00 0.00 +ATOM 8072 H1 WAT X1995 21.921 58.632 43.785 0.00 0.00 +ATOM 8073 H2 WAT X1995 22.181 58.213 42.354 0.00 0.00 +ATOM 8074 O WAT X1996 9.896 62.298 36.232 0.00 0.00 +ATOM 8075 H1 WAT X1996 10.810 62.110 36.444 0.00 0.00 +ATOM 8076 H2 WAT X1996 9.927 63.123 35.747 0.00 0.00 +ATOM 8077 O WAT X1997 28.652 23.371 47.608 0.00 0.00 +ATOM 8078 H1 WAT X1997 27.760 23.719 47.623 0.00 0.00 +ATOM 8079 H2 WAT X1997 29.137 23.978 47.049 0.00 0.00 +ATOM 8080 O WAT X1998 13.160 51.055 7.728 0.00 0.00 +ATOM 8081 H1 WAT X1998 13.619 50.217 7.790 0.00 0.00 +ATOM 8082 H2 WAT X1998 12.254 50.849 7.956 0.00 0.00 +ATOM 8083 O WAT X1999 58.912 33.622 47.619 0.00 0.00 +ATOM 8084 H1 WAT X1999 58.311 33.556 46.877 0.00 0.00 +ATOM 8085 H2 WAT X1999 59.022 32.720 47.920 0.00 0.00 +ATOM 8086 O WAT X2000 49.048 46.832 2.128 0.00 0.00 +ATOM 8087 H1 WAT X2000 49.911 47.244 2.159 0.00 0.00 +ATOM 8088 H2 WAT X2000 48.432 47.564 2.159 0.00 0.00 +ATOM 8089 O WAT X2001 58.395 42.766 43.523 0.00 0.00 +ATOM 8090 H1 WAT X2001 59.352 42.760 43.519 0.00 0.00 +ATOM 8091 H2 WAT X2001 58.160 42.885 44.444 0.00 0.00 +ATOM 8092 O WAT X2002 8.543 21.579 33.108 0.00 0.00 +ATOM 8093 H1 WAT X2002 7.746 21.962 32.743 0.00 0.00 +ATOM 8094 H2 WAT X2002 8.231 20.962 33.770 0.00 0.00 +ATOM 8095 O WAT X2003 51.173 5.154 8.440 0.00 0.00 +ATOM 8096 H1 WAT X2003 50.918 5.873 7.862 0.00 0.00 +ATOM 8097 H2 WAT X2003 50.761 5.364 9.279 0.00 0.00 +ATOM 8098 O WAT X2004 42.809 8.560 47.645 0.00 0.00 +ATOM 8099 H1 WAT X2004 43.605 8.729 47.141 0.00 0.00 +ATOM 8100 H2 WAT X2004 42.177 9.199 47.315 0.00 0.00 +ATOM 8101 O WAT X2005 66.953 63.194 50.727 0.00 0.00 +ATOM 8102 H1 WAT X2005 67.288 62.303 50.831 0.00 0.00 +ATOM 8103 H2 WAT X2005 66.460 63.360 51.530 0.00 0.00 +ATOM 8104 O WAT X2006 35.426 48.975 1.215 0.00 0.00 +ATOM 8105 H1 WAT X2006 35.311 49.912 1.376 0.00 0.00 +ATOM 8106 H2 WAT X2006 36.100 48.930 0.536 0.00 0.00 +ATOM 8107 O WAT X2007 60.223 42.360 47.245 0.00 0.00 +ATOM 8108 H1 WAT X2007 59.424 42.752 46.891 0.00 0.00 +ATOM 8109 H2 WAT X2007 59.917 41.788 47.949 0.00 0.00 +ATOM 8110 O WAT X2008 40.034 3.204 42.722 0.00 0.00 +ATOM 8111 H1 WAT X2008 40.333 3.423 41.839 0.00 0.00 +ATOM 8112 H2 WAT X2008 39.743 4.039 43.089 0.00 0.00 +ATOM 8113 O WAT X2009 71.534 55.536 3.382 0.00 0.00 +ATOM 8114 H1 WAT X2009 71.647 55.101 4.227 0.00 0.00 +ATOM 8115 H2 WAT X2009 71.512 56.469 3.594 0.00 0.00 +ATOM 8116 O WAT X2010 26.972 57.640 47.864 0.00 0.00 +ATOM 8117 H1 WAT X2010 27.784 57.919 48.289 0.00 0.00 +ATOM 8118 H2 WAT X2010 27.121 57.806 46.933 0.00 0.00 +ATOM 8119 O WAT X2011 56.289 24.945 10.238 0.00 0.00 +ATOM 8120 H1 WAT X2011 55.363 24.870 10.470 0.00 0.00 +ATOM 8121 H2 WAT X2011 56.616 25.658 10.786 0.00 0.00 +ATOM 8122 O WAT X2012 14.324 61.760 42.769 0.00 0.00 +ATOM 8123 H1 WAT X2012 14.192 61.415 41.886 0.00 0.00 +ATOM 8124 H2 WAT X2012 14.758 61.049 43.241 0.00 0.00 +ATOM 8125 O WAT X2013 38.820 31.367 5.362 0.00 0.00 +ATOM 8126 H1 WAT X2013 39.050 32.242 5.675 0.00 0.00 +ATOM 8127 H2 WAT X2013 37.896 31.434 5.122 0.00 0.00 +ATOM 8128 O WAT X2014 10.815 3.329 50.145 0.00 0.00 +ATOM 8129 H1 WAT X2014 10.207 2.692 49.769 0.00 0.00 +ATOM 8130 H2 WAT X2014 11.564 3.326 49.551 0.00 0.00 +ATOM 8131 O WAT X2015 10.220 26.842 26.342 0.00 0.00 +ATOM 8132 H1 WAT X2015 10.758 26.463 25.646 0.00 0.00 +ATOM 8133 H2 WAT X2015 10.731 26.707 27.140 0.00 0.00 +ATOM 8134 O WAT X2016 3.062 9.356 15.711 0.00 0.00 +ATOM 8135 H1 WAT X2016 3.777 8.737 15.566 0.00 0.00 +ATOM 8136 H2 WAT X2016 2.358 9.047 15.142 0.00 0.00 +ATOM 8137 O WAT X2017 8.731 56.447 10.526 0.00 0.00 +ATOM 8138 H1 WAT X2017 8.116 56.671 9.828 0.00 0.00 +ATOM 8139 H2 WAT X2017 9.577 56.369 10.085 0.00 0.00 +ATOM 8140 O WAT X2018 59.084 42.881 23.715 0.00 0.00 +ATOM 8141 H1 WAT X2018 59.037 42.280 24.458 0.00 0.00 +ATOM 8142 H2 WAT X2018 58.899 43.742 24.091 0.00 0.00 +ATOM 8143 O WAT X2019 13.325 46.961 34.188 0.00 0.00 +ATOM 8144 H1 WAT X2019 12.895 46.522 34.922 0.00 0.00 +ATOM 8145 H2 WAT X2019 12.604 47.293 33.653 0.00 0.00 +ATOM 8146 O WAT X2020 67.508 27.965 11.119 0.00 0.00 +ATOM 8147 H1 WAT X2020 67.643 27.223 11.709 0.00 0.00 +ATOM 8148 H2 WAT X2020 68.273 27.955 10.544 0.00 0.00 +ATOM 8149 O WAT X2021 6.527 42.206 37.770 0.00 0.00 +ATOM 8150 H1 WAT X2021 6.806 42.580 36.934 0.00 0.00 +ATOM 8151 H2 WAT X2021 7.341 41.945 38.200 0.00 0.00 +ATOM 8152 O WAT X2022 51.597 22.500 1.944 0.00 0.00 +ATOM 8153 H1 WAT X2022 50.656 22.533 2.117 0.00 0.00 +ATOM 8154 H2 WAT X2022 51.680 22.751 1.024 0.00 0.00 +ATOM 8155 O WAT X2023 28.073 22.351 0.097 0.00 0.00 +ATOM 8156 H1 WAT X2023 28.706 22.343 -0.621 0.00 0.00 +ATOM 8157 H2 WAT X2023 28.245 21.541 0.577 0.00 0.00 +ATOM 8158 O WAT X2024 44.301 7.657 8.092 0.00 0.00 +ATOM 8159 H1 WAT X2024 44.257 7.823 9.033 0.00 0.00 +ATOM 8160 H2 WAT X2024 43.835 8.394 7.696 0.00 0.00 +ATOM 8161 O WAT X2025 30.374 6.311 27.945 0.00 0.00 +ATOM 8162 H1 WAT X2025 30.243 5.849 28.773 0.00 0.00 +ATOM 8163 H2 WAT X2025 30.155 7.222 28.141 0.00 0.00 +ATOM 8164 O WAT X2026 52.386 34.642 0.133 0.00 0.00 +ATOM 8165 H1 WAT X2026 52.828 34.048 0.740 0.00 0.00 +ATOM 8166 H2 WAT X2026 51.911 34.064 -0.465 0.00 0.00 +ATOM 8167 O WAT X2027 18.472 57.252 50.548 0.00 0.00 +ATOM 8168 H1 WAT X2027 18.478 58.183 50.324 0.00 0.00 +ATOM 8169 H2 WAT X2027 17.640 56.928 50.203 0.00 0.00 +ATOM 8170 O WAT X2028 28.774 26.486 57.567 0.00 0.00 +ATOM 8171 H1 WAT X2028 28.509 25.874 58.254 0.00 0.00 +ATOM 8172 H2 WAT X2028 28.705 27.349 57.976 0.00 0.00 +ATOM 8173 O WAT X2029 56.328 4.263 44.673 0.00 0.00 +ATOM 8174 H1 WAT X2029 56.701 4.972 45.197 0.00 0.00 +ATOM 8175 H2 WAT X2029 55.774 3.778 45.285 0.00 0.00 +ATOM 8176 O WAT X2030 57.761 25.535 19.944 0.00 0.00 +ATOM 8177 H1 WAT X2030 58.209 24.689 19.958 0.00 0.00 +ATOM 8178 H2 WAT X2030 57.059 25.445 20.588 0.00 0.00 +ATOM 8179 O WAT X2031 11.597 58.887 0.799 0.00 0.00 +ATOM 8180 H1 WAT X2031 11.026 58.538 0.115 0.00 0.00 +ATOM 8181 H2 WAT X2031 12.211 59.454 0.332 0.00 0.00 +ATOM 8182 O WAT X2032 47.310 7.980 10.053 0.00 0.00 +ATOM 8183 H1 WAT X2032 46.934 7.211 9.625 0.00 0.00 +ATOM 8184 H2 WAT X2032 48.021 8.254 9.473 0.00 0.00 +ATOM 8185 O WAT X2033 2.327 19.227 42.001 0.00 0.00 +ATOM 8186 H1 WAT X2033 2.575 19.789 41.266 0.00 0.00 +ATOM 8187 H2 WAT X2033 3.131 19.130 42.511 0.00 0.00 +ATOM 8188 O WAT X2034 32.498 26.415 17.181 0.00 0.00 +ATOM 8189 H1 WAT X2034 32.778 26.517 18.090 0.00 0.00 +ATOM 8190 H2 WAT X2034 31.936 25.641 17.188 0.00 0.00 +ATOM 8191 O WAT X2035 1.342 46.929 15.057 0.00 0.00 +ATOM 8192 H1 WAT X2035 2.028 47.522 15.364 0.00 0.00 +ATOM 8193 H2 WAT X2035 1.596 46.072 15.398 0.00 0.00 +ATOM 8194 O WAT X2036 69.666 52.206 4.135 0.00 0.00 +ATOM 8195 H1 WAT X2036 70.400 52.558 3.632 0.00 0.00 +ATOM 8196 H2 WAT X2036 69.603 51.292 3.858 0.00 0.00 +ATOM 8197 O WAT X2037 3.357 46.301 39.866 0.00 0.00 +ATOM 8198 H1 WAT X2037 3.063 45.457 40.208 0.00 0.00 +ATOM 8199 H2 WAT X2037 2.603 46.880 39.976 0.00 0.00 +ATOM 8200 O WAT X2038 64.196 37.815 56.008 0.00 0.00 +ATOM 8201 H1 WAT X2038 64.536 37.300 55.276 0.00 0.00 +ATOM 8202 H2 WAT X2038 64.967 38.247 56.376 0.00 0.00 +ATOM 8203 O WAT X2039 54.407 38.015 21.915 0.00 0.00 +ATOM 8204 H1 WAT X2039 53.728 37.420 21.596 0.00 0.00 +ATOM 8205 H2 WAT X2039 54.461 38.698 21.247 0.00 0.00 +ATOM 8206 O WAT X2040 51.649 9.584 46.955 0.00 0.00 +ATOM 8207 H1 WAT X2040 51.958 10.483 47.072 0.00 0.00 +ATOM 8208 H2 WAT X2040 50.704 9.635 47.099 0.00 0.00 +ATOM 8209 O WAT X2041 18.738 4.902 12.068 0.00 0.00 +ATOM 8210 H1 WAT X2041 18.660 4.126 11.512 0.00 0.00 +ATOM 8211 H2 WAT X2041 19.338 4.638 12.765 0.00 0.00 +ATOM 8212 O WAT X2042 28.870 47.545 12.279 0.00 0.00 +ATOM 8213 H1 WAT X2042 29.342 47.241 11.503 0.00 0.00 +ATOM 8214 H2 WAT X2042 28.223 46.860 12.449 0.00 0.00 +ATOM 8215 O WAT X2043 5.827 21.721 6.427 0.00 0.00 +ATOM 8216 H1 WAT X2043 6.240 20.961 6.017 0.00 0.00 +ATOM 8217 H2 WAT X2043 4.888 21.567 6.327 0.00 0.00 +ATOM 8218 O WAT X2044 13.386 12.776 55.403 0.00 0.00 +ATOM 8219 H1 WAT X2044 13.374 12.576 56.339 0.00 0.00 +ATOM 8220 H2 WAT X2044 12.768 13.501 55.304 0.00 0.00 +ATOM 8221 O WAT X2045 56.983 5.447 42.034 0.00 0.00 +ATOM 8222 H1 WAT X2045 56.325 5.081 42.626 0.00 0.00 +ATOM 8223 H2 WAT X2045 56.475 5.912 41.369 0.00 0.00 +ATOM 8224 O WAT X2046 2.955 53.771 23.063 0.00 0.00 +ATOM 8225 H1 WAT X2046 2.310 53.444 22.437 0.00 0.00 +ATOM 8226 H2 WAT X2046 2.593 54.603 23.369 0.00 0.00 +ATOM 8227 O WAT X2047 53.358 3.930 0.767 0.00 0.00 +ATOM 8228 H1 WAT X2047 53.998 3.312 1.122 0.00 0.00 +ATOM 8229 H2 WAT X2047 53.528 3.935 -0.175 0.00 0.00 +ATOM 8230 O WAT X2048 14.584 0.877 11.983 0.00 0.00 +ATOM 8231 H1 WAT X2048 14.834 0.428 11.176 0.00 0.00 +ATOM 8232 H2 WAT X2048 13.629 0.927 11.943 0.00 0.00 +ATOM 8233 O WAT X2049 34.108 46.893 16.098 0.00 0.00 +ATOM 8234 H1 WAT X2049 34.504 46.082 16.417 0.00 0.00 +ATOM 8235 H2 WAT X2049 34.267 46.881 15.154 0.00 0.00 +ATOM 8236 O WAT X2050 65.587 54.623 3.913 0.00 0.00 +ATOM 8237 H1 WAT X2050 65.296 53.827 3.469 0.00 0.00 +ATOM 8238 H2 WAT X2050 64.813 54.932 4.384 0.00 0.00 +ATOM 8239 O WAT X2051 22.586 54.487 35.711 0.00 0.00 +ATOM 8240 H1 WAT X2051 22.895 53.667 36.095 0.00 0.00 +ATOM 8241 H2 WAT X2051 21.917 54.800 36.319 0.00 0.00 +ATOM 8242 O WAT X2052 63.422 28.375 5.825 0.00 0.00 +ATOM 8243 H1 WAT X2052 63.928 28.860 5.173 0.00 0.00 +ATOM 8244 H2 WAT X2052 62.960 27.705 5.321 0.00 0.00 +ATOM 8245 O WAT X2053 11.476 38.905 12.800 0.00 0.00 +ATOM 8246 H1 WAT X2053 10.697 39.285 13.205 0.00 0.00 +ATOM 8247 H2 WAT X2053 12.197 39.168 13.373 0.00 0.00 +ATOM 8248 O WAT X2054 53.297 0.499 49.874 0.00 0.00 +ATOM 8249 H1 WAT X2054 53.267 -0.043 50.663 0.00 0.00 +ATOM 8250 H2 WAT X2054 53.258 1.398 50.200 0.00 0.00 +ATOM 8251 O WAT X2055 2.170 17.311 12.565 0.00 0.00 +ATOM 8252 H1 WAT X2055 2.726 16.580 12.833 0.00 0.00 +ATOM 8253 H2 WAT X2055 2.513 18.063 13.048 0.00 0.00 +ATOM 8254 O WAT X2056 62.815 27.586 9.869 0.00 0.00 +ATOM 8255 H1 WAT X2056 63.492 28.261 9.907 0.00 0.00 +ATOM 8256 H2 WAT X2056 62.994 27.113 9.056 0.00 0.00 +ATOM 8257 O WAT X2057 45.889 45.884 49.526 0.00 0.00 +ATOM 8258 H1 WAT X2057 45.762 46.360 48.705 0.00 0.00 +ATOM 8259 H2 WAT X2057 45.013 45.828 49.908 0.00 0.00 +ATOM 8260 O WAT X2058 30.032 49.270 48.160 0.00 0.00 +ATOM 8261 H1 WAT X2058 29.238 49.308 48.694 0.00 0.00 +ATOM 8262 H2 WAT X2058 30.146 48.339 47.968 0.00 0.00 +ATOM 8263 O WAT X2059 72.709 30.108 47.286 0.00 0.00 +ATOM 8264 H1 WAT X2059 73.188 30.519 48.005 0.00 0.00 +ATOM 8265 H2 WAT X2059 72.676 29.180 47.519 0.00 0.00 +ATOM 8266 O WAT X2060 63.629 30.983 36.641 0.00 0.00 +ATOM 8267 H1 WAT X2060 63.538 31.598 35.913 0.00 0.00 +ATOM 8268 H2 WAT X2060 63.497 31.518 37.424 0.00 0.00 +ATOM 8269 O WAT X2061 47.227 39.718 15.847 0.00 0.00 +ATOM 8270 H1 WAT X2061 47.051 39.202 15.060 0.00 0.00 +ATOM 8271 H2 WAT X2061 48.178 39.685 15.947 0.00 0.00 +ATOM 8272 O WAT X2062 52.742 54.158 58.212 0.00 0.00 +ATOM 8273 H1 WAT X2062 52.713 54.300 57.266 0.00 0.00 +ATOM 8274 H2 WAT X2062 51.913 53.724 58.415 0.00 0.00 +ATOM 8275 O WAT X2063 24.965 48.106 7.776 0.00 0.00 +ATOM 8276 H1 WAT X2063 25.432 47.628 8.461 0.00 0.00 +ATOM 8277 H2 WAT X2063 24.153 48.393 8.194 0.00 0.00 +ATOM 8278 O WAT X2064 44.926 54.839 40.632 0.00 0.00 +ATOM 8279 H1 WAT X2064 45.599 54.160 40.581 0.00 0.00 +ATOM 8280 H2 WAT X2064 44.378 54.692 39.861 0.00 0.00 +ATOM 8281 O WAT X2065 1.338 2.129 53.805 0.00 0.00 +ATOM 8282 H1 WAT X2065 0.935 2.995 53.744 0.00 0.00 +ATOM 8283 H2 WAT X2065 0.651 1.571 54.171 0.00 0.00 +ATOM 8284 O WAT X2066 74.427 51.544 35.004 0.00 0.00 +ATOM 8285 H1 WAT X2066 73.676 52.133 35.077 0.00 0.00 +ATOM 8286 H2 WAT X2066 74.512 51.381 34.065 0.00 0.00 +ATOM 8287 O WAT X2067 74.409 32.238 42.881 0.00 0.00 +ATOM 8288 H1 WAT X2067 73.703 32.120 43.517 0.00 0.00 +ATOM 8289 H2 WAT X2067 74.540 31.367 42.505 0.00 0.00 +ATOM 8290 O WAT X2068 58.280 50.362 46.253 0.00 0.00 +ATOM 8291 H1 WAT X2068 57.933 51.254 46.269 0.00 0.00 +ATOM 8292 H2 WAT X2068 59.155 50.439 46.634 0.00 0.00 +ATOM 8293 O WAT X2069 3.360 46.112 49.972 0.00 0.00 +ATOM 8294 H1 WAT X2069 3.273 45.961 49.030 0.00 0.00 +ATOM 8295 H2 WAT X2069 2.460 46.171 50.290 0.00 0.00 +ATOM 8296 O WAT X2070 15.930 50.567 34.691 0.00 0.00 +ATOM 8297 H1 WAT X2070 15.383 50.823 35.434 0.00 0.00 +ATOM 8298 H2 WAT X2070 15.876 51.309 34.088 0.00 0.00 +ATOM 8299 O WAT X2071 30.470 52.896 41.962 0.00 0.00 +ATOM 8300 H1 WAT X2071 30.736 52.003 41.742 0.00 0.00 +ATOM 8301 H2 WAT X2071 30.574 53.384 41.145 0.00 0.00 +ATOM 8302 O WAT X2072 53.444 10.933 22.487 0.00 0.00 +ATOM 8303 H1 WAT X2072 53.581 11.251 23.379 0.00 0.00 +ATOM 8304 H2 WAT X2072 54.237 10.436 22.286 0.00 0.00 +ATOM 8305 O WAT X2073 66.547 24.121 55.519 0.00 0.00 +ATOM 8306 H1 WAT X2073 66.253 23.927 56.409 0.00 0.00 +ATOM 8307 H2 WAT X2073 65.939 24.791 55.206 0.00 0.00 +ATOM 8308 O WAT X2074 40.839 52.503 29.226 0.00 0.00 +ATOM 8309 H1 WAT X2074 41.537 52.522 28.571 0.00 0.00 +ATOM 8310 H2 WAT X2074 40.565 53.416 29.310 0.00 0.00 +ATOM 8311 O WAT X2075 45.285 61.661 9.289 0.00 0.00 +ATOM 8312 H1 WAT X2075 44.989 61.899 10.168 0.00 0.00 +ATOM 8313 H2 WAT X2075 46.223 61.851 9.293 0.00 0.00 +ATOM 8314 O WAT X2076 21.866 55.523 15.590 0.00 0.00 +ATOM 8315 H1 WAT X2076 20.916 55.420 15.534 0.00 0.00 +ATOM 8316 H2 WAT X2076 21.998 56.158 16.294 0.00 0.00 +ATOM 8317 O WAT X2077 3.660 5.192 50.279 0.00 0.00 +ATOM 8318 H1 WAT X2077 4.287 4.763 49.696 0.00 0.00 +ATOM 8319 H2 WAT X2077 3.745 6.124 50.078 0.00 0.00 +ATOM 8320 O WAT X2078 13.756 4.232 29.592 0.00 0.00 +ATOM 8321 H1 WAT X2078 13.693 4.052 30.530 0.00 0.00 +ATOM 8322 H2 WAT X2078 13.307 5.069 29.478 0.00 0.00 +ATOM 8323 O WAT X2079 49.604 0.668 4.280 0.00 0.00 +ATOM 8324 H1 WAT X2079 50.181 0.689 3.517 0.00 0.00 +ATOM 8325 H2 WAT X2079 49.966 1.327 4.872 0.00 0.00 +ATOM 8326 O WAT X2080 43.823 29.751 53.993 0.00 0.00 +ATOM 8327 H1 WAT X2080 44.035 30.622 54.329 0.00 0.00 +ATOM 8328 H2 WAT X2080 44.389 29.159 54.490 0.00 0.00 +ATOM 8329 O WAT X2081 60.536 35.451 7.208 0.00 0.00 +ATOM 8330 H1 WAT X2081 61.353 34.990 7.393 0.00 0.00 +ATOM 8331 H2 WAT X2081 60.410 36.027 7.963 0.00 0.00 +ATOM 8332 O WAT X2082 70.339 54.686 39.817 0.00 0.00 +ATOM 8333 H1 WAT X2082 70.252 54.706 40.770 0.00 0.00 +ATOM 8334 H2 WAT X2082 69.545 55.113 39.495 0.00 0.00 +ATOM 8335 O WAT X2083 76.389 5.449 45.680 0.00 0.00 +ATOM 8336 H1 WAT X2083 76.379 6.344 45.340 0.00 0.00 +ATOM 8337 H2 WAT X2083 75.600 5.046 45.317 0.00 0.00 +ATOM 8338 O WAT X2084 67.411 52.136 44.147 0.00 0.00 +ATOM 8339 H1 WAT X2084 68.085 51.524 44.443 0.00 0.00 +ATOM 8340 H2 WAT X2084 67.299 51.939 43.217 0.00 0.00 +ATOM 8341 O WAT X2085 71.714 12.274 3.798 0.00 0.00 +ATOM 8342 H1 WAT X2085 71.993 12.770 4.568 0.00 0.00 +ATOM 8343 H2 WAT X2085 71.645 12.930 3.104 0.00 0.00 +ATOM 8344 O WAT X2086 52.894 19.484 13.997 0.00 0.00 +ATOM 8345 H1 WAT X2086 53.570 19.513 13.320 0.00 0.00 +ATOM 8346 H2 WAT X2086 52.075 19.629 13.524 0.00 0.00 +ATOM 8347 O WAT X2087 77.235 43.885 12.973 0.00 0.00 +ATOM 8348 H1 WAT X2087 77.680 44.701 12.744 0.00 0.00 +ATOM 8349 H2 WAT X2087 77.453 43.285 12.260 0.00 0.00 +ATOM 8350 O WAT X2088 15.865 39.943 22.655 0.00 0.00 +ATOM 8351 H1 WAT X2088 16.455 39.631 23.342 0.00 0.00 +ATOM 8352 H2 WAT X2088 16.240 40.780 22.380 0.00 0.00 +ATOM 8353 O WAT X2089 64.960 27.872 39.913 0.00 0.00 +ATOM 8354 H1 WAT X2089 64.441 28.424 40.498 0.00 0.00 +ATOM 8355 H2 WAT X2089 64.646 28.091 39.036 0.00 0.00 +ATOM 8356 O WAT X2090 58.007 20.701 27.396 0.00 0.00 +ATOM 8357 H1 WAT X2090 57.921 19.832 27.789 0.00 0.00 +ATOM 8358 H2 WAT X2090 57.368 20.705 26.683 0.00 0.00 +ATOM 8359 O WAT X2091 73.960 35.449 9.199 0.00 0.00 +ATOM 8360 H1 WAT X2091 73.810 36.260 9.684 0.00 0.00 +ATOM 8361 H2 WAT X2091 73.710 34.755 9.809 0.00 0.00 +ATOM 8362 O WAT X2092 17.766 61.214 3.243 0.00 0.00 +ATOM 8363 H1 WAT X2092 18.349 60.460 3.155 0.00 0.00 +ATOM 8364 H2 WAT X2092 18.321 61.970 3.053 0.00 0.00 +ATOM 8365 O WAT X2093 63.876 49.957 38.238 0.00 0.00 +ATOM 8366 H1 WAT X2093 63.857 50.224 39.157 0.00 0.00 +ATOM 8367 H2 WAT X2093 64.002 50.773 37.754 0.00 0.00 +ATOM 8368 O WAT X2094 55.078 14.503 0.505 0.00 0.00 +ATOM 8369 H1 WAT X2094 54.156 14.368 0.283 0.00 0.00 +ATOM 8370 H2 WAT X2094 55.312 15.322 0.067 0.00 0.00 +ATOM 8371 O WAT X2095 57.417 20.583 35.899 0.00 0.00 +ATOM 8372 H1 WAT X2095 57.296 20.124 35.068 0.00 0.00 +ATOM 8373 H2 WAT X2095 57.452 21.509 35.658 0.00 0.00 +ATOM 8374 O WAT X2096 53.385 10.593 30.023 0.00 0.00 +ATOM 8375 H1 WAT X2096 54.104 10.761 29.414 0.00 0.00 +ATOM 8376 H2 WAT X2096 52.787 11.330 29.897 0.00 0.00 +ATOM 8377 O WAT X2097 22.745 0.664 36.132 0.00 0.00 +ATOM 8378 H1 WAT X2097 22.368 -0.207 36.007 0.00 0.00 +ATOM 8379 H2 WAT X2097 22.219 1.235 35.572 0.00 0.00 +ATOM 8380 O WAT X2098 41.725 7.450 37.690 0.00 0.00 +ATOM 8381 H1 WAT X2098 42.207 6.635 37.544 0.00 0.00 +ATOM 8382 H2 WAT X2098 42.328 8.138 37.408 0.00 0.00 +ATOM 8383 O WAT X2099 38.533 58.658 0.367 0.00 0.00 +ATOM 8384 H1 WAT X2099 37.830 58.519 -0.268 0.00 0.00 +ATOM 8385 H2 WAT X2099 38.098 59.053 1.123 0.00 0.00 +ATOM 8386 O WAT X2100 48.815 53.604 39.593 0.00 0.00 +ATOM 8387 H1 WAT X2100 48.113 53.782 40.218 0.00 0.00 +ATOM 8388 H2 WAT X2100 49.575 53.402 40.138 0.00 0.00 +ATOM 8389 O WAT X2101 63.309 31.705 57.478 0.00 0.00 +ATOM 8390 H1 WAT X2101 64.258 31.718 57.358 0.00 0.00 +ATOM 8391 H2 WAT X2101 62.965 32.174 56.718 0.00 0.00 +ATOM 8392 O WAT X2102 70.103 43.323 6.245 0.00 0.00 +ATOM 8393 H1 WAT X2102 70.678 42.953 5.575 0.00 0.00 +ATOM 8394 H2 WAT X2102 69.222 43.069 5.971 0.00 0.00 +ATOM 8395 O WAT X2103 63.878 23.435 16.821 0.00 0.00 +ATOM 8396 H1 WAT X2103 63.533 23.305 15.937 0.00 0.00 +ATOM 8397 H2 WAT X2103 63.978 24.383 16.902 0.00 0.00 +ATOM 8398 O WAT X2104 11.951 53.161 10.572 0.00 0.00 +ATOM 8399 H1 WAT X2104 12.841 53.145 10.925 0.00 0.00 +ATOM 8400 H2 WAT X2104 11.495 52.462 11.040 0.00 0.00 +ATOM 8401 O WAT X2105 57.018 49.918 17.783 0.00 0.00 +ATOM 8402 H1 WAT X2105 57.368 49.070 18.057 0.00 0.00 +ATOM 8403 H2 WAT X2105 56.365 50.135 18.448 0.00 0.00 +ATOM 8404 O WAT X2106 38.933 29.094 43.495 0.00 0.00 +ATOM 8405 H1 WAT X2106 38.127 28.753 43.882 0.00 0.00 +ATOM 8406 H2 WAT X2106 38.638 29.638 42.765 0.00 0.00 +ATOM 8407 O WAT X2107 18.655 43.707 6.574 0.00 0.00 +ATOM 8408 H1 WAT X2107 18.936 44.446 6.033 0.00 0.00 +ATOM 8409 H2 WAT X2107 18.534 42.989 5.953 0.00 0.00 +ATOM 8410 O WAT X2108 56.832 23.077 22.077 0.00 0.00 +ATOM 8411 H1 WAT X2108 57.592 22.751 22.559 0.00 0.00 +ATOM 8412 H2 WAT X2108 56.383 23.651 22.698 0.00 0.00 +ATOM 8413 O WAT X2109 63.477 42.103 41.672 0.00 0.00 +ATOM 8414 H1 WAT X2109 63.735 41.205 41.467 0.00 0.00 +ATOM 8415 H2 WAT X2109 63.587 42.578 40.848 0.00 0.00 +ATOM 8416 O WAT X2110 29.132 52.556 20.215 0.00 0.00 +ATOM 8417 H1 WAT X2110 28.397 53.135 20.013 0.00 0.00 +ATOM 8418 H2 WAT X2110 29.309 52.707 21.143 0.00 0.00 +ATOM 8419 O WAT X2111 10.951 36.862 30.309 0.00 0.00 +ATOM 8420 H1 WAT X2111 10.223 36.632 29.731 0.00 0.00 +ATOM 8421 H2 WAT X2111 10.580 36.820 31.190 0.00 0.00 +ATOM 8422 O WAT X2112 71.845 21.999 20.893 0.00 0.00 +ATOM 8423 H1 WAT X2112 71.982 22.630 21.600 0.00 0.00 +ATOM 8424 H2 WAT X2112 71.860 22.527 20.095 0.00 0.00 +ATOM 8425 O WAT X2113 12.071 20.636 9.667 0.00 0.00 +ATOM 8426 H1 WAT X2113 12.095 21.378 10.271 0.00 0.00 +ATOM 8427 H2 WAT X2113 12.076 21.036 8.797 0.00 0.00 +ATOM 8428 O WAT X2114 68.618 19.207 9.382 0.00 0.00 +ATOM 8429 H1 WAT X2114 68.350 20.045 9.004 0.00 0.00 +ATOM 8430 H2 WAT X2114 67.800 18.723 9.495 0.00 0.00 +ATOM 8431 O WAT X2115 60.498 52.911 50.066 0.00 0.00 +ATOM 8432 H1 WAT X2115 59.607 52.598 50.222 0.00 0.00 +ATOM 8433 H2 WAT X2115 61.059 52.213 50.403 0.00 0.00 +ATOM 8434 O WAT X2116 8.487 59.376 32.633 0.00 0.00 +ATOM 8435 H1 WAT X2116 7.585 59.055 32.651 0.00 0.00 +ATOM 8436 H2 WAT X2116 8.745 59.417 33.554 0.00 0.00 +ATOM 8437 O WAT X2117 75.845 49.461 36.292 0.00 0.00 +ATOM 8438 H1 WAT X2117 75.138 50.088 36.139 0.00 0.00 +ATOM 8439 H2 WAT X2117 76.506 49.958 36.774 0.00 0.00 +ATOM 8440 O WAT X2118 28.768 30.109 11.199 0.00 0.00 +ATOM 8441 H1 WAT X2118 27.911 29.908 10.823 0.00 0.00 +ATOM 8442 H2 WAT X2118 29.228 30.585 10.507 0.00 0.00 +ATOM 8443 O WAT X2119 24.031 4.083 30.342 0.00 0.00 +ATOM 8444 H1 WAT X2119 23.962 5.026 30.494 0.00 0.00 +ATOM 8445 H2 WAT X2119 24.701 3.998 29.664 0.00 0.00 +ATOM 8446 O WAT X2120 68.878 5.061 42.425 0.00 0.00 +ATOM 8447 H1 WAT X2120 68.184 4.996 41.770 0.00 0.00 +ATOM 8448 H2 WAT X2120 68.468 4.768 43.239 0.00 0.00 +ATOM 8449 O WAT X2121 62.652 46.075 48.701 0.00 0.00 +ATOM 8450 H1 WAT X2121 61.975 45.404 48.797 0.00 0.00 +ATOM 8451 H2 WAT X2121 63.001 46.191 49.585 0.00 0.00 +ATOM 8452 O WAT X2122 61.901 56.225 30.766 0.00 0.00 +ATOM 8453 H1 WAT X2122 61.024 56.181 30.384 0.00 0.00 +ATOM 8454 H2 WAT X2122 62.404 56.757 30.149 0.00 0.00 +ATOM 8455 O WAT X2123 38.186 57.989 27.667 0.00 0.00 +ATOM 8456 H1 WAT X2123 37.522 57.749 28.313 0.00 0.00 +ATOM 8457 H2 WAT X2123 37.884 57.586 26.853 0.00 0.00 +ATOM 8458 O WAT X2124 36.837 11.096 28.634 0.00 0.00 +ATOM 8459 H1 WAT X2124 37.236 11.819 29.117 0.00 0.00 +ATOM 8460 H2 WAT X2124 35.995 10.954 29.067 0.00 0.00 +ATOM 8461 O WAT X2125 35.142 18.728 32.014 0.00 0.00 +ATOM 8462 H1 WAT X2125 35.301 18.703 31.070 0.00 0.00 +ATOM 8463 H2 WAT X2125 34.766 19.594 32.171 0.00 0.00 +ATOM 8464 O WAT X2126 63.834 51.200 51.742 0.00 0.00 +ATOM 8465 H1 WAT X2126 64.203 51.811 51.105 0.00 0.00 +ATOM 8466 H2 WAT X2126 63.146 51.700 52.182 0.00 0.00 +ATOM 8467 O WAT X2127 20.070 40.414 2.198 0.00 0.00 +ATOM 8468 H1 WAT X2127 20.980 40.704 2.251 0.00 0.00 +ATOM 8469 H2 WAT X2127 20.123 39.511 1.885 0.00 0.00 +ATOM 8470 O WAT X2128 65.510 51.410 6.345 0.00 0.00 +ATOM 8471 H1 WAT X2128 65.239 51.841 5.535 0.00 0.00 +ATOM 8472 H2 WAT X2128 66.112 50.722 6.061 0.00 0.00 +ATOM 8473 O WAT X2129 74.249 34.917 28.514 0.00 0.00 +ATOM 8474 H1 WAT X2129 74.302 34.383 27.721 0.00 0.00 +ATOM 8475 H2 WAT X2129 74.098 34.287 29.218 0.00 0.00 +ATOM 8476 O WAT X2130 44.958 46.461 42.098 0.00 0.00 +ATOM 8477 H1 WAT X2130 45.819 46.129 42.355 0.00 0.00 +ATOM 8478 H2 WAT X2130 45.065 46.720 41.183 0.00 0.00 +ATOM 8479 O WAT X2131 22.857 53.883 31.243 0.00 0.00 +ATOM 8480 H1 WAT X2131 23.107 53.605 32.125 0.00 0.00 +ATOM 8481 H2 WAT X2131 23.667 53.831 30.737 0.00 0.00 +ATOM 8482 O WAT X2132 77.551 51.180 14.674 0.00 0.00 +ATOM 8483 H1 WAT X2132 76.931 51.038 13.959 0.00 0.00 +ATOM 8484 H2 WAT X2132 78.386 51.349 14.238 0.00 0.00 +ATOM 8485 O WAT X2133 6.787 29.263 46.180 0.00 0.00 +ATOM 8486 H1 WAT X2133 7.196 30.113 46.016 0.00 0.00 +ATOM 8487 H2 WAT X2133 6.104 29.193 45.512 0.00 0.00 +ATOM 8488 O WAT X2134 43.026 60.984 38.865 0.00 0.00 +ATOM 8489 H1 WAT X2134 42.135 61.148 39.173 0.00 0.00 +ATOM 8490 H2 WAT X2134 43.574 61.113 39.639 0.00 0.00 +ATOM 8491 O WAT X2135 63.893 53.523 50.068 0.00 0.00 +ATOM 8492 H1 WAT X2135 64.595 54.163 49.957 0.00 0.00 +ATOM 8493 H2 WAT X2135 63.102 53.985 49.789 0.00 0.00 +ATOM 8494 O WAT X2136 77.866 21.355 28.812 0.00 0.00 +ATOM 8495 H1 WAT X2136 76.969 21.675 28.908 0.00 0.00 +ATOM 8496 H2 WAT X2136 78.399 22.149 28.765 0.00 0.00 +ATOM 8497 O WAT X2137 3.077 36.934 33.602 0.00 0.00 +ATOM 8498 H1 WAT X2137 3.813 37.522 33.428 0.00 0.00 +ATOM 8499 H2 WAT X2137 2.426 37.488 34.032 0.00 0.00 +ATOM 8500 O WAT X2138 72.871 19.163 37.528 0.00 0.00 +ATOM 8501 H1 WAT X2138 73.691 19.051 38.008 0.00 0.00 +ATOM 8502 H2 WAT X2138 72.298 18.476 37.869 0.00 0.00 +ATOM 8503 O WAT X2139 58.941 53.985 22.918 0.00 0.00 +ATOM 8504 H1 WAT X2139 59.334 54.539 22.244 0.00 0.00 +ATOM 8505 H2 WAT X2139 59.626 53.354 23.140 0.00 0.00 +ATOM 8506 O WAT X2140 6.146 47.517 49.552 0.00 0.00 +ATOM 8507 H1 WAT X2140 5.316 47.423 49.085 0.00 0.00 +ATOM 8508 H2 WAT X2140 6.396 48.431 49.413 0.00 0.00 +ATOM 8509 O WAT X2141 58.193 8.982 45.125 0.00 0.00 +ATOM 8510 H1 WAT X2141 57.602 8.386 44.664 0.00 0.00 +ATOM 8511 H2 WAT X2141 58.092 8.753 46.049 0.00 0.00 +ATOM 8512 O WAT X2142 76.959 27.712 16.085 0.00 0.00 +ATOM 8513 H1 WAT X2142 77.523 28.224 15.505 0.00 0.00 +ATOM 8514 H2 WAT X2142 76.115 27.684 15.634 0.00 0.00 +ATOM 8515 O WAT X2143 60.749 44.495 57.824 0.00 0.00 +ATOM 8516 H1 WAT X2143 60.164 44.566 57.070 0.00 0.00 +ATOM 8517 H2 WAT X2143 61.444 43.905 57.534 0.00 0.00 +ATOM 8518 O WAT X2144 34.279 15.140 34.821 0.00 0.00 +ATOM 8519 H1 WAT X2144 35.037 14.864 34.306 0.00 0.00 +ATOM 8520 H2 WAT X2144 34.646 15.400 35.667 0.00 0.00 +ATOM 8521 O WAT X2145 28.933 53.462 36.597 0.00 0.00 +ATOM 8522 H1 WAT X2145 29.502 53.681 35.859 0.00 0.00 +ATOM 8523 H2 WAT X2145 28.051 53.670 36.290 0.00 0.00 +ATOM 8524 O WAT X2146 58.598 62.666 7.421 0.00 0.00 +ATOM 8525 H1 WAT X2146 58.855 63.560 7.647 0.00 0.00 +ATOM 8526 H2 WAT X2146 58.178 62.330 8.213 0.00 0.00 +ATOM 8527 O WAT X2147 42.074 41.965 58.554 0.00 0.00 +ATOM 8528 H1 WAT X2147 42.427 42.533 57.870 0.00 0.00 +ATOM 8529 H2 WAT X2147 42.076 41.091 58.165 0.00 0.00 +ATOM 8530 O WAT X2148 65.279 62.241 21.118 0.00 0.00 +ATOM 8531 H1 WAT X2148 64.350 62.309 21.340 0.00 0.00 +ATOM 8532 H2 WAT X2148 65.674 61.804 21.872 0.00 0.00 +ATOM 8533 O WAT X2149 53.937 21.463 3.197 0.00 0.00 +ATOM 8534 H1 WAT X2149 53.247 21.986 2.789 0.00 0.00 +ATOM 8535 H2 WAT X2149 53.643 21.342 4.100 0.00 0.00 +ATOM 8536 O WAT X2150 49.618 48.768 20.720 0.00 0.00 +ATOM 8537 H1 WAT X2150 48.831 48.297 20.447 0.00 0.00 +ATOM 8538 H2 WAT X2150 49.835 49.326 19.974 0.00 0.00 +ATOM 8539 O WAT X2151 24.462 37.786 35.029 0.00 0.00 +ATOM 8540 H1 WAT X2151 25.217 37.361 34.624 0.00 0.00 +ATOM 8541 H2 WAT X2151 24.071 37.107 35.579 0.00 0.00 +ATOM 8542 O WAT X2152 21.567 14.228 27.078 0.00 0.00 +ATOM 8543 H1 WAT X2152 22.089 14.735 27.700 0.00 0.00 +ATOM 8544 H2 WAT X2152 20.981 13.706 27.626 0.00 0.00 +ATOM 8545 O WAT X2153 13.893 32.565 25.153 0.00 0.00 +ATOM 8546 H1 WAT X2153 14.790 32.247 25.052 0.00 0.00 +ATOM 8547 H2 WAT X2153 13.959 33.512 25.026 0.00 0.00 +ATOM 8548 O WAT X2154 66.836 62.395 38.171 0.00 0.00 +ATOM 8549 H1 WAT X2154 67.488 61.700 38.082 0.00 0.00 +ATOM 8550 H2 WAT X2154 66.111 61.986 38.643 0.00 0.00 +ATOM 8551 O WAT X2155 39.933 9.819 36.589 0.00 0.00 +ATOM 8552 H1 WAT X2155 39.666 10.286 35.797 0.00 0.00 +ATOM 8553 H2 WAT X2155 40.793 9.458 36.375 0.00 0.00 +ATOM 8554 O WAT X2156 7.585 7.786 48.055 0.00 0.00 +ATOM 8555 H1 WAT X2156 7.681 7.402 48.926 0.00 0.00 +ATOM 8556 H2 WAT X2156 6.644 7.756 47.883 0.00 0.00 +ATOM 8557 O WAT X2157 3.265 8.492 0.483 0.00 0.00 +ATOM 8558 H1 WAT X2157 3.713 7.822 1.000 0.00 0.00 +ATOM 8559 H2 WAT X2157 2.618 8.006 -0.029 0.00 0.00 +ATOM 8560 O WAT X2158 27.961 43.830 30.363 0.00 0.00 +ATOM 8561 H1 WAT X2158 27.549 43.007 30.628 0.00 0.00 +ATOM 8562 H2 WAT X2158 27.422 44.509 30.770 0.00 0.00 +ATOM 8563 O WAT X2159 41.300 19.235 23.518 0.00 0.00 +ATOM 8564 H1 WAT X2159 40.484 19.716 23.652 0.00 0.00 +ATOM 8565 H2 WAT X2159 41.972 19.914 23.463 0.00 0.00 +ATOM 8566 O WAT X2160 24.344 44.911 49.780 0.00 0.00 +ATOM 8567 H1 WAT X2160 24.813 44.715 50.591 0.00 0.00 +ATOM 8568 H2 WAT X2160 23.819 44.128 49.612 0.00 0.00 +ATOM 8569 O WAT X2161 55.474 57.745 55.258 0.00 0.00 +ATOM 8570 H1 WAT X2161 55.438 57.358 54.384 0.00 0.00 +ATOM 8571 H2 WAT X2161 56.103 57.203 55.735 0.00 0.00 +ATOM 8572 O WAT X2162 71.022 37.253 15.986 0.00 0.00 +ATOM 8573 H1 WAT X2162 70.214 36.855 16.311 0.00 0.00 +ATOM 8574 H2 WAT X2162 70.770 38.146 15.750 0.00 0.00 +ATOM 8575 O WAT X2163 14.174 31.910 55.327 0.00 0.00 +ATOM 8576 H1 WAT X2163 13.224 31.901 55.211 0.00 0.00 +ATOM 8577 H2 WAT X2163 14.521 31.625 54.481 0.00 0.00 +ATOM 8578 O WAT X2164 67.948 41.710 37.719 0.00 0.00 +ATOM 8579 H1 WAT X2164 68.090 42.410 37.082 0.00 0.00 +ATOM 8580 H2 WAT X2164 68.104 42.124 38.568 0.00 0.00 +ATOM 8581 O WAT X2165 38.381 45.813 10.444 0.00 0.00 +ATOM 8582 H1 WAT X2165 37.639 45.219 10.553 0.00 0.00 +ATOM 8583 H2 WAT X2165 37.994 46.620 10.105 0.00 0.00 +ATOM 8584 O WAT X2166 69.611 38.684 6.911 0.00 0.00 +ATOM 8585 H1 WAT X2166 68.900 39.206 7.282 0.00 0.00 +ATOM 8586 H2 WAT X2166 70.399 39.203 7.074 0.00 0.00 +ATOM 8587 O WAT X2167 32.050 39.909 42.159 0.00 0.00 +ATOM 8588 H1 WAT X2167 31.153 40.216 42.289 0.00 0.00 +ATOM 8589 H2 WAT X2167 32.495 40.112 42.982 0.00 0.00 +ATOM 8590 O WAT X2168 74.679 47.809 45.776 0.00 0.00 +ATOM 8591 H1 WAT X2168 74.453 47.590 46.680 0.00 0.00 +ATOM 8592 H2 WAT X2168 74.740 48.764 45.770 0.00 0.00 +ATOM 8593 O WAT X2169 7.901 19.415 43.148 0.00 0.00 +ATOM 8594 H1 WAT X2169 7.855 18.531 43.513 0.00 0.00 +ATOM 8595 H2 WAT X2169 6.988 19.691 43.074 0.00 0.00 +ATOM 8596 O WAT X2170 65.672 46.142 11.034 0.00 0.00 +ATOM 8597 H1 WAT X2170 64.886 46.551 10.671 0.00 0.00 +ATOM 8598 H2 WAT X2170 65.399 45.819 11.893 0.00 0.00 +ATOM 8599 O WAT X2171 14.213 27.251 17.461 0.00 0.00 +ATOM 8600 H1 WAT X2171 14.273 27.577 18.359 0.00 0.00 +ATOM 8601 H2 WAT X2171 13.736 27.934 16.989 0.00 0.00 +ATOM 8602 O WAT X2172 55.278 60.349 53.610 0.00 0.00 +ATOM 8603 H1 WAT X2172 54.862 59.492 53.701 0.00 0.00 +ATOM 8604 H2 WAT X2172 56.055 60.298 54.167 0.00 0.00 +ATOM 8605 O WAT X2173 19.579 6.756 48.837 0.00 0.00 +ATOM 8606 H1 WAT X2173 19.210 6.412 48.024 0.00 0.00 +ATOM 8607 H2 WAT X2173 20.138 7.481 48.559 0.00 0.00 +ATOM 8608 O WAT X2174 29.498 60.396 33.340 0.00 0.00 +ATOM 8609 H1 WAT X2174 28.777 60.989 33.129 0.00 0.00 +ATOM 8610 H2 WAT X2174 29.109 59.744 33.922 0.00 0.00 +ATOM 8611 O WAT X2175 44.847 35.245 57.453 0.00 0.00 +ATOM 8612 H1 WAT X2175 45.473 34.812 56.872 0.00 0.00 +ATOM 8613 H2 WAT X2175 44.364 34.527 57.862 0.00 0.00 +ATOM 8614 O WAT X2176 24.223 3.261 52.995 0.00 0.00 +ATOM 8615 H1 WAT X2176 24.139 2.310 53.068 0.00 0.00 +ATOM 8616 H2 WAT X2176 23.924 3.460 52.108 0.00 0.00 +ATOM 8617 O WAT X2177 34.861 57.745 21.514 0.00 0.00 +ATOM 8618 H1 WAT X2177 33.960 57.451 21.645 0.00 0.00 +ATOM 8619 H2 WAT X2177 34.895 58.011 20.595 0.00 0.00 +ATOM 8620 O WAT X2178 37.082 56.501 39.459 0.00 0.00 +ATOM 8621 H1 WAT X2178 37.896 56.805 39.861 0.00 0.00 +ATOM 8622 H2 WAT X2178 37.057 55.563 39.647 0.00 0.00 +ATOM 8623 O WAT X2179 67.278 0.866 25.652 0.00 0.00 +ATOM 8624 H1 WAT X2179 66.971 1.221 24.818 0.00 0.00 +ATOM 8625 H2 WAT X2179 68.229 0.968 25.620 0.00 0.00 +ATOM 8626 O WAT X2180 46.826 30.634 12.883 0.00 0.00 +ATOM 8627 H1 WAT X2180 46.308 30.935 12.136 0.00 0.00 +ATOM 8628 H2 WAT X2180 47.735 30.723 12.596 0.00 0.00 +ATOM 8629 O WAT X2181 26.248 54.235 43.352 0.00 0.00 +ATOM 8630 H1 WAT X2181 26.576 54.331 44.246 0.00 0.00 +ATOM 8631 H2 WAT X2181 25.950 53.327 43.302 0.00 0.00 +ATOM 8632 O WAT X2182 12.626 19.916 37.162 0.00 0.00 +ATOM 8633 H1 WAT X2182 12.204 20.474 36.509 0.00 0.00 +ATOM 8634 H2 WAT X2182 13.002 20.529 37.794 0.00 0.00 +ATOM 8635 O WAT X2183 69.316 45.611 12.772 0.00 0.00 +ATOM 8636 H1 WAT X2183 69.485 44.675 12.878 0.00 0.00 +ATOM 8637 H2 WAT X2183 70.043 45.927 12.235 0.00 0.00 +ATOM 8638 O WAT X2184 40.817 36.825 45.709 0.00 0.00 +ATOM 8639 H1 WAT X2184 40.512 37.274 44.920 0.00 0.00 +ATOM 8640 H2 WAT X2184 40.836 37.506 46.380 0.00 0.00 +ATOM 8641 O WAT X2185 56.571 23.160 14.252 0.00 0.00 +ATOM 8642 H1 WAT X2185 55.919 23.859 14.197 0.00 0.00 +ATOM 8643 H2 WAT X2185 56.221 22.559 14.910 0.00 0.00 +ATOM 8644 O WAT X2186 60.565 48.513 25.150 0.00 0.00 +ATOM 8645 H1 WAT X2186 60.433 47.946 25.911 0.00 0.00 +ATOM 8646 H2 WAT X2186 61.354 48.170 24.730 0.00 0.00 +ATOM 8647 O WAT X2187 40.279 52.234 35.279 0.00 0.00 +ATOM 8648 H1 WAT X2187 39.488 52.247 34.739 0.00 0.00 +ATOM 8649 H2 WAT X2187 40.982 52.485 34.679 0.00 0.00 +ATOM 8650 O WAT X2188 27.086 17.242 7.380 0.00 0.00 +ATOM 8651 H1 WAT X2188 26.955 16.983 6.468 0.00 0.00 +ATOM 8652 H2 WAT X2188 26.605 18.065 7.468 0.00 0.00 +ATOM 8653 O WAT X2189 9.600 56.623 35.060 0.00 0.00 +ATOM 8654 H1 WAT X2189 9.304 57.220 35.747 0.00 0.00 +ATOM 8655 H2 WAT X2189 9.569 55.757 35.465 0.00 0.00 +ATOM 8656 O WAT X2190 37.420 55.243 9.064 0.00 0.00 +ATOM 8657 H1 WAT X2190 38.292 55.599 8.894 0.00 0.00 +ATOM 8658 H2 WAT X2190 36.889 55.550 8.330 0.00 0.00 +ATOM 8659 O WAT X2191 64.070 54.436 9.527 0.00 0.00 +ATOM 8660 H1 WAT X2191 64.831 53.911 9.280 0.00 0.00 +ATOM 8661 H2 WAT X2191 64.439 55.196 9.977 0.00 0.00 +ATOM 8662 O WAT X2192 29.526 2.809 1.796 0.00 0.00 +ATOM 8663 H1 WAT X2192 29.547 3.301 2.617 0.00 0.00 +ATOM 8664 H2 WAT X2192 30.160 3.254 1.234 0.00 0.00 +ATOM 8665 O WAT X2193 22.819 51.160 4.242 0.00 0.00 +ATOM 8666 H1 WAT X2193 23.453 51.878 4.233 0.00 0.00 +ATOM 8667 H2 WAT X2193 22.487 51.123 3.345 0.00 0.00 +ATOM 8668 O WAT X2194 31.345 59.094 22.054 0.00 0.00 +ATOM 8669 H1 WAT X2194 30.390 59.040 22.009 0.00 0.00 +ATOM 8670 H2 WAT X2194 31.605 58.324 22.558 0.00 0.00 +ATOM 8671 O WAT X2195 52.617 42.433 48.518 0.00 0.00 +ATOM 8672 H1 WAT X2195 52.251 41.597 48.229 0.00 0.00 +ATOM 8673 H2 WAT X2195 51.878 42.894 48.915 0.00 0.00 +ATOM 8674 O WAT X2196 10.192 32.239 32.928 0.00 0.00 +ATOM 8675 H1 WAT X2196 10.250 33.104 32.521 0.00 0.00 +ATOM 8676 H2 WAT X2196 9.987 32.420 33.845 0.00 0.00 +ATOM 8677 O WAT X2197 74.251 21.970 42.754 0.00 0.00 +ATOM 8678 H1 WAT X2197 73.376 21.681 42.497 0.00 0.00 +ATOM 8679 H2 WAT X2197 74.239 21.949 43.711 0.00 0.00 +ATOM 8680 O WAT X2198 45.647 6.627 47.619 0.00 0.00 +ATOM 8681 H1 WAT X2198 45.767 6.884 46.705 0.00 0.00 +ATOM 8682 H2 WAT X2198 44.920 6.005 47.599 0.00 0.00 +ATOM 8683 O WAT X2199 51.256 37.877 44.657 0.00 0.00 +ATOM 8684 H1 WAT X2199 51.676 38.662 44.304 0.00 0.00 +ATOM 8685 H2 WAT X2199 51.974 37.257 44.781 0.00 0.00 +ATOM 8686 O WAT X2200 14.438 57.881 33.786 0.00 0.00 +ATOM 8687 H1 WAT X2200 13.983 58.655 33.455 0.00 0.00 +ATOM 8688 H2 WAT X2200 15.324 58.189 33.978 0.00 0.00 +ATOM 8689 O WAT X2201 35.208 48.797 28.921 0.00 0.00 +ATOM 8690 H1 WAT X2201 35.723 48.049 29.221 0.00 0.00 +ATOM 8691 H2 WAT X2201 35.276 48.768 27.966 0.00 0.00 +ATOM 8692 O WAT X2202 6.328 47.531 8.184 0.00 0.00 +ATOM 8693 H1 WAT X2202 7.076 47.045 7.838 0.00 0.00 +ATOM 8694 H2 WAT X2202 5.653 46.866 8.323 0.00 0.00 +ATOM 8695 O WAT X2203 58.791 35.982 56.633 0.00 0.00 +ATOM 8696 H1 WAT X2203 58.909 36.865 56.985 0.00 0.00 +ATOM 8697 H2 WAT X2203 59.443 35.452 57.092 0.00 0.00 +ATOM 8698 O WAT X2204 67.823 30.853 36.225 0.00 0.00 +ATOM 8699 H1 WAT X2204 67.378 30.181 36.741 0.00 0.00 +ATOM 8700 H2 WAT X2204 68.023 31.546 36.854 0.00 0.00 +ATOM 8701 O WAT X2205 6.863 42.626 31.613 0.00 0.00 +ATOM 8702 H1 WAT X2205 5.955 42.322 31.628 0.00 0.00 +ATOM 8703 H2 WAT X2205 7.240 42.216 30.834 0.00 0.00 +ATOM 8704 O WAT X2206 29.204 31.722 46.190 0.00 0.00 +ATOM 8705 H1 WAT X2206 28.931 32.128 47.013 0.00 0.00 +ATOM 8706 H2 WAT X2206 29.032 30.789 46.315 0.00 0.00 +ATOM 8707 O WAT X2207 6.510 34.079 16.669 0.00 0.00 +ATOM 8708 H1 WAT X2207 5.585 33.843 16.609 0.00 0.00 +ATOM 8709 H2 WAT X2207 6.583 34.893 16.172 0.00 0.00 +ATOM 8710 O WAT X2208 44.606 37.568 54.390 0.00 0.00 +ATOM 8711 H1 WAT X2208 44.968 37.625 55.274 0.00 0.00 +ATOM 8712 H2 WAT X2208 44.653 36.637 54.172 0.00 0.00 +ATOM 8713 O WAT X2209 3.944 41.696 24.463 0.00 0.00 +ATOM 8714 H1 WAT X2209 3.316 42.274 24.896 0.00 0.00 +ATOM 8715 H2 WAT X2209 3.663 40.813 24.706 0.00 0.00 +ATOM 8716 O WAT X2210 1.165 42.900 38.542 0.00 0.00 +ATOM 8717 H1 WAT X2210 0.898 42.321 39.257 0.00 0.00 +ATOM 8718 H2 WAT X2210 2.106 42.749 38.451 0.00 0.00 +ATOM 8719 O WAT X2211 1.490 52.437 43.485 0.00 0.00 +ATOM 8720 H1 WAT X2211 1.760 53.050 42.801 0.00 0.00 +ATOM 8721 H2 WAT X2211 2.039 51.666 43.346 0.00 0.00 +ATOM 8722 O WAT X2212 14.212 5.669 11.876 0.00 0.00 +ATOM 8723 H1 WAT X2212 13.495 5.179 11.473 0.00 0.00 +ATOM 8724 H2 WAT X2212 14.965 5.501 11.311 0.00 0.00 +ATOM 8725 O WAT X2213 44.063 36.547 44.812 0.00 0.00 +ATOM 8726 H1 WAT X2213 44.381 36.014 45.541 0.00 0.00 +ATOM 8727 H2 WAT X2213 43.347 37.061 45.185 0.00 0.00 +ATOM 8728 O WAT X2214 77.494 36.265 19.126 0.00 0.00 +ATOM 8729 H1 WAT X2214 78.382 36.611 19.217 0.00 0.00 +ATOM 8730 H2 WAT X2214 76.927 37.027 19.250 0.00 0.00 +ATOM 8731 O WAT X2215 72.282 55.967 52.384 0.00 0.00 +ATOM 8732 H1 WAT X2215 72.879 56.552 51.918 0.00 0.00 +ATOM 8733 H2 WAT X2215 72.572 55.087 52.143 0.00 0.00 +ATOM 8734 O WAT X2216 27.780 60.222 3.097 0.00 0.00 +ATOM 8735 H1 WAT X2216 28.361 60.957 2.898 0.00 0.00 +ATOM 8736 H2 WAT X2216 27.000 60.383 2.566 0.00 0.00 +ATOM 8737 O WAT X2217 66.440 26.480 41.638 0.00 0.00 +ATOM 8738 H1 WAT X2217 65.674 25.956 41.871 0.00 0.00 +ATOM 8739 H2 WAT X2217 66.161 26.987 40.876 0.00 0.00 +ATOM 8740 O WAT X2218 31.598 42.086 5.409 0.00 0.00 +ATOM 8741 H1 WAT X2218 32.092 41.434 5.905 0.00 0.00 +ATOM 8742 H2 WAT X2218 30.867 42.319 5.981 0.00 0.00 +ATOM 8743 O WAT X2219 53.859 49.221 37.403 0.00 0.00 +ATOM 8744 H1 WAT X2219 53.798 49.528 38.307 0.00 0.00 +ATOM 8745 H2 WAT X2219 53.401 49.888 36.892 0.00 0.00 +ATOM 8746 O WAT X2220 41.336 41.021 12.812 0.00 0.00 +ATOM 8747 H1 WAT X2220 41.165 40.260 13.368 0.00 0.00 +ATOM 8748 H2 WAT X2220 40.518 41.519 12.830 0.00 0.00 +ATOM 8749 O WAT X2221 51.683 45.093 40.813 0.00 0.00 +ATOM 8750 H1 WAT X2221 51.492 44.299 40.314 0.00 0.00 +ATOM 8751 H2 WAT X2221 51.556 45.806 40.187 0.00 0.00 +ATOM 8752 O WAT X2222 11.021 45.054 15.095 0.00 0.00 +ATOM 8753 H1 WAT X2222 10.551 44.922 14.272 0.00 0.00 +ATOM 8754 H2 WAT X2222 11.079 46.005 15.188 0.00 0.00 +ATOM 8755 O WAT X2223 19.819 44.678 38.601 0.00 0.00 +ATOM 8756 H1 WAT X2223 20.649 44.225 38.749 0.00 0.00 +ATOM 8757 H2 WAT X2223 19.544 44.395 37.729 0.00 0.00 +ATOM 8758 O WAT X2224 64.948 47.961 7.639 0.00 0.00 +ATOM 8759 H1 WAT X2224 65.884 48.123 7.526 0.00 0.00 +ATOM 8760 H2 WAT X2224 64.839 47.032 7.436 0.00 0.00 +ATOM 8761 O WAT X2225 20.382 1.547 29.064 0.00 0.00 +ATOM 8762 H1 WAT X2225 20.550 1.264 29.963 0.00 0.00 +ATOM 8763 H2 WAT X2225 19.442 1.409 28.942 0.00 0.00 +ATOM 8764 O WAT X2226 29.268 39.402 6.533 0.00 0.00 +ATOM 8765 H1 WAT X2226 30.170 39.161 6.741 0.00 0.00 +ATOM 8766 H2 WAT X2226 29.263 39.515 5.582 0.00 0.00 +ATOM 8767 O WAT X2227 65.749 37.539 39.684 0.00 0.00 +ATOM 8768 H1 WAT X2227 66.582 37.079 39.586 0.00 0.00 +ATOM 8769 H2 WAT X2227 65.606 37.959 38.836 0.00 0.00 +ATOM 8770 O WAT X2228 14.466 41.132 51.917 0.00 0.00 +ATOM 8771 H1 WAT X2228 14.069 41.999 51.999 0.00 0.00 +ATOM 8772 H2 WAT X2228 13.825 40.620 51.425 0.00 0.00 +ATOM 8773 O WAT X2229 57.137 42.165 53.419 0.00 0.00 +ATOM 8774 H1 WAT X2229 57.310 43.098 53.299 0.00 0.00 +ATOM 8775 H2 WAT X2229 56.286 42.024 53.005 0.00 0.00 +ATOM 8776 O WAT X2230 23.434 30.142 51.642 0.00 0.00 +ATOM 8777 H1 WAT X2230 23.389 29.190 51.547 0.00 0.00 +ATOM 8778 H2 WAT X2230 23.316 30.477 50.753 0.00 0.00 +ATOM 8779 O WAT X2231 59.238 51.466 4.669 0.00 0.00 +ATOM 8780 H1 WAT X2231 59.195 51.936 3.836 0.00 0.00 +ATOM 8781 H2 WAT X2231 60.153 51.197 4.745 0.00 0.00 +ATOM 8782 O WAT X2232 16.276 42.465 17.390 0.00 0.00 +ATOM 8783 H1 WAT X2232 16.039 42.842 18.237 0.00 0.00 +ATOM 8784 H2 WAT X2232 17.131 42.061 17.538 0.00 0.00 +ATOM 8785 O WAT X2233 50.741 8.748 34.645 0.00 0.00 +ATOM 8786 H1 WAT X2233 51.129 8.933 35.500 0.00 0.00 +ATOM 8787 H2 WAT X2233 50.031 8.133 34.832 0.00 0.00 +ATOM 8788 O WAT X2234 45.565 9.290 37.306 0.00 0.00 +ATOM 8789 H1 WAT X2234 45.570 8.441 36.864 0.00 0.00 +ATOM 8790 H2 WAT X2234 46.266 9.785 36.883 0.00 0.00 +ATOM 8791 O WAT X2235 70.472 37.492 2.292 0.00 0.00 +ATOM 8792 H1 WAT X2235 71.044 37.553 3.057 0.00 0.00 +ATOM 8793 H2 WAT X2235 69.611 37.281 2.653 0.00 0.00 +ATOM 8794 O WAT X2236 24.586 18.275 57.106 0.00 0.00 +ATOM 8795 H1 WAT X2236 24.673 17.351 57.341 0.00 0.00 +ATOM 8796 H2 WAT X2236 24.329 18.706 57.921 0.00 0.00 +ATOM 8797 O WAT X2237 13.352 3.984 8.230 0.00 0.00 +ATOM 8798 H1 WAT X2237 14.287 3.912 8.424 0.00 0.00 +ATOM 8799 H2 WAT X2237 13.292 4.709 7.608 0.00 0.00 +ATOM 8800 O WAT X2238 49.229 50.883 55.924 0.00 0.00 +ATOM 8801 H1 WAT X2238 48.759 51.457 56.530 0.00 0.00 +ATOM 8802 H2 WAT X2238 49.775 50.335 56.487 0.00 0.00 +ATOM 8803 O WAT X2239 32.399 52.468 36.216 0.00 0.00 +ATOM 8804 H1 WAT X2239 32.781 51.658 35.879 0.00 0.00 +ATOM 8805 H2 WAT X2239 32.945 53.162 35.847 0.00 0.00 +ATOM 8806 O WAT X2240 21.280 58.036 13.781 0.00 0.00 +ATOM 8807 H1 WAT X2240 21.067 57.103 13.752 0.00 0.00 +ATOM 8808 H2 WAT X2240 21.211 58.270 14.707 0.00 0.00 +ATOM 8809 O WAT X2241 26.318 27.808 45.773 0.00 0.00 +ATOM 8810 H1 WAT X2241 26.914 28.335 46.305 0.00 0.00 +ATOM 8811 H2 WAT X2241 25.522 27.742 46.301 0.00 0.00 +ATOM 8812 O WAT X2242 5.611 0.247 26.983 0.00 0.00 +ATOM 8813 H1 WAT X2242 5.646 -0.563 27.492 0.00 0.00 +ATOM 8814 H2 WAT X2242 6.305 0.792 27.352 0.00 0.00 +ATOM 8815 O WAT X2243 29.863 21.712 4.502 0.00 0.00 +ATOM 8816 H1 WAT X2243 30.265 21.125 3.862 0.00 0.00 +ATOM 8817 H2 WAT X2243 29.147 21.201 4.879 0.00 0.00 +ATOM 8818 O WAT X2244 46.562 11.128 54.401 0.00 0.00 +ATOM 8819 H1 WAT X2244 45.927 11.843 54.427 0.00 0.00 +ATOM 8820 H2 WAT X2244 46.201 10.465 54.990 0.00 0.00 +ATOM 8821 O WAT X2245 66.769 7.437 46.799 0.00 0.00 +ATOM 8822 H1 WAT X2245 65.880 7.707 46.568 0.00 0.00 +ATOM 8823 H2 WAT X2245 66.776 7.435 47.756 0.00 0.00 +ATOM 8824 O WAT X2246 16.559 38.578 2.575 0.00 0.00 +ATOM 8825 H1 WAT X2246 17.289 38.785 1.992 0.00 0.00 +ATOM 8826 H2 WAT X2246 15.786 38.609 2.010 0.00 0.00 +ATOM 8827 O WAT X2247 14.010 15.428 8.128 0.00 0.00 +ATOM 8828 H1 WAT X2247 13.701 16.202 7.658 0.00 0.00 +ATOM 8829 H2 WAT X2247 14.932 15.610 8.309 0.00 0.00 +ATOM 8830 O WAT X2248 69.072 6.967 50.017 0.00 0.00 +ATOM 8831 H1 WAT X2248 69.116 7.923 50.057 0.00 0.00 +ATOM 8832 H2 WAT X2248 68.312 6.739 50.553 0.00 0.00 +ATOM 8833 O WAT X2249 31.817 0.797 13.275 0.00 0.00 +ATOM 8834 H1 WAT X2249 30.877 0.961 13.355 0.00 0.00 +ATOM 8835 H2 WAT X2249 32.136 1.500 12.710 0.00 0.00 +ATOM 8836 O WAT X2250 57.468 15.864 14.979 0.00 0.00 +ATOM 8837 H1 WAT X2250 56.936 15.079 15.107 0.00 0.00 +ATOM 8838 H2 WAT X2250 56.838 16.542 14.735 0.00 0.00 +ATOM 8839 O WAT X2251 33.710 55.852 1.607 0.00 0.00 +ATOM 8840 H1 WAT X2251 33.043 55.222 1.336 0.00 0.00 +ATOM 8841 H2 WAT X2251 33.641 55.880 2.561 0.00 0.00 +ATOM 8842 O WAT X2252 52.045 10.910 9.735 0.00 0.00 +ATOM 8843 H1 WAT X2252 51.458 10.897 10.490 0.00 0.00 +ATOM 8844 H2 WAT X2252 52.349 10.006 9.651 0.00 0.00 +ATOM 8845 O WAT X2253 68.920 20.510 28.270 0.00 0.00 +ATOM 8846 H1 WAT X2253 68.443 19.811 27.822 0.00 0.00 +ATOM 8847 H2 WAT X2253 69.005 21.201 27.614 0.00 0.00 +ATOM 8848 O WAT X2254 70.981 29.791 30.953 0.00 0.00 +ATOM 8849 H1 WAT X2254 70.886 29.104 31.613 0.00 0.00 +ATOM 8850 H2 WAT X2254 70.325 29.578 30.289 0.00 0.00 +ATOM 8851 O WAT X2255 75.729 43.934 3.147 0.00 0.00 +ATOM 8852 H1 WAT X2255 76.530 44.382 3.416 0.00 0.00 +ATOM 8853 H2 WAT X2255 75.942 43.003 3.210 0.00 0.00 +ATOM 8854 O WAT X2256 64.374 25.676 54.576 0.00 0.00 +ATOM 8855 H1 WAT X2256 63.459 25.656 54.296 0.00 0.00 +ATOM 8856 H2 WAT X2256 64.836 26.098 53.852 0.00 0.00 +ATOM 8857 O WAT X2257 58.365 47.651 12.029 0.00 0.00 +ATOM 8858 H1 WAT X2257 58.043 47.974 12.870 0.00 0.00 +ATOM 8859 H2 WAT X2257 59.212 47.254 12.233 0.00 0.00 +ATOM 8860 O WAT X2258 51.684 55.805 52.291 0.00 0.00 +ATOM 8861 H1 WAT X2258 51.788 54.953 52.715 0.00 0.00 +ATOM 8862 H2 WAT X2258 50.737 55.925 52.223 0.00 0.00 +ATOM 8863 O WAT X2259 64.768 48.579 49.069 0.00 0.00 +ATOM 8864 H1 WAT X2259 64.498 48.881 48.202 0.00 0.00 +ATOM 8865 H2 WAT X2259 63.987 48.684 49.613 0.00 0.00 +ATOM 8866 O WAT X2260 15.909 7.545 33.002 0.00 0.00 +ATOM 8867 H1 WAT X2260 16.379 7.985 32.294 0.00 0.00 +ATOM 8868 H2 WAT X2260 16.161 8.024 33.791 0.00 0.00 +ATOM 8869 O WAT X2261 51.678 54.701 10.671 0.00 0.00 +ATOM 8870 H1 WAT X2261 51.191 55.037 11.423 0.00 0.00 +ATOM 8871 H2 WAT X2261 52.201 53.982 11.025 0.00 0.00 +ATOM 8872 O WAT X2262 60.904 24.447 22.362 0.00 0.00 +ATOM 8873 H1 WAT X2262 61.488 23.698 22.238 0.00 0.00 +ATOM 8874 H2 WAT X2262 60.996 24.957 21.557 0.00 0.00 +ATOM 8875 O WAT X2263 42.724 41.206 4.795 0.00 0.00 +ATOM 8876 H1 WAT X2263 43.149 40.938 3.980 0.00 0.00 +ATOM 8877 H2 WAT X2263 43.349 41.805 5.204 0.00 0.00 +ATOM 8878 O WAT X2264 66.849 54.914 22.501 0.00 0.00 +ATOM 8879 H1 WAT X2264 66.018 55.382 22.427 0.00 0.00 +ATOM 8880 H2 WAT X2264 66.870 54.339 21.735 0.00 0.00 +ATOM 8881 O WAT X2265 64.875 15.702 21.272 0.00 0.00 +ATOM 8882 H1 WAT X2265 64.459 16.563 21.224 0.00 0.00 +ATOM 8883 H2 WAT X2265 64.581 15.340 22.108 0.00 0.00 +ATOM 8884 O WAT X2266 64.262 32.200 54.432 0.00 0.00 +ATOM 8885 H1 WAT X2266 64.804 32.788 53.906 0.00 0.00 +ATOM 8886 H2 WAT X2266 64.160 31.418 53.890 0.00 0.00 +ATOM 8887 O WAT X2267 61.354 54.199 9.661 0.00 0.00 +ATOM 8888 H1 WAT X2267 61.413 53.782 10.520 0.00 0.00 +ATOM 8889 H2 WAT X2267 62.264 54.319 9.390 0.00 0.00 +ATOM 8890 O WAT X2268 36.850 34.575 52.795 0.00 0.00 +ATOM 8891 H1 WAT X2268 36.269 35.225 53.191 0.00 0.00 +ATOM 8892 H2 WAT X2268 37.413 34.288 53.514 0.00 0.00 +ATOM 8893 O WAT X2269 4.622 16.793 0.180 0.00 0.00 +ATOM 8894 H1 WAT X2269 4.034 17.427 0.591 0.00 0.00 +ATOM 8895 H2 WAT X2269 4.082 16.013 0.053 0.00 0.00 +ATOM 8896 O WAT X2270 31.771 59.908 56.024 0.00 0.00 +ATOM 8897 H1 WAT X2270 31.051 59.728 56.628 0.00 0.00 +ATOM 8898 H2 WAT X2270 31.771 60.860 55.927 0.00 0.00 +ATOM 8899 O WAT X2271 30.242 37.484 56.712 0.00 0.00 +ATOM 8900 H1 WAT X2271 30.446 37.288 55.797 0.00 0.00 +ATOM 8901 H2 WAT X2271 31.093 37.496 57.149 0.00 0.00 +ATOM 8902 O WAT X2272 76.721 39.833 36.668 0.00 0.00 +ATOM 8903 H1 WAT X2272 77.246 40.037 35.894 0.00 0.00 +ATOM 8904 H2 WAT X2272 77.351 39.823 37.388 0.00 0.00 +ATOM 8905 O WAT X2273 19.715 36.769 41.959 0.00 0.00 +ATOM 8906 H1 WAT X2273 20.607 36.788 42.306 0.00 0.00 +ATOM 8907 H2 WAT X2273 19.779 36.237 41.166 0.00 0.00 +ATOM 8908 O WAT X2274 69.884 61.009 23.349 0.00 0.00 +ATOM 8909 H1 WAT X2274 69.713 61.948 23.283 0.00 0.00 +ATOM 8910 H2 WAT X2274 70.319 60.785 22.527 0.00 0.00 +ATOM 8911 O WAT X2275 3.363 48.836 54.368 0.00 0.00 +ATOM 8912 H1 WAT X2275 3.692 48.604 53.500 0.00 0.00 +ATOM 8913 H2 WAT X2275 3.454 49.788 54.412 0.00 0.00 +ATOM 8914 O WAT X2276 77.298 39.972 12.294 0.00 0.00 +ATOM 8915 H1 WAT X2276 77.772 39.490 12.972 0.00 0.00 +ATOM 8916 H2 WAT X2276 77.877 40.699 12.068 0.00 0.00 +ATOM 8917 O WAT X2277 28.364 16.909 10.204 0.00 0.00 +ATOM 8918 H1 WAT X2277 28.956 16.257 10.580 0.00 0.00 +ATOM 8919 H2 WAT X2277 28.638 16.982 9.290 0.00 0.00 +ATOM 8920 O WAT X2278 64.669 4.917 4.135 0.00 0.00 +ATOM 8921 H1 WAT X2278 63.762 4.630 4.030 0.00 0.00 +ATOM 8922 H2 WAT X2278 64.823 4.887 5.079 0.00 0.00 +ATOM 8923 O WAT X2279 57.201 22.805 11.732 0.00 0.00 +ATOM 8924 H1 WAT X2279 56.911 23.603 11.290 0.00 0.00 +ATOM 8925 H2 WAT X2279 56.880 22.897 12.629 0.00 0.00 +ATOM 8926 O WAT X2280 72.804 40.206 29.600 0.00 0.00 +ATOM 8927 H1 WAT X2280 73.065 41.119 29.722 0.00 0.00 +ATOM 8928 H2 WAT X2280 73.580 39.781 29.234 0.00 0.00 +ATOM 8929 O WAT X2281 18.664 52.234 11.740 0.00 0.00 +ATOM 8930 H1 WAT X2281 18.063 51.491 11.684 0.00 0.00 +ATOM 8931 H2 WAT X2281 18.348 52.740 12.489 0.00 0.00 +ATOM 8932 O WAT X2282 39.114 38.314 54.206 0.00 0.00 +ATOM 8933 H1 WAT X2282 39.930 37.875 54.447 0.00 0.00 +ATOM 8934 H2 WAT X2282 39.395 39.110 53.754 0.00 0.00 +ATOM 8935 O WAT X2283 10.350 13.497 38.830 0.00 0.00 +ATOM 8936 H1 WAT X2283 10.344 13.669 39.771 0.00 0.00 +ATOM 8937 H2 WAT X2283 11.278 13.500 38.592 0.00 0.00 +ATOM 8938 O WAT X2284 54.694 5.263 16.943 0.00 0.00 +ATOM 8939 H1 WAT X2284 55.422 5.370 16.331 0.00 0.00 +ATOM 8940 H2 WAT X2284 55.039 5.572 17.781 0.00 0.00 +ATOM 8941 O WAT X2285 62.145 3.499 11.718 0.00 0.00 +ATOM 8942 H1 WAT X2285 61.820 3.702 10.841 0.00 0.00 +ATOM 8943 H2 WAT X2285 63.098 3.495 11.625 0.00 0.00 +ATOM 8944 O WAT X2286 12.806 29.385 4.758 0.00 0.00 +ATOM 8945 H1 WAT X2286 13.650 29.173 5.155 0.00 0.00 +ATOM 8946 H2 WAT X2286 12.335 29.867 5.438 0.00 0.00 +ATOM 8947 O WAT X2287 31.442 6.297 1.705 0.00 0.00 +ATOM 8948 H1 WAT X2287 31.537 5.585 2.337 0.00 0.00 +ATOM 8949 H2 WAT X2287 30.521 6.551 1.768 0.00 0.00 +ATOM 8950 O WAT X2288 70.280 5.539 35.142 0.00 0.00 +ATOM 8951 H1 WAT X2288 70.657 4.993 35.832 0.00 0.00 +ATOM 8952 H2 WAT X2288 71.034 5.833 34.631 0.00 0.00 +ATOM 8953 O WAT X2289 46.311 37.309 11.245 0.00 0.00 +ATOM 8954 H1 WAT X2289 47.103 37.401 10.714 0.00 0.00 +ATOM 8955 H2 WAT X2289 45.764 36.695 10.754 0.00 0.00 +ATOM 8956 O WAT X2290 63.905 48.772 52.920 0.00 0.00 +ATOM 8957 H1 WAT X2290 64.002 49.519 52.330 0.00 0.00 +ATOM 8958 H2 WAT X2290 63.926 48.008 52.344 0.00 0.00 +ATOM 8959 O WAT X2291 64.758 46.748 18.903 0.00 0.00 +ATOM 8960 H1 WAT X2291 65.133 47.559 19.246 0.00 0.00 +ATOM 8961 H2 WAT X2291 64.748 46.871 17.954 0.00 0.00 +ATOM 8962 O WAT X2292 3.158 27.016 31.659 0.00 0.00 +ATOM 8963 H1 WAT X2292 4.014 27.370 31.899 0.00 0.00 +ATOM 8964 H2 WAT X2292 3.039 27.276 30.745 0.00 0.00 +ATOM 8965 O WAT X2293 50.313 8.622 7.374 0.00 0.00 +ATOM 8966 H1 WAT X2293 50.666 7.968 6.771 0.00 0.00 +ATOM 8967 H2 WAT X2293 50.395 9.451 6.903 0.00 0.00 +ATOM 8968 O WAT X2294 52.599 16.714 2.185 0.00 0.00 +ATOM 8969 H1 WAT X2294 53.536 16.641 2.366 0.00 0.00 +ATOM 8970 H2 WAT X2294 52.403 17.643 2.309 0.00 0.00 +ATOM 8971 O WAT X2295 50.469 16.160 0.561 0.00 0.00 +ATOM 8972 H1 WAT X2295 51.024 16.099 -0.217 0.00 0.00 +ATOM 8973 H2 WAT X2295 51.017 16.600 1.211 0.00 0.00 +ATOM 8974 O WAT X2296 63.557 12.959 35.449 0.00 0.00 +ATOM 8975 H1 WAT X2296 64.164 13.693 35.346 0.00 0.00 +ATOM 8976 H2 WAT X2296 62.688 13.358 35.397 0.00 0.00 +ATOM 8977 O WAT X2297 66.823 3.495 26.955 0.00 0.00 +ATOM 8978 H1 WAT X2297 66.498 4.231 26.436 0.00 0.00 +ATOM 8979 H2 WAT X2297 66.516 2.718 26.488 0.00 0.00 +ATOM 8980 O WAT X2298 54.999 13.542 23.240 0.00 0.00 +ATOM 8981 H1 WAT X2298 54.558 13.360 24.070 0.00 0.00 +ATOM 8982 H2 WAT X2298 54.876 14.481 23.105 0.00 0.00 +ATOM 8983 O WAT X2299 75.665 53.394 29.620 0.00 0.00 +ATOM 8984 H1 WAT X2299 75.087 53.863 29.019 0.00 0.00 +ATOM 8985 H2 WAT X2299 75.916 52.603 29.143 0.00 0.00 +ATOM 8986 O WAT X2300 14.826 52.544 10.417 0.00 0.00 +ATOM 8987 H1 WAT X2300 14.941 53.215 9.744 0.00 0.00 +ATOM 8988 H2 WAT X2300 14.863 51.716 9.939 0.00 0.00 +ATOM 8989 O WAT X2301 48.906 41.296 36.309 0.00 0.00 +ATOM 8990 H1 WAT X2301 49.521 40.923 35.678 0.00 0.00 +ATOM 8991 H2 WAT X2301 49.392 42.008 36.724 0.00 0.00 +ATOM 8992 O WAT X2302 58.259 26.004 23.096 0.00 0.00 +ATOM 8993 H1 WAT X2302 58.941 25.373 22.866 0.00 0.00 +ATOM 8994 H2 WAT X2302 58.734 26.741 23.479 0.00 0.00 +ATOM 8995 O WAT X2303 32.495 2.564 21.277 0.00 0.00 +ATOM 8996 H1 WAT X2303 32.781 2.159 22.096 0.00 0.00 +ATOM 8997 H2 WAT X2303 31.825 1.972 20.938 0.00 0.00 +ATOM 8998 O WAT X2304 51.978 9.921 51.305 0.00 0.00 +ATOM 8999 H1 WAT X2304 52.321 10.122 50.434 0.00 0.00 +ATOM 9000 H2 WAT X2304 52.757 9.796 51.847 0.00 0.00 +ATOM 9001 O WAT X2305 65.653 19.220 29.651 0.00 0.00 +ATOM 9002 H1 WAT X2305 65.694 18.281 29.832 0.00 0.00 +ATOM 9003 H2 WAT X2305 66.504 19.555 29.933 0.00 0.00 +ATOM 9004 O WAT X2306 27.022 62.381 45.567 0.00 0.00 +ATOM 9005 H1 WAT X2306 27.111 63.322 45.715 0.00 0.00 +ATOM 9006 H2 WAT X2306 27.889 62.025 45.759 0.00 0.00 +ATOM 9007 O WAT X2307 62.261 21.490 55.001 0.00 0.00 +ATOM 9008 H1 WAT X2307 61.956 22.180 55.591 0.00 0.00 +ATOM 9009 H2 WAT X2307 61.616 21.478 54.293 0.00 0.00 +ATOM 9010 O WAT X2308 21.164 60.777 50.153 0.00 0.00 +ATOM 9011 H1 WAT X2308 20.861 60.165 50.825 0.00 0.00 +ATOM 9012 H2 WAT X2308 21.795 61.336 50.606 0.00 0.00 +ATOM 9013 O WAT X2309 41.811 18.493 45.414 0.00 0.00 +ATOM 9014 H1 WAT X2309 42.628 18.016 45.560 0.00 0.00 +ATOM 9015 H2 WAT X2309 41.397 18.040 44.679 0.00 0.00 +ATOM 9016 O WAT X2310 5.576 61.469 39.540 0.00 0.00 +ATOM 9017 H1 WAT X2310 6.405 61.854 39.825 0.00 0.00 +ATOM 9018 H2 WAT X2310 5.831 60.749 38.964 0.00 0.00 +ATOM 9019 O WAT X2311 43.852 56.992 10.470 0.00 0.00 +ATOM 9020 H1 WAT X2311 44.582 56.388 10.330 0.00 0.00 +ATOM 9021 H2 WAT X2311 44.114 57.794 10.018 0.00 0.00 +ATOM 9022 O WAT X2312 62.914 18.002 38.522 0.00 0.00 +ATOM 9023 H1 WAT X2312 63.530 18.710 38.713 0.00 0.00 +ATOM 9024 H2 WAT X2312 62.111 18.254 38.977 0.00 0.00 +ATOM 9025 O WAT X2313 6.393 5.200 37.948 0.00 0.00 +ATOM 9026 H1 WAT X2313 5.996 4.350 37.759 0.00 0.00 +ATOM 9027 H2 WAT X2313 5.651 5.800 38.023 0.00 0.00 +ATOM 9028 O WAT X2314 15.660 50.333 50.994 0.00 0.00 +ATOM 9029 H1 WAT X2314 15.479 51.257 51.167 0.00 0.00 +ATOM 9030 H2 WAT X2314 16.199 50.052 51.733 0.00 0.00 +ATOM 9031 O WAT X2315 46.261 47.277 18.157 0.00 0.00 +ATOM 9032 H1 WAT X2315 45.549 47.477 17.548 0.00 0.00 +ATOM 9033 H2 WAT X2315 46.089 46.379 18.438 0.00 0.00 +ATOM 9034 O WAT X2316 1.261 20.357 25.040 0.00 0.00 +ATOM 9035 H1 WAT X2316 2.022 20.875 24.776 0.00 0.00 +ATOM 9036 H2 WAT X2316 1.318 19.561 24.511 0.00 0.00 +ATOM 9037 O WAT X2317 39.517 59.468 49.706 0.00 0.00 +ATOM 9038 H1 WAT X2317 39.243 60.372 49.548 0.00 0.00 +ATOM 9039 H2 WAT X2317 39.540 59.389 50.660 0.00 0.00 +ATOM 9040 O WAT X2318 67.585 18.114 46.993 0.00 0.00 +ATOM 9041 H1 WAT X2318 68.104 18.687 47.556 0.00 0.00 +ATOM 9042 H2 WAT X2318 66.688 18.210 47.313 0.00 0.00 +ATOM 9043 O WAT X2319 10.956 42.201 34.168 0.00 0.00 +ATOM 9044 H1 WAT X2319 10.044 42.369 33.931 0.00 0.00 +ATOM 9045 H2 WAT X2319 11.427 42.982 33.876 0.00 0.00 +ATOM 9046 O WAT X2320 70.189 60.329 36.498 0.00 0.00 +ATOM 9047 H1 WAT X2320 69.476 60.638 35.938 0.00 0.00 +ATOM 9048 H2 WAT X2320 69.770 60.150 37.340 0.00 0.00 +ATOM 9049 O WAT X2321 67.968 13.299 10.528 0.00 0.00 +ATOM 9050 H1 WAT X2321 67.523 14.146 10.491 0.00 0.00 +ATOM 9051 H2 WAT X2321 67.277 12.658 10.360 0.00 0.00 +ATOM 9052 O WAT X2322 72.255 43.856 43.571 0.00 0.00 +ATOM 9053 H1 WAT X2322 72.565 44.762 43.556 0.00 0.00 +ATOM 9054 H2 WAT X2322 71.533 43.861 44.200 0.00 0.00 +ATOM 9055 O WAT X2323 63.866 58.803 19.540 0.00 0.00 +ATOM 9056 H1 WAT X2323 63.886 59.680 19.157 0.00 0.00 +ATOM 9057 H2 WAT X2323 64.729 58.696 19.939 0.00 0.00 +ATOM 9058 O WAT X2324 18.630 23.235 34.240 0.00 0.00 +ATOM 9059 H1 WAT X2324 18.064 23.112 35.003 0.00 0.00 +ATOM 9060 H2 WAT X2324 19.519 23.155 34.586 0.00 0.00 +ATOM 9061 O WAT X2325 5.153 26.249 47.241 0.00 0.00 +ATOM 9062 H1 WAT X2325 4.724 25.467 47.588 0.00 0.00 +ATOM 9063 H2 WAT X2325 4.746 26.386 46.385 0.00 0.00 +ATOM 9064 O WAT X2326 7.371 32.662 56.433 0.00 0.00 +ATOM 9065 H1 WAT X2326 8.302 32.614 56.653 0.00 0.00 +ATOM 9066 H2 WAT X2326 7.142 31.772 56.166 0.00 0.00 +ATOM 9067 O WAT X2327 43.907 46.506 35.662 0.00 0.00 +ATOM 9068 H1 WAT X2327 43.082 46.148 35.988 0.00 0.00 +ATOM 9069 H2 WAT X2327 43.792 46.545 34.712 0.00 0.00 +ATOM 9070 O WAT X2328 49.445 13.651 20.178 0.00 0.00 +ATOM 9071 H1 WAT X2328 49.667 14.008 21.038 0.00 0.00 +ATOM 9072 H2 WAT X2328 48.948 14.348 19.751 0.00 0.00 +ATOM 9073 O WAT X2329 68.394 8.659 41.106 0.00 0.00 +ATOM 9074 H1 WAT X2329 68.688 8.137 41.852 0.00 0.00 +ATOM 9075 H2 WAT X2329 68.820 9.508 41.225 0.00 0.00 +ATOM 9076 O WAT X2330 68.155 42.474 31.936 0.00 0.00 +ATOM 9077 H1 WAT X2330 68.714 42.179 31.217 0.00 0.00 +ATOM 9078 H2 WAT X2330 67.356 41.954 31.845 0.00 0.00 +ATOM 9079 O WAT X2331 75.780 46.669 39.294 0.00 0.00 +ATOM 9080 H1 WAT X2331 75.595 46.829 38.368 0.00 0.00 +ATOM 9081 H2 WAT X2331 76.115 47.505 39.619 0.00 0.00 +ATOM 9082 O WAT X2332 11.908 9.502 5.359 0.00 0.00 +ATOM 9083 H1 WAT X2332 11.691 10.434 5.370 0.00 0.00 +ATOM 9084 H2 WAT X2332 12.812 9.463 5.671 0.00 0.00 +ATOM 9085 O WAT X2333 3.946 36.047 37.265 0.00 0.00 +ATOM 9086 H1 WAT X2333 3.559 35.267 37.664 0.00 0.00 +ATOM 9087 H2 WAT X2333 3.199 36.529 36.910 0.00 0.00 +ATOM 9088 O WAT X2334 13.717 21.400 39.433 0.00 0.00 +ATOM 9089 H1 WAT X2334 12.901 21.049 39.789 0.00 0.00 +ATOM 9090 H2 WAT X2334 14.404 20.984 39.953 0.00 0.00 +ATOM 9091 O WAT X2335 1.350 6.956 42.007 0.00 0.00 +ATOM 9092 H1 WAT X2335 1.862 6.225 41.660 0.00 0.00 +ATOM 9093 H2 WAT X2335 2.000 7.544 42.390 0.00 0.00 +ATOM 9094 O WAT X2336 2.122 60.811 32.013 0.00 0.00 +ATOM 9095 H1 WAT X2336 1.549 61.195 32.677 0.00 0.00 +ATOM 9096 H2 WAT X2336 1.637 60.907 31.193 0.00 0.00 +ATOM 9097 O WAT X2337 49.926 20.124 23.869 0.00 0.00 +ATOM 9098 H1 WAT X2337 50.358 19.958 23.031 0.00 0.00 +ATOM 9099 H2 WAT X2337 49.908 21.078 23.943 0.00 0.00 +ATOM 9100 O WAT X2338 44.094 24.637 9.607 0.00 0.00 +ATOM 9101 H1 WAT X2338 44.506 23.776 9.676 0.00 0.00 +ATOM 9102 H2 WAT X2338 44.148 25.001 10.491 0.00 0.00 +ATOM 9103 O WAT X2339 51.079 8.092 37.713 0.00 0.00 +ATOM 9104 H1 WAT X2339 50.671 7.284 37.401 0.00 0.00 +ATOM 9105 H2 WAT X2339 50.353 8.710 37.797 0.00 0.00 +ATOM 9106 O WAT X2340 32.862 4.123 43.099 0.00 0.00 +ATOM 9107 H1 WAT X2340 33.663 3.762 43.478 0.00 0.00 +ATOM 9108 H2 WAT X2340 33.072 5.040 42.923 0.00 0.00 +ATOM 9109 O WAT X2341 19.416 55.834 47.130 0.00 0.00 +ATOM 9110 H1 WAT X2341 20.113 55.561 46.535 0.00 0.00 +ATOM 9111 H2 WAT X2341 19.875 56.205 47.883 0.00 0.00 +ATOM 9112 O WAT X2342 41.296 0.185 13.362 0.00 0.00 +ATOM 9113 H1 WAT X2342 41.650 0.861 12.784 0.00 0.00 +ATOM 9114 H2 WAT X2342 41.861 -0.573 13.219 0.00 0.00 +ATOM 9115 O WAT X2343 26.959 6.808 38.172 0.00 0.00 +ATOM 9116 H1 WAT X2343 26.751 7.045 37.268 0.00 0.00 +ATOM 9117 H2 WAT X2343 26.193 7.087 38.675 0.00 0.00 +ATOM 9118 O WAT X2344 67.778 9.572 27.737 0.00 0.00 +ATOM 9119 H1 WAT X2344 67.369 8.740 27.976 0.00 0.00 +ATOM 9120 H2 WAT X2344 68.715 9.379 27.705 0.00 0.00 +ATOM 9121 O WAT X2345 41.387 61.155 35.738 0.00 0.00 +ATOM 9122 H1 WAT X2345 40.488 61.463 35.623 0.00 0.00 +ATOM 9123 H2 WAT X2345 41.458 60.399 35.155 0.00 0.00 +ATOM 9124 O WAT X2346 8.298 29.176 21.874 0.00 0.00 +ATOM 9125 H1 WAT X2346 7.761 29.691 22.477 0.00 0.00 +ATOM 9126 H2 WAT X2346 8.689 29.824 21.288 0.00 0.00 +ATOM 9127 O WAT X2347 21.120 20.588 32.818 0.00 0.00 +ATOM 9128 H1 WAT X2347 21.108 19.676 33.108 0.00 0.00 +ATOM 9129 H2 WAT X2347 21.021 20.539 31.868 0.00 0.00 +ATOM 9130 O WAT X2348 54.817 29.154 54.847 0.00 0.00 +ATOM 9131 H1 WAT X2348 55.650 29.425 55.234 0.00 0.00 +ATOM 9132 H2 WAT X2348 54.245 28.996 55.599 0.00 0.00 +ATOM 9133 O WAT X2349 63.545 8.899 33.658 0.00 0.00 +ATOM 9134 H1 WAT X2349 64.299 9.486 33.715 0.00 0.00 +ATOM 9135 H2 WAT X2349 63.682 8.264 34.362 0.00 0.00 +ATOM 9136 O WAT X2350 54.923 19.083 54.811 0.00 0.00 +ATOM 9137 H1 WAT X2350 55.293 18.240 54.549 0.00 0.00 +ATOM 9138 H2 WAT X2350 55.622 19.714 54.644 0.00 0.00 +ATOM 9139 O WAT X2351 39.132 35.590 51.221 0.00 0.00 +ATOM 9140 H1 WAT X2351 38.313 35.096 51.182 0.00 0.00 +ATOM 9141 H2 WAT X2351 39.104 36.033 52.069 0.00 0.00 +ATOM 9142 O WAT X2352 47.339 43.674 7.375 0.00 0.00 +ATOM 9143 H1 WAT X2352 47.824 43.670 6.550 0.00 0.00 +ATOM 9144 H2 WAT X2352 47.905 43.206 7.988 0.00 0.00 +ATOM 9145 O WAT X2353 51.900 47.513 42.930 0.00 0.00 +ATOM 9146 H1 WAT X2353 52.778 47.880 42.829 0.00 0.00 +ATOM 9147 H2 WAT X2353 51.785 46.954 42.161 0.00 0.00 +ATOM 9148 O WAT X2354 10.344 10.073 40.410 0.00 0.00 +ATOM 9149 H1 WAT X2354 10.350 9.456 41.142 0.00 0.00 +ATOM 9150 H2 WAT X2354 10.760 10.862 40.759 0.00 0.00 +ATOM 9151 O WAT X2355 54.523 48.585 52.267 0.00 0.00 +ATOM 9152 H1 WAT X2355 54.409 49.491 51.979 0.00 0.00 +ATOM 9153 H2 WAT X2355 55.111 48.646 53.020 0.00 0.00 +ATOM 9154 O WAT X2356 3.752 42.483 38.756 0.00 0.00 +ATOM 9155 H1 WAT X2356 3.922 42.250 39.669 0.00 0.00 +ATOM 9156 H2 WAT X2356 4.517 42.159 38.280 0.00 0.00 +ATOM 9157 O WAT X2357 8.845 2.027 56.145 0.00 0.00 +ATOM 9158 H1 WAT X2357 8.925 1.893 55.201 0.00 0.00 +ATOM 9159 H2 WAT X2357 8.004 2.472 56.253 0.00 0.00 +ATOM 9160 O WAT X2358 39.512 51.546 24.875 0.00 0.00 +ATOM 9161 H1 WAT X2358 39.704 51.508 25.812 0.00 0.00 +ATOM 9162 H2 WAT X2358 39.911 50.754 24.516 0.00 0.00 +ATOM 9163 O WAT X2359 32.600 47.777 40.947 0.00 0.00 +ATOM 9164 H1 WAT X2359 32.969 47.122 41.539 0.00 0.00 +ATOM 9165 H2 WAT X2359 32.015 47.280 40.375 0.00 0.00 +ATOM 9166 O WAT X2360 39.840 40.395 35.307 0.00 0.00 +ATOM 9167 H1 WAT X2360 40.311 39.569 35.419 0.00 0.00 +ATOM 9168 H2 WAT X2360 39.193 40.400 36.012 0.00 0.00 +ATOM 9169 O WAT X2361 69.584 56.131 52.413 0.00 0.00 +ATOM 9170 H1 WAT X2361 70.513 55.918 52.509 0.00 0.00 +ATOM 9171 H2 WAT X2361 69.313 55.666 51.622 0.00 0.00 +ATOM 9172 O WAT X2362 74.666 33.555 26.407 0.00 0.00 +ATOM 9173 H1 WAT X2362 73.789 33.235 26.193 0.00 0.00 +ATOM 9174 H2 WAT X2362 75.041 33.808 25.563 0.00 0.00 +ATOM 9175 O WAT X2363 31.945 49.074 55.793 0.00 0.00 +ATOM 9176 H1 WAT X2363 32.799 49.346 55.455 0.00 0.00 +ATOM 9177 H2 WAT X2363 31.553 48.573 55.077 0.00 0.00 +ATOM 9178 O WAT X2364 14.618 41.199 48.083 0.00 0.00 +ATOM 9179 H1 WAT X2364 14.224 40.374 48.369 0.00 0.00 +ATOM 9180 H2 WAT X2364 15.246 40.942 47.408 0.00 0.00 +ATOM 9181 O WAT X2365 54.204 58.874 20.910 0.00 0.00 +ATOM 9182 H1 WAT X2365 54.583 59.742 21.051 0.00 0.00 +ATOM 9183 H2 WAT X2365 53.259 59.024 20.894 0.00 0.00 +ATOM 9184 O WAT X2366 46.244 6.514 18.166 0.00 0.00 +ATOM 9185 H1 WAT X2366 45.733 6.778 17.401 0.00 0.00 +ATOM 9186 H2 WAT X2366 47.147 6.734 17.939 0.00 0.00 +ATOM 9187 O WAT X2367 78.158 41.885 47.589 0.00 0.00 +ATOM 9188 H1 WAT X2367 77.357 41.390 47.763 0.00 0.00 +ATOM 9189 H2 WAT X2367 78.142 42.599 48.227 0.00 0.00 +ATOM 9190 O WAT X2368 55.883 60.701 29.518 0.00 0.00 +ATOM 9191 H1 WAT X2368 56.058 59.862 29.943 0.00 0.00 +ATOM 9192 H2 WAT X2368 56.735 61.137 29.491 0.00 0.00 +ATOM 9193 O WAT X2369 14.879 3.397 32.111 0.00 0.00 +ATOM 9194 H1 WAT X2369 15.492 3.930 32.617 0.00 0.00 +ATOM 9195 H2 WAT X2369 14.717 2.631 32.662 0.00 0.00 +ATOM 9196 O WAT X2370 22.867 6.126 5.006 0.00 0.00 +ATOM 9197 H1 WAT X2370 22.618 5.920 4.105 0.00 0.00 +ATOM 9198 H2 WAT X2370 23.259 5.318 5.337 0.00 0.00 +ATOM 9199 O WAT X2371 72.784 46.518 25.842 0.00 0.00 +ATOM 9200 H1 WAT X2371 71.829 46.464 25.804 0.00 0.00 +ATOM 9201 H2 WAT X2371 72.992 47.367 25.454 0.00 0.00 +ATOM 9202 O WAT X2372 55.280 20.310 20.982 0.00 0.00 +ATOM 9203 H1 WAT X2372 55.855 20.144 21.729 0.00 0.00 +ATOM 9204 H2 WAT X2372 54.412 20.046 21.285 0.00 0.00 +ATOM 9205 O WAT X2373 66.723 0.515 7.216 0.00 0.00 +ATOM 9206 H1 WAT X2373 67.287 0.044 7.830 0.00 0.00 +ATOM 9207 H2 WAT X2373 66.669 1.402 7.572 0.00 0.00 +ATOM 9208 O WAT X2374 72.301 44.635 50.398 0.00 0.00 +ATOM 9209 H1 WAT X2374 73.254 44.578 50.468 0.00 0.00 +ATOM 9210 H2 WAT X2374 72.146 45.403 49.848 0.00 0.00 +ATOM 9211 O WAT X2375 60.639 36.575 38.561 0.00 0.00 +ATOM 9212 H1 WAT X2375 59.902 36.064 38.894 0.00 0.00 +ATOM 9213 H2 WAT X2375 60.702 37.322 39.157 0.00 0.00 +ATOM 9214 O WAT X2376 53.002 7.895 29.895 0.00 0.00 +ATOM 9215 H1 WAT X2376 53.174 8.832 29.988 0.00 0.00 +ATOM 9216 H2 WAT X2376 53.276 7.518 30.731 0.00 0.00 +ATOM 9217 O WAT X2377 72.609 32.878 58.217 0.00 0.00 +ATOM 9218 H1 WAT X2377 72.132 33.036 57.402 0.00 0.00 +ATOM 9219 H2 WAT X2377 73.366 33.461 58.169 0.00 0.00 +ATOM 9220 O WAT X2378 36.139 21.827 12.983 0.00 0.00 +ATOM 9221 H1 WAT X2378 35.411 21.617 13.566 0.00 0.00 +ATOM 9222 H2 WAT X2378 35.981 22.734 12.718 0.00 0.00 +ATOM 9223 O WAT X2379 14.142 38.521 48.114 0.00 0.00 +ATOM 9224 H1 WAT X2379 13.862 38.223 48.979 0.00 0.00 +ATOM 9225 H2 WAT X2379 13.491 38.157 47.513 0.00 0.00 +ATOM 9226 O WAT X2380 0.668 1.129 41.538 0.00 0.00 +ATOM 9227 H1 WAT X2380 0.265 0.270 41.662 0.00 0.00 +ATOM 9228 H2 WAT X2380 1.043 1.343 42.392 0.00 0.00 +ATOM 9229 O WAT X2381 43.822 59.531 13.312 0.00 0.00 +ATOM 9230 H1 WAT X2381 43.702 60.245 13.938 0.00 0.00 +ATOM 9231 H2 WAT X2381 42.934 59.237 13.109 0.00 0.00 +ATOM 9232 O WAT X2382 63.853 38.054 13.724 0.00 0.00 +ATOM 9233 H1 WAT X2382 64.429 38.147 12.965 0.00 0.00 +ATOM 9234 H2 WAT X2382 63.275 38.817 13.681 0.00 0.00 +ATOM 9235 O WAT X2383 47.726 56.293 41.249 0.00 0.00 +ATOM 9236 H1 WAT X2383 46.884 56.644 40.959 0.00 0.00 +ATOM 9237 H2 WAT X2383 48.329 56.496 40.533 0.00 0.00 +ATOM 9238 O WAT X2384 16.514 1.288 54.229 0.00 0.00 +ATOM 9239 H1 WAT X2384 16.556 1.293 55.185 0.00 0.00 +ATOM 9240 H2 WAT X2384 16.286 0.386 54.004 0.00 0.00 +ATOM 9241 O WAT X2385 72.271 24.867 42.239 0.00 0.00 +ATOM 9242 H1 WAT X2385 72.280 25.443 43.003 0.00 0.00 +ATOM 9243 H2 WAT X2385 71.897 24.047 42.562 0.00 0.00 +ATOM 9244 O WAT X2386 51.755 26.947 3.123 0.00 0.00 +ATOM 9245 H1 WAT X2386 51.702 27.564 3.854 0.00 0.00 +ATOM 9246 H2 WAT X2386 51.424 26.123 3.481 0.00 0.00 +ATOM 9247 O WAT X2387 46.695 15.501 13.571 0.00 0.00 +ATOM 9248 H1 WAT X2387 46.273 16.184 13.049 0.00 0.00 +ATOM 9249 H2 WAT X2387 47.590 15.462 13.235 0.00 0.00 +ATOM 9250 O WAT X2388 44.952 60.143 44.678 0.00 0.00 +ATOM 9251 H1 WAT X2388 44.132 60.520 44.995 0.00 0.00 +ATOM 9252 H2 WAT X2388 45.554 60.222 45.419 0.00 0.00 +ATOM 9253 O WAT X2389 40.041 37.200 9.737 0.00 0.00 +ATOM 9254 H1 WAT X2389 40.719 37.871 9.817 0.00 0.00 +ATOM 9255 H2 WAT X2389 39.674 37.123 10.617 0.00 0.00 +ATOM 9256 O WAT X2390 63.178 1.827 49.312 0.00 0.00 +ATOM 9257 H1 WAT X2390 63.893 1.456 49.828 0.00 0.00 +ATOM 9258 H2 WAT X2390 62.634 1.075 49.078 0.00 0.00 +ATOM 9259 O WAT X2391 59.690 51.822 2.110 0.00 0.00 +ATOM 9260 H1 WAT X2391 60.321 52.381 1.656 0.00 0.00 +ATOM 9261 H2 WAT X2391 59.723 50.990 1.637 0.00 0.00 +ATOM 9262 O WAT X2392 19.237 5.400 29.283 0.00 0.00 +ATOM 9263 H1 WAT X2392 19.292 5.386 30.239 0.00 0.00 +ATOM 9264 H2 WAT X2392 18.594 4.725 29.070 0.00 0.00 +ATOM 9265 O WAT X2393 72.539 17.014 21.275 0.00 0.00 +ATOM 9266 H1 WAT X2393 72.015 17.039 20.475 0.00 0.00 +ATOM 9267 H2 WAT X2393 72.193 17.729 21.810 0.00 0.00 +ATOM 9268 O WAT X2394 18.846 42.686 25.988 0.00 0.00 +ATOM 9269 H1 WAT X2394 18.815 43.506 26.482 0.00 0.00 +ATOM 9270 H2 WAT X2394 18.324 42.859 25.205 0.00 0.00 +ATOM 9271 O WAT X2395 0.326 6.081 39.076 0.00 0.00 +ATOM 9272 H1 WAT X2395 0.537 5.157 38.937 0.00 0.00 +ATOM 9273 H2 WAT X2395 -0.495 6.067 39.568 0.00 0.00 +ATOM 9274 O WAT X2396 61.165 0.034 25.280 0.00 0.00 +ATOM 9275 H1 WAT X2396 60.976 0.970 25.212 0.00 0.00 +ATOM 9276 H2 WAT X2396 60.600 -0.373 24.623 0.00 0.00 +ATOM 9277 O WAT X2397 74.901 59.927 42.695 0.00 0.00 +ATOM 9278 H1 WAT X2397 74.289 60.521 43.130 0.00 0.00 +ATOM 9279 H2 WAT X2397 75.567 59.742 43.357 0.00 0.00 +ATOM 9280 O WAT X2398 72.379 29.976 37.549 0.00 0.00 +ATOM 9281 H1 WAT X2398 72.877 29.813 38.349 0.00 0.00 +ATOM 9282 H2 WAT X2398 71.497 30.187 37.855 0.00 0.00 +ATOM 9283 O WAT X2399 20.767 30.131 52.259 0.00 0.00 +ATOM 9284 H1 WAT X2399 20.498 31.029 52.455 0.00 0.00 +ATOM 9285 H2 WAT X2399 21.717 30.182 52.160 0.00 0.00 +ATOM 9286 O WAT X2400 76.822 37.394 1.805 0.00 0.00 +ATOM 9287 H1 WAT X2400 76.859 36.672 1.177 0.00 0.00 +ATOM 9288 H2 WAT X2400 77.217 37.039 2.601 0.00 0.00 +ATOM 9289 O WAT X2401 60.930 50.105 47.104 0.00 0.00 +ATOM 9290 H1 WAT X2401 61.783 50.405 46.789 0.00 0.00 +ATOM 9291 H2 WAT X2401 61.110 49.735 47.969 0.00 0.00 +ATOM 9292 O WAT X2402 69.876 55.475 33.589 0.00 0.00 +ATOM 9293 H1 WAT X2402 69.236 55.015 34.132 0.00 0.00 +ATOM 9294 H2 WAT X2402 69.931 56.350 33.973 0.00 0.00 +ATOM 9295 O WAT X2403 5.415 27.555 3.516 0.00 0.00 +ATOM 9296 H1 WAT X2403 4.489 27.778 3.611 0.00 0.00 +ATOM 9297 H2 WAT X2403 5.413 26.662 3.173 0.00 0.00 +ATOM 9298 O WAT X2404 23.485 47.921 44.801 0.00 0.00 +ATOM 9299 H1 WAT X2404 22.579 47.618 44.744 0.00 0.00 +ATOM 9300 H2 WAT X2404 23.428 48.763 45.252 0.00 0.00 +ATOM 9301 O WAT X2405 45.285 3.226 32.812 0.00 0.00 +ATOM 9302 H1 WAT X2405 45.152 2.349 33.172 0.00 0.00 +ATOM 9303 H2 WAT X2405 45.514 3.076 31.895 0.00 0.00 +ATOM 9304 O WAT X2406 75.880 50.503 12.556 0.00 0.00 +ATOM 9305 H1 WAT X2406 76.291 50.721 11.720 0.00 0.00 +ATOM 9306 H2 WAT X2406 74.998 50.869 12.492 0.00 0.00 +ATOM 9307 O WAT X2407 64.990 20.066 42.580 0.00 0.00 +ATOM 9308 H1 WAT X2407 64.298 20.178 41.928 0.00 0.00 +ATOM 9309 H2 WAT X2407 65.404 20.926 42.640 0.00 0.00 +ATOM 9310 O WAT X2408 42.510 44.158 7.774 0.00 0.00 +ATOM 9311 H1 WAT X2408 42.572 43.770 8.647 0.00 0.00 +ATOM 9312 H2 WAT X2408 43.366 44.563 7.630 0.00 0.00 +ATOM 9313 O WAT X2409 49.796 47.049 44.474 0.00 0.00 +ATOM 9314 H1 WAT X2409 50.527 47.332 43.924 0.00 0.00 +ATOM 9315 H2 WAT X2409 49.439 47.860 44.836 0.00 0.00 +ATOM 9316 O WAT X2410 38.661 22.168 3.210 0.00 0.00 +ATOM 9317 H1 WAT X2410 37.921 22.634 2.821 0.00 0.00 +ATOM 9318 H2 WAT X2410 39.319 22.847 3.360 0.00 0.00 +ATOM 9319 O WAT X2411 19.417 36.138 17.215 0.00 0.00 +ATOM 9320 H1 WAT X2411 20.216 35.843 17.650 0.00 0.00 +ATOM 9321 H2 WAT X2411 19.501 35.818 16.316 0.00 0.00 +ATOM 9322 O WAT X2412 71.015 1.964 17.013 0.00 0.00 +ATOM 9323 H1 WAT X2412 71.446 2.629 17.550 0.00 0.00 +ATOM 9324 H2 WAT X2412 71.314 1.131 17.377 0.00 0.00 +ATOM 9325 O WAT X2413 5.659 24.233 19.282 0.00 0.00 +ATOM 9326 H1 WAT X2413 4.928 24.176 18.666 0.00 0.00 +ATOM 9327 H2 WAT X2413 5.772 23.339 19.604 0.00 0.00 +ATOM 9328 O WAT X2414 62.197 49.988 29.613 0.00 0.00 +ATOM 9329 H1 WAT X2414 62.677 49.279 30.040 0.00 0.00 +ATOM 9330 H2 WAT X2414 61.586 50.300 30.281 0.00 0.00 +ATOM 9331 O WAT X2415 10.125 32.442 9.158 0.00 0.00 +ATOM 9332 H1 WAT X2415 10.274 31.644 8.651 0.00 0.00 +ATOM 9333 H2 WAT X2415 10.543 32.271 10.002 0.00 0.00 +ATOM 9334 O WAT X2416 12.316 57.862 47.026 0.00 0.00 +ATOM 9335 H1 WAT X2416 12.876 57.650 47.772 0.00 0.00 +ATOM 9336 H2 WAT X2416 11.641 57.183 47.033 0.00 0.00 +ATOM 9337 O WAT X2417 1.669 14.457 36.863 0.00 0.00 +ATOM 9338 H1 WAT X2417 0.809 14.113 36.623 0.00 0.00 +ATOM 9339 H2 WAT X2417 1.810 14.146 37.757 0.00 0.00 +ATOM 9340 O WAT X2418 74.706 34.115 50.423 0.00 0.00 +ATOM 9341 H1 WAT X2418 74.845 34.057 51.368 0.00 0.00 +ATOM 9342 H2 WAT X2418 75.541 34.430 50.077 0.00 0.00 +ATOM 9343 O WAT X2419 59.378 54.080 18.399 0.00 0.00 +ATOM 9344 H1 WAT X2419 59.044 53.394 18.979 0.00 0.00 +ATOM 9345 H2 WAT X2419 60.187 53.716 18.039 0.00 0.00 +ATOM 9346 O WAT X2420 20.694 40.132 49.060 0.00 0.00 +ATOM 9347 H1 WAT X2420 20.021 40.746 48.767 0.00 0.00 +ATOM 9348 H2 WAT X2420 21.376 40.187 48.390 0.00 0.00 +ATOM 9349 O WAT X2421 52.568 18.772 9.054 0.00 0.00 +ATOM 9350 H1 WAT X2421 53.232 18.095 8.919 0.00 0.00 +ATOM 9351 H2 WAT X2421 52.123 18.513 9.861 0.00 0.00 +ATOM 9352 O WAT X2422 39.808 10.683 30.551 0.00 0.00 +ATOM 9353 H1 WAT X2422 39.689 11.355 31.222 0.00 0.00 +ATOM 9354 H2 WAT X2422 40.420 11.073 29.927 0.00 0.00 +ATOM 9355 O WAT X2423 74.433 61.142 2.600 0.00 0.00 +ATOM 9356 H1 WAT X2423 74.060 62.017 2.493 0.00 0.00 +ATOM 9357 H2 WAT X2423 73.921 60.590 2.008 0.00 0.00 +ATOM 9358 O WAT X2424 53.950 53.533 27.114 0.00 0.00 +ATOM 9359 H1 WAT X2424 54.699 53.115 26.690 0.00 0.00 +ATOM 9360 H2 WAT X2424 54.125 54.471 27.041 0.00 0.00 +ATOM 9361 O WAT X2425 0.812 19.627 21.189 0.00 0.00 +ATOM 9362 H1 WAT X2425 1.169 19.081 20.488 0.00 0.00 +ATOM 9363 H2 WAT X2425 -0.053 19.257 21.364 0.00 0.00 +ATOM 9364 O WAT X2426 26.138 59.987 26.360 0.00 0.00 +ATOM 9365 H1 WAT X2426 26.601 60.630 26.897 0.00 0.00 +ATOM 9366 H2 WAT X2426 25.211 60.172 26.511 0.00 0.00 +ATOM 9367 O WAT X2427 37.307 44.350 13.995 0.00 0.00 +ATOM 9368 H1 WAT X2427 38.242 44.556 13.970 0.00 0.00 +ATOM 9369 H2 WAT X2427 37.213 43.758 14.742 0.00 0.00 +ATOM 9370 O WAT X2428 34.894 23.388 18.379 0.00 0.00 +ATOM 9371 H1 WAT X2428 35.005 22.494 18.703 0.00 0.00 +ATOM 9372 H2 WAT X2428 34.480 23.856 19.104 0.00 0.00 +ATOM 9373 O WAT X2429 47.495 3.162 29.584 0.00 0.00 +ATOM 9374 H1 WAT X2429 47.095 2.745 28.820 0.00 0.00 +ATOM 9375 H2 WAT X2429 48.128 2.520 29.903 0.00 0.00 +ATOM 9376 O WAT X2430 67.019 2.962 38.481 0.00 0.00 +ATOM 9377 H1 WAT X2430 67.595 3.195 37.753 0.00 0.00 +ATOM 9378 H2 WAT X2430 66.156 2.857 38.079 0.00 0.00 +ATOM 9379 O WAT X2431 10.833 57.670 43.870 0.00 0.00 +ATOM 9380 H1 WAT X2431 10.307 57.964 44.613 0.00 0.00 +ATOM 9381 H2 WAT X2431 11.663 57.393 44.258 0.00 0.00 +ATOM 9382 O WAT X2432 57.373 16.736 20.136 0.00 0.00 +ATOM 9383 H1 WAT X2432 57.608 16.209 19.372 0.00 0.00 +ATOM 9384 H2 WAT X2432 57.608 17.631 19.889 0.00 0.00 +ATOM 9385 O WAT X2433 38.706 0.562 42.279 0.00 0.00 +ATOM 9386 H1 WAT X2433 39.003 1.469 42.349 0.00 0.00 +ATOM 9387 H2 WAT X2433 37.766 0.630 42.111 0.00 0.00 +ATOM 9388 O WAT X2434 38.977 55.197 11.688 0.00 0.00 +ATOM 9389 H1 WAT X2434 38.878 54.833 10.808 0.00 0.00 +ATOM 9390 H2 WAT X2434 39.878 55.519 11.714 0.00 0.00 +ATOM 9391 O WAT X2435 55.360 2.249 53.257 0.00 0.00 +ATOM 9392 H1 WAT X2435 54.573 2.524 52.787 0.00 0.00 +ATOM 9393 H2 WAT X2435 55.872 3.052 53.357 0.00 0.00 +ATOM 9394 O WAT X2436 18.541 9.272 15.292 0.00 0.00 +ATOM 9395 H1 WAT X2436 17.658 9.297 14.922 0.00 0.00 +ATOM 9396 H2 WAT X2436 18.885 10.154 15.150 0.00 0.00 +ATOM 9397 O WAT X2437 46.917 10.768 2.967 0.00 0.00 +ATOM 9398 H1 WAT X2437 46.674 11.628 2.624 0.00 0.00 +ATOM 9399 H2 WAT X2437 47.682 10.512 2.452 0.00 0.00 +ATOM 9400 O WAT X2438 46.719 23.360 51.003 0.00 0.00 +ATOM 9401 H1 WAT X2438 46.614 23.534 50.068 0.00 0.00 +ATOM 9402 H2 WAT X2438 45.864 23.033 51.284 0.00 0.00 +ATOM 9403 O WAT X2439 2.383 6.528 22.143 0.00 0.00 +ATOM 9404 H1 WAT X2439 1.433 6.619 22.072 0.00 0.00 +ATOM 9405 H2 WAT X2439 2.529 5.586 22.230 0.00 0.00 +ATOM 9406 O WAT X2440 29.108 8.114 3.184 0.00 0.00 +ATOM 9407 H1 WAT X2440 29.006 7.264 2.757 0.00 0.00 +ATOM 9408 H2 WAT X2440 28.928 8.753 2.495 0.00 0.00 +ATOM 9409 O WAT X2441 68.129 51.302 34.859 0.00 0.00 +ATOM 9410 H1 WAT X2441 68.547 50.594 34.370 0.00 0.00 +ATOM 9411 H2 WAT X2441 67.460 50.867 35.387 0.00 0.00 +ATOM 9412 O WAT X2442 63.653 20.754 6.607 0.00 0.00 +ATOM 9413 H1 WAT X2442 63.942 19.842 6.646 0.00 0.00 +ATOM 9414 H2 WAT X2442 64.419 21.235 6.294 0.00 0.00 +ATOM 9415 O WAT X2443 19.775 39.560 7.775 0.00 0.00 +ATOM 9416 H1 WAT X2443 19.145 38.862 7.596 0.00 0.00 +ATOM 9417 H2 WAT X2443 20.357 39.193 8.441 0.00 0.00 +ATOM 9418 O WAT X2444 45.099 39.487 41.571 0.00 0.00 +ATOM 9419 H1 WAT X2444 45.209 40.361 41.944 0.00 0.00 +ATOM 9420 H2 WAT X2444 45.219 38.893 42.312 0.00 0.00 +ATOM 9421 O WAT X2445 5.178 9.543 56.736 0.00 0.00 +ATOM 9422 H1 WAT X2445 4.680 8.987 57.335 0.00 0.00 +ATOM 9423 H2 WAT X2445 4.515 10.071 56.292 0.00 0.00 +ATOM 9424 O WAT X2446 57.600 52.950 50.951 0.00 0.00 +ATOM 9425 H1 WAT X2446 57.128 52.773 51.765 0.00 0.00 +ATOM 9426 H2 WAT X2446 57.016 53.525 50.456 0.00 0.00 +ATOM 9427 O WAT X2447 16.746 34.196 27.334 0.00 0.00 +ATOM 9428 H1 WAT X2447 16.957 33.689 26.550 0.00 0.00 +ATOM 9429 H2 WAT X2447 15.914 33.834 27.636 0.00 0.00 +ATOM 9430 O WAT X2448 66.673 9.194 30.908 0.00 0.00 +ATOM 9431 H1 WAT X2448 67.423 8.617 31.054 0.00 0.00 +ATOM 9432 H2 WAT X2448 66.848 9.958 31.457 0.00 0.00 +ATOM 9433 O WAT X2449 15.854 47.464 43.548 0.00 0.00 +ATOM 9434 H1 WAT X2449 16.310 47.937 44.244 0.00 0.00 +ATOM 9435 H2 WAT X2449 16.527 46.908 43.155 0.00 0.00 +ATOM 9436 O WAT X2450 22.650 9.113 37.593 0.00 0.00 +ATOM 9437 H1 WAT X2450 22.197 8.270 37.636 0.00 0.00 +ATOM 9438 H2 WAT X2450 22.996 9.244 38.476 0.00 0.00 +ATOM 9439 O WAT X2451 11.667 15.879 3.933 0.00 0.00 +ATOM 9440 H1 WAT X2451 12.368 15.378 4.351 0.00 0.00 +ATOM 9441 H2 WAT X2451 10.875 15.622 4.405 0.00 0.00 +ATOM 9442 O WAT X2452 75.816 17.190 49.900 0.00 0.00 +ATOM 9443 H1 WAT X2452 76.677 16.844 50.136 0.00 0.00 +ATOM 9444 H2 WAT X2452 75.707 16.953 48.979 0.00 0.00 +ATOM 9445 O WAT X2453 33.820 24.713 2.957 0.00 0.00 +ATOM 9446 H1 WAT X2453 33.713 24.490 3.882 0.00 0.00 +ATOM 9447 H2 WAT X2453 33.212 25.439 2.814 0.00 0.00 +ATOM 9448 O WAT X2454 2.405 47.836 21.628 0.00 0.00 +ATOM 9449 H1 WAT X2454 3.334 48.056 21.560 0.00 0.00 +ATOM 9450 H2 WAT X2454 2.378 46.882 21.554 0.00 0.00 +ATOM 9451 O WAT X2455 8.548 20.222 40.390 0.00 0.00 +ATOM 9452 H1 WAT X2455 8.372 20.208 41.331 0.00 0.00 +ATOM 9453 H2 WAT X2455 8.468 21.143 40.145 0.00 0.00 +ATOM 9454 O WAT X2456 17.869 34.918 54.756 0.00 0.00 +ATOM 9455 H1 WAT X2456 18.668 34.576 55.157 0.00 0.00 +ATOM 9456 H2 WAT X2456 18.177 35.575 54.131 0.00 0.00 +ATOM 9457 O WAT X2457 58.046 6.112 36.340 0.00 0.00 +ATOM 9458 H1 WAT X2457 58.236 7.034 36.163 0.00 0.00 +ATOM 9459 H2 WAT X2457 58.693 5.857 36.998 0.00 0.00 +ATOM 9460 O WAT X2458 4.240 33.903 23.360 0.00 0.00 +ATOM 9461 H1 WAT X2458 4.114 33.381 24.153 0.00 0.00 +ATOM 9462 H2 WAT X2458 5.177 34.097 23.347 0.00 0.00 +ATOM 9463 O WAT X2459 78.131 45.539 40.995 0.00 0.00 +ATOM 9464 H1 WAT X2459 77.543 45.554 40.240 0.00 0.00 +ATOM 9465 H2 WAT X2459 78.150 44.621 41.265 0.00 0.00 +ATOM 9466 O WAT X2460 10.399 55.814 41.736 0.00 0.00 +ATOM 9467 H1 WAT X2460 11.197 56.216 41.391 0.00 0.00 +ATOM 9468 H2 WAT X2460 10.129 56.392 42.450 0.00 0.00 +ATOM 9469 O WAT X2461 67.873 49.422 22.116 0.00 0.00 +ATOM 9470 H1 WAT X2461 68.787 49.542 21.857 0.00 0.00 +ATOM 9471 H2 WAT X2461 67.544 48.742 21.528 0.00 0.00 +ATOM 9472 O WAT X2462 38.408 4.617 18.035 0.00 0.00 +ATOM 9473 H1 WAT X2462 38.573 4.319 18.929 0.00 0.00 +ATOM 9474 H2 WAT X2462 37.543 4.268 17.821 0.00 0.00 +ATOM 9475 O WAT X2463 62.379 9.978 4.004 0.00 0.00 +ATOM 9476 H1 WAT X2463 63.199 9.842 3.530 0.00 0.00 +ATOM 9477 H2 WAT X2463 62.160 9.116 4.358 0.00 0.00 +ATOM 9478 O WAT X2464 17.901 62.637 20.054 0.00 0.00 +ATOM 9479 H1 WAT X2464 18.564 62.431 19.395 0.00 0.00 +ATOM 9480 H2 WAT X2464 17.078 62.662 19.566 0.00 0.00 +ATOM 9481 O WAT X2465 60.543 31.517 0.608 0.00 0.00 +ATOM 9482 H1 WAT X2465 59.802 30.916 0.685 0.00 0.00 +ATOM 9483 H2 WAT X2465 61.130 31.095 -0.019 0.00 0.00 +ATOM 9484 O WAT X2466 75.935 53.062 36.911 0.00 0.00 +ATOM 9485 H1 WAT X2466 75.464 52.515 36.282 0.00 0.00 +ATOM 9486 H2 WAT X2466 76.187 52.460 37.611 0.00 0.00 +ATOM 9487 O WAT X2467 65.413 45.223 57.741 0.00 0.00 +ATOM 9488 H1 WAT X2467 64.776 45.909 57.541 0.00 0.00 +ATOM 9489 H2 WAT X2467 64.960 44.648 58.358 0.00 0.00 +ATOM 9490 O WAT X2468 46.932 46.557 46.282 0.00 0.00 +ATOM 9491 H1 WAT X2468 46.153 47.100 46.160 0.00 0.00 +ATOM 9492 H2 WAT X2468 47.660 47.121 46.020 0.00 0.00 +ATOM 9493 O WAT X2469 30.524 48.371 1.441 0.00 0.00 +ATOM 9494 H1 WAT X2469 31.413 48.042 1.306 0.00 0.00 +ATOM 9495 H2 WAT X2469 30.470 48.535 2.383 0.00 0.00 +ATOM 9496 O WAT X2470 58.975 13.360 16.815 0.00 0.00 +ATOM 9497 H1 WAT X2470 59.899 13.522 16.626 0.00 0.00 +ATOM 9498 H2 WAT X2470 58.654 12.886 16.048 0.00 0.00 +ATOM 9499 O WAT X2471 72.312 43.516 56.340 0.00 0.00 +ATOM 9500 H1 WAT X2471 71.789 43.548 55.539 0.00 0.00 +ATOM 9501 H2 WAT X2471 72.154 42.642 56.695 0.00 0.00 +ATOM 9502 O WAT X2472 6.916 57.062 15.551 0.00 0.00 +ATOM 9503 H1 WAT X2472 6.195 56.451 15.400 0.00 0.00 +ATOM 9504 H2 WAT X2472 7.373 57.107 14.711 0.00 0.00 +ATOM 9505 O WAT X2473 47.710 61.101 28.463 0.00 0.00 +ATOM 9506 H1 WAT X2473 47.692 62.032 28.238 0.00 0.00 +ATOM 9507 H2 WAT X2473 48.434 60.745 27.948 0.00 0.00 +ATOM 9508 O WAT X2474 37.090 50.141 36.286 0.00 0.00 +ATOM 9509 H1 WAT X2474 36.473 50.798 36.608 0.00 0.00 +ATOM 9510 H2 WAT X2474 37.626 49.922 37.048 0.00 0.00 +ATOM 9511 O WAT X2475 48.389 35.106 17.204 0.00 0.00 +ATOM 9512 H1 WAT X2475 48.724 35.986 17.375 0.00 0.00 +ATOM 9513 H2 WAT X2475 47.944 35.178 16.360 0.00 0.00 +ATOM 9514 O WAT X2476 3.033 48.212 18.685 0.00 0.00 +ATOM 9515 H1 WAT X2476 3.550 48.574 19.405 0.00 0.00 +ATOM 9516 H2 WAT X2476 3.679 47.811 18.104 0.00 0.00 +ATOM 9517 O WAT X2477 75.840 4.795 25.844 0.00 0.00 +ATOM 9518 H1 WAT X2477 75.110 5.266 26.246 0.00 0.00 +ATOM 9519 H2 WAT X2477 76.554 4.874 26.476 0.00 0.00 +ATOM 9520 O WAT X2478 71.474 52.420 41.325 0.00 0.00 +ATOM 9521 H1 WAT X2478 71.610 52.512 40.382 0.00 0.00 +ATOM 9522 H2 WAT X2478 70.836 53.100 41.542 0.00 0.00 +ATOM 9523 O WAT X2479 33.497 58.347 15.201 0.00 0.00 +ATOM 9524 H1 WAT X2479 33.396 59.293 15.098 0.00 0.00 +ATOM 9525 H2 WAT X2479 34.429 58.188 15.050 0.00 0.00 +ATOM 9526 O WAT X2480 42.421 44.524 50.033 0.00 0.00 +ATOM 9527 H1 WAT X2480 43.036 45.028 50.565 0.00 0.00 +ATOM 9528 H2 WAT X2480 42.429 43.649 50.421 0.00 0.00 +ATOM 9529 O WAT X2481 60.877 34.964 18.157 0.00 0.00 +ATOM 9530 H1 WAT X2481 61.167 34.516 17.362 0.00 0.00 +ATOM 9531 H2 WAT X2481 60.701 35.862 17.876 0.00 0.00 +ATOM 9532 O WAT X2482 44.084 16.426 0.851 0.00 0.00 +ATOM 9533 H1 WAT X2482 44.010 17.057 0.135 0.00 0.00 +ATOM 9534 H2 WAT X2482 44.280 15.595 0.418 0.00 0.00 +ATOM 9535 O WAT X2483 77.458 7.221 14.574 0.00 0.00 +ATOM 9536 H1 WAT X2483 77.901 6.403 14.800 0.00 0.00 +ATOM 9537 H2 WAT X2483 77.109 7.542 15.406 0.00 0.00 +ATOM 9538 O WAT X2484 67.183 28.664 47.008 0.00 0.00 +ATOM 9539 H1 WAT X2484 67.987 28.154 46.909 0.00 0.00 +ATOM 9540 H2 WAT X2484 66.492 28.007 47.090 0.00 0.00 +ATOM 9541 O WAT X2485 22.476 55.883 53.619 0.00 0.00 +ATOM 9542 H1 WAT X2485 23.108 56.431 53.152 0.00 0.00 +ATOM 9543 H2 WAT X2485 23.012 55.236 54.077 0.00 0.00 +ATOM 9544 O WAT X2486 69.530 7.629 43.226 0.00 0.00 +ATOM 9545 H1 WAT X2486 70.369 8.077 43.340 0.00 0.00 +ATOM 9546 H2 WAT X2486 69.766 6.715 43.069 0.00 0.00 +ATOM 9547 O WAT X2487 32.379 55.868 29.536 0.00 0.00 +ATOM 9548 H1 WAT X2487 31.735 55.309 29.971 0.00 0.00 +ATOM 9549 H2 WAT X2487 32.543 55.436 28.697 0.00 0.00 +ATOM 9550 O WAT X2488 49.692 4.260 3.964 0.00 0.00 +ATOM 9551 H1 WAT X2488 49.634 5.216 3.974 0.00 0.00 +ATOM 9552 H2 WAT X2488 50.026 4.031 4.830 0.00 0.00 +ATOM 9553 O WAT X2489 57.375 14.223 1.860 0.00 0.00 +ATOM 9554 H1 WAT X2489 56.457 14.250 1.589 0.00 0.00 +ATOM 9555 H2 WAT X2489 57.347 14.323 2.811 0.00 0.00 +ATOM 9556 O WAT X2490 4.970 16.661 15.458 0.00 0.00 +ATOM 9557 H1 WAT X2490 5.277 17.006 16.296 0.00 0.00 +ATOM 9558 H2 WAT X2490 5.566 15.938 15.264 0.00 0.00 +ATOM 9559 O WAT X2491 4.544 19.530 13.615 0.00 0.00 +ATOM 9560 H1 WAT X2491 5.109 19.987 12.993 0.00 0.00 +ATOM 9561 H2 WAT X2491 5.120 19.313 14.348 0.00 0.00 +ATOM 9562 O WAT X2492 17.213 16.322 54.490 0.00 0.00 +ATOM 9563 H1 WAT X2492 17.203 15.874 55.335 0.00 0.00 +ATOM 9564 H2 WAT X2492 18.034 16.814 54.490 0.00 0.00 +ATOM 9565 O WAT X2493 19.932 11.124 45.961 0.00 0.00 +ATOM 9566 H1 WAT X2493 20.470 11.872 46.220 0.00 0.00 +ATOM 9567 H2 WAT X2493 20.559 10.481 45.629 0.00 0.00 +ATOM 9568 O WAT X2494 6.297 29.939 18.534 0.00 0.00 +ATOM 9569 H1 WAT X2494 6.245 30.499 19.309 0.00 0.00 +ATOM 9570 H2 WAT X2494 6.601 29.095 18.868 0.00 0.00 +ATOM 9571 O WAT X2495 48.708 36.722 5.495 0.00 0.00 +ATOM 9572 H1 WAT X2495 48.685 37.191 4.661 0.00 0.00 +ATOM 9573 H2 WAT X2495 47.788 36.597 5.725 0.00 0.00 +ATOM 9574 O WAT X2496 21.001 46.100 10.437 0.00 0.00 +ATOM 9575 H1 WAT X2496 21.596 46.802 10.700 0.00 0.00 +ATOM 9576 H2 WAT X2496 20.129 46.492 10.492 0.00 0.00 +ATOM 9577 O WAT X2497 11.111 34.928 11.813 0.00 0.00 +ATOM 9578 H1 WAT X2497 11.321 34.787 12.736 0.00 0.00 +ATOM 9579 H2 WAT X2497 10.156 34.992 11.792 0.00 0.00 +ATOM 9580 O WAT X2498 13.921 38.986 11.035 0.00 0.00 +ATOM 9581 H1 WAT X2498 13.509 39.144 10.186 0.00 0.00 +ATOM 9582 H2 WAT X2498 13.830 39.815 11.504 0.00 0.00 +ATOM 9583 O WAT X2499 13.373 47.464 17.681 0.00 0.00 +ATOM 9584 H1 WAT X2499 13.667 47.942 18.456 0.00 0.00 +ATOM 9585 H2 WAT X2499 14.170 47.066 17.329 0.00 0.00 +ATOM 9586 O WAT X2500 42.034 24.957 48.001 0.00 0.00 +ATOM 9587 H1 WAT X2500 41.933 24.016 48.148 0.00 0.00 +ATOM 9588 H2 WAT X2500 41.156 25.315 48.129 0.00 0.00 +ATOM 9589 O WAT X2501 32.715 14.076 1.238 0.00 0.00 +ATOM 9590 H1 WAT X2501 33.362 14.772 1.357 0.00 0.00 +ATOM 9591 H2 WAT X2501 31.999 14.311 1.828 0.00 0.00 +ATOM 9592 O WAT X2502 61.052 39.805 37.388 0.00 0.00 +ATOM 9593 H1 WAT X2502 60.287 40.374 37.474 0.00 0.00 +ATOM 9594 H2 WAT X2502 61.460 40.076 36.565 0.00 0.00 +ATOM 9595 O WAT X2503 65.891 53.501 37.228 0.00 0.00 +ATOM 9596 H1 WAT X2503 65.431 52.781 36.795 0.00 0.00 +ATOM 9597 H2 WAT X2503 65.230 53.901 37.794 0.00 0.00 +ATOM 9598 O WAT X2504 5.959 34.732 3.382 0.00 0.00 +ATOM 9599 H1 WAT X2504 6.840 34.901 3.049 0.00 0.00 +ATOM 9600 H2 WAT X2504 6.064 34.698 4.333 0.00 0.00 +ATOM 9601 O WAT X2505 51.787 54.734 47.576 0.00 0.00 +ATOM 9602 H1 WAT X2505 51.651 55.000 48.486 0.00 0.00 +ATOM 9603 H2 WAT X2505 51.863 55.557 47.094 0.00 0.00 +ATOM 9604 O WAT X2506 36.030 16.115 14.913 0.00 0.00 +ATOM 9605 H1 WAT X2506 36.544 15.392 14.554 0.00 0.00 +ATOM 9606 H2 WAT X2506 36.027 16.774 14.218 0.00 0.00 +ATOM 9607 O WAT X2507 70.993 25.112 19.877 0.00 0.00 +ATOM 9608 H1 WAT X2507 70.803 24.854 18.975 0.00 0.00 +ATOM 9609 H2 WAT X2507 71.902 24.843 20.015 0.00 0.00 +ATOM 9610 O WAT X2508 29.488 16.359 51.173 0.00 0.00 +ATOM 9611 H1 WAT X2508 29.289 15.424 51.212 0.00 0.00 +ATOM 9612 H2 WAT X2508 28.870 16.709 50.532 0.00 0.00 +ATOM 9613 O WAT X2509 41.422 12.361 29.134 0.00 0.00 +ATOM 9614 H1 WAT X2509 41.324 13.242 28.773 0.00 0.00 +ATOM 9615 H2 WAT X2509 42.044 12.465 29.854 0.00 0.00 +ATOM 9616 O WAT X2510 59.553 38.221 21.820 0.00 0.00 +ATOM 9617 H1 WAT X2510 58.744 37.783 21.556 0.00 0.00 +ATOM 9618 H2 WAT X2510 59.387 39.149 21.656 0.00 0.00 +ATOM 9619 O WAT X2511 48.762 19.008 33.741 0.00 0.00 +ATOM 9620 H1 WAT X2511 48.042 18.407 33.930 0.00 0.00 +ATOM 9621 H2 WAT X2511 49.267 18.569 33.055 0.00 0.00 +ATOM 9622 O WAT X2512 15.981 3.989 8.554 0.00 0.00 +ATOM 9623 H1 WAT X2512 16.065 4.804 9.050 0.00 0.00 +ATOM 9624 H2 WAT X2512 16.784 3.506 8.749 0.00 0.00 +ATOM 9625 O WAT X2513 28.230 4.317 42.698 0.00 0.00 +ATOM 9626 H1 WAT X2513 28.503 3.896 41.883 0.00 0.00 +ATOM 9627 H2 WAT X2513 28.990 4.241 43.274 0.00 0.00 +ATOM 9628 O WAT X2514 1.357 57.931 26.645 0.00 0.00 +ATOM 9629 H1 WAT X2514 1.046 57.619 25.795 0.00 0.00 +ATOM 9630 H2 WAT X2514 1.050 58.836 26.695 0.00 0.00 +ATOM 9631 O WAT X2515 60.592 49.648 8.043 0.00 0.00 +ATOM 9632 H1 WAT X2515 60.345 49.763 8.961 0.00 0.00 +ATOM 9633 H2 WAT X2515 61.284 50.293 7.899 0.00 0.00 +ATOM 9634 O WAT X2516 64.049 41.291 37.003 0.00 0.00 +ATOM 9635 H1 WAT X2516 64.964 41.032 37.117 0.00 0.00 +ATOM 9636 H2 WAT X2516 63.874 41.880 37.736 0.00 0.00 +ATOM 9637 O WAT X2517 40.868 33.498 3.686 0.00 0.00 +ATOM 9638 H1 WAT X2517 40.868 33.348 4.631 0.00 0.00 +ATOM 9639 H2 WAT X2517 40.476 32.705 3.318 0.00 0.00 +ATOM 9640 O WAT X2518 43.754 19.366 16.774 0.00 0.00 +ATOM 9641 H1 WAT X2518 44.422 19.722 17.360 0.00 0.00 +ATOM 9642 H2 WAT X2518 44.101 19.520 15.895 0.00 0.00 +ATOM 9643 O WAT X2519 41.957 22.426 48.575 0.00 0.00 +ATOM 9644 H1 WAT X2519 42.157 21.789 49.261 0.00 0.00 +ATOM 9645 H2 WAT X2519 41.710 21.895 47.818 0.00 0.00 +ATOM 9646 O WAT X2520 68.015 21.322 52.267 0.00 0.00 +ATOM 9647 H1 WAT X2520 67.112 21.387 52.579 0.00 0.00 +ATOM 9648 H2 WAT X2520 68.143 20.389 52.098 0.00 0.00 +ATOM 9649 O WAT X2521 75.575 20.677 19.435 0.00 0.00 +ATOM 9650 H1 WAT X2521 75.970 19.897 19.046 0.00 0.00 +ATOM 9651 H2 WAT X2521 75.137 20.356 20.223 0.00 0.00 +ATOM 9652 O WAT X2522 64.669 12.385 55.719 0.00 0.00 +ATOM 9653 H1 WAT X2522 64.734 11.802 56.475 0.00 0.00 +ATOM 9654 H2 WAT X2522 63.969 12.996 55.947 0.00 0.00 +ATOM 9655 O WAT X2523 62.119 60.829 58.731 0.00 0.00 +ATOM 9656 H1 WAT X2523 62.691 61.162 58.039 0.00 0.00 +ATOM 9657 H2 WAT X2523 61.321 60.562 58.275 0.00 0.00 +ATOM 9658 O WAT X2524 26.652 50.649 30.215 0.00 0.00 +ATOM 9659 H1 WAT X2524 27.055 51.402 29.782 0.00 0.00 +ATOM 9660 H2 WAT X2524 27.345 50.292 30.770 0.00 0.00 +ATOM 9661 O WAT X2525 51.362 46.440 47.023 0.00 0.00 +ATOM 9662 H1 WAT X2525 50.874 46.378 46.203 0.00 0.00 +ATOM 9663 H2 WAT X2525 50.717 46.239 47.702 0.00 0.00 +ATOM 9664 O WAT X2526 41.419 7.672 9.979 0.00 0.00 +ATOM 9665 H1 WAT X2526 41.179 8.597 10.037 0.00 0.00 +ATOM 9666 H2 WAT X2526 41.795 7.468 10.835 0.00 0.00 +ATOM 9667 O WAT X2527 4.382 17.935 45.388 0.00 0.00 +ATOM 9668 H1 WAT X2527 4.742 17.228 45.924 0.00 0.00 +ATOM 9669 H2 WAT X2527 3.586 17.565 45.007 0.00 0.00 +ATOM 9670 O WAT X2528 13.421 43.406 14.769 0.00 0.00 +ATOM 9671 H1 WAT X2528 12.630 43.945 14.780 0.00 0.00 +ATOM 9672 H2 WAT X2528 14.139 44.034 14.847 0.00 0.00 +ATOM 9673 O WAT X2529 42.260 22.672 21.863 0.00 0.00 +ATOM 9674 H1 WAT X2529 41.365 22.594 22.194 0.00 0.00 +ATOM 9675 H2 WAT X2529 42.465 23.604 21.946 0.00 0.00 +ATOM 9676 O WAT X2530 15.029 61.990 54.453 0.00 0.00 +ATOM 9677 H1 WAT X2530 15.022 61.076 54.171 0.00 0.00 +ATOM 9678 H2 WAT X2530 14.782 61.958 55.377 0.00 0.00 +ATOM 9679 O WAT X2531 49.906 60.656 52.738 0.00 0.00 +ATOM 9680 H1 WAT X2531 49.294 60.754 52.009 0.00 0.00 +ATOM 9681 H2 WAT X2531 49.347 60.585 53.512 0.00 0.00 +ATOM 9682 O WAT X2532 39.315 36.431 5.986 0.00 0.00 +ATOM 9683 H1 WAT X2532 39.229 37.258 6.460 0.00 0.00 +ATOM 9684 H2 WAT X2532 38.485 36.335 5.520 0.00 0.00 +ATOM 9685 O WAT X2533 13.274 32.761 58.135 0.00 0.00 +ATOM 9686 H1 WAT X2533 13.525 32.227 57.381 0.00 0.00 +ATOM 9687 H2 WAT X2533 12.917 32.134 58.764 0.00 0.00 +ATOM 9688 O WAT X2534 46.974 60.045 2.599 0.00 0.00 +ATOM 9689 H1 WAT X2534 46.829 60.263 3.519 0.00 0.00 +ATOM 9690 H2 WAT X2534 47.218 60.875 2.191 0.00 0.00 +ATOM 9691 O WAT X2535 51.934 3.528 39.477 0.00 0.00 +ATOM 9692 H1 WAT X2535 51.383 2.750 39.392 0.00 0.00 +ATOM 9693 H2 WAT X2535 51.906 3.741 40.410 0.00 0.00 +ATOM 9694 O WAT X2536 4.309 35.048 40.658 0.00 0.00 +ATOM 9695 H1 WAT X2536 5.028 34.708 41.190 0.00 0.00 +ATOM 9696 H2 WAT X2536 4.441 34.654 39.796 0.00 0.00 +ATOM 9697 O WAT X2537 61.921 8.289 50.565 0.00 0.00 +ATOM 9698 H1 WAT X2537 61.465 8.787 49.886 0.00 0.00 +ATOM 9699 H2 WAT X2537 62.729 8.779 50.720 0.00 0.00 +ATOM 9700 O WAT X2538 26.739 53.176 0.339 0.00 0.00 +ATOM 9701 H1 WAT X2538 27.547 52.717 0.568 0.00 0.00 +ATOM 9702 H2 WAT X2538 27.006 53.817 -0.319 0.00 0.00 +ATOM 9703 O WAT X2539 34.698 28.685 41.846 0.00 0.00 +ATOM 9704 H1 WAT X2539 34.152 28.683 42.633 0.00 0.00 +ATOM 9705 H2 WAT X2539 34.254 29.288 41.249 0.00 0.00 +ATOM 9706 O WAT X2540 2.865 57.840 38.179 0.00 0.00 +ATOM 9707 H1 WAT X2540 3.457 58.541 37.907 0.00 0.00 +ATOM 9708 H2 WAT X2540 3.113 57.655 39.085 0.00 0.00 +ATOM 9709 O WAT X2541 21.355 30.768 6.168 0.00 0.00 +ATOM 9710 H1 WAT X2541 20.866 31.574 5.999 0.00 0.00 +ATOM 9711 H2 WAT X2541 20.681 30.105 6.318 0.00 0.00 +ATOM 9712 O WAT X2542 5.852 4.325 9.119 0.00 0.00 +ATOM 9713 H1 WAT X2542 6.133 5.112 9.586 0.00 0.00 +ATOM 9714 H2 WAT X2542 6.288 4.382 8.269 0.00 0.00 +ATOM 9715 O WAT X2543 71.811 46.626 44.073 0.00 0.00 +ATOM 9716 H1 WAT X2543 72.459 47.314 43.920 0.00 0.00 +ATOM 9717 H2 WAT X2543 71.706 46.604 45.024 0.00 0.00 +ATOM 9718 O WAT X2544 18.984 53.559 4.173 0.00 0.00 +ATOM 9719 H1 WAT X2544 18.677 53.936 3.349 0.00 0.00 +ATOM 9720 H2 WAT X2544 19.383 54.295 4.638 0.00 0.00 +ATOM 9721 O WAT X2545 27.203 8.047 56.900 0.00 0.00 +ATOM 9722 H1 WAT X2545 26.686 7.269 56.694 0.00 0.00 +ATOM 9723 H2 WAT X2545 26.552 8.720 57.101 0.00 0.00 +ATOM 9724 O WAT X2546 39.351 6.155 49.960 0.00 0.00 +ATOM 9725 H1 WAT X2546 39.605 5.372 50.449 0.00 0.00 +ATOM 9726 H2 WAT X2546 40.104 6.741 50.040 0.00 0.00 +ATOM 9727 O WAT X2547 4.362 12.761 15.732 0.00 0.00 +ATOM 9728 H1 WAT X2547 5.161 13.221 15.474 0.00 0.00 +ATOM 9729 H2 WAT X2547 4.670 12.016 16.248 0.00 0.00 +ATOM 9730 O WAT X2548 50.255 50.466 8.299 0.00 0.00 +ATOM 9731 H1 WAT X2548 50.654 50.465 7.429 0.00 0.00 +ATOM 9732 H2 WAT X2548 49.975 49.560 8.435 0.00 0.00 +ATOM 9733 O WAT X2549 60.959 13.973 25.913 0.00 0.00 +ATOM 9734 H1 WAT X2549 61.584 13.725 26.595 0.00 0.00 +ATOM 9735 H2 WAT X2549 60.531 13.152 25.671 0.00 0.00 +ATOM 9736 O WAT X2550 38.659 48.346 4.385 0.00 0.00 +ATOM 9737 H1 WAT X2550 38.346 49.185 4.722 0.00 0.00 +ATOM 9738 H2 WAT X2550 39.253 48.580 3.672 0.00 0.00 +ATOM 9739 O WAT X2551 13.172 45.152 45.722 0.00 0.00 +ATOM 9740 H1 WAT X2551 12.931 45.977 46.144 0.00 0.00 +ATOM 9741 H2 WAT X2551 13.138 44.505 46.427 0.00 0.00 +ATOM 9742 O WAT X2552 26.922 19.615 56.645 0.00 0.00 +ATOM 9743 H1 WAT X2552 26.887 20.393 56.089 0.00 0.00 +ATOM 9744 H2 WAT X2552 26.056 19.218 56.556 0.00 0.00 +ATOM 9745 O WAT X2553 62.204 1.410 9.458 0.00 0.00 +ATOM 9746 H1 WAT X2553 62.697 2.204 9.254 0.00 0.00 +ATOM 9747 H2 WAT X2553 62.874 0.752 9.644 0.00 0.00 +ATOM 9748 O WAT X2554 43.055 20.436 12.474 0.00 0.00 +ATOM 9749 H1 WAT X2554 42.374 19.932 12.921 0.00 0.00 +ATOM 9750 H2 WAT X2554 43.594 20.790 13.182 0.00 0.00 +ATOM 9751 O WAT X2555 48.134 56.150 7.389 0.00 0.00 +ATOM 9752 H1 WAT X2555 48.442 55.512 8.032 0.00 0.00 +ATOM 9753 H2 WAT X2555 48.347 55.758 6.542 0.00 0.00 +ATOM 9754 O WAT X2556 11.141 27.720 39.751 0.00 0.00 +ATOM 9755 H1 WAT X2556 11.962 28.033 39.371 0.00 0.00 +ATOM 9756 H2 WAT X2556 11.083 26.805 39.477 0.00 0.00 +ATOM 9757 O WAT X2557 69.068 28.946 1.132 0.00 0.00 +ATOM 9758 H1 WAT X2557 69.447 28.068 1.176 0.00 0.00 +ATOM 9759 H2 WAT X2557 69.106 29.176 0.204 0.00 0.00 +ATOM 9760 O WAT X2558 72.573 9.356 34.576 0.00 0.00 +ATOM 9761 H1 WAT X2558 72.837 9.189 35.481 0.00 0.00 +ATOM 9762 H2 WAT X2558 72.930 10.222 34.379 0.00 0.00 +ATOM 9763 O WAT X2559 58.573 38.432 57.823 0.00 0.00 +ATOM 9764 H1 WAT X2559 58.022 39.094 58.242 0.00 0.00 +ATOM 9765 H2 WAT X2559 59.394 38.887 57.636 0.00 0.00 +ATOM 9766 O WAT X2560 0.301 37.117 13.055 0.00 0.00 +ATOM 9767 H1 WAT X2560 -0.308 37.343 13.758 0.00 0.00 +ATOM 9768 H2 WAT X2560 0.416 36.170 13.133 0.00 0.00 +ATOM 9769 O WAT X2561 58.348 59.508 13.925 0.00 0.00 +ATOM 9770 H1 WAT X2561 57.463 59.820 14.115 0.00 0.00 +ATOM 9771 H2 WAT X2561 58.475 59.701 12.996 0.00 0.00 +ATOM 9772 O WAT X2562 13.717 25.482 56.409 0.00 0.00 +ATOM 9773 H1 WAT X2562 13.337 25.242 57.253 0.00 0.00 +ATOM 9774 H2 WAT X2562 14.610 25.137 56.441 0.00 0.00 +ATOM 9775 O WAT X2563 43.159 19.993 28.916 0.00 0.00 +ATOM 9776 H1 WAT X2563 43.206 20.818 29.399 0.00 0.00 +ATOM 9777 H2 WAT X2563 43.310 19.319 29.578 0.00 0.00 +ATOM 9778 O WAT X2564 72.322 4.104 10.141 0.00 0.00 +ATOM 9779 H1 WAT X2564 72.477 5.023 10.359 0.00 0.00 +ATOM 9780 H2 WAT X2564 73.060 3.862 9.581 0.00 0.00 +ATOM 9781 O WAT X2565 47.052 14.367 8.194 0.00 0.00 +ATOM 9782 H1 WAT X2565 46.326 14.815 8.627 0.00 0.00 +ATOM 9783 H2 WAT X2565 47.328 13.697 8.819 0.00 0.00 +ATOM 9784 O WAT X2566 77.098 59.932 51.771 0.00 0.00 +ATOM 9785 H1 WAT X2566 77.809 60.330 52.273 0.00 0.00 +ATOM 9786 H2 WAT X2566 77.511 59.650 50.955 0.00 0.00 +ATOM 9787 O WAT X2567 49.638 34.857 13.394 0.00 0.00 +ATOM 9788 H1 WAT X2567 50.054 35.605 12.967 0.00 0.00 +ATOM 9789 H2 WAT X2567 48.828 35.211 13.762 0.00 0.00 +ATOM 9790 O WAT X2568 25.962 13.463 1.632 0.00 0.00 +ATOM 9791 H1 WAT X2568 25.827 13.872 0.777 0.00 0.00 +ATOM 9792 H2 WAT X2568 25.215 13.751 2.157 0.00 0.00 +ATOM 9793 O WAT X2569 -0.130 11.281 20.983 0.00 0.00 +ATOM 9794 H1 WAT X2569 -0.051 10.806 20.156 0.00 0.00 +ATOM 9795 H2 WAT X2569 0.513 11.987 20.917 0.00 0.00 +ATOM 9796 O WAT X2570 56.424 57.594 19.711 0.00 0.00 +ATOM 9797 H1 WAT X2570 55.626 58.083 19.911 0.00 0.00 +ATOM 9798 H2 WAT X2570 56.356 56.800 20.242 0.00 0.00 +ATOM 9799 O WAT X2571 11.581 26.511 42.133 0.00 0.00 +ATOM 9800 H1 WAT X2571 10.824 26.585 42.713 0.00 0.00 +ATOM 9801 H2 WAT X2571 11.688 27.389 41.766 0.00 0.00 +ATOM 9802 O WAT X2572 63.850 14.855 3.370 0.00 0.00 +ATOM 9803 H1 WAT X2572 64.295 14.755 4.211 0.00 0.00 +ATOM 9804 H2 WAT X2572 63.623 15.784 3.328 0.00 0.00 +ATOM 9805 O WAT X2573 57.994 18.456 7.227 0.00 0.00 +ATOM 9806 H1 WAT X2573 58.150 19.398 7.156 0.00 0.00 +ATOM 9807 H2 WAT X2573 57.354 18.372 7.933 0.00 0.00 +ATOM 9808 O WAT X2574 4.217 49.164 28.371 0.00 0.00 +ATOM 9809 H1 WAT X2574 5.113 48.850 28.252 0.00 0.00 +ATOM 9810 H2 WAT X2574 4.073 49.759 27.635 0.00 0.00 +ATOM 9811 O WAT X2575 68.241 56.818 43.566 0.00 0.00 +ATOM 9812 H1 WAT X2575 67.395 56.424 43.357 0.00 0.00 +ATOM 9813 H2 WAT X2575 68.471 56.454 44.421 0.00 0.00 +ATOM 9814 O WAT X2576 56.453 2.048 29.812 0.00 0.00 +ATOM 9815 H1 WAT X2576 57.026 1.657 30.472 0.00 0.00 +ATOM 9816 H2 WAT X2576 57.045 2.314 29.109 0.00 0.00 +ATOM 9817 O WAT X2577 55.977 6.925 45.758 0.00 0.00 +ATOM 9818 H1 WAT X2577 55.575 7.693 46.163 0.00 0.00 +ATOM 9819 H2 WAT X2577 55.356 6.659 45.079 0.00 0.00 +ATOM 9820 O WAT X2578 64.266 43.510 38.600 0.00 0.00 +ATOM 9821 H1 WAT X2578 64.098 44.168 39.275 0.00 0.00 +ATOM 9822 H2 WAT X2578 64.963 43.889 38.065 0.00 0.00 +ATOM 9823 O WAT X2579 10.345 44.383 38.133 0.00 0.00 +ATOM 9824 H1 WAT X2579 9.419 44.415 38.373 0.00 0.00 +ATOM 9825 H2 WAT X2579 10.805 44.712 38.905 0.00 0.00 +ATOM 9826 O WAT X2580 11.412 28.643 8.521 0.00 0.00 +ATOM 9827 H1 WAT X2580 10.538 28.384 8.231 0.00 0.00 +ATOM 9828 H2 WAT X2580 11.609 29.430 8.013 0.00 0.00 +ATOM 9829 O WAT X2581 2.514 53.882 41.327 0.00 0.00 +ATOM 9830 H1 WAT X2581 1.825 54.061 40.687 0.00 0.00 +ATOM 9831 H2 WAT X2581 3.267 53.614 40.800 0.00 0.00 +ATOM 9832 O WAT X2582 7.405 56.027 4.668 0.00 0.00 +ATOM 9833 H1 WAT X2582 7.343 55.939 5.619 0.00 0.00 +ATOM 9834 H2 WAT X2582 6.527 56.288 4.393 0.00 0.00 +ATOM 9835 O WAT X2583 50.706 5.876 50.876 0.00 0.00 +ATOM 9836 H1 WAT X2583 49.820 5.755 50.537 0.00 0.00 +ATOM 9837 H2 WAT X2583 51.247 5.287 50.350 0.00 0.00 +ATOM 9838 O WAT X2584 8.751 1.502 4.027 0.00 0.00 +ATOM 9839 H1 WAT X2584 8.320 1.742 4.847 0.00 0.00 +ATOM 9840 H2 WAT X2584 8.525 0.581 3.898 0.00 0.00 +ATOM 9841 O WAT X2585 9.074 5.805 4.327 0.00 0.00 +ATOM 9842 H1 WAT X2585 8.488 6.526 4.555 0.00 0.00 +ATOM 9843 H2 WAT X2585 9.857 6.233 3.979 0.00 0.00 +ATOM 9844 O WAT X2586 10.469 38.410 56.533 0.00 0.00 +ATOM 9845 H1 WAT X2586 9.697 38.976 56.521 0.00 0.00 +ATOM 9846 H2 WAT X2586 11.084 38.856 57.115 0.00 0.00 +ATOM 9847 O WAT X2587 71.243 52.968 9.773 0.00 0.00 +ATOM 9848 H1 WAT X2587 70.669 52.203 9.739 0.00 0.00 +ATOM 9849 H2 WAT X2587 71.252 53.300 8.875 0.00 0.00 +ATOM 9850 O WAT X2588 56.853 54.924 13.638 0.00 0.00 +ATOM 9851 H1 WAT X2588 56.688 55.249 12.753 0.00 0.00 +ATOM 9852 H2 WAT X2588 56.011 54.568 13.923 0.00 0.00 +ATOM 9853 O WAT X2589 42.686 17.713 52.238 0.00 0.00 +ATOM 9854 H1 WAT X2589 41.749 17.830 52.081 0.00 0.00 +ATOM 9855 H2 WAT X2589 42.950 17.035 51.617 0.00 0.00 +ATOM 9856 O WAT X2590 59.591 2.192 9.522 0.00 0.00 +ATOM 9857 H1 WAT X2590 60.438 1.748 9.558 0.00 0.00 +ATOM 9858 H2 WAT X2590 59.804 3.098 9.299 0.00 0.00 +ATOM 9859 O WAT X2591 25.260 28.648 4.494 0.00 0.00 +ATOM 9860 H1 WAT X2591 25.996 28.440 5.070 0.00 0.00 +ATOM 9861 H2 WAT X2591 24.835 29.397 4.910 0.00 0.00 +ATOM 9862 O WAT X2592 36.082 6.791 22.682 0.00 0.00 +ATOM 9863 H1 WAT X2592 36.054 7.025 23.609 0.00 0.00 +ATOM 9864 H2 WAT X2592 35.564 7.469 22.248 0.00 0.00 +ATOM 9865 O WAT X2593 65.270 0.898 33.437 0.00 0.00 +ATOM 9866 H1 WAT X2593 65.569 0.133 32.945 0.00 0.00 +ATOM 9867 H2 WAT X2593 65.648 0.785 34.309 0.00 0.00 +ATOM 9868 O WAT X2594 72.397 33.563 40.314 0.00 0.00 +ATOM 9869 H1 WAT X2594 71.881 33.818 41.079 0.00 0.00 +ATOM 9870 H2 WAT X2594 71.749 33.424 39.624 0.00 0.00 +ATOM 9871 O WAT X2595 11.056 57.333 22.474 0.00 0.00 +ATOM 9872 H1 WAT X2595 11.159 56.861 23.300 0.00 0.00 +ATOM 9873 H2 WAT X2595 11.104 58.257 22.718 0.00 0.00 +ATOM 9874 O WAT X2596 63.107 3.911 47.482 0.00 0.00 +ATOM 9875 H1 WAT X2596 63.987 3.587 47.293 0.00 0.00 +ATOM 9876 H2 WAT X2596 62.772 3.316 48.153 0.00 0.00 +ATOM 9877 O WAT X2597 43.080 46.629 13.664 0.00 0.00 +ATOM 9878 H1 WAT X2597 42.996 45.747 13.300 0.00 0.00 +ATOM 9879 H2 WAT X2597 42.364 47.122 13.263 0.00 0.00 +ATOM 9880 O WAT X2598 57.844 51.132 42.004 0.00 0.00 +ATOM 9881 H1 WAT X2598 57.850 50.531 42.748 0.00 0.00 +ATOM 9882 H2 WAT X2598 56.948 51.090 41.669 0.00 0.00 +ATOM 9883 O WAT X2599 64.154 36.177 10.406 0.00 0.00 +ATOM 9884 H1 WAT X2599 63.998 35.545 9.704 0.00 0.00 +ATOM 9885 H2 WAT X2599 63.323 36.221 10.878 0.00 0.00 +ATOM 9886 O WAT X2600 76.864 53.275 0.612 0.00 0.00 +ATOM 9887 H1 WAT X2600 76.358 53.914 0.111 0.00 0.00 +ATOM 9888 H2 WAT X2600 76.624 52.429 0.233 0.00 0.00 +ATOM 9889 O WAT X2601 51.437 54.435 20.749 0.00 0.00 +ATOM 9890 H1 WAT X2601 51.399 53.941 21.568 0.00 0.00 +ATOM 9891 H2 WAT X2601 51.567 53.768 20.074 0.00 0.00 +ATOM 9892 O WAT X2602 46.915 54.757 44.246 0.00 0.00 +ATOM 9893 H1 WAT X2602 47.105 55.671 44.455 0.00 0.00 +ATOM 9894 H2 WAT X2602 46.562 54.393 45.058 0.00 0.00 +ATOM 9895 O WAT X2603 59.539 10.649 4.708 0.00 0.00 +ATOM 9896 H1 WAT X2603 59.941 11.513 4.617 0.00 0.00 +ATOM 9897 H2 WAT X2603 60.275 10.056 4.855 0.00 0.00 +ATOM 9898 O WAT X2604 58.810 43.374 12.692 0.00 0.00 +ATOM 9899 H1 WAT X2604 57.948 43.117 13.019 0.00 0.00 +ATOM 9900 H2 WAT X2604 59.300 43.621 13.477 0.00 0.00 +ATOM 9901 O WAT X2605 1.874 22.216 8.157 0.00 0.00 +ATOM 9902 H1 WAT X2605 1.650 21.292 8.047 0.00 0.00 +ATOM 9903 H2 WAT X2605 2.813 22.214 8.341 0.00 0.00 +ATOM 9904 O WAT X2606 44.235 47.263 54.037 0.00 0.00 +ATOM 9905 H1 WAT X2606 44.891 47.940 53.869 0.00 0.00 +ATOM 9906 H2 WAT X2606 44.227 47.169 54.989 0.00 0.00 +ATOM 9907 O WAT X2607 69.849 49.389 49.310 0.00 0.00 +ATOM 9908 H1 WAT X2607 69.019 49.800 49.550 0.00 0.00 +ATOM 9909 H2 WAT X2607 69.595 48.603 48.826 0.00 0.00 +ATOM 9910 O WAT X2608 49.824 49.717 13.653 0.00 0.00 +ATOM 9911 H1 WAT X2608 50.554 49.288 13.208 0.00 0.00 +ATOM 9912 H2 WAT X2608 49.869 50.629 13.364 0.00 0.00 +ATOM 9913 O WAT X2609 52.077 15.948 41.134 0.00 0.00 +ATOM 9914 H1 WAT X2609 52.074 15.040 41.439 0.00 0.00 +ATOM 9915 H2 WAT X2609 51.940 16.467 41.926 0.00 0.00 +ATOM 9916 O WAT X2610 52.929 33.365 12.523 0.00 0.00 +ATOM 9917 H1 WAT X2610 53.324 32.570 12.165 0.00 0.00 +ATOM 9918 H2 WAT X2610 52.459 33.752 11.784 0.00 0.00 +ATOM 9919 O WAT X2611 12.874 11.343 2.432 0.00 0.00 +ATOM 9920 H1 WAT X2611 13.712 10.969 2.705 0.00 0.00 +ATOM 9921 H2 WAT X2611 12.544 11.787 3.213 0.00 0.00 +ATOM 9922 O WAT X2612 52.496 39.144 51.937 0.00 0.00 +ATOM 9923 H1 WAT X2612 51.826 38.626 52.383 0.00 0.00 +ATOM 9924 H2 WAT X2612 53.322 38.727 52.180 0.00 0.00 +ATOM 9925 O WAT X2613 33.703 16.868 0.714 0.00 0.00 +ATOM 9926 H1 WAT X2613 33.386 16.562 -0.136 0.00 0.00 +ATOM 9927 H2 WAT X2613 34.498 17.361 0.509 0.00 0.00 +ATOM 9928 O WAT X2614 10.155 29.462 25.618 0.00 0.00 +ATOM 9929 H1 WAT X2614 10.742 30.119 25.992 0.00 0.00 +ATOM 9930 H2 WAT X2614 10.384 28.651 26.073 0.00 0.00 +ATOM 9931 O WAT X2615 2.340 47.686 0.304 0.00 0.00 +ATOM 9932 H1 WAT X2615 1.990 48.108 -0.481 0.00 0.00 +ATOM 9933 H2 WAT X2615 3.198 48.091 0.432 0.00 0.00 +ATOM 9934 O WAT X2616 48.371 55.721 35.846 0.00 0.00 +ATOM 9935 H1 WAT X2616 48.422 54.812 36.142 0.00 0.00 +ATOM 9936 H2 WAT X2616 47.526 56.032 36.173 0.00 0.00 +ATOM 9937 O WAT X2617 22.613 21.675 49.280 0.00 0.00 +ATOM 9938 H1 WAT X2617 21.735 21.510 49.626 0.00 0.00 +ATOM 9939 H2 WAT X2617 22.525 22.488 48.783 0.00 0.00 +ATOM 9940 O WAT X2618 48.023 0.704 35.174 0.00 0.00 +ATOM 9941 H1 WAT X2618 47.658 1.586 35.104 0.00 0.00 +ATOM 9942 H2 WAT X2618 47.260 0.126 35.147 0.00 0.00 +ATOM 9943 O WAT X2619 48.919 10.325 5.225 0.00 0.00 +ATOM 9944 H1 WAT X2619 49.634 10.158 4.611 0.00 0.00 +ATOM 9945 H2 WAT X2619 48.189 10.603 4.672 0.00 0.00 +ATOM 9946 O WAT X2620 77.026 31.049 49.654 0.00 0.00 +ATOM 9947 H1 WAT X2620 76.612 30.283 49.257 0.00 0.00 +ATOM 9948 H2 WAT X2620 77.285 31.594 48.911 0.00 0.00 +ATOM 9949 O WAT X2621 19.356 6.945 7.562 0.00 0.00 +ATOM 9950 H1 WAT X2621 19.669 6.494 8.346 0.00 0.00 +ATOM 9951 H2 WAT X2621 20.140 7.060 7.024 0.00 0.00 +ATOM 9952 O WAT X2622 44.464 18.066 6.826 0.00 0.00 +ATOM 9953 H1 WAT X2622 44.882 18.754 7.344 0.00 0.00 +ATOM 9954 H2 WAT X2622 45.109 17.847 6.153 0.00 0.00 +ATOM 9955 O WAT X2623 0.785 42.850 14.994 0.00 0.00 +ATOM 9956 H1 WAT X2623 0.210 43.426 14.490 0.00 0.00 +ATOM 9957 H2 WAT X2623 1.247 42.335 14.333 0.00 0.00 +ATOM 9958 O WAT X2624 5.658 13.886 46.996 0.00 0.00 +ATOM 9959 H1 WAT X2624 6.397 13.835 47.602 0.00 0.00 +ATOM 9960 H2 WAT X2624 5.622 14.808 46.741 0.00 0.00 +ATOM 9961 O WAT X2625 36.646 7.476 53.232 0.00 0.00 +ATOM 9962 H1 WAT X2625 37.397 7.119 53.707 0.00 0.00 +ATOM 9963 H2 WAT X2625 36.185 8.010 53.879 0.00 0.00 +ATOM 9964 O WAT X2626 17.141 22.512 50.694 0.00 0.00 +ATOM 9965 H1 WAT X2626 17.002 23.448 50.549 0.00 0.00 +ATOM 9966 H2 WAT X2626 16.564 22.295 51.425 0.00 0.00 +ATOM 9967 O WAT X2627 61.521 40.621 51.505 0.00 0.00 +ATOM 9968 H1 WAT X2627 60.720 40.247 51.872 0.00 0.00 +ATOM 9969 H2 WAT X2627 61.264 40.937 50.639 0.00 0.00 +ATOM 9970 O WAT X2628 53.049 56.739 9.811 0.00 0.00 +ATOM 9971 H1 WAT X2628 52.688 57.092 8.998 0.00 0.00 +ATOM 9972 H2 WAT X2628 52.595 55.904 9.932 0.00 0.00 +ATOM 9973 O WAT X2629 55.302 5.643 32.147 0.00 0.00 +ATOM 9974 H1 WAT X2629 55.071 6.512 32.473 0.00 0.00 +ATOM 9975 H2 WAT X2629 55.853 5.268 32.834 0.00 0.00 +ATOM 9976 O WAT X2630 68.556 17.648 30.840 0.00 0.00 +ATOM 9977 H1 WAT X2630 68.161 18.386 31.304 0.00 0.00 +ATOM 9978 H2 WAT X2630 67.814 17.103 30.579 0.00 0.00 +ATOM 9979 O WAT X2631 2.547 11.780 18.943 0.00 0.00 +ATOM 9980 H1 WAT X2631 2.494 10.903 18.564 0.00 0.00 +ATOM 9981 H2 WAT X2631 2.216 12.358 18.256 0.00 0.00 +ATOM 9982 O WAT X2632 55.427 22.902 27.079 0.00 0.00 +ATOM 9983 H1 WAT X2632 55.317 21.955 26.996 0.00 0.00 +ATOM 9984 H2 WAT X2632 55.810 23.173 26.244 0.00 0.00 +ATOM 9985 O WAT X2633 36.715 40.886 13.446 0.00 0.00 +ATOM 9986 H1 WAT X2633 37.293 41.224 12.762 0.00 0.00 +ATOM 9987 H2 WAT X2633 36.984 41.353 14.238 0.00 0.00 +ATOM 9988 O WAT X2634 48.747 8.544 1.819 0.00 0.00 +ATOM 9989 H1 WAT X2634 48.132 8.098 2.400 0.00 0.00 +ATOM 9990 H2 WAT X2634 49.534 7.999 1.840 0.00 0.00 +ATOM 9991 O WAT X2635 64.555 21.519 33.637 0.00 0.00 +ATOM 9992 H1 WAT X2635 63.732 21.784 34.047 0.00 0.00 +ATOM 9993 H2 WAT X2635 64.292 21.108 32.814 0.00 0.00 +ATOM 9994 O WAT X2636 50.378 19.596 18.949 0.00 0.00 +ATOM 9995 H1 WAT X2636 50.259 19.120 19.771 0.00 0.00 +ATOM 9996 H2 WAT X2636 50.740 18.947 18.346 0.00 0.00 +ATOM 9997 O WAT X2637 22.866 33.980 42.979 0.00 0.00 +ATOM 9998 H1 WAT X2637 23.072 33.050 43.075 0.00 0.00 +ATOM 9999 H2 WAT X2637 23.367 34.409 43.673 0.00 0.00 +ATOM 10000 O WAT X2638 32.013 15.920 7.086 0.00 0.00 +ATOM 10001 H1 WAT X2638 31.203 16.144 7.543 0.00 0.00 +ATOM 10002 H2 WAT X2638 32.022 14.963 7.070 0.00 0.00 +ATOM 10003 O WAT X2639 47.028 53.265 41.717 0.00 0.00 +ATOM 10004 H1 WAT X2639 47.524 52.566 42.144 0.00 0.00 +ATOM 10005 H2 WAT X2639 47.053 53.991 42.341 0.00 0.00 +ATOM 10006 O WAT X2640 11.161 0.801 44.232 0.00 0.00 +ATOM 10007 H1 WAT X2640 11.052 -0.087 43.892 0.00 0.00 +ATOM 10008 H2 WAT X2640 12.089 0.994 44.103 0.00 0.00 +ATOM 10009 O WAT X2641 30.901 7.323 40.895 0.00 0.00 +ATOM 10010 H1 WAT X2641 30.741 8.264 40.958 0.00 0.00 +ATOM 10011 H2 WAT X2641 30.074 6.921 41.162 0.00 0.00 +ATOM 10012 O WAT X2642 13.592 1.471 38.968 0.00 0.00 +ATOM 10013 H1 WAT X2642 13.396 2.252 38.450 0.00 0.00 +ATOM 10014 H2 WAT X2642 13.611 1.783 39.873 0.00 0.00 +ATOM 10015 O WAT X2643 61.926 37.833 23.290 0.00 0.00 +ATOM 10016 H1 WAT X2643 61.539 38.696 23.436 0.00 0.00 +ATOM 10017 H2 WAT X2643 61.773 37.657 22.361 0.00 0.00 +ATOM 10018 O WAT X2644 59.017 54.237 54.762 0.00 0.00 +ATOM 10019 H1 WAT X2644 59.107 54.922 55.425 0.00 0.00 +ATOM 10020 H2 WAT X2644 59.398 53.459 55.168 0.00 0.00 +ATOM 10021 O WAT X2645 28.671 3.790 50.926 0.00 0.00 +ATOM 10022 H1 WAT X2645 28.408 3.411 50.087 0.00 0.00 +ATOM 10023 H2 WAT X2645 27.852 3.881 51.414 0.00 0.00 +ATOM 10024 O WAT X2646 67.774 3.931 35.606 0.00 0.00 +ATOM 10025 H1 WAT X2646 67.451 3.812 34.713 0.00 0.00 +ATOM 10026 H2 WAT X2646 68.501 4.548 35.518 0.00 0.00 +ATOM 10027 O WAT X2647 62.512 55.910 38.569 0.00 0.00 +ATOM 10028 H1 WAT X2647 62.161 56.019 39.453 0.00 0.00 +ATOM 10029 H2 WAT X2647 61.757 56.039 37.995 0.00 0.00 +ATOM 10030 O WAT X2648 71.243 14.715 43.116 0.00 0.00 +ATOM 10031 H1 WAT X2648 70.926 14.029 43.704 0.00 0.00 +ATOM 10032 H2 WAT X2648 71.653 14.241 42.393 0.00 0.00 +ATOM 10033 O WAT X2649 69.986 29.699 7.060 0.00 0.00 +ATOM 10034 H1 WAT X2649 70.160 30.527 7.506 0.00 0.00 +ATOM 10035 H2 WAT X2649 70.185 29.028 7.714 0.00 0.00 +ATOM 10036 O WAT X2650 12.170 23.664 40.964 0.00 0.00 +ATOM 10037 H1 WAT X2650 11.561 24.402 40.990 0.00 0.00 +ATOM 10038 H2 WAT X2650 11.944 23.139 41.732 0.00 0.00 +ATOM 10039 O WAT X2651 4.223 5.468 18.808 0.00 0.00 +ATOM 10040 H1 WAT X2651 3.907 4.751 19.359 0.00 0.00 +ATOM 10041 H2 WAT X2651 5.165 5.313 18.730 0.00 0.00 +ATOM 10042 O WAT X2652 74.311 52.213 40.534 0.00 0.00 +ATOM 10043 H1 WAT X2652 73.865 52.432 39.716 0.00 0.00 +ATOM 10044 H2 WAT X2652 73.647 52.343 41.211 0.00 0.00 +ATOM 10045 O WAT X2653 37.361 10.366 15.618 0.00 0.00 +ATOM 10046 H1 WAT X2653 36.519 10.225 16.050 0.00 0.00 +ATOM 10047 H2 WAT X2653 37.258 11.199 15.158 0.00 0.00 +ATOM 10048 O WAT X2654 15.804 55.988 38.738 0.00 0.00 +ATOM 10049 H1 WAT X2654 16.631 55.898 38.265 0.00 0.00 +ATOM 10050 H2 WAT X2654 15.182 56.292 38.077 0.00 0.00 +ATOM 10051 O WAT X2655 71.695 57.354 54.922 0.00 0.00 +ATOM 10052 H1 WAT X2655 71.378 57.913 54.213 0.00 0.00 +ATOM 10053 H2 WAT X2655 72.055 56.586 54.478 0.00 0.00 +ATOM 10054 O WAT X2656 27.198 61.267 50.253 0.00 0.00 +ATOM 10055 H1 WAT X2656 27.027 60.332 50.362 0.00 0.00 +ATOM 10056 H2 WAT X2656 27.936 61.445 50.836 0.00 0.00 +ATOM 10057 O WAT X2657 35.883 39.590 5.679 0.00 0.00 +ATOM 10058 H1 WAT X2657 36.404 39.197 6.379 0.00 0.00 +ATOM 10059 H2 WAT X2657 36.314 40.426 5.501 0.00 0.00 +ATOM 10060 O WAT X2658 53.227 2.928 44.266 0.00 0.00 +ATOM 10061 H1 WAT X2658 53.866 2.260 44.513 0.00 0.00 +ATOM 10062 H2 WAT X2658 52.395 2.603 44.611 0.00 0.00 +ATOM 10063 O WAT X2659 41.338 11.202 47.539 0.00 0.00 +ATOM 10064 H1 WAT X2659 41.131 12.075 47.871 0.00 0.00 +ATOM 10065 H2 WAT X2659 41.861 11.362 46.753 0.00 0.00 +ATOM 10066 O WAT X2660 71.529 24.359 4.649 0.00 0.00 +ATOM 10067 H1 WAT X2660 72.017 24.246 5.464 0.00 0.00 +ATOM 10068 H2 WAT X2660 71.298 25.288 4.634 0.00 0.00 +ATOM 10069 O WAT X2661 32.562 57.065 48.845 0.00 0.00 +ATOM 10070 H1 WAT X2661 32.861 56.726 48.001 0.00 0.00 +ATOM 10071 H2 WAT X2661 32.989 56.505 49.493 0.00 0.00 +ATOM 10072 O WAT X2662 33.912 10.664 28.546 0.00 0.00 +ATOM 10073 H1 WAT X2662 34.425 9.895 28.797 0.00 0.00 +ATOM 10074 H2 WAT X2662 33.153 10.646 29.130 0.00 0.00 +ATOM 10075 O WAT X2663 51.726 13.420 22.589 0.00 0.00 +ATOM 10076 H1 WAT X2663 52.517 12.904 22.749 0.00 0.00 +ATOM 10077 H2 WAT X2663 51.045 12.768 22.423 0.00 0.00 +ATOM 10078 O WAT X2664 26.634 48.888 40.320 0.00 0.00 +ATOM 10079 H1 WAT X2664 27.285 48.294 39.947 0.00 0.00 +ATOM 10080 H2 WAT X2664 27.113 49.701 40.477 0.00 0.00 +ATOM 10081 O WAT X2665 45.186 19.964 4.863 0.00 0.00 +ATOM 10082 H1 WAT X2665 44.633 19.578 5.543 0.00 0.00 +ATOM 10083 H2 WAT X2665 45.965 19.408 4.844 0.00 0.00 +ATOM 10084 O WAT X2666 14.250 0.340 29.394 0.00 0.00 +ATOM 10085 H1 WAT X2666 14.320 -0.613 29.346 0.00 0.00 +ATOM 10086 H2 WAT X2666 14.062 0.521 30.315 0.00 0.00 +ATOM 10087 O WAT X2667 26.948 25.107 51.475 0.00 0.00 +ATOM 10088 H1 WAT X2667 27.690 24.577 51.184 0.00 0.00 +ATOM 10089 H2 WAT X2667 26.373 25.153 50.711 0.00 0.00 +ATOM 10090 O WAT X2668 30.293 14.222 58.046 0.00 0.00 +ATOM 10091 H1 WAT X2668 30.147 14.035 57.118 0.00 0.00 +ATOM 10092 H2 WAT X2668 31.243 14.170 58.154 0.00 0.00 +ATOM 10093 O WAT X2669 16.499 41.452 14.900 0.00 0.00 +ATOM 10094 H1 WAT X2669 16.893 40.594 15.059 0.00 0.00 +ATOM 10095 H2 WAT X2669 16.562 41.904 15.741 0.00 0.00 +ATOM 10096 O WAT X2670 55.679 2.549 9.878 0.00 0.00 +ATOM 10097 H1 WAT X2670 54.797 2.865 10.075 0.00 0.00 +ATOM 10098 H2 WAT X2670 55.689 2.447 8.926 0.00 0.00 +ATOM 10099 O WAT X2671 31.230 1.449 25.070 0.00 0.00 +ATOM 10100 H1 WAT X2671 30.525 1.932 25.500 0.00 0.00 +ATOM 10101 H2 WAT X2671 30.837 1.122 24.260 0.00 0.00 +ATOM 10102 O WAT X2672 76.144 30.891 30.106 0.00 0.00 +ATOM 10103 H1 WAT X2672 76.104 31.255 29.222 0.00 0.00 +ATOM 10104 H2 WAT X2672 76.064 29.945 29.980 0.00 0.00 +ATOM 10105 O WAT X2673 23.926 10.863 52.295 0.00 0.00 +ATOM 10106 H1 WAT X2673 24.203 9.980 52.540 0.00 0.00 +ATOM 10107 H2 WAT X2673 24.692 11.410 52.466 0.00 0.00 +ATOM 10108 O WAT X2674 70.270 12.442 44.948 0.00 0.00 +ATOM 10109 H1 WAT X2674 69.716 11.874 45.484 0.00 0.00 +ATOM 10110 H2 WAT X2674 70.565 13.126 45.549 0.00 0.00 +ATOM 10111 O WAT X2675 42.402 33.331 16.324 0.00 0.00 +ATOM 10112 H1 WAT X2675 41.732 32.678 16.525 0.00 0.00 +ATOM 10113 H2 WAT X2675 42.851 32.985 15.553 0.00 0.00 +ATOM 10114 O WAT X2676 66.310 62.895 15.827 0.00 0.00 +ATOM 10115 H1 WAT X2676 66.277 62.336 16.603 0.00 0.00 +ATOM 10116 H2 WAT X2676 66.004 62.333 15.114 0.00 0.00 +ATOM 10117 O WAT X2677 46.010 31.737 10.397 0.00 0.00 +ATOM 10118 H1 WAT X2677 46.670 32.323 10.026 0.00 0.00 +ATOM 10119 H2 WAT X2677 45.214 31.927 9.900 0.00 0.00 +ATOM 10120 O WAT X2678 56.383 35.727 58.102 0.00 0.00 +ATOM 10121 H1 WAT X2678 57.302 35.973 58.208 0.00 0.00 +ATOM 10122 H2 WAT X2678 55.937 36.142 58.840 0.00 0.00 +ATOM 10123 O WAT X2679 44.141 22.712 51.432 0.00 0.00 +ATOM 10124 H1 WAT X2679 43.873 22.757 52.349 0.00 0.00 +ATOM 10125 H2 WAT X2679 43.593 23.361 50.990 0.00 0.00 +ATOM 10126 O WAT X2680 45.716 54.899 50.367 0.00 0.00 +ATOM 10127 H1 WAT X2680 45.845 54.219 51.028 0.00 0.00 +ATOM 10128 H2 WAT X2680 46.332 54.674 49.669 0.00 0.00 +ATOM 10129 O WAT X2681 33.547 47.400 34.422 0.00 0.00 +ATOM 10130 H1 WAT X2681 33.378 47.009 35.279 0.00 0.00 +ATOM 10131 H2 WAT X2681 33.221 46.754 33.796 0.00 0.00 +ATOM 10132 O WAT X2682 38.762 42.429 47.145 0.00 0.00 +ATOM 10133 H1 WAT X2682 39.523 43.009 47.126 0.00 0.00 +ATOM 10134 H2 WAT X2682 38.141 42.867 47.727 0.00 0.00 +ATOM 10135 O WAT X2683 26.821 48.020 43.011 0.00 0.00 +ATOM 10136 H1 WAT X2683 26.793 48.784 42.436 0.00 0.00 +ATOM 10137 H2 WAT X2683 26.285 47.364 42.565 0.00 0.00 +ATOM 10138 O WAT X2684 77.732 35.155 9.378 0.00 0.00 +ATOM 10139 H1 WAT X2684 77.272 34.435 8.946 0.00 0.00 +ATOM 10140 H2 WAT X2684 78.129 34.755 10.152 0.00 0.00 +ATOM 10141 O WAT X2685 59.824 3.158 48.960 0.00 0.00 +ATOM 10142 H1 WAT X2685 59.390 2.843 48.167 0.00 0.00 +ATOM 10143 H2 WAT X2685 60.104 2.362 49.411 0.00 0.00 +ATOM 10144 O WAT X2686 55.870 44.187 50.745 0.00 0.00 +ATOM 10145 H1 WAT X2686 56.447 44.285 51.502 0.00 0.00 +ATOM 10146 H2 WAT X2686 55.932 45.026 50.287 0.00 0.00 +ATOM 10147 O WAT X2687 54.383 51.122 51.503 0.00 0.00 +ATOM 10148 H1 WAT X2687 54.174 51.688 50.760 0.00 0.00 +ATOM 10149 H2 WAT X2687 54.712 51.720 52.174 0.00 0.00 +ATOM 10150 O WAT X2688 17.084 31.648 55.623 0.00 0.00 +ATOM 10151 H1 WAT X2688 16.352 31.992 56.136 0.00 0.00 +ATOM 10152 H2 WAT X2688 17.004 30.697 55.699 0.00 0.00 +ATOM 10153 O WAT X2689 6.616 12.411 10.385 0.00 0.00 +ATOM 10154 H1 WAT X2689 5.870 12.929 10.687 0.00 0.00 +ATOM 10155 H2 WAT X2689 6.327 12.036 9.553 0.00 0.00 +ATOM 10156 O WAT X2690 19.561 4.997 39.383 0.00 0.00 +ATOM 10157 H1 WAT X2690 19.184 4.459 40.079 0.00 0.00 +ATOM 10158 H2 WAT X2690 20.495 4.787 39.397 0.00 0.00 +ATOM 10159 O WAT X2691 48.992 46.903 16.814 0.00 0.00 +ATOM 10160 H1 WAT X2691 48.834 47.087 15.888 0.00 0.00 +ATOM 10161 H2 WAT X2691 48.167 47.127 17.246 0.00 0.00 +ATOM 10162 O WAT X2692 30.330 57.903 28.705 0.00 0.00 +ATOM 10163 H1 WAT X2692 30.606 58.167 27.828 0.00 0.00 +ATOM 10164 H2 WAT X2692 30.804 57.088 28.870 0.00 0.00 +ATOM 10165 O WAT X2693 58.747 45.198 18.176 0.00 0.00 +ATOM 10166 H1 WAT X2693 58.867 46.072 18.546 0.00 0.00 +ATOM 10167 H2 WAT X2693 58.384 45.355 17.304 0.00 0.00 +ATOM 10168 O WAT X2694 45.998 0.478 19.194 0.00 0.00 +ATOM 10169 H1 WAT X2694 45.362 0.920 18.632 0.00 0.00 +ATOM 10170 H2 WAT X2694 46.325 1.167 19.773 0.00 0.00 +ATOM 10171 O WAT X2695 56.622 27.248 15.176 0.00 0.00 +ATOM 10172 H1 WAT X2695 56.641 27.538 16.089 0.00 0.00 +ATOM 10173 H2 WAT X2695 57.513 26.945 15.003 0.00 0.00 +ATOM 10174 O WAT X2696 41.730 60.729 51.551 0.00 0.00 +ATOM 10175 H1 WAT X2696 41.992 61.575 51.916 0.00 0.00 +ATOM 10176 H2 WAT X2696 41.454 60.216 52.310 0.00 0.00 +ATOM 10177 O WAT X2697 53.990 1.934 34.570 0.00 0.00 +ATOM 10178 H1 WAT X2697 54.346 2.796 34.355 0.00 0.00 +ATOM 10179 H2 WAT X2697 54.605 1.316 34.176 0.00 0.00 +ATOM 10180 O WAT X2698 50.496 37.437 12.475 0.00 0.00 +ATOM 10181 H1 WAT X2698 51.435 37.454 12.292 0.00 0.00 +ATOM 10182 H2 WAT X2698 50.403 37.922 13.295 0.00 0.00 +ATOM 10183 O WAT X2699 2.792 21.031 22.568 0.00 0.00 +ATOM 10184 H1 WAT X2699 3.458 20.350 22.470 0.00 0.00 +ATOM 10185 H2 WAT X2699 2.052 20.718 22.048 0.00 0.00 +ATOM 10186 O WAT X2700 0.677 36.954 28.459 0.00 0.00 +ATOM 10187 H1 WAT X2700 1.510 36.902 28.926 0.00 0.00 +ATOM 10188 H2 WAT X2700 0.296 36.081 28.549 0.00 0.00 +ATOM 10189 O WAT X2701 10.839 59.954 22.748 0.00 0.00 +ATOM 10190 H1 WAT X2701 10.039 60.065 22.234 0.00 0.00 +ATOM 10191 H2 WAT X2701 11.098 60.845 22.984 0.00 0.00 +ATOM 10192 O WAT X2702 16.905 58.467 34.159 0.00 0.00 +ATOM 10193 H1 WAT X2702 17.189 59.169 34.745 0.00 0.00 +ATOM 10194 H2 WAT X2702 17.115 58.787 33.282 0.00 0.00 +ATOM 10195 O WAT X2703 38.668 7.339 19.950 0.00 0.00 +ATOM 10196 H1 WAT X2703 38.713 8.286 20.084 0.00 0.00 +ATOM 10197 H2 WAT X2703 38.957 6.966 20.783 0.00 0.00 +ATOM 10198 O WAT X2704 5.642 41.927 28.422 0.00 0.00 +ATOM 10199 H1 WAT X2704 6.565 41.858 28.665 0.00 0.00 +ATOM 10200 H2 WAT X2704 5.294 41.044 28.549 0.00 0.00 +ATOM 10201 O WAT X2705 16.074 34.170 10.373 0.00 0.00 +ATOM 10202 H1 WAT X2705 15.123 34.280 10.362 0.00 0.00 +ATOM 10203 H2 WAT X2705 16.414 35.043 10.568 0.00 0.00 +ATOM 10204 O WAT X2706 42.163 24.037 14.598 0.00 0.00 +ATOM 10205 H1 WAT X2706 42.037 24.870 14.144 0.00 0.00 +ATOM 10206 H2 WAT X2706 41.688 24.140 15.423 0.00 0.00 +ATOM 10207 O WAT X2707 37.535 12.111 42.343 0.00 0.00 +ATOM 10208 H1 WAT X2707 36.587 11.990 42.401 0.00 0.00 +ATOM 10209 H2 WAT X2707 37.688 12.980 42.715 0.00 0.00 +ATOM 10210 O WAT X2708 68.549 15.721 47.101 0.00 0.00 +ATOM 10211 H1 WAT X2708 67.755 15.198 46.991 0.00 0.00 +ATOM 10212 H2 WAT X2708 68.242 16.628 47.085 0.00 0.00 +ATOM 10213 O WAT X2709 5.948 2.170 17.698 0.00 0.00 +ATOM 10214 H1 WAT X2709 5.361 2.278 16.949 0.00 0.00 +ATOM 10215 H2 WAT X2709 5.401 2.361 18.460 0.00 0.00 +ATOM 10216 O WAT X2710 48.985 17.935 10.740 0.00 0.00 +ATOM 10217 H1 WAT X2710 48.142 17.524 10.550 0.00 0.00 +ATOM 10218 H2 WAT X2710 49.312 17.467 11.509 0.00 0.00 +ATOM 10219 O WAT X2711 51.295 15.632 51.510 0.00 0.00 +ATOM 10220 H1 WAT X2711 51.818 15.865 50.744 0.00 0.00 +ATOM 10221 H2 WAT X2711 50.676 16.356 51.607 0.00 0.00 +ATOM 10222 O WAT X2712 24.340 52.523 23.543 0.00 0.00 +ATOM 10223 H1 WAT X2712 23.773 52.581 24.312 0.00 0.00 +ATOM 10224 H2 WAT X2712 24.553 51.592 23.473 0.00 0.00 +ATOM 10225 O WAT X2713 4.833 19.118 22.208 0.00 0.00 +ATOM 10226 H1 WAT X2713 5.231 19.425 23.023 0.00 0.00 +ATOM 10227 H2 WAT X2713 5.575 18.966 21.622 0.00 0.00 +ATOM 10228 O WAT X2714 60.260 27.280 9.674 0.00 0.00 +ATOM 10229 H1 WAT X2714 61.144 27.471 9.988 0.00 0.00 +ATOM 10230 H2 WAT X2714 60.069 26.405 10.014 0.00 0.00 +ATOM 10231 O WAT X2715 30.363 37.386 48.729 0.00 0.00 +ATOM 10232 H1 WAT X2715 31.076 37.739 48.197 0.00 0.00 +ATOM 10233 H2 WAT X2715 30.662 36.513 48.982 0.00 0.00 +ATOM 10234 O WAT X2716 35.469 1.924 35.856 0.00 0.00 +ATOM 10235 H1 WAT X2716 34.649 1.685 35.424 0.00 0.00 +ATOM 10236 H2 WAT X2716 35.240 2.669 36.410 0.00 0.00 +ATOM 10237 O WAT X2717 9.610 49.521 53.590 0.00 0.00 +ATOM 10238 H1 WAT X2717 10.535 49.662 53.391 0.00 0.00 +ATOM 10239 H2 WAT X2717 9.486 49.925 54.449 0.00 0.00 +ATOM 10240 O WAT X2718 57.560 55.537 24.688 0.00 0.00 +ATOM 10241 H1 WAT X2718 58.086 54.847 24.282 0.00 0.00 +ATOM 10242 H2 WAT X2718 57.961 56.352 24.385 0.00 0.00 +ATOM 10243 O WAT X2719 9.990 8.624 42.788 0.00 0.00 +ATOM 10244 H1 WAT X2719 10.817 8.543 43.264 0.00 0.00 +ATOM 10245 H2 WAT X2719 10.007 7.904 42.157 0.00 0.00 +ATOM 10246 O WAT X2720 53.690 56.105 20.017 0.00 0.00 +ATOM 10247 H1 WAT X2720 53.229 56.909 19.780 0.00 0.00 +ATOM 10248 H2 WAT X2720 53.058 55.611 20.540 0.00 0.00 +ATOM 10249 O WAT X2721 19.094 22.643 48.806 0.00 0.00 +ATOM 10250 H1 WAT X2721 19.235 23.588 48.864 0.00 0.00 +ATOM 10251 H2 WAT X2721 18.631 22.420 49.613 0.00 0.00 +ATOM 10252 O WAT X2722 68.857 49.014 33.578 0.00 0.00 +ATOM 10253 H1 WAT X2722 69.355 48.433 33.003 0.00 0.00 +ATOM 10254 H2 WAT X2722 68.792 48.535 34.404 0.00 0.00 +ATOM 10255 O WAT X2723 10.056 17.936 24.915 0.00 0.00 +ATOM 10256 H1 WAT X2723 10.489 17.482 24.192 0.00 0.00 +ATOM 10257 H2 WAT X2723 10.182 18.865 24.724 0.00 0.00 +ATOM 10258 O WAT X2724 48.729 12.934 11.900 0.00 0.00 +ATOM 10259 H1 WAT X2724 48.854 12.489 11.062 0.00 0.00 +ATOM 10260 H2 WAT X2724 48.346 12.267 12.470 0.00 0.00 +ATOM 10261 O WAT X2725 17.067 56.767 27.826 0.00 0.00 +ATOM 10262 H1 WAT X2725 17.599 57.059 28.567 0.00 0.00 +ATOM 10263 H2 WAT X2725 16.182 56.692 28.182 0.00 0.00 +ATOM 10264 O WAT X2726 42.796 18.494 21.228 0.00 0.00 +ATOM 10265 H1 WAT X2726 42.322 18.510 22.060 0.00 0.00 +ATOM 10266 H2 WAT X2726 43.366 17.728 21.293 0.00 0.00 +ATOM 10267 O WAT X2727 68.250 22.547 15.262 0.00 0.00 +ATOM 10268 H1 WAT X2727 68.816 22.972 14.617 0.00 0.00 +ATOM 10269 H2 WAT X2727 67.365 22.658 14.914 0.00 0.00 +ATOM 10270 O WAT X2728 35.372 23.567 31.479 0.00 0.00 +ATOM 10271 H1 WAT X2728 34.611 24.120 31.300 0.00 0.00 +ATOM 10272 H2 WAT X2728 35.974 23.747 30.756 0.00 0.00 +ATOM 10273 O WAT X2729 7.123 32.380 1.772 0.00 0.00 +ATOM 10274 H1 WAT X2729 6.799 33.238 2.045 0.00 0.00 +ATOM 10275 H2 WAT X2729 8.075 32.473 1.768 0.00 0.00 +ATOM 10276 O WAT X2730 73.156 10.221 26.611 0.00 0.00 +ATOM 10277 H1 WAT X2730 74.053 10.444 26.364 0.00 0.00 +ATOM 10278 H2 WAT X2730 72.746 11.063 26.809 0.00 0.00 +ATOM 10279 O WAT X2731 36.433 14.342 33.074 0.00 0.00 +ATOM 10280 H1 WAT X2731 35.852 14.782 32.452 0.00 0.00 +ATOM 10281 H2 WAT X2731 37.129 13.973 32.530 0.00 0.00 +ATOM 10282 O WAT X2732 14.540 37.241 56.446 0.00 0.00 +ATOM 10283 H1 WAT X2732 14.863 36.340 56.475 0.00 0.00 +ATOM 10284 H2 WAT X2732 13.749 37.194 55.908 0.00 0.00 +ATOM 10285 O WAT X2733 64.761 3.193 6.357 0.00 0.00 +ATOM 10286 H1 WAT X2733 63.846 3.042 6.593 0.00 0.00 +ATOM 10287 H2 WAT X2733 64.833 2.870 5.459 0.00 0.00 +ATOM 10288 O WAT X2734 7.900 19.549 26.033 0.00 0.00 +ATOM 10289 H1 WAT X2734 7.547 19.573 26.922 0.00 0.00 +ATOM 10290 H2 WAT X2734 8.801 19.857 26.125 0.00 0.00 +ATOM 10291 O WAT X2735 34.281 28.160 10.119 0.00 0.00 +ATOM 10292 H1 WAT X2735 35.063 27.626 10.263 0.00 0.00 +ATOM 10293 H2 WAT X2735 33.762 27.659 9.490 0.00 0.00 +ATOM 10294 O WAT X2736 35.558 35.339 56.935 0.00 0.00 +ATOM 10295 H1 WAT X2736 35.131 34.577 57.326 0.00 0.00 +ATOM 10296 H2 WAT X2736 35.708 35.933 57.671 0.00 0.00 +ATOM 10297 O WAT X2737 35.504 48.613 47.763 0.00 0.00 +ATOM 10298 H1 WAT X2737 36.250 48.429 47.194 0.00 0.00 +ATOM 10299 H2 WAT X2737 35.031 49.317 47.319 0.00 0.00 +ATOM 10300 O WAT X2738 16.525 39.445 55.924 0.00 0.00 +ATOM 10301 H1 WAT X2738 15.933 38.704 56.051 0.00 0.00 +ATOM 10302 H2 WAT X2738 16.249 40.087 56.578 0.00 0.00 +ATOM 10303 O WAT X2739 11.548 59.449 18.706 0.00 0.00 +ATOM 10304 H1 WAT X2739 11.113 58.951 18.013 0.00 0.00 +ATOM 10305 H2 WAT X2739 10.839 59.917 19.146 0.00 0.00 +ATOM 10306 O WAT X2740 52.493 40.154 10.480 0.00 0.00 +ATOM 10307 H1 WAT X2740 53.261 39.669 10.782 0.00 0.00 +ATOM 10308 H2 WAT X2740 52.854 40.878 9.967 0.00 0.00 +ATOM 10309 O WAT X2741 68.182 50.903 17.188 0.00 0.00 +ATOM 10310 H1 WAT X2741 68.501 51.698 16.761 0.00 0.00 +ATOM 10311 H2 WAT X2741 68.229 50.231 16.508 0.00 0.00 +ATOM 10312 O WAT X2742 77.731 3.187 21.454 0.00 0.00 +ATOM 10313 H1 WAT X2742 77.942 3.774 20.727 0.00 0.00 +ATOM 10314 H2 WAT X2742 77.527 3.773 22.183 0.00 0.00 +ATOM 10315 O WAT X2743 60.023 56.706 57.061 0.00 0.00 +ATOM 10316 H1 WAT X2743 59.962 57.656 57.163 0.00 0.00 +ATOM 10317 H2 WAT X2743 60.711 56.443 57.671 0.00 0.00 +ATOM 10318 O WAT X2744 7.861 20.569 35.588 0.00 0.00 +ATOM 10319 H1 WAT X2744 7.034 20.481 36.063 0.00 0.00 +ATOM 10320 H2 WAT X2744 8.456 19.962 36.028 0.00 0.00 +ATOM 10321 O WAT X2745 57.264 17.077 4.915 0.00 0.00 +ATOM 10322 H1 WAT X2745 57.889 16.946 4.203 0.00 0.00 +ATOM 10323 H2 WAT X2745 57.731 17.625 5.546 0.00 0.00 +ATOM 10324 O WAT X2746 74.949 37.525 13.698 0.00 0.00 +ATOM 10325 H1 WAT X2746 75.227 37.598 12.785 0.00 0.00 +ATOM 10326 H2 WAT X2746 74.507 36.678 13.747 0.00 0.00 +ATOM 10327 O WAT X2747 73.080 7.015 52.650 0.00 0.00 +ATOM 10328 H1 WAT X2747 72.677 6.150 52.720 0.00 0.00 +ATOM 10329 H2 WAT X2747 72.512 7.496 52.047 0.00 0.00 +ATOM 10330 O WAT X2748 66.192 31.646 57.309 0.00 0.00 +ATOM 10331 H1 WAT X2748 67.136 31.674 57.464 0.00 0.00 +ATOM 10332 H2 WAT X2748 66.092 31.094 56.534 0.00 0.00 +ATOM 10333 O WAT X2749 64.663 30.799 22.628 0.00 0.00 +ATOM 10334 H1 WAT X2749 63.993 31.080 22.004 0.00 0.00 +ATOM 10335 H2 WAT X2749 64.689 29.846 22.538 0.00 0.00 +ATOM 10336 O WAT X2750 69.449 43.008 13.020 0.00 0.00 +ATOM 10337 H1 WAT X2750 70.221 42.870 13.569 0.00 0.00 +ATOM 10338 H2 WAT X2750 69.471 42.288 12.390 0.00 0.00 +ATOM 10339 O WAT X2751 23.140 62.251 46.272 0.00 0.00 +ATOM 10340 H1 WAT X2751 23.424 61.582 45.649 0.00 0.00 +ATOM 10341 H2 WAT X2751 23.323 61.872 47.131 0.00 0.00 +ATOM 10342 O WAT X2752 46.385 11.464 26.633 0.00 0.00 +ATOM 10343 H1 WAT X2752 45.922 11.762 27.416 0.00 0.00 +ATOM 10344 H2 WAT X2752 47.211 11.947 26.646 0.00 0.00 +ATOM 10345 O WAT X2753 74.521 24.716 11.271 0.00 0.00 +ATOM 10346 H1 WAT X2753 74.857 24.486 10.404 0.00 0.00 +ATOM 10347 H2 WAT X2753 75.224 25.226 11.673 0.00 0.00 +ATOM 10348 O WAT X2754 35.827 21.460 43.636 0.00 0.00 +ATOM 10349 H1 WAT X2754 36.600 21.352 44.191 0.00 0.00 +ATOM 10350 H2 WAT X2754 36.162 21.389 42.743 0.00 0.00 +ATOM 10351 O WAT X2755 46.387 55.888 57.748 0.00 0.00 +ATOM 10352 H1 WAT X2755 45.501 55.708 57.436 0.00 0.00 +ATOM 10353 H2 WAT X2755 46.272 56.140 58.664 0.00 0.00 +ATOM 10354 O WAT X2756 34.174 55.104 8.594 0.00 0.00 +ATOM 10355 H1 WAT X2756 33.424 54.561 8.350 0.00 0.00 +ATOM 10356 H2 WAT X2756 34.279 54.958 9.534 0.00 0.00 +ATOM 10357 O WAT X2757 75.923 27.981 29.096 0.00 0.00 +ATOM 10358 H1 WAT X2757 74.993 27.926 29.317 0.00 0.00 +ATOM 10359 H2 WAT X2757 75.982 27.613 28.215 0.00 0.00 +ATOM 10360 O WAT X2758 4.474 34.260 9.467 0.00 0.00 +ATOM 10361 H1 WAT X2758 4.578 33.523 10.069 0.00 0.00 +ATOM 10362 H2 WAT X2758 4.095 33.873 8.678 0.00 0.00 +ATOM 10363 O WAT X2759 75.883 44.683 9.628 0.00 0.00 +ATOM 10364 H1 WAT X2759 75.422 45.182 10.302 0.00 0.00 +ATOM 10365 H2 WAT X2759 76.327 45.346 9.100 0.00 0.00 +ATOM 10366 O WAT X2760 65.429 57.993 48.909 0.00 0.00 +ATOM 10367 H1 WAT X2760 65.198 58.694 49.518 0.00 0.00 +ATOM 10368 H2 WAT X2760 66.379 58.064 48.812 0.00 0.00 +ATOM 10369 O WAT X2761 5.354 27.975 23.311 0.00 0.00 +ATOM 10370 H1 WAT X2761 5.188 27.705 22.407 0.00 0.00 +ATOM 10371 H2 WAT X2761 5.213 27.182 23.828 0.00 0.00 +ATOM 10372 O WAT X2762 35.069 34.029 6.421 0.00 0.00 +ATOM 10373 H1 WAT X2762 35.841 33.948 5.861 0.00 0.00 +ATOM 10374 H2 WAT X2762 34.599 33.204 6.301 0.00 0.00 +ATOM 10375 O WAT X2763 58.652 8.914 36.719 0.00 0.00 +ATOM 10376 H1 WAT X2763 57.835 9.370 36.515 0.00 0.00 +ATOM 10377 H2 WAT X2763 59.340 9.512 36.426 0.00 0.00 +ATOM 10378 O WAT X2764 17.342 14.944 57.483 0.00 0.00 +ATOM 10379 H1 WAT X2764 16.914 15.286 58.268 0.00 0.00 +ATOM 10380 H2 WAT X2764 16.843 14.157 57.262 0.00 0.00 +ATOM 10381 O WAT X2765 18.550 13.108 40.944 0.00 0.00 +ATOM 10382 H1 WAT X2765 18.675 14.043 40.782 0.00 0.00 +ATOM 10383 H2 WAT X2765 18.703 13.004 41.883 0.00 0.00 +ATOM 10384 O WAT X2766 20.300 41.527 34.284 0.00 0.00 +ATOM 10385 H1 WAT X2766 19.838 41.214 35.062 0.00 0.00 +ATOM 10386 H2 WAT X2766 20.987 40.877 34.135 0.00 0.00 +ATOM 10387 O WAT X2767 54.213 28.028 44.689 0.00 0.00 +ATOM 10388 H1 WAT X2767 55.066 27.605 44.790 0.00 0.00 +ATOM 10389 H2 WAT X2767 54.325 28.891 45.086 0.00 0.00 +ATOM 10390 O WAT X2768 33.839 44.200 56.588 0.00 0.00 +ATOM 10391 H1 WAT X2768 33.769 44.731 57.381 0.00 0.00 +ATOM 10392 H2 WAT X2768 33.682 43.304 56.885 0.00 0.00 +ATOM 10393 O WAT X2769 67.489 44.719 24.745 0.00 0.00 +ATOM 10394 H1 WAT X2769 68.229 44.616 24.147 0.00 0.00 +ATOM 10395 H2 WAT X2769 67.567 43.982 25.351 0.00 0.00 +ATOM 10396 O WAT X2770 68.086 24.671 48.736 0.00 0.00 +ATOM 10397 H1 WAT X2770 67.250 24.895 48.327 0.00 0.00 +ATOM 10398 H2 WAT X2770 68.644 25.431 48.573 0.00 0.00 +ATOM 10399 O WAT X2771 72.336 52.044 43.902 0.00 0.00 +ATOM 10400 H1 WAT X2771 71.964 51.947 43.026 0.00 0.00 +ATOM 10401 H2 WAT X2771 72.982 52.744 43.812 0.00 0.00 +ATOM 10402 O WAT X2772 69.783 22.992 51.599 0.00 0.00 +ATOM 10403 H1 WAT X2772 69.187 22.250 51.698 0.00 0.00 +ATOM 10404 H2 WAT X2772 69.218 23.762 51.663 0.00 0.00 +ATOM 10405 O WAT X2773 60.054 28.610 46.371 0.00 0.00 +ATOM 10406 H1 WAT X2773 59.690 29.327 45.852 0.00 0.00 +ATOM 10407 H2 WAT X2773 59.536 28.611 47.176 0.00 0.00 +ATOM 10408 O WAT X2774 58.920 62.447 48.058 0.00 0.00 +ATOM 10409 H1 WAT X2774 59.364 61.640 47.795 0.00 0.00 +ATOM 10410 H2 WAT X2774 59.627 63.080 48.181 0.00 0.00 +ATOM 10411 O WAT X2775 26.308 3.244 45.013 0.00 0.00 +ATOM 10412 H1 WAT X2775 25.629 2.584 45.151 0.00 0.00 +ATOM 10413 H2 WAT X2775 26.546 3.154 44.090 0.00 0.00 +ATOM 10414 O WAT X2776 60.466 14.272 40.798 0.00 0.00 +ATOM 10415 H1 WAT X2776 60.656 13.596 41.449 0.00 0.00 +ATOM 10416 H2 WAT X2776 61.268 14.792 40.752 0.00 0.00 +ATOM 10417 O WAT X2777 40.445 27.148 42.225 0.00 0.00 +ATOM 10418 H1 WAT X2777 41.392 27.176 42.359 0.00 0.00 +ATOM 10419 H2 WAT X2777 40.094 27.774 42.859 0.00 0.00 +ATOM 10420 O WAT X2778 2.031 12.046 46.108 0.00 0.00 +ATOM 10421 H1 WAT X2778 1.835 12.094 45.172 0.00 0.00 +ATOM 10422 H2 WAT X2778 2.494 11.214 46.213 0.00 0.00 +ATOM 10423 O WAT X2779 38.815 52.303 22.215 0.00 0.00 +ATOM 10424 H1 WAT X2779 39.078 52.273 23.135 0.00 0.00 +ATOM 10425 H2 WAT X2779 38.235 51.549 22.107 0.00 0.00 +ATOM 10426 O WAT X2780 67.960 34.184 23.730 0.00 0.00 +ATOM 10427 H1 WAT X2780 68.074 34.633 24.567 0.00 0.00 +ATOM 10428 H2 WAT X2780 67.761 33.278 23.968 0.00 0.00 +ATOM 10429 O WAT X2781 55.543 5.456 50.982 0.00 0.00 +ATOM 10430 H1 WAT X2781 54.729 4.973 51.123 0.00 0.00 +ATOM 10431 H2 WAT X2781 56.222 4.897 51.359 0.00 0.00 +ATOM 10432 O WAT X2782 50.617 37.524 47.324 0.00 0.00 +ATOM 10433 H1 WAT X2782 49.679 37.366 47.424 0.00 0.00 +ATOM 10434 H2 WAT X2782 50.752 37.572 46.377 0.00 0.00 +ATOM 10435 O WAT X2783 57.667 50.143 50.239 0.00 0.00 +ATOM 10436 H1 WAT X2783 58.165 50.879 50.596 0.00 0.00 +ATOM 10437 H2 WAT X2783 56.771 50.290 50.543 0.00 0.00 +ATOM 10438 O WAT X2784 64.795 27.456 14.241 0.00 0.00 +ATOM 10439 H1 WAT X2784 65.247 28.291 14.123 0.00 0.00 +ATOM 10440 H2 WAT X2784 64.626 27.146 13.351 0.00 0.00 +ATOM 10441 O WAT X2785 71.128 46.056 6.098 0.00 0.00 +ATOM 10442 H1 WAT X2785 72.024 45.829 6.348 0.00 0.00 +ATOM 10443 H2 WAT X2785 70.632 45.249 6.232 0.00 0.00 +ATOM 10444 O WAT X2786 7.058 2.279 33.936 0.00 0.00 +ATOM 10445 H1 WAT X2786 7.170 1.731 34.712 0.00 0.00 +ATOM 10446 H2 WAT X2786 6.863 1.661 33.232 0.00 0.00 +ATOM 10447 O WAT X2787 12.326 12.983 28.862 0.00 0.00 +ATOM 10448 H1 WAT X2787 12.031 13.299 28.008 0.00 0.00 +ATOM 10449 H2 WAT X2787 13.281 12.966 28.794 0.00 0.00 +ATOM 10450 O WAT X2788 61.704 21.654 2.278 0.00 0.00 +ATOM 10451 H1 WAT X2788 61.323 21.159 3.003 0.00 0.00 +ATOM 10452 H2 WAT X2788 61.955 20.988 1.638 0.00 0.00 +ATOM 10453 O WAT X2789 11.549 15.136 55.391 0.00 0.00 +ATOM 10454 H1 WAT X2789 10.985 15.466 56.091 0.00 0.00 +ATOM 10455 H2 WAT X2789 10.942 14.768 54.748 0.00 0.00 +ATOM 10456 O WAT X2790 4.098 12.157 52.258 0.00 0.00 +ATOM 10457 H1 WAT X2790 3.654 11.874 51.459 0.00 0.00 +ATOM 10458 H2 WAT X2790 5.001 12.318 51.986 0.00 0.00 +ATOM 10459 O WAT X2791 50.250 16.747 24.859 0.00 0.00 +ATOM 10460 H1 WAT X2791 49.955 16.384 25.694 0.00 0.00 +ATOM 10461 H2 WAT X2791 50.662 17.579 25.091 0.00 0.00 +ATOM 10462 O WAT X2792 22.187 12.545 40.792 0.00 0.00 +ATOM 10463 H1 WAT X2792 22.454 11.631 40.888 0.00 0.00 +ATOM 10464 H2 WAT X2792 21.280 12.499 40.490 0.00 0.00 +ATOM 10465 O WAT X2793 -0.096 14.063 10.238 0.00 0.00 +ATOM 10466 H1 WAT X2793 0.283 13.185 10.203 0.00 0.00 +ATOM 10467 H2 WAT X2793 0.647 14.650 10.101 0.00 0.00 +ATOM 10468 O WAT X2794 61.122 16.245 18.339 0.00 0.00 +ATOM 10469 H1 WAT X2794 60.466 15.704 18.778 0.00 0.00 +ATOM 10470 H2 WAT X2794 60.614 16.925 17.896 0.00 0.00 +ATOM 10471 O WAT X2795 23.748 0.108 30.114 0.00 0.00 +ATOM 10472 H1 WAT X2795 22.893 -0.301 29.984 0.00 0.00 +ATOM 10473 H2 WAT X2795 24.002 0.416 29.244 0.00 0.00 +ATOM 10474 O WAT X2796 12.115 28.782 2.126 0.00 0.00 +ATOM 10475 H1 WAT X2796 11.201 29.049 2.030 0.00 0.00 +ATOM 10476 H2 WAT X2796 12.412 29.227 2.920 0.00 0.00 +ATOM 10477 O WAT X2797 45.194 47.509 8.796 0.00 0.00 +ATOM 10478 H1 WAT X2797 46.095 47.227 8.954 0.00 0.00 +ATOM 10479 H2 WAT X2797 44.940 47.960 9.601 0.00 0.00 +ATOM 10480 O WAT X2798 64.784 32.267 8.097 0.00 0.00 +ATOM 10481 H1 WAT X2798 65.511 32.888 8.128 0.00 0.00 +ATOM 10482 H2 WAT X2798 65.099 31.554 7.541 0.00 0.00 +ATOM 10483 O WAT X2799 25.822 0.651 34.248 0.00 0.00 +ATOM 10484 H1 WAT X2799 25.464 1.247 33.589 0.00 0.00 +ATOM 10485 H2 WAT X2799 25.672 1.097 35.081 0.00 0.00 +ATOM 10486 O WAT X2800 8.058 18.828 22.792 0.00 0.00 +ATOM 10487 H1 WAT X2800 8.799 18.393 22.369 0.00 0.00 +ATOM 10488 H2 WAT X2800 8.248 18.767 23.728 0.00 0.00 +ATOM 10489 O WAT X2801 19.882 1.199 55.111 0.00 0.00 +ATOM 10490 H1 WAT X2801 20.271 0.805 54.331 0.00 0.00 +ATOM 10491 H2 WAT X2801 19.371 0.493 55.507 0.00 0.00 +ATOM 10492 O WAT X2802 55.105 60.928 26.028 0.00 0.00 +ATOM 10493 H1 WAT X2802 55.794 60.883 26.691 0.00 0.00 +ATOM 10494 H2 WAT X2802 55.096 60.057 25.632 0.00 0.00 +ATOM 10495 O WAT X2803 33.306 42.857 39.717 0.00 0.00 +ATOM 10496 H1 WAT X2803 33.491 43.751 40.007 0.00 0.00 +ATOM 10497 H2 WAT X2803 34.140 42.397 39.814 0.00 0.00 +ATOM 10498 O WAT X2804 6.496 30.042 56.389 0.00 0.00 +ATOM 10499 H1 WAT X2804 6.023 30.092 55.558 0.00 0.00 +ATOM 10500 H2 WAT X2804 7.135 29.341 56.260 0.00 0.00 +ATOM 10501 O WAT X2805 51.136 47.505 36.272 0.00 0.00 +ATOM 10502 H1 WAT X2805 51.289 48.253 35.694 0.00 0.00 +ATOM 10503 H2 WAT X2805 50.250 47.214 36.058 0.00 0.00 +ATOM 10504 O WAT X2806 61.228 49.733 16.922 0.00 0.00 +ATOM 10505 H1 WAT X2806 62.177 49.612 16.878 0.00 0.00 +ATOM 10506 H2 WAT X2806 61.109 50.683 16.940 0.00 0.00 +ATOM 10507 O WAT X2807 59.082 23.334 57.130 0.00 0.00 +ATOM 10508 H1 WAT X2807 58.410 23.896 57.517 0.00 0.00 +ATOM 10509 H2 WAT X2807 59.883 23.557 57.604 0.00 0.00 +ATOM 10510 O WAT X2808 15.767 59.528 26.990 0.00 0.00 +ATOM 10511 H1 WAT X2808 15.267 58.817 26.588 0.00 0.00 +ATOM 10512 H2 WAT X2808 16.096 60.037 26.249 0.00 0.00 +ATOM 10513 O WAT X2809 73.447 7.416 20.997 0.00 0.00 +ATOM 10514 H1 WAT X2809 73.329 8.310 21.319 0.00 0.00 +ATOM 10515 H2 WAT X2809 72.563 7.121 20.779 0.00 0.00 +ATOM 10516 O WAT X2810 4.794 50.625 21.931 0.00 0.00 +ATOM 10517 H1 WAT X2810 5.042 51.440 22.367 0.00 0.00 +ATOM 10518 H2 WAT X2810 3.902 50.781 21.620 0.00 0.00 +ATOM 10519 O WAT X2811 18.346 46.645 2.277 0.00 0.00 +ATOM 10520 H1 WAT X2811 17.593 47.064 2.694 0.00 0.00 +ATOM 10521 H2 WAT X2811 18.935 46.433 3.001 0.00 0.00 +ATOM 10522 O WAT X2812 72.226 10.961 39.710 0.00 0.00 +ATOM 10523 H1 WAT X2812 71.839 10.110 39.503 0.00 0.00 +ATOM 10524 H2 WAT X2812 73.170 10.817 39.645 0.00 0.00 +ATOM 10525 O WAT X2813 7.137 31.371 14.623 0.00 0.00 +ATOM 10526 H1 WAT X2813 7.253 30.464 14.905 0.00 0.00 +ATOM 10527 H2 WAT X2813 6.316 31.367 14.131 0.00 0.00 +ATOM 10528 O WAT X2814 73.719 56.897 50.362 0.00 0.00 +ATOM 10529 H1 WAT X2814 74.301 57.379 50.950 0.00 0.00 +ATOM 10530 H2 WAT X2814 73.599 57.480 49.612 0.00 0.00 +ATOM 10531 O WAT X2815 9.252 38.124 3.440 0.00 0.00 +ATOM 10532 H1 WAT X2815 9.337 38.979 3.861 0.00 0.00 +ATOM 10533 H2 WAT X2815 9.891 37.570 3.889 0.00 0.00 +ATOM 10534 O WAT X2816 3.921 7.400 24.818 0.00 0.00 +ATOM 10535 H1 WAT X2816 4.870 7.275 24.841 0.00 0.00 +ATOM 10536 H2 WAT X2816 3.679 7.229 23.908 0.00 0.00 +ATOM 10537 O WAT X2817 22.035 11.078 55.400 0.00 0.00 +ATOM 10538 H1 WAT X2817 22.956 11.298 55.259 0.00 0.00 +ATOM 10539 H2 WAT X2817 22.031 10.578 56.217 0.00 0.00 +ATOM 10540 O WAT X2818 32.629 33.917 1.882 0.00 0.00 +ATOM 10541 H1 WAT X2818 32.731 33.222 2.532 0.00 0.00 +ATOM 10542 H2 WAT X2818 31.878 34.424 2.190 0.00 0.00 +ATOM 10543 O WAT X2819 60.236 60.174 36.119 0.00 0.00 +ATOM 10544 H1 WAT X2819 59.565 60.770 35.787 0.00 0.00 +ATOM 10545 H2 WAT X2819 60.658 59.827 35.333 0.00 0.00 +ATOM 10546 O WAT X2820 2.013 39.143 11.630 0.00 0.00 +ATOM 10547 H1 WAT X2820 1.585 38.400 12.057 0.00 0.00 +ATOM 10548 H2 WAT X2820 2.893 38.828 11.426 0.00 0.00 +ATOM 10549 O WAT X2821 74.615 24.639 55.396 0.00 0.00 +ATOM 10550 H1 WAT X2821 74.702 24.148 56.213 0.00 0.00 +ATOM 10551 H2 WAT X2821 74.479 23.969 54.726 0.00 0.00 +ATOM 10552 O WAT X2822 37.334 10.923 8.233 0.00 0.00 +ATOM 10553 H1 WAT X2822 37.691 11.661 8.727 0.00 0.00 +ATOM 10554 H2 WAT X2822 37.030 10.311 8.902 0.00 0.00 +ATOM 10555 O WAT X2823 11.363 14.970 45.340 0.00 0.00 +ATOM 10556 H1 WAT X2823 11.234 14.423 44.565 0.00 0.00 +ATOM 10557 H2 WAT X2823 12.174 15.446 45.165 0.00 0.00 +ATOM 10558 O WAT X2824 54.458 31.922 15.549 0.00 0.00 +ATOM 10559 H1 WAT X2824 54.708 31.950 14.625 0.00 0.00 +ATOM 10560 H2 WAT X2824 55.077 31.311 15.947 0.00 0.00 +ATOM 10561 O WAT X2825 5.641 39.948 35.385 0.00 0.00 +ATOM 10562 H1 WAT X2825 5.571 39.792 36.326 0.00 0.00 +ATOM 10563 H2 WAT X2825 5.660 40.901 35.301 0.00 0.00 +ATOM 10564 O WAT X2826 24.762 7.109 39.495 0.00 0.00 +ATOM 10565 H1 WAT X2826 24.817 6.588 40.296 0.00 0.00 +ATOM 10566 H2 WAT X2826 24.267 7.888 39.749 0.00 0.00 +ATOM 10567 O WAT X2827 66.123 31.491 28.102 0.00 0.00 +ATOM 10568 H1 WAT X2827 66.880 31.773 27.588 0.00 0.00 +ATOM 10569 H2 WAT X2827 66.248 31.901 28.957 0.00 0.00 +ATOM 10570 O WAT X2828 35.058 14.452 6.971 0.00 0.00 +ATOM 10571 H1 WAT X2828 35.179 15.320 6.587 0.00 0.00 +ATOM 10572 H2 WAT X2828 34.874 14.622 7.895 0.00 0.00 +ATOM 10573 O WAT X2829 5.300 27.083 9.513 0.00 0.00 +ATOM 10574 H1 WAT X2829 5.983 26.478 9.802 0.00 0.00 +ATOM 10575 H2 WAT X2829 4.860 26.623 8.798 0.00 0.00 +ATOM 10576 O WAT X2830 44.934 30.413 0.183 0.00 0.00 +ATOM 10577 H1 WAT X2830 44.664 30.704 1.054 0.00 0.00 +ATOM 10578 H2 WAT X2830 45.230 31.211 -0.254 0.00 0.00 +ATOM 10579 O WAT X2831 72.986 8.180 57.036 0.00 0.00 +ATOM 10580 H1 WAT X2831 73.707 7.881 56.482 0.00 0.00 +ATOM 10581 H2 WAT X2831 72.677 7.388 57.475 0.00 0.00 +ATOM 10582 O WAT X2832 73.908 22.288 30.546 0.00 0.00 +ATOM 10583 H1 WAT X2832 74.612 22.596 29.975 0.00 0.00 +ATOM 10584 H2 WAT X2832 74.293 21.553 31.024 0.00 0.00 +ATOM 10585 O WAT X2833 2.010 26.590 28.022 0.00 0.00 +ATOM 10586 H1 WAT X2833 1.907 26.011 28.778 0.00 0.00 +ATOM 10587 H2 WAT X2833 2.905 26.434 27.721 0.00 0.00 +ATOM 10588 O WAT X2834 31.761 57.849 37.208 0.00 0.00 +ATOM 10589 H1 WAT X2834 31.444 58.667 36.826 0.00 0.00 +ATOM 10590 H2 WAT X2834 30.969 57.337 37.370 0.00 0.00 +ATOM 10591 O WAT X2835 6.227 47.932 33.441 0.00 0.00 +ATOM 10592 H1 WAT X2835 5.542 47.270 33.350 0.00 0.00 +ATOM 10593 H2 WAT X2835 6.068 48.541 32.719 0.00 0.00 +ATOM 10594 O WAT X2836 36.709 18.474 8.829 0.00 0.00 +ATOM 10595 H1 WAT X2836 36.418 18.934 8.042 0.00 0.00 +ATOM 10596 H2 WAT X2836 36.157 18.825 9.528 0.00 0.00 +ATOM 10597 O WAT X2837 69.195 5.857 8.910 0.00 0.00 +ATOM 10598 H1 WAT X2837 68.640 6.029 8.149 0.00 0.00 +ATOM 10599 H2 WAT X2837 70.047 5.631 8.539 0.00 0.00 +ATOM 10600 O WAT X2838 74.536 29.414 54.885 0.00 0.00 +ATOM 10601 H1 WAT X2838 74.211 28.597 54.508 0.00 0.00 +ATOM 10602 H2 WAT X2838 74.158 30.100 54.335 0.00 0.00 +ATOM 10603 O WAT X2839 43.504 21.855 10.313 0.00 0.00 +ATOM 10604 H1 WAT X2839 43.413 21.085 10.874 0.00 0.00 +ATOM 10605 H2 WAT X2839 43.176 22.580 10.846 0.00 0.00 +ATOM 10606 O WAT X2840 23.788 3.878 50.378 0.00 0.00 +ATOM 10607 H1 WAT X2840 24.483 3.421 49.904 0.00 0.00 +ATOM 10608 H2 WAT X2840 23.117 4.047 49.717 0.00 0.00 +ATOM 10609 O WAT X2841 26.230 14.540 5.184 0.00 0.00 +ATOM 10610 H1 WAT X2841 27.080 14.447 4.752 0.00 0.00 +ATOM 10611 H2 WAT X2841 26.383 14.242 6.080 0.00 0.00 +ATOM 10612 O WAT X2842 39.431 25.683 36.357 0.00 0.00 +ATOM 10613 H1 WAT X2842 39.365 24.946 36.965 0.00 0.00 +ATOM 10614 H2 WAT X2842 39.730 25.290 35.537 0.00 0.00 +ATOM 10615 O WAT X2843 37.878 37.880 8.311 0.00 0.00 +ATOM 10616 H1 WAT X2843 37.572 38.683 8.734 0.00 0.00 +ATOM 10617 H2 WAT X2843 38.711 37.686 8.741 0.00 0.00 +ATOM 10618 O WAT X2844 44.375 17.164 23.508 0.00 0.00 +ATOM 10619 H1 WAT X2844 44.411 16.288 23.890 0.00 0.00 +ATOM 10620 H2 WAT X2844 44.110 17.731 24.233 0.00 0.00 +ATOM 10621 O WAT X2845 75.769 19.412 16.130 0.00 0.00 +ATOM 10622 H1 WAT X2845 75.850 19.220 15.196 0.00 0.00 +ATOM 10623 H2 WAT X2845 76.671 19.531 16.429 0.00 0.00 +ATOM 10624 O WAT X2846 39.751 36.708 2.202 0.00 0.00 +ATOM 10625 H1 WAT X2846 40.587 36.515 2.626 0.00 0.00 +ATOM 10626 H2 WAT X2846 39.739 36.143 1.429 0.00 0.00 +ATOM 10627 O WAT X2847 43.979 0.561 43.172 0.00 0.00 +ATOM 10628 H1 WAT X2847 44.511 0.684 43.958 0.00 0.00 +ATOM 10629 H2 WAT X2847 43.102 0.843 43.430 0.00 0.00 +ATOM 10630 O WAT X2848 51.477 13.367 11.902 0.00 0.00 +ATOM 10631 H1 WAT X2848 51.043 12.535 11.714 0.00 0.00 +ATOM 10632 H2 WAT X2848 50.810 14.030 11.726 0.00 0.00 +ATOM 10633 O WAT X2849 18.583 44.767 18.213 0.00 0.00 +ATOM 10634 H1 WAT X2849 18.815 45.394 17.528 0.00 0.00 +ATOM 10635 H2 WAT X2849 19.125 44.000 18.028 0.00 0.00 +ATOM 10636 O WAT X2850 1.015 60.749 25.905 0.00 0.00 +ATOM 10637 H1 WAT X2850 1.075 61.636 26.259 0.00 0.00 +ATOM 10638 H2 WAT X2850 0.392 60.820 25.182 0.00 0.00 +ATOM 10639 O WAT X2851 14.337 39.715 27.593 0.00 0.00 +ATOM 10640 H1 WAT X2851 15.119 40.129 27.230 0.00 0.00 +ATOM 10641 H2 WAT X2851 13.654 39.880 26.943 0.00 0.00 +ATOM 10642 O WAT X2852 7.113 55.023 38.727 0.00 0.00 +ATOM 10643 H1 WAT X2852 7.979 54.727 39.005 0.00 0.00 +ATOM 10644 H2 WAT X2852 6.625 54.216 38.561 0.00 0.00 +ATOM 10645 O WAT X2853 75.050 56.739 20.163 0.00 0.00 +ATOM 10646 H1 WAT X2853 75.025 56.878 21.110 0.00 0.00 +ATOM 10647 H2 WAT X2853 74.271 57.187 19.834 0.00 0.00 +ATOM 10648 O WAT X2854 73.981 50.578 50.476 0.00 0.00 +ATOM 10649 H1 WAT X2854 73.263 50.870 51.038 0.00 0.00 +ATOM 10650 H2 WAT X2854 73.614 50.589 49.593 0.00 0.00 +ATOM 10651 O WAT X2855 5.349 18.437 35.223 0.00 0.00 +ATOM 10652 H1 WAT X2855 5.958 19.102 34.903 0.00 0.00 +ATOM 10653 H2 WAT X2855 5.473 18.435 36.172 0.00 0.00 +ATOM 10654 O WAT X2856 20.197 46.977 26.776 0.00 0.00 +ATOM 10655 H1 WAT X2856 19.860 47.389 25.980 0.00 0.00 +ATOM 10656 H2 WAT X2856 21.067 47.358 26.893 0.00 0.00 +ATOM 10657 O WAT X2857 53.101 29.680 26.491 0.00 0.00 +ATOM 10658 H1 WAT X2857 53.936 29.245 26.319 0.00 0.00 +ATOM 10659 H2 WAT X2857 52.527 28.981 26.804 0.00 0.00 +ATOM 10660 O WAT X2858 77.924 45.277 57.712 0.00 0.00 +ATOM 10661 H1 WAT X2858 77.438 44.525 58.052 0.00 0.00 +ATOM 10662 H2 WAT X2858 77.971 45.126 56.768 0.00 0.00 +ATOM 10663 O WAT X2859 74.033 27.262 32.523 0.00 0.00 +ATOM 10664 H1 WAT X2859 73.254 26.850 32.897 0.00 0.00 +ATOM 10665 H2 WAT X2859 74.681 26.558 32.486 0.00 0.00 +ATOM 10666 O WAT X2860 18.303 9.866 26.516 0.00 0.00 +ATOM 10667 H1 WAT X2860 18.060 9.163 27.118 0.00 0.00 +ATOM 10668 H2 WAT X2860 18.514 9.418 25.697 0.00 0.00 +ATOM 10669 O WAT X2861 1.473 5.269 12.604 0.00 0.00 +ATOM 10670 H1 WAT X2861 0.823 5.966 12.521 0.00 0.00 +ATOM 10671 H2 WAT X2861 2.316 5.715 12.517 0.00 0.00 +ATOM 10672 O WAT X2862 39.067 3.772 31.555 0.00 0.00 +ATOM 10673 H1 WAT X2862 38.555 3.273 32.191 0.00 0.00 +ATOM 10674 H2 WAT X2862 39.384 3.116 30.935 0.00 0.00 +ATOM 10675 O WAT X2863 66.294 42.726 42.573 0.00 0.00 +ATOM 10676 H1 WAT X2863 66.392 42.355 43.450 0.00 0.00 +ATOM 10677 H2 WAT X2863 66.070 43.644 42.725 0.00 0.00 +ATOM 10678 O WAT X2864 39.346 45.224 2.611 0.00 0.00 +ATOM 10679 H1 WAT X2864 39.525 45.722 1.813 0.00 0.00 +ATOM 10680 H2 WAT X2864 38.391 45.214 2.678 0.00 0.00 +ATOM 10681 O WAT X2865 59.596 15.917 47.056 0.00 0.00 +ATOM 10682 H1 WAT X2865 59.023 15.285 47.491 0.00 0.00 +ATOM 10683 H2 WAT X2865 59.465 15.756 46.122 0.00 0.00 +ATOM 10684 O WAT X2866 0.516 35.146 40.174 0.00 0.00 +ATOM 10685 H1 WAT X2866 -0.320 35.072 40.634 0.00 0.00 +ATOM 10686 H2 WAT X2866 0.369 34.705 39.338 0.00 0.00 +ATOM 10687 O WAT X2867 3.876 6.399 12.157 0.00 0.00 +ATOM 10688 H1 WAT X2867 4.153 6.584 11.260 0.00 0.00 +ATOM 10689 H2 WAT X2867 4.633 6.634 12.695 0.00 0.00 +ATOM 10690 O WAT X2868 13.819 48.798 20.103 0.00 0.00 +ATOM 10691 H1 WAT X2868 13.112 49.407 19.890 0.00 0.00 +ATOM 10692 H2 WAT X2868 13.598 48.469 20.974 0.00 0.00 +ATOM 10693 O WAT X2869 7.198 22.630 25.396 0.00 0.00 +ATOM 10694 H1 WAT X2869 7.873 22.702 24.721 0.00 0.00 +ATOM 10695 H2 WAT X2869 6.981 21.698 25.420 0.00 0.00 +ATOM 10696 O WAT X2870 61.610 3.732 53.024 0.00 0.00 +ATOM 10697 H1 WAT X2870 60.751 4.104 53.222 0.00 0.00 +ATOM 10698 H2 WAT X2870 61.778 3.985 52.116 0.00 0.00 +ATOM 10699 O WAT X2871 51.438 52.155 40.978 0.00 0.00 +ATOM 10700 H1 WAT X2871 51.591 52.275 41.915 0.00 0.00 +ATOM 10701 H2 WAT X2871 52.191 52.571 40.557 0.00 0.00 +ATOM 10702 O WAT X2872 70.470 25.135 29.121 0.00 0.00 +ATOM 10703 H1 WAT X2872 70.704 24.677 28.314 0.00 0.00 +ATOM 10704 H2 WAT X2872 70.882 24.621 29.816 0.00 0.00 +ATOM 10705 O WAT X2873 68.958 61.843 47.824 0.00 0.00 +ATOM 10706 H1 WAT X2873 69.108 62.718 48.182 0.00 0.00 +ATOM 10707 H2 WAT X2873 69.491 61.815 47.029 0.00 0.00 +ATOM 10708 O WAT X2874 0.845 17.621 57.010 0.00 0.00 +ATOM 10709 H1 WAT X2874 0.249 16.974 57.389 0.00 0.00 +ATOM 10710 H2 WAT X2874 1.082 17.257 56.157 0.00 0.00 +ATOM 10711 O WAT X2875 45.509 13.601 20.216 0.00 0.00 +ATOM 10712 H1 WAT X2875 45.785 13.062 19.475 0.00 0.00 +ATOM 10713 H2 WAT X2875 44.587 13.376 20.346 0.00 0.00 +ATOM 10714 O WAT X2876 53.269 8.511 12.904 0.00 0.00 +ATOM 10715 H1 WAT X2876 53.709 8.440 13.751 0.00 0.00 +ATOM 10716 H2 WAT X2876 53.895 8.975 12.347 0.00 0.00 +ATOM 10717 O WAT X2877 71.712 29.534 1.287 0.00 0.00 +ATOM 10718 H1 WAT X2877 70.756 29.504 1.303 0.00 0.00 +ATOM 10719 H2 WAT X2877 71.943 29.343 0.378 0.00 0.00 +ATOM 10720 O WAT X2878 55.397 55.496 1.855 0.00 0.00 +ATOM 10721 H1 WAT X2878 54.559 55.948 1.952 0.00 0.00 +ATOM 10722 H2 WAT X2878 55.329 54.738 2.435 0.00 0.00 +ATOM 10723 O WAT X2879 50.775 5.044 22.927 0.00 0.00 +ATOM 10724 H1 WAT X2879 51.550 5.154 22.375 0.00 0.00 +ATOM 10725 H2 WAT X2879 51.092 4.562 23.691 0.00 0.00 +ATOM 10726 O WAT X2880 1.408 35.571 7.417 0.00 0.00 +ATOM 10727 H1 WAT X2880 2.143 34.980 7.585 0.00 0.00 +ATOM 10728 H2 WAT X2880 0.809 35.421 8.148 0.00 0.00 +ATOM 10729 O WAT X2881 47.440 24.229 58.185 0.00 0.00 +ATOM 10730 H1 WAT X2881 47.599 25.133 58.456 0.00 0.00 +ATOM 10731 H2 WAT X2881 48.185 24.013 57.623 0.00 0.00 +ATOM 10732 O WAT X2882 19.453 -0.113 15.910 0.00 0.00 +ATOM 10733 H1 WAT X2882 18.619 -0.410 15.545 0.00 0.00 +ATOM 10734 H2 WAT X2882 19.587 0.754 15.525 0.00 0.00 +ATOM 10735 O WAT X2883 52.151 12.080 46.628 0.00 0.00 +ATOM 10736 H1 WAT X2883 53.047 12.325 46.861 0.00 0.00 +ATOM 10737 H2 WAT X2883 51.686 12.913 46.556 0.00 0.00 +ATOM 10738 O WAT X2884 31.428 54.371 54.086 0.00 0.00 +ATOM 10739 H1 WAT X2884 30.974 53.530 54.030 0.00 0.00 +ATOM 10740 H2 WAT X2884 31.104 54.868 53.335 0.00 0.00 +ATOM 10741 O WAT X2885 27.163 54.612 11.910 0.00 0.00 +ATOM 10742 H1 WAT X2885 27.523 53.726 11.876 0.00 0.00 +ATOM 10743 H2 WAT X2885 26.227 54.497 11.744 0.00 0.00 +ATOM 10744 O WAT X2886 34.403 41.961 8.516 0.00 0.00 +ATOM 10745 H1 WAT X2886 34.170 42.674 7.920 0.00 0.00 +ATOM 10746 H2 WAT X2886 34.072 41.172 8.086 0.00 0.00 +ATOM 10747 O WAT X2887 49.685 44.073 0.940 0.00 0.00 +ATOM 10748 H1 WAT X2887 49.071 43.482 1.377 0.00 0.00 +ATOM 10749 H2 WAT X2887 49.469 44.940 1.283 0.00 0.00 +ATOM 10750 O WAT X2888 28.634 6.624 53.242 0.00 0.00 +ATOM 10751 H1 WAT X2888 28.741 7.476 52.821 0.00 0.00 +ATOM 10752 H2 WAT X2888 27.731 6.626 53.560 0.00 0.00 +ATOM 10753 O WAT X2889 13.804 43.333 42.224 0.00 0.00 +ATOM 10754 H1 WAT X2889 13.900 42.864 43.053 0.00 0.00 +ATOM 10755 H2 WAT X2889 13.635 44.240 42.481 0.00 0.00 +ATOM 10756 O WAT X2890 8.566 25.247 7.967 0.00 0.00 +ATOM 10757 H1 WAT X2890 7.949 24.900 7.323 0.00 0.00 +ATOM 10758 H2 WAT X2890 8.657 24.546 8.613 0.00 0.00 +ATOM 10759 O WAT X2891 52.609 9.800 54.807 0.00 0.00 +ATOM 10760 H1 WAT X2891 51.755 9.881 54.382 0.00 0.00 +ATOM 10761 H2 WAT X2891 52.627 8.902 55.138 0.00 0.00 +ATOM 10762 O WAT X2892 2.960 20.460 18.700 0.00 0.00 +ATOM 10763 H1 WAT X2892 2.964 20.426 17.744 0.00 0.00 +ATOM 10764 H2 WAT X2892 2.609 21.326 18.908 0.00 0.00 +ATOM 10765 O WAT X2893 63.051 8.076 9.354 0.00 0.00 +ATOM 10766 H1 WAT X2893 63.150 8.268 10.286 0.00 0.00 +ATOM 10767 H2 WAT X2893 62.108 8.129 9.197 0.00 0.00 +ATOM 10768 O WAT X2894 27.794 18.246 4.186 0.00 0.00 +ATOM 10769 H1 WAT X2894 28.491 17.608 4.338 0.00 0.00 +ATOM 10770 H2 WAT X2894 27.109 17.750 3.737 0.00 0.00 +ATOM 10771 O WAT X2895 32.740 9.793 23.862 0.00 0.00 +ATOM 10772 H1 WAT X2895 32.374 9.747 24.746 0.00 0.00 +ATOM 10773 H2 WAT X2895 32.712 8.890 23.545 0.00 0.00 +ATOM 10774 O WAT X2896 61.813 58.791 40.378 0.00 0.00 +ATOM 10775 H1 WAT X2896 61.423 59.582 40.750 0.00 0.00 +ATOM 10776 H2 WAT X2896 61.295 58.615 39.593 0.00 0.00 +ATOM 10777 O WAT X2897 54.050 52.501 30.313 0.00 0.00 +ATOM 10778 H1 WAT X2897 54.913 52.841 30.552 0.00 0.00 +ATOM 10779 H2 WAT X2897 53.952 52.727 29.388 0.00 0.00 +ATOM 10780 O WAT X2898 44.399 32.308 55.251 0.00 0.00 +ATOM 10781 H1 WAT X2898 43.471 32.372 55.026 0.00 0.00 +ATOM 10782 H2 WAT X2898 44.415 32.329 56.208 0.00 0.00 +ATOM 10783 O WAT X2899 55.926 54.170 42.183 0.00 0.00 +ATOM 10784 H1 WAT X2899 55.910 53.777 43.056 0.00 0.00 +ATOM 10785 H2 WAT X2899 56.307 55.038 42.319 0.00 0.00 +ATOM 10786 O WAT X2900 11.904 17.013 17.817 0.00 0.00 +ATOM 10787 H1 WAT X2900 11.844 16.064 17.709 0.00 0.00 +ATOM 10788 H2 WAT X2900 11.163 17.358 17.318 0.00 0.00 +ATOM 10789 O WAT X2901 52.976 14.552 33.245 0.00 0.00 +ATOM 10790 H1 WAT X2901 53.329 15.087 33.955 0.00 0.00 +ATOM 10791 H2 WAT X2901 52.921 13.670 33.613 0.00 0.00 +ATOM 10792 O WAT X2902 64.945 12.733 49.019 0.00 0.00 +ATOM 10793 H1 WAT X2902 64.502 12.691 49.866 0.00 0.00 +ATOM 10794 H2 WAT X2902 65.875 12.789 49.237 0.00 0.00 +ATOM 10795 O WAT X2903 36.677 5.115 30.301 0.00 0.00 +ATOM 10796 H1 WAT X2903 36.187 5.720 30.858 0.00 0.00 +ATOM 10797 H2 WAT X2903 37.336 4.735 30.882 0.00 0.00 +ATOM 10798 O WAT X2904 75.100 14.331 56.575 0.00 0.00 +ATOM 10799 H1 WAT X2904 74.475 13.796 57.064 0.00 0.00 +ATOM 10800 H2 WAT X2904 75.250 15.094 57.133 0.00 0.00 +ATOM 10801 O WAT X2905 19.806 22.409 8.411 0.00 0.00 +ATOM 10802 H1 WAT X2905 19.005 22.043 8.036 0.00 0.00 +ATOM 10803 H2 WAT X2905 19.861 22.021 9.284 0.00 0.00 +ATOM 10804 O WAT X2906 53.221 12.932 17.015 0.00 0.00 +ATOM 10805 H1 WAT X2906 52.787 13.282 17.793 0.00 0.00 +ATOM 10806 H2 WAT X2906 53.951 13.532 16.858 0.00 0.00 +ATOM 10807 O WAT X2907 68.744 21.585 11.826 0.00 0.00 +ATOM 10808 H1 WAT X2907 69.697 21.630 11.742 0.00 0.00 +ATOM 10809 H2 WAT X2907 68.445 22.477 11.648 0.00 0.00 +ATOM 10810 O WAT X2908 56.220 46.918 49.839 0.00 0.00 +ATOM 10811 H1 WAT X2908 56.852 47.339 49.257 0.00 0.00 +ATOM 10812 H2 WAT X2908 56.173 47.496 50.601 0.00 0.00 +ATOM 10813 O WAT X2909 67.898 12.590 13.585 0.00 0.00 +ATOM 10814 H1 WAT X2909 67.742 11.651 13.486 0.00 0.00 +ATOM 10815 H2 WAT X2909 68.311 12.852 12.762 0.00 0.00 +ATOM 10816 O WAT X2910 43.978 48.704 10.919 0.00 0.00 +ATOM 10817 H1 WAT X2910 43.156 48.551 10.454 0.00 0.00 +ATOM 10818 H2 WAT X2910 43.747 49.314 11.620 0.00 0.00 +ATOM 10819 O WAT X2911 22.051 9.196 1.914 0.00 0.00 +ATOM 10820 H1 WAT X2911 21.774 8.340 2.240 0.00 0.00 +ATOM 10821 H2 WAT X2911 22.336 9.669 2.695 0.00 0.00 +ATOM 10822 O WAT X2912 3.795 33.425 57.189 0.00 0.00 +ATOM 10823 H1 WAT X2912 4.445 34.053 56.874 0.00 0.00 +ATOM 10824 H2 WAT X2912 4.293 32.623 57.344 0.00 0.00 +ATOM 10825 O WAT X2913 68.041 27.852 51.185 0.00 0.00 +ATOM 10826 H1 WAT X2913 68.416 27.084 51.616 0.00 0.00 +ATOM 10827 H2 WAT X2913 68.668 28.071 50.496 0.00 0.00 +ATOM 10828 O WAT X2914 43.821 8.057 3.363 0.00 0.00 +ATOM 10829 H1 WAT X2914 44.310 8.479 4.069 0.00 0.00 +ATOM 10830 H2 WAT X2914 43.029 7.724 3.786 0.00 0.00 +ATOM 10831 O WAT X2915 64.202 27.018 35.281 0.00 0.00 +ATOM 10832 H1 WAT X2915 64.613 26.739 34.462 0.00 0.00 +ATOM 10833 H2 WAT X2915 63.787 26.225 35.623 0.00 0.00 +ATOM 10834 O WAT X2916 69.449 49.709 3.577 0.00 0.00 +ATOM 10835 H1 WAT X2916 70.033 49.124 4.060 0.00 0.00 +ATOM 10836 H2 WAT X2916 69.432 49.351 2.689 0.00 0.00 +ATOM 10837 O WAT X2917 63.707 57.640 29.069 0.00 0.00 +ATOM 10838 H1 WAT X2917 64.612 57.455 29.317 0.00 0.00 +ATOM 10839 H2 WAT X2917 63.614 57.257 28.197 0.00 0.00 +ATOM 10840 O WAT X2918 67.401 48.403 53.157 0.00 0.00 +ATOM 10841 H1 WAT X2918 67.198 49.328 53.296 0.00 0.00 +ATOM 10842 H2 WAT X2918 68.342 48.337 53.322 0.00 0.00 +ATOM 10843 O WAT X2919 55.014 39.239 19.524 0.00 0.00 +ATOM 10844 H1 WAT X2919 54.826 38.771 18.711 0.00 0.00 +ATOM 10845 H2 WAT X2919 55.511 40.009 19.248 0.00 0.00 +ATOM 10846 O WAT X2920 71.214 29.238 4.647 0.00 0.00 +ATOM 10847 H1 WAT X2920 70.970 30.132 4.410 0.00 0.00 +ATOM 10848 H2 WAT X2920 71.062 29.191 5.591 0.00 0.00 +ATOM 10849 O WAT X2921 56.309 56.533 38.935 0.00 0.00 +ATOM 10850 H1 WAT X2921 56.460 55.846 38.285 0.00 0.00 +ATOM 10851 H2 WAT X2921 55.400 56.409 39.207 0.00 0.00 +ATOM 10852 O WAT X2922 75.896 48.288 52.551 0.00 0.00 +ATOM 10853 H1 WAT X2922 76.700 48.731 52.822 0.00 0.00 +ATOM 10854 H2 WAT X2922 75.566 47.880 53.351 0.00 0.00 +ATOM 10855 O WAT X2923 2.090 40.803 32.247 0.00 0.00 +ATOM 10856 H1 WAT X2923 1.407 40.366 31.738 0.00 0.00 +ATOM 10857 H2 WAT X2923 1.912 41.737 32.134 0.00 0.00 +ATOM 10858 O WAT X2924 1.425 25.143 53.219 0.00 0.00 +ATOM 10859 H1 WAT X2924 1.416 25.793 52.516 0.00 0.00 +ATOM 10860 H2 WAT X2924 1.659 25.640 54.002 0.00 0.00 +ATOM 10861 O WAT X2925 36.901 25.741 45.979 0.00 0.00 +ATOM 10862 H1 WAT X2925 35.965 25.599 46.121 0.00 0.00 +ATOM 10863 H2 WAT X2925 37.139 26.421 46.609 0.00 0.00 +ATOM 10864 O WAT X2926 13.924 56.968 14.955 0.00 0.00 +ATOM 10865 H1 WAT X2926 13.921 56.209 15.537 0.00 0.00 +ATOM 10866 H2 WAT X2926 13.163 57.482 15.228 0.00 0.00 +ATOM 10867 O WAT X2927 3.989 2.556 19.777 0.00 0.00 +ATOM 10868 H1 WAT X2927 3.456 3.070 20.384 0.00 0.00 +ATOM 10869 H2 WAT X2927 3.393 1.886 19.442 0.00 0.00 +ATOM 10870 O WAT X2928 75.354 52.102 48.082 0.00 0.00 +ATOM 10871 H1 WAT X2928 76.056 52.748 48.010 0.00 0.00 +ATOM 10872 H2 WAT X2928 74.619 52.587 48.459 0.00 0.00 +ATOM 10873 O WAT X2929 50.606 12.596 39.558 0.00 0.00 +ATOM 10874 H1 WAT X2929 49.769 12.836 39.955 0.00 0.00 +ATOM 10875 H2 WAT X2929 51.086 12.155 40.259 0.00 0.00 +ATOM 10876 O WAT X2930 32.204 55.328 5.933 0.00 0.00 +ATOM 10877 H1 WAT X2930 32.574 54.753 6.602 0.00 0.00 +ATOM 10878 H2 WAT X2930 31.797 54.733 5.304 0.00 0.00 +ATOM 10879 O WAT X2931 46.272 58.513 19.081 0.00 0.00 +ATOM 10880 H1 WAT X2931 45.840 59.318 19.366 0.00 0.00 +ATOM 10881 H2 WAT X2931 45.555 57.937 18.817 0.00 0.00 +ATOM 10882 O WAT X2932 44.682 4.211 11.975 0.00 0.00 +ATOM 10883 H1 WAT X2932 43.930 3.631 11.859 0.00 0.00 +ATOM 10884 H2 WAT X2932 45.369 3.824 11.432 0.00 0.00 +ATOM 10885 O WAT X2933 33.854 52.885 39.852 0.00 0.00 +ATOM 10886 H1 WAT X2933 34.195 53.774 39.756 0.00 0.00 +ATOM 10887 H2 WAT X2933 32.975 52.923 39.475 0.00 0.00 +ATOM 10888 O WAT X2934 11.128 60.469 43.509 0.00 0.00 +ATOM 10889 H1 WAT X2934 11.747 60.288 44.216 0.00 0.00 +ATOM 10890 H2 WAT X2934 10.614 59.666 43.429 0.00 0.00 +ATOM 10891 O WAT X2935 52.025 62.506 27.586 0.00 0.00 +ATOM 10892 H1 WAT X2935 52.645 63.040 28.082 0.00 0.00 +ATOM 10893 H2 WAT X2935 52.530 61.739 27.318 0.00 0.00 +ATOM 10894 O WAT X2936 65.146 24.732 57.888 0.00 0.00 +ATOM 10895 H1 WAT X2936 65.115 24.097 58.604 0.00 0.00 +ATOM 10896 H2 WAT X2936 65.635 25.473 58.246 0.00 0.00 +ATOM 10897 O WAT X2937 57.626 33.577 45.333 0.00 0.00 +ATOM 10898 H1 WAT X2937 56.912 32.950 45.214 0.00 0.00 +ATOM 10899 H2 WAT X2937 57.580 34.143 44.563 0.00 0.00 +ATOM 10900 O WAT X2938 43.775 59.709 53.999 0.00 0.00 +ATOM 10901 H1 WAT X2938 44.172 59.423 54.822 0.00 0.00 +ATOM 10902 H2 WAT X2938 42.887 59.353 54.025 0.00 0.00 +ATOM 10903 O WAT X2939 43.443 28.222 9.436 0.00 0.00 +ATOM 10904 H1 WAT X2939 44.386 28.368 9.508 0.00 0.00 +ATOM 10905 H2 WAT X2939 43.271 27.479 10.015 0.00 0.00 +ATOM 10906 O WAT X2940 45.504 35.142 46.564 0.00 0.00 +ATOM 10907 H1 WAT X2940 45.588 34.409 47.174 0.00 0.00 +ATOM 10908 H2 WAT X2940 46.216 35.736 46.802 0.00 0.00 +ATOM 10909 O WAT X2941 -0.001 19.466 17.529 0.00 0.00 +ATOM 10910 H1 WAT X2941 0.739 19.318 18.118 0.00 0.00 +ATOM 10911 H2 WAT X2941 -0.067 18.658 17.019 0.00 0.00 +ATOM 10912 O WAT X2942 66.141 10.765 42.904 0.00 0.00 +ATOM 10913 H1 WAT X2942 66.616 10.098 43.401 0.00 0.00 +ATOM 10914 H2 WAT X2942 66.826 11.322 42.535 0.00 0.00 +ATOM 10915 O WAT X2943 65.251 29.467 12.387 0.00 0.00 +ATOM 10916 H1 WAT X2943 66.195 29.306 12.398 0.00 0.00 +ATOM 10917 H2 WAT X2943 65.097 29.933 11.565 0.00 0.00 +ATOM 10918 O WAT X2944 42.595 20.016 50.451 0.00 0.00 +ATOM 10919 H1 WAT X2944 43.538 19.890 50.350 0.00 0.00 +ATOM 10920 H2 WAT X2944 42.263 19.152 50.694 0.00 0.00 +ATOM 10921 O WAT X2945 10.305 11.251 29.985 0.00 0.00 +ATOM 10922 H1 WAT X2945 10.285 10.346 30.299 0.00 0.00 +ATOM 10923 H2 WAT X2945 11.223 11.510 30.062 0.00 0.00 +ATOM 10924 O WAT X2946 22.929 7.637 9.077 0.00 0.00 +ATOM 10925 H1 WAT X2946 23.624 7.787 9.718 0.00 0.00 +ATOM 10926 H2 WAT X2946 22.728 6.704 9.155 0.00 0.00 +ATOM 10927 O WAT X2947 49.791 3.578 6.694 0.00 0.00 +ATOM 10928 H1 WAT X2947 50.227 2.726 6.706 0.00 0.00 +ATOM 10929 H2 WAT X2947 50.069 4.001 7.506 0.00 0.00 +ATOM 10930 O WAT X2948 55.501 17.702 3.026 0.00 0.00 +ATOM 10931 H1 WAT X2948 55.895 17.480 3.869 0.00 0.00 +ATOM 10932 H2 WAT X2948 55.666 18.639 2.924 0.00 0.00 +ATOM 10933 O WAT X2949 54.340 14.857 35.735 0.00 0.00 +ATOM 10934 H1 WAT X2949 54.223 14.014 36.173 0.00 0.00 +ATOM 10935 H2 WAT X2949 53.604 15.389 36.038 0.00 0.00 +ATOM 10936 O WAT X2950 58.019 30.819 17.562 0.00 0.00 +ATOM 10937 H1 WAT X2950 58.934 30.616 17.755 0.00 0.00 +ATOM 10938 H2 WAT X2950 57.727 31.341 18.309 0.00 0.00 +ATOM 10939 O WAT X2951 21.727 47.175 37.590 0.00 0.00 +ATOM 10940 H1 WAT X2951 21.257 48.008 37.575 0.00 0.00 +ATOM 10941 H2 WAT X2951 21.214 46.620 38.177 0.00 0.00 +ATOM 10942 O WAT X2952 52.249 30.831 16.363 0.00 0.00 +ATOM 10943 H1 WAT X2952 51.663 31.507 16.704 0.00 0.00 +ATOM 10944 H2 WAT X2952 53.027 31.310 16.078 0.00 0.00 +ATOM 10945 O WAT X2953 66.992 0.984 45.106 0.00 0.00 +ATOM 10946 H1 WAT X2953 66.788 1.756 45.634 0.00 0.00 +ATOM 10947 H2 WAT X2953 67.287 1.338 44.267 0.00 0.00 +ATOM 10948 O WAT X2954 10.207 12.048 10.961 0.00 0.00 +ATOM 10949 H1 WAT X2954 10.389 11.113 10.867 0.00 0.00 +ATOM 10950 H2 WAT X2954 10.978 12.399 11.406 0.00 0.00 +ATOM 10951 O WAT X2955 32.465 11.552 -0.090 0.00 0.00 +ATOM 10952 H1 WAT X2955 32.599 12.353 0.415 0.00 0.00 +ATOM 10953 H2 WAT X2955 32.190 10.903 0.558 0.00 0.00 +ATOM 10954 O WAT X2956 1.812 5.294 25.976 0.00 0.00 +ATOM 10955 H1 WAT X2956 1.174 5.747 26.527 0.00 0.00 +ATOM 10956 H2 WAT X2956 2.446 5.971 25.738 0.00 0.00 +ATOM 10957 O WAT X2957 8.774 44.265 53.508 0.00 0.00 +ATOM 10958 H1 WAT X2957 8.971 44.704 52.681 0.00 0.00 +ATOM 10959 H2 WAT X2957 8.090 44.803 53.907 0.00 0.00 +ATOM 10960 O WAT X2958 67.743 9.454 1.241 0.00 0.00 +ATOM 10961 H1 WAT X2958 67.384 8.682 1.677 0.00 0.00 +ATOM 10962 H2 WAT X2958 68.338 9.838 1.885 0.00 0.00 +ATOM 10963 O WAT X2959 49.715 36.146 7.949 0.00 0.00 +ATOM 10964 H1 WAT X2959 50.619 35.858 7.820 0.00 0.00 +ATOM 10965 H2 WAT X2959 49.460 36.523 7.107 0.00 0.00 +ATOM 10966 O WAT X2960 10.864 14.198 58.531 0.00 0.00 +ATOM 10967 H1 WAT X2960 10.608 14.957 58.007 0.00 0.00 +ATOM 10968 H2 WAT X2960 11.014 13.504 57.890 0.00 0.00 +ATOM 10969 O WAT X2961 28.903 23.728 6.297 0.00 0.00 +ATOM 10970 H1 WAT X2961 29.189 22.933 5.847 0.00 0.00 +ATOM 10971 H2 WAT X2961 28.980 24.417 5.637 0.00 0.00 +ATOM 10972 O WAT X2962 76.508 2.016 43.017 0.00 0.00 +ATOM 10973 H1 WAT X2962 76.800 2.087 43.926 0.00 0.00 +ATOM 10974 H2 WAT X2962 77.317 1.954 42.510 0.00 0.00 +ATOM 10975 O WAT X2963 3.923 35.526 46.312 0.00 0.00 +ATOM 10976 H1 WAT X2963 3.239 36.021 45.861 0.00 0.00 +ATOM 10977 H2 WAT X2963 3.997 35.946 47.169 0.00 0.00 +ATOM 10978 O WAT X2964 26.139 21.180 14.118 0.00 0.00 +ATOM 10979 H1 WAT X2964 25.619 21.035 14.909 0.00 0.00 +ATOM 10980 H2 WAT X2964 25.492 21.324 13.428 0.00 0.00 +ATOM 10981 O WAT X2965 35.570 12.146 -0.025 0.00 0.00 +ATOM 10982 H1 WAT X2965 35.895 11.772 0.794 0.00 0.00 +ATOM 10983 H2 WAT X2965 35.511 13.086 0.147 0.00 0.00 +ATOM 10984 O WAT X2966 65.549 7.142 20.700 0.00 0.00 +ATOM 10985 H1 WAT X2966 66.106 7.765 20.234 0.00 0.00 +ATOM 10986 H2 WAT X2966 64.820 7.670 21.026 0.00 0.00 +ATOM 10987 O WAT X2967 7.331 50.100 52.114 0.00 0.00 +ATOM 10988 H1 WAT X2967 8.040 49.719 52.632 0.00 0.00 +ATOM 10989 H2 WAT X2967 6.640 49.438 52.127 0.00 0.00 +ATOM 10990 O WAT X2968 4.263 19.464 55.567 0.00 0.00 +ATOM 10991 H1 WAT X2968 4.691 20.307 55.717 0.00 0.00 +ATOM 10992 H2 WAT X2968 3.789 19.579 54.744 0.00 0.00 +ATOM 10993 O WAT X2969 62.327 25.529 38.672 0.00 0.00 +ATOM 10994 H1 WAT X2969 62.305 26.018 37.850 0.00 0.00 +ATOM 10995 H2 WAT X2969 63.026 24.887 38.551 0.00 0.00 +ATOM 10996 O WAT X2970 2.044 25.162 6.997 0.00 0.00 +ATOM 10997 H1 WAT X2970 1.783 25.274 6.083 0.00 0.00 +ATOM 10998 H2 WAT X2970 1.952 24.223 7.159 0.00 0.00 +ATOM 10999 O WAT X2971 27.034 40.718 53.809 0.00 0.00 +ATOM 11000 H1 WAT X2971 26.704 40.546 52.927 0.00 0.00 +ATOM 11001 H2 WAT X2971 26.270 40.608 54.376 0.00 0.00 +ATOM 11002 O WAT X2972 10.667 19.089 0.325 0.00 0.00 +ATOM 11003 H1 WAT X2972 11.063 18.428 -0.242 0.00 0.00 +ATOM 11004 H2 WAT X2972 11.068 18.941 1.182 0.00 0.00 +ATOM 11005 O WAT X2973 75.125 34.772 23.343 0.00 0.00 +ATOM 11006 H1 WAT X2973 75.125 34.670 22.391 0.00 0.00 +ATOM 11007 H2 WAT X2973 74.210 34.939 23.566 0.00 0.00 +ATOM 11008 O WAT X2974 46.685 23.089 55.013 0.00 0.00 +ATOM 11009 H1 WAT X2974 46.464 24.020 54.969 0.00 0.00 +ATOM 11010 H2 WAT X2974 47.111 22.905 54.176 0.00 0.00 +ATOM 11011 O WAT X2975 33.627 45.799 3.844 0.00 0.00 +ATOM 11012 H1 WAT X2975 33.771 45.017 3.312 0.00 0.00 +ATOM 11013 H2 WAT X2975 34.431 46.309 3.743 0.00 0.00 +ATOM 11014 O WAT X2976 62.704 42.881 57.074 0.00 0.00 +ATOM 11015 H1 WAT X2976 63.229 42.801 56.278 0.00 0.00 +ATOM 11016 H2 WAT X2976 63.283 42.582 57.774 0.00 0.00 +ATOM 11017 O WAT X2977 39.597 35.445 58.392 0.00 0.00 +ATOM 11018 H1 WAT X2977 40.059 35.685 57.589 0.00 0.00 +ATOM 11019 H2 WAT X2977 39.346 34.530 58.261 0.00 0.00 +ATOM 11020 O WAT X2978 69.387 62.590 40.868 0.00 0.00 +ATOM 11021 H1 WAT X2978 69.359 62.145 41.715 0.00 0.00 +ATOM 11022 H2 WAT X2978 68.662 63.214 40.901 0.00 0.00 +ATOM 11023 O WAT X2979 2.887 14.441 14.104 0.00 0.00 +ATOM 11024 H1 WAT X2979 2.191 13.795 13.988 0.00 0.00 +ATOM 11025 H2 WAT X2979 3.520 14.011 14.679 0.00 0.00 +ATOM 11026 O WAT X2980 38.224 49.526 42.988 0.00 0.00 +ATOM 11027 H1 WAT X2980 38.539 49.868 42.151 0.00 0.00 +ATOM 11028 H2 WAT X2980 37.438 50.040 43.176 0.00 0.00 +ATOM 11029 O WAT X2981 34.425 5.889 16.384 0.00 0.00 +ATOM 11030 H1 WAT X2981 35.117 6.247 16.940 0.00 0.00 +ATOM 11031 H2 WAT X2981 33.768 6.583 16.342 0.00 0.00 +ATOM 11032 O WAT X2982 69.293 36.035 57.340 0.00 0.00 +ATOM 11033 H1 WAT X2982 70.002 35.403 57.453 0.00 0.00 +ATOM 11034 H2 WAT X2982 69.554 36.786 57.874 0.00 0.00 +ATOM 11035 O WAT X2983 7.687 39.484 20.600 0.00 0.00 +ATOM 11036 H1 WAT X2983 7.422 40.095 19.913 0.00 0.00 +ATOM 11037 H2 WAT X2983 6.891 38.991 20.802 0.00 0.00 +ATOM 11038 O WAT X2984 14.862 62.147 14.212 0.00 0.00 +ATOM 11039 H1 WAT X2984 14.678 62.881 13.625 0.00 0.00 +ATOM 11040 H2 WAT X2984 14.962 62.550 15.074 0.00 0.00 +ATOM 11041 O WAT X2985 16.201 56.531 49.362 0.00 0.00 +ATOM 11042 H1 WAT X2985 15.645 57.115 49.878 0.00 0.00 +ATOM 11043 H2 WAT X2985 16.051 56.797 48.455 0.00 0.00 +ATOM 11044 O WAT X2986 76.205 51.269 5.166 0.00 0.00 +ATOM 11045 H1 WAT X2986 76.390 50.530 5.746 0.00 0.00 +ATOM 11046 H2 WAT X2986 75.791 51.920 5.732 0.00 0.00 +ATOM 11047 O WAT X2987 5.332 51.804 37.074 0.00 0.00 +ATOM 11048 H1 WAT X2987 5.341 52.097 36.163 0.00 0.00 +ATOM 11049 H2 WAT X2987 4.827 50.991 37.060 0.00 0.00 +ATOM 11050 O WAT X2988 57.291 14.117 47.680 0.00 0.00 +ATOM 11051 H1 WAT X2988 56.841 14.551 46.956 0.00 0.00 +ATOM 11052 H2 WAT X2988 56.859 14.451 48.466 0.00 0.00 +ATOM 11053 O WAT X2989 66.693 41.233 51.670 0.00 0.00 +ATOM 11054 H1 WAT X2989 67.508 40.906 51.288 0.00 0.00 +ATOM 11055 H2 WAT X2989 66.373 40.508 52.206 0.00 0.00 +ATOM 11056 O WAT X2990 57.761 28.172 53.799 0.00 0.00 +ATOM 11057 H1 WAT X2990 57.276 28.600 53.094 0.00 0.00 +ATOM 11058 H2 WAT X2990 57.815 28.834 54.488 0.00 0.00 +ATOM 11059 O WAT X2991 65.311 40.681 33.404 0.00 0.00 +ATOM 11060 H1 WAT X2991 65.084 41.543 33.755 0.00 0.00 +ATOM 11061 H2 WAT X2991 64.824 40.065 33.951 0.00 0.00 +ATOM 11062 O WAT X2992 3.535 20.842 27.059 0.00 0.00 +ATOM 11063 H1 WAT X2992 2.628 20.701 26.788 0.00 0.00 +ATOM 11064 H2 WAT X2992 3.483 20.981 28.005 0.00 0.00 +ATOM 11065 O WAT X2993 77.083 4.771 4.626 0.00 0.00 +ATOM 11066 H1 WAT X2993 77.305 4.031 4.060 0.00 0.00 +ATOM 11067 H2 WAT X2993 76.201 4.575 4.941 0.00 0.00 +ATOM 11068 O WAT X2994 19.751 60.643 13.404 0.00 0.00 +ATOM 11069 H1 WAT X2994 18.813 60.549 13.236 0.00 0.00 +ATOM 11070 H2 WAT X2994 20.170 60.336 12.600 0.00 0.00 +ATOM 11071 O WAT X2995 60.393 46.827 20.616 0.00 0.00 +ATOM 11072 H1 WAT X2995 61.256 46.439 20.469 0.00 0.00 +ATOM 11073 H2 WAT X2995 59.877 46.122 21.006 0.00 0.00 +ATOM 11074 O WAT X2996 62.470 18.233 22.043 0.00 0.00 +ATOM 11075 H1 WAT X2996 63.148 17.955 22.658 0.00 0.00 +ATOM 11076 H2 WAT X2996 62.147 17.418 21.658 0.00 0.00 +ATOM 11077 O WAT X2997 29.536 53.345 23.259 0.00 0.00 +ATOM 11078 H1 WAT X2997 28.866 52.761 23.615 0.00 0.00 +ATOM 11079 H2 WAT X2997 29.308 54.209 23.601 0.00 0.00 +ATOM 11080 O WAT X2998 58.729 57.114 35.022 0.00 0.00 +ATOM 11081 H1 WAT X2998 58.209 57.664 35.609 0.00 0.00 +ATOM 11082 H2 WAT X2998 58.912 57.675 34.268 0.00 0.00 +ATOM 11083 O WAT X2999 63.981 47.893 10.402 0.00 0.00 +ATOM 11084 H1 WAT X2999 64.343 48.360 9.649 0.00 0.00 +ATOM 11085 H2 WAT X2999 63.220 47.429 10.052 0.00 0.00 +ATOM 11086 O WAT X3000 57.181 19.711 58.325 0.00 0.00 +ATOM 11087 H1 WAT X3000 57.683 20.374 58.801 0.00 0.00 +ATOM 11088 H2 WAT X3000 57.730 19.488 57.574 0.00 0.00 +ATOM 11089 O WAT X3001 5.021 38.982 13.332 0.00 0.00 +ATOM 11090 H1 WAT X3001 5.860 39.287 13.677 0.00 0.00 +ATOM 11091 H2 WAT X3001 5.232 38.636 12.464 0.00 0.00 +ATOM 11092 O WAT X3002 63.084 6.482 6.996 0.00 0.00 +ATOM 11093 H1 WAT X3002 63.075 7.067 7.754 0.00 0.00 +ATOM 11094 H2 WAT X3002 63.581 6.958 6.332 0.00 0.00 +ATOM 11095 O WAT X3003 53.100 36.851 11.860 0.00 0.00 +ATOM 11096 H1 WAT X3003 53.561 36.181 11.354 0.00 0.00 +ATOM 11097 H2 WAT X3003 53.651 36.990 12.631 0.00 0.00 +ATOM 11098 O WAT X3004 69.698 36.637 28.834 0.00 0.00 +ATOM 11099 H1 WAT X3004 69.834 35.808 29.291 0.00 0.00 +ATOM 11100 H2 WAT X3004 70.179 36.539 28.012 0.00 0.00 +ATOM 11101 O WAT X3005 48.188 40.339 9.695 0.00 0.00 +ATOM 11102 H1 WAT X3005 48.862 40.739 10.244 0.00 0.00 +ATOM 11103 H2 WAT X3005 48.315 39.397 9.807 0.00 0.00 +ATOM 11104 O WAT X3006 6.015 27.986 6.242 0.00 0.00 +ATOM 11105 H1 WAT X3006 6.212 28.054 5.308 0.00 0.00 +ATOM 11106 H2 WAT X3006 6.668 27.374 6.581 0.00 0.00 +ATOM 11107 O WAT X3007 63.394 6.953 2.373 0.00 0.00 +ATOM 11108 H1 WAT X3007 63.914 6.529 3.056 0.00 0.00 +ATOM 11109 H2 WAT X3007 63.665 7.871 2.401 0.00 0.00 +ATOM 11110 O WAT X3008 20.900 57.840 9.314 0.00 0.00 +ATOM 11111 H1 WAT X3008 21.715 58.069 8.868 0.00 0.00 +ATOM 11112 H2 WAT X3008 20.615 57.030 8.892 0.00 0.00 +ATOM 11113 O WAT X3009 1.538 25.002 15.531 0.00 0.00 +ATOM 11114 H1 WAT X3009 1.575 24.082 15.268 0.00 0.00 +ATOM 11115 H2 WAT X3009 0.782 25.355 15.062 0.00 0.00 +ATOM 11116 O WAT X3010 3.424 29.366 1.959 0.00 0.00 +ATOM 11117 H1 WAT X3010 4.040 29.848 1.406 0.00 0.00 +ATOM 11118 H2 WAT X3010 2.697 29.974 2.092 0.00 0.00 +ATOM 11119 O WAT X3011 5.588 24.823 15.316 0.00 0.00 +ATOM 11120 H1 WAT X3011 6.036 24.148 14.806 0.00 0.00 +ATOM 11121 H2 WAT X3011 6.285 25.416 15.594 0.00 0.00 +ATOM 11122 O WAT X3012 49.596 21.236 53.980 0.00 0.00 +ATOM 11123 H1 WAT X3012 48.763 20.855 53.702 0.00 0.00 +ATOM 11124 H2 WAT X3012 49.647 22.069 53.511 0.00 0.00 +ATOM 11125 O WAT X3013 23.349 5.915 18.899 0.00 0.00 +ATOM 11126 H1 WAT X3013 23.240 6.844 18.698 0.00 0.00 +ATOM 11127 H2 WAT X3013 24.282 5.819 19.091 0.00 0.00 +ATOM 11128 O WAT X3014 26.309 15.080 43.956 0.00 0.00 +ATOM 11129 H1 WAT X3014 25.930 14.202 43.993 0.00 0.00 +ATOM 11130 H2 WAT X3014 26.455 15.317 44.872 0.00 0.00 +ATOM 11131 O WAT X3015 7.237 60.746 56.569 0.00 0.00 +ATOM 11132 H1 WAT X3015 7.493 61.383 57.236 0.00 0.00 +ATOM 11133 H2 WAT X3015 6.772 60.065 57.055 0.00 0.00 +ATOM 11134 O WAT X3016 40.801 50.747 6.263 0.00 0.00 +ATOM 11135 H1 WAT X3016 41.164 51.101 5.452 0.00 0.00 +ATOM 11136 H2 WAT X3016 39.910 51.096 6.299 0.00 0.00 +ATOM 11137 O WAT X3017 72.113 20.879 6.924 0.00 0.00 +ATOM 11138 H1 WAT X3017 71.638 20.086 6.678 0.00 0.00 +ATOM 11139 H2 WAT X3017 71.707 21.156 7.746 0.00 0.00 +ATOM 11140 O WAT X3018 35.109 3.675 28.604 0.00 0.00 +ATOM 11141 H1 WAT X3018 34.913 4.388 27.996 0.00 0.00 +ATOM 11142 H2 WAT X3018 35.561 4.099 29.333 0.00 0.00 +ATOM 11143 O WAT X3019 54.522 19.834 30.629 0.00 0.00 +ATOM 11144 H1 WAT X3019 54.139 20.015 31.487 0.00 0.00 +ATOM 11145 H2 WAT X3019 55.433 19.607 30.816 0.00 0.00 +ATOM 11146 O WAT X3020 67.547 18.338 41.149 0.00 0.00 +ATOM 11147 H1 WAT X3020 67.773 18.523 40.237 0.00 0.00 +ATOM 11148 H2 WAT X3020 67.196 17.448 41.132 0.00 0.00 +ATOM 11149 O WAT X3021 8.378 16.117 26.387 0.00 0.00 +ATOM 11150 H1 WAT X3021 7.791 15.646 25.796 0.00 0.00 +ATOM 11151 H2 WAT X3021 8.791 16.781 25.836 0.00 0.00 +ATOM 11152 O WAT X3022 20.777 16.625 32.281 0.00 0.00 +ATOM 11153 H1 WAT X3022 21.648 16.948 32.511 0.00 0.00 +ATOM 11154 H2 WAT X3022 20.175 17.207 32.745 0.00 0.00 +ATOM 11155 O WAT X3023 14.213 48.561 53.162 0.00 0.00 +ATOM 11156 H1 WAT X3023 14.596 47.769 53.538 0.00 0.00 +ATOM 11157 H2 WAT X3023 14.684 48.687 52.338 0.00 0.00 +ATOM 11158 O WAT X3024 67.984 16.841 2.969 0.00 0.00 +ATOM 11159 H1 WAT X3024 68.396 17.689 2.803 0.00 0.00 +ATOM 11160 H2 WAT X3024 67.170 16.868 2.467 0.00 0.00 +ATOM 11161 O WAT X3025 20.460 23.982 13.025 0.00 0.00 +ATOM 11162 H1 WAT X3025 19.663 23.452 13.015 0.00 0.00 +ATOM 11163 H2 WAT X3025 20.158 24.864 13.242 0.00 0.00 +ATOM 11164 O WAT X3026 20.641 48.312 50.525 0.00 0.00 +ATOM 11165 H1 WAT X3026 20.130 49.118 50.450 0.00 0.00 +ATOM 11166 H2 WAT X3026 20.448 47.987 51.404 0.00 0.00 +ATOM 11167 O WAT X3027 46.485 23.592 3.295 0.00 0.00 +ATOM 11168 H1 WAT X3027 46.629 22.660 3.462 0.00 0.00 +ATOM 11169 H2 WAT X3027 45.623 23.631 2.883 0.00 0.00 +ATOM 11170 O WAT X3028 34.531 11.707 52.275 0.00 0.00 +ATOM 11171 H1 WAT X3028 34.270 11.501 53.172 0.00 0.00 +ATOM 11172 H2 WAT X3028 34.190 12.588 52.122 0.00 0.00 +ATOM 11173 O WAT X3029 48.259 9.828 57.503 0.00 0.00 +ATOM 11174 H1 WAT X3029 48.854 9.563 56.801 0.00 0.00 +ATOM 11175 H2 WAT X3029 48.757 9.679 58.307 0.00 0.00 +ATOM 11176 O WAT X3030 8.183 41.212 29.658 0.00 0.00 +ATOM 11177 H1 WAT X3030 8.166 40.298 29.375 0.00 0.00 +ATOM 11178 H2 WAT X3030 9.085 41.357 29.946 0.00 0.00 +ATOM 11179 O WAT X3031 2.553 54.700 38.222 0.00 0.00 +ATOM 11180 H1 WAT X3031 2.697 54.946 37.308 0.00 0.00 +ATOM 11181 H2 WAT X3031 1.952 55.366 38.557 0.00 0.00 +ATOM 11182 O WAT X3032 0.650 59.679 22.737 0.00 0.00 +ATOM 11183 H1 WAT X3032 -0.059 60.295 22.921 0.00 0.00 +ATOM 11184 H2 WAT X3032 1.382 59.990 23.270 0.00 0.00 +ATOM 11185 O WAT X3033 41.773 59.992 19.856 0.00 0.00 +ATOM 11186 H1 WAT X3033 41.474 60.002 18.947 0.00 0.00 +ATOM 11187 H2 WAT X3033 42.704 60.210 19.805 0.00 0.00 +ATOM 11188 O WAT X3034 75.355 28.841 49.653 0.00 0.00 +ATOM 11189 H1 WAT X3034 75.280 28.694 50.596 0.00 0.00 +ATOM 11190 H2 WAT X3034 74.455 28.988 49.362 0.00 0.00 +ATOM 11191 O WAT X3035 37.109 6.825 8.034 0.00 0.00 +ATOM 11192 H1 WAT X3035 36.483 7.269 8.605 0.00 0.00 +ATOM 11193 H2 WAT X3035 36.566 6.310 7.437 0.00 0.00 +ATOM 11194 O WAT X3036 54.097 23.864 12.033 0.00 0.00 +ATOM 11195 H1 WAT X3036 53.234 23.565 12.320 0.00 0.00 +ATOM 11196 H2 WAT X3036 54.429 24.377 12.770 0.00 0.00 +ATOM 11197 O WAT X3037 6.958 45.340 12.379 0.00 0.00 +ATOM 11198 H1 WAT X3037 6.792 44.402 12.285 0.00 0.00 +ATOM 11199 H2 WAT X3037 7.901 45.431 12.243 0.00 0.00 +ATOM 11200 O WAT X3038 38.368 62.303 26.694 0.00 0.00 +ATOM 11201 H1 WAT X3038 38.216 61.580 26.086 0.00 0.00 +ATOM 11202 H2 WAT X3038 38.456 61.882 27.549 0.00 0.00 +ATOM 11203 O WAT X3039 46.401 51.892 18.687 0.00 0.00 +ATOM 11204 H1 WAT X3039 47.248 51.668 19.074 0.00 0.00 +ATOM 11205 H2 WAT X3039 46.545 52.742 18.271 0.00 0.00 +ATOM 11206 O WAT X3040 55.592 24.091 5.043 0.00 0.00 +ATOM 11207 H1 WAT X3040 54.878 24.633 4.707 0.00 0.00 +ATOM 11208 H2 WAT X3040 55.949 24.592 5.776 0.00 0.00 +ATOM 11209 O WAT X3041 1.637 12.081 32.727 0.00 0.00 +ATOM 11210 H1 WAT X3041 1.605 11.174 32.423 0.00 0.00 +ATOM 11211 H2 WAT X3041 1.993 12.571 31.985 0.00 0.00 +ATOM 11212 O WAT X3042 47.809 58.890 21.815 0.00 0.00 +ATOM 11213 H1 WAT X3042 47.559 58.171 22.396 0.00 0.00 +ATOM 11214 H2 WAT X3042 48.136 58.458 21.026 0.00 0.00 +ATOM 11215 O WAT X3043 63.670 30.059 41.480 0.00 0.00 +ATOM 11216 H1 WAT X3043 63.347 30.551 40.725 0.00 0.00 +ATOM 11217 H2 WAT X3043 64.623 30.141 41.428 0.00 0.00 +ATOM 11218 O WAT X3044 53.142 42.068 8.646 0.00 0.00 +ATOM 11219 H1 WAT X3044 53.945 42.272 8.167 0.00 0.00 +ATOM 11220 H2 WAT X3044 53.008 42.821 9.221 0.00 0.00 +ATOM 11221 O WAT X3045 75.855 13.704 25.637 0.00 0.00 +ATOM 11222 H1 WAT X3045 76.680 14.053 25.301 0.00 0.00 +ATOM 11223 H2 WAT X3045 75.185 14.076 25.063 0.00 0.00 +ATOM 11224 O WAT X3046 47.859 49.560 16.979 0.00 0.00 +ATOM 11225 H1 WAT X3046 47.587 50.097 16.235 0.00 0.00 +ATOM 11226 H2 WAT X3046 47.066 49.091 17.239 0.00 0.00 +ATOM 11227 O WAT X3047 18.478 36.601 9.417 0.00 0.00 +ATOM 11228 H1 WAT X3047 17.895 37.287 9.741 0.00 0.00 +ATOM 11229 H2 WAT X3047 18.633 36.831 8.501 0.00 0.00 +ATOM 11230 O WAT X3048 65.022 31.002 19.343 0.00 0.00 +ATOM 11231 H1 WAT X3048 65.586 30.930 18.573 0.00 0.00 +ATOM 11232 H2 WAT X3048 65.620 31.216 20.059 0.00 0.00 +ATOM 11233 O WAT X3049 63.775 14.195 26.733 0.00 0.00 +ATOM 11234 H1 WAT X3049 64.632 14.150 27.157 0.00 0.00 +ATOM 11235 H2 WAT X3049 63.352 14.957 27.128 0.00 0.00 +ATOM 11236 O WAT X3050 11.294 12.615 43.961 0.00 0.00 +ATOM 11237 H1 WAT X3050 12.109 12.161 43.749 0.00 0.00 +ATOM 11238 H2 WAT X3050 11.041 12.267 44.816 0.00 0.00 +ATOM 11239 O WAT X3051 37.343 9.770 25.356 0.00 0.00 +ATOM 11240 H1 WAT X3051 38.239 10.058 25.534 0.00 0.00 +ATOM 11241 H2 WAT X3051 37.037 10.354 24.663 0.00 0.00 +ATOM 11242 O WAT X3052 32.791 7.383 36.852 0.00 0.00 +ATOM 11243 H1 WAT X3052 32.179 7.451 37.585 0.00 0.00 +ATOM 11244 H2 WAT X3052 33.275 8.209 36.867 0.00 0.00 +ATOM 11245 O WAT X3053 6.496 9.331 28.391 0.00 0.00 +ATOM 11246 H1 WAT X3053 7.188 9.049 27.793 0.00 0.00 +ATOM 11247 H2 WAT X3053 5.861 8.615 28.378 0.00 0.00 +ATOM 11248 O WAT X3054 59.080 53.754 43.223 0.00 0.00 +ATOM 11249 H1 WAT X3054 58.649 53.092 42.683 0.00 0.00 +ATOM 11250 H2 WAT X3054 59.917 53.358 43.466 0.00 0.00 +ATOM 11251 O WAT X3055 57.006 45.579 42.355 0.00 0.00 +ATOM 11252 H1 WAT X3055 57.118 45.880 43.256 0.00 0.00 +ATOM 11253 H2 WAT X3055 57.798 45.074 42.171 0.00 0.00 +ATOM 11254 O WAT X3056 60.326 24.644 10.457 0.00 0.00 +ATOM 11255 H1 WAT X3056 61.071 24.100 10.204 0.00 0.00 +ATOM 11256 H2 WAT X3056 60.299 24.584 11.412 0.00 0.00 +ATOM 11257 O WAT X3057 63.887 26.284 16.385 0.00 0.00 +ATOM 11258 H1 WAT X3057 64.351 26.446 15.563 0.00 0.00 +ATOM 11259 H2 WAT X3057 64.508 26.546 17.065 0.00 0.00 +ATOM 11260 O WAT X3058 59.411 26.668 13.561 0.00 0.00 +ATOM 11261 H1 WAT X3058 58.673 26.892 12.995 0.00 0.00 +ATOM 11262 H2 WAT X3058 59.769 27.512 13.834 0.00 0.00 +ATOM 11263 O WAT X3059 43.809 32.097 8.531 0.00 0.00 +ATOM 11264 H1 WAT X3059 43.092 32.475 9.041 0.00 0.00 +ATOM 11265 H2 WAT X3059 44.519 32.735 8.609 0.00 0.00 +ATOM 11266 O WAT X3060 31.172 4.391 3.572 0.00 0.00 +ATOM 11267 H1 WAT X3060 31.511 3.497 3.548 0.00 0.00 +ATOM 11268 H2 WAT X3060 30.382 4.334 4.110 0.00 0.00 +ATOM 11269 O WAT X3061 49.876 21.833 50.106 0.00 0.00 +ATOM 11270 H1 WAT X3061 49.198 21.186 49.912 0.00 0.00 +ATOM 11271 H2 WAT X3061 49.417 22.672 50.093 0.00 0.00 +ATOM 11272 O WAT X3062 75.378 15.709 31.411 0.00 0.00 +ATOM 11273 H1 WAT X3062 74.966 16.438 30.947 0.00 0.00 +ATOM 11274 H2 WAT X3062 76.286 15.716 31.109 0.00 0.00 +ATOM 11275 O WAT X3063 7.959 25.605 17.882 0.00 0.00 +ATOM 11276 H1 WAT X3063 7.167 25.970 18.277 0.00 0.00 +ATOM 11277 H2 WAT X3063 8.677 26.057 18.326 0.00 0.00 +ATOM 11278 O WAT X3064 49.175 0.968 18.905 0.00 0.00 +ATOM 11279 H1 WAT X3064 49.085 1.694 18.288 0.00 0.00 +ATOM 11280 H2 WAT X3064 48.306 0.877 19.296 0.00 0.00 +ATOM 11281 O WAT X3065 48.008 62.107 25.773 0.00 0.00 +ATOM 11282 H1 WAT X3065 47.272 61.686 25.329 0.00 0.00 +ATOM 11283 H2 WAT X3065 48.765 61.910 25.221 0.00 0.00 +ATOM 11284 O WAT X3066 46.195 58.410 27.650 0.00 0.00 +ATOM 11285 H1 WAT X3066 45.621 58.380 26.885 0.00 0.00 +ATOM 11286 H2 WAT X3066 46.451 59.329 27.722 0.00 0.00 +ATOM 11287 O WAT X3067 64.551 3.325 51.961 0.00 0.00 +ATOM 11288 H1 WAT X3067 64.358 3.817 52.759 0.00 0.00 +ATOM 11289 H2 WAT X3067 64.774 2.447 52.270 0.00 0.00 +ATOM 11290 O WAT X3068 70.096 51.201 13.932 0.00 0.00 +ATOM 11291 H1 WAT X3068 69.604 51.950 13.593 0.00 0.00 +ATOM 11292 H2 WAT X3068 70.684 50.958 13.217 0.00 0.00 +ATOM 11293 O WAT X3069 55.638 5.795 19.447 0.00 0.00 +ATOM 11294 H1 WAT X3069 56.225 6.175 20.100 0.00 0.00 +ATOM 11295 H2 WAT X3069 55.308 4.996 19.857 0.00 0.00 +ATOM 11296 O WAT X3070 33.826 19.834 46.499 0.00 0.00 +ATOM 11297 H1 WAT X3070 34.412 19.567 47.207 0.00 0.00 +ATOM 11298 H2 WAT X3070 32.965 19.514 46.767 0.00 0.00 +ATOM 11299 O WAT X3071 51.157 28.457 50.102 0.00 0.00 +ATOM 11300 H1 WAT X3071 50.511 27.899 49.670 0.00 0.00 +ATOM 11301 H2 WAT X3071 50.650 28.967 50.733 0.00 0.00 +ATOM 11302 O WAT X3072 25.231 43.577 6.887 0.00 0.00 +ATOM 11303 H1 WAT X3072 25.284 44.395 6.392 0.00 0.00 +ATOM 11304 H2 WAT X3072 24.876 43.835 7.738 0.00 0.00 +ATOM 11305 O WAT X3073 77.357 18.099 32.978 0.00 0.00 +ATOM 11306 H1 WAT X3073 77.542 17.186 32.759 0.00 0.00 +ATOM 11307 H2 WAT X3073 77.750 18.222 33.842 0.00 0.00 +ATOM 11308 O WAT X3074 1.547 43.696 6.132 0.00 0.00 +ATOM 11309 H1 WAT X3074 1.082 43.892 5.319 0.00 0.00 +ATOM 11310 H2 WAT X3074 1.431 44.479 6.670 0.00 0.00 +ATOM 11311 O WAT X3075 58.428 6.620 30.961 0.00 0.00 +ATOM 11312 H1 WAT X3075 58.987 6.563 30.186 0.00 0.00 +ATOM 11313 H2 WAT X3075 58.743 5.922 31.536 0.00 0.00 +ATOM 11314 O WAT X3076 67.165 57.692 51.938 0.00 0.00 +ATOM 11315 H1 WAT X3076 66.378 57.150 51.888 0.00 0.00 +ATOM 11316 H2 WAT X3076 67.885 57.064 51.997 0.00 0.00 +ATOM 11317 O WAT X3077 48.759 41.726 49.211 0.00 0.00 +ATOM 11318 H1 WAT X3077 49.543 42.120 49.592 0.00 0.00 +ATOM 11319 H2 WAT X3077 48.742 40.836 49.563 0.00 0.00 +ATOM 11320 O WAT X3078 58.010 12.089 13.770 0.00 0.00 +ATOM 11321 H1 WAT X3078 58.643 12.632 13.300 0.00 0.00 +ATOM 11322 H2 WAT X3078 57.162 12.338 13.402 0.00 0.00 +ATOM 11323 O WAT X3079 54.193 42.984 24.036 0.00 0.00 +ATOM 11324 H1 WAT X3079 54.050 42.086 23.738 0.00 0.00 +ATOM 11325 H2 WAT X3079 53.936 42.975 24.957 0.00 0.00 +ATOM 11326 O WAT X3080 54.761 19.287 11.844 0.00 0.00 +ATOM 11327 H1 WAT X3080 54.856 20.208 11.603 0.00 0.00 +ATOM 11328 H2 WAT X3080 55.206 18.809 11.145 0.00 0.00 +ATOM 11329 O WAT X3081 77.076 55.188 6.666 0.00 0.00 +ATOM 11330 H1 WAT X3081 77.756 55.849 6.797 0.00 0.00 +ATOM 11331 H2 WAT X3081 76.873 55.236 5.732 0.00 0.00 +ATOM 11332 O WAT X3082 18.360 43.549 55.216 0.00 0.00 +ATOM 11333 H1 WAT X3082 17.776 43.767 54.489 0.00 0.00 +ATOM 11334 H2 WAT X3082 19.228 43.813 54.912 0.00 0.00 +ATOM 11335 O WAT X3083 35.091 53.873 27.992 0.00 0.00 +ATOM 11336 H1 WAT X3083 35.395 53.184 28.584 0.00 0.00 +ATOM 11337 H2 WAT X3083 34.261 53.544 27.648 0.00 0.00 +ATOM 11338 O WAT X3084 48.385 63.165 50.883 0.00 0.00 +ATOM 11339 H1 WAT X3084 48.409 62.221 50.725 0.00 0.00 +ATOM 11340 H2 WAT X3084 47.510 63.433 50.600 0.00 0.00 +ATOM 11341 O WAT X3085 14.428 44.937 56.312 0.00 0.00 +ATOM 11342 H1 WAT X3085 13.996 44.356 55.686 0.00 0.00 +ATOM 11343 H2 WAT X3085 14.924 44.349 56.881 0.00 0.00 +ATOM 11344 O WAT X3086 7.331 24.247 27.497 0.00 0.00 +ATOM 11345 H1 WAT X3086 7.380 23.531 26.863 0.00 0.00 +ATOM 11346 H2 WAT X3086 8.210 24.295 27.873 0.00 0.00 +ATOM 11347 O WAT X3087 23.803 15.181 25.522 0.00 0.00 +ATOM 11348 H1 WAT X3087 23.562 16.081 25.745 0.00 0.00 +ATOM 11349 H2 WAT X3087 23.077 14.865 24.985 0.00 0.00 +ATOM 11350 O WAT X3088 28.279 49.498 23.731 0.00 0.00 +ATOM 11351 H1 WAT X3088 28.844 49.664 22.977 0.00 0.00 +ATOM 11352 H2 WAT X3088 28.360 48.558 23.890 0.00 0.00 +ATOM 11353 O WAT X3089 48.972 2.297 49.072 0.00 0.00 +ATOM 11354 H1 WAT X3089 49.102 1.569 48.464 0.00 0.00 +ATOM 11355 H2 WAT X3089 49.298 1.970 49.910 0.00 0.00 +ATOM 11356 O WAT X3090 57.009 61.279 43.262 0.00 0.00 +ATOM 11357 H1 WAT X3090 57.099 61.900 42.540 0.00 0.00 +ATOM 11358 H2 WAT X3090 56.091 61.008 43.233 0.00 0.00 +ATOM 11359 O WAT X3091 -0.317 30.287 43.354 0.00 0.00 +ATOM 11360 H1 WAT X3091 0.208 30.994 42.979 0.00 0.00 +ATOM 11361 H2 WAT X3091 0.298 29.562 43.462 0.00 0.00 +ATOM 11362 O WAT X3092 52.637 50.411 34.737 0.00 0.00 +ATOM 11363 H1 WAT X3092 52.073 51.177 34.845 0.00 0.00 +ATOM 11364 H2 WAT X3092 52.824 50.381 33.798 0.00 0.00 +ATOM 11365 O WAT X3093 29.366 9.060 43.555 0.00 0.00 +ATOM 11366 H1 WAT X3093 29.857 9.368 42.794 0.00 0.00 +ATOM 11367 H2 WAT X3093 28.829 8.343 43.220 0.00 0.00 +ATOM 11368 O WAT X3094 68.530 36.768 49.152 0.00 0.00 +ATOM 11369 H1 WAT X3094 69.361 36.586 49.591 0.00 0.00 +ATOM 11370 H2 WAT X3094 67.883 36.267 49.648 0.00 0.00 +ATOM 11371 O WAT X3095 44.033 14.369 12.666 0.00 0.00 +ATOM 11372 H1 WAT X3095 44.789 14.022 12.192 0.00 0.00 +ATOM 11373 H2 WAT X3095 44.350 15.180 13.062 0.00 0.00 +ATOM 11374 O WAT X3096 11.095 1.367 29.091 0.00 0.00 +ATOM 11375 H1 WAT X3096 11.934 1.196 29.517 0.00 0.00 +ATOM 11376 H2 WAT X3096 11.323 1.852 28.298 0.00 0.00 +ATOM 11377 O WAT X3097 29.667 24.825 41.979 0.00 0.00 +ATOM 11378 H1 WAT X3097 30.164 25.417 41.414 0.00 0.00 +ATOM 11379 H2 WAT X3097 28.751 25.015 41.777 0.00 0.00 +ATOM 11380 O WAT X3098 7.176 26.025 38.304 0.00 0.00 +ATOM 11381 H1 WAT X3098 6.461 26.574 38.627 0.00 0.00 +ATOM 11382 H2 WAT X3098 6.742 25.243 37.963 0.00 0.00 +ATOM 11383 O WAT X3099 25.949 60.773 58.409 0.00 0.00 +ATOM 11384 H1 WAT X3099 26.188 60.455 57.538 0.00 0.00 +ATOM 11385 H2 WAT X3099 25.653 59.991 58.876 0.00 0.00 +ATOM 11386 O WAT X3100 33.129 4.341 24.221 0.00 0.00 +ATOM 11387 H1 WAT X3100 32.335 4.330 23.687 0.00 0.00 +ATOM 11388 H2 WAT X3100 32.962 5.009 24.885 0.00 0.00 +ATOM 11389 O WAT X3101 75.056 15.539 22.851 0.00 0.00 +ATOM 11390 H1 WAT X3101 75.253 14.716 22.403 0.00 0.00 +ATOM 11391 H2 WAT X3101 74.394 15.958 22.301 0.00 0.00 +ATOM 11392 O WAT X3102 34.942 9.463 36.217 0.00 0.00 +ATOM 11393 H1 WAT X3102 34.973 10.346 35.849 0.00 0.00 +ATOM 11394 H2 WAT X3102 35.561 9.486 36.947 0.00 0.00 +ATOM 11395 O WAT X3103 66.206 14.265 28.199 0.00 0.00 +ATOM 11396 H1 WAT X3103 66.186 14.181 29.152 0.00 0.00 +ATOM 11397 H2 WAT X3103 66.973 13.759 27.930 0.00 0.00 +ATOM 11398 O WAT X3104 47.283 25.985 54.139 0.00 0.00 +ATOM 11399 H1 WAT X3104 46.800 26.662 54.613 0.00 0.00 +ATOM 11400 H2 WAT X3104 47.217 26.243 53.219 0.00 0.00 +ATOM 11401 O WAT X3105 71.418 11.192 11.571 0.00 0.00 +ATOM 11402 H1 WAT X3105 71.932 11.999 11.528 0.00 0.00 +ATOM 11403 H2 WAT X3105 71.358 10.996 12.506 0.00 0.00 +ATOM 11404 O WAT X3106 61.901 59.045 17.769 0.00 0.00 +ATOM 11405 H1 WAT X3106 62.350 58.891 18.600 0.00 0.00 +ATOM 11406 H2 WAT X3106 62.303 59.843 17.424 0.00 0.00 +ATOM 11407 O WAT X3107 3.444 60.355 15.156 0.00 0.00 +ATOM 11408 H1 WAT X3107 3.064 59.945 15.933 0.00 0.00 +ATOM 11409 H2 WAT X3107 2.855 60.110 14.443 0.00 0.00 +ATOM 11410 O WAT X3108 42.313 12.030 53.167 0.00 0.00 +ATOM 11411 H1 WAT X3108 41.861 12.548 52.501 0.00 0.00 +ATOM 11412 H2 WAT X3108 43.013 11.584 52.689 0.00 0.00 +ATOM 11413 O WAT X3109 60.137 60.052 47.380 0.00 0.00 +ATOM 11414 H1 WAT X3109 59.959 60.234 46.457 0.00 0.00 +ATOM 11415 H2 WAT X3109 59.892 59.134 47.494 0.00 0.00 +ATOM 11416 O WAT X3110 33.098 9.157 45.467 0.00 0.00 +ATOM 11417 H1 WAT X3110 33.241 10.030 45.831 0.00 0.00 +ATOM 11418 H2 WAT X3110 32.364 9.266 44.863 0.00 0.00 +ATOM 11419 O WAT X3111 8.176 51.808 9.887 0.00 0.00 +ATOM 11420 H1 WAT X3111 8.394 52.455 10.558 0.00 0.00 +ATOM 11421 H2 WAT X3111 7.743 52.313 9.199 0.00 0.00 +ATOM 11422 O WAT X3112 4.207 49.708 0.458 0.00 0.00 +ATOM 11423 H1 WAT X3112 4.198 50.197 1.280 0.00 0.00 +ATOM 11424 H2 WAT X3112 5.088 49.336 0.410 0.00 0.00 +ATOM 11425 O WAT X3113 37.117 56.475 48.068 0.00 0.00 +ATOM 11426 H1 WAT X3113 37.980 56.753 47.763 0.00 0.00 +ATOM 11427 H2 WAT X3113 36.505 57.066 47.630 0.00 0.00 +ATOM 11428 O WAT X3114 36.703 0.760 16.599 0.00 0.00 +ATOM 11429 H1 WAT X3114 37.555 0.829 17.029 0.00 0.00 +ATOM 11430 H2 WAT X3114 36.668 -0.142 16.280 0.00 0.00 +ATOM 11431 O WAT X3115 25.533 20.580 47.908 0.00 0.00 +ATOM 11432 H1 WAT X3115 25.997 20.529 47.073 0.00 0.00 +ATOM 11433 H2 WAT X3115 24.947 21.331 47.810 0.00 0.00 +ATOM 11434 O WAT X3116 47.938 52.197 58.403 0.00 0.00 +ATOM 11435 H1 WAT X3116 47.426 52.905 58.794 0.00 0.00 +ATOM 11436 H2 WAT X3116 47.283 51.594 58.052 0.00 0.00 +ATOM 11437 O WAT X3117 67.703 15.274 13.787 0.00 0.00 +ATOM 11438 H1 WAT X3117 67.548 14.335 13.892 0.00 0.00 +ATOM 11439 H2 WAT X3117 68.246 15.513 14.538 0.00 0.00 +ATOM 11440 O WAT X3118 30.106 6.223 16.204 0.00 0.00 +ATOM 11441 H1 WAT X3118 30.427 5.408 15.816 0.00 0.00 +ATOM 11442 H2 WAT X3118 30.864 6.584 16.663 0.00 0.00 +ATOM 11443 O WAT X3119 37.591 50.742 5.835 0.00 0.00 +ATOM 11444 H1 WAT X3119 36.778 51.051 5.437 0.00 0.00 +ATOM 11445 H2 WAT X3119 37.508 50.974 6.760 0.00 0.00 +ATOM 11446 O WAT X3120 33.070 6.021 4.479 0.00 0.00 +ATOM 11447 H1 WAT X3120 32.390 5.432 4.152 0.00 0.00 +ATOM 11448 H2 WAT X3120 33.274 6.587 3.734 0.00 0.00 +ATOM 11449 O WAT X3121 38.242 2.810 34.078 0.00 0.00 +ATOM 11450 H1 WAT X3121 37.657 3.544 33.889 0.00 0.00 +ATOM 11451 H2 WAT X3121 38.647 3.036 34.916 0.00 0.00 +ATOM 11452 O WAT X3122 5.626 7.511 43.022 0.00 0.00 +ATOM 11453 H1 WAT X3122 6.330 7.967 42.561 0.00 0.00 +ATOM 11454 H2 WAT X3122 5.280 8.161 43.634 0.00 0.00 +ATOM 11455 O WAT X3123 53.100 61.351 56.906 0.00 0.00 +ATOM 11456 H1 WAT X3123 52.639 60.839 56.241 0.00 0.00 +ATOM 11457 H2 WAT X3123 54.026 61.250 56.686 0.00 0.00 +ATOM 11458 O WAT X3124 59.297 56.809 18.694 0.00 0.00 +ATOM 11459 H1 WAT X3124 60.039 57.096 18.162 0.00 0.00 +ATOM 11460 H2 WAT X3124 59.195 55.881 18.483 0.00 0.00 +ATOM 11461 O WAT X3125 33.599 62.069 48.708 0.00 0.00 +ATOM 11462 H1 WAT X3125 33.120 62.892 48.802 0.00 0.00 +ATOM 11463 H2 WAT X3125 34.393 62.307 48.229 0.00 0.00 +ATOM 11464 O WAT X3126 74.884 43.681 17.384 0.00 0.00 +ATOM 11465 H1 WAT X3126 75.351 43.450 16.581 0.00 0.00 +ATOM 11466 H2 WAT X3126 74.480 42.862 17.670 0.00 0.00 +ATOM 11467 O WAT X3127 66.526 32.740 49.876 0.00 0.00 +ATOM 11468 H1 WAT X3127 66.594 33.558 50.369 0.00 0.00 +ATOM 11469 H2 WAT X3127 65.590 32.543 49.868 0.00 0.00 +ATOM 11470 O WAT X3128 20.643 12.027 1.583 0.00 0.00 +ATOM 11471 H1 WAT X3128 21.268 11.367 1.882 0.00 0.00 +ATOM 11472 H2 WAT X3128 20.087 11.565 0.956 0.00 0.00 +ATOM 11473 O WAT X3129 67.414 47.910 12.361 0.00 0.00 +ATOM 11474 H1 WAT X3129 66.668 47.343 12.166 0.00 0.00 +ATOM 11475 H2 WAT X3129 68.157 47.311 12.437 0.00 0.00 +ATOM 11476 O WAT X3130 52.091 4.413 48.831 0.00 0.00 +ATOM 11477 H1 WAT X3130 51.828 3.533 48.560 0.00 0.00 +ATOM 11478 H2 WAT X3130 52.838 4.623 48.272 0.00 0.00 +ATOM 11479 O WAT X3131 20.929 60.882 55.858 0.00 0.00 +ATOM 11480 H1 WAT X3131 20.120 61.195 56.263 0.00 0.00 +ATOM 11481 H2 WAT X3131 21.449 60.545 56.588 0.00 0.00 +ATOM 11482 O WAT X3132 43.135 51.413 36.541 0.00 0.00 +ATOM 11483 H1 WAT X3132 43.187 52.174 35.963 0.00 0.00 +ATOM 11484 H2 WAT X3132 42.338 50.959 36.269 0.00 0.00 +ATOM 11485 O WAT X3133 54.628 19.640 27.713 0.00 0.00 +ATOM 11486 H1 WAT X3133 54.751 19.751 28.655 0.00 0.00 +ATOM 11487 H2 WAT X3133 53.783 20.050 27.532 0.00 0.00 +ATOM 11488 O WAT X3134 58.309 61.589 29.103 0.00 0.00 +ATOM 11489 H1 WAT X3134 58.153 61.733 28.169 0.00 0.00 +ATOM 11490 H2 WAT X3134 59.252 61.435 29.166 0.00 0.00 +ATOM 11491 O WAT X3135 50.947 57.750 56.908 0.00 0.00 +ATOM 11492 H1 WAT X3135 51.179 58.470 56.321 0.00 0.00 +ATOM 11493 H2 WAT X3135 50.446 57.146 56.360 0.00 0.00 +ATOM 11494 O WAT X3136 51.013 17.199 35.977 0.00 0.00 +ATOM 11495 H1 WAT X3136 50.717 17.490 36.840 0.00 0.00 +ATOM 11496 H2 WAT X3136 50.710 16.293 35.913 0.00 0.00 +ATOM 11497 O WAT X3137 3.523 20.609 5.478 0.00 0.00 +ATOM 11498 H1 WAT X3137 3.145 20.209 6.261 0.00 0.00 +ATOM 11499 H2 WAT X3137 3.402 19.954 4.791 0.00 0.00 +ATOM 11500 O WAT X3138 18.892 5.292 43.213 0.00 0.00 +ATOM 11501 H1 WAT X3138 18.197 5.670 43.752 0.00 0.00 +ATOM 11502 H2 WAT X3138 19.553 5.982 43.157 0.00 0.00 +ATOM 11503 O WAT X3139 52.074 9.597 4.989 0.00 0.00 +ATOM 11504 H1 WAT X3139 52.014 8.744 5.420 0.00 0.00 +ATOM 11505 H2 WAT X3139 52.763 9.487 4.334 0.00 0.00 +ATOM 11506 O WAT X3140 72.055 19.634 19.063 0.00 0.00 +ATOM 11507 H1 WAT X3140 72.252 19.546 19.996 0.00 0.00 +ATOM 11508 H2 WAT X3140 72.180 20.565 18.879 0.00 0.00 +ATOM 11509 O WAT X3141 3.897 49.529 37.038 0.00 0.00 +ATOM 11510 H1 WAT X3141 3.315 50.282 36.940 0.00 0.00 +ATOM 11511 H2 WAT X3141 3.311 48.772 37.044 0.00 0.00 +ATOM 11512 O WAT X3142 5.686 9.497 38.109 0.00 0.00 +ATOM 11513 H1 WAT X3142 6.327 9.355 37.413 0.00 0.00 +ATOM 11514 H2 WAT X3142 5.586 10.448 38.152 0.00 0.00 +ATOM 11515 O WAT X3143 36.599 37.671 46.241 0.00 0.00 +ATOM 11516 H1 WAT X3143 35.981 37.436 46.933 0.00 0.00 +ATOM 11517 H2 WAT X3143 37.253 38.217 46.677 0.00 0.00 +ATOM 11518 O WAT X3144 64.695 51.499 10.347 0.00 0.00 +ATOM 11519 H1 WAT X3144 64.127 51.330 9.595 0.00 0.00 +ATOM 11520 H2 WAT X3144 64.112 51.875 11.007 0.00 0.00 +ATOM 11521 O WAT X3145 27.734 47.221 58.024 0.00 0.00 +ATOM 11522 H1 WAT X3145 27.470 46.317 57.850 0.00 0.00 +ATOM 11523 H2 WAT X3145 27.639 47.664 57.181 0.00 0.00 +ATOM 11524 O WAT X3146 45.636 1.404 0.936 0.00 0.00 +ATOM 11525 H1 WAT X3146 45.996 2.173 0.493 0.00 0.00 +ATOM 11526 H2 WAT X3146 46.275 1.200 1.619 0.00 0.00 +ATOM 11527 O WAT X3147 62.384 7.136 39.997 0.00 0.00 +ATOM 11528 H1 WAT X3147 62.346 8.081 40.148 0.00 0.00 +ATOM 11529 H2 WAT X3147 62.742 6.778 40.809 0.00 0.00 +ATOM 11530 O WAT X3148 25.483 51.437 26.691 0.00 0.00 +ATOM 11531 H1 WAT X3148 25.189 50.570 26.968 0.00 0.00 +ATOM 11532 H2 WAT X3148 25.715 51.884 27.505 0.00 0.00 +ATOM 11533 O WAT X3149 37.848 55.892 19.204 0.00 0.00 +ATOM 11534 H1 WAT X3149 37.334 56.061 18.415 0.00 0.00 +ATOM 11535 H2 WAT X3149 37.198 55.658 19.867 0.00 0.00 +ATOM 11536 O WAT X3150 59.918 55.991 28.738 0.00 0.00 +ATOM 11537 H1 WAT X3150 60.308 56.144 27.878 0.00 0.00 +ATOM 11538 H2 WAT X3150 59.253 55.320 28.584 0.00 0.00 +ATOM 11539 O WAT X3151 68.273 37.215 42.790 0.00 0.00 +ATOM 11540 H1 WAT X3151 68.706 37.318 41.942 0.00 0.00 +ATOM 11541 H2 WAT X3151 68.567 37.968 43.302 0.00 0.00 +ATOM 11542 O WAT X3152 0.617 22.336 48.131 0.00 0.00 +ATOM 11543 H1 WAT X3152 0.840 21.544 47.644 0.00 0.00 +ATOM 11544 H2 WAT X3152 1.356 22.470 48.724 0.00 0.00 +ATOM 11545 O WAT X3153 11.159 51.275 26.318 0.00 0.00 +ATOM 11546 H1 WAT X3153 11.504 50.796 27.072 0.00 0.00 +ATOM 11547 H2 WAT X3153 10.252 50.977 26.239 0.00 0.00 +ATOM 11548 O WAT X3154 46.486 16.425 25.734 0.00 0.00 +ATOM 11549 H1 WAT X3154 45.771 16.995 26.016 0.00 0.00 +ATOM 11550 H2 WAT X3154 46.058 15.602 25.499 0.00 0.00 +ATOM 11551 O WAT X3155 15.078 62.395 37.730 0.00 0.00 +ATOM 11552 H1 WAT X3155 14.898 63.292 38.014 0.00 0.00 +ATOM 11553 H2 WAT X3155 14.221 62.044 37.487 0.00 0.00 +ATOM 11554 O WAT X3156 52.643 16.143 15.537 0.00 0.00 +ATOM 11555 H1 WAT X3156 51.859 15.648 15.774 0.00 0.00 +ATOM 11556 H2 WAT X3156 52.470 17.031 15.851 0.00 0.00 +ATOM 11557 O WAT X3157 39.462 52.726 37.881 0.00 0.00 +ATOM 11558 H1 WAT X3157 39.359 53.676 37.830 0.00 0.00 +ATOM 11559 H2 WAT X3157 39.742 52.467 37.003 0.00 0.00 +ATOM 11560 O WAT X3158 19.174 45.250 51.346 0.00 0.00 +ATOM 11561 H1 WAT X3158 19.470 45.774 52.090 0.00 0.00 +ATOM 11562 H2 WAT X3158 19.074 44.366 51.701 0.00 0.00 +ATOM 11563 O WAT X3159 74.334 32.841 34.617 0.00 0.00 +ATOM 11564 H1 WAT X3159 73.706 32.300 35.094 0.00 0.00 +ATOM 11565 H2 WAT X3159 74.497 32.360 33.805 0.00 0.00 +ATOM 11566 O WAT X3160 42.362 8.736 20.167 0.00 0.00 +ATOM 11567 H1 WAT X3160 41.563 9.104 19.787 0.00 0.00 +ATOM 11568 H2 WAT X3160 42.345 9.020 21.081 0.00 0.00 +ATOM 11569 O WAT X3161 62.019 44.498 22.738 0.00 0.00 +ATOM 11570 H1 WAT X3161 62.580 44.136 23.424 0.00 0.00 +ATOM 11571 H2 WAT X3161 61.193 44.023 22.828 0.00 0.00 +ATOM 11572 O WAT X3162 19.673 15.895 22.834 0.00 0.00 +ATOM 11573 H1 WAT X3162 19.193 15.832 22.008 0.00 0.00 +ATOM 11574 H2 WAT X3162 20.208 15.102 22.861 0.00 0.00 +ATOM 11575 O WAT X3163 30.080 8.220 57.377 0.00 0.00 +ATOM 11576 H1 WAT X3163 29.196 7.959 57.119 0.00 0.00 +ATOM 11577 H2 WAT X3163 30.594 7.414 57.322 0.00 0.00 +ATOM 11578 O WAT X3164 76.200 54.603 41.490 0.00 0.00 +ATOM 11579 H1 WAT X3164 75.319 54.950 41.347 0.00 0.00 +ATOM 11580 H2 WAT X3164 76.264 54.496 42.439 0.00 0.00 +ATOM 11581 O WAT X3165 9.611 37.527 10.665 0.00 0.00 +ATOM 11582 H1 WAT X3165 8.679 37.380 10.827 0.00 0.00 +ATOM 11583 H2 WAT X3165 9.661 37.744 9.734 0.00 0.00 +ATOM 11584 O WAT X3166 15.237 14.882 26.256 0.00 0.00 +ATOM 11585 H1 WAT X3166 15.778 14.630 25.508 0.00 0.00 +ATOM 11586 H2 WAT X3166 15.371 14.182 26.895 0.00 0.00 +ATOM 11587 O WAT X3167 76.270 20.960 46.871 0.00 0.00 +ATOM 11588 H1 WAT X3167 76.872 20.680 46.182 0.00 0.00 +ATOM 11589 H2 WAT X3167 76.785 21.561 47.410 0.00 0.00 +ATOM 11590 O WAT X3168 26.482 56.221 22.194 0.00 0.00 +ATOM 11591 H1 WAT X3168 25.765 56.003 22.790 0.00 0.00 +ATOM 11592 H2 WAT X3168 27.275 56.025 22.691 0.00 0.00 +ATOM 11593 O WAT X3169 16.940 3.896 49.665 0.00 0.00 +ATOM 11594 H1 WAT X3169 17.075 4.544 50.356 0.00 0.00 +ATOM 11595 H2 WAT X3169 16.039 4.036 49.377 0.00 0.00 +ATOM 11596 O WAT X3170 8.882 13.368 5.482 0.00 0.00 +ATOM 11597 H1 WAT X3170 8.136 13.944 5.316 0.00 0.00 +ATOM 11598 H2 WAT X3170 8.747 12.626 4.892 0.00 0.00 +ATOM 11599 O WAT X3171 62.768 62.266 21.746 0.00 0.00 +ATOM 11600 H1 WAT X3171 61.817 62.193 21.670 0.00 0.00 +ATOM 11601 H2 WAT X3171 62.971 61.883 22.600 0.00 0.00 +ATOM 11602 O WAT X3172 35.443 17.860 39.852 0.00 0.00 +ATOM 11603 H1 WAT X3172 35.929 17.814 39.029 0.00 0.00 +ATOM 11604 H2 WAT X3172 34.534 18.000 39.586 0.00 0.00 +ATOM 11605 O WAT X3173 30.143 20.971 45.730 0.00 0.00 +ATOM 11606 H1 WAT X3173 29.834 20.068 45.653 0.00 0.00 +ATOM 11607 H2 WAT X3173 30.052 21.176 46.660 0.00 0.00 +ATOM 11608 O WAT X3174 23.634 44.277 16.031 0.00 0.00 +ATOM 11609 H1 WAT X3174 23.014 44.270 15.302 0.00 0.00 +ATOM 11610 H2 WAT X3174 23.324 44.980 16.603 0.00 0.00 +ATOM 11611 O WAT X3175 60.943 15.330 58.074 0.00 0.00 +ATOM 11612 H1 WAT X3175 60.142 14.933 57.731 0.00 0.00 +ATOM 11613 H2 WAT X3175 61.033 16.148 57.585 0.00 0.00 +ATOM 11614 O WAT X3176 21.620 59.024 26.010 0.00 0.00 +ATOM 11615 H1 WAT X3176 21.314 58.394 25.358 0.00 0.00 +ATOM 11616 H2 WAT X3176 22.149 59.647 25.512 0.00 0.00 +ATOM 11617 O WAT X3177 56.521 62.752 52.752 0.00 0.00 +ATOM 11618 H1 WAT X3177 55.915 62.020 52.866 0.00 0.00 +ATOM 11619 H2 WAT X3177 55.965 63.530 52.786 0.00 0.00 +ATOM 11620 O WAT X3178 34.569 42.297 11.376 0.00 0.00 +ATOM 11621 H1 WAT X3178 34.986 41.436 11.344 0.00 0.00 +ATOM 11622 H2 WAT X3178 34.168 42.402 10.513 0.00 0.00 +ATOM 11623 O WAT X3179 39.669 56.355 8.294 0.00 0.00 +ATOM 11624 H1 WAT X3179 40.181 56.642 9.051 0.00 0.00 +ATOM 11625 H2 WAT X3179 40.060 56.816 7.552 0.00 0.00 +ATOM 11626 O WAT X3180 0.446 15.726 41.578 0.00 0.00 +ATOM 11627 H1 WAT X3180 -0.484 15.895 41.426 0.00 0.00 +ATOM 11628 H2 WAT X3180 0.667 15.029 40.960 0.00 0.00 +ATOM 11629 O WAT X3181 65.620 20.486 17.535 0.00 0.00 +ATOM 11630 H1 WAT X3181 65.371 20.263 18.432 0.00 0.00 +ATOM 11631 H2 WAT X3181 64.987 21.154 17.270 0.00 0.00 +ATOM 11632 O WAT X3182 30.114 57.397 6.074 0.00 0.00 +ATOM 11633 H1 WAT X3182 30.653 58.031 6.548 0.00 0.00 +ATOM 11634 H2 WAT X3182 30.589 56.570 6.155 0.00 0.00 +ATOM 11635 O WAT X3183 9.945 25.393 47.505 0.00 0.00 +ATOM 11636 H1 WAT X3183 10.362 25.372 48.366 0.00 0.00 +ATOM 11637 H2 WAT X3183 10.654 25.206 46.890 0.00 0.00 +ATOM 11638 O WAT X3184 76.972 61.096 40.644 0.00 0.00 +ATOM 11639 H1 WAT X3184 76.952 60.423 41.324 0.00 0.00 +ATOM 11640 H2 WAT X3184 76.052 61.242 40.423 0.00 0.00 +ATOM 11641 O WAT X3185 12.319 54.983 55.905 0.00 0.00 +ATOM 11642 H1 WAT X3185 11.938 54.361 55.285 0.00 0.00 +ATOM 11643 H2 WAT X3185 11.710 54.988 56.644 0.00 0.00 +ATOM 11644 O WAT X3186 74.090 47.346 48.354 0.00 0.00 +ATOM 11645 H1 WAT X3186 73.620 47.650 49.131 0.00 0.00 +ATOM 11646 H2 WAT X3186 75.010 47.528 48.545 0.00 0.00 +ATOM 11647 O WAT X3187 4.613 59.859 1.096 0.00 0.00 +ATOM 11648 H1 WAT X3187 3.763 59.964 1.523 0.00 0.00 +ATOM 11649 H2 WAT X3187 4.635 58.940 0.830 0.00 0.00 +ATOM 11650 O WAT X3188 43.430 15.834 7.129 0.00 0.00 +ATOM 11651 H1 WAT X3188 43.327 15.467 6.251 0.00 0.00 +ATOM 11652 H2 WAT X3188 43.944 16.631 6.997 0.00 0.00 +ATOM 11653 O WAT X3189 74.284 35.616 40.743 0.00 0.00 +ATOM 11654 H1 WAT X3189 73.871 35.046 40.094 0.00 0.00 +ATOM 11655 H2 WAT X3189 75.074 35.145 41.008 0.00 0.00 +ATOM 11656 O WAT X3190 53.565 8.005 15.536 0.00 0.00 +ATOM 11657 H1 WAT X3190 52.626 8.099 15.378 0.00 0.00 +ATOM 11658 H2 WAT X3190 53.671 7.098 15.822 0.00 0.00 +ATOM 11659 O WAT X3191 62.649 49.504 55.244 0.00 0.00 +ATOM 11660 H1 WAT X3191 63.243 50.140 55.643 0.00 0.00 +ATOM 11661 H2 WAT X3191 63.062 49.282 54.409 0.00 0.00 +ATOM 11662 O WAT X3192 14.769 4.213 52.408 0.00 0.00 +ATOM 11663 H1 WAT X3192 14.074 3.999 53.029 0.00 0.00 +ATOM 11664 H2 WAT X3192 14.491 5.039 52.011 0.00 0.00 +ATOM 11665 O WAT X3193 19.054 24.767 3.874 0.00 0.00 +ATOM 11666 H1 WAT X3193 19.886 24.586 3.436 0.00 0.00 +ATOM 11667 H2 WAT X3193 18.774 23.919 4.217 0.00 0.00 +ATOM 11668 O WAT X3194 27.121 44.752 56.976 0.00 0.00 +ATOM 11669 H1 WAT X3194 26.453 44.499 57.614 0.00 0.00 +ATOM 11670 H2 WAT X3194 26.873 44.293 56.174 0.00 0.00 +ATOM 11671 O WAT X3195 73.499 19.704 24.458 0.00 0.00 +ATOM 11672 H1 WAT X3195 72.927 20.111 25.108 0.00 0.00 +ATOM 11673 H2 WAT X3195 74.367 19.714 24.862 0.00 0.00 +ATOM 11674 O WAT X3196 76.779 11.995 30.587 0.00 0.00 +ATOM 11675 H1 WAT X3196 76.264 12.468 31.241 0.00 0.00 +ATOM 11676 H2 WAT X3196 76.996 11.164 31.010 0.00 0.00 +ATOM 11677 O WAT X3197 13.172 24.247 28.379 0.00 0.00 +ATOM 11678 H1 WAT X3197 13.450 24.876 27.713 0.00 0.00 +ATOM 11679 H2 WAT X3197 12.722 24.777 29.036 0.00 0.00 +ATOM 11680 O WAT X3198 76.013 25.141 32.832 0.00 0.00 +ATOM 11681 H1 WAT X3198 76.459 24.491 32.289 0.00 0.00 +ATOM 11682 H2 WAT X3198 76.558 25.213 33.616 0.00 0.00 +ATOM 11683 O WAT X3199 66.714 55.976 33.339 0.00 0.00 +ATOM 11684 H1 WAT X3199 67.200 55.628 34.087 0.00 0.00 +ATOM 11685 H2 WAT X3199 65.826 55.636 33.450 0.00 0.00 +ATOM 11686 O WAT X3200 19.298 14.599 52.540 0.00 0.00 +ATOM 11687 H1 WAT X3200 19.003 15.227 53.199 0.00 0.00 +ATOM 11688 H2 WAT X3200 19.894 14.018 53.012 0.00 0.00 +ATOM 11689 O WAT X3201 41.996 40.048 16.623 0.00 0.00 +ATOM 11690 H1 WAT X3201 41.769 40.978 16.651 0.00 0.00 +ATOM 11691 H2 WAT X3201 42.321 39.855 17.502 0.00 0.00 +ATOM 11692 O WAT X3202 59.580 46.162 1.616 0.00 0.00 +ATOM 11693 H1 WAT X3202 58.659 46.016 1.402 0.00 0.00 +ATOM 11694 H2 WAT X3202 60.058 45.840 0.851 0.00 0.00 +ATOM 11695 O WAT X3203 49.679 7.200 57.046 0.00 0.00 +ATOM 11696 H1 WAT X3203 50.245 7.755 57.583 0.00 0.00 +ATOM 11697 H2 WAT X3203 49.428 6.481 57.626 0.00 0.00 +ATOM 11698 O WAT X3204 5.371 30.527 53.924 0.00 0.00 +ATOM 11699 H1 WAT X3204 5.034 29.636 53.832 0.00 0.00 +ATOM 11700 H2 WAT X3204 5.990 30.625 53.201 0.00 0.00 +ATOM 11701 O WAT X3205 21.558 52.590 53.236 0.00 0.00 +ATOM 11702 H1 WAT X3205 22.420 52.284 52.952 0.00 0.00 +ATOM 11703 H2 WAT X3205 21.338 53.289 52.620 0.00 0.00 +ATOM 11704 O WAT X3206 38.670 51.926 53.193 0.00 0.00 +ATOM 11705 H1 WAT X3206 39.072 52.065 52.336 0.00 0.00 +ATOM 11706 H2 WAT X3206 38.688 50.977 53.315 0.00 0.00 +ATOM 11707 O WAT X3207 32.159 50.179 22.453 0.00 0.00 +ATOM 11708 H1 WAT X3207 32.803 49.472 22.490 0.00 0.00 +ATOM 11709 H2 WAT X3207 31.321 49.748 22.624 0.00 0.00 +ATOM 11710 O WAT X3208 20.440 38.757 13.062 0.00 0.00 +ATOM 11711 H1 WAT X3208 20.278 37.903 12.661 0.00 0.00 +ATOM 11712 H2 WAT X3208 20.707 38.554 13.958 0.00 0.00 +ATOM 11713 O WAT X3209 46.289 49.245 50.429 0.00 0.00 +ATOM 11714 H1 WAT X3209 46.802 48.445 50.536 0.00 0.00 +ATOM 11715 H2 WAT X3209 46.800 49.919 50.876 0.00 0.00 +ATOM 11716 O WAT X3210 49.071 25.902 19.915 0.00 0.00 +ATOM 11717 H1 WAT X3210 49.998 25.726 20.075 0.00 0.00 +ATOM 11718 H2 WAT X3210 48.608 25.245 20.436 0.00 0.00 +ATOM 11719 O WAT X3211 48.943 2.781 12.363 0.00 0.00 +ATOM 11720 H1 WAT X3211 48.069 2.409 12.482 0.00 0.00 +ATOM 11721 H2 WAT X3211 49.464 2.061 12.008 0.00 0.00 +ATOM 11722 O WAT X3212 71.360 15.123 13.914 0.00 0.00 +ATOM 11723 H1 WAT X3212 71.043 16.013 14.066 0.00 0.00 +ATOM 11724 H2 WAT X3212 71.829 14.896 14.717 0.00 0.00 +ATOM 11725 O WAT X3213 42.569 60.952 46.245 0.00 0.00 +ATOM 11726 H1 WAT X3213 42.030 61.722 46.067 0.00 0.00 +ATOM 11727 H2 WAT X3213 42.607 60.901 47.200 0.00 0.00 +ATOM 11728 O WAT X3214 56.832 55.082 9.874 0.00 0.00 +ATOM 11729 H1 WAT X3214 57.361 55.877 9.951 0.00 0.00 +ATOM 11730 H2 WAT X3214 57.296 54.548 9.229 0.00 0.00 +ATOM 11731 O WAT X3215 65.298 58.852 7.312 0.00 0.00 +ATOM 11732 H1 WAT X3215 64.409 58.953 6.972 0.00 0.00 +ATOM 11733 H2 WAT X3215 65.201 58.275 8.070 0.00 0.00 +ATOM 11734 O WAT X3216 26.593 55.017 35.670 0.00 0.00 +ATOM 11735 H1 WAT X3216 27.248 55.631 35.338 0.00 0.00 +ATOM 11736 H2 WAT X3216 26.197 55.469 36.416 0.00 0.00 +ATOM 11737 O WAT X3217 41.348 35.115 49.625 0.00 0.00 +ATOM 11738 H1 WAT X3217 40.583 35.366 50.142 0.00 0.00 +ATOM 11739 H2 WAT X3217 41.812 34.483 50.175 0.00 0.00 +ATOM 11740 O WAT X3218 49.804 60.066 13.647 0.00 0.00 +ATOM 11741 H1 WAT X3218 50.310 59.264 13.511 0.00 0.00 +ATOM 11742 H2 WAT X3218 49.786 60.179 14.598 0.00 0.00 +ATOM 11743 O WAT X3219 36.547 11.685 55.989 0.00 0.00 +ATOM 11744 H1 WAT X3219 37.226 12.345 56.126 0.00 0.00 +ATOM 11745 H2 WAT X3219 36.075 11.651 56.821 0.00 0.00 +ATOM 11746 O WAT X3220 66.832 4.061 40.828 0.00 0.00 +ATOM 11747 H1 WAT X3220 67.143 3.854 39.947 0.00 0.00 +ATOM 11748 H2 WAT X3220 65.894 4.216 40.720 0.00 0.00 +ATOM 11749 O WAT X3221 53.693 62.484 2.447 0.00 0.00 +ATOM 11750 H1 WAT X3221 53.585 61.596 2.788 0.00 0.00 +ATOM 11751 H2 WAT X3221 54.392 62.407 1.798 0.00 0.00 +ATOM 11752 O WAT X3222 39.042 60.646 15.948 0.00 0.00 +ATOM 11753 H1 WAT X3222 38.177 60.293 16.157 0.00 0.00 +ATOM 11754 H2 WAT X3222 39.133 60.512 15.005 0.00 0.00 +ATOM 11755 O WAT X3223 48.494 60.863 40.079 0.00 0.00 +ATOM 11756 H1 WAT X3223 47.873 61.084 39.385 0.00 0.00 +ATOM 11757 H2 WAT X3223 49.074 60.212 39.684 0.00 0.00 +ATOM 11758 O WAT X3224 66.269 61.765 31.940 0.00 0.00 +ATOM 11759 H1 WAT X3224 65.694 61.002 31.883 0.00 0.00 +ATOM 11760 H2 WAT X3224 67.141 61.398 32.081 0.00 0.00 +ATOM 11761 O WAT X3225 75.765 37.268 51.610 0.00 0.00 +ATOM 11762 H1 WAT X3225 76.369 36.610 51.953 0.00 0.00 +ATOM 11763 H2 WAT X3225 75.863 37.210 50.659 0.00 0.00 +ATOM 11764 O WAT X3226 53.247 13.322 9.045 0.00 0.00 +ATOM 11765 H1 WAT X3226 53.236 13.061 8.124 0.00 0.00 +ATOM 11766 H2 WAT X3226 52.779 12.621 9.498 0.00 0.00 +ATOM 11767 O WAT X3227 61.797 54.849 34.936 0.00 0.00 +ATOM 11768 H1 WAT X3227 61.652 53.906 35.013 0.00 0.00 +ATOM 11769 H2 WAT X3227 61.116 55.241 35.482 0.00 0.00 +ATOM 11770 O WAT X3228 60.215 26.902 27.904 0.00 0.00 +ATOM 11771 H1 WAT X3228 61.042 27.270 27.594 0.00 0.00 +ATOM 11772 H2 WAT X3228 60.049 26.160 27.322 0.00 0.00 +ATOM 11773 O WAT X3229 23.653 9.195 31.304 0.00 0.00 +ATOM 11774 H1 WAT X3229 23.799 9.930 30.708 0.00 0.00 +ATOM 11775 H2 WAT X3229 23.503 9.604 32.157 0.00 0.00 +ATOM 11776 O WAT X3230 19.658 5.119 46.399 0.00 0.00 +ATOM 11777 H1 WAT X3230 19.920 4.220 46.597 0.00 0.00 +ATOM 11778 H2 WAT X3230 18.701 5.101 46.429 0.00 0.00 +ATOM 11779 O WAT X3231 63.726 49.658 25.563 0.00 0.00 +ATOM 11780 H1 WAT X3231 64.312 49.847 24.830 0.00 0.00 +ATOM 11781 H2 WAT X3231 64.250 49.122 26.158 0.00 0.00 +ATOM 11782 O WAT X3232 61.535 42.452 17.708 0.00 0.00 +ATOM 11783 H1 WAT X3232 62.275 42.331 18.303 0.00 0.00 +ATOM 11784 H2 WAT X3232 61.329 43.385 17.769 0.00 0.00 +ATOM 11785 O WAT X3233 55.999 10.622 24.483 0.00 0.00 +ATOM 11786 H1 WAT X3233 56.756 10.039 24.538 0.00 0.00 +ATOM 11787 H2 WAT X3233 55.243 10.043 24.580 0.00 0.00 +ATOM 11788 O WAT X3234 38.145 62.426 7.837 0.00 0.00 +ATOM 11789 H1 WAT X3234 37.701 63.272 7.903 0.00 0.00 +ATOM 11790 H2 WAT X3234 39.022 62.641 7.519 0.00 0.00 +ATOM 11791 O WAT X3235 57.776 2.864 39.048 0.00 0.00 +ATOM 11792 H1 WAT X3235 58.052 2.716 39.952 0.00 0.00 +ATOM 11793 H2 WAT X3235 58.057 3.759 38.855 0.00 0.00 +ATOM 11794 O WAT X3236 13.755 19.629 16.277 0.00 0.00 +ATOM 11795 H1 WAT X3236 13.656 18.790 15.827 0.00 0.00 +ATOM 11796 H2 WAT X3236 14.607 19.570 16.709 0.00 0.00 +ATOM 11797 O WAT X3237 77.401 38.053 31.793 0.00 0.00 +ATOM 11798 H1 WAT X3237 76.892 38.398 31.060 0.00 0.00 +ATOM 11799 H2 WAT X3237 77.255 37.107 31.762 0.00 0.00 +ATOM 11800 O WAT X3238 30.223 28.317 38.976 0.00 0.00 +ATOM 11801 H1 WAT X3238 30.459 28.629 39.849 0.00 0.00 +ATOM 11802 H2 WAT X3238 30.519 27.407 38.959 0.00 0.00 +ATOM 11803 O WAT X3239 55.626 39.525 12.476 0.00 0.00 +ATOM 11804 H1 WAT X3239 55.812 38.720 11.992 0.00 0.00 +ATOM 11805 H2 WAT X3239 55.158 39.231 13.258 0.00 0.00 +ATOM 11806 O WAT X3240 74.645 13.026 32.230 0.00 0.00 +ATOM 11807 H1 WAT X3240 74.995 13.238 33.096 0.00 0.00 +ATOM 11808 H2 WAT X3240 74.719 13.843 31.736 0.00 0.00 +ATOM 11809 O WAT X3241 44.376 12.179 14.065 0.00 0.00 +ATOM 11810 H1 WAT X3241 44.397 13.034 13.636 0.00 0.00 +ATOM 11811 H2 WAT X3241 44.852 12.310 14.885 0.00 0.00 +ATOM 11812 O WAT X3242 33.522 62.098 29.428 0.00 0.00 +ATOM 11813 H1 WAT X3242 32.939 61.723 30.089 0.00 0.00 +ATOM 11814 H2 WAT X3242 33.418 63.044 29.526 0.00 0.00 +ATOM 11815 O WAT X3243 17.454 23.870 14.909 0.00 0.00 +ATOM 11816 H1 WAT X3243 17.981 24.642 14.706 0.00 0.00 +ATOM 11817 H2 WAT X3243 17.801 23.185 14.337 0.00 0.00 +ATOM 11818 O WAT X3244 69.257 14.305 38.856 0.00 0.00 +ATOM 11819 H1 WAT X3244 68.842 14.054 38.030 0.00 0.00 +ATOM 11820 H2 WAT X3244 69.670 13.501 39.171 0.00 0.00 +ATOM 11821 O WAT X3245 69.104 57.646 16.978 0.00 0.00 +ATOM 11822 H1 WAT X3245 69.265 58.562 17.206 0.00 0.00 +ATOM 11823 H2 WAT X3245 69.873 57.388 16.470 0.00 0.00 +ATOM 11824 O WAT X3246 6.356 14.562 7.072 0.00 0.00 +ATOM 11825 H1 WAT X3246 6.323 15.075 6.265 0.00 0.00 +ATOM 11826 H2 WAT X3246 7.226 14.737 7.431 0.00 0.00 +ATOM 11827 O WAT X3247 53.234 60.457 16.862 0.00 0.00 +ATOM 11828 H1 WAT X3247 52.994 60.911 16.055 0.00 0.00 +ATOM 11829 H2 WAT X3247 52.452 60.513 17.411 0.00 0.00 +ATOM 11830 O WAT X3248 38.187 18.021 53.932 0.00 0.00 +ATOM 11831 H1 WAT X3248 38.624 18.405 54.691 0.00 0.00 +ATOM 11832 H2 WAT X3248 37.932 17.144 54.221 0.00 0.00 +ATOM 11833 O WAT X3249 26.508 40.333 36.339 0.00 0.00 +ATOM 11834 H1 WAT X3249 26.167 39.865 37.100 0.00 0.00 +ATOM 11835 H2 WAT X3249 26.308 41.253 36.513 0.00 0.00 +ATOM 11836 O WAT X3250 2.022 51.968 36.932 0.00 0.00 +ATOM 11837 H1 WAT X3250 2.153 52.821 37.345 0.00 0.00 +ATOM 11838 H2 WAT X3250 1.747 52.175 36.038 0.00 0.00 +ATOM 11839 O WAT X3251 39.084 50.750 46.594 0.00 0.00 +ATOM 11840 H1 WAT X3251 39.483 51.042 45.775 0.00 0.00 +ATOM 11841 H2 WAT X3251 39.789 50.296 47.056 0.00 0.00 +ATOM 11842 O WAT X3252 69.014 3.591 22.992 0.00 0.00 +ATOM 11843 H1 WAT X3252 69.240 4.022 23.816 0.00 0.00 +ATOM 11844 H2 WAT X3252 68.392 4.187 22.573 0.00 0.00 +ATOM 11845 O WAT X3253 41.063 16.870 43.382 0.00 0.00 +ATOM 11846 H1 WAT X3253 41.498 16.071 43.083 0.00 0.00 +ATOM 11847 H2 WAT X3253 40.775 17.300 42.577 0.00 0.00 +ATOM 11848 O WAT X3254 26.059 57.135 53.623 0.00 0.00 +ATOM 11849 H1 WAT X3254 25.395 56.967 54.291 0.00 0.00 +ATOM 11850 H2 WAT X3254 26.695 56.429 53.734 0.00 0.00 +ATOM 11851 O WAT X3255 10.975 51.647 32.699 0.00 0.00 +ATOM 11852 H1 WAT X3255 10.022 51.634 32.613 0.00 0.00 +ATOM 11853 H2 WAT X3255 11.246 52.441 32.239 0.00 0.00 +ATOM 11854 O WAT X3256 30.371 5.764 55.286 0.00 0.00 +ATOM 11855 H1 WAT X3256 29.923 4.925 55.178 0.00 0.00 +ATOM 11856 H2 WAT X3256 30.013 6.317 54.591 0.00 0.00 +ATOM 11857 O WAT X3257 50.997 18.293 38.492 0.00 0.00 +ATOM 11858 H1 WAT X3257 51.104 17.923 39.368 0.00 0.00 +ATOM 11859 H2 WAT X3257 50.793 19.216 38.645 0.00 0.00 +ATOM 11860 O WAT X3258 75.606 61.449 35.618 0.00 0.00 +ATOM 11861 H1 WAT X3258 74.722 61.748 35.404 0.00 0.00 +ATOM 11862 H2 WAT X3258 75.715 61.666 36.544 0.00 0.00 +ATOM 11863 O WAT X3259 76.001 61.974 32.799 0.00 0.00 +ATOM 11864 H1 WAT X3259 75.980 61.577 33.670 0.00 0.00 +ATOM 11865 H2 WAT X3259 75.121 62.330 32.677 0.00 0.00 +ATOM 11866 O WAT X3260 69.553 40.821 41.978 0.00 0.00 +ATOM 11867 H1 WAT X3260 68.731 40.562 41.562 0.00 0.00 +ATOM 11868 H2 WAT X3260 70.232 40.407 41.445 0.00 0.00 +ATOM 11869 O WAT X3261 19.338 42.585 3.821 0.00 0.00 +ATOM 11870 H1 WAT X3261 18.877 43.225 3.278 0.00 0.00 +ATOM 11871 H2 WAT X3261 19.559 41.875 3.219 0.00 0.00 +ATOM 11872 O WAT X3262 36.856 14.606 24.586 0.00 0.00 +ATOM 11873 H1 WAT X3262 36.344 14.306 25.337 0.00 0.00 +ATOM 11874 H2 WAT X3262 37.762 14.597 24.894 0.00 0.00 +ATOM 11875 O WAT X3263 71.382 50.551 51.937 0.00 0.00 +ATOM 11876 H1 WAT X3263 71.106 49.816 52.485 0.00 0.00 +ATOM 11877 H2 WAT X3263 70.623 51.134 51.918 0.00 0.00 +ATOM 11878 O WAT X3264 41.795 57.156 21.121 0.00 0.00 +ATOM 11879 H1 WAT X3264 41.122 57.281 20.453 0.00 0.00 +ATOM 11880 H2 WAT X3264 42.392 57.894 21.001 0.00 0.00 +ATOM 11881 O WAT X3265 27.525 34.485 6.829 0.00 0.00 +ATOM 11882 H1 WAT X3265 26.568 34.455 6.860 0.00 0.00 +ATOM 11883 H2 WAT X3265 27.800 33.599 7.062 0.00 0.00 +ATOM 11884 O WAT X3266 72.345 42.920 46.594 0.00 0.00 +ATOM 11885 H1 WAT X3266 72.858 43.259 47.328 0.00 0.00 +ATOM 11886 H2 WAT X3266 72.996 42.695 45.930 0.00 0.00 +ATOM 11887 O WAT X3267 75.586 51.964 21.334 0.00 0.00 +ATOM 11888 H1 WAT X3267 76.382 51.503 21.067 0.00 0.00 +ATOM 11889 H2 WAT X3267 75.898 52.798 21.684 0.00 0.00 +ATOM 11890 O WAT X3268 2.177 3.128 16.694 0.00 0.00 +ATOM 11891 H1 WAT X3268 1.653 3.658 16.094 0.00 0.00 +ATOM 11892 H2 WAT X3268 2.775 2.643 16.126 0.00 0.00 +ATOM 11893 O WAT X3269 52.915 55.913 2.369 0.00 0.00 +ATOM 11894 H1 WAT X3269 52.917 55.496 1.507 0.00 0.00 +ATOM 11895 H2 WAT X3269 52.198 56.546 2.327 0.00 0.00 +ATOM 11896 O WAT X3270 33.607 58.054 30.556 0.00 0.00 +ATOM 11897 H1 WAT X3270 33.595 58.591 29.763 0.00 0.00 +ATOM 11898 H2 WAT X3270 33.136 57.257 30.312 0.00 0.00 +ATOM 11899 O WAT X3271 7.954 61.264 22.983 0.00 0.00 +ATOM 11900 H1 WAT X3271 7.229 61.195 22.362 0.00 0.00 +ATOM 11901 H2 WAT X3271 8.428 62.050 22.711 0.00 0.00 +ATOM 11902 O WAT X3272 56.774 63.127 46.623 0.00 0.00 +ATOM 11903 H1 WAT X3272 57.395 63.193 47.348 0.00 0.00 +ATOM 11904 H2 WAT X3272 56.006 62.701 47.003 0.00 0.00 +ATOM 11905 O WAT X3273 75.617 24.380 4.573 0.00 0.00 +ATOM 11906 H1 WAT X3273 75.395 25.292 4.388 0.00 0.00 +ATOM 11907 H2 WAT X3273 75.259 23.891 3.832 0.00 0.00 +ATOM 11908 O WAT X3274 24.064 55.878 10.766 0.00 0.00 +ATOM 11909 H1 WAT X3274 24.080 54.921 10.779 0.00 0.00 +ATOM 11910 H2 WAT X3274 23.947 56.103 9.843 0.00 0.00 +ATOM 11911 O WAT X3275 18.217 40.328 54.123 0.00 0.00 +ATOM 11912 H1 WAT X3275 18.836 40.614 54.795 0.00 0.00 +ATOM 11913 H2 WAT X3275 17.515 39.898 54.611 0.00 0.00 +ATOM 11914 O WAT X3276 4.940 6.790 7.068 0.00 0.00 +ATOM 11915 H1 WAT X3276 5.782 6.922 7.505 0.00 0.00 +ATOM 11916 H2 WAT X3276 5.143 6.851 6.135 0.00 0.00 +ATOM 11917 O WAT X3277 8.034 43.956 26.703 0.00 0.00 +ATOM 11918 H1 WAT X3277 7.763 43.075 26.444 0.00 0.00 +ATOM 11919 H2 WAT X3277 7.850 43.996 27.642 0.00 0.00 +ATOM 11920 O WAT X3278 67.870 52.905 7.865 0.00 0.00 +ATOM 11921 H1 WAT X3278 68.472 52.620 7.178 0.00 0.00 +ATOM 11922 H2 WAT X3278 67.058 52.433 7.683 0.00 0.00 +ATOM 11923 O WAT X3279 51.077 7.642 19.635 0.00 0.00 +ATOM 11924 H1 WAT X3279 51.919 7.860 20.034 0.00 0.00 +ATOM 11925 H2 WAT X3279 50.461 7.631 20.368 0.00 0.00 +ATOM 11926 O WAT X3280 52.729 10.108 44.224 0.00 0.00 +ATOM 11927 H1 WAT X3280 53.579 10.546 44.191 0.00 0.00 +ATOM 11928 H2 WAT X3280 52.262 10.546 44.936 0.00 0.00 +ATOM 11929 O WAT X3281 40.810 46.971 51.506 0.00 0.00 +ATOM 11930 H1 WAT X3281 40.020 46.565 51.150 0.00 0.00 +ATOM 11931 H2 WAT X3281 41.527 46.581 51.006 0.00 0.00 +ATOM 11932 O WAT X3282 50.636 38.146 54.215 0.00 0.00 +ATOM 11933 H1 WAT X3282 51.142 37.641 54.851 0.00 0.00 +ATOM 11934 H2 WAT X3282 50.501 38.995 54.635 0.00 0.00 +ATOM 11935 O WAT X3283 19.838 62.854 32.056 0.00 0.00 +ATOM 11936 H1 WAT X3283 18.909 62.622 32.053 0.00 0.00 +ATOM 11937 H2 WAT X3283 20.261 62.155 31.558 0.00 0.00 +ATOM 11938 O WAT X3284 20.180 37.319 49.022 0.00 0.00 +ATOM 11939 H1 WAT X3284 20.299 38.260 49.152 0.00 0.00 +ATOM 11940 H2 WAT X3284 20.875 37.072 48.412 0.00 0.00 +ATOM 11941 O WAT X3285 37.293 6.412 12.104 0.00 0.00 +ATOM 11942 H1 WAT X3285 37.237 6.739 13.002 0.00 0.00 +ATOM 11943 H2 WAT X3285 37.215 5.462 12.189 0.00 0.00 +ATOM 11944 O WAT X3286 11.864 6.954 8.920 0.00 0.00 +ATOM 11945 H1 WAT X3286 11.942 6.002 8.985 0.00 0.00 +ATOM 11946 H2 WAT X3286 12.767 7.270 8.942 0.00 0.00 +ATOM 11947 O WAT X3287 14.014 13.108 22.455 0.00 0.00 +ATOM 11948 H1 WAT X3287 13.910 12.758 21.570 0.00 0.00 +ATOM 11949 H2 WAT X3287 14.264 12.350 22.984 0.00 0.00 +ATOM 11950 O WAT X3288 32.466 13.270 8.326 0.00 0.00 +ATOM 11951 H1 WAT X3288 33.379 13.040 8.154 0.00 0.00 +ATOM 11952 H2 WAT X3288 31.978 12.465 8.152 0.00 0.00 +ATOM 11953 O WAT X3289 56.912 55.640 47.425 0.00 0.00 +ATOM 11954 H1 WAT X3289 56.376 55.939 46.690 0.00 0.00 +ATOM 11955 H2 WAT X3289 56.279 55.426 48.110 0.00 0.00 +ATOM 11956 O WAT X3290 17.618 2.777 17.187 0.00 0.00 +ATOM 11957 H1 WAT X3290 18.136 2.706 16.385 0.00 0.00 +ATOM 11958 H2 WAT X3290 18.255 3.002 17.865 0.00 0.00 +ATOM 11959 O WAT X3291 10.265 43.964 17.736 0.00 0.00 +ATOM 11960 H1 WAT X3291 10.560 44.054 16.830 0.00 0.00 +ATOM 11961 H2 WAT X3291 10.531 43.080 17.988 0.00 0.00 +ATOM 11962 O WAT X3292 50.190 47.994 28.662 0.00 0.00 +ATOM 11963 H1 WAT X3292 49.381 47.490 28.570 0.00 0.00 +ATOM 11964 H2 WAT X3292 50.715 47.745 27.901 0.00 0.00 +ATOM 11965 O WAT X3293 72.953 36.939 53.277 0.00 0.00 +ATOM 11966 H1 WAT X3293 73.830 36.626 53.498 0.00 0.00 +ATOM 11967 H2 WAT X3293 73.048 37.889 53.207 0.00 0.00 +ATOM 11968 O WAT X3294 42.424 46.436 46.019 0.00 0.00 +ATOM 11969 H1 WAT X3294 41.481 46.598 45.976 0.00 0.00 +ATOM 11970 H2 WAT X3294 42.620 45.954 45.216 0.00 0.00 +ATOM 11971 O WAT X3295 63.604 2.501 17.351 0.00 0.00 +ATOM 11972 H1 WAT X3295 64.485 2.479 16.978 0.00 0.00 +ATOM 11973 H2 WAT X3295 63.365 3.428 17.343 0.00 0.00 +ATOM 11974 O WAT X3296 25.091 47.874 35.410 0.00 0.00 +ATOM 11975 H1 WAT X3296 24.168 48.033 35.607 0.00 0.00 +ATOM 11976 H2 WAT X3296 25.550 48.090 36.222 0.00 0.00 +ATOM 11977 O WAT X3297 65.621 47.283 55.177 0.00 0.00 +ATOM 11978 H1 WAT X3297 65.465 47.936 55.858 0.00 0.00 +ATOM 11979 H2 WAT X3297 66.112 47.753 54.502 0.00 0.00 +ATOM 11980 O WAT X3298 72.343 58.821 37.153 0.00 0.00 +ATOM 11981 H1 WAT X3298 71.843 59.624 37.007 0.00 0.00 +ATOM 11982 H2 WAT X3298 72.985 58.806 36.443 0.00 0.00 +ATOM 11983 O WAT X3299 53.961 7.082 10.373 0.00 0.00 +ATOM 11984 H1 WAT X3299 53.590 7.409 11.192 0.00 0.00 +ATOM 11985 H2 WAT X3299 54.906 7.076 10.524 0.00 0.00 +ATOM 11986 O WAT X3300 62.340 40.549 13.862 0.00 0.00 +ATOM 11987 H1 WAT X3300 62.955 41.265 14.025 0.00 0.00 +ATOM 11988 H2 WAT X3300 61.546 40.803 14.332 0.00 0.00 +ATOM 11989 O WAT X3301 48.817 28.782 2.669 0.00 0.00 +ATOM 11990 H1 WAT X3301 49.677 28.901 3.074 0.00 0.00 +ATOM 11991 H2 WAT X3301 48.195 28.946 3.378 0.00 0.00 +ATOM 11992 O WAT X3302 51.742 38.802 58.004 0.00 0.00 +ATOM 11993 H1 WAT X3302 52.502 39.364 57.854 0.00 0.00 +ATOM 11994 H2 WAT X3302 51.708 38.234 57.234 0.00 0.00 +ATOM 11995 O WAT X3303 57.426 39.585 3.680 0.00 0.00 +ATOM 11996 H1 WAT X3303 57.597 39.588 4.622 0.00 0.00 +ATOM 11997 H2 WAT X3303 58.292 39.648 3.278 0.00 0.00 +ATOM 11998 O WAT X3304 57.963 60.047 54.534 0.00 0.00 +ATOM 11999 H1 WAT X3304 58.592 60.748 54.366 0.00 0.00 +ATOM 12000 H2 WAT X3304 58.396 59.255 54.216 0.00 0.00 +ATOM 12001 O WAT X3305 10.903 5.937 38.312 0.00 0.00 +ATOM 12002 H1 WAT X3305 10.697 6.750 37.851 0.00 0.00 +ATOM 12003 H2 WAT X3305 11.831 6.014 38.531 0.00 0.00 +ATOM 12004 O WAT X3306 6.738 11.273 24.722 0.00 0.00 +ATOM 12005 H1 WAT X3306 6.223 10.844 24.038 0.00 0.00 +ATOM 12006 H2 WAT X3306 6.086 11.671 25.299 0.00 0.00 +ATOM 12007 O WAT X3307 60.808 49.853 21.189 0.00 0.00 +ATOM 12008 H1 WAT X3307 61.632 49.438 21.443 0.00 0.00 +ATOM 12009 H2 WAT X3307 60.210 49.122 21.034 0.00 0.00 +ATOM 12010 O WAT X3308 35.813 62.376 46.702 0.00 0.00 +ATOM 12011 H1 WAT X3308 35.862 61.529 46.258 0.00 0.00 +ATOM 12012 H2 WAT X3308 36.276 62.978 46.119 0.00 0.00 +ATOM 12013 O WAT X3309 25.863 62.510 24.803 0.00 0.00 +ATOM 12014 H1 WAT X3309 25.729 62.648 23.865 0.00 0.00 +ATOM 12015 H2 WAT X3309 26.680 62.015 24.858 0.00 0.00 +ATOM 12016 O WAT X3310 54.977 36.128 50.901 0.00 0.00 +ATOM 12017 H1 WAT X3310 54.443 35.336 50.967 0.00 0.00 +ATOM 12018 H2 WAT X3310 54.965 36.499 51.784 0.00 0.00 +ATOM 12019 O WAT X3311 47.827 7.613 35.783 0.00 0.00 +ATOM 12020 H1 WAT X3311 47.622 7.174 34.957 0.00 0.00 +ATOM 12021 H2 WAT X3311 47.904 6.902 36.419 0.00 0.00 +ATOM 12022 O WAT X3312 24.830 37.820 47.858 0.00 0.00 +ATOM 12023 H1 WAT X3312 25.702 37.435 47.940 0.00 0.00 +ATOM 12024 H2 WAT X3312 24.817 38.525 48.506 0.00 0.00 +ATOM 12025 O WAT X3313 34.763 20.586 2.503 0.00 0.00 +ATOM 12026 H1 WAT X3313 35.300 19.816 2.319 0.00 0.00 +ATOM 12027 H2 WAT X3313 34.104 20.275 3.125 0.00 0.00 +ATOM 12028 O WAT X3314 31.415 40.274 55.876 0.00 0.00 +ATOM 12029 H1 WAT X3314 30.912 39.968 56.631 0.00 0.00 +ATOM 12030 H2 WAT X3314 30.754 40.577 55.254 0.00 0.00 +ATOM 12031 O WAT X3315 21.878 38.092 43.558 0.00 0.00 +ATOM 12032 H1 WAT X3315 21.117 38.256 44.115 0.00 0.00 +ATOM 12033 H2 WAT X3315 22.520 37.689 44.143 0.00 0.00 +ATOM 12034 O WAT X3316 62.852 19.226 55.955 0.00 0.00 +ATOM 12035 H1 WAT X3316 63.796 19.076 55.899 0.00 0.00 +ATOM 12036 H2 WAT X3316 62.715 20.059 55.505 0.00 0.00 +ATOM 12037 O WAT X3317 59.484 5.469 25.337 0.00 0.00 +ATOM 12038 H1 WAT X3317 59.400 5.234 24.412 0.00 0.00 +ATOM 12039 H2 WAT X3317 58.582 5.570 25.641 0.00 0.00 +ATOM 12040 O WAT X3318 53.020 40.206 2.527 0.00 0.00 +ATOM 12041 H1 WAT X3318 53.211 39.567 3.213 0.00 0.00 +ATOM 12042 H2 WAT X3318 53.753 40.821 2.560 0.00 0.00 +ATOM 12043 O WAT X3319 27.493 61.538 28.148 0.00 0.00 +ATOM 12044 H1 WAT X3319 27.583 61.334 29.079 0.00 0.00 +ATOM 12045 H2 WAT X3319 28.380 61.758 27.864 0.00 0.00 +ATOM 12046 O WAT X3320 60.705 20.171 20.629 0.00 0.00 +ATOM 12047 H1 WAT X3320 61.131 19.377 20.953 0.00 0.00 +ATOM 12048 H2 WAT X3320 60.783 20.796 21.351 0.00 0.00 +ATOM 12049 O WAT X3321 38.397 35.205 46.696 0.00 0.00 +ATOM 12050 H1 WAT X3321 37.846 35.983 46.613 0.00 0.00 +ATOM 12051 H2 WAT X3321 39.149 35.383 46.132 0.00 0.00 +ATOM 12052 O WAT X3322 42.198 57.750 41.050 0.00 0.00 +ATOM 12053 H1 WAT X3322 42.404 57.632 40.122 0.00 0.00 +ATOM 12054 H2 WAT X3322 42.515 56.950 41.469 0.00 0.00 +ATOM 12055 O WAT X3323 66.413 57.876 12.587 0.00 0.00 +ATOM 12056 H1 WAT X3323 65.618 57.806 13.115 0.00 0.00 +ATOM 12057 H2 WAT X3323 67.101 57.503 13.138 0.00 0.00 +ATOM 12058 O WAT X3324 50.847 27.894 56.032 0.00 0.00 +ATOM 12059 H1 WAT X3324 51.060 27.445 56.851 0.00 0.00 +ATOM 12060 H2 WAT X3324 50.592 27.192 55.434 0.00 0.00 +ATOM 12061 O WAT X3325 42.623 24.648 24.656 0.00 0.00 +ATOM 12062 H1 WAT X3325 43.465 24.927 25.016 0.00 0.00 +ATOM 12063 H2 WAT X3325 42.662 24.899 23.733 0.00 0.00 +ATOM 12064 O WAT X3326 49.295 53.258 45.843 0.00 0.00 +ATOM 12065 H1 WAT X3326 49.602 53.015 46.717 0.00 0.00 +ATOM 12066 H2 WAT X3326 48.345 53.333 45.936 0.00 0.00 +ATOM 12067 O WAT X3327 67.305 8.117 12.582 0.00 0.00 +ATOM 12068 H1 WAT X3327 68.008 8.042 11.936 0.00 0.00 +ATOM 12069 H2 WAT X3327 66.786 7.321 12.464 0.00 0.00 +ATOM 12070 O WAT X3328 67.936 51.418 26.357 0.00 0.00 +ATOM 12071 H1 WAT X3328 68.061 52.125 26.991 0.00 0.00 +ATOM 12072 H2 WAT X3328 67.331 51.781 25.710 0.00 0.00 +ATOM 12073 O WAT X3329 59.339 11.742 31.913 0.00 0.00 +ATOM 12074 H1 WAT X3329 59.788 10.911 32.067 0.00 0.00 +ATOM 12075 H2 WAT X3329 59.188 11.761 30.968 0.00 0.00 +ATOM 12076 O WAT X3330 46.870 60.480 23.756 0.00 0.00 +ATOM 12077 H1 WAT X3330 45.983 60.740 23.506 0.00 0.00 +ATOM 12078 H2 WAT X3330 47.337 60.393 22.925 0.00 0.00 +ATOM 12079 O WAT X3331 64.201 46.963 16.210 0.00 0.00 +ATOM 12080 H1 WAT X3331 63.248 46.889 16.176 0.00 0.00 +ATOM 12081 H2 WAT X3331 64.380 47.869 15.960 0.00 0.00 +ATOM 12082 O WAT X3332 26.194 13.837 24.024 0.00 0.00 +ATOM 12083 H1 WAT X3332 26.224 12.922 24.303 0.00 0.00 +ATOM 12084 H2 WAT X3332 25.737 14.289 24.732 0.00 0.00 +ATOM 12085 O WAT X3333 5.682 48.766 19.462 0.00 0.00 +ATOM 12086 H1 WAT X3333 5.644 48.185 20.222 0.00 0.00 +ATOM 12087 H2 WAT X3333 6.409 49.359 19.650 0.00 0.00 +ATOM 12088 O WAT X3334 5.554 30.399 39.234 0.00 0.00 +ATOM 12089 H1 WAT X3334 4.912 29.703 39.372 0.00 0.00 +ATOM 12090 H2 WAT X3334 5.663 30.440 38.284 0.00 0.00 +ATOM 12091 O WAT X3335 65.947 18.513 20.010 0.00 0.00 +ATOM 12092 H1 WAT X3335 65.182 18.128 19.582 0.00 0.00 +ATOM 12093 H2 WAT X3335 66.695 18.110 19.570 0.00 0.00 +ATOM 12094 O WAT X3336 6.952 7.855 39.557 0.00 0.00 +ATOM 12095 H1 WAT X3336 6.710 6.945 39.730 0.00 0.00 +ATOM 12096 H2 WAT X3336 6.303 8.159 38.922 0.00 0.00 +ATOM 12097 O WAT X3337 44.116 50.348 18.036 0.00 0.00 +ATOM 12098 H1 WAT X3337 44.374 50.392 17.116 0.00 0.00 +ATOM 12099 H2 WAT X3337 44.806 50.821 18.502 0.00 0.00 +ATOM 12100 O WAT X3338 61.104 24.950 5.513 0.00 0.00 +ATOM 12101 H1 WAT X3338 61.356 25.296 4.657 0.00 0.00 +ATOM 12102 H2 WAT X3338 60.729 24.090 5.322 0.00 0.00 +ATOM 12103 O WAT X3339 72.254 8.772 50.784 0.00 0.00 +ATOM 12104 H1 WAT X3339 72.714 8.457 50.005 0.00 0.00 +ATOM 12105 H2 WAT X3339 72.095 9.699 50.609 0.00 0.00 +ATOM 12106 O WAT X3340 64.212 13.287 23.192 0.00 0.00 +ATOM 12107 H1 WAT X3340 63.326 13.348 22.833 0.00 0.00 +ATOM 12108 H2 WAT X3340 64.284 12.383 23.499 0.00 0.00 +ATOM 12109 O WAT X3341 8.349 24.720 32.868 0.00 0.00 +ATOM 12110 H1 WAT X3341 9.166 25.207 32.978 0.00 0.00 +ATOM 12111 H2 WAT X3341 8.279 24.189 33.662 0.00 0.00 +ATOM 12112 O WAT X3342 2.390 8.422 54.062 0.00 0.00 +ATOM 12113 H1 WAT X3342 1.561 8.762 53.724 0.00 0.00 +ATOM 12114 H2 WAT X3342 2.454 7.540 53.698 0.00 0.00 +ATOM 12115 O WAT X3343 63.044 10.112 30.299 0.00 0.00 +ATOM 12116 H1 WAT X3343 63.800 10.636 30.034 0.00 0.00 +ATOM 12117 H2 WAT X3343 63.375 9.214 30.333 0.00 0.00 +ATOM 12118 O WAT X3344 16.575 27.093 0.232 0.00 0.00 +ATOM 12119 H1 WAT X3344 17.473 27.016 0.557 0.00 0.00 +ATOM 12120 H2 WAT X3344 16.051 26.595 0.859 0.00 0.00 +ATOM 12121 O WAT X3345 12.397 54.526 48.692 0.00 0.00 +ATOM 12122 H1 WAT X3345 12.900 53.803 48.318 0.00 0.00 +ATOM 12123 H2 WAT X3345 12.911 54.808 49.449 0.00 0.00 +ATOM 12124 O WAT X3346 57.557 4.421 56.198 0.00 0.00 +ATOM 12125 H1 WAT X3346 58.217 5.092 56.374 0.00 0.00 +ATOM 12126 H2 WAT X3346 57.999 3.797 55.621 0.00 0.00 +ATOM 12127 O WAT X3347 67.709 43.788 39.879 0.00 0.00 +ATOM 12128 H1 WAT X3347 68.210 43.707 40.690 0.00 0.00 +ATOM 12129 H2 WAT X3347 66.888 43.331 40.058 0.00 0.00 +ATOM 12130 O WAT X3348 16.310 57.508 14.239 0.00 0.00 +ATOM 12131 H1 WAT X3348 16.702 57.901 15.019 0.00 0.00 +ATOM 12132 H2 WAT X3348 15.452 57.199 14.531 0.00 0.00 +ATOM 12133 O WAT X3349 47.259 1.325 54.665 0.00 0.00 +ATOM 12134 H1 WAT X3349 46.966 0.678 54.024 0.00 0.00 +ATOM 12135 H2 WAT X3349 46.719 1.160 55.438 0.00 0.00 +ATOM 12136 O WAT X3350 60.977 14.660 35.161 0.00 0.00 +ATOM 12137 H1 WAT X3350 61.024 14.672 36.117 0.00 0.00 +ATOM 12138 H2 WAT X3350 60.500 13.857 34.954 0.00 0.00 +ATOM 12139 O WAT X3351 41.073 17.824 30.895 0.00 0.00 +ATOM 12140 H1 WAT X3351 40.422 18.515 31.013 0.00 0.00 +ATOM 12141 H2 WAT X3351 41.914 18.280 30.925 0.00 0.00 +ATOM 12142 O WAT X3352 45.510 40.191 56.163 0.00 0.00 +ATOM 12143 H1 WAT X3352 45.986 40.238 55.334 0.00 0.00 +ATOM 12144 H2 WAT X3352 46.066 40.661 56.785 0.00 0.00 +ATOM 12145 O WAT X3353 21.161 43.187 46.072 0.00 0.00 +ATOM 12146 H1 WAT X3353 20.438 43.583 45.584 0.00 0.00 +ATOM 12147 H2 WAT X3353 20.761 42.879 46.885 0.00 0.00 +ATOM 12148 O WAT X3354 14.788 52.974 55.112 0.00 0.00 +ATOM 12149 H1 WAT X3354 14.239 53.456 55.731 0.00 0.00 +ATOM 12150 H2 WAT X3354 15.655 53.371 55.202 0.00 0.00 +ATOM 12151 O WAT X3355 31.262 22.633 23.537 0.00 0.00 +ATOM 12152 H1 WAT X3355 30.571 23.263 23.330 0.00 0.00 +ATOM 12153 H2 WAT X3355 30.804 21.798 23.631 0.00 0.00 +ATOM 12154 O WAT X3356 46.737 47.873 5.966 0.00 0.00 +ATOM 12155 H1 WAT X3356 47.240 48.617 5.636 0.00 0.00 +ATOM 12156 H2 WAT X3356 46.564 47.338 5.191 0.00 0.00 +ATOM 12157 O WAT X3357 22.129 41.068 43.119 0.00 0.00 +ATOM 12158 H1 WAT X3357 21.428 41.543 43.567 0.00 0.00 +ATOM 12159 H2 WAT X3357 22.096 40.187 43.491 0.00 0.00 +ATOM 12160 O WAT X3358 46.719 8.550 13.033 0.00 0.00 +ATOM 12161 H1 WAT X3358 46.544 7.661 13.344 0.00 0.00 +ATOM 12162 H2 WAT X3358 46.916 8.443 12.102 0.00 0.00 +ATOM 12163 O WAT X3359 6.302 34.674 58.354 0.00 0.00 +ATOM 12164 H1 WAT X3359 6.674 33.995 57.791 0.00 0.00 +ATOM 12165 H2 WAT X3359 6.999 34.873 58.980 0.00 0.00 +ATOM 12166 O WAT X3360 7.960 38.272 50.027 0.00 0.00 +ATOM 12167 H1 WAT X3360 7.878 38.410 50.970 0.00 0.00 +ATOM 12168 H2 WAT X3360 7.222 38.750 49.650 0.00 0.00 +ATOM 12169 O WAT X3361 46.843 47.046 30.859 0.00 0.00 +ATOM 12170 H1 WAT X3361 47.508 46.505 30.433 0.00 0.00 +ATOM 12171 H2 WAT X3361 46.064 46.492 30.887 0.00 0.00 +ATOM 12172 O WAT X3362 68.917 25.004 45.432 0.00 0.00 +ATOM 12173 H1 WAT X3362 68.006 25.202 45.215 0.00 0.00 +ATOM 12174 H2 WAT X3362 69.391 25.813 45.238 0.00 0.00 +ATOM 12175 O WAT X3363 20.146 9.648 5.167 0.00 0.00 +ATOM 12176 H1 WAT X3363 19.899 10.339 5.783 0.00 0.00 +ATOM 12177 H2 WAT X3363 20.724 9.075 5.670 0.00 0.00 +ATOM 12178 O WAT X3364 5.808 12.515 38.019 0.00 0.00 +ATOM 12179 H1 WAT X3364 5.776 13.465 37.912 0.00 0.00 +ATOM 12180 H2 WAT X3364 6.682 12.342 38.369 0.00 0.00 +ATOM 12181 O WAT X3365 71.007 11.475 20.472 0.00 0.00 +ATOM 12182 H1 WAT X3365 70.263 11.706 21.028 0.00 0.00 +ATOM 12183 H2 WAT X3365 71.774 11.617 21.026 0.00 0.00 +ATOM 12184 O WAT X3366 8.840 29.468 54.510 0.00 0.00 +ATOM 12185 H1 WAT X3366 9.566 28.946 54.851 0.00 0.00 +ATOM 12186 H2 WAT X3366 8.310 28.845 54.012 0.00 0.00 +ATOM 12187 O WAT X3367 32.981 22.865 7.766 0.00 0.00 +ATOM 12188 H1 WAT X3367 33.174 21.974 7.475 0.00 0.00 +ATOM 12189 H2 WAT X3367 33.730 23.107 8.310 0.00 0.00 +ATOM 12190 O WAT X3368 48.387 57.143 11.312 0.00 0.00 +ATOM 12191 H1 WAT X3368 47.897 56.501 10.798 0.00 0.00 +ATOM 12192 H2 WAT X3368 47.717 57.728 11.667 0.00 0.00 +ATOM 12193 O WAT X3369 73.594 50.354 22.446 0.00 0.00 +ATOM 12194 H1 WAT X3369 74.323 50.889 22.135 0.00 0.00 +ATOM 12195 H2 WAT X3369 73.278 49.901 21.664 0.00 0.00 +ATOM 12196 O WAT X3370 45.100 48.434 27.983 0.00 0.00 +ATOM 12197 H1 WAT X3370 45.568 47.608 28.099 0.00 0.00 +ATOM 12198 H2 WAT X3370 45.624 48.920 27.347 0.00 0.00 +ATOM 12199 O WAT X3371 15.364 18.097 1.605 0.00 0.00 +ATOM 12200 H1 WAT X3371 15.960 17.451 1.986 0.00 0.00 +ATOM 12201 H2 WAT X3371 15.854 18.919 1.631 0.00 0.00 +ATOM 12202 O WAT X3372 56.745 12.716 39.591 0.00 0.00 +ATOM 12203 H1 WAT X3372 56.121 11.991 39.604 0.00 0.00 +ATOM 12204 H2 WAT X3372 56.200 13.502 39.615 0.00 0.00 +ATOM 12205 O WAT X3373 68.916 60.624 32.603 0.00 0.00 +ATOM 12206 H1 WAT X3373 69.117 59.703 32.435 0.00 0.00 +ATOM 12207 H2 WAT X3373 68.567 60.634 33.494 0.00 0.00 +ATOM 12208 O WAT X3374 60.297 56.500 25.931 0.00 0.00 +ATOM 12209 H1 WAT X3374 59.526 57.064 25.986 0.00 0.00 +ATOM 12210 H2 WAT X3374 60.530 56.503 25.002 0.00 0.00 +ATOM 12211 O WAT X3375 8.585 15.722 35.426 0.00 0.00 +ATOM 12212 H1 WAT X3375 9.175 16.001 34.725 0.00 0.00 +ATOM 12213 H2 WAT X3375 8.141 14.951 35.072 0.00 0.00 +ATOM 12214 O WAT X3376 35.607 6.446 47.421 0.00 0.00 +ATOM 12215 H1 WAT X3376 35.593 6.780 48.318 0.00 0.00 +ATOM 12216 H2 WAT X3376 36.412 5.930 47.371 0.00 0.00 +ATOM 12217 O WAT X3377 11.116 62.811 16.486 0.00 0.00 +ATOM 12218 H1 WAT X3377 10.674 62.009 16.764 0.00 0.00 +ATOM 12219 H2 WAT X3377 11.650 63.064 17.239 0.00 0.00 +ATOM 12220 O WAT X3378 68.703 55.670 45.884 0.00 0.00 +ATOM 12221 H1 WAT X3378 68.582 56.000 46.775 0.00 0.00 +ATOM 12222 H2 WAT X3378 69.080 54.798 46.001 0.00 0.00 +ATOM 12223 O WAT X3379 28.498 50.786 37.738 0.00 0.00 +ATOM 12224 H1 WAT X3379 28.437 51.058 38.654 0.00 0.00 +ATOM 12225 H2 WAT X3379 28.348 51.589 37.239 0.00 0.00 +ATOM 12226 O WAT X3380 72.719 13.165 55.780 0.00 0.00 +ATOM 12227 H1 WAT X3380 72.132 13.649 56.362 0.00 0.00 +ATOM 12228 H2 WAT X3380 72.761 12.287 56.158 0.00 0.00 +ATOM 12229 O WAT X3381 58.031 23.669 2.637 0.00 0.00 +ATOM 12230 H1 WAT X3381 57.866 24.403 3.229 0.00 0.00 +ATOM 12231 H2 WAT X3381 57.186 23.503 2.220 0.00 0.00 +ATOM 12232 O WAT X3382 21.640 0.969 3.407 0.00 0.00 +ATOM 12233 H1 WAT X3382 21.687 1.113 2.462 0.00 0.00 +ATOM 12234 H2 WAT X3382 22.341 0.344 3.589 0.00 0.00 +ATOM 12235 O WAT X3383 4.088 8.104 40.793 0.00 0.00 +ATOM 12236 H1 WAT X3383 3.206 8.387 41.034 0.00 0.00 +ATOM 12237 H2 WAT X3383 4.525 7.945 41.630 0.00 0.00 +ATOM 12238 O WAT X3384 3.978 11.536 2.319 0.00 0.00 +ATOM 12239 H1 WAT X3384 3.307 11.539 1.636 0.00 0.00 +ATOM 12240 H2 WAT X3384 3.766 12.291 2.867 0.00 0.00 +ATOM 12241 O WAT X3385 13.352 39.438 4.642 0.00 0.00 +ATOM 12242 H1 WAT X3385 13.315 38.618 4.150 0.00 0.00 +ATOM 12243 H2 WAT X3385 13.593 40.097 3.991 0.00 0.00 +ATOM 12244 O WAT X3386 41.031 29.867 17.762 0.00 0.00 +ATOM 12245 H1 WAT X3386 40.614 30.706 17.957 0.00 0.00 +ATOM 12246 H2 WAT X3386 40.572 29.237 18.318 0.00 0.00 +ATOM 12247 O WAT X3387 74.934 27.177 23.141 0.00 0.00 +ATOM 12248 H1 WAT X3387 75.523 26.786 22.496 0.00 0.00 +ATOM 12249 H2 WAT X3387 75.229 28.084 23.216 0.00 0.00 +ATOM 12250 O WAT X3388 66.354 53.267 20.234 0.00 0.00 +ATOM 12251 H1 WAT X3388 66.798 53.655 19.480 0.00 0.00 +ATOM 12252 H2 WAT X3388 66.230 52.349 19.993 0.00 0.00 +ATOM 12253 O WAT X3389 50.026 13.101 28.435 0.00 0.00 +ATOM 12254 H1 WAT X3389 50.874 13.434 28.728 0.00 0.00 +ATOM 12255 H2 WAT X3389 49.996 13.311 27.501 0.00 0.00 +ATOM 12256 O WAT X3390 49.227 12.006 43.794 0.00 0.00 +ATOM 12257 H1 WAT X3390 49.225 11.184 43.305 0.00 0.00 +ATOM 12258 H2 WAT X3390 48.605 11.863 44.507 0.00 0.00 +ATOM 12259 O WAT X3391 62.140 55.953 58.500 0.00 0.00 +ATOM 12260 H1 WAT X3391 62.381 55.089 58.166 0.00 0.00 +ATOM 12261 H2 WAT X3391 62.894 56.507 58.299 0.00 0.00 +ATOM 12262 O WAT X3392 34.055 27.151 7.610 0.00 0.00 +ATOM 12263 H1 WAT X3392 33.287 26.868 7.114 0.00 0.00 +ATOM 12264 H2 WAT X3392 34.797 26.770 7.141 0.00 0.00 +ATOM 12265 O WAT X3393 31.730 13.820 3.921 0.00 0.00 +ATOM 12266 H1 WAT X3393 32.586 13.872 4.347 0.00 0.00 +ATOM 12267 H2 WAT X3393 31.555 12.882 3.850 0.00 0.00 +ATOM 12268 O WAT X3394 42.935 46.347 18.264 0.00 0.00 +ATOM 12269 H1 WAT X3394 43.144 46.990 17.587 0.00 0.00 +ATOM 12270 H2 WAT X3394 42.236 46.756 18.775 0.00 0.00 +ATOM 12271 O WAT X3395 72.276 9.167 47.218 0.00 0.00 +ATOM 12272 H1 WAT X3395 71.374 9.078 47.527 0.00 0.00 +ATOM 12273 H2 WAT X3395 72.407 10.112 47.135 0.00 0.00 +ATOM 12274 O WAT X3396 75.039 5.579 30.843 0.00 0.00 +ATOM 12275 H1 WAT X3396 75.736 6.112 30.463 0.00 0.00 +ATOM 12276 H2 WAT X3396 74.242 5.878 30.405 0.00 0.00 +ATOM 12277 O WAT X3397 43.043 5.154 37.343 0.00 0.00 +ATOM 12278 H1 WAT X3397 43.889 4.771 37.110 0.00 0.00 +ATOM 12279 H2 WAT X3397 42.410 4.683 36.802 0.00 0.00 +ATOM 12280 O WAT X3398 34.080 7.964 29.071 0.00 0.00 +ATOM 12281 H1 WAT X3398 34.107 7.719 29.996 0.00 0.00 +ATOM 12282 H2 WAT X3398 34.619 7.306 28.633 0.00 0.00 +ATOM 12283 O WAT X3399 50.632 51.810 15.503 0.00 0.00 +ATOM 12284 H1 WAT X3399 51.410 51.336 15.797 0.00 0.00 +ATOM 12285 H2 WAT X3399 49.903 51.224 15.704 0.00 0.00 +ATOM 12286 O WAT X3400 50.511 14.590 36.467 0.00 0.00 +ATOM 12287 H1 WAT X3400 49.596 14.468 36.722 0.00 0.00 +ATOM 12288 H2 WAT X3400 50.667 13.916 35.805 0.00 0.00 +ATOM 12289 O WAT X3401 71.500 47.050 46.735 0.00 0.00 +ATOM 12290 H1 WAT X3401 72.276 46.727 47.193 0.00 0.00 +ATOM 12291 H2 WAT X3401 70.821 47.084 47.409 0.00 0.00 +ATOM 12292 O WAT X3402 42.562 2.920 21.204 0.00 0.00 +ATOM 12293 H1 WAT X3402 42.716 3.483 20.445 0.00 0.00 +ATOM 12294 H2 WAT X3402 41.858 3.354 21.686 0.00 0.00 +ATOM 12295 O WAT X3403 53.774 52.955 49.334 0.00 0.00 +ATOM 12296 H1 WAT X3403 54.264 52.372 48.755 0.00 0.00 +ATOM 12297 H2 WAT X3403 53.159 53.407 48.756 0.00 0.00 +ATOM 12298 O WAT X3404 2.616 49.826 56.810 0.00 0.00 +ATOM 12299 H1 WAT X3404 3.254 49.692 57.511 0.00 0.00 +ATOM 12300 H2 WAT X3404 3.091 50.326 56.147 0.00 0.00 +ATOM 12301 O WAT X3405 58.002 19.338 12.231 0.00 0.00 +ATOM 12302 H1 WAT X3405 58.118 19.654 11.335 0.00 0.00 +ATOM 12303 H2 WAT X3405 58.761 19.679 12.705 0.00 0.00 +ATOM 12304 O WAT X3406 52.580 13.312 37.614 0.00 0.00 +ATOM 12305 H1 WAT X3406 52.038 13.856 37.043 0.00 0.00 +ATOM 12306 H2 WAT X3406 52.013 13.108 38.358 0.00 0.00 +ATOM 12307 O WAT X3407 72.380 59.072 40.057 0.00 0.00 +ATOM 12308 H1 WAT X3407 72.528 59.255 39.130 0.00 0.00 +ATOM 12309 H2 WAT X3407 72.446 58.119 40.126 0.00 0.00 +ATOM 12310 O WAT X3408 58.168 46.574 44.774 0.00 0.00 +ATOM 12311 H1 WAT X3408 57.757 46.334 45.605 0.00 0.00 +ATOM 12312 H2 WAT X3408 59.104 46.441 44.922 0.00 0.00 +ATOM 12313 O WAT X3409 40.598 48.889 31.878 0.00 0.00 +ATOM 12314 H1 WAT X3409 41.139 48.617 31.137 0.00 0.00 +ATOM 12315 H2 WAT X3409 40.344 49.789 31.672 0.00 0.00 +ATOM 12316 O WAT X3410 64.513 55.349 54.380 0.00 0.00 +ATOM 12317 H1 WAT X3410 64.579 55.596 53.458 0.00 0.00 +ATOM 12318 H2 WAT X3410 63.818 55.908 54.728 0.00 0.00 +ATOM 12319 O WAT X3411 53.134 26.453 24.936 0.00 0.00 +ATOM 12320 H1 WAT X3411 52.497 26.072 25.541 0.00 0.00 +ATOM 12321 H2 WAT X3411 53.284 27.337 25.272 0.00 0.00 +ATOM 12322 O WAT X3412 69.712 41.692 10.435 0.00 0.00 +ATOM 12323 H1 WAT X3412 68.803 41.395 10.468 0.00 0.00 +ATOM 12324 H2 WAT X3412 69.678 42.516 9.949 0.00 0.00 +ATOM 12325 O WAT X3413 63.716 25.799 48.758 0.00 0.00 +ATOM 12326 H1 WAT X3413 62.938 25.354 48.423 0.00 0.00 +ATOM 12327 H2 WAT X3413 63.546 25.907 49.693 0.00 0.00 +ATOM 12328 O WAT X3414 15.170 53.177 24.070 0.00 0.00 +ATOM 12329 H1 WAT X3414 14.236 53.383 24.118 0.00 0.00 +ATOM 12330 H2 WAT X3414 15.443 53.091 24.984 0.00 0.00 +ATOM 12331 O WAT X3415 1.174 60.571 47.441 0.00 0.00 +ATOM 12332 H1 WAT X3415 0.978 61.488 47.250 0.00 0.00 +ATOM 12333 H2 WAT X3415 1.611 60.250 46.652 0.00 0.00 +ATOM 12334 O WAT X3416 53.599 16.759 5.766 0.00 0.00 +ATOM 12335 H1 WAT X3416 54.513 16.909 6.010 0.00 0.00 +ATOM 12336 H2 WAT X3416 53.586 15.865 5.426 0.00 0.00 +ATOM 12337 O WAT X3417 32.424 37.058 42.315 0.00 0.00 +ATOM 12338 H1 WAT X3417 31.710 37.072 41.679 0.00 0.00 +ATOM 12339 H2 WAT X3417 32.445 37.946 42.672 0.00 0.00 +ATOM 12340 O WAT X3418 52.274 0.860 54.339 0.00 0.00 +ATOM 12341 H1 WAT X3418 53.229 0.861 54.398 0.00 0.00 +ATOM 12342 H2 WAT X3418 52.029 -0.062 54.423 0.00 0.00 +ATOM 12343 O WAT X3419 62.698 45.142 53.122 0.00 0.00 +ATOM 12344 H1 WAT X3419 62.047 44.444 53.052 0.00 0.00 +ATOM 12345 H2 WAT X3419 62.686 45.388 54.048 0.00 0.00 +ATOM 12346 O WAT X3420 68.138 0.513 2.484 0.00 0.00 +ATOM 12347 H1 WAT X3420 67.832 -0.216 3.023 0.00 0.00 +ATOM 12348 H2 WAT X3420 68.685 1.033 3.074 0.00 0.00 +ATOM 12349 O WAT X3421 52.498 20.191 55.358 0.00 0.00 +ATOM 12350 H1 WAT X3421 53.323 19.723 55.226 0.00 0.00 +ATOM 12351 H2 WAT X3421 52.167 19.861 56.193 0.00 0.00 +ATOM 12352 O WAT X3422 73.313 17.188 8.215 0.00 0.00 +ATOM 12353 H1 WAT X3422 73.240 17.743 8.991 0.00 0.00 +ATOM 12354 H2 WAT X3422 72.615 16.541 8.316 0.00 0.00 +ATOM 12355 O WAT X3423 37.794 14.385 4.553 0.00 0.00 +ATOM 12356 H1 WAT X3423 37.134 15.075 4.626 0.00 0.00 +ATOM 12357 H2 WAT X3423 38.509 14.676 5.119 0.00 0.00 +ATOM 12358 O WAT X3424 30.489 8.873 30.976 0.00 0.00 +ATOM 12359 H1 WAT X3424 30.498 9.360 31.800 0.00 0.00 +ATOM 12360 H2 WAT X3424 30.780 9.507 30.321 0.00 0.00 +ATOM 12361 O WAT X3425 23.460 5.197 44.611 0.00 0.00 +ATOM 12362 H1 WAT X3425 23.102 4.442 44.145 0.00 0.00 +ATOM 12363 H2 WAT X3425 24.190 4.841 45.118 0.00 0.00 +ATOM 12364 O WAT X3426 2.632 37.074 21.021 0.00 0.00 +ATOM 12365 H1 WAT X3426 2.023 37.788 21.212 0.00 0.00 +ATOM 12366 H2 WAT X3426 2.651 37.025 20.065 0.00 0.00 +ATOM 12367 O WAT X3427 9.708 28.272 16.223 0.00 0.00 +ATOM 12368 H1 WAT X3427 9.677 27.930 17.116 0.00 0.00 +ATOM 12369 H2 WAT X3427 10.173 27.599 15.726 0.00 0.00 +ATOM 12370 O WAT X3428 49.704 9.017 54.877 0.00 0.00 +ATOM 12371 H1 WAT X3428 49.658 8.835 53.938 0.00 0.00 +ATOM 12372 H2 WAT X3428 49.583 8.163 55.292 0.00 0.00 +ATOM 12373 O WAT X3429 25.727 4.401 42.185 0.00 0.00 +ATOM 12374 H1 WAT X3429 25.496 5.327 42.255 0.00 0.00 +ATOM 12375 H2 WAT X3429 26.639 4.360 42.473 0.00 0.00 +ATOM 12376 O WAT X3430 39.949 61.514 45.147 0.00 0.00 +ATOM 12377 H1 WAT X3430 40.383 60.682 44.956 0.00 0.00 +ATOM 12378 H2 WAT X3430 39.558 61.387 46.011 0.00 0.00 +ATOM 12379 O WAT X3431 33.254 10.525 32.326 0.00 0.00 +ATOM 12380 H1 WAT X3431 34.178 10.672 32.122 0.00 0.00 +ATOM 12381 H2 WAT X3431 33.239 9.675 32.767 0.00 0.00 +ATOM 12382 O WAT X3432 47.619 47.468 14.079 0.00 0.00 +ATOM 12383 H1 WAT X3432 47.049 47.263 13.337 0.00 0.00 +ATOM 12384 H2 WAT X3432 47.975 48.333 13.875 0.00 0.00 +ATOM 12385 O WAT X3433 66.306 58.671 21.077 0.00 0.00 +ATOM 12386 H1 WAT X3433 66.688 59.480 21.416 0.00 0.00 +ATOM 12387 H2 WAT X3433 65.971 58.221 21.853 0.00 0.00 +ATOM 12388 O WAT X3434 63.238 31.715 39.373 0.00 0.00 +ATOM 12389 H1 WAT X3434 62.615 32.417 39.557 0.00 0.00 +ATOM 12390 H2 WAT X3434 64.063 32.022 39.748 0.00 0.00 +ATOM 12391 O WAT X3435 68.145 37.683 55.027 0.00 0.00 +ATOM 12392 H1 WAT X3435 67.311 37.240 55.183 0.00 0.00 +ATOM 12393 H2 WAT X3435 68.682 37.457 55.787 0.00 0.00 +ATOM 12394 O WAT X3436 43.341 5.589 6.552 0.00 0.00 +ATOM 12395 H1 WAT X3436 43.644 6.317 7.094 0.00 0.00 +ATOM 12396 H2 WAT X3436 43.477 4.813 7.095 0.00 0.00 +ATOM 12397 O WAT X3437 32.308 7.786 16.456 0.00 0.00 +ATOM 12398 H1 WAT X3437 32.064 8.327 15.705 0.00 0.00 +ATOM 12399 H2 WAT X3437 32.747 8.391 17.055 0.00 0.00 +ATOM 12400 O WAT X3438 39.308 14.493 39.498 0.00 0.00 +ATOM 12401 H1 WAT X3438 39.355 15.253 38.917 0.00 0.00 +ATOM 12402 H2 WAT X3438 38.386 14.441 39.750 0.00 0.00 +ATOM 12403 O WAT X3439 24.844 19.315 17.389 0.00 0.00 +ATOM 12404 H1 WAT X3439 25.527 19.959 17.204 0.00 0.00 +ATOM 12405 H2 WAT X3439 24.124 19.555 16.805 0.00 0.00 +ATOM 12406 O WAT X3440 53.542 34.144 52.208 0.00 0.00 +ATOM 12407 H1 WAT X3440 53.906 34.852 52.739 0.00 0.00 +ATOM 12408 H2 WAT X3440 54.226 33.475 52.198 0.00 0.00 +ATOM 12409 O WAT X3441 76.080 27.733 39.563 0.00 0.00 +ATOM 12410 H1 WAT X3441 75.313 28.266 39.351 0.00 0.00 +ATOM 12411 H2 WAT X3441 75.720 26.954 39.987 0.00 0.00 +ATOM 12412 O WAT X3442 54.057 34.982 14.311 0.00 0.00 +ATOM 12413 H1 WAT X3442 53.614 35.825 14.416 0.00 0.00 +ATOM 12414 H2 WAT X3442 53.511 34.500 13.690 0.00 0.00 +ATOM 12415 O WAT X3443 37.382 55.891 57.114 0.00 0.00 +ATOM 12416 H1 WAT X3443 38.053 55.260 57.375 0.00 0.00 +ATOM 12417 H2 WAT X3443 36.810 55.963 57.878 0.00 0.00 +ATOM 12418 O WAT X3444 33.596 15.554 21.147 0.00 0.00 +ATOM 12419 H1 WAT X3444 34.182 16.186 20.729 0.00 0.00 +ATOM 12420 H2 WAT X3444 32.921 16.092 21.560 0.00 0.00 +ATOM 12421 O WAT X3445 59.571 42.377 4.855 0.00 0.00 +ATOM 12422 H1 WAT X3445 59.199 42.004 4.056 0.00 0.00 +ATOM 12423 H2 WAT X3445 59.641 43.314 4.671 0.00 0.00 +ATOM 12424 O WAT X3446 14.088 2.248 22.493 0.00 0.00 +ATOM 12425 H1 WAT X3446 13.670 3.105 22.580 0.00 0.00 +ATOM 12426 H2 WAT X3446 14.537 2.115 23.328 0.00 0.00 +ATOM 12427 O WAT X3447 48.739 9.095 46.554 0.00 0.00 +ATOM 12428 H1 WAT X3447 48.458 8.650 47.354 0.00 0.00 +ATOM 12429 H2 WAT X3447 48.062 8.882 45.912 0.00 0.00 +ATOM 12430 O WAT X3448 55.506 63.132 39.186 0.00 0.00 +ATOM 12431 H1 WAT X3448 55.119 62.327 39.531 0.00 0.00 +ATOM 12432 H2 WAT X3448 55.563 62.984 38.242 0.00 0.00 +ATOM 12433 O WAT X3449 4.169 57.517 41.084 0.00 0.00 +ATOM 12434 H1 WAT X3449 4.229 57.844 41.982 0.00 0.00 +ATOM 12435 H2 WAT X3449 4.902 56.906 41.003 0.00 0.00 +ATOM 12436 O WAT X3450 52.442 22.941 56.805 0.00 0.00 +ATOM 12437 H1 WAT X3450 52.696 23.275 55.945 0.00 0.00 +ATOM 12438 H2 WAT X3450 52.979 22.158 56.926 0.00 0.00 +ATOM 12439 O WAT X3451 28.826 58.174 15.636 0.00 0.00 +ATOM 12440 H1 WAT X3451 29.356 57.800 16.339 0.00 0.00 +ATOM 12441 H2 WAT X3451 29.292 58.971 15.382 0.00 0.00 +ATOM 12442 O WAT X3452 64.189 50.675 32.342 0.00 0.00 +ATOM 12443 H1 WAT X3452 64.674 49.854 32.426 0.00 0.00 +ATOM 12444 H2 WAT X3452 64.857 51.357 32.419 0.00 0.00 +ATOM 12445 O WAT X3453 6.128 42.094 2.897 0.00 0.00 +ATOM 12446 H1 WAT X3453 5.675 41.261 3.027 0.00 0.00 +ATOM 12447 H2 WAT X3453 6.752 41.918 2.193 0.00 0.00 +ATOM 12448 O WAT X3454 57.364 30.136 46.351 0.00 0.00 +ATOM 12449 H1 WAT X3454 56.956 30.965 46.101 0.00 0.00 +ATOM 12450 H2 WAT X3454 57.235 29.566 45.593 0.00 0.00 +ATOM 12451 O WAT X3455 12.082 18.335 2.511 0.00 0.00 +ATOM 12452 H1 WAT X3455 11.738 17.739 3.176 0.00 0.00 +ATOM 12453 H2 WAT X3455 12.572 17.769 1.914 0.00 0.00 +ATOM 12454 O WAT X3456 73.004 10.453 53.349 0.00 0.00 +ATOM 12455 H1 WAT X3456 72.633 11.023 54.023 0.00 0.00 +ATOM 12456 H2 WAT X3456 72.660 9.584 53.555 0.00 0.00 +ATOM 12457 O WAT X3457 46.026 2.078 7.765 0.00 0.00 +ATOM 12458 H1 WAT X3457 46.059 2.711 7.047 0.00 0.00 +ATOM 12459 H2 WAT X3457 46.531 1.330 7.447 0.00 0.00 +ATOM 12460 O WAT X3458 2.248 59.571 41.399 0.00 0.00 +ATOM 12461 H1 WAT X3458 2.749 58.767 41.264 0.00 0.00 +ATOM 12462 H2 WAT X3458 1.435 59.280 41.812 0.00 0.00 +ATOM 12463 O WAT X3459 76.831 22.074 12.412 0.00 0.00 +ATOM 12464 H1 WAT X3459 76.171 22.145 13.102 0.00 0.00 +ATOM 12465 H2 WAT X3459 76.575 22.732 11.766 0.00 0.00 +ATOM 12466 O WAT X3460 77.203 33.682 33.917 0.00 0.00 +ATOM 12467 H1 WAT X3460 77.408 32.914 33.384 0.00 0.00 +ATOM 12468 H2 WAT X3460 76.340 33.494 34.286 0.00 0.00 +ATOM 12469 O WAT X3461 33.469 39.577 34.907 0.00 0.00 +ATOM 12470 H1 WAT X3461 32.612 39.946 35.120 0.00 0.00 +ATOM 12471 H2 WAT X3461 33.520 39.623 33.953 0.00 0.00 +ATOM 12472 O WAT X3462 38.754 5.162 25.632 0.00 0.00 +ATOM 12473 H1 WAT X3462 38.419 5.454 26.479 0.00 0.00 +ATOM 12474 H2 WAT X3462 38.200 4.417 25.398 0.00 0.00 +ATOM 12475 O WAT X3463 77.842 56.424 20.489 0.00 0.00 +ATOM 12476 H1 WAT X3463 77.665 56.549 21.422 0.00 0.00 +ATOM 12477 H2 WAT X3463 76.975 56.395 20.083 0.00 0.00 +ATOM 12478 O WAT X3464 48.447 7.740 17.516 0.00 0.00 +ATOM 12479 H1 WAT X3464 49.268 7.856 17.995 0.00 0.00 +ATOM 12480 H2 WAT X3464 48.106 8.627 17.407 0.00 0.00 +ATOM 12481 O WAT X3465 66.540 14.115 45.871 0.00 0.00 +ATOM 12482 H1 WAT X3465 65.977 14.737 46.331 0.00 0.00 +ATOM 12483 H2 WAT X3465 65.932 13.482 45.486 0.00 0.00 +ATOM 12484 O WAT X3466 55.585 45.565 5.523 0.00 0.00 +ATOM 12485 H1 WAT X3466 55.338 46.353 5.039 0.00 0.00 +ATOM 12486 H2 WAT X3466 55.444 45.794 6.441 0.00 0.00 +ATOM 12487 O WAT X3467 25.804 49.976 15.439 0.00 0.00 +ATOM 12488 H1 WAT X3467 26.411 50.059 14.703 0.00 0.00 +ATOM 12489 H2 WAT X3467 25.435 50.852 15.546 0.00 0.00 +ATOM 12490 O WAT X3468 32.075 20.593 40.637 0.00 0.00 +ATOM 12491 H1 WAT X3468 32.099 21.544 40.744 0.00 0.00 +ATOM 12492 H2 WAT X3468 32.468 20.251 41.439 0.00 0.00 +ATOM 12493 O WAT X3469 65.397 10.291 39.124 0.00 0.00 +ATOM 12494 H1 WAT X3469 65.571 11.004 39.739 0.00 0.00 +ATOM 12495 H2 WAT X3469 65.593 9.496 39.618 0.00 0.00 +ATOM 12496 O WAT X3470 27.565 19.267 0.903 0.00 0.00 +ATOM 12497 H1 WAT X3470 27.493 18.335 1.108 0.00 0.00 +ATOM 12498 H2 WAT X3470 27.258 19.338 -0.001 0.00 0.00 +ATOM 12499 O WAT X3471 57.603 57.735 40.908 0.00 0.00 +ATOM 12500 H1 WAT X3471 58.297 58.339 40.643 0.00 0.00 +ATOM 12501 H2 WAT X3471 57.218 57.435 40.085 0.00 0.00 +ATOM 12502 O WAT X3472 37.155 5.536 2.928 0.00 0.00 +ATOM 12503 H1 WAT X3472 38.055 5.814 3.096 0.00 0.00 +ATOM 12504 H2 WAT X3472 37.001 5.763 2.011 0.00 0.00 +ATOM 12505 O WAT X3473 68.836 9.567 16.892 0.00 0.00 +ATOM 12506 H1 WAT X3473 68.944 8.776 16.364 0.00 0.00 +ATOM 12507 H2 WAT X3473 68.596 9.246 17.761 0.00 0.00 +ATOM 12508 O WAT X3474 52.358 17.760 30.630 0.00 0.00 +ATOM 12509 H1 WAT X3474 52.979 17.093 30.922 0.00 0.00 +ATOM 12510 H2 WAT X3474 52.791 18.592 30.821 0.00 0.00 +ATOM 12511 O WAT X3475 6.917 33.057 22.661 0.00 0.00 +ATOM 12512 H1 WAT X3475 7.428 33.486 21.975 0.00 0.00 +ATOM 12513 H2 WAT X3475 7.568 32.770 23.301 0.00 0.00 +ATOM 12514 O WAT X3476 74.872 2.352 20.987 0.00 0.00 +ATOM 12515 H1 WAT X3476 75.607 2.714 20.493 0.00 0.00 +ATOM 12516 H2 WAT X3476 74.857 2.859 21.799 0.00 0.00 +ATOM 12517 O WAT X3477 12.938 19.780 50.239 0.00 0.00 +ATOM 12518 H1 WAT X3477 12.528 19.730 51.102 0.00 0.00 +ATOM 12519 H2 WAT X3477 13.579 19.069 50.236 0.00 0.00 +ATOM 12520 O WAT X3478 50.789 38.743 15.051 0.00 0.00 +ATOM 12521 H1 WAT X3478 50.779 38.431 15.956 0.00 0.00 +ATOM 12522 H2 WAT X3478 51.687 38.593 14.756 0.00 0.00 +ATOM 12523 O WAT X3479 56.307 35.434 12.494 0.00 0.00 +ATOM 12524 H1 WAT X3479 55.471 35.057 12.766 0.00 0.00 +ATOM 12525 H2 WAT X3479 56.850 34.678 12.270 0.00 0.00 +ATOM 12526 O WAT X3480 57.458 61.523 18.143 0.00 0.00 +ATOM 12527 H1 WAT X3480 58.095 61.193 17.510 0.00 0.00 +ATOM 12528 H2 WAT X3480 57.394 60.832 18.802 0.00 0.00 +ATOM 12529 O WAT X3481 2.138 2.825 49.507 0.00 0.00 +ATOM 12530 H1 WAT X3481 2.169 3.582 50.093 0.00 0.00 +ATOM 12531 H2 WAT X3481 3.007 2.796 49.108 0.00 0.00 +ATOM 12532 O WAT X3482 48.692 13.054 25.754 0.00 0.00 +ATOM 12533 H1 WAT X3482 48.724 12.297 25.169 0.00 0.00 +ATOM 12534 H2 WAT X3482 49.300 13.683 25.365 0.00 0.00 +ATOM 12535 O WAT X3483 46.669 0.755 23.390 0.00 0.00 +ATOM 12536 H1 WAT X3483 46.583 1.708 23.386 0.00 0.00 +ATOM 12537 H2 WAT X3483 47.538 0.595 23.758 0.00 0.00 +ATOM 12538 O WAT X3484 21.972 3.229 39.557 0.00 0.00 +ATOM 12539 H1 WAT X3484 21.803 2.295 39.435 0.00 0.00 +ATOM 12540 H2 WAT X3484 22.902 3.278 39.777 0.00 0.00 +ATOM 12541 O WAT X3485 62.457 39.531 46.479 0.00 0.00 +ATOM 12542 H1 WAT X3485 63.216 38.981 46.286 0.00 0.00 +ATOM 12543 H2 WAT X3485 61.909 38.993 47.051 0.00 0.00 +ATOM 12544 O WAT X3486 9.234 17.668 47.288 0.00 0.00 +ATOM 12545 H1 WAT X3486 8.482 18.153 47.627 0.00 0.00 +ATOM 12546 H2 WAT X3486 8.860 16.858 46.939 0.00 0.00 +ATOM 12547 O WAT X3487 55.499 17.584 16.991 0.00 0.00 +ATOM 12548 H1 WAT X3487 55.517 17.946 16.105 0.00 0.00 +ATOM 12549 H2 WAT X3487 55.072 18.260 17.517 0.00 0.00 +ATOM 12550 O WAT X3488 73.214 59.274 0.721 0.00 0.00 +ATOM 12551 H1 WAT X3488 73.803 58.548 0.516 0.00 0.00 +ATOM 12552 H2 WAT X3488 72.353 58.866 0.811 0.00 0.00 +ATOM 12553 O WAT X3489 51.484 47.194 39.103 0.00 0.00 +ATOM 12554 H1 WAT X3489 51.762 48.087 39.310 0.00 0.00 +ATOM 12555 H2 WAT X3489 51.400 47.185 38.150 0.00 0.00 +ATOM 12556 O WAT X3490 66.331 39.067 53.587 0.00 0.00 +ATOM 12557 H1 WAT X3490 65.840 38.272 53.380 0.00 0.00 +ATOM 12558 H2 WAT X3490 67.113 38.753 54.042 0.00 0.00 +ATOM 12559 O WAT X3491 0.376 32.442 30.714 0.00 0.00 +ATOM 12560 H1 WAT X3491 0.317 32.868 29.859 0.00 0.00 +ATOM 12561 H2 WAT X3491 -0.296 31.760 30.688 0.00 0.00 +ATOM 12562 O WAT X3492 28.062 49.786 14.206 0.00 0.00 +ATOM 12563 H1 WAT X3492 28.129 49.164 13.481 0.00 0.00 +ATOM 12564 H2 WAT X3492 28.963 49.897 14.510 0.00 0.00 +ATOM 12565 O WAT X3493 69.471 44.050 41.990 0.00 0.00 +ATOM 12566 H1 WAT X3493 70.214 44.603 41.750 0.00 0.00 +ATOM 12567 H2 WAT X3493 69.867 43.292 42.422 0.00 0.00 +ATOM 12568 O WAT X3494 40.904 56.272 23.700 0.00 0.00 +ATOM 12569 H1 WAT X3494 41.335 56.689 22.955 0.00 0.00 +ATOM 12570 H2 WAT X3494 40.635 57.000 24.261 0.00 0.00 +ATOM 12571 O WAT X3495 6.462 19.058 51.295 0.00 0.00 +ATOM 12572 H1 WAT X3495 7.404 18.889 51.272 0.00 0.00 +ATOM 12573 H2 WAT X3495 6.126 18.454 51.957 0.00 0.00 +ATOM 12574 O WAT X3496 77.550 14.891 57.709 0.00 0.00 +ATOM 12575 H1 WAT X3496 77.825 14.270 57.034 0.00 0.00 +ATOM 12576 H2 WAT X3496 76.993 14.378 58.294 0.00 0.00 +ATOM 12577 O WAT X3497 62.641 36.560 47.533 0.00 0.00 +ATOM 12578 H1 WAT X3497 61.805 36.180 47.261 0.00 0.00 +ATOM 12579 H2 WAT X3497 62.870 36.086 48.333 0.00 0.00 +ATOM 12580 O WAT X3498 22.296 13.889 34.409 0.00 0.00 +ATOM 12581 H1 WAT X3498 22.010 14.738 34.745 0.00 0.00 +ATOM 12582 H2 WAT X3498 23.112 13.710 34.875 0.00 0.00 +ATOM 12583 O WAT X3499 71.181 15.175 25.071 0.00 0.00 +ATOM 12584 H1 WAT X3499 70.362 14.688 25.164 0.00 0.00 +ATOM 12585 H2 WAT X3499 71.074 15.670 24.259 0.00 0.00 +ATOM 12586 O WAT X3500 49.512 35.171 49.074 0.00 0.00 +ATOM 12587 H1 WAT X3500 50.412 35.119 48.753 0.00 0.00 +ATOM 12588 H2 WAT X3500 49.586 35.595 49.929 0.00 0.00 +ATOM 12589 O WAT X3501 24.873 60.921 20.479 0.00 0.00 +ATOM 12590 H1 WAT X3501 25.550 60.291 20.230 0.00 0.00 +ATOM 12591 H2 WAT X3501 24.808 60.838 21.430 0.00 0.00 +ATOM 12592 O WAT X3502 15.316 58.588 56.456 0.00 0.00 +ATOM 12593 H1 WAT X3502 15.429 59.268 57.120 0.00 0.00 +ATOM 12594 H2 WAT X3502 14.559 58.876 55.946 0.00 0.00 +ATOM 12595 O WAT X3503 0.232 43.913 49.324 0.00 0.00 +ATOM 12596 H1 WAT X3503 0.638 44.371 48.588 0.00 0.00 +ATOM 12597 H2 WAT X3503 0.525 44.395 50.097 0.00 0.00 +ATOM 12598 O WAT X3504 24.303 0.611 1.241 0.00 0.00 +ATOM 12599 H1 WAT X3504 25.177 0.748 1.607 0.00 0.00 +ATOM 12600 H2 WAT X3504 24.095 -0.299 1.454 0.00 0.00 +ATOM 12601 O WAT X3505 0.539 59.390 58.342 0.00 0.00 +ATOM 12602 H1 WAT X3505 0.194 58.868 59.066 0.00 0.00 +ATOM 12603 H2 WAT X3505 -0.116 59.301 57.650 0.00 0.00 +ATOM 12604 O WAT X3506 69.404 17.968 43.441 0.00 0.00 +ATOM 12605 H1 WAT X3506 68.713 17.846 42.791 0.00 0.00 +ATOM 12606 H2 WAT X3506 69.355 17.187 43.992 0.00 0.00 +ATOM 12607 O WAT X3507 30.279 11.387 5.790 0.00 0.00 +ATOM 12608 H1 WAT X3507 29.732 10.788 6.299 0.00 0.00 +ATOM 12609 H2 WAT X3507 30.189 11.084 4.886 0.00 0.00 +ATOM 12610 O WAT X3508 9.596 24.619 29.436 0.00 0.00 +ATOM 12611 H1 WAT X3508 8.918 24.801 30.086 0.00 0.00 +ATOM 12612 H2 WAT X3508 9.991 23.796 29.725 0.00 0.00 +ATOM 12613 O WAT X3509 64.681 15.412 52.233 0.00 0.00 +ATOM 12614 H1 WAT X3509 65.338 14.939 52.744 0.00 0.00 +ATOM 12615 H2 WAT X3509 64.976 16.323 52.247 0.00 0.00 +ATOM 12616 O WAT X3510 18.934 42.598 9.654 0.00 0.00 +ATOM 12617 H1 WAT X3510 18.986 42.217 8.778 0.00 0.00 +ATOM 12618 H2 WAT X3510 18.539 41.912 10.191 0.00 0.00 +ATOM 12619 O WAT X3511 72.327 48.842 20.241 0.00 0.00 +ATOM 12620 H1 WAT X3511 72.786 48.666 19.420 0.00 0.00 +ATOM 12621 H2 WAT X3511 71.508 49.259 19.973 0.00 0.00 +ATOM 12622 O WAT X3512 63.446 53.817 41.142 0.00 0.00 +ATOM 12623 H1 WAT X3512 63.695 53.646 40.234 0.00 0.00 +ATOM 12624 H2 WAT X3512 62.542 54.129 41.087 0.00 0.00 +ATOM 12625 O WAT X3513 4.969 56.154 49.700 0.00 0.00 +ATOM 12626 H1 WAT X3513 5.487 56.924 49.935 0.00 0.00 +ATOM 12627 H2 WAT X3513 5.522 55.671 49.087 0.00 0.00 +ATOM 12628 O WAT X3514 34.473 42.161 14.892 0.00 0.00 +ATOM 12629 H1 WAT X3514 34.766 41.843 14.038 0.00 0.00 +ATOM 12630 H2 WAT X3514 33.598 42.515 14.728 0.00 0.00 +ATOM 12631 O WAT X3515 72.619 24.294 52.324 0.00 0.00 +ATOM 12632 H1 WAT X3515 73.034 24.071 51.491 0.00 0.00 +ATOM 12633 H2 WAT X3515 72.692 23.496 52.848 0.00 0.00 +ATOM 12634 O WAT X3516 49.246 22.039 18.276 0.00 0.00 +ATOM 12635 H1 WAT X3516 48.447 22.112 18.798 0.00 0.00 +ATOM 12636 H2 WAT X3516 49.521 21.129 18.386 0.00 0.00 +ATOM 12637 O WAT X3517 65.005 0.380 11.278 0.00 0.00 +ATOM 12638 H1 WAT X3517 65.684 -0.242 11.540 0.00 0.00 +ATOM 12639 H2 WAT X3517 64.526 -0.068 10.580 0.00 0.00 +ATOM 12640 O WAT X3518 16.312 27.461 42.597 0.00 0.00 +ATOM 12641 H1 WAT X3518 15.689 26.767 42.380 0.00 0.00 +ATOM 12642 H2 WAT X3518 15.937 28.250 42.206 0.00 0.00 +ATOM 12643 O WAT X3519 73.652 0.976 13.050 0.00 0.00 +ATOM 12644 H1 WAT X3519 73.778 0.032 13.151 0.00 0.00 +ATOM 12645 H2 WAT X3519 72.858 1.166 13.550 0.00 0.00 +ATOM 12646 O WAT X3520 61.409 53.397 31.678 0.00 0.00 +ATOM 12647 H1 WAT X3520 61.492 53.453 30.726 0.00 0.00 +ATOM 12648 H2 WAT X3520 61.871 54.169 32.004 0.00 0.00 +ATOM 12649 O WAT X3521 67.916 18.847 16.531 0.00 0.00 +ATOM 12650 H1 WAT X3521 67.440 18.043 16.323 0.00 0.00 +ATOM 12651 H2 WAT X3521 67.257 19.422 16.920 0.00 0.00 +ATOM 12652 O WAT X3522 17.787 45.832 42.111 0.00 0.00 +ATOM 12653 H1 WAT X3522 17.903 45.906 41.164 0.00 0.00 +ATOM 12654 H2 WAT X3522 18.332 46.530 42.474 0.00 0.00 +ATOM 12655 O WAT X3523 56.232 12.577 18.509 0.00 0.00 +ATOM 12656 H1 WAT X3523 55.580 12.783 19.179 0.00 0.00 +ATOM 12657 H2 WAT X3523 56.442 13.422 18.112 0.00 0.00 +ATOM 12658 O WAT X3524 49.948 31.620 50.483 0.00 0.00 +ATOM 12659 H1 WAT X3524 49.669 30.932 51.086 0.00 0.00 +ATOM 12660 H2 WAT X3524 49.147 32.105 50.285 0.00 0.00 +ATOM 12661 O WAT X3525 56.672 21.371 3.957 0.00 0.00 +ATOM 12662 H1 WAT X3525 56.882 22.236 4.309 0.00 0.00 +ATOM 12663 H2 WAT X3525 55.731 21.274 4.104 0.00 0.00 +ATOM 12664 O WAT X3526 59.889 49.898 54.293 0.00 0.00 +ATOM 12665 H1 WAT X3526 59.314 50.042 55.046 0.00 0.00 +ATOM 12666 H2 WAT X3526 60.641 49.427 54.652 0.00 0.00 +ATOM 12667 O WAT X3527 74.341 52.406 7.005 0.00 0.00 +ATOM 12668 H1 WAT X3527 73.578 52.966 6.856 0.00 0.00 +ATOM 12669 H2 WAT X3527 74.079 51.832 7.724 0.00 0.00 +ATOM 12670 O WAT X3528 42.556 7.541 49.973 0.00 0.00 +ATOM 12671 H1 WAT X3528 42.686 7.591 49.027 0.00 0.00 +ATOM 12672 H2 WAT X3528 42.497 8.454 50.256 0.00 0.00 +ATOM 12673 O WAT X3529 27.610 11.295 14.156 0.00 0.00 +ATOM 12674 H1 WAT X3529 28.083 12.127 14.120 0.00 0.00 +ATOM 12675 H2 WAT X3529 28.289 10.629 14.050 0.00 0.00 +ATOM 12676 O WAT X3530 68.045 49.344 14.715 0.00 0.00 +ATOM 12677 H1 WAT X3530 68.826 49.763 14.353 0.00 0.00 +ATOM 12678 H2 WAT X3530 67.448 49.266 13.972 0.00 0.00 +ATOM 12679 O WAT X3531 38.132 39.451 42.624 0.00 0.00 +ATOM 12680 H1 WAT X3531 38.057 40.098 43.326 0.00 0.00 +ATOM 12681 H2 WAT X3531 37.248 39.093 42.534 0.00 0.00 +ATOM 12682 O WAT X3532 39.431 49.953 19.313 0.00 0.00 +ATOM 12683 H1 WAT X3532 39.878 50.791 19.197 0.00 0.00 +ATOM 12684 H2 WAT X3532 38.719 50.145 19.924 0.00 0.00 +ATOM 12685 O WAT X3533 30.114 24.801 45.590 0.00 0.00 +ATOM 12686 H1 WAT X3533 29.607 24.215 45.028 0.00 0.00 +ATOM 12687 H2 WAT X3533 30.957 24.888 45.145 0.00 0.00 +ATOM 12688 O WAT X3534 8.366 -0.120 57.905 0.00 0.00 +ATOM 12689 H1 WAT X3534 8.733 0.428 57.211 0.00 0.00 +ATOM 12690 H2 WAT X3534 8.992 -0.045 58.625 0.00 0.00 +ATOM 12691 O WAT X3535 15.080 22.212 52.872 0.00 0.00 +ATOM 12692 H1 WAT X3535 15.566 21.875 53.624 0.00 0.00 +ATOM 12693 H2 WAT X3535 14.426 22.799 53.252 0.00 0.00 +ATOM 12694 O WAT X3536 33.287 39.167 9.477 0.00 0.00 +ATOM 12695 H1 WAT X3536 32.874 38.362 9.163 0.00 0.00 +ATOM 12696 H2 WAT X3536 33.006 39.240 10.389 0.00 0.00 +ATOM 12697 O WAT X3537 39.803 12.154 17.000 0.00 0.00 +ATOM 12698 H1 WAT X3537 40.002 11.641 16.216 0.00 0.00 +ATOM 12699 H2 WAT X3537 40.097 13.040 16.787 0.00 0.00 +ATOM 12700 O WAT X3538 18.666 20.101 39.481 0.00 0.00 +ATOM 12701 H1 WAT X3538 19.521 20.335 39.119 0.00 0.00 +ATOM 12702 H2 WAT X3538 18.799 19.235 39.867 0.00 0.00 +ATOM 12703 O WAT X3539 63.019 16.701 54.248 0.00 0.00 +ATOM 12704 H1 WAT X3539 62.903 17.602 53.944 0.00 0.00 +ATOM 12705 H2 WAT X3539 63.000 16.175 53.449 0.00 0.00 +ATOM 12706 O WAT X3540 64.814 18.415 47.651 0.00 0.00 +ATOM 12707 H1 WAT X3540 64.260 19.012 48.155 0.00 0.00 +ATOM 12708 H2 WAT X3540 64.703 18.696 46.743 0.00 0.00 +ATOM 12709 O WAT X3541 13.069 0.300 56.834 0.00 0.00 +ATOM 12710 H1 WAT X3541 12.705 0.780 56.091 0.00 0.00 +ATOM 12711 H2 WAT X3541 12.952 0.889 57.580 0.00 0.00 +ATOM 12712 O WAT X3542 12.897 23.795 48.401 0.00 0.00 +ATOM 12713 H1 WAT X3542 13.353 23.335 47.696 0.00 0.00 +ATOM 12714 H2 WAT X3542 12.464 23.101 48.898 0.00 0.00 +ATOM 12715 O WAT X3543 59.457 16.944 53.918 0.00 0.00 +ATOM 12716 H1 WAT X3543 59.981 17.053 54.711 0.00 0.00 +ATOM 12717 H2 WAT X3543 58.945 16.151 54.076 0.00 0.00 +ATOM 12718 O WAT X3544 61.128 25.656 17.018 0.00 0.00 +ATOM 12719 H1 WAT X3544 61.088 25.080 17.781 0.00 0.00 +ATOM 12720 H2 WAT X3544 62.044 25.621 16.740 0.00 0.00 +ATOM 12721 O WAT X3545 59.028 57.403 47.950 0.00 0.00 +ATOM 12722 H1 WAT X3545 58.404 56.734 48.231 0.00 0.00 +ATOM 12723 H2 WAT X3545 59.272 57.145 47.062 0.00 0.00 +ATOM 12724 O WAT X3546 27.309 48.301 55.461 0.00 0.00 +ATOM 12725 H1 WAT X3546 27.075 49.174 55.777 0.00 0.00 +ATOM 12726 H2 WAT X3546 27.791 48.461 54.649 0.00 0.00 +ATOM 12727 O WAT X3547 63.406 31.497 2.007 0.00 0.00 +ATOM 12728 H1 WAT X3547 62.916 31.570 1.188 0.00 0.00 +ATOM 12729 H2 WAT X3547 64.015 32.235 1.988 0.00 0.00 +ATOM 12730 O WAT X3548 35.195 39.493 42.098 0.00 0.00 +ATOM 12731 H1 WAT X3548 34.652 40.033 42.672 0.00 0.00 +ATOM 12732 H2 WAT X3548 35.518 38.792 42.665 0.00 0.00 +ATOM 12733 O WAT X3549 25.110 39.584 4.673 0.00 0.00 +ATOM 12734 H1 WAT X3549 25.129 39.051 3.879 0.00 0.00 +ATOM 12735 H2 WAT X3549 25.570 40.389 4.433 0.00 0.00 +ATOM 12736 O WAT X3550 14.567 10.012 23.167 0.00 0.00 +ATOM 12737 H1 WAT X3550 15.407 10.161 23.601 0.00 0.00 +ATOM 12738 H2 WAT X3550 14.763 9.377 22.478 0.00 0.00 +ATOM 12739 O WAT X3551 69.942 57.587 35.544 0.00 0.00 +ATOM 12740 H1 WAT X3551 70.283 58.405 35.906 0.00 0.00 +ATOM 12741 H2 WAT X3551 68.991 57.692 35.570 0.00 0.00 +ATOM 12742 O WAT X3552 69.212 22.230 26.377 0.00 0.00 +ATOM 12743 H1 WAT X3552 69.797 22.984 26.459 0.00 0.00 +ATOM 12744 H2 WAT X3552 68.444 22.572 25.919 0.00 0.00 +ATOM 12745 O WAT X3553 47.618 12.706 22.873 0.00 0.00 +ATOM 12746 H1 WAT X3553 46.742 12.786 22.494 0.00 0.00 +ATOM 12747 H2 WAT X3553 47.872 13.605 23.080 0.00 0.00 +ATOM 12748 O WAT X3554 35.392 59.114 7.088 0.00 0.00 +ATOM 12749 H1 WAT X3554 35.875 59.612 6.429 0.00 0.00 +ATOM 12750 H2 WAT X3554 34.617 59.646 7.270 0.00 0.00 +ATOM 12751 O WAT X3555 42.947 48.322 37.833 0.00 0.00 +ATOM 12752 H1 WAT X3555 42.601 48.601 36.985 0.00 0.00 +ATOM 12753 H2 WAT X3555 43.701 47.774 37.615 0.00 0.00 +ATOM 12754 O WAT X3556 60.778 42.932 29.390 0.00 0.00 +ATOM 12755 H1 WAT X3556 59.840 42.751 29.441 0.00 0.00 +ATOM 12756 H2 WAT X3556 60.938 43.108 28.462 0.00 0.00 +ATOM 12757 O WAT X3557 75.792 1.846 37.161 0.00 0.00 +ATOM 12758 H1 WAT X3557 76.469 2.142 36.552 0.00 0.00 +ATOM 12759 H2 WAT X3557 76.088 0.981 37.445 0.00 0.00 +ATOM 12760 O WAT X3558 67.733 45.800 9.055 0.00 0.00 +ATOM 12761 H1 WAT X3558 66.976 46.080 9.570 0.00 0.00 +ATOM 12762 H2 WAT X3558 67.419 45.796 8.151 0.00 0.00 +ATOM 12763 O WAT X3559 4.213 6.433 38.810 0.00 0.00 +ATOM 12764 H1 WAT X3559 3.359 6.624 38.422 0.00 0.00 +ATOM 12765 H2 WAT X3559 4.244 6.975 39.598 0.00 0.00 +ATOM 12766 O WAT X3560 55.438 26.725 49.458 0.00 0.00 +ATOM 12767 H1 WAT X3560 54.997 26.664 50.305 0.00 0.00 +ATOM 12768 H2 WAT X3560 56.054 27.451 49.559 0.00 0.00 +ATOM 12769 O WAT X3561 58.418 32.707 2.238 0.00 0.00 +ATOM 12770 H1 WAT X3561 58.625 31.853 1.857 0.00 0.00 +ATOM 12771 H2 WAT X3561 59.252 33.022 2.588 0.00 0.00 +ATOM 12772 O WAT X3562 45.835 20.584 50.053 0.00 0.00 +ATOM 12773 H1 WAT X3562 45.173 21.250 49.870 0.00 0.00 +ATOM 12774 H2 WAT X3562 45.604 19.852 49.481 0.00 0.00 +ATOM 12775 O WAT X3563 57.860 18.420 41.776 0.00 0.00 +ATOM 12776 H1 WAT X3563 58.222 18.118 42.609 0.00 0.00 +ATOM 12777 H2 WAT X3563 57.910 17.655 41.202 0.00 0.00 +ATOM 12778 O WAT X3564 70.864 55.624 49.297 0.00 0.00 +ATOM 12779 H1 WAT X3564 71.463 54.878 49.309 0.00 0.00 +ATOM 12780 H2 WAT X3564 71.431 56.386 49.179 0.00 0.00 +ATOM 12781 O WAT X3565 67.357 52.860 10.531 0.00 0.00 +ATOM 12782 H1 WAT X3565 66.534 52.372 10.496 0.00 0.00 +ATOM 12783 H2 WAT X3565 67.659 52.886 9.623 0.00 0.00 +ATOM 12784 O WAT X3566 11.183 26.641 14.586 0.00 0.00 +ATOM 12785 H1 WAT X3566 11.229 25.797 15.034 0.00 0.00 +ATOM 12786 H2 WAT X3566 12.058 27.015 14.690 0.00 0.00 +ATOM 12787 O WAT X3567 4.660 10.999 27.023 0.00 0.00 +ATOM 12788 H1 WAT X3567 5.275 10.374 27.409 0.00 0.00 +ATOM 12789 H2 WAT X3567 5.084 11.850 27.131 0.00 0.00 +ATOM 12790 O WAT X3568 45.875 33.987 13.087 0.00 0.00 +ATOM 12791 H1 WAT X3568 45.383 33.409 13.670 0.00 0.00 +ATOM 12792 H2 WAT X3568 46.386 33.393 12.537 0.00 0.00 +ATOM 12793 O WAT X3569 54.383 54.083 38.022 0.00 0.00 +ATOM 12794 H1 WAT X3569 54.608 54.586 37.239 0.00 0.00 +ATOM 12795 H2 WAT X3569 54.829 53.244 37.904 0.00 0.00 +ATOM 12796 O WAT X3570 21.009 3.514 22.604 0.00 0.00 +ATOM 12797 H1 WAT X3570 20.159 3.843 22.310 0.00 0.00 +ATOM 12798 H2 WAT X3570 21.648 4.045 22.129 0.00 0.00 +ATOM 12799 O WAT X3571 11.373 23.912 51.835 0.00 0.00 +ATOM 12800 H1 WAT X3571 11.944 23.662 51.108 0.00 0.00 +ATOM 12801 H2 WAT X3571 11.072 24.793 51.611 0.00 0.00 +ATOM 12802 O WAT X3572 56.118 52.366 24.862 0.00 0.00 +ATOM 12803 H1 WAT X3572 55.463 52.791 24.308 0.00 0.00 +ATOM 12804 H2 WAT X3572 56.734 51.970 24.246 0.00 0.00 +ATOM 12805 O WAT X3573 67.517 18.229 53.790 0.00 0.00 +ATOM 12806 H1 WAT X3573 68.394 18.060 53.448 0.00 0.00 +ATOM 12807 H2 WAT X3573 67.171 17.363 54.003 0.00 0.00 +ATOM 12808 O WAT X3574 14.476 56.951 36.622 0.00 0.00 +ATOM 12809 H1 WAT X3574 13.593 57.263 36.426 0.00 0.00 +ATOM 12810 H2 WAT X3574 14.922 56.945 35.775 0.00 0.00 +ATOM 12811 O WAT X3575 70.471 17.882 10.929 0.00 0.00 +ATOM 12812 H1 WAT X3575 69.949 18.367 10.291 0.00 0.00 +ATOM 12813 H2 WAT X3575 70.214 18.246 11.776 0.00 0.00 +ATOM 12814 O WAT X3576 13.294 45.811 12.298 0.00 0.00 +ATOM 12815 H1 WAT X3576 14.074 45.518 11.828 0.00 0.00 +ATOM 12816 H2 WAT X3576 12.621 45.171 12.067 0.00 0.00 +ATOM 12817 O WAT X3577 8.362 25.846 15.139 0.00 0.00 +ATOM 12818 H1 WAT X3577 8.424 25.706 16.084 0.00 0.00 +ATOM 12819 H2 WAT X3577 9.268 25.818 14.833 0.00 0.00 +ATOM 12820 O WAT X3578 21.379 2.023 0.904 0.00 0.00 +ATOM 12821 H1 WAT X3578 20.455 2.147 0.687 0.00 0.00 +ATOM 12822 H2 WAT X3578 21.801 1.851 0.062 0.00 0.00 +ATOM 12823 O WAT X3579 41.268 18.803 4.739 0.00 0.00 +ATOM 12824 H1 WAT X3579 41.866 18.057 4.803 0.00 0.00 +ATOM 12825 H2 WAT X3579 41.604 19.434 5.375 0.00 0.00 +ATOM 12826 O WAT X3580 12.701 35.966 34.536 0.00 0.00 +ATOM 12827 H1 WAT X3580 12.210 36.530 35.134 0.00 0.00 +ATOM 12828 H2 WAT X3580 12.510 35.077 34.834 0.00 0.00 +ATOM 12829 O WAT X3581 23.110 11.692 33.139 0.00 0.00 +ATOM 12830 H1 WAT X3581 22.392 11.073 33.001 0.00 0.00 +ATOM 12831 H2 WAT X3581 22.781 12.293 33.807 0.00 0.00 +ATOM 12832 O WAT X3582 62.367 53.383 21.334 0.00 0.00 +ATOM 12833 H1 WAT X3582 61.824 53.147 22.087 0.00 0.00 +ATOM 12834 H2 WAT X3582 62.378 52.595 20.791 0.00 0.00 +ATOM 12835 O WAT X3583 22.631 57.121 7.160 0.00 0.00 +ATOM 12836 H1 WAT X3583 22.619 56.243 6.780 0.00 0.00 +ATOM 12837 H2 WAT X3583 23.557 57.359 7.187 0.00 0.00 +ATOM 12838 O WAT X3584 58.626 2.531 46.666 0.00 0.00 +ATOM 12839 H1 WAT X3584 58.002 1.836 46.456 0.00 0.00 +ATOM 12840 H2 WAT X3584 59.238 2.534 45.929 0.00 0.00 +ATOM 12841 O WAT X3585 45.392 3.719 45.581 0.00 0.00 +ATOM 12842 H1 WAT X3585 46.180 3.699 46.123 0.00 0.00 +ATOM 12843 H2 WAT X3585 45.033 2.834 45.648 0.00 0.00 +ATOM 12844 O WAT X3586 2.880 36.169 56.397 0.00 0.00 +ATOM 12845 H1 WAT X3586 2.885 35.372 56.928 0.00 0.00 +ATOM 12846 H2 WAT X3586 2.254 36.745 56.835 0.00 0.00 +ATOM 12847 O WAT X3587 20.708 58.537 20.003 0.00 0.00 +ATOM 12848 H1 WAT X3587 19.755 58.610 20.045 0.00 0.00 +ATOM 12849 H2 WAT X3587 21.001 58.719 20.896 0.00 0.00 +ATOM 12850 O WAT X3588 4.802 46.455 23.954 0.00 0.00 +ATOM 12851 H1 WAT X3588 4.235 45.739 24.242 0.00 0.00 +ATOM 12852 H2 WAT X3588 5.602 46.349 24.469 0.00 0.00 +ATOM 12853 O WAT X3589 22.879 45.987 23.207 0.00 0.00 +ATOM 12854 H1 WAT X3589 23.708 45.894 23.676 0.00 0.00 +ATOM 12855 H2 WAT X3589 22.721 46.930 23.184 0.00 0.00 +ATOM 12856 O WAT X3590 17.745 50.761 2.927 0.00 0.00 +ATOM 12857 H1 WAT X3590 18.063 50.827 2.027 0.00 0.00 +ATOM 12858 H2 WAT X3590 18.442 50.303 3.395 0.00 0.00 +ATOM 12859 O WAT X3591 26.316 60.008 15.860 0.00 0.00 +ATOM 12860 H1 WAT X3591 25.970 59.115 15.882 0.00 0.00 +ATOM 12861 H2 WAT X3591 27.059 59.992 16.463 0.00 0.00 +ATOM 12862 O WAT X3592 6.492 60.896 13.162 0.00 0.00 +ATOM 12863 H1 WAT X3592 6.281 60.378 13.939 0.00 0.00 +ATOM 12864 H2 WAT X3592 5.678 60.913 12.658 0.00 0.00 +ATOM 12865 O WAT X3593 52.593 4.922 33.220 0.00 0.00 +ATOM 12866 H1 WAT X3593 52.816 5.818 33.469 0.00 0.00 +ATOM 12867 H2 WAT X3593 53.200 4.712 32.510 0.00 0.00 +ATOM 12868 O WAT X3594 46.704 27.050 41.442 0.00 0.00 +ATOM 12869 H1 WAT X3594 47.544 27.160 41.887 0.00 0.00 +ATOM 12870 H2 WAT X3594 46.435 27.941 41.214 0.00 0.00 +ATOM 12871 O WAT X3595 7.622 26.851 50.906 0.00 0.00 +ATOM 12872 H1 WAT X3595 7.347 27.300 50.107 0.00 0.00 +ATOM 12873 H2 WAT X3595 7.170 26.008 50.875 0.00 0.00 +ATOM 12874 O WAT X3596 69.174 8.000 10.784 0.00 0.00 +ATOM 12875 H1 WAT X3596 69.154 7.156 10.334 0.00 0.00 +ATOM 12876 H2 WAT X3596 70.046 8.350 10.600 0.00 0.00 +ATOM 12877 O WAT X3597 4.391 21.509 9.118 0.00 0.00 +ATOM 12878 H1 WAT X3597 4.716 20.692 9.496 0.00 0.00 +ATOM 12879 H2 WAT X3597 5.119 21.834 8.587 0.00 0.00 +ATOM 12880 O WAT X3598 31.018 24.840 52.972 0.00 0.00 +ATOM 12881 H1 WAT X3598 31.256 25.359 52.204 0.00 0.00 +ATOM 12882 H2 WAT X3598 30.587 25.463 53.558 0.00 0.00 +ATOM 12883 O WAT X3599 16.497 17.569 41.359 0.00 0.00 +ATOM 12884 H1 WAT X3599 17.355 17.745 40.975 0.00 0.00 +ATOM 12885 H2 WAT X3599 16.632 16.794 41.905 0.00 0.00 +ATOM 12886 O WAT X3600 60.749 4.142 39.145 0.00 0.00 +ATOM 12887 H1 WAT X3600 59.814 4.345 39.115 0.00 0.00 +ATOM 12888 H2 WAT X3600 61.145 4.899 39.575 0.00 0.00 +ATOM 12889 O WAT X3601 75.140 5.103 11.706 0.00 0.00 +ATOM 12890 H1 WAT X3601 74.391 4.761 11.218 0.00 0.00 +ATOM 12891 H2 WAT X3601 75.207 4.534 12.472 0.00 0.00 +ATOM 12892 O WAT X3602 36.931 27.810 10.860 0.00 0.00 +ATOM 12893 H1 WAT X3602 37.435 26.996 10.863 0.00 0.00 +ATOM 12894 H2 WAT X3602 37.455 28.414 10.333 0.00 0.00 +ATOM 12895 O WAT X3603 50.048 61.663 35.650 0.00 0.00 +ATOM 12896 H1 WAT X3603 50.286 62.566 35.437 0.00 0.00 +ATOM 12897 H2 WAT X3603 49.121 61.600 35.419 0.00 0.00 +ATOM 12898 O WAT X3604 26.204 2.367 25.496 0.00 0.00 +ATOM 12899 H1 WAT X3604 25.684 3.168 25.562 0.00 0.00 +ATOM 12900 H2 WAT X3604 25.684 1.790 24.936 0.00 0.00 +ATOM 12901 O WAT X3605 33.167 0.914 15.499 0.00 0.00 +ATOM 12902 H1 WAT X3605 32.795 0.893 14.617 0.00 0.00 +ATOM 12903 H2 WAT X3605 33.414 1.829 15.633 0.00 0.00 +ATOM 12904 O WAT X3606 7.807 13.479 48.761 0.00 0.00 +ATOM 12905 H1 WAT X3606 7.645 12.805 49.421 0.00 0.00 +ATOM 12906 H2 WAT X3606 8.621 13.208 48.337 0.00 0.00 +ATOM 12907 O WAT X3607 36.153 21.087 48.616 0.00 0.00 +ATOM 12908 H1 WAT X3607 36.591 21.845 48.228 0.00 0.00 +ATOM 12909 H2 WAT X3607 36.780 20.371 48.515 0.00 0.00 +ATOM 12910 O WAT X3608 54.271 43.886 19.264 0.00 0.00 +ATOM 12911 H1 WAT X3608 54.765 43.273 19.808 0.00 0.00 +ATOM 12912 H2 WAT X3608 53.694 43.331 18.740 0.00 0.00 +ATOM 12913 O WAT X3609 37.042 20.399 53.298 0.00 0.00 +ATOM 12914 H1 WAT X3609 37.133 19.457 53.444 0.00 0.00 +ATOM 12915 H2 WAT X3609 37.708 20.606 52.643 0.00 0.00 +ATOM 12916 O WAT X3610 37.972 49.047 29.643 0.00 0.00 +ATOM 12917 H1 WAT X3610 37.806 48.236 29.161 0.00 0.00 +ATOM 12918 H2 WAT X3610 38.350 48.758 30.473 0.00 0.00 +ATOM 12919 O WAT X3611 25.379 4.500 14.006 0.00 0.00 +ATOM 12920 H1 WAT X3611 26.018 4.710 14.688 0.00 0.00 +ATOM 12921 H2 WAT X3611 25.826 4.709 13.186 0.00 0.00 +ATOM 12922 O WAT X3612 2.059 34.867 42.321 0.00 0.00 +ATOM 12923 H1 WAT X3612 2.862 34.758 41.811 0.00 0.00 +ATOM 12924 H2 WAT X3612 1.390 35.078 41.670 0.00 0.00 +ATOM 12925 O WAT X3613 44.020 58.102 46.751 0.00 0.00 +ATOM 12926 H1 WAT X3613 43.566 58.034 45.911 0.00 0.00 +ATOM 12927 H2 WAT X3613 44.496 58.930 46.699 0.00 0.00 +ATOM 12928 O WAT X3614 63.139 59.729 38.168 0.00 0.00 +ATOM 12929 H1 WAT X3614 63.098 59.271 39.008 0.00 0.00 +ATOM 12930 H2 WAT X3614 62.409 60.347 38.198 0.00 0.00 +ATOM 12931 O WAT X3615 60.530 32.721 43.603 0.00 0.00 +ATOM 12932 H1 WAT X3615 61.362 33.146 43.811 0.00 0.00 +ATOM 12933 H2 WAT X3615 59.885 33.180 44.141 0.00 0.00 +ATOM 12934 O WAT X3616 34.271 48.459 22.589 0.00 0.00 +ATOM 12935 H1 WAT X3616 35.198 48.219 22.568 0.00 0.00 +ATOM 12936 H2 WAT X3616 33.871 47.816 23.175 0.00 0.00 +ATOM 12937 O WAT X3617 16.047 19.688 20.299 0.00 0.00 +ATOM 12938 H1 WAT X3617 15.679 18.813 20.176 0.00 0.00 +ATOM 12939 H2 WAT X3617 15.309 20.218 20.599 0.00 0.00 +ATOM 12940 O WAT X3618 69.032 27.589 4.231 0.00 0.00 +ATOM 12941 H1 WAT X3618 69.882 28.027 4.188 0.00 0.00 +ATOM 12942 H2 WAT X3618 69.168 26.862 4.837 0.00 0.00 +ATOM 12943 O WAT X3619 0.795 59.499 7.088 0.00 0.00 +ATOM 12944 H1 WAT X3619 1.450 60.153 6.845 0.00 0.00 +ATOM 12945 H2 WAT X3619 0.090 59.618 6.451 0.00 0.00 +ATOM 12946 O WAT X3620 66.457 17.537 49.704 0.00 0.00 +ATOM 12947 H1 WAT X3620 65.960 17.699 50.506 0.00 0.00 +ATOM 12948 H2 WAT X3620 65.822 17.662 48.999 0.00 0.00 +ATOM 12949 O WAT X3621 37.318 16.203 57.129 0.00 0.00 +ATOM 12950 H1 WAT X3621 36.774 15.962 57.879 0.00 0.00 +ATOM 12951 H2 WAT X3621 36.699 16.291 56.404 0.00 0.00 +ATOM 12952 O WAT X3622 31.012 30.427 49.598 0.00 0.00 +ATOM 12953 H1 WAT X3622 31.705 30.173 50.207 0.00 0.00 +ATOM 12954 H2 WAT X3622 30.594 29.602 49.352 0.00 0.00 +ATOM 12955 O WAT X3623 11.889 11.577 20.818 0.00 0.00 +ATOM 12956 H1 WAT X3623 11.052 11.888 20.472 0.00 0.00 +ATOM 12957 H2 WAT X3623 11.677 11.241 21.689 0.00 0.00 +ATOM 12958 O WAT X3624 8.159 0.960 16.721 0.00 0.00 +ATOM 12959 H1 WAT X3624 8.542 1.095 17.588 0.00 0.00 +ATOM 12960 H2 WAT X3624 7.229 1.154 16.837 0.00 0.00 +ATOM 12961 O WAT X3625 10.093 59.055 49.676 0.00 0.00 +ATOM 12962 H1 WAT X3625 10.043 58.661 48.805 0.00 0.00 +ATOM 12963 H2 WAT X3625 10.100 58.310 50.277 0.00 0.00 +ATOM 12964 O WAT X3626 0.897 26.063 33.169 0.00 0.00 +ATOM 12965 H1 WAT X3626 0.605 25.921 32.269 0.00 0.00 +ATOM 12966 H2 WAT X3626 1.823 26.292 33.087 0.00 0.00 +ATOM 12967 O WAT X3627 -0.243 24.812 47.242 0.00 0.00 +ATOM 12968 H1 WAT X3627 0.074 24.365 48.027 0.00 0.00 +ATOM 12969 H2 WAT X3627 0.318 24.488 46.538 0.00 0.00 +ATOM 12970 O WAT X3628 71.934 48.006 50.260 0.00 0.00 +ATOM 12971 H1 WAT X3628 72.398 48.777 50.588 0.00 0.00 +ATOM 12972 H2 WAT X3628 71.079 48.340 49.988 0.00 0.00 +ATOM 12973 O WAT X3629 75.588 14.073 11.956 0.00 0.00 +ATOM 12974 H1 WAT X3629 75.193 13.204 11.876 0.00 0.00 +ATOM 12975 H2 WAT X3629 76.147 14.153 11.183 0.00 0.00 +ATOM 12976 O WAT X3630 33.503 8.454 40.833 0.00 0.00 +ATOM 12977 H1 WAT X3630 32.609 8.276 41.124 0.00 0.00 +ATOM 12978 H2 WAT X3630 33.464 9.339 40.470 0.00 0.00 +ATOM 12979 O WAT X3631 45.884 13.226 10.732 0.00 0.00 +ATOM 12980 H1 WAT X3631 45.530 12.579 10.123 0.00 0.00 +ATOM 12981 H2 WAT X3631 46.587 12.766 11.189 0.00 0.00 +ATOM 12982 O WAT X3632 58.817 58.962 26.696 0.00 0.00 +ATOM 12983 H1 WAT X3632 59.745 59.195 26.667 0.00 0.00 +ATOM 12984 H2 WAT X3632 58.420 59.470 25.989 0.00 0.00 +ATOM 12985 O WAT X3633 53.968 8.730 8.318 0.00 0.00 +ATOM 12986 H1 WAT X3633 53.773 8.026 8.937 0.00 0.00 +ATOM 12987 H2 WAT X3633 54.691 8.392 7.790 0.00 0.00 +ATOM 12988 O WAT X3634 43.463 45.301 39.286 0.00 0.00 +ATOM 12989 H1 WAT X3634 43.273 45.159 40.213 0.00 0.00 +ATOM 12990 H2 WAT X3634 44.199 45.913 39.283 0.00 0.00 +ATOM 12991 O WAT X3635 58.205 54.242 37.799 0.00 0.00 +ATOM 12992 H1 WAT X3635 58.418 53.902 38.668 0.00 0.00 +ATOM 12993 H2 WAT X3635 58.353 53.503 37.209 0.00 0.00 +ATOM 12994 O WAT X3636 63.906 8.908 57.520 0.00 0.00 +ATOM 12995 H1 WAT X3636 64.855 8.793 57.466 0.00 0.00 +ATOM 12996 H2 WAT X3636 63.553 8.279 56.890 0.00 0.00 +ATOM 12997 O WAT X3637 2.511 62.055 2.384 0.00 0.00 +ATOM 12998 H1 WAT X3637 1.757 62.501 2.770 0.00 0.00 +ATOM 12999 H2 WAT X3637 2.232 61.144 2.296 0.00 0.00 +ATOM 13000 O WAT X3638 77.019 42.569 24.594 0.00 0.00 +ATOM 13001 H1 WAT X3638 77.139 43.118 25.369 0.00 0.00 +ATOM 13002 H2 WAT X3638 76.070 42.502 24.492 0.00 0.00 +ATOM 13003 O WAT X3639 33.930 53.551 42.721 0.00 0.00 +ATOM 13004 H1 WAT X3639 33.627 54.458 42.743 0.00 0.00 +ATOM 13005 H2 WAT X3639 33.820 53.284 41.808 0.00 0.00 +ATOM 13006 O WAT X3640 61.430 52.678 43.612 0.00 0.00 +ATOM 13007 H1 WAT X3640 62.232 52.351 44.021 0.00 0.00 +ATOM 13008 H2 WAT X3640 61.243 52.050 42.915 0.00 0.00 +ATOM 13009 O WAT X3641 35.653 59.936 12.870 0.00 0.00 +ATOM 13010 H1 WAT X3641 35.387 59.628 12.003 0.00 0.00 +ATOM 13011 H2 WAT X3641 35.647 60.891 12.797 0.00 0.00 +ATOM 13012 O WAT X3642 58.848 5.515 50.026 0.00 0.00 +ATOM 13013 H1 WAT X3642 59.034 5.479 50.964 0.00 0.00 +ATOM 13014 H2 WAT X3642 59.034 4.630 49.711 0.00 0.00 +ATOM 13015 O WAT X3643 40.911 62.489 40.741 0.00 0.00 +ATOM 13016 H1 WAT X3643 40.128 62.854 41.154 0.00 0.00 +ATOM 13017 H2 WAT X3643 40.902 61.564 40.988 0.00 0.00 +ATOM 13018 O WAT X3644 29.443 29.883 8.334 0.00 0.00 +ATOM 13019 H1 WAT X3644 30.010 30.646 8.219 0.00 0.00 +ATOM 13020 H2 WAT X3644 30.034 29.133 8.265 0.00 0.00 +ATOM 13021 O WAT X3645 3.624 43.812 32.110 0.00 0.00 +ATOM 13022 H1 WAT X3645 2.718 44.103 32.010 0.00 0.00 +ATOM 13023 H2 WAT X3645 3.996 43.883 31.231 0.00 0.00 +ATOM 13024 O WAT X3646 52.347 52.121 11.668 0.00 0.00 +ATOM 13025 H1 WAT X3646 53.154 52.368 11.217 0.00 0.00 +ATOM 13026 H2 WAT X3646 52.438 51.181 11.824 0.00 0.00 +ATOM 13027 O WAT X3647 28.278 43.641 27.443 0.00 0.00 +ATOM 13028 H1 WAT X3647 28.033 43.345 28.320 0.00 0.00 +ATOM 13029 H2 WAT X3647 29.156 44.006 27.551 0.00 0.00 +ATOM 13030 O WAT X3648 19.961 50.386 16.433 0.00 0.00 +ATOM 13031 H1 WAT X3648 19.025 50.401 16.235 0.00 0.00 +ATOM 13032 H2 WAT X3648 20.317 51.139 15.962 0.00 0.00 +ATOM 13033 O WAT X3649 31.853 48.875 16.608 0.00 0.00 +ATOM 13034 H1 WAT X3649 32.180 49.723 16.309 0.00 0.00 +ATOM 13035 H2 WAT X3649 32.537 48.253 16.360 0.00 0.00 +ATOM 13036 O WAT X3650 33.090 45.933 31.537 0.00 0.00 +ATOM 13037 H1 WAT X3650 33.190 44.999 31.720 0.00 0.00 +ATOM 13038 H2 WAT X3650 32.345 45.982 30.939 0.00 0.00 +ATOM 13039 O WAT X3651 68.751 60.207 10.371 0.00 0.00 +ATOM 13040 H1 WAT X3651 69.551 60.693 10.169 0.00 0.00 +ATOM 13041 H2 WAT X3651 68.109 60.531 9.739 0.00 0.00 +ATOM 13042 O WAT X3652 8.757 41.999 50.812 0.00 0.00 +ATOM 13043 H1 WAT X3652 8.401 41.884 49.931 0.00 0.00 +ATOM 13044 H2 WAT X3652 8.695 41.132 51.211 0.00 0.00 +ATOM 13045 O WAT X3653 50.981 57.379 1.222 0.00 0.00 +ATOM 13046 H1 WAT X3653 50.129 57.725 1.488 0.00 0.00 +ATOM 13047 H2 WAT X3653 51.072 57.645 0.307 0.00 0.00 +ATOM 13048 O WAT X3654 60.142 61.624 20.884 0.00 0.00 +ATOM 13049 H1 WAT X3654 59.776 61.582 21.767 0.00 0.00 +ATOM 13050 H2 WAT X3654 59.771 60.864 20.435 0.00 0.00 +ATOM 13051 O WAT X3655 54.910 57.188 23.386 0.00 0.00 +ATOM 13052 H1 WAT X3655 54.717 57.541 22.518 0.00 0.00 +ATOM 13053 H2 WAT X3655 54.401 57.735 23.985 0.00 0.00 +ATOM 13054 O WAT X3656 49.069 25.020 16.632 0.00 0.00 +ATOM 13055 H1 WAT X3656 48.734 24.620 17.435 0.00 0.00 +ATOM 13056 H2 WAT X3656 48.667 25.889 16.612 0.00 0.00 +ATOM 13057 O WAT X3657 15.830 36.740 18.574 0.00 0.00 +ATOM 13058 H1 WAT X3657 15.283 37.017 19.310 0.00 0.00 +ATOM 13059 H2 WAT X3657 16.584 37.328 18.601 0.00 0.00 +ATOM 13060 O WAT X3658 41.820 7.649 5.247 0.00 0.00 +ATOM 13061 H1 WAT X3658 42.252 6.950 5.738 0.00 0.00 +ATOM 13062 H2 WAT X3658 41.818 8.396 5.847 0.00 0.00 +ATOM 13063 O WAT X3659 32.265 38.177 44.818 0.00 0.00 +ATOM 13064 H1 WAT X3659 32.563 37.326 45.139 0.00 0.00 +ATOM 13065 H2 WAT X3659 32.230 38.729 45.599 0.00 0.00 +ATOM 13066 O WAT X3660 61.708 58.234 45.288 0.00 0.00 +ATOM 13067 H1 WAT X3660 62.557 58.224 44.847 0.00 0.00 +ATOM 13068 H2 WAT X3660 61.873 57.818 46.134 0.00 0.00 +ATOM 13069 O WAT X3661 64.738 56.826 36.694 0.00 0.00 +ATOM 13070 H1 WAT X3661 64.529 57.732 36.469 0.00 0.00 +ATOM 13071 H2 WAT X3661 63.932 56.482 37.078 0.00 0.00 +ATOM 13072 O WAT X3662 31.631 62.030 10.410 0.00 0.00 +ATOM 13073 H1 WAT X3662 32.172 61.278 10.169 0.00 0.00 +ATOM 13074 H2 WAT X3662 31.535 61.961 11.360 0.00 0.00 +ATOM 13075 O WAT X3663 53.893 47.875 9.778 0.00 0.00 +ATOM 13076 H1 WAT X3663 54.667 47.838 10.342 0.00 0.00 +ATOM 13077 H2 WAT X3663 53.449 47.040 9.927 0.00 0.00 +ATOM 13078 O WAT X3664 67.390 25.023 6.274 0.00 0.00 +ATOM 13079 H1 WAT X3664 66.686 25.469 6.745 0.00 0.00 +ATOM 13080 H2 WAT X3664 67.173 24.093 6.345 0.00 0.00 +ATOM 13081 O WAT X3665 16.356 16.123 8.908 0.00 0.00 +ATOM 13082 H1 WAT X3665 16.804 15.321 9.178 0.00 0.00 +ATOM 13083 H2 WAT X3665 16.238 16.616 9.720 0.00 0.00 +ATOM 13084 O WAT X3666 5.169 11.201 4.993 0.00 0.00 +ATOM 13085 H1 WAT X3666 4.757 11.095 4.135 0.00 0.00 +ATOM 13086 H2 WAT X3666 6.077 11.430 4.795 0.00 0.00 +ATOM 13087 O WAT X3667 44.784 54.948 5.672 0.00 0.00 +ATOM 13088 H1 WAT X3667 44.017 55.007 6.241 0.00 0.00 +ATOM 13089 H2 WAT X3667 45.424 54.452 6.183 0.00 0.00 +ATOM 13090 O WAT X3668 42.622 10.943 27.032 0.00 0.00 +ATOM 13091 H1 WAT X3668 42.117 11.569 27.551 0.00 0.00 +ATOM 13092 H2 WAT X3668 42.867 10.259 27.655 0.00 0.00 +ATOM 13093 O WAT X3669 51.927 53.788 23.347 0.00 0.00 +ATOM 13094 H1 WAT X3669 51.538 54.610 23.645 0.00 0.00 +ATOM 13095 H2 WAT X3669 52.871 53.942 23.384 0.00 0.00 +ATOM 13096 O WAT X3670 40.877 35.710 38.785 0.00 0.00 +ATOM 13097 H1 WAT X3670 41.817 35.870 38.697 0.00 0.00 +ATOM 13098 H2 WAT X3670 40.712 34.949 38.228 0.00 0.00 +ATOM 13099 O WAT X3671 58.999 5.342 52.819 0.00 0.00 +ATOM 13100 H1 WAT X3671 58.281 5.886 53.140 0.00 0.00 +ATOM 13101 H2 WAT X3671 58.777 4.457 53.109 0.00 0.00 +ATOM 13102 O WAT X3672 24.233 52.083 20.929 0.00 0.00 +ATOM 13103 H1 WAT X3672 24.056 52.552 21.745 0.00 0.00 +ATOM 13104 H2 WAT X3672 25.093 51.684 21.064 0.00 0.00 +ATOM 13105 O WAT X3673 59.113 20.735 40.403 0.00 0.00 +ATOM 13106 H1 WAT X3673 58.479 20.331 40.995 0.00 0.00 +ATOM 13107 H2 WAT X3673 59.236 20.090 39.707 0.00 0.00 +ATOM 13108 O WAT X3674 48.510 58.608 8.681 0.00 0.00 +ATOM 13109 H1 WAT X3674 48.796 57.939 8.059 0.00 0.00 +ATOM 13110 H2 WAT X3674 48.351 58.128 9.494 0.00 0.00 +ATOM 13111 O WAT X3675 38.054 15.472 9.021 0.00 0.00 +ATOM 13112 H1 WAT X3675 38.443 15.923 8.272 0.00 0.00 +ATOM 13113 H2 WAT X3675 37.265 15.976 9.221 0.00 0.00 +ATOM 13114 O WAT X3676 69.111 23.537 55.884 0.00 0.00 +ATOM 13115 H1 WAT X3676 69.105 23.214 56.785 0.00 0.00 +ATOM 13116 H2 WAT X3676 68.190 23.706 55.685 0.00 0.00 +ATOM 13117 O WAT X3677 15.648 36.495 35.166 0.00 0.00 +ATOM 13118 H1 WAT X3677 15.369 35.582 35.242 0.00 0.00 +ATOM 13119 H2 WAT X3677 15.081 36.863 34.488 0.00 0.00 +ATOM 13120 O WAT X3678 35.827 34.621 12.942 0.00 0.00 +ATOM 13121 H1 WAT X3678 35.964 35.204 13.689 0.00 0.00 +ATOM 13122 H2 WAT X3678 35.185 33.982 13.252 0.00 0.00 +ATOM 13123 O WAT X3679 73.022 60.012 7.728 0.00 0.00 +ATOM 13124 H1 WAT X3679 73.910 59.787 8.002 0.00 0.00 +ATOM 13125 H2 WAT X3679 72.573 59.170 7.652 0.00 0.00 +ATOM 13126 O WAT X3680 24.555 10.803 21.509 0.00 0.00 +ATOM 13127 H1 WAT X3680 24.402 9.860 21.575 0.00 0.00 +ATOM 13128 H2 WAT X3680 24.065 11.071 20.732 0.00 0.00 +ATOM 13129 O WAT X3681 43.632 33.032 49.283 0.00 0.00 +ATOM 13130 H1 WAT X3681 42.803 32.798 49.700 0.00 0.00 +ATOM 13131 H2 WAT X3681 44.300 32.784 49.923 0.00 0.00 +ATOM 13132 O WAT X3682 37.866 53.164 48.855 0.00 0.00 +ATOM 13133 H1 WAT X3682 37.752 53.448 47.948 0.00 0.00 +ATOM 13134 H2 WAT X3682 36.981 53.169 49.220 0.00 0.00 +ATOM 13135 O WAT X3683 77.117 61.598 2.155 0.00 0.00 +ATOM 13136 H1 WAT X3683 76.189 61.425 2.315 0.00 0.00 +ATOM 13137 H2 WAT X3683 77.136 62.037 1.304 0.00 0.00 +ATOM 13138 O WAT X3684 58.204 33.202 12.567 0.00 0.00 +ATOM 13139 H1 WAT X3684 58.535 33.172 13.465 0.00 0.00 +ATOM 13140 H2 WAT X3684 57.994 32.292 12.359 0.00 0.00 +ATOM 13141 O WAT X3685 8.844 35.222 29.260 0.00 0.00 +ATOM 13142 H1 WAT X3685 7.920 34.983 29.337 0.00 0.00 +ATOM 13143 H2 WAT X3685 8.883 35.778 28.482 0.00 0.00 +ATOM 13144 O WAT X3686 43.539 50.305 0.662 0.00 0.00 +ATOM 13145 H1 WAT X3686 42.845 50.640 0.094 0.00 0.00 +ATOM 13146 H2 WAT X3686 43.238 49.434 0.921 0.00 0.00 +ATOM 13147 O WAT X3687 77.310 29.739 17.564 0.00 0.00 +ATOM 13148 H1 WAT X3687 76.700 30.431 17.309 0.00 0.00 +ATOM 13149 H2 WAT X3687 76.927 28.938 17.208 0.00 0.00 +ATOM 13150 O WAT X3688 72.289 53.280 35.821 0.00 0.00 +ATOM 13151 H1 WAT X3688 72.088 54.153 36.156 0.00 0.00 +ATOM 13152 H2 WAT X3688 71.518 52.756 36.038 0.00 0.00 +ATOM 13153 O WAT X3689 53.025 61.739 10.827 0.00 0.00 +ATOM 13154 H1 WAT X3689 53.503 61.574 10.015 0.00 0.00 +ATOM 13155 H2 WAT X3689 53.655 61.543 11.520 0.00 0.00 +ATOM 13156 O WAT X3690 57.026 0.313 41.462 0.00 0.00 +ATOM 13157 H1 WAT X3690 57.005 -0.214 40.664 0.00 0.00 +ATOM 13158 H2 WAT X3690 56.420 1.034 41.288 0.00 0.00 +ATOM 13159 O WAT X3691 30.403 60.832 50.060 0.00 0.00 +ATOM 13160 H1 WAT X3691 30.827 61.563 50.509 0.00 0.00 +ATOM 13161 H2 WAT X3691 30.940 60.686 49.281 0.00 0.00 +ATOM 13162 O WAT X3692 35.853 61.538 9.300 0.00 0.00 +ATOM 13163 H1 WAT X3692 36.678 61.763 8.870 0.00 0.00 +ATOM 13164 H2 WAT X3692 35.793 62.147 10.036 0.00 0.00 +ATOM 13165 O WAT X3693 6.326 35.953 49.830 0.00 0.00 +ATOM 13166 H1 WAT X3693 6.782 36.276 50.606 0.00 0.00 +ATOM 13167 H2 WAT X3693 6.145 36.738 49.314 0.00 0.00 +ATOM 13168 O WAT X3694 25.297 17.300 1.442 0.00 0.00 +ATOM 13169 H1 WAT X3694 25.218 16.931 2.322 0.00 0.00 +ATOM 13170 H2 WAT X3694 24.868 18.154 1.501 0.00 0.00 +ATOM 13171 O WAT X3695 15.070 15.319 53.406 0.00 0.00 +ATOM 13172 H1 WAT X3695 15.788 15.860 53.734 0.00 0.00 +ATOM 13173 H2 WAT X3695 14.403 15.947 53.129 0.00 0.00 +ATOM 13174 O WAT X3696 14.161 60.824 40.175 0.00 0.00 +ATOM 13175 H1 WAT X3696 14.903 60.225 40.094 0.00 0.00 +ATOM 13176 H2 WAT X3696 14.333 61.508 39.529 0.00 0.00 +ATOM 13177 O WAT X3697 6.929 14.590 0.222 0.00 0.00 +ATOM 13178 H1 WAT X3697 7.647 14.882 0.783 0.00 0.00 +ATOM 13179 H2 WAT X3697 6.344 15.346 0.170 0.00 0.00 +ATOM 13180 O WAT X3698 11.686 7.231 45.666 0.00 0.00 +ATOM 13181 H1 WAT X3698 10.763 7.000 45.568 0.00 0.00 +ATOM 13182 H2 WAT X3698 11.684 8.181 45.786 0.00 0.00 +ATOM 13183 O WAT X3699 22.314 62.359 42.579 0.00 0.00 +ATOM 13184 H1 WAT X3699 22.811 63.097 42.226 0.00 0.00 +ATOM 13185 H2 WAT X3699 22.972 61.807 43.002 0.00 0.00 +ATOM 13186 O WAT X3700 40.399 44.620 39.461 0.00 0.00 +ATOM 13187 H1 WAT X3700 41.328 44.509 39.660 0.00 0.00 +ATOM 13188 H2 WAT X3700 40.321 45.531 39.176 0.00 0.00 +ATOM 13189 O WAT X3701 40.346 57.517 2.294 0.00 0.00 +ATOM 13190 H1 WAT X3701 39.962 57.868 1.491 0.00 0.00 +ATOM 13191 H2 WAT X3701 39.596 57.225 2.811 0.00 0.00 +ATOM 13192 O WAT X3702 66.353 48.056 58.072 0.00 0.00 +ATOM 13193 H1 WAT X3702 65.396 48.027 58.074 0.00 0.00 +ATOM 13194 H2 WAT X3702 66.620 47.141 58.162 0.00 0.00 +ATOM 13195 O WAT X3703 52.771 24.209 7.468 0.00 0.00 +ATOM 13196 H1 WAT X3703 52.927 25.150 7.550 0.00 0.00 +ATOM 13197 H2 WAT X3703 53.461 23.902 6.880 0.00 0.00 +ATOM 13198 O WAT X3704 18.457 43.108 13.347 0.00 0.00 +ATOM 13199 H1 WAT X3704 18.957 42.771 12.603 0.00 0.00 +ATOM 13200 H2 WAT X3704 17.877 42.387 13.591 0.00 0.00 +ATOM 13201 O WAT X3705 57.204 14.342 25.605 0.00 0.00 +ATOM 13202 H1 WAT X3705 56.982 14.461 24.682 0.00 0.00 +ATOM 13203 H2 WAT X3705 56.361 14.357 26.058 0.00 0.00 +ATOM 13204 O WAT X3706 29.501 6.560 5.977 0.00 0.00 +ATOM 13205 H1 WAT X3706 30.265 5.985 6.021 0.00 0.00 +ATOM 13206 H2 WAT X3706 29.158 6.435 5.092 0.00 0.00 +ATOM 13207 O WAT X3707 61.869 58.728 33.013 0.00 0.00 +ATOM 13208 H1 WAT X3707 61.456 57.866 32.968 0.00 0.00 +ATOM 13209 H2 WAT X3707 62.162 58.900 32.118 0.00 0.00 +ATOM 13210 O WAT X3708 39.985 4.408 37.955 0.00 0.00 +ATOM 13211 H1 WAT X3708 40.544 5.160 37.759 0.00 0.00 +ATOM 13212 H2 WAT X3708 39.126 4.789 38.138 0.00 0.00 +ATOM 13213 O WAT X3709 47.995 17.675 29.779 0.00 0.00 +ATOM 13214 H1 WAT X3709 48.854 17.451 30.136 0.00 0.00 +ATOM 13215 H2 WAT X3709 47.445 17.819 30.549 0.00 0.00 +ATOM 13216 O WAT X3710 34.872 60.685 24.157 0.00 0.00 +ATOM 13217 H1 WAT X3710 34.171 60.118 24.477 0.00 0.00 +ATOM 13218 H2 WAT X3710 34.761 60.692 23.206 0.00 0.00 +ATOM 13219 O WAT X3711 34.034 7.824 2.302 0.00 0.00 +ATOM 13220 H1 WAT X3711 34.308 8.688 2.609 0.00 0.00 +ATOM 13221 H2 WAT X3711 33.305 8.001 1.708 0.00 0.00 +ATOM 13222 O WAT X3712 73.692 15.946 54.804 0.00 0.00 +ATOM 13223 H1 WAT X3712 74.024 15.388 55.507 0.00 0.00 +ATOM 13224 H2 WAT X3712 74.422 16.016 54.188 0.00 0.00 +ATOM 13225 O WAT X3713 1.288 26.653 40.913 0.00 0.00 +ATOM 13226 H1 WAT X3713 1.307 25.697 40.870 0.00 0.00 +ATOM 13227 H2 WAT X3713 1.382 26.935 40.003 0.00 0.00 +ATOM 13228 O WAT X3714 56.663 54.065 21.133 0.00 0.00 +ATOM 13229 H1 WAT X3714 57.551 54.059 21.491 0.00 0.00 +ATOM 13230 H2 WAT X3714 56.783 54.236 20.199 0.00 0.00 +ATOM 13231 O WAT X3715 2.247 19.478 7.650 0.00 0.00 +ATOM 13232 H1 WAT X3715 1.668 18.817 7.269 0.00 0.00 +ATOM 13233 H2 WAT X3715 2.429 19.155 8.533 0.00 0.00 +ATOM 13234 O WAT X3716 28.040 29.421 47.267 0.00 0.00 +ATOM 13235 H1 WAT X3716 28.457 28.846 47.909 0.00 0.00 +ATOM 13236 H2 WAT X3716 27.182 29.618 47.643 0.00 0.00 +ATOM 13237 O WAT X3717 28.702 44.120 33.222 0.00 0.00 +ATOM 13238 H1 WAT X3717 28.289 44.854 32.767 0.00 0.00 +ATOM 13239 H2 WAT X3717 28.021 43.786 33.806 0.00 0.00 +ATOM 13240 O WAT X3718 76.885 32.508 7.988 0.00 0.00 +ATOM 13241 H1 WAT X3718 76.785 32.355 7.048 0.00 0.00 +ATOM 13242 H2 WAT X3718 77.353 31.737 8.308 0.00 0.00 +ATOM 13243 O WAT X3719 37.231 2.343 51.240 0.00 0.00 +ATOM 13244 H1 WAT X3719 38.086 1.919 51.318 0.00 0.00 +ATOM 13245 H2 WAT X3719 37.259 3.058 51.876 0.00 0.00 +ATOM 13246 O WAT X3720 54.664 51.212 47.504 0.00 0.00 +ATOM 13247 H1 WAT X3720 55.003 51.218 46.609 0.00 0.00 +ATOM 13248 H2 WAT X3720 53.738 50.988 47.408 0.00 0.00 +ATOM 13249 O WAT X3721 3.252 29.023 14.497 0.00 0.00 +ATOM 13250 H1 WAT X3721 3.971 29.644 14.617 0.00 0.00 +ATOM 13251 H2 WAT X3721 3.232 28.521 15.311 0.00 0.00 +ATOM 13252 O WAT X3722 63.516 41.417 22.335 0.00 0.00 +ATOM 13253 H1 WAT X3722 63.350 41.421 21.392 0.00 0.00 +ATOM 13254 H2 WAT X3722 64.069 42.184 22.484 0.00 0.00 +ATOM 13255 O WAT X3723 70.312 54.828 27.437 0.00 0.00 +ATOM 13256 H1 WAT X3723 70.883 55.415 27.934 0.00 0.00 +ATOM 13257 H2 WAT X3723 70.226 55.247 26.580 0.00 0.00 +ATOM 13258 O WAT X3724 47.080 47.645 20.630 0.00 0.00 +ATOM 13259 H1 WAT X3724 46.246 48.029 20.901 0.00 0.00 +ATOM 13260 H2 WAT X3724 46.928 47.350 19.733 0.00 0.00 +ATOM 13261 O WAT X3725 29.497 34.087 40.819 0.00 0.00 +ATOM 13262 H1 WAT X3725 28.764 34.555 40.418 0.00 0.00 +ATOM 13263 H2 WAT X3725 30.266 34.612 40.597 0.00 0.00 +ATOM 13264 O WAT X3726 40.587 11.167 7.694 0.00 0.00 +ATOM 13265 H1 WAT X3726 40.604 11.700 6.900 0.00 0.00 +ATOM 13266 H2 WAT X3726 40.039 10.416 7.467 0.00 0.00 +ATOM 13267 O WAT X3727 26.475 0.397 40.265 0.00 0.00 +ATOM 13268 H1 WAT X3727 26.425 0.150 41.188 0.00 0.00 +ATOM 13269 H2 WAT X3727 27.413 0.457 40.083 0.00 0.00 +ATOM 13270 O WAT X3728 33.119 45.465 48.411 0.00 0.00 +ATOM 13271 H1 WAT X3728 33.961 45.197 48.778 0.00 0.00 +ATOM 13272 H2 WAT X3728 33.332 45.795 47.538 0.00 0.00 +ATOM 13273 O WAT X3729 62.816 44.191 15.855 0.00 0.00 +ATOM 13274 H1 WAT X3729 63.035 43.386 15.386 0.00 0.00 +ATOM 13275 H2 WAT X3729 63.538 44.311 16.473 0.00 0.00 +ATOM 13276 O WAT X3730 5.405 31.436 33.572 0.00 0.00 +ATOM 13277 H1 WAT X3730 4.525 31.602 33.235 0.00 0.00 +ATOM 13278 H2 WAT X3730 5.602 30.541 33.298 0.00 0.00 +ATOM 13279 O WAT X3731 26.349 50.443 21.315 0.00 0.00 +ATOM 13280 H1 WAT X3731 25.647 49.926 21.709 0.00 0.00 +ATOM 13281 H2 WAT X3731 26.950 50.621 22.038 0.00 0.00 +ATOM 13282 O WAT X3732 69.419 38.666 0.035 0.00 0.00 +ATOM 13283 H1 WAT X3732 69.443 38.562 0.987 0.00 0.00 +ATOM 13284 H2 WAT X3732 69.652 39.583 -0.111 0.00 0.00 +ATOM 13285 O WAT X3733 48.047 44.309 12.669 0.00 0.00 +ATOM 13286 H1 WAT X3733 48.288 43.603 13.268 0.00 0.00 +ATOM 13287 H2 WAT X3733 47.103 44.208 12.547 0.00 0.00 +ATOM 13288 O WAT X3734 7.575 4.335 46.383 0.00 0.00 +ATOM 13289 H1 WAT X3734 6.740 4.761 46.576 0.00 0.00 +ATOM 13290 H2 WAT X3734 7.473 3.444 46.719 0.00 0.00 +ATOM 13291 O WAT X3735 23.230 11.936 18.634 0.00 0.00 +ATOM 13292 H1 WAT X3735 22.843 11.296 18.036 0.00 0.00 +ATOM 13293 H2 WAT X3735 23.902 12.375 18.112 0.00 0.00 +ATOM 13294 O WAT X3736 74.723 16.126 40.759 0.00 0.00 +ATOM 13295 H1 WAT X3736 74.335 16.986 40.925 0.00 0.00 +ATOM 13296 H2 WAT X3736 74.363 15.861 39.912 0.00 0.00 +ATOM 13297 O WAT X3737 21.385 35.498 5.936 0.00 0.00 +ATOM 13298 H1 WAT X3737 21.707 36.116 5.280 0.00 0.00 +ATOM 13299 H2 WAT X3737 22.102 35.422 6.566 0.00 0.00 +ATOM 13300 O WAT X3738 73.578 42.858 8.311 0.00 0.00 +ATOM 13301 H1 WAT X3738 73.036 43.634 8.454 0.00 0.00 +ATOM 13302 H2 WAT X3738 74.476 43.190 8.302 0.00 0.00 +ATOM 13303 O WAT X3739 28.710 22.242 44.002 0.00 0.00 +ATOM 13304 H1 WAT X3739 29.320 22.489 43.307 0.00 0.00 +ATOM 13305 H2 WAT X3739 29.256 21.811 44.659 0.00 0.00 +ATOM 13306 O WAT X3740 22.721 6.060 37.770 0.00 0.00 +ATOM 13307 H1 WAT X3740 22.396 5.318 38.280 0.00 0.00 +ATOM 13308 H2 WAT X3740 23.491 6.362 38.252 0.00 0.00 +ATOM 13309 O WAT X3741 27.642 0.302 11.977 0.00 0.00 +ATOM 13310 H1 WAT X3741 27.460 -0.599 11.711 0.00 0.00 +ATOM 13311 H2 WAT X3741 27.488 0.821 11.187 0.00 0.00 +ATOM 13312 O WAT X3742 37.623 6.438 28.174 0.00 0.00 +ATOM 13313 H1 WAT X3742 37.878 7.023 28.887 0.00 0.00 +ATOM 13314 H2 WAT X3742 37.021 5.814 28.580 0.00 0.00 +ATOM 13315 O WAT X3743 64.364 3.450 28.993 0.00 0.00 +ATOM 13316 H1 WAT X3743 64.706 3.290 28.113 0.00 0.00 +ATOM 13317 H2 WAT X3743 64.986 4.063 29.384 0.00 0.00 +ATOM 13318 O WAT X3744 13.540 22.258 50.725 0.00 0.00 +ATOM 13319 H1 WAT X3744 13.349 21.338 50.546 0.00 0.00 +ATOM 13320 H2 WAT X3744 14.260 22.235 51.355 0.00 0.00 +ATOM 13321 O WAT X3745 15.549 41.452 33.660 0.00 0.00 +ATOM 13322 H1 WAT X3745 16.064 42.187 33.327 0.00 0.00 +ATOM 13323 H2 WAT X3745 15.967 41.224 34.490 0.00 0.00 +ATOM 13324 O WAT X3746 46.454 58.892 12.460 0.00 0.00 +ATOM 13325 H1 WAT X3746 46.542 59.209 13.359 0.00 0.00 +ATOM 13326 H2 WAT X3746 45.520 58.975 12.267 0.00 0.00 +ATOM 13327 O WAT X3747 33.749 20.374 7.051 0.00 0.00 +ATOM 13328 H1 WAT X3747 33.988 19.531 7.438 0.00 0.00 +ATOM 13329 H2 WAT X3747 34.577 20.733 6.731 0.00 0.00 +ATOM 13330 O WAT X3748 28.358 48.093 52.730 0.00 0.00 +ATOM 13331 H1 WAT X3748 28.093 47.202 52.505 0.00 0.00 +ATOM 13332 H2 WAT X3748 29.312 48.050 52.799 0.00 0.00 +ATOM 13333 O WAT X3749 65.221 14.203 41.189 0.00 0.00 +ATOM 13334 H1 WAT X3749 64.875 14.952 41.674 0.00 0.00 +ATOM 13335 H2 WAT X3749 64.622 14.099 40.450 0.00 0.00 +ATOM 13336 O WAT X3750 42.201 2.149 49.772 0.00 0.00 +ATOM 13337 H1 WAT X3750 42.487 3.059 49.855 0.00 0.00 +ATOM 13338 H2 WAT X3750 41.552 2.165 49.069 0.00 0.00 +ATOM 13339 O WAT X3751 75.122 59.669 10.388 0.00 0.00 +ATOM 13340 H1 WAT X3751 75.566 58.847 10.182 0.00 0.00 +ATOM 13341 H2 WAT X3751 74.558 59.457 11.132 0.00 0.00 +ATOM 13342 O WAT X3752 19.328 48.232 35.138 0.00 0.00 +ATOM 13343 H1 WAT X3752 18.631 48.050 35.768 0.00 0.00 +ATOM 13344 H2 WAT X3752 19.092 47.719 34.365 0.00 0.00 +ATOM 13345 O WAT X3753 46.277 52.934 55.109 0.00 0.00 +ATOM 13346 H1 WAT X3753 47.078 53.388 55.370 0.00 0.00 +ATOM 13347 H2 WAT X3753 46.154 52.261 55.780 0.00 0.00 +ATOM 13348 O WAT X3754 74.276 20.503 8.759 0.00 0.00 +ATOM 13349 H1 WAT X3754 73.640 20.383 8.054 0.00 0.00 +ATOM 13350 H2 WAT X3754 74.024 19.859 9.421 0.00 0.00 +ATOM 13351 O WAT X3755 25.095 30.640 6.702 0.00 0.00 +ATOM 13352 H1 WAT X3755 25.892 30.880 7.174 0.00 0.00 +ATOM 13353 H2 WAT X3755 24.823 29.812 7.098 0.00 0.00 +ATOM 13354 O WAT X3756 23.807 15.712 17.427 0.00 0.00 +ATOM 13355 H1 WAT X3756 24.360 14.956 17.226 0.00 0.00 +ATOM 13356 H2 WAT X3756 23.434 15.513 18.286 0.00 0.00 +ATOM 13357 O WAT X3757 40.276 16.835 27.880 0.00 0.00 +ATOM 13358 H1 WAT X3757 40.764 17.457 27.340 0.00 0.00 +ATOM 13359 H2 WAT X3757 40.135 17.295 28.707 0.00 0.00 +ATOM 13360 O WAT X3758 42.589 59.175 2.325 0.00 0.00 +ATOM 13361 H1 WAT X3758 41.949 58.645 1.850 0.00 0.00 +ATOM 13362 H2 WAT X3758 42.089 59.573 3.037 0.00 0.00 +ATOM 13363 O WAT X3759 38.564 50.743 10.842 0.00 0.00 +ATOM 13364 H1 WAT X3759 38.873 51.171 11.641 0.00 0.00 +ATOM 13365 H2 WAT X3759 37.666 51.056 10.735 0.00 0.00 +ATOM 13366 O WAT X3760 19.289 8.711 24.346 0.00 0.00 +ATOM 13367 H1 WAT X3760 20.021 8.232 24.734 0.00 0.00 +ATOM 13368 H2 WAT X3760 18.932 8.113 23.690 0.00 0.00 +ATOM 13369 O WAT X3761 61.149 8.613 46.337 0.00 0.00 +ATOM 13370 H1 WAT X3761 61.332 7.866 46.908 0.00 0.00 +ATOM 13371 H2 WAT X3761 60.890 8.219 45.504 0.00 0.00 +ATOM 13372 O WAT X3762 39.622 48.379 8.469 0.00 0.00 +ATOM 13373 H1 WAT X3762 39.982 49.258 8.588 0.00 0.00 +ATOM 13374 H2 WAT X3762 40.368 47.794 8.602 0.00 0.00 +ATOM 13375 O WAT X3763 14.712 2.441 27.542 0.00 0.00 +ATOM 13376 H1 WAT X3763 14.417 3.066 28.204 0.00 0.00 +ATOM 13377 H2 WAT X3763 14.691 1.594 27.986 0.00 0.00 +ATOM 13378 O WAT X3764 51.876 21.377 36.337 0.00 0.00 +ATOM 13379 H1 WAT X3764 51.902 20.450 36.101 0.00 0.00 +ATOM 13380 H2 WAT X3764 52.796 21.631 36.414 0.00 0.00 +ATOM 13381 O WAT X3765 68.375 10.596 51.163 0.00 0.00 +ATOM 13382 H1 WAT X3765 67.759 10.349 51.854 0.00 0.00 +ATOM 13383 H2 WAT X3765 68.007 11.398 50.791 0.00 0.00 +ATOM 13384 O WAT X3766 2.701 10.114 25.716 0.00 0.00 +ATOM 13385 H1 WAT X3766 3.480 10.495 26.120 0.00 0.00 +ATOM 13386 H2 WAT X3766 2.967 9.228 25.471 0.00 0.00 +ATOM 13387 O WAT X3767 44.270 27.925 44.004 0.00 0.00 +ATOM 13388 H1 WAT X3767 43.837 27.764 43.166 0.00 0.00 +ATOM 13389 H2 WAT X3767 43.830 27.338 44.618 0.00 0.00 +ATOM 13390 O WAT X3768 55.444 41.346 2.879 0.00 0.00 +ATOM 13391 H1 WAT X3768 55.838 42.105 3.308 0.00 0.00 +ATOM 13392 H2 WAT X3768 56.122 40.671 2.915 0.00 0.00 +ATOM 13393 O WAT X3769 64.691 14.932 13.739 0.00 0.00 +ATOM 13394 H1 WAT X3769 65.539 15.113 13.332 0.00 0.00 +ATOM 13395 H2 WAT X3769 64.775 15.274 14.629 0.00 0.00 +ATOM 13396 O WAT X3770 40.729 59.987 41.677 0.00 0.00 +ATOM 13397 H1 WAT X3770 41.197 59.154 41.621 0.00 0.00 +ATOM 13398 H2 WAT X3770 40.023 59.824 42.303 0.00 0.00 +ATOM 13399 O WAT X3771 47.167 0.379 12.224 0.00 0.00 +ATOM 13400 H1 WAT X3771 47.495 -0.431 11.834 0.00 0.00 +ATOM 13401 H2 WAT X3771 46.971 0.146 13.131 0.00 0.00 +ATOM 13402 O WAT X3772 9.428 0.965 14.189 0.00 0.00 +ATOM 13403 H1 WAT X3772 10.290 0.558 14.099 0.00 0.00 +ATOM 13404 H2 WAT X3772 9.291 1.030 15.134 0.00 0.00 +ATOM 13405 O WAT X3773 48.452 50.033 53.348 0.00 0.00 +ATOM 13406 H1 WAT X3773 49.240 50.046 52.805 0.00 0.00 +ATOM 13407 H2 WAT X3773 48.780 50.034 54.247 0.00 0.00 +ATOM 13408 O WAT X3774 4.022 48.273 47.464 0.00 0.00 +ATOM 13409 H1 WAT X3774 3.447 48.871 47.942 0.00 0.00 +ATOM 13410 H2 WAT X3774 4.179 48.710 46.627 0.00 0.00 +ATOM 13411 O WAT X3775 56.714 45.294 15.446 0.00 0.00 +ATOM 13412 H1 WAT X3775 56.313 45.506 16.289 0.00 0.00 +ATOM 13413 H2 WAT X3775 57.141 46.105 15.172 0.00 0.00 +ATOM 13414 O WAT X3776 44.860 50.808 33.876 0.00 0.00 +ATOM 13415 H1 WAT X3776 44.164 50.184 33.671 0.00 0.00 +ATOM 13416 H2 WAT X3776 45.093 51.194 33.031 0.00 0.00 +ATOM 13417 O WAT X3777 19.039 51.635 6.079 0.00 0.00 +ATOM 13418 H1 WAT X3777 19.475 50.904 5.642 0.00 0.00 +ATOM 13419 H2 WAT X3777 19.039 52.338 5.428 0.00 0.00 +ATOM 13420 O WAT X3778 33.442 60.987 7.969 0.00 0.00 +ATOM 13421 H1 WAT X3778 34.102 61.083 8.655 0.00 0.00 +ATOM 13422 H2 WAT X3778 32.870 61.746 8.078 0.00 0.00 +ATOM 13423 O WAT X3779 40.314 53.620 7.693 0.00 0.00 +ATOM 13424 H1 WAT X3779 39.807 54.422 7.818 0.00 0.00 +ATOM 13425 H2 WAT X3779 39.655 52.936 7.574 0.00 0.00 +ATOM 13426 O WAT X3780 8.738 2.458 9.207 0.00 0.00 +ATOM 13427 H1 WAT X3780 8.227 2.084 9.925 0.00 0.00 +ATOM 13428 H2 WAT X3780 8.909 3.359 9.479 0.00 0.00 +ATOM 13429 O WAT X3781 29.864 23.458 18.492 0.00 0.00 +ATOM 13430 H1 WAT X3781 29.709 24.358 18.779 0.00 0.00 +ATOM 13431 H2 WAT X3781 30.437 23.546 17.729 0.00 0.00 +ATOM 13432 O WAT X3782 50.975 18.114 27.943 0.00 0.00 +ATOM 13433 H1 WAT X3782 50.355 17.387 27.887 0.00 0.00 +ATOM 13434 H2 WAT X3782 51.451 17.961 28.759 0.00 0.00 +ATOM 13435 O WAT X3783 56.459 16.171 45.693 0.00 0.00 +ATOM 13436 H1 WAT X3783 57.059 15.659 45.151 0.00 0.00 +ATOM 13437 H2 WAT X3783 55.827 16.535 45.073 0.00 0.00 +ATOM 13438 O WAT X3784 29.249 39.842 10.506 0.00 0.00 +ATOM 13439 H1 WAT X3784 29.149 39.251 11.252 0.00 0.00 +ATOM 13440 H2 WAT X3784 28.448 39.722 9.996 0.00 0.00 +ATOM 13441 O WAT X3785 63.891 3.083 32.873 0.00 0.00 +ATOM 13442 H1 WAT X3785 64.469 2.335 33.021 0.00 0.00 +ATOM 13443 H2 WAT X3785 63.703 3.418 33.750 0.00 0.00 +ATOM 13444 O WAT X3786 59.486 8.883 2.598 0.00 0.00 +ATOM 13445 H1 WAT X3786 59.369 9.461 3.352 0.00 0.00 +ATOM 13446 H2 WAT X3786 59.653 9.477 1.866 0.00 0.00 +ATOM 13447 O WAT X3787 56.371 1.052 21.118 0.00 0.00 +ATOM 13448 H1 WAT X3787 57.028 0.358 21.069 0.00 0.00 +ATOM 13449 H2 WAT X3787 56.483 1.545 20.305 0.00 0.00 +ATOM 13450 O WAT X3788 48.416 51.114 43.199 0.00 0.00 +ATOM 13451 H1 WAT X3788 48.584 50.992 44.133 0.00 0.00 +ATOM 13452 H2 WAT X3788 47.589 50.658 43.043 0.00 0.00 +ATOM 13453 O WAT X3789 49.774 58.268 5.712 0.00 0.00 +ATOM 13454 H1 WAT X3789 48.883 58.464 6.001 0.00 0.00 +ATOM 13455 H2 WAT X3789 49.727 57.370 5.382 0.00 0.00 +ATOM 13456 O WAT X3790 10.985 43.284 50.395 0.00 0.00 +ATOM 13457 H1 WAT X3790 10.799 44.144 50.772 0.00 0.00 +ATOM 13458 H2 WAT X3790 10.163 42.801 50.480 0.00 0.00 +ATOM 13459 O WAT X3791 16.494 49.752 19.791 0.00 0.00 +ATOM 13460 H1 WAT X3791 15.688 49.588 20.282 0.00 0.00 +ATOM 13461 H2 WAT X3791 16.197 50.123 18.960 0.00 0.00 +ATOM 13462 O WAT X3792 22.845 51.707 36.563 0.00 0.00 +ATOM 13463 H1 WAT X3792 22.008 51.659 37.024 0.00 0.00 +ATOM 13464 H2 WAT X3792 22.786 51.030 35.889 0.00 0.00 +ATOM 13465 O WAT X3793 37.245 48.045 45.798 0.00 0.00 +ATOM 13466 H1 WAT X3793 37.804 48.763 45.501 0.00 0.00 +ATOM 13467 H2 WAT X3793 37.663 47.257 45.451 0.00 0.00 +ATOM 13468 O WAT X3794 50.497 6.105 54.139 0.00 0.00 +ATOM 13469 H1 WAT X3794 50.139 6.240 53.262 0.00 0.00 +ATOM 13470 H2 WAT X3794 50.252 5.207 54.362 0.00 0.00 +ATOM 13471 O WAT X3795 28.371 22.464 10.612 0.00 0.00 +ATOM 13472 H1 WAT X3795 28.775 23.108 11.194 0.00 0.00 +ATOM 13473 H2 WAT X3795 28.905 22.490 9.819 0.00 0.00 +ATOM 13474 O WAT X3796 5.620 53.410 5.422 0.00 0.00 +ATOM 13475 H1 WAT X3796 4.709 53.423 5.128 0.00 0.00 +ATOM 13476 H2 WAT X3796 5.567 53.533 6.370 0.00 0.00 +ATOM 13477 O WAT X3797 70.750 44.651 17.960 0.00 0.00 +ATOM 13478 H1 WAT X3797 70.760 44.819 18.903 0.00 0.00 +ATOM 13479 H2 WAT X3797 70.568 45.504 17.567 0.00 0.00 +ATOM 13480 O WAT X3798 10.268 42.616 3.105 0.00 0.00 +ATOM 13481 H1 WAT X3798 9.899 42.011 3.748 0.00 0.00 +ATOM 13482 H2 WAT X3798 9.557 42.768 2.483 0.00 0.00 +ATOM 13483 O WAT X3799 59.349 20.486 56.568 0.00 0.00 +ATOM 13484 H1 WAT X3799 58.898 20.703 55.752 0.00 0.00 +ATOM 13485 H2 WAT X3799 59.622 21.332 56.922 0.00 0.00 +ATOM 13486 O WAT X3800 44.021 46.308 51.548 0.00 0.00 +ATOM 13487 H1 WAT X3800 44.144 47.187 51.190 0.00 0.00 +ATOM 13488 H2 WAT X3800 43.862 46.449 52.481 0.00 0.00 +ATOM 13489 O WAT X3801 0.221 51.176 31.932 0.00 0.00 +ATOM 13490 H1 WAT X3801 0.476 50.997 31.027 0.00 0.00 +ATOM 13491 H2 WAT X3801 0.723 50.548 32.451 0.00 0.00 +ATOM 13492 O WAT X3802 17.745 33.304 19.521 0.00 0.00 +ATOM 13493 H1 WAT X3802 17.779 32.384 19.259 0.00 0.00 +ATOM 13494 H2 WAT X3802 16.860 33.421 19.868 0.00 0.00 +ATOM 13495 O WAT X3803 49.774 46.664 56.441 0.00 0.00 +ATOM 13496 H1 WAT X3803 50.205 45.827 56.613 0.00 0.00 +ATOM 13497 H2 WAT X3803 48.946 46.610 56.917 0.00 0.00 +ATOM 13498 O WAT X3804 56.034 5.898 26.835 0.00 0.00 +ATOM 13499 H1 WAT X3804 55.576 5.669 26.026 0.00 0.00 +ATOM 13500 H2 WAT X3804 55.994 5.103 27.366 0.00 0.00 +ATOM 13501 O WAT X3805 72.985 21.569 3.802 0.00 0.00 +ATOM 13502 H1 WAT X3805 72.617 22.403 4.094 0.00 0.00 +ATOM 13503 H2 WAT X3805 73.230 21.119 4.610 0.00 0.00 +ATOM 13504 O WAT X3806 34.792 24.625 52.129 0.00 0.00 +ATOM 13505 H1 WAT X3806 34.726 24.367 53.049 0.00 0.00 +ATOM 13506 H2 WAT X3806 35.438 25.332 52.124 0.00 0.00 +ATOM 13507 O WAT X3807 29.454 59.714 -0.185 0.00 0.00 +ATOM 13508 H1 WAT X3807 29.348 59.941 0.739 0.00 0.00 +ATOM 13509 H2 WAT X3807 28.974 58.892 -0.286 0.00 0.00 +ATOM 13510 O WAT X3808 28.816 8.882 27.782 0.00 0.00 +ATOM 13511 H1 WAT X3808 28.013 8.700 28.271 0.00 0.00 +ATOM 13512 H2 WAT X3808 28.565 8.780 26.864 0.00 0.00 +ATOM 13513 O WAT X3809 50.326 30.301 54.710 0.00 0.00 +ATOM 13514 H1 WAT X3809 50.595 29.428 54.995 0.00 0.00 +ATOM 13515 H2 WAT X3809 50.887 30.492 53.958 0.00 0.00 +ATOM 13516 O WAT X3810 68.838 31.396 50.201 0.00 0.00 +ATOM 13517 H1 WAT X3810 68.971 31.288 51.143 0.00 0.00 +ATOM 13518 H2 WAT X3810 67.926 31.676 50.119 0.00 0.00 +ATOM 13519 O WAT X3811 36.413 44.358 11.416 0.00 0.00 +ATOM 13520 H1 WAT X3811 35.730 43.694 11.323 0.00 0.00 +ATOM 13521 H2 WAT X3811 36.708 44.274 12.323 0.00 0.00 +ATOM 13522 O WAT X3812 45.557 59.557 34.439 0.00 0.00 +ATOM 13523 H1 WAT X3812 45.286 58.708 34.091 0.00 0.00 +ATOM 13524 H2 WAT X3812 45.849 60.049 33.672 0.00 0.00 +ATOM 13525 O WAT X3813 46.320 7.213 2.559 0.00 0.00 +ATOM 13526 H1 WAT X3813 45.543 7.483 3.048 0.00 0.00 +ATOM 13527 H2 WAT X3813 46.225 7.637 1.706 0.00 0.00 +ATOM 13528 O WAT X3814 75.573 17.909 43.963 0.00 0.00 +ATOM 13529 H1 WAT X3814 76.176 17.208 44.211 0.00 0.00 +ATOM 13530 H2 WAT X3814 74.706 17.566 44.178 0.00 0.00 +ATOM 13531 O WAT X3815 52.319 50.124 47.367 0.00 0.00 +ATOM 13532 H1 WAT X3815 51.651 50.327 46.712 0.00 0.00 +ATOM 13533 H2 WAT X3815 51.884 50.273 48.207 0.00 0.00 +ATOM 13534 O WAT X3816 48.937 62.543 47.602 0.00 0.00 +ATOM 13535 H1 WAT X3816 48.404 61.751 47.666 0.00 0.00 +ATOM 13536 H2 WAT X3816 48.337 63.209 47.265 0.00 0.00 +ATOM 13537 O WAT X3817 19.449 34.360 49.677 0.00 0.00 +ATOM 13538 H1 WAT X3817 20.014 33.735 49.223 0.00 0.00 +ATOM 13539 H2 WAT X3817 19.596 35.189 49.221 0.00 0.00 +ATOM 13540 O WAT X3818 33.806 61.072 36.613 0.00 0.00 +ATOM 13541 H1 WAT X3818 32.897 60.825 36.783 0.00 0.00 +ATOM 13542 H2 WAT X3818 33.789 62.028 36.567 0.00 0.00 +ATOM 13543 O WAT X3819 44.077 46.133 32.768 0.00 0.00 +ATOM 13544 H1 WAT X3819 43.977 47.084 32.808 0.00 0.00 +ATOM 13545 H2 WAT X3819 43.450 45.853 32.101 0.00 0.00 +ATOM 13546 O WAT X3820 35.777 56.389 6.933 0.00 0.00 +ATOM 13547 H1 WAT X3820 35.147 55.952 7.506 0.00 0.00 +ATOM 13548 H2 WAT X3820 35.508 57.307 6.937 0.00 0.00 +ATOM 13549 O WAT X3821 57.296 44.661 53.027 0.00 0.00 +ATOM 13550 H1 WAT X3821 56.816 45.086 53.738 0.00 0.00 +ATOM 13551 H2 WAT X3821 58.069 45.210 52.898 0.00 0.00 +ATOM 13552 O WAT X3822 8.880 17.009 16.271 0.00 0.00 +ATOM 13553 H1 WAT X3822 8.388 17.684 16.739 0.00 0.00 +ATOM 13554 H2 WAT X3822 8.298 16.250 16.264 0.00 0.00 +ATOM 13555 O WAT X3823 28.716 23.822 22.522 0.00 0.00 +ATOM 13556 H1 WAT X3823 27.861 24.054 22.158 0.00 0.00 +ATOM 13557 H2 WAT X3823 28.550 23.687 23.455 0.00 0.00 +ATOM 13558 O WAT X3824 77.308 6.999 11.969 0.00 0.00 +ATOM 13559 H1 WAT X3824 76.701 6.306 11.706 0.00 0.00 +ATOM 13560 H2 WAT X3824 77.153 7.109 12.907 0.00 0.00 +ATOM 13561 O WAT X3825 65.281 50.225 23.514 0.00 0.00 +ATOM 13562 H1 WAT X3825 66.042 49.701 23.267 0.00 0.00 +ATOM 13563 H2 WAT X3825 65.596 51.129 23.495 0.00 0.00 +ATOM 13564 O WAT X3826 39.077 21.425 57.601 0.00 0.00 +ATOM 13565 H1 WAT X3826 38.333 21.449 56.999 0.00 0.00 +ATOM 13566 H2 WAT X3826 39.846 21.449 57.032 0.00 0.00 +ATOM 13567 O WAT X3827 35.887 50.952 18.710 0.00 0.00 +ATOM 13568 H1 WAT X3827 36.495 51.688 18.782 0.00 0.00 +ATOM 13569 H2 WAT X3827 35.040 51.358 18.524 0.00 0.00 +ATOM 13570 O WAT X3828 68.896 59.804 13.232 0.00 0.00 +ATOM 13571 H1 WAT X3828 68.853 59.968 12.290 0.00 0.00 +ATOM 13572 H2 WAT X3828 69.665 59.246 13.344 0.00 0.00 +ATOM 13573 O WAT X3829 15.626 60.815 5.030 0.00 0.00 +ATOM 13574 H1 WAT X3829 16.410 60.644 4.508 0.00 0.00 +ATOM 13575 H2 WAT X3829 14.899 60.646 4.431 0.00 0.00 +ATOM 13576 O WAT X3830 67.914 46.181 15.407 0.00 0.00 +ATOM 13577 H1 WAT X3830 67.588 47.050 15.172 0.00 0.00 +ATOM 13578 H2 WAT X3830 68.204 45.801 14.578 0.00 0.00 +ATOM 13579 O WAT X3831 26.632 4.878 31.391 0.00 0.00 +ATOM 13580 H1 WAT X3831 25.823 5.321 31.135 0.00 0.00 +ATOM 13581 H2 WAT X3831 27.330 5.417 31.017 0.00 0.00 +ATOM 13582 O WAT X3832 47.522 0.645 2.758 0.00 0.00 +ATOM 13583 H1 WAT X3832 48.148 0.560 3.477 0.00 0.00 +ATOM 13584 H2 WAT X3832 48.059 0.610 1.967 0.00 0.00 +ATOM 13585 O WAT X3833 7.619 37.793 35.271 0.00 0.00 +ATOM 13586 H1 WAT X3833 7.841 37.621 36.187 0.00 0.00 +ATOM 13587 H2 WAT X3833 6.872 38.389 35.314 0.00 0.00 +ATOM 13588 O WAT X3834 5.021 47.224 12.976 0.00 0.00 +ATOM 13589 H1 WAT X3834 5.815 46.708 12.833 0.00 0.00 +ATOM 13590 H2 WAT X3834 4.740 46.991 13.861 0.00 0.00 +ATOM 13591 O WAT X3835 68.636 24.198 11.286 0.00 0.00 +ATOM 13592 H1 WAT X3835 68.015 24.911 11.433 0.00 0.00 +ATOM 13593 H2 WAT X3835 69.190 24.198 12.068 0.00 0.00 +ATOM 13594 O WAT X3836 29.040 55.375 30.741 0.00 0.00 +ATOM 13595 H1 WAT X3836 28.534 56.130 30.440 0.00 0.00 +ATOM 13596 H2 WAT X3836 29.747 55.752 31.264 0.00 0.00 +ATOM 13597 O WAT X3837 76.814 36.177 46.700 0.00 0.00 +ATOM 13598 H1 WAT X3837 77.584 35.953 46.177 0.00 0.00 +ATOM 13599 H2 WAT X3837 76.993 37.059 47.024 0.00 0.00 +ATOM 13600 O WAT X3838 17.430 56.715 21.490 0.00 0.00 +ATOM 13601 H1 WAT X3838 16.858 56.623 22.252 0.00 0.00 +ATOM 13602 H2 WAT X3838 17.615 57.653 21.440 0.00 0.00 +ATOM 13603 O WAT X3839 54.884 54.079 18.694 0.00 0.00 +ATOM 13604 H1 WAT X3839 54.797 54.356 17.782 0.00 0.00 +ATOM 13605 H2 WAT X3839 54.666 54.859 19.203 0.00 0.00 +ATOM 13606 O WAT X3840 43.433 53.474 55.916 0.00 0.00 +ATOM 13607 H1 WAT X3840 43.411 54.419 56.067 0.00 0.00 +ATOM 13608 H2 WAT X3840 44.230 53.331 55.406 0.00 0.00 +ATOM 13609 O WAT X3841 8.925 37.089 27.243 0.00 0.00 +ATOM 13610 H1 WAT X3841 8.505 36.792 26.436 0.00 0.00 +ATOM 13611 H2 WAT X3841 8.350 37.779 27.574 0.00 0.00 +ATOM 13612 O WAT X3842 73.981 57.220 42.168 0.00 0.00 +ATOM 13613 H1 WAT X3842 74.406 58.077 42.143 0.00 0.00 +ATOM 13614 H2 WAT X3842 73.366 57.235 41.435 0.00 0.00 +ATOM 13615 O WAT X3843 4.559 0.497 44.298 0.00 0.00 +ATOM 13616 H1 WAT X3843 4.229 -0.371 44.067 0.00 0.00 +ATOM 13617 H2 WAT X3843 5.036 0.787 43.520 0.00 0.00 +ATOM 13618 O WAT X3844 34.196 21.097 52.935 0.00 0.00 +ATOM 13619 H1 WAT X3844 34.017 20.999 52.000 0.00 0.00 +ATOM 13620 H2 WAT X3844 35.024 20.636 53.070 0.00 0.00 +ATOM 13621 O WAT X3845 43.731 8.794 44.389 0.00 0.00 +ATOM 13622 H1 WAT X3845 43.885 7.889 44.660 0.00 0.00 +ATOM 13623 H2 WAT X3845 43.243 8.719 43.570 0.00 0.00 +ATOM 13624 O WAT X3846 36.516 20.893 6.543 0.00 0.00 +ATOM 13625 H1 WAT X3846 37.285 20.573 6.072 0.00 0.00 +ATOM 13626 H2 WAT X3846 36.854 21.584 7.112 0.00 0.00 +ATOM 13627 O WAT X3847 58.764 0.561 2.706 0.00 0.00 +ATOM 13628 H1 WAT X3847 58.724 -0.269 3.181 0.00 0.00 +ATOM 13629 H2 WAT X3847 58.044 1.079 3.066 0.00 0.00 +ATOM 13630 O WAT X3848 40.894 47.160 22.457 0.00 0.00 +ATOM 13631 H1 WAT X3848 41.570 46.805 23.034 0.00 0.00 +ATOM 13632 H2 WAT X3848 41.291 47.151 21.587 0.00 0.00 +ATOM 13633 O WAT X3849 54.509 8.176 42.985 0.00 0.00 +ATOM 13634 H1 WAT X3849 53.892 7.464 42.818 0.00 0.00 +ATOM 13635 H2 WAT X3849 53.957 8.921 43.224 0.00 0.00 +ATOM 13636 O WAT X3850 11.390 62.557 10.084 0.00 0.00 +ATOM 13637 H1 WAT X3850 12.156 62.500 9.512 0.00 0.00 +ATOM 13638 H2 WAT X3850 10.648 62.366 9.510 0.00 0.00 +ATOM 13639 O WAT X3851 39.549 12.290 35.051 0.00 0.00 +ATOM 13640 H1 WAT X3851 40.342 12.334 35.586 0.00 0.00 +ATOM 13641 H2 WAT X3851 38.833 12.409 35.675 0.00 0.00 +ATOM 13642 O WAT X3852 45.781 0.685 38.760 0.00 0.00 +ATOM 13643 H1 WAT X3852 45.515 -0.151 39.143 0.00 0.00 +ATOM 13644 H2 WAT X3852 46.436 1.029 39.367 0.00 0.00 +ATOM 13645 O WAT X3853 27.055 36.934 49.953 0.00 0.00 +ATOM 13646 H1 WAT X3853 27.388 37.074 49.066 0.00 0.00 +ATOM 13647 H2 WAT X3853 27.790 36.542 50.425 0.00 0.00 +ATOM 13648 O WAT X3854 49.207 5.954 44.402 0.00 0.00 +ATOM 13649 H1 WAT X3854 49.767 6.695 44.172 0.00 0.00 +ATOM 13650 H2 WAT X3854 49.422 5.764 45.315 0.00 0.00 +ATOM 13651 O WAT X3855 31.000 14.432 38.355 0.00 0.00 +ATOM 13652 H1 WAT X3855 30.175 14.686 38.769 0.00 0.00 +ATOM 13653 H2 WAT X3855 30.783 13.648 37.851 0.00 0.00 +ATOM 13654 O WAT X3856 18.383 62.037 6.139 0.00 0.00 +ATOM 13655 H1 WAT X3856 17.793 62.021 5.386 0.00 0.00 +ATOM 13656 H2 WAT X3856 18.448 61.122 6.413 0.00 0.00 +ATOM 13657 O WAT X3857 39.399 25.559 48.376 0.00 0.00 +ATOM 13658 H1 WAT X3857 38.781 25.435 49.097 0.00 0.00 +ATOM 13659 H2 WAT X3857 39.189 26.426 48.028 0.00 0.00 +ATOM 13660 O WAT X3858 30.636 50.128 13.789 0.00 0.00 +ATOM 13661 H1 WAT X3858 30.729 49.573 13.015 0.00 0.00 +ATOM 13662 H2 WAT X3858 31.531 50.383 14.011 0.00 0.00 +ATOM 13663 O WAT X3859 63.940 61.642 25.953 0.00 0.00 +ATOM 13664 H1 WAT X3859 63.017 61.875 26.051 0.00 0.00 +ATOM 13665 H2 WAT X3859 64.394 62.181 26.602 0.00 0.00 +ATOM 13666 O WAT X3860 71.303 24.243 26.461 0.00 0.00 +ATOM 13667 H1 WAT X3860 72.084 24.720 26.740 0.00 0.00 +ATOM 13668 H2 WAT X3860 71.233 24.426 25.524 0.00 0.00 +ATOM 13669 O WAT X3861 73.640 0.670 36.355 0.00 0.00 +ATOM 13670 H1 WAT X3861 74.439 1.177 36.213 0.00 0.00 +ATOM 13671 H2 WAT X3861 73.615 0.522 37.301 0.00 0.00 +ATOM 13672 O WAT X3862 35.573 6.303 35.978 0.00 0.00 +ATOM 13673 H1 WAT X3862 36.464 6.592 36.175 0.00 0.00 +ATOM 13674 H2 WAT X3862 35.016 6.848 36.534 0.00 0.00 +ATOM 13675 O WAT X3863 66.471 57.731 29.877 0.00 0.00 +ATOM 13676 H1 WAT X3863 66.333 58.513 29.342 0.00 0.00 +ATOM 13677 H2 WAT X3863 66.747 57.060 29.253 0.00 0.00 +ATOM 13678 O WAT X3864 76.663 18.443 13.338 0.00 0.00 +ATOM 13679 H1 WAT X3864 76.842 17.516 13.496 0.00 0.00 +ATOM 13680 H2 WAT X3864 77.528 18.846 13.268 0.00 0.00 +ATOM 13681 O WAT X3865 48.495 11.047 20.113 0.00 0.00 +ATOM 13682 H1 WAT X3865 48.991 10.817 19.328 0.00 0.00 +ATOM 13683 H2 WAT X3865 48.739 11.955 20.293 0.00 0.00 +ATOM 13684 O WAT X3866 69.042 22.573 42.150 0.00 0.00 +ATOM 13685 H1 WAT X3866 68.306 23.108 41.852 0.00 0.00 +ATOM 13686 H2 WAT X3866 68.643 21.745 42.417 0.00 0.00 +ATOM 13687 O WAT X3867 54.434 36.388 3.832 0.00 0.00 +ATOM 13688 H1 WAT X3867 53.923 36.649 3.066 0.00 0.00 +ATOM 13689 H2 WAT X3867 53.965 36.771 4.574 0.00 0.00 +ATOM 13690 O WAT X3868 52.925 55.810 49.818 0.00 0.00 +ATOM 13691 H1 WAT X3868 53.158 56.709 49.588 0.00 0.00 +ATOM 13692 H2 WAT X3868 52.547 55.877 50.695 0.00 0.00 +ATOM 13693 O WAT X3869 3.006 61.396 39.206 0.00 0.00 +ATOM 13694 H1 WAT X3869 3.936 61.612 39.139 0.00 0.00 +ATOM 13695 H2 WAT X3869 2.952 60.797 39.950 0.00 0.00 +ATOM 13696 O WAT X3870 77.755 63.261 13.785 0.00 0.00 +ATOM 13697 H1 WAT X3870 77.466 62.702 14.506 0.00 0.00 +ATOM 13698 H2 WAT X3870 77.565 62.751 12.997 0.00 0.00 +ATOM 13699 O WAT X3871 27.612 38.332 8.540 0.00 0.00 +ATOM 13700 H1 WAT X3871 26.686 38.525 8.392 0.00 0.00 +ATOM 13701 H2 WAT X3871 28.021 38.447 7.683 0.00 0.00 +ATOM 13702 O WAT X3872 27.419 27.010 6.074 0.00 0.00 +ATOM 13703 H1 WAT X3872 27.071 26.121 6.141 0.00 0.00 +ATOM 13704 H2 WAT X3872 27.160 27.431 6.893 0.00 0.00 +ATOM 13705 O WAT X3873 6.813 0.439 31.166 0.00 0.00 +ATOM 13706 H1 WAT X3873 7.304 -0.154 30.598 0.00 0.00 +ATOM 13707 H2 WAT X3873 5.949 0.035 31.245 0.00 0.00 +ATOM 13708 O WAT X3874 55.827 33.736 56.324 0.00 0.00 +ATOM 13709 H1 WAT X3874 56.018 34.402 56.984 0.00 0.00 +ATOM 13710 H2 WAT X3874 55.679 34.231 55.519 0.00 0.00 +ATOM 13711 O WAT X3875 59.174 15.101 8.007 0.00 0.00 +ATOM 13712 H1 WAT X3875 59.444 16.012 7.893 0.00 0.00 +ATOM 13713 H2 WAT X3875 58.574 15.120 8.752 0.00 0.00 +ATOM 13714 O WAT X3876 73.230 58.071 24.536 0.00 0.00 +ATOM 13715 H1 WAT X3876 73.329 58.064 25.488 0.00 0.00 +ATOM 13716 H2 WAT X3876 73.520 58.944 24.272 0.00 0.00 +ATOM 13717 O WAT X3877 6.966 43.533 8.584 0.00 0.00 +ATOM 13718 H1 WAT X3877 7.210 44.210 7.952 0.00 0.00 +ATOM 13719 H2 WAT X3877 6.011 43.585 8.634 0.00 0.00 +ATOM 13720 O WAT X3878 39.206 52.879 57.064 0.00 0.00 +ATOM 13721 H1 WAT X3878 39.268 53.156 57.978 0.00 0.00 +ATOM 13722 H2 WAT X3878 38.511 52.220 57.060 0.00 0.00 +ATOM 13723 O WAT X3879 24.928 56.609 37.318 0.00 0.00 +ATOM 13724 H1 WAT X3879 25.551 57.152 37.801 0.00 0.00 +ATOM 13725 H2 WAT X3879 24.143 56.599 37.867 0.00 0.00 +ATOM 13726 O WAT X3880 63.601 45.086 32.216 0.00 0.00 +ATOM 13727 H1 WAT X3880 64.557 45.069 32.184 0.00 0.00 +ATOM 13728 H2 WAT X3880 63.385 44.790 33.101 0.00 0.00 +ATOM 13729 O WAT X3881 56.819 9.566 41.780 0.00 0.00 +ATOM 13730 H1 WAT X3881 56.834 10.382 42.280 0.00 0.00 +ATOM 13731 H2 WAT X3881 56.009 9.134 42.050 0.00 0.00 +ATOM 13732 O WAT X3882 75.181 16.159 19.709 0.00 0.00 +ATOM 13733 H1 WAT X3882 74.654 16.728 19.149 0.00 0.00 +ATOM 13734 H2 WAT X3882 76.038 16.131 19.284 0.00 0.00 +ATOM 13735 O WAT X3883 77.506 11.239 38.369 0.00 0.00 +ATOM 13736 H1 WAT X3883 77.939 11.103 37.526 0.00 0.00 +ATOM 13737 H2 WAT X3883 77.812 10.516 38.915 0.00 0.00 +ATOM 13738 O WAT X3884 33.719 1.575 24.351 0.00 0.00 +ATOM 13739 H1 WAT X3884 32.915 1.296 24.789 0.00 0.00 +ATOM 13740 H2 WAT X3884 33.652 2.529 24.310 0.00 0.00 +ATOM 13741 O WAT X3885 74.879 4.440 6.243 0.00 0.00 +ATOM 13742 H1 WAT X3885 74.489 5.289 6.036 0.00 0.00 +ATOM 13743 H2 WAT X3885 75.006 4.458 7.191 0.00 0.00 +ATOM 13744 O WAT X3886 23.363 59.118 4.162 0.00 0.00 +ATOM 13745 H1 WAT X3886 23.970 58.899 4.869 0.00 0.00 +ATOM 13746 H2 WAT X3886 23.175 58.280 3.740 0.00 0.00 +ATOM 13747 O WAT X3887 30.018 6.156 20.348 0.00 0.00 +ATOM 13748 H1 WAT X3887 30.644 6.860 20.176 0.00 0.00 +ATOM 13749 H2 WAT X3887 29.254 6.599 20.716 0.00 0.00 +ATOM 13750 O WAT X3888 51.856 41.092 20.529 0.00 0.00 +ATOM 13751 H1 WAT X3888 51.780 41.164 19.577 0.00 0.00 +ATOM 13752 H2 WAT X3888 51.221 40.417 20.769 0.00 0.00 +ATOM 13753 O WAT X3889 9.819 0.294 22.706 0.00 0.00 +ATOM 13754 H1 WAT X3889 9.491 1.172 22.904 0.00 0.00 +ATOM 13755 H2 WAT X3889 10.619 0.446 22.203 0.00 0.00 +ATOM 13756 O WAT X3890 32.209 24.039 13.529 0.00 0.00 +ATOM 13757 H1 WAT X3890 32.838 23.841 14.222 0.00 0.00 +ATOM 13758 H2 WAT X3890 32.561 24.819 13.101 0.00 0.00 +ATOM 13759 O WAT X3891 9.223 59.940 8.933 0.00 0.00 +ATOM 13760 H1 WAT X3891 9.884 59.314 8.638 0.00 0.00 +ATOM 13761 H2 WAT X3891 9.531 60.228 9.792 0.00 0.00 +ATOM 13762 O WAT X3892 72.825 49.062 24.665 0.00 0.00 +ATOM 13763 H1 WAT X3892 73.088 49.662 23.967 0.00 0.00 +ATOM 13764 H2 WAT X3892 72.028 49.449 25.026 0.00 0.00 +ATOM 13765 O WAT X3893 22.135 50.871 45.884 0.00 0.00 +ATOM 13766 H1 WAT X3893 22.278 51.751 45.534 0.00 0.00 +ATOM 13767 H2 WAT X3893 21.186 50.750 45.847 0.00 0.00 +ATOM 13768 O WAT X3894 62.307 49.306 49.886 0.00 0.00 +ATOM 13769 H1 WAT X3894 61.518 48.826 50.139 0.00 0.00 +ATOM 13770 H2 WAT X3894 62.253 50.129 50.373 0.00 0.00 +ATOM 13771 O WAT X3895 41.868 16.162 47.896 0.00 0.00 +ATOM 13772 H1 WAT X3895 41.957 15.557 47.160 0.00 0.00 +ATOM 13773 H2 WAT X3895 40.960 16.059 48.182 0.00 0.00 +ATOM 13774 O WAT X3896 16.357 4.206 22.098 0.00 0.00 +ATOM 13775 H1 WAT X3896 15.642 3.590 22.262 0.00 0.00 +ATOM 13776 H2 WAT X3896 16.740 4.363 22.961 0.00 0.00 +ATOM 13777 O WAT X3897 48.976 49.801 2.089 0.00 0.00 +ATOM 13778 H1 WAT X3897 49.284 50.028 1.211 0.00 0.00 +ATOM 13779 H2 WAT X3897 48.024 49.749 2.003 0.00 0.00 +ATOM 13780 O WAT X3898 19.493 40.138 25.684 0.00 0.00 +ATOM 13781 H1 WAT X3898 20.392 39.999 25.388 0.00 0.00 +ATOM 13782 H2 WAT X3898 19.472 41.053 25.966 0.00 0.00 +ATOM 13783 O WAT X3899 48.118 53.873 15.034 0.00 0.00 +ATOM 13784 H1 WAT X3899 47.280 54.197 14.704 0.00 0.00 +ATOM 13785 H2 WAT X3899 48.077 52.926 14.901 0.00 0.00 +ATOM 13786 O WAT X3900 5.949 12.271 44.709 0.00 0.00 +ATOM 13787 H1 WAT X3900 6.381 11.568 45.194 0.00 0.00 +ATOM 13788 H2 WAT X3900 5.631 12.869 45.385 0.00 0.00 +ATOM 13789 O WAT X3901 46.526 47.729 36.350 0.00 0.00 +ATOM 13790 H1 WAT X3901 45.752 47.235 36.077 0.00 0.00 +ATOM 13791 H2 WAT X3901 46.201 48.615 36.509 0.00 0.00 +ATOM 13792 O WAT X3902 69.844 62.039 15.112 0.00 0.00 +ATOM 13793 H1 WAT X3902 69.326 61.744 14.363 0.00 0.00 +ATOM 13794 H2 WAT X3902 69.735 62.990 15.120 0.00 0.00 +ATOM 13795 O WAT X3903 0.905 7.512 36.544 0.00 0.00 +ATOM 13796 H1 WAT X3903 0.821 7.202 37.446 0.00 0.00 +ATOM 13797 H2 WAT X3903 1.664 8.094 36.560 0.00 0.00 +ATOM 13798 O WAT X3904 7.940 8.861 13.861 0.00 0.00 +ATOM 13799 H1 WAT X3904 7.973 9.675 13.359 0.00 0.00 +ATOM 13800 H2 WAT X3904 7.934 8.170 13.199 0.00 0.00 +ATOM 13801 O WAT X3905 6.394 45.426 35.281 0.00 0.00 +ATOM 13802 H1 WAT X3905 5.538 45.461 34.855 0.00 0.00 +ATOM 13803 H2 WAT X3905 6.195 45.354 36.214 0.00 0.00 +ATOM 13804 O WAT X3906 38.314 9.522 42.870 0.00 0.00 +ATOM 13805 H1 WAT X3906 37.518 9.252 43.329 0.00 0.00 +ATOM 13806 H2 WAT X3906 38.128 10.412 42.570 0.00 0.00 +ATOM 13807 O WAT X3907 8.864 15.135 46.048 0.00 0.00 +ATOM 13808 H1 WAT X3907 9.717 15.480 45.785 0.00 0.00 +ATOM 13809 H2 WAT X3907 8.989 14.186 46.083 0.00 0.00 +ATOM 13810 O WAT X3908 23.541 59.765 16.331 0.00 0.00 +ATOM 13811 H1 WAT X3908 24.260 60.365 16.133 0.00 0.00 +ATOM 13812 H2 WAT X3908 22.750 60.289 16.205 0.00 0.00 +ATOM 13813 O WAT X3909 36.415 30.870 53.094 0.00 0.00 +ATOM 13814 H1 WAT X3909 36.330 29.923 52.983 0.00 0.00 +ATOM 13815 H2 WAT X3909 36.645 30.983 54.017 0.00 0.00 +ATOM 13816 O WAT X3910 48.643 13.162 41.174 0.00 0.00 +ATOM 13817 H1 WAT X3910 47.756 12.805 41.216 0.00 0.00 +ATOM 13818 H2 WAT X3910 49.002 13.015 42.049 0.00 0.00 +ATOM 13819 O WAT X3911 14.200 26.419 1.995 0.00 0.00 +ATOM 13820 H1 WAT X3911 13.596 25.885 1.478 0.00 0.00 +ATOM 13821 H2 WAT X3911 13.668 27.152 2.303 0.00 0.00 +ATOM 13822 O WAT X3912 21.328 0.602 21.512 0.00 0.00 +ATOM 13823 H1 WAT X3912 21.643 0.354 20.643 0.00 0.00 +ATOM 13824 H2 WAT X3912 21.538 1.533 21.587 0.00 0.00 +ATOM 13825 O WAT X3913 76.573 20.972 34.063 0.00 0.00 +ATOM 13826 H1 WAT X3913 76.570 20.608 33.177 0.00 0.00 +ATOM 13827 H2 WAT X3913 77.073 21.785 33.986 0.00 0.00 +ATOM 13828 O WAT X3914 47.998 8.441 27.306 0.00 0.00 +ATOM 13829 H1 WAT X3914 48.414 7.752 26.789 0.00 0.00 +ATOM 13830 H2 WAT X3914 48.706 9.055 27.502 0.00 0.00 +ATOM 13831 O WAT X3915 30.547 60.422 17.849 0.00 0.00 +ATOM 13832 H1 WAT X3915 31.032 59.777 18.364 0.00 0.00 +ATOM 13833 H2 WAT X3915 30.808 61.266 18.216 0.00 0.00 +ATOM 13834 O WAT X3916 71.734 50.074 45.808 0.00 0.00 +ATOM 13835 H1 WAT X3916 71.736 50.777 45.158 0.00 0.00 +ATOM 13836 H2 WAT X3916 72.473 49.517 45.561 0.00 0.00 +ATOM 13837 O WAT X3917 68.956 16.389 27.609 0.00 0.00 +ATOM 13838 H1 WAT X3917 68.357 17.120 27.763 0.00 0.00 +ATOM 13839 H2 WAT X3917 68.582 15.927 26.859 0.00 0.00 +ATOM 13840 O WAT X3918 23.448 23.536 52.330 0.00 0.00 +ATOM 13841 H1 WAT X3918 24.293 23.833 52.668 0.00 0.00 +ATOM 13842 H2 WAT X3918 23.347 23.998 51.498 0.00 0.00 +ATOM 13843 O WAT X3919 12.082 43.828 0.949 0.00 0.00 +ATOM 13844 H1 WAT X3919 11.951 43.462 1.824 0.00 0.00 +ATOM 13845 H2 WAT X3919 12.603 43.170 0.490 0.00 0.00 +ATOM 13846 O WAT X3920 34.035 20.435 50.267 0.00 0.00 +ATOM 13847 H1 WAT X3920 34.824 20.825 49.892 0.00 0.00 +ATOM 13848 H2 WAT X3920 33.318 20.966 49.920 0.00 0.00 +ATOM 13849 O WAT X3921 53.616 37.784 17.658 0.00 0.00 +ATOM 13850 H1 WAT X3921 54.404 37.346 17.336 0.00 0.00 +ATOM 13851 H2 WAT X3921 53.284 38.266 16.900 0.00 0.00 +ATOM 13852 O WAT X3922 56.915 61.233 21.475 0.00 0.00 +ATOM 13853 H1 WAT X3922 57.329 60.510 21.003 0.00 0.00 +ATOM 13854 H2 WAT X3922 57.326 61.220 22.339 0.00 0.00 +ATOM 13855 O WAT X3923 52.004 62.252 32.188 0.00 0.00 +ATOM 13856 H1 WAT X3923 52.890 62.111 31.856 0.00 0.00 +ATOM 13857 H2 WAT X3923 51.436 61.830 31.543 0.00 0.00 +ATOM 13858 O WAT X3924 63.560 13.358 38.956 0.00 0.00 +ATOM 13859 H1 WAT X3924 64.410 13.234 38.533 0.00 0.00 +ATOM 13860 H2 WAT X3924 63.087 12.543 38.786 0.00 0.00 +ATOM 13861 O WAT X3925 5.444 19.154 9.854 0.00 0.00 +ATOM 13862 H1 WAT X3925 5.795 19.420 10.704 0.00 0.00 +ATOM 13863 H2 WAT X3925 6.141 18.629 9.461 0.00 0.00 +ATOM 13864 O WAT X3926 42.936 17.186 3.034 0.00 0.00 +ATOM 13865 H1 WAT X3926 42.684 18.105 2.942 0.00 0.00 +ATOM 13866 H2 WAT X3926 43.385 16.978 2.214 0.00 0.00 +ATOM 13867 O WAT X3927 67.347 46.635 4.143 0.00 0.00 +ATOM 13868 H1 WAT X3927 66.993 45.811 3.809 0.00 0.00 +ATOM 13869 H2 WAT X3927 66.926 47.310 3.610 0.00 0.00 +ATOM 13870 O WAT X3928 68.904 23.307 32.470 0.00 0.00 +ATOM 13871 H1 WAT X3928 69.858 23.364 32.522 0.00 0.00 +ATOM 13872 H2 WAT X3928 68.599 23.613 33.324 0.00 0.00 +ATOM 13873 O WAT X3929 11.818 56.443 3.387 0.00 0.00 +ATOM 13874 H1 WAT X3929 12.581 55.868 3.457 0.00 0.00 +ATOM 13875 H2 WAT X3929 12.042 57.052 2.684 0.00 0.00 +ATOM 13876 O WAT X3930 32.935 52.903 48.109 0.00 0.00 +ATOM 13877 H1 WAT X3930 32.575 52.281 48.741 0.00 0.00 +ATOM 13878 H2 WAT X3930 32.335 53.648 48.138 0.00 0.00 +ATOM 13879 O WAT X3931 52.690 30.481 58.061 0.00 0.00 +ATOM 13880 H1 WAT X3931 52.368 31.382 58.053 0.00 0.00 +ATOM 13881 H2 WAT X3931 51.905 29.945 57.945 0.00 0.00 +ATOM 13882 O WAT X3932 18.194 37.389 34.721 0.00 0.00 +ATOM 13883 H1 WAT X3932 17.368 36.908 34.775 0.00 0.00 +ATOM 13884 H2 WAT X3932 18.263 37.843 35.561 0.00 0.00 +ATOM 13885 O WAT X3933 50.410 22.154 5.250 0.00 0.00 +ATOM 13886 H1 WAT X3933 50.312 21.213 5.109 0.00 0.00 +ATOM 13887 H2 WAT X3933 49.729 22.373 5.886 0.00 0.00 +ATOM 13888 O WAT X3934 34.572 4.541 8.526 0.00 0.00 +ATOM 13889 H1 WAT X3934 34.863 5.029 9.297 0.00 0.00 +ATOM 13890 H2 WAT X3934 34.906 5.045 7.784 0.00 0.00 +ATOM 13891 O WAT X3935 33.516 59.671 28.185 0.00 0.00 +ATOM 13892 H1 WAT X3935 33.798 59.847 27.288 0.00 0.00 +ATOM 13893 H2 WAT X3935 33.583 60.518 28.627 0.00 0.00 +ATOM 13894 O WAT X3936 69.032 59.331 46.953 0.00 0.00 +ATOM 13895 H1 WAT X3936 68.901 60.181 47.373 0.00 0.00 +ATOM 13896 H2 WAT X3936 69.958 59.325 46.708 0.00 0.00 +ATOM 13897 O WAT X3937 62.874 57.419 47.659 0.00 0.00 +ATOM 13898 H1 WAT X3937 62.888 56.465 47.745 0.00 0.00 +ATOM 13899 H2 WAT X3937 63.752 57.696 47.921 0.00 0.00 +ATOM 13900 O WAT X3938 35.072 18.868 23.899 0.00 0.00 +ATOM 13901 H1 WAT X3938 34.173 18.583 23.736 0.00 0.00 +ATOM 13902 H2 WAT X3938 35.278 19.444 23.162 0.00 0.00 +ATOM 13903 O WAT X3939 29.706 46.763 21.141 0.00 0.00 +ATOM 13904 H1 WAT X3939 29.684 45.828 20.937 0.00 0.00 +ATOM 13905 H2 WAT X3939 30.000 47.178 20.329 0.00 0.00 +ATOM 13906 O WAT X3940 33.389 9.667 8.498 0.00 0.00 +ATOM 13907 H1 WAT X3940 33.973 9.670 9.257 0.00 0.00 +ATOM 13908 H2 WAT X3940 33.965 9.494 7.754 0.00 0.00 +ATOM 13909 O WAT X3941 51.434 58.973 50.366 0.00 0.00 +ATOM 13910 H1 WAT X3941 50.756 58.481 49.903 0.00 0.00 +ATOM 13911 H2 WAT X3941 50.973 59.389 51.094 0.00 0.00 +ATOM 13912 O WAT X3942 62.663 22.221 46.555 0.00 0.00 +ATOM 13913 H1 WAT X3942 62.125 22.914 46.938 0.00 0.00 +ATOM 13914 H2 WAT X3942 62.266 22.054 45.700 0.00 0.00 +ATOM 13915 O WAT X3943 46.769 11.979 57.257 0.00 0.00 +ATOM 13916 H1 WAT X3943 45.937 11.917 56.788 0.00 0.00 +ATOM 13917 H2 WAT X3943 47.153 11.106 57.180 0.00 0.00 +ATOM 13918 O WAT X3944 21.306 61.693 34.380 0.00 0.00 +ATOM 13919 H1 WAT X3944 21.067 62.107 33.551 0.00 0.00 +ATOM 13920 H2 WAT X3944 22.253 61.565 34.320 0.00 0.00 +ATOM 13921 O WAT X3945 56.929 7.078 55.054 0.00 0.00 +ATOM 13922 H1 WAT X3945 57.650 7.446 55.564 0.00 0.00 +ATOM 13923 H2 WAT X3945 56.575 7.823 54.568 0.00 0.00 +ATOM 13924 O WAT X3946 47.491 51.918 23.255 0.00 0.00 +ATOM 13925 H1 WAT X3946 48.331 52.377 23.247 0.00 0.00 +ATOM 13926 H2 WAT X3946 47.131 52.093 24.124 0.00 0.00 +ATOM 13927 O WAT X3947 35.041 46.336 53.285 0.00 0.00 +ATOM 13928 H1 WAT X3947 34.293 46.263 52.692 0.00 0.00 +ATOM 13929 H2 WAT X3947 35.017 47.242 53.591 0.00 0.00 +ATOM 13930 O WAT X3948 26.533 12.843 27.542 0.00 0.00 +ATOM 13931 H1 WAT X3948 27.151 13.572 27.583 0.00 0.00 +ATOM 13932 H2 WAT X3948 25.674 13.260 27.473 0.00 0.00 +ATOM 13933 O WAT X3949 76.276 24.995 35.880 0.00 0.00 +ATOM 13934 H1 WAT X3949 75.396 25.018 36.256 0.00 0.00 +ATOM 13935 H2 WAT X3949 76.585 24.105 36.049 0.00 0.00 +ATOM 13936 O WAT X3950 44.993 48.966 21.975 0.00 0.00 +ATOM 13937 H1 WAT X3950 44.204 49.396 21.645 0.00 0.00 +ATOM 13938 H2 WAT X3950 45.639 49.669 22.039 0.00 0.00 +ATOM 13939 O WAT X3951 58.179 53.217 46.148 0.00 0.00 +ATOM 13940 H1 WAT X3951 57.562 53.784 46.610 0.00 0.00 +ATOM 13941 H2 WAT X3951 58.008 53.382 45.221 0.00 0.00 +ATOM 13942 O WAT X3952 47.589 49.267 23.220 0.00 0.00 +ATOM 13943 H1 WAT X3952 47.380 50.201 23.258 0.00 0.00 +ATOM 13944 H2 WAT X3952 46.740 48.836 23.120 0.00 0.00 +ATOM 13945 O WAT X3953 28.986 61.395 42.296 0.00 0.00 +ATOM 13946 H1 WAT X3953 29.509 61.206 41.517 0.00 0.00 +ATOM 13947 H2 WAT X3953 29.498 61.037 43.021 0.00 0.00 +ATOM 13948 O WAT X3954 29.254 60.926 45.472 0.00 0.00 +ATOM 13949 H1 WAT X3954 30.083 60.506 45.698 0.00 0.00 +ATOM 13950 H2 WAT X3954 28.594 60.250 45.624 0.00 0.00 +ATOM 13951 O WAT X3955 0.665 0.656 47.373 0.00 0.00 +ATOM 13952 H1 WAT X3955 0.374 1.105 48.167 0.00 0.00 +ATOM 13953 H2 WAT X3955 1.607 0.538 47.496 0.00 0.00 +ATOM 13954 O WAT X3956 64.632 37.873 46.092 0.00 0.00 +ATOM 13955 H1 WAT X3956 65.410 38.017 46.631 0.00 0.00 +ATOM 13956 H2 WAT X3956 64.157 37.173 46.540 0.00 0.00 +ATOM 13957 O WAT X3957 7.284 50.147 48.336 0.00 0.00 +ATOM 13958 H1 WAT X3957 7.775 49.379 48.043 0.00 0.00 +ATOM 13959 H2 WAT X3957 7.061 50.611 47.529 0.00 0.00 +ATOM 13960 O WAT X3958 18.144 60.952 44.623 0.00 0.00 +ATOM 13961 H1 WAT X3958 18.921 61.443 44.889 0.00 0.00 +ATOM 13962 H2 WAT X3958 18.299 60.739 43.702 0.00 0.00 +ATOM 13963 O WAT X3959 50.611 43.627 49.719 0.00 0.00 +ATOM 13964 H1 WAT X3959 50.876 43.857 50.610 0.00 0.00 +ATOM 13965 H2 WAT X3959 50.205 44.423 49.377 0.00 0.00 +ATOM 13966 O WAT X3960 77.861 25.583 30.550 0.00 0.00 +ATOM 13967 H1 WAT X3960 78.363 24.981 30.001 0.00 0.00 +ATOM 13968 H2 WAT X3960 77.263 26.019 29.943 0.00 0.00 +ATOM 13969 O WAT X3961 55.089 29.829 7.877 0.00 0.00 +ATOM 13970 H1 WAT X3961 54.841 30.724 7.647 0.00 0.00 +ATOM 13971 H2 WAT X3961 54.429 29.281 7.453 0.00 0.00 +ATOM 13972 O WAT X3962 30.420 53.886 45.671 0.00 0.00 +ATOM 13973 H1 WAT X3962 30.353 52.974 45.390 0.00 0.00 +ATOM 13974 H2 WAT X3962 30.334 54.392 44.863 0.00 0.00 +ATOM 13975 O WAT X3963 1.314 39.743 1.512 0.00 0.00 +ATOM 13976 H1 WAT X3963 0.525 40.230 1.272 0.00 0.00 +ATOM 13977 H2 WAT X3963 2.028 40.369 1.389 0.00 0.00 +ATOM 13978 O WAT X3964 21.984 48.857 23.770 0.00 0.00 +ATOM 13979 H1 WAT X3964 21.953 49.522 23.082 0.00 0.00 +ATOM 13980 H2 WAT X3964 21.280 49.100 24.370 0.00 0.00 +ATOM 13981 O WAT X3965 17.427 20.281 48.463 0.00 0.00 +ATOM 13982 H1 WAT X3965 18.161 20.821 48.758 0.00 0.00 +ATOM 13983 H2 WAT X3965 16.675 20.873 48.471 0.00 0.00 +ATOM 13984 O WAT X3966 61.449 37.696 0.548 0.00 0.00 +ATOM 13985 H1 WAT X3966 60.729 37.065 0.559 0.00 0.00 +ATOM 13986 H2 WAT X3966 62.239 37.159 0.604 0.00 0.00 +ATOM 13987 O WAT X3967 39.010 57.983 43.459 0.00 0.00 +ATOM 13988 H1 WAT X3967 38.160 58.411 43.359 0.00 0.00 +ATOM 13989 H2 WAT X3967 39.375 58.358 44.261 0.00 0.00 +ATOM 13990 O WAT X3968 70.945 37.268 35.216 0.00 0.00 +ATOM 13991 H1 WAT X3968 70.279 37.948 35.314 0.00 0.00 +ATOM 13992 H2 WAT X3968 71.686 37.716 34.807 0.00 0.00 +ATOM 13993 O WAT X3969 56.031 52.486 53.269 0.00 0.00 +ATOM 13994 H1 WAT X3969 55.898 53.071 54.014 0.00 0.00 +ATOM 13995 H2 WAT X3969 56.107 51.615 53.659 0.00 0.00 +ATOM 13996 O WAT X3970 6.627 13.096 2.690 0.00 0.00 +ATOM 13997 H1 WAT X3970 7.074 12.338 3.066 0.00 0.00 +ATOM 13998 H2 WAT X3970 6.879 13.089 1.766 0.00 0.00 +ATOM 13999 O WAT X3971 38.013 9.028 34.218 0.00 0.00 +ATOM 14000 H1 WAT X3971 37.789 9.959 34.202 0.00 0.00 +ATOM 14001 H2 WAT X3971 38.134 8.795 33.298 0.00 0.00 +ATOM 14002 O WAT X3972 16.685 47.213 5.764 0.00 0.00 +ATOM 14003 H1 WAT X3972 16.469 47.720 4.981 0.00 0.00 +ATOM 14004 H2 WAT X3972 17.482 46.737 5.529 0.00 0.00 +ATOM 14005 O WAT X3973 42.935 39.886 56.811 0.00 0.00 +ATOM 14006 H1 WAT X3973 42.893 39.027 57.232 0.00 0.00 +ATOM 14007 H2 WAT X3973 43.840 39.960 56.508 0.00 0.00 +ATOM 14008 O WAT X3974 32.556 7.225 22.781 0.00 0.00 +ATOM 14009 H1 WAT X3974 32.663 6.317 23.065 0.00 0.00 +ATOM 14010 H2 WAT X3974 33.177 7.325 22.060 0.00 0.00 +ATOM 14011 O WAT X3975 45.512 6.312 24.085 0.00 0.00 +ATOM 14012 H1 WAT X3975 45.925 5.864 24.824 0.00 0.00 +ATOM 14013 H2 WAT X3975 46.036 7.103 23.961 0.00 0.00 +ATOM 14014 O WAT X3976 16.693 11.826 3.718 0.00 0.00 +ATOM 14015 H1 WAT X3976 15.989 11.256 4.030 0.00 0.00 +ATOM 14016 H2 WAT X3976 16.479 11.989 2.799 0.00 0.00 +ATOM 14017 O WAT X3977 42.762 55.513 36.250 0.00 0.00 +ATOM 14018 H1 WAT X3977 43.217 55.896 35.500 0.00 0.00 +ATOM 14019 H2 WAT X3977 42.663 54.588 36.023 0.00 0.00 +ATOM 14020 O WAT X3978 65.360 0.990 1.743 0.00 0.00 +ATOM 14021 H1 WAT X3978 66.307 1.026 1.875 0.00 0.00 +ATOM 14022 H2 WAT X3978 64.990 1.190 2.602 0.00 0.00 +ATOM 14023 O WAT X3979 73.583 60.920 18.899 0.00 0.00 +ATOM 14024 H1 WAT X3979 73.147 61.143 18.076 0.00 0.00 +ATOM 14025 H2 WAT X3979 74.325 61.523 18.947 0.00 0.00 +ATOM 14026 O WAT X3980 52.309 13.470 29.827 0.00 0.00 +ATOM 14027 H1 WAT X3980 53.177 13.855 29.703 0.00 0.00 +ATOM 14028 H2 WAT X3980 52.001 13.836 30.656 0.00 0.00 +ATOM 14029 O WAT X3981 77.961 29.972 51.722 0.00 0.00 +ATOM 14030 H1 WAT X3981 77.619 30.357 50.915 0.00 0.00 +ATOM 14031 H2 WAT X3981 77.979 30.698 52.345 0.00 0.00 +ATOM 14032 O WAT X3982 33.345 0.586 1.400 0.00 0.00 +ATOM 14033 H1 WAT X3982 32.826 -0.218 1.387 0.00 0.00 +ATOM 14034 H2 WAT X3982 33.966 0.481 0.679 0.00 0.00 +ATOM 14035 O WAT X3983 21.159 3.848 30.663 0.00 0.00 +ATOM 14036 H1 WAT X3983 22.102 3.719 30.769 0.00 0.00 +ATOM 14037 H2 WAT X3983 21.009 3.762 29.722 0.00 0.00 +ATOM 14038 O WAT X3984 70.606 3.317 41.037 0.00 0.00 +ATOM 14039 H1 WAT X3984 71.156 3.255 41.817 0.00 0.00 +ATOM 14040 H2 WAT X3984 70.084 4.107 41.174 0.00 0.00 +ATOM 14041 O WAT X3985 64.361 12.168 0.066 0.00 0.00 +ATOM 14042 H1 WAT X3985 64.147 13.092 0.198 0.00 0.00 +ATOM 14043 H2 WAT X3985 63.631 11.694 0.463 0.00 0.00 +ATOM 14044 O WAT X3986 61.140 3.486 36.352 0.00 0.00 +ATOM 14045 H1 WAT X3986 60.986 3.824 37.234 0.00 0.00 +ATOM 14046 H2 WAT X3986 62.050 3.713 36.164 0.00 0.00 +ATOM 14047 O WAT X3987 46.640 57.495 45.367 0.00 0.00 +ATOM 14048 H1 WAT X3987 45.800 57.445 45.823 0.00 0.00 +ATOM 14049 H2 WAT X3987 47.121 58.183 45.826 0.00 0.00 +ATOM 14050 O WAT X3988 61.356 11.369 1.844 0.00 0.00 +ATOM 14051 H1 WAT X3988 61.492 10.970 2.703 0.00 0.00 +ATOM 14052 H2 WAT X3988 61.548 12.297 1.978 0.00 0.00 +ATOM 14053 O WAT X3989 49.455 36.482 51.566 0.00 0.00 +ATOM 14054 H1 WAT X3989 49.879 37.023 52.232 0.00 0.00 +ATOM 14055 H2 WAT X3989 49.403 35.612 51.961 0.00 0.00 +ATOM 14056 O WAT X3990 68.941 1.405 5.102 0.00 0.00 +ATOM 14057 H1 WAT X3990 68.129 1.057 5.471 0.00 0.00 +ATOM 14058 H2 WAT X3990 68.916 2.339 5.307 0.00 0.00 +ATOM 14059 O WAT X3991 44.646 13.418 51.899 0.00 0.00 +ATOM 14060 H1 WAT X3991 44.590 13.972 51.121 0.00 0.00 +ATOM 14061 H2 WAT X3991 44.741 12.530 51.555 0.00 0.00 +ATOM 14062 O WAT X3992 64.400 53.084 17.668 0.00 0.00 +ATOM 14063 H1 WAT X3992 65.326 53.286 17.536 0.00 0.00 +ATOM 14064 H2 WAT X3992 64.293 53.058 18.618 0.00 0.00 +ATOM 14065 O WAT X3993 28.391 27.654 3.313 0.00 0.00 +ATOM 14066 H1 WAT X3993 27.838 27.599 4.093 0.00 0.00 +ATOM 14067 H2 WAT X3993 28.894 26.840 3.318 0.00 0.00 +ATOM 14068 O WAT X3994 25.372 11.126 15.474 0.00 0.00 +ATOM 14069 H1 WAT X3994 24.732 11.191 14.766 0.00 0.00 +ATOM 14070 H2 WAT X3994 26.220 11.207 15.039 0.00 0.00 +ATOM 14071 O WAT X3995 48.867 25.442 22.842 0.00 0.00 +ATOM 14072 H1 WAT X3995 49.783 25.624 22.629 0.00 0.00 +ATOM 14073 H2 WAT X3995 48.511 26.289 23.111 0.00 0.00 +ATOM 14074 O WAT X3996 76.836 58.054 44.708 0.00 0.00 +ATOM 14075 H1 WAT X3996 75.964 57.775 44.987 0.00 0.00 +ATOM 14076 H2 WAT X3996 77.318 58.183 45.525 0.00 0.00 +ATOM 14077 O WAT X3997 36.096 37.317 43.426 0.00 0.00 +ATOM 14078 H1 WAT X3997 36.513 37.261 44.286 0.00 0.00 +ATOM 14079 H2 WAT X3997 35.509 36.562 43.395 0.00 0.00 +ATOM 14080 O WAT X3998 59.537 13.429 12.036 0.00 0.00 +ATOM 14081 H1 WAT X3998 60.141 14.133 12.272 0.00 0.00 +ATOM 14082 H2 WAT X3998 60.024 12.897 11.406 0.00 0.00 +ATOM 14083 O WAT X3999 23.377 59.764 32.402 0.00 0.00 +ATOM 14084 H1 WAT X3999 23.474 60.454 33.059 0.00 0.00 +ATOM 14085 H2 WAT X3999 22.946 59.048 32.868 0.00 0.00 +ATOM 14086 O WAT X4000 29.179 34.678 57.444 0.00 0.00 +ATOM 14087 H1 WAT X4000 30.000 34.792 56.966 0.00 0.00 +ATOM 14088 H2 WAT X4000 28.942 35.561 57.728 0.00 0.00 +ATOM 14089 O WAT X4001 34.263 56.782 36.250 0.00 0.00 +ATOM 14090 H1 WAT X4001 34.809 57.513 36.540 0.00 0.00 +ATOM 14091 H2 WAT X4001 33.414 56.939 36.663 0.00 0.00 +ATOM 14092 O WAT X4002 20.470 19.869 52.704 0.00 0.00 +ATOM 14093 H1 WAT X4002 20.448 20.763 52.363 0.00 0.00 +ATOM 14094 H2 WAT X4002 21.395 19.624 52.676 0.00 0.00 +ATOM 14095 O WAT X4003 13.009 36.984 16.815 0.00 0.00 +ATOM 14096 H1 WAT X4003 13.837 37.130 17.273 0.00 0.00 +ATOM 14097 H2 WAT X4003 12.739 36.105 17.082 0.00 0.00 +ATOM 14098 O WAT X4004 59.206 12.386 29.218 0.00 0.00 +ATOM 14099 H1 WAT X4004 59.974 12.151 28.697 0.00 0.00 +ATOM 14100 H2 WAT X4004 59.087 13.322 29.062 0.00 0.00 +ATOM 14101 O WAT X4005 75.982 13.836 7.809 0.00 0.00 +ATOM 14102 H1 WAT X4005 75.440 13.048 7.864 0.00 0.00 +ATOM 14103 H2 WAT X4005 76.603 13.750 8.531 0.00 0.00 +ATOM 14104 O WAT X4006 6.903 14.444 24.631 0.00 0.00 +ATOM 14105 H1 WAT X4006 7.542 13.811 24.303 0.00 0.00 +ATOM 14106 H2 WAT X4006 6.544 14.036 25.419 0.00 0.00 +ATOM 14107 O WAT X4007 75.555 13.116 47.879 0.00 0.00 +ATOM 14108 H1 WAT X4007 74.989 13.603 47.279 0.00 0.00 +ATOM 14109 H2 WAT X4007 76.389 13.584 47.855 0.00 0.00 +ATOM 14110 O WAT X4008 23.504 44.126 45.530 0.00 0.00 +ATOM 14111 H1 WAT X4008 22.566 44.268 45.661 0.00 0.00 +ATOM 14112 H2 WAT X4008 23.611 43.176 45.581 0.00 0.00 +ATOM 14113 O WAT X4009 15.865 30.205 14.301 0.00 0.00 +ATOM 14114 H1 WAT X4009 16.612 29.871 14.798 0.00 0.00 +ATOM 14115 H2 WAT X4009 15.810 31.129 14.544 0.00 0.00 +ATOM 14116 O WAT X4010 34.450 27.813 47.380 0.00 0.00 +ATOM 14117 H1 WAT X4010 34.493 26.991 46.890 0.00 0.00 +ATOM 14118 H2 WAT X4010 34.919 27.631 48.194 0.00 0.00 +ATOM 14119 O WAT X4011 0.704 0.144 3.888 0.00 0.00 +ATOM 14120 H1 WAT X4011 0.255 0.977 4.027 0.00 0.00 +ATOM 14121 H2 WAT X4011 0.131 -0.341 3.294 0.00 0.00 +ATOM 14122 O WAT X4012 20.661 35.253 54.094 0.00 0.00 +ATOM 14123 H1 WAT X4012 20.337 34.656 53.420 0.00 0.00 +ATOM 14124 H2 WAT X4012 21.251 35.844 53.627 0.00 0.00 +ATOM 14125 O WAT X4013 40.323 54.283 48.839 0.00 0.00 +ATOM 14126 H1 WAT X4013 41.033 53.649 48.936 0.00 0.00 +ATOM 14127 H2 WAT X4013 39.530 53.787 49.041 0.00 0.00 +ATOM 14128 O WAT X4014 34.418 21.418 32.754 0.00 0.00 +ATOM 14129 H1 WAT X4014 34.761 22.084 32.159 0.00 0.00 +ATOM 14130 H2 WAT X4014 33.784 21.886 33.297 0.00 0.00 +ATOM 14131 O WAT X4015 42.752 44.379 12.148 0.00 0.00 +ATOM 14132 H1 WAT X4015 42.309 43.620 12.526 0.00 0.00 +ATOM 14133 H2 WAT X4015 43.355 44.008 11.504 0.00 0.00 +ATOM 14134 O WAT X4016 46.974 39.755 3.398 0.00 0.00 +ATOM 14135 H1 WAT X4016 46.332 39.046 3.363 0.00 0.00 +ATOM 14136 H2 WAT X4016 47.793 39.350 3.115 0.00 0.00 +ATOM 14137 O WAT X4017 42.686 60.177 24.635 0.00 0.00 +ATOM 14138 H1 WAT X4017 41.850 59.711 24.599 0.00 0.00 +ATOM 14139 H2 WAT X4017 42.620 60.725 25.417 0.00 0.00 +ATOM 14140 O WAT X4018 31.746 19.710 32.057 0.00 0.00 +ATOM 14141 H1 WAT X4018 30.895 19.427 32.391 0.00 0.00 +ATOM 14142 H2 WAT X4018 32.356 19.526 32.771 0.00 0.00 +ATOM 14143 O WAT X4019 49.031 8.493 21.303 0.00 0.00 +ATOM 14144 H1 WAT X4019 48.703 9.356 21.052 0.00 0.00 +ATOM 14145 H2 WAT X4019 48.251 7.938 21.329 0.00 0.00 +ATOM 14146 O WAT X4020 48.000 23.619 6.724 0.00 0.00 +ATOM 14147 H1 WAT X4020 47.495 22.888 7.079 0.00 0.00 +ATOM 14148 H2 WAT X4020 48.474 23.972 7.478 0.00 0.00 +ATOM 14149 O WAT X4021 58.562 62.063 35.341 0.00 0.00 +ATOM 14150 H1 WAT X4021 58.969 62.867 35.019 0.00 0.00 +ATOM 14151 H2 WAT X4021 58.199 61.648 34.559 0.00 0.00 +ATOM 14152 O WAT X4022 49.719 17.855 54.804 0.00 0.00 +ATOM 14153 H1 WAT X4022 49.054 18.037 55.467 0.00 0.00 +ATOM 14154 H2 WAT X4022 49.744 16.900 54.744 0.00 0.00 +ATOM 14155 O WAT X4023 29.139 58.722 35.594 0.00 0.00 +ATOM 14156 H1 WAT X4023 29.036 57.771 35.627 0.00 0.00 +ATOM 14157 H2 WAT X4023 28.314 59.065 35.937 0.00 0.00 +ATOM 14158 O WAT X4024 51.695 13.910 2.620 0.00 0.00 +ATOM 14159 H1 WAT X4024 52.029 13.626 1.769 0.00 0.00 +ATOM 14160 H2 WAT X4024 51.444 14.824 2.486 0.00 0.00 +ATOM 14161 O WAT X4025 75.692 24.102 14.582 0.00 0.00 +ATOM 14162 H1 WAT X4025 74.901 24.244 15.100 0.00 0.00 +ATOM 14163 H2 WAT X4025 76.235 23.530 15.125 0.00 0.00 +ATOM 14164 O WAT X4026 38.881 21.627 45.092 0.00 0.00 +ATOM 14165 H1 WAT X4026 39.485 21.194 45.695 0.00 0.00 +ATOM 14166 H2 WAT X4026 38.845 21.048 44.331 0.00 0.00 +ATOM 14167 O WAT X4027 41.909 53.712 24.165 0.00 0.00 +ATOM 14168 H1 WAT X4027 41.236 53.132 23.809 0.00 0.00 +ATOM 14169 H2 WAT X4027 41.628 54.590 23.908 0.00 0.00 +ATOM 14170 O WAT X4028 54.943 38.480 49.564 0.00 0.00 +ATOM 14171 H1 WAT X4028 55.038 37.613 49.959 0.00 0.00 +ATOM 14172 H2 WAT X4028 55.734 38.951 49.827 0.00 0.00 +ATOM 14173 O WAT X4029 36.887 40.492 8.627 0.00 0.00 +ATOM 14174 H1 WAT X4029 37.677 40.918 8.961 0.00 0.00 +ATOM 14175 H2 WAT X4029 36.334 41.215 8.329 0.00 0.00 +ATOM 14176 O WAT X4030 51.404 27.122 0.422 0.00 0.00 +ATOM 14177 H1 WAT X4030 51.390 26.950 1.364 0.00 0.00 +ATOM 14178 H2 WAT X4030 52.189 26.673 0.108 0.00 0.00 +ATOM 14179 O WAT X4031 67.113 9.243 53.417 0.00 0.00 +ATOM 14180 H1 WAT X4031 66.876 10.072 53.833 0.00 0.00 +ATOM 14181 H2 WAT X4031 66.285 8.894 53.087 0.00 0.00 +ATOM 14182 O WAT X4032 47.097 3.410 35.019 0.00 0.00 +ATOM 14183 H1 WAT X4032 47.409 4.306 34.895 0.00 0.00 +ATOM 14184 H2 WAT X4032 46.441 3.287 34.334 0.00 0.00 +ATOM 14185 O WAT X4033 40.808 42.057 23.069 0.00 0.00 +ATOM 14186 H1 WAT X4033 40.776 42.337 22.155 0.00 0.00 +ATOM 14187 H2 WAT X4033 41.478 42.613 23.467 0.00 0.00 +ATOM 14188 O WAT X4034 70.287 36.496 4.933 0.00 0.00 +ATOM 14189 H1 WAT X4034 70.454 37.304 5.417 0.00 0.00 +ATOM 14190 H2 WAT X4034 70.591 35.800 5.515 0.00 0.00 +ATOM 14191 O WAT X4035 11.502 56.480 19.989 0.00 0.00 +ATOM 14192 H1 WAT X4035 11.526 56.929 20.834 0.00 0.00 +ATOM 14193 H2 WAT X4035 10.824 56.939 19.492 0.00 0.00 +ATOM 14194 O WAT X4036 24.500 51.240 55.444 0.00 0.00 +ATOM 14195 H1 WAT X4036 24.502 50.460 54.888 0.00 0.00 +ATOM 14196 H2 WAT X4036 25.364 51.242 55.856 0.00 0.00 +ATOM 14197 O WAT X4037 34.997 44.873 0.468 0.00 0.00 +ATOM 14198 H1 WAT X4037 34.372 44.372 0.992 0.00 0.00 +ATOM 14199 H2 WAT X4037 35.771 44.312 0.417 0.00 0.00 +ATOM 14200 O WAT X4038 55.964 63.006 33.812 0.00 0.00 +ATOM 14201 H1 WAT X4038 55.840 62.228 33.269 0.00 0.00 +ATOM 14202 H2 WAT X4038 56.424 63.624 33.244 0.00 0.00 +ATOM 14203 O WAT X4039 57.263 32.796 8.261 0.00 0.00 +ATOM 14204 H1 WAT X4039 58.179 32.561 8.409 0.00 0.00 +ATOM 14205 H2 WAT X4039 57.235 33.745 8.384 0.00 0.00 +ATOM 14206 O WAT X4040 17.765 53.074 51.270 0.00 0.00 +ATOM 14207 H1 WAT X4040 18.379 53.795 51.407 0.00 0.00 +ATOM 14208 H2 WAT X4040 17.191 53.099 52.036 0.00 0.00 +ATOM 14209 O WAT X4041 42.560 18.739 54.959 0.00 0.00 +ATOM 14210 H1 WAT X4041 42.456 18.310 54.110 0.00 0.00 +ATOM 14211 H2 WAT X4041 43.063 19.531 54.766 0.00 0.00 +ATOM 14212 O WAT X4042 35.166 10.886 23.907 0.00 0.00 +ATOM 14213 H1 WAT X4042 35.256 11.489 23.170 0.00 0.00 +ATOM 14214 H2 WAT X4042 34.331 10.444 23.754 0.00 0.00 +ATOM 14215 O WAT X4043 40.838 49.476 23.795 0.00 0.00 +ATOM 14216 H1 WAT X4043 41.769 49.472 24.017 0.00 0.00 +ATOM 14217 H2 WAT X4043 40.694 48.637 23.357 0.00 0.00 +ATOM 14218 O WAT X4044 10.534 6.268 11.780 0.00 0.00 +ATOM 14219 H1 WAT X4044 11.021 5.782 11.114 0.00 0.00 +ATOM 14220 H2 WAT X4044 11.195 6.521 12.424 0.00 0.00 +ATOM 14221 O WAT X4045 25.461 10.402 33.891 0.00 0.00 +ATOM 14222 H1 WAT X4045 25.185 9.577 34.291 0.00 0.00 +ATOM 14223 H2 WAT X4045 24.647 10.806 33.590 0.00 0.00 +ATOM 14224 O WAT X4046 35.952 52.573 36.996 0.00 0.00 +ATOM 14225 H1 WAT X4046 35.457 53.232 36.509 0.00 0.00 +ATOM 14226 H2 WAT X4046 35.999 52.919 37.887 0.00 0.00 +ATOM 14227 O WAT X4047 69.778 11.803 9.417 0.00 0.00 +ATOM 14228 H1 WAT X4047 69.210 12.456 9.825 0.00 0.00 +ATOM 14229 H2 WAT X4047 70.332 11.488 10.132 0.00 0.00 +ATOM 14230 O WAT X4048 13.320 24.259 20.344 0.00 0.00 +ATOM 14231 H1 WAT X4048 13.159 24.296 19.401 0.00 0.00 +ATOM 14232 H2 WAT X4048 12.520 24.607 20.738 0.00 0.00 +ATOM 14233 O WAT X4049 23.098 55.144 40.801 0.00 0.00 +ATOM 14234 H1 WAT X4049 23.333 54.217 40.848 0.00 0.00 +ATOM 14235 H2 WAT X4049 23.466 55.443 39.970 0.00 0.00 +ATOM 14236 O WAT X4050 41.475 19.934 -0.281 0.00 0.00 +ATOM 14237 H1 WAT X4050 41.502 20.175 0.645 0.00 0.00 +ATOM 14238 H2 WAT X4050 40.695 19.386 -0.364 0.00 0.00 +ATOM 14239 O WAT X4051 3.888 28.288 53.207 0.00 0.00 +ATOM 14240 H1 WAT X4051 3.249 28.123 53.901 0.00 0.00 +ATOM 14241 H2 WAT X4051 3.793 27.545 52.612 0.00 0.00 +ATOM 14242 O WAT X4052 41.409 21.263 6.029 0.00 0.00 +ATOM 14243 H1 WAT X4052 40.495 21.047 6.216 0.00 0.00 +ATOM 14244 H2 WAT X4052 41.640 21.919 6.686 0.00 0.00 +ATOM 14245 O WAT X4053 60.835 39.974 57.509 0.00 0.00 +ATOM 14246 H1 WAT X4053 61.246 39.174 57.836 0.00 0.00 +ATOM 14247 H2 WAT X4053 61.409 40.679 57.809 0.00 0.00 +ATOM 14248 O WAT X4054 48.139 59.178 -0.315 0.00 0.00 +ATOM 14249 H1 WAT X4054 48.102 60.048 0.083 0.00 0.00 +ATOM 14250 H2 WAT X4054 48.407 58.599 0.398 0.00 0.00 +ATOM 14251 O WAT X4055 39.228 51.872 13.237 0.00 0.00 +ATOM 14252 H1 WAT X4055 38.541 51.927 13.901 0.00 0.00 +ATOM 14253 H2 WAT X4055 40.033 52.090 13.706 0.00 0.00 +ATOM 14254 O WAT X4056 15.259 14.691 43.531 0.00 0.00 +ATOM 14255 H1 WAT X4056 16.088 15.101 43.776 0.00 0.00 +ATOM 14256 H2 WAT X4056 15.366 14.465 42.607 0.00 0.00 +ATOM 14257 O WAT X4057 75.713 39.761 52.893 0.00 0.00 +ATOM 14258 H1 WAT X4057 74.828 39.521 53.167 0.00 0.00 +ATOM 14259 H2 WAT X4057 75.961 39.083 52.264 0.00 0.00 +ATOM 14260 O WAT X4058 14.755 50.516 30.264 0.00 0.00 +ATOM 14261 H1 WAT X4058 15.469 50.904 30.769 0.00 0.00 +ATOM 14262 H2 WAT X4058 14.197 51.257 30.028 0.00 0.00 +ATOM 14263 O WAT X4059 31.533 48.475 31.156 0.00 0.00 +ATOM 14264 H1 WAT X4059 31.310 48.922 30.340 0.00 0.00 +ATOM 14265 H2 WAT X4059 30.710 48.440 31.643 0.00 0.00 +ATOM 14266 O WAT X4060 74.673 0.647 17.343 0.00 0.00 +ATOM 14267 H1 WAT X4060 74.411 1.247 18.041 0.00 0.00 +ATOM 14268 H2 WAT X4060 73.852 0.263 17.036 0.00 0.00 +ATOM 14269 O WAT X4061 36.098 61.934 28.475 0.00 0.00 +ATOM 14270 H1 WAT X4061 36.264 62.408 27.660 0.00 0.00 +ATOM 14271 H2 WAT X4061 35.186 62.132 28.686 0.00 0.00 +ATOM 14272 O WAT X4062 66.078 10.478 4.083 0.00 0.00 +ATOM 14273 H1 WAT X4062 66.590 10.389 4.886 0.00 0.00 +ATOM 14274 H2 WAT X4062 66.105 11.414 3.884 0.00 0.00 +ATOM 14275 O WAT X4063 73.729 20.147 21.528 0.00 0.00 +ATOM 14276 H1 WAT X4063 73.083 20.774 21.200 0.00 0.00 +ATOM 14277 H2 WAT X4063 73.529 20.064 22.460 0.00 0.00 +ATOM 14278 O WAT X4064 54.040 0.463 5.824 0.00 0.00 +ATOM 14279 H1 WAT X4064 54.775 -0.077 5.535 0.00 0.00 +ATOM 14280 H2 WAT X4064 54.445 1.169 6.328 0.00 0.00 +ATOM 14281 O WAT X4065 22.525 48.953 17.237 0.00 0.00 +ATOM 14282 H1 WAT X4065 22.998 49.602 17.757 0.00 0.00 +ATOM 14283 H2 WAT X4065 21.775 49.430 16.884 0.00 0.00 +ATOM 14284 O WAT X4066 15.909 18.984 7.141 0.00 0.00 +ATOM 14285 H1 WAT X4066 15.066 18.643 7.441 0.00 0.00 +ATOM 14286 H2 WAT X4066 16.233 18.320 6.533 0.00 0.00 +ATOM 14287 O WAT X4067 50.552 30.198 4.388 0.00 0.00 +ATOM 14288 H1 WAT X4067 49.635 30.428 4.535 0.00 0.00 +ATOM 14289 H2 WAT X4067 51.009 31.039 4.365 0.00 0.00 +ATOM 14290 O WAT X4068 24.839 11.480 55.655 0.00 0.00 +ATOM 14291 H1 WAT X4068 25.275 11.824 54.876 0.00 0.00 +ATOM 14292 H2 WAT X4068 25.178 12.013 56.375 0.00 0.00 +ATOM 14293 O WAT X4069 73.240 38.103 49.169 0.00 0.00 +ATOM 14294 H1 WAT X4069 73.639 37.642 48.432 0.00 0.00 +ATOM 14295 H2 WAT X4069 72.621 37.473 49.539 0.00 0.00 +ATOM 14296 O WAT X4070 49.554 7.381 13.241 0.00 0.00 +ATOM 14297 H1 WAT X4070 50.275 7.723 13.770 0.00 0.00 +ATOM 14298 H2 WAT X4070 49.382 8.069 12.597 0.00 0.00 +ATOM 14299 O WAT X4071 69.527 21.783 4.080 0.00 0.00 +ATOM 14300 H1 WAT X4071 69.771 22.268 4.868 0.00 0.00 +ATOM 14301 H2 WAT X4071 69.801 22.347 3.357 0.00 0.00 +ATOM 14302 O WAT X4072 48.452 61.258 44.565 0.00 0.00 +ATOM 14303 H1 WAT X4072 48.435 60.674 43.806 0.00 0.00 +ATOM 14304 H2 WAT X4072 47.978 60.781 45.245 0.00 0.00 +ATOM 14305 O WAT X4073 48.838 10.796 24.189 0.00 0.00 +ATOM 14306 H1 WAT X4073 49.604 10.600 23.649 0.00 0.00 +ATOM 14307 H2 WAT X4073 48.377 11.485 23.711 0.00 0.00 +ATOM 14308 O WAT X4074 48.551 8.457 39.830 0.00 0.00 +ATOM 14309 H1 WAT X4074 47.598 8.369 39.796 0.00 0.00 +ATOM 14310 H2 WAT X4074 48.828 7.813 40.481 0.00 0.00 +ATOM 14311 O WAT X4075 39.221 36.349 40.779 0.00 0.00 +ATOM 14312 H1 WAT X4075 38.364 36.005 40.529 0.00 0.00 +ATOM 14313 H2 WAT X4075 39.828 35.958 40.151 0.00 0.00 +ATOM 14314 O WAT X4076 57.807 1.417 23.693 0.00 0.00 +ATOM 14315 H1 WAT X4076 57.822 0.476 23.870 0.00 0.00 +ATOM 14316 H2 WAT X4076 57.700 1.481 22.744 0.00 0.00 +ATOM 14317 O WAT X4077 2.224 41.588 13.009 0.00 0.00 +ATOM 14318 H1 WAT X4077 2.220 40.716 12.614 0.00 0.00 +ATOM 14319 H2 WAT X4077 2.483 42.173 12.297 0.00 0.00 +ATOM 14320 O WAT X4078 9.579 13.744 54.447 0.00 0.00 +ATOM 14321 H1 WAT X4078 9.501 13.148 55.192 0.00 0.00 +ATOM 14322 H2 WAT X4078 8.678 13.998 54.248 0.00 0.00 +ATOM 14323 O WAT X4079 34.572 37.603 48.707 0.00 0.00 +ATOM 14324 H1 WAT X4079 35.199 38.200 49.116 0.00 0.00 +ATOM 14325 H2 WAT X4079 34.140 37.168 49.442 0.00 0.00 +ATOM 14326 O WAT X4080 77.114 27.542 34.803 0.00 0.00 +ATOM 14327 H1 WAT X4080 77.550 27.036 34.116 0.00 0.00 +ATOM 14328 H2 WAT X4080 76.767 26.882 35.403 0.00 0.00 +ATOM 14329 O WAT X4081 49.895 5.437 47.222 0.00 0.00 +ATOM 14330 H1 WAT X4081 49.441 6.138 47.691 0.00 0.00 +ATOM 14331 H2 WAT X4081 50.722 5.332 47.692 0.00 0.00 +ATOM 14332 O WAT X4082 61.734 4.495 26.891 0.00 0.00 +ATOM 14333 H1 WAT X4082 61.372 5.066 26.213 0.00 0.00 +ATOM 14334 H2 WAT X4082 62.119 5.095 27.529 0.00 0.00 +ATOM 14335 O WAT X4083 31.634 48.171 4.561 0.00 0.00 +ATOM 14336 H1 WAT X4083 31.979 48.960 4.143 0.00 0.00 +ATOM 14337 H2 WAT X4083 32.224 47.472 4.280 0.00 0.00 +ATOM 14338 O WAT X4084 21.790 55.665 20.218 0.00 0.00 +ATOM 14339 H1 WAT X4084 21.266 56.149 19.580 0.00 0.00 +ATOM 14340 H2 WAT X4084 21.179 55.036 20.601 0.00 0.00 +ATOM 14341 O WAT X4085 34.350 13.127 4.446 0.00 0.00 +ATOM 14342 H1 WAT X4085 34.940 13.814 4.136 0.00 0.00 +ATOM 14343 H2 WAT X4085 34.493 13.098 5.392 0.00 0.00 +ATOM 14344 O WAT X4086 25.541 0.810 22.449 0.00 0.00 +ATOM 14345 H1 WAT X4086 26.418 0.631 22.110 0.00 0.00 +ATOM 14346 H2 WAT X4086 25.096 1.265 21.734 0.00 0.00 +ATOM 14347 O WAT X4087 76.881 19.256 9.665 0.00 0.00 +ATOM 14348 H1 WAT X4087 76.402 19.836 9.074 0.00 0.00 +ATOM 14349 H2 WAT X4087 76.223 18.956 10.292 0.00 0.00 +ATOM 14350 O WAT X4088 67.933 31.524 23.916 0.00 0.00 +ATOM 14351 H1 WAT X4088 68.791 31.112 24.010 0.00 0.00 +ATOM 14352 H2 WAT X4088 67.333 30.935 24.375 0.00 0.00 +ATOM 14353 O WAT X4089 35.137 4.167 22.266 0.00 0.00 +ATOM 14354 H1 WAT X4089 34.351 4.223 22.810 0.00 0.00 +ATOM 14355 H2 WAT X4089 35.511 5.048 22.294 0.00 0.00 +ATOM 14356 O WAT X4090 33.429 5.634 49.384 0.00 0.00 +ATOM 14357 H1 WAT X4090 34.036 6.196 49.866 0.00 0.00 +ATOM 14358 H2 WAT X4090 33.195 6.144 48.609 0.00 0.00 +ATOM 14359 O WAT X4091 1.469 39.146 4.096 0.00 0.00 +ATOM 14360 H1 WAT X4091 1.719 38.230 3.975 0.00 0.00 +ATOM 14361 H2 WAT X4091 1.471 39.514 3.213 0.00 0.00 +ATOM 14362 O WAT X4092 7.308 16.568 44.142 0.00 0.00 +ATOM 14363 H1 WAT X4092 6.859 15.879 43.653 0.00 0.00 +ATOM 14364 H2 WAT X4092 7.936 16.101 44.693 0.00 0.00 +ATOM 14365 O WAT X4093 4.201 44.568 54.286 0.00 0.00 +ATOM 14366 H1 WAT X4093 4.626 44.703 53.440 0.00 0.00 +ATOM 14367 H2 WAT X4093 4.897 44.705 54.929 0.00 0.00 +ATOM 14368 O WAT X4094 36.346 -0.302 37.077 0.00 0.00 +ATOM 14369 H1 WAT X4094 37.202 0.027 37.351 0.00 0.00 +ATOM 14370 H2 WAT X4094 35.982 0.398 36.535 0.00 0.00 +ATOM 14371 O WAT X4095 6.875 48.132 15.227 0.00 0.00 +ATOM 14372 H1 WAT X4095 6.716 47.911 16.145 0.00 0.00 +ATOM 14373 H2 WAT X4095 6.680 47.325 14.750 0.00 0.00 +ATOM 14374 O WAT X4096 24.445 58.652 47.424 0.00 0.00 +ATOM 14375 H1 WAT X4096 25.292 58.232 47.574 0.00 0.00 +ATOM 14376 H2 WAT X4096 24.332 59.237 48.173 0.00 0.00 +ATOM 14377 O WAT X4097 4.545 1.889 51.408 0.00 0.00 +ATOM 14378 H1 WAT X4097 5.259 1.586 50.848 0.00 0.00 +ATOM 14379 H2 WAT X4097 3.831 2.085 50.801 0.00 0.00 +ATOM 14380 O WAT X4098 29.066 52.064 1.472 0.00 0.00 +ATOM 14381 H1 WAT X4098 29.055 51.966 2.424 0.00 0.00 +ATOM 14382 H2 WAT X4098 28.829 51.199 1.138 0.00 0.00 +ATOM 14383 O WAT X4099 6.850 2.674 49.453 0.00 0.00 +ATOM 14384 H1 WAT X4099 7.583 2.120 49.185 0.00 0.00 +ATOM 14385 H2 WAT X4099 7.251 3.357 49.992 0.00 0.00 +ATOM 14386 O WAT X4100 61.871 23.269 41.829 0.00 0.00 +ATOM 14387 H1 WAT X4100 61.802 22.592 41.157 0.00 0.00 +ATOM 14388 H2 WAT X4100 61.049 23.756 41.764 0.00 0.00 +ATOM 14389 O WAT X4101 9.656 41.080 22.428 0.00 0.00 +ATOM 14390 H1 WAT X4101 10.179 40.943 21.638 0.00 0.00 +ATOM 14391 H2 WAT X4101 8.796 40.719 22.212 0.00 0.00 +ATOM 14392 O WAT X4102 5.290 25.132 40.838 0.00 0.00 +ATOM 14393 H1 WAT X4102 6.092 25.247 41.349 0.00 0.00 +ATOM 14394 H2 WAT X4102 4.892 26.002 40.818 0.00 0.00 +ATOM 14395 O WAT X4103 67.376 12.467 41.193 0.00 0.00 +ATOM 14396 H1 WAT X4103 66.620 13.055 41.198 0.00 0.00 +ATOM 14397 H2 WAT X4103 67.728 12.537 40.306 0.00 0.00 +ATOM 14398 O WAT X4104 30.246 22.309 57.183 0.00 0.00 +ATOM 14399 H1 WAT X4104 30.348 21.362 57.087 0.00 0.00 +ATOM 14400 H2 WAT X4104 30.687 22.676 56.416 0.00 0.00 +ATOM 14401 O WAT X4105 23.345 26.080 42.643 0.00 0.00 +ATOM 14402 H1 WAT X4105 23.584 25.644 41.826 0.00 0.00 +ATOM 14403 H2 WAT X4105 22.503 25.693 42.884 0.00 0.00 +ATOM 14404 O WAT X4106 34.982 61.950 4.449 0.00 0.00 +ATOM 14405 H1 WAT X4106 34.469 61.516 3.767 0.00 0.00 +ATOM 14406 H2 WAT X4106 35.582 62.522 3.970 0.00 0.00 +ATOM 14407 O WAT X4107 25.215 54.080 47.628 0.00 0.00 +ATOM 14408 H1 WAT X4107 25.462 53.247 48.030 0.00 0.00 +ATOM 14409 H2 WAT X4107 25.426 54.738 48.290 0.00 0.00 +ATOM 14410 O WAT X4108 30.577 34.608 48.107 0.00 0.00 +ATOM 14411 H1 WAT X4108 30.979 34.306 47.292 0.00 0.00 +ATOM 14412 H2 WAT X4108 29.937 33.929 48.323 0.00 0.00 +ATOM 14413 O WAT X4109 54.491 54.728 4.352 0.00 0.00 +ATOM 14414 H1 WAT X4109 53.727 55.058 3.879 0.00 0.00 +ATOM 14415 H2 WAT X4109 54.478 55.199 5.186 0.00 0.00 +ATOM 14416 O WAT X4110 18.514 36.063 6.715 0.00 0.00 +ATOM 14417 H1 WAT X4110 18.045 36.535 6.028 0.00 0.00 +ATOM 14418 H2 WAT X4110 19.429 36.079 6.435 0.00 0.00 +ATOM 14419 O WAT X4111 24.269 1.735 45.202 0.00 0.00 +ATOM 14420 H1 WAT X4111 23.607 2.060 44.592 0.00 0.00 +ATOM 14421 H2 WAT X4111 24.064 0.805 45.304 0.00 0.00 +ATOM 14422 O WAT X4112 9.896 41.380 46.588 0.00 0.00 +ATOM 14423 H1 WAT X4112 10.301 42.241 46.690 0.00 0.00 +ATOM 14424 H2 WAT X4112 9.235 41.343 47.280 0.00 0.00 +ATOM 14425 O WAT X4113 75.878 19.362 41.701 0.00 0.00 +ATOM 14426 H1 WAT X4113 76.762 19.147 41.402 0.00 0.00 +ATOM 14427 H2 WAT X4113 75.794 18.914 42.542 0.00 0.00 +ATOM 14428 O WAT X4114 6.173 31.424 8.920 0.00 0.00 +ATOM 14429 H1 WAT X4114 5.889 31.413 8.006 0.00 0.00 +ATOM 14430 H2 WAT X4114 6.560 30.560 9.062 0.00 0.00 +ATOM 14431 O WAT X4115 13.192 29.034 15.476 0.00 0.00 +ATOM 14432 H1 WAT X4115 12.617 29.709 15.837 0.00 0.00 +ATOM 14433 H2 WAT X4115 13.913 29.523 15.078 0.00 0.00 +ATOM 14434 O WAT X4116 5.604 31.786 44.393 0.00 0.00 +ATOM 14435 H1 WAT X4116 4.808 32.303 44.514 0.00 0.00 +ATOM 14436 H2 WAT X4116 6.147 32.002 45.152 0.00 0.00 +ATOM 14437 O WAT X4117 68.507 15.963 21.496 0.00 0.00 +ATOM 14438 H1 WAT X4117 68.421 16.575 20.765 0.00 0.00 +ATOM 14439 H2 WAT X4117 69.432 15.717 21.494 0.00 0.00 +ATOM 14440 O WAT X4118 7.669 53.456 21.815 0.00 0.00 +ATOM 14441 H1 WAT X4118 7.265 54.262 21.494 0.00 0.00 +ATOM 14442 H2 WAT X4118 8.589 53.531 21.560 0.00 0.00 +ATOM 14443 O WAT X4119 42.576 0.668 27.748 0.00 0.00 +ATOM 14444 H1 WAT X4119 43.299 0.908 27.169 0.00 0.00 +ATOM 14445 H2 WAT X4119 42.825 1.024 28.601 0.00 0.00 +ATOM 14446 O WAT X4120 33.186 13.326 39.818 0.00 0.00 +ATOM 14447 H1 WAT X4120 33.589 14.159 40.062 0.00 0.00 +ATOM 14448 H2 WAT X4120 32.371 13.573 39.382 0.00 0.00 +ATOM 14449 O WAT X4121 28.020 19.479 52.921 0.00 0.00 +ATOM 14450 H1 WAT X4121 27.998 19.219 53.842 0.00 0.00 +ATOM 14451 H2 WAT X4121 27.106 19.657 52.700 0.00 0.00 +ATOM 14452 O WAT X4122 8.484 11.471 35.621 0.00 0.00 +ATOM 14453 H1 WAT X4122 8.604 11.427 36.570 0.00 0.00 +ATOM 14454 H2 WAT X4122 7.880 12.202 35.490 0.00 0.00 +ATOM 14455 O WAT X4123 0.042 19.577 49.790 0.00 0.00 +ATOM 14456 H1 WAT X4123 0.509 19.521 48.956 0.00 0.00 +ATOM 14457 H2 WAT X4123 -0.506 18.793 49.811 0.00 0.00 +ATOM 14458 O WAT X4124 39.879 37.559 43.192 0.00 0.00 +ATOM 14459 H1 WAT X4124 39.069 38.017 43.415 0.00 0.00 +ATOM 14460 H2 WAT X4124 39.681 37.106 42.372 0.00 0.00 +ATOM 14461 O WAT X4125 38.234 19.474 48.017 0.00 0.00 +ATOM 14462 H1 WAT X4125 38.188 19.030 47.170 0.00 0.00 +ATOM 14463 H2 WAT X4125 37.970 18.807 48.651 0.00 0.00 +ATOM 14464 O WAT X4126 69.913 5.241 58.734 0.00 0.00 +ATOM 14465 H1 WAT X4126 70.041 5.529 57.830 0.00 0.00 +ATOM 14466 H2 WAT X4126 69.439 4.413 58.657 0.00 0.00 +ATOM 14467 O WAT X4127 24.050 51.488 52.063 0.00 0.00 +ATOM 14468 H1 WAT X4127 24.483 50.776 52.533 0.00 0.00 +ATOM 14469 H2 WAT X4127 24.377 51.418 51.167 0.00 0.00 +ATOM 14470 O WAT X4128 42.019 22.827 1.172 0.00 0.00 +ATOM 14471 H1 WAT X4128 42.719 23.422 1.438 0.00 0.00 +ATOM 14472 H2 WAT X4128 42.359 22.390 0.392 0.00 0.00 +ATOM 14473 O WAT X4129 26.793 10.705 0.108 0.00 0.00 +ATOM 14474 H1 WAT X4129 26.211 10.574 0.856 0.00 0.00 +ATOM 14475 H2 WAT X4129 26.687 11.629 -0.119 0.00 0.00 +ATOM 14476 O WAT X4130 25.382 48.580 10.957 0.00 0.00 +ATOM 14477 H1 WAT X4130 25.982 47.921 10.605 0.00 0.00 +ATOM 14478 H2 WAT X4130 25.774 49.417 10.709 0.00 0.00 +ATOM 14479 O WAT X4131 2.011 58.748 20.534 0.00 0.00 +ATOM 14480 H1 WAT X4131 1.610 59.238 21.252 0.00 0.00 +ATOM 14481 H2 WAT X4131 2.093 59.385 19.825 0.00 0.00 +ATOM 14482 O WAT X4132 27.649 9.166 31.869 0.00 0.00 +ATOM 14483 H1 WAT X4132 27.113 8.544 32.361 0.00 0.00 +ATOM 14484 H2 WAT X4132 28.478 9.197 32.346 0.00 0.00 +ATOM 14485 O WAT X4133 38.926 27.347 8.149 0.00 0.00 +ATOM 14486 H1 WAT X4133 38.314 27.918 8.613 0.00 0.00 +ATOM 14487 H2 WAT X4133 39.416 27.938 7.577 0.00 0.00 +ATOM 14488 O WAT X4134 51.002 58.527 43.249 0.00 0.00 +ATOM 14489 H1 WAT X4134 50.680 57.689 42.918 0.00 0.00 +ATOM 14490 H2 WAT X4134 50.238 59.103 43.224 0.00 0.00 +ATOM 14491 O WAT X4135 26.435 42.106 4.526 0.00 0.00 +ATOM 14492 H1 WAT X4135 25.672 42.385 4.020 0.00 0.00 +ATOM 14493 H2 WAT X4135 26.475 42.720 5.259 0.00 0.00 +ATOM 14494 O WAT X4136 12.690 7.874 41.397 0.00 0.00 +ATOM 14495 H1 WAT X4136 13.396 8.018 42.027 0.00 0.00 +ATOM 14496 H2 WAT X4136 13.109 7.418 40.667 0.00 0.00 +ATOM 14497 O WAT X4137 51.328 61.705 18.468 0.00 0.00 +ATOM 14498 H1 WAT X4137 50.429 62.010 18.588 0.00 0.00 +ATOM 14499 H2 WAT X4137 51.766 62.423 18.011 0.00 0.00 +ATOM 14500 O WAT X4138 70.543 57.488 57.530 0.00 0.00 +ATOM 14501 H1 WAT X4138 70.578 58.365 57.910 0.00 0.00 +ATOM 14502 H2 WAT X4138 71.227 57.490 56.859 0.00 0.00 +ATOM 14503 O WAT X4139 35.108 17.356 19.736 0.00 0.00 +ATOM 14504 H1 WAT X4139 35.889 17.906 19.672 0.00 0.00 +ATOM 14505 H2 WAT X4139 35.143 16.799 18.959 0.00 0.00 +ATOM 14506 O WAT X4140 49.643 60.209 16.450 0.00 0.00 +ATOM 14507 H1 WAT X4140 49.147 60.375 17.251 0.00 0.00 +ATOM 14508 H2 WAT X4140 50.151 59.420 16.642 0.00 0.00 +ATOM 14509 O WAT X4141 5.681 23.385 29.492 0.00 0.00 +ATOM 14510 H1 WAT X4141 5.961 22.498 29.721 0.00 0.00 +ATOM 14511 H2 WAT X4141 6.357 23.703 28.894 0.00 0.00 +ATOM 14512 O WAT X4142 69.484 33.642 35.195 0.00 0.00 +ATOM 14513 H1 WAT X4142 69.360 34.416 35.745 0.00 0.00 +ATOM 14514 H2 WAT X4142 70.179 33.148 35.630 0.00 0.00 +ATOM 14515 O WAT X4143 43.539 27.648 41.615 0.00 0.00 +ATOM 14516 H1 WAT X4143 43.347 27.365 40.721 0.00 0.00 +ATOM 14517 H2 WAT X4143 44.242 28.290 41.517 0.00 0.00 +ATOM 14518 O WAT X4144 42.093 7.679 53.417 0.00 0.00 +ATOM 14519 H1 WAT X4144 41.664 7.870 52.583 0.00 0.00 +ATOM 14520 H2 WAT X4144 41.910 8.444 53.962 0.00 0.00 +ATOM 14521 O WAT X4145 56.873 28.539 57.079 0.00 0.00 +ATOM 14522 H1 WAT X4145 56.605 29.457 57.039 0.00 0.00 +ATOM 14523 H2 WAT X4145 57.676 28.547 57.600 0.00 0.00 +ATOM 14524 O WAT X4146 1.203 11.586 28.842 0.00 0.00 +ATOM 14525 H1 WAT X4146 1.389 12.485 29.114 0.00 0.00 +ATOM 14526 H2 WAT X4146 0.368 11.377 29.260 0.00 0.00 +ATOM 14527 O WAT X4147 51.770 19.428 58.099 0.00 0.00 +ATOM 14528 H1 WAT X4147 50.818 19.461 58.009 0.00 0.00 +ATOM 14529 H2 WAT X4147 51.920 19.375 59.043 0.00 0.00 +ATOM 14530 O WAT X4148 8.809 61.908 4.385 0.00 0.00 +ATOM 14531 H1 WAT X4148 8.181 61.558 3.753 0.00 0.00 +ATOM 14532 H2 WAT X4148 9.591 61.368 4.270 0.00 0.00 +ATOM 14533 O WAT X4149 1.013 7.467 57.703 0.00 0.00 +ATOM 14534 H1 WAT X4149 0.623 6.977 56.979 0.00 0.00 +ATOM 14535 H2 WAT X4149 1.111 6.821 58.403 0.00 0.00 +ATOM 14536 O WAT X4150 69.828 55.800 19.080 0.00 0.00 +ATOM 14537 H1 WAT X4150 70.245 56.207 19.839 0.00 0.00 +ATOM 14538 H2 WAT X4150 69.497 56.536 18.566 0.00 0.00 +ATOM 14539 O WAT X4151 12.247 32.383 13.957 0.00 0.00 +ATOM 14540 H1 WAT X4151 12.540 32.599 14.842 0.00 0.00 +ATOM 14541 H2 WAT X4151 11.479 31.827 14.088 0.00 0.00 +ATOM 14542 O WAT X4152 68.164 51.887 47.584 0.00 0.00 +ATOM 14543 H1 WAT X4152 68.108 50.933 47.649 0.00 0.00 +ATOM 14544 H2 WAT X4152 67.320 52.199 47.911 0.00 0.00 +ATOM 14545 O WAT X4153 65.397 29.748 49.879 0.00 0.00 +ATOM 14546 H1 WAT X4153 65.430 29.830 50.832 0.00 0.00 +ATOM 14547 H2 WAT X4153 65.839 28.919 49.695 0.00 0.00 +ATOM 14548 O WAT X4154 22.969 16.067 21.894 0.00 0.00 +ATOM 14549 H1 WAT X4154 23.128 15.606 21.070 0.00 0.00 +ATOM 14550 H2 WAT X4154 22.533 15.421 22.449 0.00 0.00 +ATOM 14551 O WAT X4155 22.592 52.188 42.110 0.00 0.00 +ATOM 14552 H1 WAT X4155 21.920 52.621 42.636 0.00 0.00 +ATOM 14553 H2 WAT X4155 23.397 52.289 42.618 0.00 0.00 +ATOM 14554 O WAT X4156 77.062 3.176 40.062 0.00 0.00 +ATOM 14555 H1 WAT X4156 77.501 2.456 40.514 0.00 0.00 +ATOM 14556 H2 WAT X4156 77.658 3.413 39.352 0.00 0.00 +ATOM 14557 O WAT X4157 14.497 56.210 57.553 0.00 0.00 +ATOM 14558 H1 WAT X4157 13.847 56.070 56.865 0.00 0.00 +ATOM 14559 H2 WAT X4157 14.757 57.126 57.455 0.00 0.00 +ATOM 14560 O WAT X4158 42.981 4.742 50.519 0.00 0.00 +ATOM 14561 H1 WAT X4158 42.967 5.625 50.150 0.00 0.00 +ATOM 14562 H2 WAT X4158 42.281 4.744 51.172 0.00 0.00 +ATOM 14563 O WAT X4159 38.649 10.538 46.599 0.00 0.00 +ATOM 14564 H1 WAT X4159 39.004 11.092 45.904 0.00 0.00 +ATOM 14565 H2 WAT X4159 39.317 10.556 47.284 0.00 0.00 +ATOM 14566 O WAT X4160 56.866 1.008 49.761 0.00 0.00 +ATOM 14567 H1 WAT X4160 56.099 0.644 49.320 0.00 0.00 +ATOM 14568 H2 WAT X4160 57.537 0.330 49.674 0.00 0.00 +ATOM 14569 O WAT X4161 60.708 9.956 48.900 0.00 0.00 +ATOM 14570 H1 WAT X4161 60.481 10.867 49.085 0.00 0.00 +ATOM 14571 H2 WAT X4161 60.812 9.924 47.949 0.00 0.00 +ATOM 14572 O WAT X4162 77.832 50.150 0.991 0.00 0.00 +ATOM 14573 H1 WAT X4162 77.578 49.325 0.576 0.00 0.00 +ATOM 14574 H2 WAT X4162 78.466 50.536 0.387 0.00 0.00 +ATOM 14575 O WAT X4163 32.563 39.776 11.998 0.00 0.00 +ATOM 14576 H1 WAT X4163 31.706 39.785 12.424 0.00 0.00 +ATOM 14577 H2 WAT X4163 33.144 39.364 12.637 0.00 0.00 +ATOM 14578 O WAT X4164 24.598 54.024 34.114 0.00 0.00 +ATOM 14579 H1 WAT X4164 25.361 54.076 34.690 0.00 0.00 +ATOM 14580 H2 WAT X4164 23.867 54.313 34.660 0.00 0.00 +ATOM 14581 O WAT X4165 60.468 36.045 14.933 0.00 0.00 +ATOM 14582 H1 WAT X4165 59.558 36.251 14.719 0.00 0.00 +ATOM 14583 H2 WAT X4165 60.630 36.507 15.755 0.00 0.00 +ATOM 14584 O WAT X4166 18.192 55.595 19.195 0.00 0.00 +ATOM 14585 H1 WAT X4166 18.726 54.865 19.506 0.00 0.00 +ATOM 14586 H2 WAT X4166 17.731 55.904 19.974 0.00 0.00 +ATOM 14587 O WAT X4167 70.773 60.082 49.506 0.00 0.00 +ATOM 14588 H1 WAT X4167 71.477 59.909 50.132 0.00 0.00 +ATOM 14589 H2 WAT X4167 71.224 60.379 48.716 0.00 0.00 +ATOM 14590 O WAT X4168 62.917 60.445 3.127 0.00 0.00 +ATOM 14591 H1 WAT X4168 63.311 61.229 3.509 0.00 0.00 +ATOM 14592 H2 WAT X4168 62.840 60.646 2.194 0.00 0.00 +ATOM 14593 O WAT X4169 0.343 46.047 30.127 0.00 0.00 +ATOM 14594 H1 WAT X4169 0.273 46.639 30.876 0.00 0.00 +ATOM 14595 H2 WAT X4169 0.415 45.175 30.516 0.00 0.00 +ATOM 14596 O WAT X4170 52.820 50.971 16.820 0.00 0.00 +ATOM 14597 H1 WAT X4170 52.723 50.138 17.283 0.00 0.00 +ATOM 14598 H2 WAT X4170 52.689 51.637 17.495 0.00 0.00 +ATOM 14599 O WAT X4171 68.160 13.101 49.827 0.00 0.00 +ATOM 14600 H1 WAT X4171 69.008 12.989 49.396 0.00 0.00 +ATOM 14601 H2 WAT X4171 68.291 13.838 50.424 0.00 0.00 +ATOM 14602 O WAT X4172 26.324 39.208 57.052 0.00 0.00 +ATOM 14603 H1 WAT X4172 26.544 40.008 57.529 0.00 0.00 +ATOM 14604 H2 WAT X4172 25.454 39.377 56.690 0.00 0.00 +ATOM 14605 O WAT X4173 56.680 50.621 37.167 0.00 0.00 +ATOM 14606 H1 WAT X4173 57.373 50.764 36.523 0.00 0.00 +ATOM 14607 H2 WAT X4173 55.939 51.129 36.837 0.00 0.00 +ATOM 14608 O WAT X4174 5.600 43.425 43.126 0.00 0.00 +ATOM 14609 H1 WAT X4174 6.335 43.002 42.684 0.00 0.00 +ATOM 14610 H2 WAT X4174 5.380 42.833 43.846 0.00 0.00 +ATOM 14611 O WAT X4175 10.797 30.557 16.139 0.00 0.00 +ATOM 14612 H1 WAT X4175 10.413 29.691 16.274 0.00 0.00 +ATOM 14613 H2 WAT X4175 10.467 30.834 15.284 0.00 0.00 +ATOM 14614 O WAT X4176 32.596 60.410 31.711 0.00 0.00 +ATOM 14615 H1 WAT X4176 33.143 59.638 31.563 0.00 0.00 +ATOM 14616 H2 WAT X4176 31.827 60.267 31.160 0.00 0.00 +ATOM 14617 O WAT X4177 25.632 63.217 27.354 0.00 0.00 +ATOM 14618 H1 WAT X4177 26.247 62.568 27.694 0.00 0.00 +ATOM 14619 H2 WAT X4177 25.833 63.269 26.419 0.00 0.00 +ATOM 14620 O WAT X4178 46.792 43.340 27.631 0.00 0.00 +ATOM 14621 H1 WAT X4178 46.299 42.820 28.265 0.00 0.00 +ATOM 14622 H2 WAT X4178 46.250 44.114 27.482 0.00 0.00 +ATOM 14623 O WAT X4179 21.794 18.256 24.420 0.00 0.00 +ATOM 14624 H1 WAT X4179 22.059 18.017 25.308 0.00 0.00 +ATOM 14625 H2 WAT X4179 22.616 18.333 23.936 0.00 0.00 +ATOM 14626 O WAT X4180 7.706 54.078 16.188 0.00 0.00 +ATOM 14627 H1 WAT X4180 7.057 54.424 16.800 0.00 0.00 +ATOM 14628 H2 WAT X4180 7.239 54.012 15.355 0.00 0.00 +ATOM 14629 O WAT X4181 25.950 47.676 50.056 0.00 0.00 +ATOM 14630 H1 WAT X4181 25.373 47.227 49.439 0.00 0.00 +ATOM 14631 H2 WAT X4181 25.556 47.516 50.913 0.00 0.00 +ATOM 14632 O WAT X4182 26.018 41.713 48.667 0.00 0.00 +ATOM 14633 H1 WAT X4182 26.350 42.598 48.521 0.00 0.00 +ATOM 14634 H2 WAT X4182 25.191 41.841 49.131 0.00 0.00 +ATOM 14635 O WAT X4183 35.825 0.617 43.407 0.00 0.00 +ATOM 14636 H1 WAT X4183 35.111 0.534 42.775 0.00 0.00 +ATOM 14637 H2 WAT X4183 35.596 1.388 43.927 0.00 0.00 +ATOM 14638 O WAT X4184 71.790 47.279 33.387 0.00 0.00 +ATOM 14639 H1 WAT X4184 72.025 46.911 32.535 0.00 0.00 +ATOM 14640 H2 WAT X4184 72.451 47.953 33.548 0.00 0.00 +ATOM 14641 O WAT X4185 29.436 58.154 10.762 0.00 0.00 +ATOM 14642 H1 WAT X4185 30.370 58.364 10.736 0.00 0.00 +ATOM 14643 H2 WAT X4185 29.405 57.198 10.764 0.00 0.00 +ATOM 14644 O WAT X4186 63.204 40.535 0.781 0.00 0.00 +ATOM 14645 H1 WAT X4186 63.206 41.241 1.428 0.00 0.00 +ATOM 14646 H2 WAT X4186 63.749 39.851 1.171 0.00 0.00 +ATOM 14647 O WAT X4187 40.208 13.242 20.754 0.00 0.00 +ATOM 14648 H1 WAT X4187 40.551 13.862 20.111 0.00 0.00 +ATOM 14649 H2 WAT X4187 40.316 13.686 21.595 0.00 0.00 +ATOM 14650 O WAT X4188 51.429 54.080 6.486 0.00 0.00 +ATOM 14651 H1 WAT X4188 52.295 54.451 6.653 0.00 0.00 +ATOM 14652 H2 WAT X4188 51.605 53.211 6.126 0.00 0.00 +ATOM 14653 O WAT X4189 31.872 57.999 41.474 0.00 0.00 +ATOM 14654 H1 WAT X4189 31.272 57.510 40.910 0.00 0.00 +ATOM 14655 H2 WAT X4189 32.708 57.979 41.008 0.00 0.00 +ATOM 14656 O WAT X4190 24.968 41.810 15.785 0.00 0.00 +ATOM 14657 H1 WAT X4190 24.484 42.626 15.911 0.00 0.00 +ATOM 14658 H2 WAT X4190 25.056 41.445 16.666 0.00 0.00 +ATOM 14659 O WAT X4191 33.873 32.553 13.311 0.00 0.00 +ATOM 14660 H1 WAT X4191 34.269 31.771 12.928 0.00 0.00 +ATOM 14661 H2 WAT X4191 32.975 32.555 12.978 0.00 0.00 +ATOM 14662 O WAT X4192 22.795 1.601 47.849 0.00 0.00 +ATOM 14663 H1 WAT X4192 22.851 0.801 47.328 0.00 0.00 +ATOM 14664 H2 WAT X4192 22.004 2.038 47.532 0.00 0.00 +ATOM 14665 O WAT X4193 0.326 6.340 55.039 0.00 0.00 +ATOM 14666 H1 WAT X4193 -0.166 5.519 55.022 0.00 0.00 +ATOM 14667 H2 WAT X4193 1.023 6.214 54.396 0.00 0.00 +ATOM 14668 O WAT X4194 59.931 8.947 12.105 0.00 0.00 +ATOM 14669 H1 WAT X4194 59.984 9.679 12.720 0.00 0.00 +ATOM 14670 H2 WAT X4194 59.283 8.357 12.489 0.00 0.00 +ATOM 14671 O WAT X4195 41.719 20.294 2.315 0.00 0.00 +ATOM 14672 H1 WAT X4195 41.628 21.234 2.159 0.00 0.00 +ATOM 14673 H2 WAT X4195 41.261 20.143 3.143 0.00 0.00 +ATOM 14674 O WAT X4196 50.376 27.465 7.581 0.00 0.00 +ATOM 14675 H1 WAT X4196 49.573 26.946 7.630 0.00 0.00 +ATOM 14676 H2 WAT X4196 51.070 26.820 7.440 0.00 0.00 +ATOM 14677 O WAT X4197 65.528 32.567 40.549 0.00 0.00 +ATOM 14678 H1 WAT X4197 66.362 32.369 40.974 0.00 0.00 +ATOM 14679 H2 WAT X4197 65.386 33.498 40.720 0.00 0.00 +ATOM 14680 O WAT X4198 64.964 7.316 38.569 0.00 0.00 +ATOM 14681 H1 WAT X4198 64.203 6.738 38.614 0.00 0.00 +ATOM 14682 H2 WAT X4198 65.124 7.575 39.476 0.00 0.00 +ATOM 14683 O WAT X4199 30.602 18.120 49.085 0.00 0.00 +ATOM 14684 H1 WAT X4199 30.643 18.024 50.037 0.00 0.00 +ATOM 14685 H2 WAT X4199 29.738 18.498 48.920 0.00 0.00 +ATOM 14686 O WAT X4200 39.407 43.836 34.410 0.00 0.00 +ATOM 14687 H1 WAT X4200 38.999 43.120 34.898 0.00 0.00 +ATOM 14688 H2 WAT X4200 39.292 44.603 34.970 0.00 0.00 +ATOM 14689 O WAT X4201 50.055 17.555 31.933 0.00 0.00 +ATOM 14690 H1 WAT X4201 50.040 16.663 32.278 0.00 0.00 +ATOM 14691 H2 WAT X4201 50.964 17.694 31.665 0.00 0.00 +ATOM 14692 O WAT X4202 70.765 43.988 28.925 0.00 0.00 +ATOM 14693 H1 WAT X4202 70.060 44.620 29.065 0.00 0.00 +ATOM 14694 H2 WAT X4202 70.752 43.820 27.982 0.00 0.00 +ATOM 14695 O WAT X4203 54.624 19.848 18.295 0.00 0.00 +ATOM 14696 H1 WAT X4203 54.710 19.909 19.247 0.00 0.00 +ATOM 14697 H2 WAT X4203 54.402 20.736 18.017 0.00 0.00 +ATOM 14698 O WAT X4204 36.316 33.911 50.017 0.00 0.00 +ATOM 14699 H1 WAT X4204 36.077 33.697 50.918 0.00 0.00 +ATOM 14700 H2 WAT X4204 35.517 33.756 49.514 0.00 0.00 +ATOM 14701 O WAT X4205 27.793 0.962 5.784 0.00 0.00 +ATOM 14702 H1 WAT X4205 28.564 0.806 5.240 0.00 0.00 +ATOM 14703 H2 WAT X4205 27.990 0.522 6.611 0.00 0.00 +ATOM 14704 O WAT X4206 42.348 47.169 8.539 0.00 0.00 +ATOM 14705 H1 WAT X4206 42.386 46.216 8.622 0.00 0.00 +ATOM 14706 H2 WAT X4206 43.213 47.416 8.212 0.00 0.00 +ATOM 14707 O WAT X4207 66.783 49.737 36.594 0.00 0.00 +ATOM 14708 H1 WAT X4207 66.005 50.201 36.905 0.00 0.00 +ATOM 14709 H2 WAT X4207 66.492 48.833 36.480 0.00 0.00 +ATOM 14710 O WAT X4208 45.806 51.694 9.836 0.00 0.00 +ATOM 14711 H1 WAT X4208 46.556 51.952 10.372 0.00 0.00 +ATOM 14712 H2 WAT X4208 46.190 51.422 9.002 0.00 0.00 +ATOM 14713 O WAT X4209 60.150 10.094 24.669 0.00 0.00 +ATOM 14714 H1 WAT X4209 59.685 10.826 25.073 0.00 0.00 +ATOM 14715 H2 WAT X4209 59.464 9.461 24.458 0.00 0.00 +ATOM 14716 O WAT X4210 20.286 4.880 33.124 0.00 0.00 +ATOM 14717 H1 WAT X4210 20.916 4.663 33.811 0.00 0.00 +ATOM 14718 H2 WAT X4210 20.605 4.414 32.351 0.00 0.00 +ATOM 14719 O WAT X4211 73.159 40.385 53.746 0.00 0.00 +ATOM 14720 H1 WAT X4211 72.448 41.015 53.860 0.00 0.00 +ATOM 14721 H2 WAT X4211 73.838 40.675 54.355 0.00 0.00 +ATOM 14722 O WAT X4212 27.583 36.402 45.001 0.00 0.00 +ATOM 14723 H1 WAT X4212 27.739 37.213 44.517 0.00 0.00 +ATOM 14724 H2 WAT X4212 28.293 35.821 44.729 0.00 0.00 +ATOM 14725 O WAT X4213 70.577 21.021 34.170 0.00 0.00 +ATOM 14726 H1 WAT X4213 70.662 21.179 33.230 0.00 0.00 +ATOM 14727 H2 WAT X4213 71.283 20.407 34.374 0.00 0.00 +ATOM 14728 O WAT X4214 15.746 50.497 48.291 0.00 0.00 +ATOM 14729 H1 WAT X4214 15.675 50.582 49.241 0.00 0.00 +ATOM 14730 H2 WAT X4214 15.088 51.101 47.947 0.00 0.00 +ATOM 14731 O WAT X4215 5.264 60.552 52.331 0.00 0.00 +ATOM 14732 H1 WAT X4215 5.954 61.171 52.095 0.00 0.00 +ATOM 14733 H2 WAT X4215 5.076 60.741 53.250 0.00 0.00 +ATOM 14734 O WAT X4216 49.601 50.401 26.114 0.00 0.00 +ATOM 14735 H1 WAT X4216 49.839 49.705 25.501 0.00 0.00 +ATOM 14736 H2 WAT X4216 50.438 50.715 26.457 0.00 0.00 +ATOM 14737 O WAT X4217 5.903 56.818 8.983 0.00 0.00 +ATOM 14738 H1 WAT X4217 6.010 56.949 8.041 0.00 0.00 +ATOM 14739 H2 WAT X4217 5.748 57.696 9.331 0.00 0.00 +ATOM 14740 O WAT X4218 52.760 53.247 53.808 0.00 0.00 +ATOM 14741 H1 WAT X4218 52.848 52.314 54.004 0.00 0.00 +ATOM 14742 H2 WAT X4218 53.457 53.665 54.314 0.00 0.00 +ATOM 14743 O WAT X4219 38.700 43.459 37.457 0.00 0.00 +ATOM 14744 H1 WAT X4219 38.024 44.107 37.259 0.00 0.00 +ATOM 14745 H2 WAT X4219 39.175 43.829 38.201 0.00 0.00 +ATOM 14746 O WAT X4220 11.846 1.988 26.573 0.00 0.00 +ATOM 14747 H1 WAT X4220 11.774 1.065 26.330 0.00 0.00 +ATOM 14748 H2 WAT X4220 12.703 2.257 26.241 0.00 0.00 +ATOM 14749 O WAT X4221 25.827 31.491 3.023 0.00 0.00 +ATOM 14750 H1 WAT X4221 25.901 31.777 2.113 0.00 0.00 +ATOM 14751 H2 WAT X4221 25.280 30.707 2.984 0.00 0.00 +ATOM 14752 O WAT X4222 65.067 5.005 19.082 0.00 0.00 +ATOM 14753 H1 WAT X4222 65.404 5.801 19.493 0.00 0.00 +ATOM 14754 H2 WAT X4222 65.643 4.310 19.400 0.00 0.00 +ATOM 14755 O WAT X4223 61.653 58.945 26.928 0.00 0.00 +ATOM 14756 H1 WAT X4223 62.096 58.825 27.768 0.00 0.00 +ATOM 14757 H2 WAT X4223 61.819 58.132 26.452 0.00 0.00 +ATOM 14758 O WAT X4224 50.791 43.990 56.681 0.00 0.00 +ATOM 14759 H1 WAT X4224 50.213 43.299 56.358 0.00 0.00 +ATOM 14760 H2 WAT X4224 50.801 43.868 57.631 0.00 0.00 +ATOM 14761 O WAT X4225 34.180 8.815 57.593 0.00 0.00 +ATOM 14762 H1 WAT X4225 33.378 8.374 57.313 0.00 0.00 +ATOM 14763 H2 WAT X4225 33.885 9.666 57.916 0.00 0.00 +ATOM 14764 O WAT X4226 30.663 51.114 45.351 0.00 0.00 +ATOM 14765 H1 WAT X4226 30.674 50.473 46.062 0.00 0.00 +ATOM 14766 H2 WAT X4226 30.240 50.658 44.624 0.00 0.00 +ATOM 14767 O WAT X4227 26.354 29.634 56.452 0.00 0.00 +ATOM 14768 H1 WAT X4227 26.927 29.760 55.696 0.00 0.00 +ATOM 14769 H2 WAT X4227 25.840 30.439 56.500 0.00 0.00 +ATOM 14770 O WAT X4228 38.629 45.980 36.123 0.00 0.00 +ATOM 14771 H1 WAT X4228 37.804 46.454 36.015 0.00 0.00 +ATOM 14772 H2 WAT X4228 39.231 46.404 35.512 0.00 0.00 +ATOM 14773 O WAT X4229 70.682 30.473 41.706 0.00 0.00 +ATOM 14774 H1 WAT X4229 71.188 30.777 42.459 0.00 0.00 +ATOM 14775 H2 WAT X4229 69.915 31.045 41.687 0.00 0.00 +ATOM 14776 O WAT X4230 35.808 37.006 0.848 0.00 0.00 +ATOM 14777 H1 WAT X4230 36.151 37.889 0.715 0.00 0.00 +ATOM 14778 H2 WAT X4230 36.297 36.669 1.599 0.00 0.00 +ATOM 14779 O WAT X4231 32.108 52.135 10.860 0.00 0.00 +ATOM 14780 H1 WAT X4231 32.684 52.467 11.548 0.00 0.00 +ATOM 14781 H2 WAT X4231 32.135 51.184 10.963 0.00 0.00 +ATOM 14782 O WAT X4232 29.145 41.130 1.349 0.00 0.00 +ATOM 14783 H1 WAT X4232 29.731 40.408 1.122 0.00 0.00 +ATOM 14784 H2 WAT X4232 29.279 41.774 0.654 0.00 0.00 +ATOM 14785 O WAT X4233 23.055 34.032 2.878 0.00 0.00 +ATOM 14786 H1 WAT X4233 23.481 33.656 2.108 0.00 0.00 +ATOM 14787 H2 WAT X4233 23.714 33.974 3.570 0.00 0.00 +ATOM 14788 O WAT X4234 32.506 39.009 47.591 0.00 0.00 +ATOM 14789 H1 WAT X4234 32.270 39.624 48.285 0.00 0.00 +ATOM 14790 H2 WAT X4234 33.132 38.413 48.001 0.00 0.00 +ATOM 14791 O WAT X4235 4.876 61.150 29.069 0.00 0.00 +ATOM 14792 H1 WAT X4235 5.442 60.404 29.269 0.00 0.00 +ATOM 14793 H2 WAT X4235 4.592 61.472 29.925 0.00 0.00 +ATOM 14794 O WAT X4236 24.683 25.836 1.005 0.00 0.00 +ATOM 14795 H1 WAT X4236 25.444 25.691 1.567 0.00 0.00 +ATOM 14796 H2 WAT X4236 25.019 26.357 0.276 0.00 0.00 +ATOM 14797 O WAT X4237 67.865 55.143 30.936 0.00 0.00 +ATOM 14798 H1 WAT X4237 67.217 54.568 30.531 0.00 0.00 +ATOM 14799 H2 WAT X4237 67.374 55.627 31.600 0.00 0.00 +ATOM 14800 O WAT X4238 18.288 61.796 56.313 0.00 0.00 +ATOM 14801 H1 WAT X4238 18.501 61.711 57.243 0.00 0.00 +ATOM 14802 H2 WAT X4238 17.384 61.489 56.245 0.00 0.00 +ATOM 14803 O WAT X4239 47.929 39.506 57.605 0.00 0.00 +ATOM 14804 H1 WAT X4239 48.817 39.148 57.605 0.00 0.00 +ATOM 14805 H2 WAT X4239 47.371 38.763 57.833 0.00 0.00 +ATOM 14806 O WAT X4240 19.979 33.115 5.728 0.00 0.00 +ATOM 14807 H1 WAT X4240 20.678 33.739 5.921 0.00 0.00 +ATOM 14808 H2 WAT X4240 19.186 33.531 6.065 0.00 0.00 +ATOM 14809 O WAT X4241 14.364 43.275 28.696 0.00 0.00 +ATOM 14810 H1 WAT X4241 13.511 43.297 28.262 0.00 0.00 +ATOM 14811 H2 WAT X4241 14.372 42.441 29.165 0.00 0.00 +ATOM 14812 O WAT X4242 36.581 47.785 34.909 0.00 0.00 +ATOM 14813 H1 WAT X4242 35.624 47.800 34.922 0.00 0.00 +ATOM 14814 H2 WAT X4242 36.839 48.598 35.344 0.00 0.00 +ATOM 14815 O WAT X4243 22.888 0.142 50.788 0.00 0.00 +ATOM 14816 H1 WAT X4243 22.764 0.905 50.223 0.00 0.00 +ATOM 14817 H2 WAT X4243 23.160 0.510 51.629 0.00 0.00 +ATOM 14818 O WAT X4244 69.243 47.636 20.688 0.00 0.00 +ATOM 14819 H1 WAT X4244 69.869 46.988 20.364 0.00 0.00 +ATOM 14820 H2 WAT X4244 69.782 48.386 20.939 0.00 0.00 +ATOM 14821 O WAT X4245 36.533 28.011 44.490 0.00 0.00 +ATOM 14822 H1 WAT X4245 36.701 27.081 44.645 0.00 0.00 +ATOM 14823 H2 WAT X4245 35.580 28.092 44.531 0.00 0.00 +ATOM 14824 O WAT X4246 45.286 44.533 36.943 0.00 0.00 +ATOM 14825 H1 WAT X4246 44.936 45.173 36.323 0.00 0.00 +ATOM 14826 H2 WAT X4246 45.727 45.061 37.608 0.00 0.00 +ATOM 14827 O WAT X4247 66.728 62.050 18.929 0.00 0.00 +ATOM 14828 H1 WAT X4247 66.235 62.067 19.750 0.00 0.00 +ATOM 14829 H2 WAT X4247 67.190 62.888 18.910 0.00 0.00 +ATOM 14830 O WAT X4248 31.481 17.497 36.845 0.00 0.00 +ATOM 14831 H1 WAT X4248 31.031 16.673 37.031 0.00 0.00 +ATOM 14832 H2 WAT X4248 31.813 17.786 37.695 0.00 0.00 +ATOM 14833 O WAT X4249 32.908 56.281 43.288 0.00 0.00 +ATOM 14834 H1 WAT X4249 32.090 56.167 43.772 0.00 0.00 +ATOM 14835 H2 WAT X4249 32.752 57.045 42.732 0.00 0.00 +ATOM 14836 O WAT X4250 9.600 40.159 14.584 0.00 0.00 +ATOM 14837 H1 WAT X4250 9.257 41.026 14.369 0.00 0.00 +ATOM 14838 H2 WAT X4250 9.401 40.046 15.513 0.00 0.00 +ATOM 14839 O WAT X4251 52.949 60.460 34.727 0.00 0.00 +ATOM 14840 H1 WAT X4251 52.366 61.145 34.398 0.00 0.00 +ATOM 14841 H2 WAT X4251 53.599 60.345 34.034 0.00 0.00 +ATOM 14842 O WAT X4252 2.739 4.801 7.312 0.00 0.00 +ATOM 14843 H1 WAT X4252 3.010 4.104 6.715 0.00 0.00 +ATOM 14844 H2 WAT X4252 3.309 5.538 7.095 0.00 0.00 +ATOM 14845 O WAT X4253 37.559 25.345 19.587 0.00 0.00 +ATOM 14846 H1 WAT X4253 38.232 25.954 19.891 0.00 0.00 +ATOM 14847 H2 WAT X4253 38.029 24.729 19.024 0.00 0.00 +ATOM 14848 O WAT X4254 34.653 26.211 43.066 0.00 0.00 +ATOM 14849 H1 WAT X4254 34.947 26.971 42.564 0.00 0.00 +ATOM 14850 H2 WAT X4254 35.329 25.550 42.918 0.00 0.00 +ATOM 14851 O WAT X4255 44.037 32.303 13.951 0.00 0.00 +ATOM 14852 H1 WAT X4255 44.195 31.361 13.879 0.00 0.00 +ATOM 14853 H2 WAT X4255 43.194 32.438 13.518 0.00 0.00 +ATOM 14854 O WAT X4256 50.264 61.709 24.447 0.00 0.00 +ATOM 14855 H1 WAT X4256 51.097 61.736 24.917 0.00 0.00 +ATOM 14856 H2 WAT X4256 50.131 62.607 24.143 0.00 0.00 +ATOM 14857 O WAT X4257 38.572 13.605 56.370 0.00 0.00 +ATOM 14858 H1 WAT X4257 37.860 14.244 56.404 0.00 0.00 +ATOM 14859 H2 WAT X4257 39.046 13.818 55.566 0.00 0.00 +ATOM 14860 O WAT X4258 34.115 61.393 43.824 0.00 0.00 +ATOM 14861 H1 WAT X4258 34.464 62.239 44.104 0.00 0.00 +ATOM 14862 H2 WAT X4258 33.796 61.548 42.935 0.00 0.00 +ATOM 14863 O WAT X4259 27.184 48.193 6.339 0.00 0.00 +ATOM 14864 H1 WAT X4259 26.466 48.162 6.970 0.00 0.00 +ATOM 14865 H2 WAT X4259 27.283 49.123 6.134 0.00 0.00 +ATOM 14866 O WAT X4260 23.170 13.770 53.297 0.00 0.00 +ATOM 14867 H1 WAT X4260 22.857 14.054 52.438 0.00 0.00 +ATOM 14868 H2 WAT X4260 22.835 12.879 53.392 0.00 0.00 +ATOM 14869 O WAT X4261 34.062 46.795 19.745 0.00 0.00 +ATOM 14870 H1 WAT X4261 33.641 47.653 19.777 0.00 0.00 +ATOM 14871 H2 WAT X4261 33.972 46.449 20.633 0.00 0.00 +ATOM 14872 O WAT X4262 42.377 53.074 10.800 0.00 0.00 +ATOM 14873 H1 WAT X4262 42.759 53.667 10.153 0.00 0.00 +ATOM 14874 H2 WAT X4262 41.760 52.539 10.300 0.00 0.00 +ATOM 14875 O WAT X4263 66.892 18.433 37.654 0.00 0.00 +ATOM 14876 H1 WAT X4263 67.826 18.226 37.669 0.00 0.00 +ATOM 14877 H2 WAT X4263 66.482 17.730 38.157 0.00 0.00 +ATOM 14878 O WAT X4264 65.531 27.466 25.849 0.00 0.00 +ATOM 14879 H1 WAT X4264 64.931 28.193 25.682 0.00 0.00 +ATOM 14880 H2 WAT X4264 65.245 27.107 26.689 0.00 0.00 +ATOM 14881 O WAT X4265 68.989 39.739 50.214 0.00 0.00 +ATOM 14882 H1 WAT X4265 68.481 38.928 50.245 0.00 0.00 +ATOM 14883 H2 WAT X4265 69.443 39.706 49.372 0.00 0.00 +ATOM 14884 O WAT X4266 51.377 1.157 6.571 0.00 0.00 +ATOM 14885 H1 WAT X4266 52.110 1.088 5.959 0.00 0.00 +ATOM 14886 H2 WAT X4266 51.588 0.535 7.268 0.00 0.00 +ATOM 14887 O WAT X4267 69.056 56.191 55.197 0.00 0.00 +ATOM 14888 H1 WAT X4267 68.967 56.248 54.246 0.00 0.00 +ATOM 14889 H2 WAT X4267 69.985 56.352 55.361 0.00 0.00 +ATOM 14890 O WAT X4268 44.073 50.539 15.281 0.00 0.00 +ATOM 14891 H1 WAT X4268 44.395 51.057 14.543 0.00 0.00 +ATOM 14892 H2 WAT X4268 43.124 50.665 15.266 0.00 0.00 +ATOM 14893 O WAT X4269 29.052 53.451 50.546 0.00 0.00 +ATOM 14894 H1 WAT X4269 29.323 53.039 49.726 0.00 0.00 +ATOM 14895 H2 WAT X4269 29.107 54.391 50.372 0.00 0.00 +ATOM 14896 O WAT X4270 66.612 40.304 41.344 0.00 0.00 +ATOM 14897 H1 WAT X4270 66.166 39.733 41.969 0.00 0.00 +ATOM 14898 H2 WAT X4270 66.433 41.190 41.659 0.00 0.00 +ATOM 14899 O WAT X4271 71.475 33.543 51.009 0.00 0.00 +ATOM 14900 H1 WAT X4271 72.408 33.742 51.076 0.00 0.00 +ATOM 14901 H2 WAT X4271 71.370 33.177 50.130 0.00 0.00 +ATOM 14902 O WAT X4272 42.659 54.868 3.771 0.00 0.00 +ATOM 14903 H1 WAT X4272 43.565 54.778 4.066 0.00 0.00 +ATOM 14904 H2 WAT X4272 42.707 55.464 3.024 0.00 0.00 +ATOM 14905 O WAT X4273 62.438 53.920 2.920 0.00 0.00 +ATOM 14906 H1 WAT X4273 62.918 53.144 2.630 0.00 0.00 +ATOM 14907 H2 WAT X4273 62.756 54.079 3.809 0.00 0.00 +ATOM 14908 O WAT X4274 26.821 38.975 41.469 0.00 0.00 +ATOM 14909 H1 WAT X4274 27.510 38.897 42.129 0.00 0.00 +ATOM 14910 H2 WAT X4274 26.106 39.421 41.922 0.00 0.00 +ATOM 14911 O WAT X4275 63.582 1.902 22.792 0.00 0.00 +ATOM 14912 H1 WAT X4275 63.840 2.687 22.309 0.00 0.00 +ATOM 14913 H2 WAT X4275 63.094 1.379 22.155 0.00 0.00 +ATOM 14914 O WAT X4276 26.751 33.569 15.095 0.00 0.00 +ATOM 14915 H1 WAT X4276 27.025 33.781 14.202 0.00 0.00 +ATOM 14916 H2 WAT X4276 25.944 33.066 14.984 0.00 0.00 +ATOM 14917 O WAT X4277 7.815 5.514 57.205 0.00 0.00 +ATOM 14918 H1 WAT X4277 7.139 4.998 56.764 0.00 0.00 +ATOM 14919 H2 WAT X4277 8.205 6.042 56.509 0.00 0.00 +ATOM 14920 O WAT X4278 34.727 30.255 48.619 0.00 0.00 +ATOM 14921 H1 WAT X4278 34.606 29.550 47.983 0.00 0.00 +ATOM 14922 H2 WAT X4278 34.163 30.015 49.354 0.00 0.00 +ATOM 14923 O WAT X4279 57.288 33.429 21.592 0.00 0.00 +ATOM 14924 H1 WAT X4279 56.419 33.703 21.301 0.00 0.00 +ATOM 14925 H2 WAT X4279 57.893 33.917 21.032 0.00 0.00 +ATOM 14926 O WAT X4280 57.355 56.303 43.411 0.00 0.00 +ATOM 14927 H1 WAT X4280 57.660 56.539 42.534 0.00 0.00 +ATOM 14928 H2 WAT X4280 58.092 55.833 43.802 0.00 0.00 +ATOM 14929 O WAT X4281 39.453 3.952 48.295 0.00 0.00 +ATOM 14930 H1 WAT X4281 39.121 4.751 48.704 0.00 0.00 +ATOM 14931 H2 WAT X4281 39.883 4.253 47.495 0.00 0.00 +ATOM 14932 O WAT X4282 29.939 52.292 56.379 0.00 0.00 +ATOM 14933 H1 WAT X4282 30.818 52.649 56.250 0.00 0.00 +ATOM 14934 H2 WAT X4282 30.086 51.433 56.776 0.00 0.00 +ATOM 14935 O WAT X4283 19.264 58.753 46.681 0.00 0.00 +ATOM 14936 H1 WAT X4283 19.065 57.819 46.757 0.00 0.00 +ATOM 14937 H2 WAT X4283 20.141 58.841 47.054 0.00 0.00 +ATOM 14938 O WAT X4284 19.459 18.436 18.239 0.00 0.00 +ATOM 14939 H1 WAT X4284 18.754 17.973 17.787 0.00 0.00 +ATOM 14940 H2 WAT X4284 20.217 18.341 17.663 0.00 0.00 +ATOM 14941 O WAT X4285 26.622 30.847 12.929 0.00 0.00 +ATOM 14942 H1 WAT X4285 26.198 30.892 12.072 0.00 0.00 +ATOM 14943 H2 WAT X4285 26.138 31.472 13.469 0.00 0.00 +ATOM 14944 O WAT X4286 76.373 37.639 40.100 0.00 0.00 +ATOM 14945 H1 WAT X4286 75.716 37.460 39.428 0.00 0.00 +ATOM 14946 H2 WAT X4286 76.981 38.250 39.683 0.00 0.00 +ATOM 14947 O WAT X4287 22.191 28.736 2.056 0.00 0.00 +ATOM 14948 H1 WAT X4287 22.175 29.429 2.716 0.00 0.00 +ATOM 14949 H2 WAT X4287 23.021 28.283 2.204 0.00 0.00 +ATOM 14950 O WAT X4288 45.837 5.900 14.075 0.00 0.00 +ATOM 14951 H1 WAT X4288 46.316 5.270 14.614 0.00 0.00 +ATOM 14952 H2 WAT X4288 45.408 5.366 13.407 0.00 0.00 +ATOM 14953 O WAT X4289 47.089 20.926 56.375 0.00 0.00 +ATOM 14954 H1 WAT X4289 47.107 21.753 55.894 0.00 0.00 +ATOM 14955 H2 WAT X4289 47.864 20.959 56.937 0.00 0.00 +ATOM 14956 O WAT X4290 7.930 44.750 18.228 0.00 0.00 +ATOM 14957 H1 WAT X4290 8.807 44.473 17.964 0.00 0.00 +ATOM 14958 H2 WAT X4290 8.077 45.345 18.963 0.00 0.00 +ATOM 14959 O WAT X4291 18.424 16.620 27.720 0.00 0.00 +ATOM 14960 H1 WAT X4291 17.703 17.083 28.146 0.00 0.00 +ATOM 14961 H2 WAT X4291 18.025 15.821 27.376 0.00 0.00 +ATOM 14962 O WAT X4292 56.014 59.688 8.978 0.00 0.00 +ATOM 14963 H1 WAT X4292 55.587 59.105 9.606 0.00 0.00 +ATOM 14964 H2 WAT X4292 55.295 60.176 8.577 0.00 0.00 +ATOM 14965 O WAT X4293 27.843 6.003 2.174 0.00 0.00 +ATOM 14966 H1 WAT X4293 27.339 5.359 2.673 0.00 0.00 +ATOM 14967 H2 WAT X4293 27.203 6.408 1.590 0.00 0.00 +ATOM 14968 O WAT X4294 41.692 26.356 18.362 0.00 0.00 +ATOM 14969 H1 WAT X4294 41.920 25.462 18.105 0.00 0.00 +ATOM 14970 H2 WAT X4294 41.414 26.279 19.274 0.00 0.00 +ATOM 14971 O WAT X4295 62.165 0.426 33.153 0.00 0.00 +ATOM 14972 H1 WAT X4295 61.734 -0.013 32.420 0.00 0.00 +ATOM 14973 H2 WAT X4295 62.995 0.737 32.791 0.00 0.00 +ATOM 14974 O WAT X4296 16.918 55.292 12.764 0.00 0.00 +ATOM 14975 H1 WAT X4296 16.850 56.164 13.152 0.00 0.00 +ATOM 14976 H2 WAT X4296 16.018 54.968 12.744 0.00 0.00 +ATOM 14977 O WAT X4297 56.522 57.806 2.417 0.00 0.00 +ATOM 14978 H1 WAT X4297 56.260 56.905 2.225 0.00 0.00 +ATOM 14979 H2 WAT X4297 55.702 58.300 2.411 0.00 0.00 +ATOM 14980 O WAT X4298 39.638 6.100 43.671 0.00 0.00 +ATOM 14981 H1 WAT X4298 39.693 6.569 44.503 0.00 0.00 +ATOM 14982 H2 WAT X4298 39.873 6.754 43.012 0.00 0.00 +ATOM 14983 O WAT X4299 22.616 40.762 47.266 0.00 0.00 +ATOM 14984 H1 WAT X4299 22.779 41.654 46.957 0.00 0.00 +ATOM 14985 H2 WAT X4299 23.257 40.226 46.799 0.00 0.00 +ATOM 14986 O WAT X4300 69.351 51.206 10.455 0.00 0.00 +ATOM 14987 H1 WAT X4300 68.772 51.967 10.491 0.00 0.00 +ATOM 14988 H2 WAT X4300 68.761 50.460 10.351 0.00 0.00 +ATOM 14989 O WAT X4301 14.132 60.019 17.700 0.00 0.00 +ATOM 14990 H1 WAT X4301 13.304 59.909 18.167 0.00 0.00 +ATOM 14991 H2 WAT X4301 13.927 59.789 16.793 0.00 0.00 +ATOM 14992 O WAT X4302 38.195 18.360 45.740 0.00 0.00 +ATOM 14993 H1 WAT X4302 37.503 17.728 45.542 0.00 0.00 +ATOM 14994 H2 WAT X4302 38.118 19.023 45.054 0.00 0.00 +ATOM 14995 O WAT X4303 35.419 55.214 10.962 0.00 0.00 +ATOM 14996 H1 WAT X4303 35.210 56.093 11.278 0.00 0.00 +ATOM 14997 H2 WAT X4303 36.120 55.349 10.324 0.00 0.00 +ATOM 14998 O WAT X4304 41.055 39.227 22.934 0.00 0.00 +ATOM 14999 H1 WAT X4304 41.072 40.172 23.087 0.00 0.00 +ATOM 15000 H2 WAT X4304 40.549 39.124 22.128 0.00 0.00 +ATOM 15001 O WAT X4305 38.179 38.127 24.271 0.00 0.00 +ATOM 15002 H1 WAT X4305 38.820 37.418 24.248 0.00 0.00 +ATOM 15003 H2 WAT X4305 38.639 38.878 23.896 0.00 0.00 +ATOM 15004 O WAT X4306 22.325 19.950 7.725 0.00 0.00 +ATOM 15005 H1 WAT X4306 22.930 20.274 7.057 0.00 0.00 +ATOM 15006 H2 WAT X4306 22.886 19.730 8.469 0.00 0.00 +ATOM 15007 O WAT X4307 14.637 52.633 52.275 0.00 0.00 +ATOM 15008 H1 WAT X4307 14.563 52.843 53.206 0.00 0.00 +ATOM 15009 H2 WAT X4307 14.253 53.387 51.828 0.00 0.00 +ATOM 15010 O WAT X4308 59.128 40.054 52.259 0.00 0.00 +ATOM 15011 H1 WAT X4308 58.787 39.214 51.952 0.00 0.00 +ATOM 15012 H2 WAT X4308 58.446 40.686 52.035 0.00 0.00 +ATOM 15013 O WAT X4309 36.196 57.764 3.334 0.00 0.00 +ATOM 15014 H1 WAT X4309 35.254 57.900 3.436 0.00 0.00 +ATOM 15015 H2 WAT X4309 36.436 57.193 4.063 0.00 0.00 +ATOM 15016 O WAT X4310 52.055 1.341 23.188 0.00 0.00 +ATOM 15017 H1 WAT X4310 51.703 1.494 22.312 0.00 0.00 +ATOM 15018 H2 WAT X4310 51.517 1.887 23.761 0.00 0.00 +ATOM 15019 O WAT X4311 69.053 34.208 2.713 0.00 0.00 +ATOM 15020 H1 WAT X4311 68.815 35.052 3.096 0.00 0.00 +ATOM 15021 H2 WAT X4311 69.820 34.397 2.174 0.00 0.00 +ATOM 15022 O WAT X4312 10.392 23.322 18.718 0.00 0.00 +ATOM 15023 H1 WAT X4312 10.518 22.403 18.956 0.00 0.00 +ATOM 15024 H2 WAT X4312 9.847 23.678 19.420 0.00 0.00 +ATOM 15025 O WAT X4313 19.957 28.325 0.500 0.00 0.00 +ATOM 15026 H1 WAT X4313 20.718 28.298 1.080 0.00 0.00 +ATOM 15027 H2 WAT X4313 19.428 29.050 0.833 0.00 0.00 +ATOM 15028 O WAT X4314 17.717 40.214 4.915 0.00 0.00 +ATOM 15029 H1 WAT X4314 17.066 40.371 5.599 0.00 0.00 +ATOM 15030 H2 WAT X4314 17.235 39.755 4.227 0.00 0.00 +ATOM 15031 O WAT X4315 13.461 19.109 26.286 0.00 0.00 +ATOM 15032 H1 WAT X4315 12.622 19.291 26.709 0.00 0.00 +ATOM 15033 H2 WAT X4315 13.567 19.817 25.650 0.00 0.00 +ATOM 15034 O WAT X4316 56.478 4.658 34.464 0.00 0.00 +ATOM 15035 H1 WAT X4316 57.182 5.297 34.575 0.00 0.00 +ATOM 15036 H2 WAT X4316 56.727 3.927 35.029 0.00 0.00 +ATOM 15037 O WAT X4317 41.501 31.754 54.957 0.00 0.00 +ATOM 15038 H1 WAT X4317 41.731 31.747 55.886 0.00 0.00 +ATOM 15039 H2 WAT X4317 41.133 30.885 54.795 0.00 0.00 +ATOM 15040 O WAT X4318 47.647 40.379 53.824 0.00 0.00 +ATOM 15041 H1 WAT X4318 48.083 41.218 53.677 0.00 0.00 +ATOM 15042 H2 WAT X4318 48.290 39.724 53.554 0.00 0.00 +ATOM 15043 O WAT X4319 11.258 9.471 22.791 0.00 0.00 +ATOM 15044 H1 WAT X4319 11.836 8.784 23.121 0.00 0.00 +ATOM 15045 H2 WAT X4319 10.867 9.853 23.577 0.00 0.00 +ATOM 15046 O WAT X4320 3.292 31.771 47.759 0.00 0.00 +ATOM 15047 H1 WAT X4320 3.470 31.640 48.691 0.00 0.00 +ATOM 15048 H2 WAT X4320 3.451 30.914 47.363 0.00 0.00 +ATOM 15049 O WAT X4321 59.704 51.695 12.383 0.00 0.00 +ATOM 15050 H1 WAT X4321 59.357 51.427 13.234 0.00 0.00 +ATOM 15051 H2 WAT X4321 58.979 52.159 11.964 0.00 0.00 +ATOM 15052 O WAT X4322 52.329 46.027 19.476 0.00 0.00 +ATOM 15053 H1 WAT X4322 52.268 46.330 20.382 0.00 0.00 +ATOM 15054 H2 WAT X4322 52.977 45.323 19.502 0.00 0.00 +ATOM 15055 O WAT X4323 36.814 15.078 21.854 0.00 0.00 +ATOM 15056 H1 WAT X4323 37.054 14.967 22.774 0.00 0.00 +ATOM 15057 H2 WAT X4323 35.888 15.322 21.876 0.00 0.00 +ATOM 15058 O WAT X4324 66.478 29.853 42.021 0.00 0.00 +ATOM 15059 H1 WAT X4324 66.971 29.248 42.576 0.00 0.00 +ATOM 15060 H2 WAT X4324 66.284 30.597 42.591 0.00 0.00 +ATOM 15061 O WAT X4325 29.147 44.570 4.128 0.00 0.00 +ATOM 15062 H1 WAT X4325 29.502 44.521 5.015 0.00 0.00 +ATOM 15063 H2 WAT X4325 29.917 44.662 3.566 0.00 0.00 +ATOM 15064 O WAT X4326 21.537 21.553 19.948 0.00 0.00 +ATOM 15065 H1 WAT X4326 20.598 21.735 19.996 0.00 0.00 +ATOM 15066 H2 WAT X4326 21.701 20.948 20.671 0.00 0.00 +ATOM 15067 O WAT X4327 51.269 24.457 18.600 0.00 0.00 +ATOM 15068 H1 WAT X4327 50.610 24.212 17.950 0.00 0.00 +ATOM 15069 H2 WAT X4327 51.647 23.625 18.883 0.00 0.00 +ATOM 15070 O WAT X4328 27.245 16.223 -0.280 0.00 0.00 +ATOM 15071 H1 WAT X4328 27.854 16.271 0.457 0.00 0.00 +ATOM 15072 H2 WAT X4328 26.421 16.566 0.067 0.00 0.00 +ATOM 15073 O WAT X4329 27.326 20.568 22.480 0.00 0.00 +ATOM 15074 H1 WAT X4329 26.953 19.790 22.067 0.00 0.00 +ATOM 15075 H2 WAT X4329 27.052 21.293 21.918 0.00 0.00 +ATOM 15076 O WAT X4330 46.920 12.603 49.371 0.00 0.00 +ATOM 15077 H1 WAT X4330 47.580 13.271 49.556 0.00 0.00 +ATOM 15078 H2 WAT X4330 47.129 11.887 49.971 0.00 0.00 +ATOM 15079 O WAT X4331 25.865 5.196 19.435 0.00 0.00 +ATOM 15080 H1 WAT X4331 25.926 5.360 20.376 0.00 0.00 +ATOM 15081 H2 WAT X4331 26.208 5.993 19.030 0.00 0.00 +ATOM 15082 O WAT X4332 38.435 11.799 39.836 0.00 0.00 +ATOM 15083 H1 WAT X4332 39.058 12.488 39.605 0.00 0.00 +ATOM 15084 H2 WAT X4332 38.245 11.948 40.762 0.00 0.00 +ATOM 15085 O WAT X4333 26.450 58.232 31.987 0.00 0.00 +ATOM 15086 H1 WAT X4333 26.731 57.522 32.564 0.00 0.00 +ATOM 15087 H2 WAT X4333 26.810 58.001 31.130 0.00 0.00 +ATOM 15088 O WAT X4334 54.466 5.029 40.733 0.00 0.00 +ATOM 15089 H1 WAT X4334 54.249 4.510 39.959 0.00 0.00 +ATOM 15090 H2 WAT X4334 53.678 5.545 40.905 0.00 0.00 +ATOM 15091 O WAT X4335 48.697 37.709 9.996 0.00 0.00 +ATOM 15092 H1 WAT X4335 48.929 37.059 9.333 0.00 0.00 +ATOM 15093 H2 WAT X4335 49.179 37.437 10.777 0.00 0.00 +ATOM 15094 O WAT X4336 7.590 54.301 1.436 0.00 0.00 +ATOM 15095 H1 WAT X4336 6.766 54.350 1.921 0.00 0.00 +ATOM 15096 H2 WAT X4336 8.263 54.490 2.089 0.00 0.00 +ATOM 15097 O WAT X4337 7.009 28.672 33.970 0.00 0.00 +ATOM 15098 H1 WAT X4337 6.631 27.985 33.421 0.00 0.00 +ATOM 15099 H2 WAT X4337 7.697 29.059 33.429 0.00 0.00 +ATOM 15100 O WAT X4338 37.088 60.113 30.435 0.00 0.00 +ATOM 15101 H1 WAT X4338 36.436 60.611 29.942 0.00 0.00 +ATOM 15102 H2 WAT X4338 37.619 60.779 30.872 0.00 0.00 +ATOM 15103 O WAT X4339 35.774 18.052 50.208 0.00 0.00 +ATOM 15104 H1 WAT X4339 34.871 18.367 50.173 0.00 0.00 +ATOM 15105 H2 WAT X4339 36.262 18.767 50.616 0.00 0.00 +ATOM 15106 O WAT X4340 59.119 25.499 0.833 0.00 0.00 +ATOM 15107 H1 WAT X4340 59.875 24.992 0.536 0.00 0.00 +ATOM 15108 H2 WAT X4340 58.805 25.030 1.606 0.00 0.00 +ATOM 15109 O WAT X4341 5.105 14.223 12.675 0.00 0.00 +ATOM 15110 H1 WAT X4341 4.268 14.113 13.127 0.00 0.00 +ATOM 15111 H2 WAT X4341 4.982 15.001 12.130 0.00 0.00 +ATOM 15112 O WAT X4342 18.655 58.442 37.317 0.00 0.00 +ATOM 15113 H1 WAT X4342 19.393 58.480 37.925 0.00 0.00 +ATOM 15114 H2 WAT X4342 18.289 59.326 37.328 0.00 0.00 +ATOM 15115 O WAT X4343 2.756 18.716 3.731 0.00 0.00 +ATOM 15116 H1 WAT X4343 2.251 18.060 4.211 0.00 0.00 +ATOM 15117 H2 WAT X4343 2.251 18.871 2.933 0.00 0.00 +ATOM 15118 O WAT X4344 13.856 41.560 58.382 0.00 0.00 +ATOM 15119 H1 WAT X4344 14.761 41.855 58.278 0.00 0.00 +ATOM 15120 H2 WAT X4344 13.621 41.201 57.527 0.00 0.00 +ATOM 15121 O WAT X4345 33.101 38.487 37.371 0.00 0.00 +ATOM 15122 H1 WAT X4345 33.098 39.025 36.579 0.00 0.00 +ATOM 15123 H2 WAT X4345 33.252 39.109 38.083 0.00 0.00 +ATOM 15124 O WAT X4346 15.842 44.420 45.345 0.00 0.00 +ATOM 15125 H1 WAT X4346 16.237 45.022 45.976 0.00 0.00 +ATOM 15126 H2 WAT X4346 14.949 44.746 45.231 0.00 0.00 +ATOM 15127 O WAT X4347 73.983 40.599 57.935 0.00 0.00 +ATOM 15128 H1 WAT X4347 73.315 39.922 58.045 0.00 0.00 +ATOM 15129 H2 WAT X4347 73.712 41.301 58.526 0.00 0.00 +ATOM 15130 O WAT X4348 53.620 -0.207 41.855 0.00 0.00 +ATOM 15131 H1 WAT X4348 54.224 0.535 41.856 0.00 0.00 +ATOM 15132 H2 WAT X4348 53.181 -0.157 41.005 0.00 0.00 +ATOM 15133 O WAT X4349 72.495 9.663 22.087 0.00 0.00 +ATOM 15134 H1 WAT X4349 71.912 9.846 22.823 0.00 0.00 +ATOM 15135 H2 WAT X4349 73.375 9.697 22.463 0.00 0.00 +ATOM 15136 O WAT X4350 14.015 19.670 5.026 0.00 0.00 +ATOM 15137 H1 WAT X4350 13.365 20.167 4.528 0.00 0.00 +ATOM 15138 H2 WAT X4350 14.647 20.327 5.317 0.00 0.00 +ATOM 15139 O WAT X4351 56.407 41.564 10.664 0.00 0.00 +ATOM 15140 H1 WAT X4351 57.347 41.544 10.486 0.00 0.00 +ATOM 15141 H2 WAT X4351 56.329 41.286 11.577 0.00 0.00 +ATOM 15142 O WAT X4352 42.507 47.666 1.231 0.00 0.00 +ATOM 15143 H1 WAT X4352 42.714 47.143 2.006 0.00 0.00 +ATOM 15144 H2 WAT X4352 42.360 47.021 0.540 0.00 0.00 +ATOM 15145 O WAT X4353 41.980 39.909 20.110 0.00 0.00 +ATOM 15146 H1 WAT X4353 42.604 40.403 20.641 0.00 0.00 +ATOM 15147 H2 WAT X4353 41.394 40.574 19.747 0.00 0.00 +ATOM 15148 O WAT X4354 52.942 20.958 5.716 0.00 0.00 +ATOM 15149 H1 WAT X4354 52.610 20.106 6.000 0.00 0.00 +ATOM 15150 H2 WAT X4354 52.186 21.542 5.777 0.00 0.00 +ATOM 15151 O WAT X4355 59.194 7.393 41.720 0.00 0.00 +ATOM 15152 H1 WAT X4355 58.283 7.646 41.867 0.00 0.00 +ATOM 15153 H2 WAT X4355 59.325 7.504 40.778 0.00 0.00 +ATOM 15154 O WAT X4356 13.517 12.343 46.879 0.00 0.00 +ATOM 15155 H1 WAT X4356 13.705 13.166 47.331 0.00 0.00 +ATOM 15156 H2 WAT X4356 13.951 12.432 46.030 0.00 0.00 +ATOM 15157 O WAT X4357 70.924 41.049 4.369 0.00 0.00 +ATOM 15158 H1 WAT X4357 70.495 40.558 5.070 0.00 0.00 +ATOM 15159 H2 WAT X4357 71.422 40.390 3.885 0.00 0.00 +ATOM 15160 O WAT X4358 45.338 3.306 37.273 0.00 0.00 +ATOM 15161 H1 WAT X4358 45.608 2.482 37.679 0.00 0.00 +ATOM 15162 H2 WAT X4358 45.943 3.421 36.540 0.00 0.00 +ATOM 15163 O WAT X4359 59.416 28.173 24.006 0.00 0.00 +ATOM 15164 H1 WAT X4359 59.187 28.900 24.585 0.00 0.00 +ATOM 15165 H2 WAT X4359 59.943 28.575 23.315 0.00 0.00 +ATOM 15166 O WAT X4360 8.593 15.820 52.135 0.00 0.00 +ATOM 15167 H1 WAT X4360 8.478 16.574 52.713 0.00 0.00 +ATOM 15168 H2 WAT X4360 8.088 15.120 52.550 0.00 0.00 +ATOM 15169 O WAT X4361 45.974 42.103 47.591 0.00 0.00 +ATOM 15170 H1 WAT X4361 46.815 42.240 48.025 0.00 0.00 +ATOM 15171 H2 WAT X4361 45.731 41.205 47.818 0.00 0.00 +ATOM 15172 O WAT X4362 36.216 59.828 16.689 0.00 0.00 +ATOM 15173 H1 WAT X4362 35.636 60.471 16.280 0.00 0.00 +ATOM 15174 H2 WAT X4362 35.715 59.492 17.432 0.00 0.00 +ATOM 15175 O WAT X4363 37.930 41.997 4.472 0.00 0.00 +ATOM 15176 H1 WAT X4363 37.576 42.653 5.073 0.00 0.00 +ATOM 15177 H2 WAT X4363 37.661 42.297 3.604 0.00 0.00 +ATOM 15178 O WAT X4364 49.287 33.003 54.349 0.00 0.00 +ATOM 15179 H1 WAT X4364 49.775 33.338 53.597 0.00 0.00 +ATOM 15180 H2 WAT X4364 49.461 32.062 54.348 0.00 0.00 +ATOM 15181 O WAT X4365 8.505 59.973 35.394 0.00 0.00 +ATOM 15182 H1 WAT X4365 8.979 59.601 36.138 0.00 0.00 +ATOM 15183 H2 WAT X4365 8.785 60.888 35.366 0.00 0.00 +ATOM 15184 O WAT X4366 30.282 48.126 8.632 0.00 0.00 +ATOM 15185 H1 WAT X4366 29.516 48.411 9.130 0.00 0.00 +ATOM 15186 H2 WAT X4366 30.990 48.102 9.275 0.00 0.00 +ATOM 15187 O WAT X4367 30.744 15.922 22.123 0.00 0.00 +ATOM 15188 H1 WAT X4367 31.006 15.460 22.919 0.00 0.00 +ATOM 15189 H2 WAT X4367 30.437 15.233 21.535 0.00 0.00 +ATOM 15190 O WAT X4368 3.515 28.969 10.814 0.00 0.00 +ATOM 15191 H1 WAT X4368 2.713 28.687 11.254 0.00 0.00 +ATOM 15192 H2 WAT X4368 3.839 28.180 10.378 0.00 0.00 +ATOM 15193 O WAT X4369 15.804 36.027 14.693 0.00 0.00 +ATOM 15194 H1 WAT X4369 15.519 35.170 14.374 0.00 0.00 +ATOM 15195 H2 WAT X4369 16.364 35.830 15.443 0.00 0.00 +ATOM 15196 O WAT X4370 20.176 5.090 14.489 0.00 0.00 +ATOM 15197 H1 WAT X4370 20.205 6.003 14.775 0.00 0.00 +ATOM 15198 H2 WAT X4370 21.093 4.852 14.352 0.00 0.00 +ATOM 15199 O WAT X4371 52.549 52.648 19.037 0.00 0.00 +ATOM 15200 H1 WAT X4371 52.734 51.896 19.600 0.00 0.00 +ATOM 15201 H2 WAT X4371 53.382 53.116 18.981 0.00 0.00 +ATOM 15202 O WAT X4372 14.379 29.721 41.946 0.00 0.00 +ATOM 15203 H1 WAT X4372 14.972 30.449 41.760 0.00 0.00 +ATOM 15204 H2 WAT X4372 13.616 30.132 42.353 0.00 0.00 +ATOM 15205 O WAT X4373 10.208 34.425 6.952 0.00 0.00 +ATOM 15206 H1 WAT X4373 9.329 34.805 6.959 0.00 0.00 +ATOM 15207 H2 WAT X4373 10.132 33.635 7.487 0.00 0.00 +ATOM 15208 O WAT X4374 10.106 26.933 55.155 0.00 0.00 +ATOM 15209 H1 WAT X4374 10.764 26.568 54.563 0.00 0.00 +ATOM 15210 H2 WAT X4374 10.594 27.543 55.709 0.00 0.00 +ATOM 15211 O WAT X4375 63.187 53.215 38.331 0.00 0.00 +ATOM 15212 H1 WAT X4375 62.366 52.764 38.528 0.00 0.00 +ATOM 15213 H2 WAT X4375 62.916 54.051 37.951 0.00 0.00 +ATOM 15214 O WAT X4376 21.658 5.726 27.609 0.00 0.00 +ATOM 15215 H1 WAT X4376 20.980 5.785 28.283 0.00 0.00 +ATOM 15216 H2 WAT X4376 22.239 5.029 27.915 0.00 0.00 +ATOM 15217 O WAT X4377 49.098 43.523 20.041 0.00 0.00 +ATOM 15218 H1 WAT X4377 49.912 44.011 19.916 0.00 0.00 +ATOM 15219 H2 WAT X4377 48.783 43.798 20.902 0.00 0.00 +ATOM 15220 O WAT X4378 14.520 4.809 48.252 0.00 0.00 +ATOM 15221 H1 WAT X4378 14.863 4.786 47.359 0.00 0.00 +ATOM 15222 H2 WAT X4378 14.025 3.995 48.339 0.00 0.00 +ATOM 15223 O WAT X4379 48.880 19.602 58.235 0.00 0.00 +ATOM 15224 H1 WAT X4379 48.486 18.892 57.728 0.00 0.00 +ATOM 15225 H2 WAT X4379 48.271 19.747 58.958 0.00 0.00 +ATOM 15226 O WAT X4380 28.359 45.379 7.944 0.00 0.00 +ATOM 15227 H1 WAT X4380 28.864 45.906 7.324 0.00 0.00 +ATOM 15228 H2 WAT X4380 28.278 44.524 7.521 0.00 0.00 +ATOM 15229 O WAT X4381 53.963 1.414 18.967 0.00 0.00 +ATOM 15230 H1 WAT X4381 54.592 0.774 19.300 0.00 0.00 +ATOM 15231 H2 WAT X4381 53.698 1.067 18.115 0.00 0.00 +ATOM 15232 O WAT X4382 4.244 59.791 48.065 0.00 0.00 +ATOM 15233 H1 WAT X4382 3.498 59.844 47.468 0.00 0.00 +ATOM 15234 H2 WAT X4382 4.469 60.704 48.248 0.00 0.00 +ATOM 15235 O WAT X4383 74.590 53.399 2.577 0.00 0.00 +ATOM 15236 H1 WAT X4383 75.382 53.498 2.049 0.00 0.00 +ATOM 15237 H2 WAT X4383 74.658 52.519 2.948 0.00 0.00 +ATOM 15238 O WAT X4384 17.950 51.552 21.180 0.00 0.00 +ATOM 15239 H1 WAT X4384 17.753 50.749 20.697 0.00 0.00 +ATOM 15240 H2 WAT X4384 17.278 51.591 21.861 0.00 0.00 +ATOM 15241 O WAT X4385 5.216 57.138 2.663 0.00 0.00 +ATOM 15242 H1 WAT X4385 5.076 56.519 1.946 0.00 0.00 +ATOM 15243 H2 WAT X4385 6.111 57.453 2.537 0.00 0.00 +ATOM 15244 O WAT X4386 3.003 4.886 41.695 0.00 0.00 +ATOM 15245 H1 WAT X4386 3.455 4.596 40.903 0.00 0.00 +ATOM 15246 H2 WAT X4386 3.629 4.725 42.401 0.00 0.00 +ATOM 15247 O WAT X4387 0.443 39.030 38.998 0.00 0.00 +ATOM 15248 H1 WAT X4387 1.156 38.448 39.261 0.00 0.00 +ATOM 15249 H2 WAT X4387 0.552 39.807 39.547 0.00 0.00 +ATOM 15250 O WAT X4388 30.882 40.124 35.855 0.00 0.00 +ATOM 15251 H1 WAT X4388 30.414 40.583 36.552 0.00 0.00 +ATOM 15252 H2 WAT X4388 30.203 39.896 35.220 0.00 0.00 +ATOM 15253 O WAT X4389 24.445 6.722 30.762 0.00 0.00 +ATOM 15254 H1 WAT X4389 24.763 7.068 29.928 0.00 0.00 +ATOM 15255 H2 WAT X4389 24.056 7.478 31.202 0.00 0.00 +ATOM 15256 O WAT X4390 1.083 31.278 27.730 0.00 0.00 +ATOM 15257 H1 WAT X4390 1.025 30.644 28.445 0.00 0.00 +ATOM 15258 H2 WAT X4390 1.963 31.155 27.373 0.00 0.00 +ATOM 15259 O WAT X4391 36.781 52.259 29.347 0.00 0.00 +ATOM 15260 H1 WAT X4391 37.401 52.986 29.300 0.00 0.00 +ATOM 15261 H2 WAT X4391 37.087 51.640 28.683 0.00 0.00 +ATOM 15262 O WAT X4392 5.620 35.470 12.417 0.00 0.00 +ATOM 15263 H1 WAT X4392 5.833 34.577 12.144 0.00 0.00 +ATOM 15264 H2 WAT X4392 4.712 35.594 12.142 0.00 0.00 +ATOM 15265 O WAT X4393 17.648 5.165 6.288 0.00 0.00 +ATOM 15266 H1 WAT X4393 18.035 5.964 6.645 0.00 0.00 +ATOM 15267 H2 WAT X4393 16.832 5.055 6.776 0.00 0.00 +ATOM 15268 O WAT X4394 66.073 31.859 43.565 0.00 0.00 +ATOM 15269 H1 WAT X4394 66.356 31.724 44.469 0.00 0.00 +ATOM 15270 H2 WAT X4394 65.504 32.628 43.605 0.00 0.00 +ATOM 15271 O WAT X4395 39.555 1.301 21.655 0.00 0.00 +ATOM 15272 H1 WAT X4395 40.044 1.491 22.456 0.00 0.00 +ATOM 15273 H2 WAT X4395 39.224 0.412 21.782 0.00 0.00 +ATOM 15274 O WAT X4396 65.949 47.794 32.027 0.00 0.00 +ATOM 15275 H1 WAT X4396 66.549 47.258 32.545 0.00 0.00 +ATOM 15276 H2 WAT X4396 66.458 48.049 31.258 0.00 0.00 +ATOM 15277 O WAT X4397 24.185 7.355 47.790 0.00 0.00 +ATOM 15278 H1 WAT X4397 23.274 7.337 48.081 0.00 0.00 +ATOM 15279 H2 WAT X4397 24.541 6.510 48.063 0.00 0.00 +ATOM 15280 O WAT X4398 4.899 29.128 50.212 0.00 0.00 +ATOM 15281 H1 WAT X4398 4.714 28.461 50.873 0.00 0.00 +ATOM 15282 H2 WAT X4398 5.140 28.631 49.430 0.00 0.00 +ATOM 15283 O WAT X4399 22.947 16.212 43.192 0.00 0.00 +ATOM 15284 H1 WAT X4399 23.246 15.922 44.054 0.00 0.00 +ATOM 15285 H2 WAT X4399 23.160 17.145 43.167 0.00 0.00 +ATOM 15286 O WAT X4400 65.118 58.770 32.432 0.00 0.00 +ATOM 15287 H1 WAT X4400 65.153 58.238 33.228 0.00 0.00 +ATOM 15288 H2 WAT X4400 65.533 58.225 31.763 0.00 0.00 +ATOM 15289 O WAT X4401 34.352 22.650 55.286 0.00 0.00 +ATOM 15290 H1 WAT X4401 34.271 22.248 54.421 0.00 0.00 +ATOM 15291 H2 WAT X4401 33.460 22.911 55.513 0.00 0.00 +ATOM 15292 O WAT X4402 68.799 60.780 29.645 0.00 0.00 +ATOM 15293 H1 WAT X4402 68.944 59.948 30.095 0.00 0.00 +ATOM 15294 H2 WAT X4402 69.434 61.379 30.038 0.00 0.00 +ATOM 15295 O WAT X4403 65.236 28.968 9.528 0.00 0.00 +ATOM 15296 H1 WAT X4403 65.334 29.667 8.882 0.00 0.00 +ATOM 15297 H2 WAT X4403 66.111 28.864 9.903 0.00 0.00 +ATOM 15298 O WAT X4404 73.023 59.167 15.647 0.00 0.00 +ATOM 15299 H1 WAT X4404 72.290 58.555 15.712 0.00 0.00 +ATOM 15300 H2 WAT X4404 73.799 58.608 15.607 0.00 0.00 +ATOM 15301 O WAT X4405 38.624 5.968 22.552 0.00 0.00 +ATOM 15302 H1 WAT X4405 39.235 6.656 22.816 0.00 0.00 +ATOM 15303 H2 WAT X4405 37.767 6.394 22.557 0.00 0.00 +ATOM 15304 O WAT X4406 31.973 59.173 10.652 0.00 0.00 +ATOM 15305 H1 WAT X4406 32.306 59.705 11.374 0.00 0.00 +ATOM 15306 H2 WAT X4406 32.757 58.795 10.252 0.00 0.00 +ATOM 15307 O WAT X4407 46.569 0.263 14.810 0.00 0.00 +ATOM 15308 H1 WAT X4407 46.440 0.967 15.445 0.00 0.00 +ATOM 15309 H2 WAT X4407 47.487 0.011 14.914 0.00 0.00 +ATOM 15310 O WAT X4408 8.622 39.626 17.283 0.00 0.00 +ATOM 15311 H1 WAT X4408 8.025 40.367 17.388 0.00 0.00 +ATOM 15312 H2 WAT X4408 8.106 38.863 17.546 0.00 0.00 +ATOM 15313 O WAT X4409 69.547 33.084 45.119 0.00 0.00 +ATOM 15314 H1 WAT X4409 69.421 32.606 45.939 0.00 0.00 +ATOM 15315 H2 WAT X4409 69.238 33.970 45.309 0.00 0.00 +ATOM 15316 O WAT X4410 20.859 39.827 5.011 0.00 0.00 +ATOM 15317 H1 WAT X4410 20.539 40.238 4.208 0.00 0.00 +ATOM 15318 H2 WAT X4410 20.238 40.102 5.685 0.00 0.00 +ATOM 15319 O WAT X4411 61.684 53.189 0.388 0.00 0.00 +ATOM 15320 H1 WAT X4411 61.601 53.818 1.106 0.00 0.00 +ATOM 15321 H2 WAT X4411 62.471 52.687 0.600 0.00 0.00 +ATOM 15322 O WAT X4412 42.484 42.283 51.447 0.00 0.00 +ATOM 15323 H1 WAT X4412 42.520 42.126 52.391 0.00 0.00 +ATOM 15324 H2 WAT X4412 41.984 41.544 51.101 0.00 0.00 +ATOM 15325 O WAT X4413 33.473 41.606 57.315 0.00 0.00 +ATOM 15326 H1 WAT X4413 32.557 41.390 57.138 0.00 0.00 +ATOM 15327 H2 WAT X4413 33.753 40.952 57.955 0.00 0.00 +ATOM 15328 O WAT X4414 52.338 51.246 32.113 0.00 0.00 +ATOM 15329 H1 WAT X4414 52.958 51.648 31.505 0.00 0.00 +ATOM 15330 H2 WAT X4414 51.665 50.861 31.551 0.00 0.00 +ATOM 15331 O WAT X4415 44.685 61.253 27.366 0.00 0.00 +ATOM 15332 H1 WAT X4415 43.729 61.199 27.363 0.00 0.00 +ATOM 15333 H2 WAT X4415 44.886 61.971 26.765 0.00 0.00 +ATOM 15334 O WAT X4416 21.870 28.279 9.927 0.00 0.00 +ATOM 15335 H1 WAT X4416 21.918 28.729 10.770 0.00 0.00 +ATOM 15336 H2 WAT X4416 21.858 27.348 10.152 0.00 0.00 +ATOM 15337 O WAT X4417 51.959 10.832 0.820 0.00 0.00 +ATOM 15338 H1 WAT X4417 51.102 11.091 1.157 0.00 0.00 +ATOM 15339 H2 WAT X4417 52.248 11.582 0.300 0.00 0.00 +ATOM 15340 O WAT X4418 25.963 30.053 51.189 0.00 0.00 +ATOM 15341 H1 WAT X4418 25.036 29.903 51.374 0.00 0.00 +ATOM 15342 H2 WAT X4418 26.356 29.181 51.209 0.00 0.00 +ATOM 15343 O WAT X4419 46.508 52.854 6.539 0.00 0.00 +ATOM 15344 H1 WAT X4419 47.460 52.784 6.610 0.00 0.00 +ATOM 15345 H2 WAT X4419 46.193 51.959 6.658 0.00 0.00 +ATOM 15346 O WAT X4420 21.840 5.201 7.653 0.00 0.00 +ATOM 15347 H1 WAT X4420 21.939 5.517 6.755 0.00 0.00 +ATOM 15348 H2 WAT X4420 21.659 4.266 7.559 0.00 0.00 +ATOM 15349 O WAT X4421 15.827 20.268 40.565 0.00 0.00 +ATOM 15350 H1 WAT X4421 16.739 20.398 40.305 0.00 0.00 +ATOM 15351 H2 WAT X4421 15.821 19.415 40.998 0.00 0.00 +ATOM 15352 O WAT X4422 40.072 28.595 46.312 0.00 0.00 +ATOM 15353 H1 WAT X4422 39.986 28.569 45.359 0.00 0.00 +ATOM 15354 H2 WAT X4422 40.419 29.468 46.497 0.00 0.00 +ATOM 15355 O WAT X4423 33.744 17.594 44.655 0.00 0.00 +ATOM 15356 H1 WAT X4423 33.257 17.427 45.462 0.00 0.00 +ATOM 15357 H2 WAT X4423 33.511 18.491 44.416 0.00 0.00 +ATOM 15358 O WAT X4424 40.601 4.566 12.250 0.00 0.00 +ATOM 15359 H1 WAT X4424 41.291 3.926 12.074 0.00 0.00 +ATOM 15360 H2 WAT X4424 40.810 4.911 13.118 0.00 0.00 +ATOM 15361 O WAT X4425 0.633 55.863 40.469 0.00 0.00 +ATOM 15362 H1 WAT X4425 0.558 56.738 40.849 0.00 0.00 +ATOM 15363 H2 WAT X4425 -0.171 55.417 40.733 0.00 0.00 +ATOM 15364 O WAT X4426 73.731 21.467 1.242 0.00 0.00 +ATOM 15365 H1 WAT X4426 73.515 21.667 2.153 0.00 0.00 +ATOM 15366 H2 WAT X4426 73.753 20.511 1.206 0.00 0.00 +ATOM 15367 O WAT X4427 8.127 41.604 33.700 0.00 0.00 +ATOM 15368 H1 WAT X4427 7.556 41.703 32.938 0.00 0.00 +ATOM 15369 H2 WAT X4427 8.454 40.706 33.640 0.00 0.00 +ATOM 15370 O WAT X4428 12.125 40.656 25.635 0.00 0.00 +ATOM 15371 H1 WAT X4428 11.996 40.013 24.938 0.00 0.00 +ATOM 15372 H2 WAT X4428 11.436 41.306 25.491 0.00 0.00 +ATOM 15373 O WAT X4429 8.894 24.313 40.443 0.00 0.00 +ATOM 15374 H1 WAT X4429 8.588 25.218 40.498 0.00 0.00 +ATOM 15375 H2 WAT X4429 8.517 23.982 39.628 0.00 0.00 +ATOM 15376 O WAT X4430 38.507 58.394 52.532 0.00 0.00 +ATOM 15377 H1 WAT X4430 38.890 57.604 52.914 0.00 0.00 +ATOM 15378 H2 WAT X4430 37.971 58.764 53.233 0.00 0.00 +ATOM 15379 O WAT X4431 63.317 49.014 22.160 0.00 0.00 +ATOM 15380 H1 WAT X4431 63.110 48.427 22.887 0.00 0.00 +ATOM 15381 H2 WAT X4431 63.886 49.680 22.544 0.00 0.00 +ATOM 15382 O WAT X4432 23.322 46.697 6.045 0.00 0.00 +ATOM 15383 H1 WAT X4432 22.655 46.149 6.458 0.00 0.00 +ATOM 15384 H2 WAT X4432 23.816 47.066 6.777 0.00 0.00 +ATOM 15385 O WAT X4433 38.812 20.603 24.527 0.00 0.00 +ATOM 15386 H1 WAT X4433 38.543 19.685 24.495 0.00 0.00 +ATOM 15387 H2 WAT X4433 38.148 21.028 25.070 0.00 0.00 +ATOM 15388 O WAT X4434 9.708 39.839 31.620 0.00 0.00 +ATOM 15389 H1 WAT X4434 9.671 38.899 31.798 0.00 0.00 +ATOM 15390 H2 WAT X4434 10.551 40.117 31.978 0.00 0.00 +ATOM 15391 O WAT X4435 35.367 38.654 51.388 0.00 0.00 +ATOM 15392 H1 WAT X4435 35.178 39.076 52.226 0.00 0.00 +ATOM 15393 H2 WAT X4435 34.914 37.812 51.437 0.00 0.00 +ATOM 15394 O WAT X4436 62.425 31.975 6.924 0.00 0.00 +ATOM 15395 H1 WAT X4436 61.879 31.306 7.336 0.00 0.00 +ATOM 15396 H2 WAT X4436 63.293 31.845 7.306 0.00 0.00 +ATOM 15397 O WAT X4437 30.509 13.961 42.248 0.00 0.00 +ATOM 15398 H1 WAT X4437 29.804 13.494 41.800 0.00 0.00 +ATOM 15399 H2 WAT X4437 30.062 14.503 42.898 0.00 0.00 +ATOM 15400 O WAT X4438 34.238 31.109 40.232 0.00 0.00 +ATOM 15401 H1 WAT X4438 33.506 31.371 40.790 0.00 0.00 +ATOM 15402 H2 WAT X4438 34.813 31.874 40.216 0.00 0.00 +ATOM 15403 O WAT X4439 67.118 6.133 26.201 0.00 0.00 +ATOM 15404 H1 WAT X4439 66.673 6.619 25.507 0.00 0.00 +ATOM 15405 H2 WAT X4439 66.986 6.664 26.987 0.00 0.00 +ATOM 15406 O WAT X4440 36.651 28.154 54.601 0.00 0.00 +ATOM 15407 H1 WAT X4440 37.511 27.756 54.730 0.00 0.00 +ATOM 15408 H2 WAT X4440 36.183 27.986 55.419 0.00 0.00 +ATOM 15409 O WAT X4441 31.779 53.490 1.118 0.00 0.00 +ATOM 15410 H1 WAT X4441 30.939 53.048 1.238 0.00 0.00 +ATOM 15411 H2 WAT X4441 32.049 53.257 0.230 0.00 0.00 +ATOM 15412 O WAT X4442 71.663 49.985 28.062 0.00 0.00 +ATOM 15413 H1 WAT X4442 72.053 50.776 28.434 0.00 0.00 +ATOM 15414 H2 WAT X4442 71.496 50.208 27.147 0.00 0.00 +ATOM 15415 O WAT X4443 27.901 40.434 50.432 0.00 0.00 +ATOM 15416 H1 WAT X4443 27.421 40.642 49.631 0.00 0.00 +ATOM 15417 H2 WAT X4443 27.220 40.248 51.078 0.00 0.00 +ATOM 15418 O WAT X4444 46.045 10.288 31.269 0.00 0.00 +ATOM 15419 H1 WAT X4444 45.408 9.633 30.984 0.00 0.00 +ATOM 15420 H2 WAT X4444 46.747 9.779 31.675 0.00 0.00 +ATOM 15421 O WAT X4445 37.146 3.648 8.810 0.00 0.00 +ATOM 15422 H1 WAT X4445 37.420 4.206 9.538 0.00 0.00 +ATOM 15423 H2 WAT X4445 36.254 3.935 8.612 0.00 0.00 +ATOM 15424 O WAT X4446 66.397 44.324 3.551 0.00 0.00 +ATOM 15425 H1 WAT X4446 65.458 44.361 3.367 0.00 0.00 +ATOM 15426 H2 WAT X4446 66.544 43.434 3.870 0.00 0.00 +ATOM 15427 O WAT X4447 12.257 34.640 43.807 0.00 0.00 +ATOM 15428 H1 WAT X4447 12.924 34.320 44.413 0.00 0.00 +ATOM 15429 H2 WAT X4447 12.366 34.102 43.023 0.00 0.00 +ATOM 15430 O WAT X4448 22.835 31.153 49.260 0.00 0.00 +ATOM 15431 H1 WAT X4448 22.609 31.961 48.800 0.00 0.00 +ATOM 15432 H2 WAT X4448 22.037 30.626 49.226 0.00 0.00 +ATOM 15433 O WAT X4449 11.656 57.063 54.313 0.00 0.00 +ATOM 15434 H1 WAT X4449 10.840 56.939 53.829 0.00 0.00 +ATOM 15435 H2 WAT X4449 11.682 56.334 54.932 0.00 0.00 +ATOM 15436 O WAT X4450 23.920 54.631 14.265 0.00 0.00 +ATOM 15437 H1 WAT X4450 24.455 55.408 14.426 0.00 0.00 +ATOM 15438 H2 WAT X4450 23.084 54.824 14.687 0.00 0.00 +ATOM 15439 O WAT X4451 53.908 4.728 7.705 0.00 0.00 +ATOM 15440 H1 WAT X4451 53.709 4.842 6.776 0.00 0.00 +ATOM 15441 H2 WAT X4451 53.062 4.815 8.144 0.00 0.00 +ATOM 15442 O WAT X4452 50.865 17.189 48.347 0.00 0.00 +ATOM 15443 H1 WAT X4452 51.677 16.692 48.444 0.00 0.00 +ATOM 15444 H2 WAT X4452 51.066 18.049 48.716 0.00 0.00 +ATOM 15445 O WAT X4453 48.638 22.711 1.896 0.00 0.00 +ATOM 15446 H1 WAT X4453 47.961 22.890 1.244 0.00 0.00 +ATOM 15447 H2 WAT X4453 48.419 23.283 2.632 0.00 0.00 +ATOM 15448 O WAT X4454 48.988 23.500 52.594 0.00 0.00 +ATOM 15449 H1 WAT X4454 48.105 23.180 52.411 0.00 0.00 +ATOM 15450 H2 WAT X4454 49.071 24.292 52.062 0.00 0.00 +ATOM 15451 O WAT X4455 29.132 14.016 20.551 0.00 0.00 +ATOM 15452 H1 WAT X4455 29.591 13.369 20.015 0.00 0.00 +ATOM 15453 H2 WAT X4455 28.459 13.512 21.009 0.00 0.00 +ATOM 15454 O WAT X4456 33.171 30.834 54.244 0.00 0.00 +ATOM 15455 H1 WAT X4456 33.492 29.956 54.448 0.00 0.00 +ATOM 15456 H2 WAT X4456 33.145 31.282 55.090 0.00 0.00 +ATOM 15457 O WAT X4457 38.252 5.573 39.771 0.00 0.00 +ATOM 15458 H1 WAT X4457 38.649 6.321 40.217 0.00 0.00 +ATOM 15459 H2 WAT X4457 37.378 5.876 39.525 0.00 0.00 +ATOM 15460 O WAT X4458 75.694 61.780 50.026 0.00 0.00 +ATOM 15461 H1 WAT X4458 76.115 61.426 50.809 0.00 0.00 +ATOM 15462 H2 WAT X4458 76.133 62.617 49.875 0.00 0.00 +ATOM 15463 O WAT X4459 20.133 6.555 10.166 0.00 0.00 +ATOM 15464 H1 WAT X4459 19.584 6.225 10.877 0.00 0.00 +ATOM 15465 H2 WAT X4459 21.017 6.262 10.390 0.00 0.00 +ATOM 15466 O WAT X4460 71.994 31.953 14.706 0.00 0.00 +ATOM 15467 H1 WAT X4460 71.127 32.141 15.067 0.00 0.00 +ATOM 15468 H2 WAT X4460 71.849 31.225 14.102 0.00 0.00 +ATOM 15469 O WAT X4461 25.558 53.065 31.660 0.00 0.00 +ATOM 15470 H1 WAT X4461 25.380 53.559 32.460 0.00 0.00 +ATOM 15471 H2 WAT X4461 25.891 53.718 31.044 0.00 0.00 +ATOM 15472 O WAT X4462 40.699 54.287 18.166 0.00 0.00 +ATOM 15473 H1 WAT X4462 40.772 55.238 18.246 0.00 0.00 +ATOM 15474 H2 WAT X4462 41.270 53.944 18.853 0.00 0.00 +ATOM 15475 O WAT X4463 30.376 5.415 33.240 0.00 0.00 +ATOM 15476 H1 WAT X4463 30.658 4.853 33.960 0.00 0.00 +ATOM 15477 H2 WAT X4463 30.403 6.301 33.602 0.00 0.00 +ATOM 15478 O WAT X4464 60.287 26.095 44.993 0.00 0.00 +ATOM 15479 H1 WAT X4464 60.226 27.018 45.238 0.00 0.00 +ATOM 15480 H2 WAT X4464 59.466 25.912 44.538 0.00 0.00 +ATOM 15481 O WAT X4465 37.685 38.130 12.604 0.00 0.00 +ATOM 15482 H1 WAT X4465 37.121 37.983 11.845 0.00 0.00 +ATOM 15483 H2 WAT X4465 37.609 39.068 12.781 0.00 0.00 +ATOM 15484 O WAT X4466 22.743 15.272 57.292 0.00 0.00 +ATOM 15485 H1 WAT X4466 22.264 15.993 57.699 0.00 0.00 +ATOM 15486 H2 WAT X4466 23.033 14.732 58.028 0.00 0.00 +ATOM 15487 O WAT X4467 10.809 50.152 8.431 0.00 0.00 +ATOM 15488 H1 WAT X4467 9.903 50.065 8.137 0.00 0.00 +ATOM 15489 H2 WAT X4467 11.084 49.257 8.629 0.00 0.00 +ATOM 15490 O WAT X4468 40.823 9.823 12.983 0.00 0.00 +ATOM 15491 H1 WAT X4468 40.757 10.356 13.775 0.00 0.00 +ATOM 15492 H2 WAT X4468 41.141 10.428 12.313 0.00 0.00 +ATOM 15493 O WAT X4469 53.380 26.816 7.212 0.00 0.00 +ATOM 15494 H1 WAT X4469 52.864 27.470 6.740 0.00 0.00 +ATOM 15495 H2 WAT X4469 54.272 26.933 6.885 0.00 0.00 +ATOM 15496 O WAT X4470 46.936 27.750 47.775 0.00 0.00 +ATOM 15497 H1 WAT X4470 46.257 28.260 48.217 0.00 0.00 +ATOM 15498 H2 WAT X4470 46.871 28.011 46.856 0.00 0.00 +ATOM 15499 O WAT X4471 58.942 57.855 53.264 0.00 0.00 +ATOM 15500 H1 WAT X4471 59.183 58.087 52.368 0.00 0.00 +ATOM 15501 H2 WAT X4471 58.277 57.173 53.165 0.00 0.00 +ATOM 15502 O WAT X4472 58.921 4.891 8.681 0.00 0.00 +ATOM 15503 H1 WAT X4472 58.047 5.009 9.053 0.00 0.00 +ATOM 15504 H2 WAT X4472 59.162 5.759 8.356 0.00 0.00 +ATOM 15505 O WAT X4473 69.825 9.913 48.581 0.00 0.00 +ATOM 15506 H1 WAT X4473 69.562 10.142 49.472 0.00 0.00 +ATOM 15507 H2 WAT X4473 69.838 10.748 48.112 0.00 0.00 +ATOM 15508 O WAT X4474 11.302 26.689 29.070 0.00 0.00 +ATOM 15509 H1 WAT X4474 10.673 26.008 29.310 0.00 0.00 +ATOM 15510 H2 WAT X4474 11.548 27.092 29.903 0.00 0.00 +ATOM 15511 O WAT X4475 0.538 51.892 3.693 0.00 0.00 +ATOM 15512 H1 WAT X4475 1.051 51.160 4.035 0.00 0.00 +ATOM 15513 H2 WAT X4475 -0.373 51.626 3.820 0.00 0.00 +ATOM 15514 O WAT X4476 2.004 11.803 13.769 0.00 0.00 +ATOM 15515 H1 WAT X4476 1.416 11.053 13.859 0.00 0.00 +ATOM 15516 H2 WAT X4476 2.658 11.680 14.457 0.00 0.00 +ATOM 15517 O WAT X4477 1.503 18.592 10.259 0.00 0.00 +ATOM 15518 H1 WAT X4477 1.668 18.365 11.174 0.00 0.00 +ATOM 15519 H2 WAT X4477 0.635 18.995 10.264 0.00 0.00 +ATOM 15520 O WAT X4478 58.119 30.508 20.531 0.00 0.00 +ATOM 15521 H1 WAT X4478 58.581 31.344 20.470 0.00 0.00 +ATOM 15522 H2 WAT X4478 58.572 30.034 21.229 0.00 0.00 +ATOM 15523 O WAT X4479 74.572 0.736 23.298 0.00 0.00 +ATOM 15524 H1 WAT X4479 75.335 1.137 23.714 0.00 0.00 +ATOM 15525 H2 WAT X4479 74.394 1.290 22.538 0.00 0.00 +ATOM 15526 O WAT X4480 13.418 40.609 32.286 0.00 0.00 +ATOM 15527 H1 WAT X4480 12.875 40.316 33.017 0.00 0.00 +ATOM 15528 H2 WAT X4480 14.205 40.965 32.700 0.00 0.00 +ATOM 15529 O WAT X4481 14.369 33.548 16.602 0.00 0.00 +ATOM 15530 H1 WAT X4481 14.532 32.794 17.169 0.00 0.00 +ATOM 15531 H2 WAT X4481 15.196 34.029 16.599 0.00 0.00 +ATOM 15532 O WAT X4482 52.041 44.835 51.680 0.00 0.00 +ATOM 15533 H1 WAT X4482 52.740 44.493 52.237 0.00 0.00 +ATOM 15534 H2 WAT X4482 52.322 45.723 51.460 0.00 0.00 +ATOM 15535 O WAT X4483 51.088 15.119 9.904 0.00 0.00 +ATOM 15536 H1 WAT X4483 51.939 14.708 10.056 0.00 0.00 +ATOM 15537 H2 WAT X4483 50.934 15.010 8.966 0.00 0.00 +ATOM 15538 O WAT X4484 23.213 57.015 34.445 0.00 0.00 +ATOM 15539 H1 WAT X4484 23.105 56.227 34.976 0.00 0.00 +ATOM 15540 H2 WAT X4484 23.764 56.737 33.713 0.00 0.00 +ATOM 15541 O WAT X4485 61.756 37.428 36.015 0.00 0.00 +ATOM 15542 H1 WAT X4485 61.625 36.542 35.678 0.00 0.00 +ATOM 15543 H2 WAT X4485 61.105 37.517 36.712 0.00 0.00 +ATOM 15544 O WAT X4486 65.728 22.055 53.917 0.00 0.00 +ATOM 15545 H1 WAT X4486 66.128 22.756 54.431 0.00 0.00 +ATOM 15546 H2 WAT X4486 65.686 21.311 54.517 0.00 0.00 +ATOM 15547 O WAT X4487 11.476 46.457 0.389 0.00 0.00 +ATOM 15548 H1 WAT X4487 12.205 47.070 0.480 0.00 0.00 +ATOM 15549 H2 WAT X4487 11.884 45.592 0.429 0.00 0.00 +ATOM 15550 O WAT X4488 75.969 14.423 42.442 0.00 0.00 +ATOM 15551 H1 WAT X4488 75.368 15.080 42.092 0.00 0.00 +ATOM 15552 H2 WAT X4488 76.067 13.786 41.734 0.00 0.00 +ATOM 15553 O WAT X4489 42.153 38.856 42.539 0.00 0.00 +ATOM 15554 H1 WAT X4489 42.544 39.389 43.231 0.00 0.00 +ATOM 15555 H2 WAT X4489 41.334 38.535 42.917 0.00 0.00 +ATOM 15556 O WAT X4490 57.193 19.068 23.398 0.00 0.00 +ATOM 15557 H1 WAT X4490 57.937 18.732 23.899 0.00 0.00 +ATOM 15558 H2 WAT X4490 56.837 18.299 22.953 0.00 0.00 +ATOM 15559 O WAT X4491 61.813 19.461 4.725 0.00 0.00 +ATOM 15560 H1 WAT X4491 61.024 19.793 5.152 0.00 0.00 +ATOM 15561 H2 WAT X4491 62.526 19.972 5.109 0.00 0.00 +ATOM 15562 O WAT X4492 33.924 36.310 50.959 0.00 0.00 +ATOM 15563 H1 WAT X4492 33.231 36.711 51.483 0.00 0.00 +ATOM 15564 H2 WAT X4492 33.780 35.368 51.053 0.00 0.00 +ATOM 15565 O WAT X4493 56.891 32.406 4.440 0.00 0.00 +ATOM 15566 H1 WAT X4493 57.316 32.706 3.637 0.00 0.00 +ATOM 15567 H2 WAT X4493 57.592 31.991 4.942 0.00 0.00 +ATOM 15568 O WAT X4494 32.611 45.380 36.600 0.00 0.00 +ATOM 15569 H1 WAT X4494 32.139 44.986 35.866 0.00 0.00 +ATOM 15570 H2 WAT X4494 32.363 44.848 37.357 0.00 0.00 +ATOM 15571 O WAT X4495 70.189 13.532 18.866 0.00 0.00 +ATOM 15572 H1 WAT X4495 69.303 13.323 19.163 0.00 0.00 +ATOM 15573 H2 WAT X4495 70.737 12.845 19.247 0.00 0.00 +ATOM 15574 O WAT X4496 61.655 7.473 25.945 0.00 0.00 +ATOM 15575 H1 WAT X4496 61.141 7.376 26.746 0.00 0.00 +ATOM 15576 H2 WAT X4496 61.696 8.418 25.799 0.00 0.00 +ATOM 15577 O WAT X4497 44.884 47.838 39.779 0.00 0.00 +ATOM 15578 H1 WAT X4497 45.653 48.408 39.746 0.00 0.00 +ATOM 15579 H2 WAT X4497 44.172 48.377 39.436 0.00 0.00 +ATOM 15580 O WAT X4498 49.342 56.775 26.633 0.00 0.00 +ATOM 15581 H1 WAT X4498 48.978 57.474 26.090 0.00 0.00 +ATOM 15582 H2 WAT X4498 48.833 55.999 26.397 0.00 0.00 +ATOM 15583 O WAT X4499 21.300 6.935 43.220 0.00 0.00 +ATOM 15584 H1 WAT X4499 21.509 7.679 42.656 0.00 0.00 +ATOM 15585 H2 WAT X4499 22.123 6.731 43.664 0.00 0.00 +ATOM 15586 O WAT X4500 33.543 11.115 55.338 0.00 0.00 +ATOM 15587 H1 WAT X4500 32.692 11.198 55.769 0.00 0.00 +ATOM 15588 H2 WAT X4500 34.177 11.374 56.007 0.00 0.00 +ATOM 15589 O WAT X4501 57.941 18.140 28.238 0.00 0.00 +ATOM 15590 H1 WAT X4501 57.288 17.815 28.857 0.00 0.00 +ATOM 15591 H2 WAT X4501 58.615 17.460 28.221 0.00 0.00 +ATOM 15592 O WAT X4502 26.480 46.470 9.381 0.00 0.00 +ATOM 15593 H1 WAT X4502 27.276 46.328 8.867 0.00 0.00 +ATOM 15594 H2 WAT X4502 25.863 45.816 9.053 0.00 0.00 +ATOM 15595 O WAT X4503 69.405 54.097 23.377 0.00 0.00 +ATOM 15596 H1 WAT X4503 69.886 54.796 23.818 0.00 0.00 +ATOM 15597 H2 WAT X4503 68.651 54.536 22.982 0.00 0.00 +ATOM 15598 O WAT X4504 19.920 49.014 11.110 0.00 0.00 +ATOM 15599 H1 WAT X4504 20.096 48.660 11.981 0.00 0.00 +ATOM 15600 H2 WAT X4504 20.065 49.956 11.201 0.00 0.00 +ATOM 15601 O WAT X4505 78.261 7.398 51.344 0.00 0.00 +ATOM 15602 H1 WAT X4505 77.389 7.259 50.975 0.00 0.00 +ATOM 15603 H2 WAT X4505 78.100 7.825 52.185 0.00 0.00 +ATOM 15604 O WAT X4506 32.290 45.434 11.619 0.00 0.00 +ATOM 15605 H1 WAT X4506 32.223 45.140 10.711 0.00 0.00 +ATOM 15606 H2 WAT X4506 32.147 46.380 11.576 0.00 0.00 +ATOM 15607 O WAT X4507 61.126 16.663 51.737 0.00 0.00 +ATOM 15608 H1 WAT X4507 60.707 17.125 51.011 0.00 0.00 +ATOM 15609 H2 WAT X4507 60.434 16.565 52.390 0.00 0.00 +ATOM 15610 O WAT X4508 47.139 15.089 55.732 0.00 0.00 +ATOM 15611 H1 WAT X4508 48.030 15.439 55.717 0.00 0.00 +ATOM 15612 H2 WAT X4508 46.944 14.893 54.816 0.00 0.00 +ATOM 15613 O WAT X4509 64.643 56.525 51.753 0.00 0.00 +ATOM 15614 H1 WAT X4509 63.777 56.126 51.669 0.00 0.00 +ATOM 15615 H2 WAT X4509 64.571 57.357 51.284 0.00 0.00 +ATOM 15616 O WAT X4510 29.267 13.061 28.788 0.00 0.00 +ATOM 15617 H1 WAT X4510 29.932 13.317 29.427 0.00 0.00 +ATOM 15618 H2 WAT X4510 28.753 12.387 29.234 0.00 0.00 +ATOM 15619 O WAT X4511 49.420 31.552 11.516 0.00 0.00 +ATOM 15620 H1 WAT X4511 50.017 30.804 11.498 0.00 0.00 +ATOM 15621 H2 WAT X4511 49.460 31.911 10.629 0.00 0.00 +ATOM 15622 O WAT X4512 27.413 44.300 44.867 0.00 0.00 +ATOM 15623 H1 WAT X4512 27.791 44.875 45.533 0.00 0.00 +ATOM 15624 H2 WAT X4512 26.757 44.842 44.428 0.00 0.00 +ATOM 15625 O WAT X4513 54.780 26.087 3.490 0.00 0.00 +ATOM 15626 H1 WAT X4513 53.918 26.357 3.173 0.00 0.00 +ATOM 15627 H2 WAT X4513 55.124 25.523 2.797 0.00 0.00 +ATOM 15628 O WAT X4514 29.664 33.278 52.534 0.00 0.00 +ATOM 15629 H1 WAT X4514 28.733 33.269 52.755 0.00 0.00 +ATOM 15630 H2 WAT X4514 29.940 32.365 52.621 0.00 0.00 +ATOM 15631 O WAT X4515 1.724 52.004 26.925 0.00 0.00 +ATOM 15632 H1 WAT X4515 1.526 51.417 26.195 0.00 0.00 +ATOM 15633 H2 WAT X4515 1.394 52.857 26.643 0.00 0.00 +ATOM 15634 O WAT X4516 62.391 32.931 4.547 0.00 0.00 +ATOM 15635 H1 WAT X4516 62.305 32.740 5.481 0.00 0.00 +ATOM 15636 H2 WAT X4516 61.922 32.218 4.113 0.00 0.00 +ATOM 15637 O WAT X4517 20.543 57.761 33.823 0.00 0.00 +ATOM 15638 H1 WAT X4517 20.667 57.956 32.895 0.00 0.00 +ATOM 15639 H2 WAT X4517 21.350 57.318 34.085 0.00 0.00 +ATOM 15640 O WAT X4518 27.460 32.366 44.196 0.00 0.00 +ATOM 15641 H1 WAT X4518 28.045 32.230 44.942 0.00 0.00 +ATOM 15642 H2 WAT X4518 26.740 31.752 44.341 0.00 0.00 +ATOM 15643 O WAT X4519 32.170 59.788 48.099 0.00 0.00 +ATOM 15644 H1 WAT X4519 32.350 58.887 48.365 0.00 0.00 +ATOM 15645 H2 WAT X4519 32.922 60.287 48.418 0.00 0.00 +ATOM 15646 O WAT X4520 29.326 26.604 54.478 0.00 0.00 +ATOM 15647 H1 WAT X4520 28.453 26.804 54.141 0.00 0.00 +ATOM 15648 H2 WAT X4520 29.274 26.802 55.412 0.00 0.00 +ATOM 15649 O WAT X4521 64.601 4.088 24.781 0.00 0.00 +ATOM 15650 H1 WAT X4521 64.241 3.411 25.353 0.00 0.00 +ATOM 15651 H2 WAT X4521 64.556 3.708 23.903 0.00 0.00 +ATOM 15652 O WAT X4522 76.347 22.991 2.174 0.00 0.00 +ATOM 15653 H1 WAT X4522 76.075 22.718 1.298 0.00 0.00 +ATOM 15654 H2 WAT X4522 77.171 22.528 2.325 0.00 0.00 +ATOM 15655 O WAT X4523 56.522 45.568 47.276 0.00 0.00 +ATOM 15656 H1 WAT X4523 56.732 45.800 48.180 0.00 0.00 +ATOM 15657 H2 WAT X4523 55.567 45.497 47.263 0.00 0.00 +ATOM 15658 O WAT X4524 35.008 37.602 4.013 0.00 0.00 +ATOM 15659 H1 WAT X4524 35.754 37.364 3.462 0.00 0.00 +ATOM 15660 H2 WAT X4524 35.308 38.366 4.505 0.00 0.00 +ATOM 15661 O WAT X4525 55.626 1.176 26.079 0.00 0.00 +ATOM 15662 H1 WAT X4525 55.172 1.719 25.434 0.00 0.00 +ATOM 15663 H2 WAT X4525 55.071 0.402 26.174 0.00 0.00 +ATOM 15664 O WAT X4526 73.949 44.330 12.588 0.00 0.00 +ATOM 15665 H1 WAT X4526 74.098 44.291 13.532 0.00 0.00 +ATOM 15666 H2 WAT X4526 74.672 43.827 12.211 0.00 0.00 +ATOM 15667 O WAT X4527 16.133 53.886 29.787 0.00 0.00 +ATOM 15668 H1 WAT X4527 16.167 53.026 30.206 0.00 0.00 +ATOM 15669 H2 WAT X4527 16.935 53.931 29.266 0.00 0.00 +ATOM 15670 O WAT X4528 43.548 27.080 38.929 0.00 0.00 +ATOM 15671 H1 WAT X4528 43.993 27.586 38.249 0.00 0.00 +ATOM 15672 H2 WAT X4528 43.795 26.173 38.752 0.00 0.00 +ATOM 15673 O WAT X4529 16.722 13.340 47.664 0.00 0.00 +ATOM 15674 H1 WAT X4529 15.876 13.329 48.113 0.00 0.00 +ATOM 15675 H2 WAT X4529 17.355 13.542 48.353 0.00 0.00 +ATOM 15676 O WAT X4530 66.345 60.620 23.022 0.00 0.00 +ATOM 15677 H1 WAT X4530 65.789 60.347 23.751 0.00 0.00 +ATOM 15678 H2 WAT X4530 67.202 60.777 23.420 0.00 0.00 +ATOM 15679 O WAT X4531 10.359 44.856 43.974 0.00 0.00 +ATOM 15680 H1 WAT X4531 11.214 44.940 44.395 0.00 0.00 +ATOM 15681 H2 WAT X4531 10.328 43.947 43.674 0.00 0.00 +ATOM 15682 O WAT X4532 1.324 21.058 51.576 0.00 0.00 +ATOM 15683 H1 WAT X4532 0.735 20.570 51.001 0.00 0.00 +ATOM 15684 H2 WAT X4532 2.042 21.334 51.006 0.00 0.00 +ATOM 15685 O WAT X4533 71.221 20.002 52.179 0.00 0.00 +ATOM 15686 H1 WAT X4533 71.972 20.544 51.936 0.00 0.00 +ATOM 15687 H2 WAT X4533 70.636 20.598 52.647 0.00 0.00 +ATOM 15688 O WAT X4534 55.368 21.318 15.840 0.00 0.00 +ATOM 15689 H1 WAT X4534 55.619 20.474 16.216 0.00 0.00 +ATOM 15690 H2 WAT X4534 54.427 21.384 16.006 0.00 0.00 +ATOM 15691 O WAT X4535 13.739 36.036 12.765 0.00 0.00 +ATOM 15692 H1 WAT X4535 14.194 36.365 13.541 0.00 0.00 +ATOM 15693 H2 WAT X4535 13.918 35.096 12.762 0.00 0.00 +ATOM 15694 O WAT X4536 35.178 52.271 24.693 0.00 0.00 +ATOM 15695 H1 WAT X4536 34.563 51.875 25.310 0.00 0.00 +ATOM 15696 H2 WAT X4536 35.193 53.198 24.931 0.00 0.00 +ATOM 15697 O WAT X4537 12.111 15.488 36.263 0.00 0.00 +ATOM 15698 H1 WAT X4537 12.652 14.726 36.058 0.00 0.00 +ATOM 15699 H2 WAT X4537 11.265 15.298 35.858 0.00 0.00 +ATOM 15700 O WAT X4538 60.346 16.463 29.212 0.00 0.00 +ATOM 15701 H1 WAT X4538 59.851 15.674 29.432 0.00 0.00 +ATOM 15702 H2 WAT X4538 60.296 17.005 30.000 0.00 0.00 +ATOM 15703 O WAT X4539 26.114 41.735 57.712 0.00 0.00 +ATOM 15704 H1 WAT X4539 25.947 42.214 56.901 0.00 0.00 +ATOM 15705 H2 WAT X4539 26.705 42.301 58.208 0.00 0.00 +ATOM 15706 O WAT X4540 42.593 6.778 56.728 0.00 0.00 +ATOM 15707 H1 WAT X4540 42.810 7.672 56.464 0.00 0.00 +ATOM 15708 H2 WAT X4540 43.439 6.334 56.787 0.00 0.00 +ATOM 15709 O WAT X4541 16.245 58.453 18.806 0.00 0.00 +ATOM 15710 H1 WAT X4541 15.875 57.576 18.914 0.00 0.00 +ATOM 15711 H2 WAT X4541 15.607 58.917 18.264 0.00 0.00 +ATOM 15712 O WAT X4542 48.951 61.607 1.096 0.00 0.00 +ATOM 15713 H1 WAT X4542 49.835 61.265 0.966 0.00 0.00 +ATOM 15714 H2 WAT X4542 48.971 62.479 0.701 0.00 0.00 +ATOM 15715 O WAT X4543 61.705 25.446 54.140 0.00 0.00 +ATOM 15716 H1 WAT X4543 61.231 26.262 53.979 0.00 0.00 +ATOM 15717 H2 WAT X4543 61.496 24.895 53.386 0.00 0.00 +ATOM 15718 O WAT X4544 26.753 13.199 50.040 0.00 0.00 +ATOM 15719 H1 WAT X4544 26.763 12.242 50.062 0.00 0.00 +ATOM 15720 H2 WAT X4544 27.576 13.457 50.454 0.00 0.00 +ATOM 15721 O WAT X4545 66.987 33.875 8.134 0.00 0.00 +ATOM 15722 H1 WAT X4545 67.387 34.695 7.844 0.00 0.00 +ATOM 15723 H2 WAT X4545 67.258 33.232 7.479 0.00 0.00 +ATOM 15724 O WAT X4546 1.505 55.431 14.227 0.00 0.00 +ATOM 15725 H1 WAT X4546 1.886 55.077 13.423 0.00 0.00 +ATOM 15726 H2 WAT X4546 2.201 55.347 14.878 0.00 0.00 +ATOM 15727 O WAT X4547 72.438 31.361 23.257 0.00 0.00 +ATOM 15728 H1 WAT X4547 72.940 31.397 24.070 0.00 0.00 +ATOM 15729 H2 WAT X4547 73.101 31.350 22.566 0.00 0.00 +ATOM 15730 O WAT X4548 32.935 55.509 15.672 0.00 0.00 +ATOM 15731 H1 WAT X4548 32.683 56.426 15.560 0.00 0.00 +ATOM 15732 H2 WAT X4548 33.887 55.509 15.580 0.00 0.00 +ATOM 15733 O WAT X4549 10.645 34.418 50.711 0.00 0.00 +ATOM 15734 H1 WAT X4549 11.066 33.836 50.079 0.00 0.00 +ATOM 15735 H2 WAT X4549 9.935 33.895 51.083 0.00 0.00 +ATOM 15736 O WAT X4550 59.565 21.548 12.791 0.00 0.00 +ATOM 15737 H1 WAT X4550 59.718 22.334 13.315 0.00 0.00 +ATOM 15738 H2 WAT X4550 58.775 21.746 12.288 0.00 0.00 +ATOM 15739 O WAT X4551 58.384 49.707 56.444 0.00 0.00 +ATOM 15740 H1 WAT X4551 58.890 49.925 57.227 0.00 0.00 +ATOM 15741 H2 WAT X4551 57.612 49.249 56.777 0.00 0.00 +ATOM 15742 O WAT X4552 57.208 2.429 35.790 0.00 0.00 +ATOM 15743 H1 WAT X4552 58.061 2.244 35.397 0.00 0.00 +ATOM 15744 H2 WAT X4552 57.382 2.469 36.731 0.00 0.00 +ATOM 15745 O WAT X4553 26.717 7.253 5.017 0.00 0.00 +ATOM 15746 H1 WAT X4553 26.061 7.218 4.321 0.00 0.00 +ATOM 15747 H2 WAT X4553 27.547 7.376 4.557 0.00 0.00 +ATOM 15748 O WAT X4554 22.767 39.059 39.450 0.00 0.00 +ATOM 15749 H1 WAT X4554 22.792 38.206 39.883 0.00 0.00 +ATOM 15750 H2 WAT X4554 22.087 38.969 38.782 0.00 0.00 +ATOM 15751 O WAT X4555 2.114 13.755 17.131 0.00 0.00 +ATOM 15752 H1 WAT X4555 1.470 14.369 16.777 0.00 0.00 +ATOM 15753 H2 WAT X4555 2.701 13.573 16.397 0.00 0.00 +ATOM 15754 O WAT X4556 51.002 8.408 9.975 0.00 0.00 +ATOM 15755 H1 WAT X4556 50.639 7.582 10.294 0.00 0.00 +ATOM 15756 H2 WAT X4556 50.827 8.399 9.034 0.00 0.00 +ATOM 15757 O WAT X4557 50.528 0.758 11.209 0.00 0.00 +ATOM 15758 H1 WAT X4557 51.146 0.103 11.533 0.00 0.00 +ATOM 15759 H2 WAT X4557 51.078 1.425 10.799 0.00 0.00 +ATOM 15760 O WAT X4558 39.756 42.036 1.599 0.00 0.00 +ATOM 15761 H1 WAT X4558 40.543 42.208 1.081 0.00 0.00 +ATOM 15762 H2 WAT X4558 39.999 42.281 2.491 0.00 0.00 +ATOM 15763 O WAT X4559 44.917 12.972 2.576 0.00 0.00 +ATOM 15764 H1 WAT X4559 45.656 13.569 2.461 0.00 0.00 +ATOM 15765 H2 WAT X4559 44.312 13.446 3.146 0.00 0.00 +ATOM 15766 O WAT X4560 72.609 0.880 46.395 0.00 0.00 +ATOM 15767 H1 WAT X4560 72.259 0.885 45.504 0.00 0.00 +ATOM 15768 H2 WAT X4560 73.392 1.428 46.348 0.00 0.00 +ATOM 15769 O WAT X4561 17.220 2.394 44.343 0.00 0.00 +ATOM 15770 H1 WAT X4561 16.727 3.156 44.040 0.00 0.00 +ATOM 15771 H2 WAT X4561 16.957 2.285 45.256 0.00 0.00 +ATOM 15772 O WAT X4562 29.668 10.872 32.815 0.00 0.00 +ATOM 15773 H1 WAT X4562 29.611 11.705 32.346 0.00 0.00 +ATOM 15774 H2 WAT X4562 29.254 11.045 33.660 0.00 0.00 +ATOM 15775 O WAT X4563 18.897 35.722 58.071 0.00 0.00 +ATOM 15776 H1 WAT X4563 19.802 35.412 58.104 0.00 0.00 +ATOM 15777 H2 WAT X4563 18.889 36.363 57.360 0.00 0.00 +ATOM 15778 O WAT X4564 15.492 34.515 56.035 0.00 0.00 +ATOM 15779 H1 WAT X4564 15.141 33.705 55.664 0.00 0.00 +ATOM 15780 H2 WAT X4564 16.377 34.579 55.676 0.00 0.00 +ATOM 15781 O WAT X4565 10.756 35.034 14.585 0.00 0.00 +ATOM 15782 H1 WAT X4565 10.205 35.811 14.676 0.00 0.00 +ATOM 15783 H2 WAT X4565 10.188 34.307 14.840 0.00 0.00 +ATOM 15784 O WAT X4566 0.802 59.015 49.465 0.00 0.00 +ATOM 15785 H1 WAT X4566 1.614 59.097 49.965 0.00 0.00 +ATOM 15786 H2 WAT X4566 0.831 59.740 48.841 0.00 0.00 +ATOM 15787 O WAT X4567 29.211 15.865 1.372 0.00 0.00 +ATOM 15788 H1 WAT X4567 29.639 15.189 0.846 0.00 0.00 +ATOM 15789 H2 WAT X4567 29.931 16.400 1.707 0.00 0.00 +ATOM 15790 O WAT X4568 51.753 3.745 42.229 0.00 0.00 +ATOM 15791 H1 WAT X4568 51.020 3.129 42.241 0.00 0.00 +ATOM 15792 H2 WAT X4568 52.243 3.551 43.027 0.00 0.00 +ATOM 15793 O WAT X4569 23.272 34.261 56.119 0.00 0.00 +ATOM 15794 H1 WAT X4569 23.778 34.925 56.587 0.00 0.00 +ATOM 15795 H2 WAT X4569 23.047 34.674 55.285 0.00 0.00 +ATOM 15796 O WAT X4570 33.516 52.365 18.208 0.00 0.00 +ATOM 15797 H1 WAT X4570 33.743 53.158 18.694 0.00 0.00 +ATOM 15798 H2 WAT X4570 32.566 52.294 18.298 0.00 0.00 +ATOM 15799 O WAT X4571 78.108 2.989 34.178 0.00 0.00 +ATOM 15800 H1 WAT X4571 77.229 2.618 34.250 0.00 0.00 +ATOM 15801 H2 WAT X4571 77.972 3.936 34.218 0.00 0.00 +ATOM 15802 O WAT X4572 59.005 2.969 54.260 0.00 0.00 +ATOM 15803 H1 WAT X4572 58.749 2.071 54.047 0.00 0.00 +ATOM 15804 H2 WAT X4572 59.888 2.887 54.621 0.00 0.00 +ATOM 15805 O WAT X4573 18.841 8.476 36.655 0.00 0.00 +ATOM 15806 H1 WAT X4573 18.905 8.513 35.701 0.00 0.00 +ATOM 15807 H2 WAT X4573 18.890 7.543 36.862 0.00 0.00 +ATOM 15808 O WAT X4574 66.241 52.866 24.450 0.00 0.00 +ATOM 15809 H1 WAT X4574 65.597 53.485 24.793 0.00 0.00 +ATOM 15810 H2 WAT X4574 66.847 53.406 23.943 0.00 0.00 +ATOM 15811 O WAT X4575 56.078 10.321 20.989 0.00 0.00 +ATOM 15812 H1 WAT X4575 56.609 9.525 21.017 0.00 0.00 +ATOM 15813 H2 WAT X4575 56.697 11.028 21.171 0.00 0.00 +ATOM 15814 O WAT X4576 44.741 8.906 55.610 0.00 0.00 +ATOM 15815 H1 WAT X4576 44.990 8.322 54.893 0.00 0.00 +ATOM 15816 H2 WAT X4576 43.959 9.356 55.291 0.00 0.00 +ATOM 15817 O WAT X4577 26.223 7.635 7.744 0.00 0.00 +ATOM 15818 H1 WAT X4577 26.359 6.716 7.975 0.00 0.00 +ATOM 15819 H2 WAT X4577 26.217 7.643 6.787 0.00 0.00 +ATOM 15820 O WAT X4578 22.738 40.395 7.495 0.00 0.00 +ATOM 15821 H1 WAT X4578 21.827 40.105 7.449 0.00 0.00 +ATOM 15822 H2 WAT X4578 22.780 41.146 6.903 0.00 0.00 +ATOM 15823 O WAT X4579 20.497 2.424 45.979 0.00 0.00 +ATOM 15824 H1 WAT X4579 19.763 1.837 45.800 0.00 0.00 +ATOM 15825 H2 WAT X4579 20.794 2.706 45.114 0.00 0.00 +ATOM 15826 O WAT X4580 30.824 42.106 53.022 0.00 0.00 +ATOM 15827 H1 WAT X4580 30.729 42.399 52.115 0.00 0.00 +ATOM 15828 H2 WAT X4580 31.298 42.816 53.454 0.00 0.00 +ATOM 15829 O WAT X4581 18.855 41.982 52.145 0.00 0.00 +ATOM 15830 H1 WAT X4581 18.050 41.988 51.626 0.00 0.00 +ATOM 15831 H2 WAT X4581 18.613 41.534 52.956 0.00 0.00 +ATOM 15832 O WAT X4582 22.197 5.110 0.596 0.00 0.00 +ATOM 15833 H1 WAT X4582 22.360 4.167 0.620 0.00 0.00 +ATOM 15834 H2 WAT X4582 22.627 5.407 -0.206 0.00 0.00 +ATOM 15835 O WAT X4583 33.173 25.225 31.472 0.00 0.00 +ATOM 15836 H1 WAT X4583 32.524 25.370 32.160 0.00 0.00 +ATOM 15837 H2 WAT X4583 32.730 25.489 30.665 0.00 0.00 +ATOM 15838 O WAT X4584 56.453 58.302 50.543 0.00 0.00 +ATOM 15839 H1 WAT X4584 56.347 58.210 49.596 0.00 0.00 +ATOM 15840 H2 WAT X4584 56.707 59.216 50.668 0.00 0.00 +ATOM 15841 O WAT X4585 57.436 24.298 25.409 0.00 0.00 +ATOM 15842 H1 WAT X4585 56.877 24.664 24.723 0.00 0.00 +ATOM 15843 H2 WAT X4585 58.067 23.753 24.938 0.00 0.00 +ATOM 15844 O WAT X4586 59.117 47.936 18.520 0.00 0.00 +ATOM 15845 H1 WAT X4586 59.464 48.728 18.109 0.00 0.00 +ATOM 15846 H2 WAT X4586 59.724 47.752 19.237 0.00 0.00 +ATOM 15847 O WAT X4587 29.461 20.584 24.029 0.00 0.00 +ATOM 15848 H1 WAT X4587 29.063 20.315 24.857 0.00 0.00 +ATOM 15849 H2 WAT X4587 28.733 20.598 23.407 0.00 0.00 +ATOM 15850 O WAT X4588 0.618 28.992 14.099 0.00 0.00 +ATOM 15851 H1 WAT X4588 0.531 28.540 13.260 0.00 0.00 +ATOM 15852 H2 WAT X4588 1.561 29.023 14.258 0.00 0.00 +ATOM 15853 O WAT X4589 46.817 41.013 5.794 0.00 0.00 +ATOM 15854 H1 WAT X4589 46.911 40.686 4.899 0.00 0.00 +ATOM 15855 H2 WAT X4589 46.359 41.848 5.697 0.00 0.00 +ATOM 15856 O WAT X4590 10.433 3.853 15.913 0.00 0.00 +ATOM 15857 H1 WAT X4590 9.732 3.433 15.415 0.00 0.00 +ATOM 15858 H2 WAT X4590 10.122 4.746 16.059 0.00 0.00 +ATOM 15859 O WAT X4591 16.997 25.594 38.395 0.00 0.00 +ATOM 15860 H1 WAT X4591 16.213 25.184 38.761 0.00 0.00 +ATOM 15861 H2 WAT X4591 16.662 26.306 37.849 0.00 0.00 +ATOM 15862 O WAT X4592 52.772 21.383 16.338 0.00 0.00 +ATOM 15863 H1 WAT X4592 52.319 22.190 16.093 0.00 0.00 +ATOM 15864 H2 WAT X4592 52.671 20.811 15.578 0.00 0.00 +ATOM 15865 O WAT X4593 17.910 30.335 50.025 0.00 0.00 +ATOM 15866 H1 WAT X4593 18.301 31.126 50.395 0.00 0.00 +ATOM 15867 H2 WAT X4593 17.040 30.610 49.737 0.00 0.00 +ATOM 15868 O WAT X4594 17.613 22.651 4.845 0.00 0.00 +ATOM 15869 H1 WAT X4594 17.221 22.257 5.624 0.00 0.00 +ATOM 15870 H2 WAT X4594 17.342 22.080 4.126 0.00 0.00 +ATOM 15871 O WAT X4595 49.062 35.658 57.139 0.00 0.00 +ATOM 15872 H1 WAT X4595 49.835 36.024 56.710 0.00 0.00 +ATOM 15873 H2 WAT X4595 48.513 35.348 56.419 0.00 0.00 +ATOM 15874 O WAT X4596 3.423 53.547 57.735 0.00 0.00 +ATOM 15875 H1 WAT X4596 2.769 53.319 57.076 0.00 0.00 +ATOM 15876 H2 WAT X4596 3.093 53.159 58.546 0.00 0.00 +ATOM 15877 O WAT X4597 54.760 47.063 41.942 0.00 0.00 +ATOM 15878 H1 WAT X4597 55.609 46.689 41.704 0.00 0.00 +ATOM 15879 H2 WAT X4597 54.726 46.990 42.896 0.00 0.00 +ATOM 15880 O WAT X4598 73.373 53.581 51.344 0.00 0.00 +ATOM 15881 H1 WAT X4598 74.144 53.453 50.791 0.00 0.00 +ATOM 15882 H2 WAT X4598 73.677 53.378 52.229 0.00 0.00 +ATOM 15883 O WAT X4599 60.222 9.787 42.975 0.00 0.00 +ATOM 15884 H1 WAT X4599 59.905 9.004 42.525 0.00 0.00 +ATOM 15885 H2 WAT X4599 59.847 9.727 43.854 0.00 0.00 +ATOM 15886 O WAT X4600 5.245 46.784 21.279 0.00 0.00 +ATOM 15887 H1 WAT X4600 5.447 46.651 22.205 0.00 0.00 +ATOM 15888 H2 WAT X4600 4.382 46.387 21.162 0.00 0.00 +ATOM 15889 O WAT X4601 50.400 52.469 52.682 0.00 0.00 +ATOM 15890 H1 WAT X4601 51.340 52.613 52.785 0.00 0.00 +ATOM 15891 H2 WAT X4601 50.070 52.387 53.577 0.00 0.00 +ATOM 15892 O WAT X4602 11.581 21.178 57.408 0.00 0.00 +ATOM 15893 H1 WAT X4602 11.364 20.491 58.038 0.00 0.00 +ATOM 15894 H2 WAT X4602 10.733 21.474 57.076 0.00 0.00 +ATOM 15895 O WAT X4603 43.450 5.414 53.792 0.00 0.00 +ATOM 15896 H1 WAT X4603 44.206 5.981 53.941 0.00 0.00 +ATOM 15897 H2 WAT X4603 42.751 6.011 53.526 0.00 0.00 +ATOM 15898 O WAT X4604 67.548 61.147 34.697 0.00 0.00 +ATOM 15899 H1 WAT X4604 66.784 60.878 35.207 0.00 0.00 +ATOM 15900 H2 WAT X4604 67.494 62.102 34.669 0.00 0.00 +ATOM 15901 O WAT X4605 2.154 49.461 32.661 0.00 0.00 +ATOM 15902 H1 WAT X4605 2.311 48.735 32.057 0.00 0.00 +ATOM 15903 H2 WAT X4605 3.026 49.807 32.850 0.00 0.00 +ATOM 15904 O WAT X4606 53.540 7.648 52.081 0.00 0.00 +ATOM 15905 H1 WAT X4606 54.143 6.980 51.757 0.00 0.00 +ATOM 15906 H2 WAT X4606 52.878 7.727 51.395 0.00 0.00 +ATOM 15907 O WAT X4607 41.398 0.927 19.106 0.00 0.00 +ATOM 15908 H1 WAT X4607 42.256 1.347 19.164 0.00 0.00 +ATOM 15909 H2 WAT X4607 40.975 1.128 19.942 0.00 0.00 +ATOM 15910 O WAT X4608 26.239 16.177 52.707 0.00 0.00 +ATOM 15911 H1 WAT X4608 25.328 16.144 52.418 0.00 0.00 +ATOM 15912 H2 WAT X4608 26.680 16.715 52.049 0.00 0.00 +ATOM 15913 O WAT X4609 59.880 37.569 5.505 0.00 0.00 +ATOM 15914 H1 WAT X4609 60.125 36.813 6.040 0.00 0.00 +ATOM 15915 H2 WAT X4609 59.087 37.292 5.048 0.00 0.00 +ATOM 15916 O WAT X4610 49.018 24.636 41.523 0.00 0.00 +ATOM 15917 H1 WAT X4610 49.364 23.749 41.618 0.00 0.00 +ATOM 15918 H2 WAT X4610 48.308 24.550 40.886 0.00 0.00 +ATOM 15919 O WAT X4611 46.996 25.124 39.797 0.00 0.00 +ATOM 15920 H1 WAT X4611 46.435 25.177 39.023 0.00 0.00 +ATOM 15921 H2 WAT X4611 46.787 25.912 40.299 0.00 0.00 +ATOM 15922 O WAT X4612 16.363 9.098 35.286 0.00 0.00 +ATOM 15923 H1 WAT X4612 17.103 9.014 35.887 0.00 0.00 +ATOM 15924 H2 WAT X4612 15.642 9.404 35.835 0.00 0.00 +ATOM 15925 O WAT X4613 6.089 40.788 18.543 0.00 0.00 +ATOM 15926 H1 WAT X4613 5.775 40.068 17.996 0.00 0.00 +ATOM 15927 H2 WAT X4613 5.649 41.563 18.195 0.00 0.00 +ATOM 15928 O WAT X4614 40.506 30.988 2.288 0.00 0.00 +ATOM 15929 H1 WAT X4614 41.423 30.753 2.145 0.00 0.00 +ATOM 15930 H2 WAT X4614 40.013 30.230 1.974 0.00 0.00 +ATOM 15931 O WAT X4615 69.845 15.925 40.989 0.00 0.00 +ATOM 15932 H1 WAT X4615 70.264 15.389 41.662 0.00 0.00 +ATOM 15933 H2 WAT X4615 69.644 15.310 40.284 0.00 0.00 +ATOM 15934 O WAT X4616 2.255 37.036 39.963 0.00 0.00 +ATOM 15935 H1 WAT X4616 2.802 36.276 40.161 0.00 0.00 +ATOM 15936 H2 WAT X4616 1.358 36.724 40.085 0.00 0.00 +ATOM 15937 O WAT X4617 11.665 29.834 23.132 0.00 0.00 +ATOM 15938 H1 WAT X4617 12.345 29.189 23.328 0.00 0.00 +ATOM 15939 H2 WAT X4617 11.075 29.796 23.885 0.00 0.00 +ATOM 15940 O WAT X4618 21.502 44.410 0.445 0.00 0.00 +ATOM 15941 H1 WAT X4618 21.665 44.795 1.307 0.00 0.00 +ATOM 15942 H2 WAT X4618 20.568 44.553 0.293 0.00 0.00 +ATOM 15943 O WAT X4619 54.106 51.282 58.608 0.00 0.00 +ATOM 15944 H1 WAT X4619 53.464 51.977 58.462 0.00 0.00 +ATOM 15945 H2 WAT X4619 54.840 51.511 58.038 0.00 0.00 +ATOM 15946 O WAT X4620 69.168 36.858 39.881 0.00 0.00 +ATOM 15947 H1 WAT X4620 69.085 37.742 39.523 0.00 0.00 +ATOM 15948 H2 WAT X4620 70.075 36.610 39.699 0.00 0.00 +ATOM 15949 O WAT X4621 21.098 10.365 29.158 0.00 0.00 +ATOM 15950 H1 WAT X4621 21.291 11.282 29.350 0.00 0.00 +ATOM 15951 H2 WAT X4621 21.824 10.077 28.605 0.00 0.00 +ATOM 15952 O WAT X4622 74.460 38.579 2.406 0.00 0.00 +ATOM 15953 H1 WAT X4622 73.998 38.546 1.568 0.00 0.00 +ATOM 15954 H2 WAT X4622 75.327 38.222 2.215 0.00 0.00 +ATOM 15955 O WAT X4623 37.058 58.123 23.059 0.00 0.00 +ATOM 15956 H1 WAT X4623 37.388 58.778 22.444 0.00 0.00 +ATOM 15957 H2 WAT X4623 36.187 57.902 22.729 0.00 0.00 +ATOM 15958 O WAT X4624 11.403 52.169 35.577 0.00 0.00 +ATOM 15959 H1 WAT X4624 11.288 51.403 36.138 0.00 0.00 +ATOM 15960 H2 WAT X4624 11.251 51.842 34.690 0.00 0.00 +ATOM 15961 O WAT X4625 17.490 24.590 10.950 0.00 0.00 +ATOM 15962 H1 WAT X4625 17.593 25.537 11.041 0.00 0.00 +ATOM 15963 H2 WAT X4625 17.784 24.401 10.059 0.00 0.00 +ATOM 15964 O WAT X4626 34.244 20.693 19.341 0.00 0.00 +ATOM 15965 H1 WAT X4626 33.705 21.309 19.836 0.00 0.00 +ATOM 15966 H2 WAT X4626 34.585 20.089 20.001 0.00 0.00 +ATOM 15967 O WAT X4627 23.819 9.649 27.843 0.00 0.00 +ATOM 15968 H1 WAT X4627 24.083 10.055 28.668 0.00 0.00 +ATOM 15969 H2 WAT X4627 23.471 10.372 27.321 0.00 0.00 +ATOM 15970 O WAT X4628 28.316 45.137 52.840 0.00 0.00 +ATOM 15971 H1 WAT X4628 28.752 45.259 53.683 0.00 0.00 +ATOM 15972 H2 WAT X4628 29.012 44.843 52.251 0.00 0.00 +ATOM 15973 O WAT X4629 53.730 29.478 50.647 0.00 0.00 +ATOM 15974 H1 WAT X4629 52.900 29.107 50.346 0.00 0.00 +ATOM 15975 H2 WAT X4629 53.882 30.225 50.069 0.00 0.00 +ATOM 15976 O WAT X4630 74.588 60.911 55.513 0.00 0.00 +ATOM 15977 H1 WAT X4630 74.587 59.987 55.765 0.00 0.00 +ATOM 15978 H2 WAT X4630 75.386 61.016 54.994 0.00 0.00 +ATOM 15979 O WAT X4631 57.360 21.046 9.492 0.00 0.00 +ATOM 15980 H1 WAT X4631 57.208 21.877 9.942 0.00 0.00 +ATOM 15981 H2 WAT X4631 56.635 20.974 8.871 0.00 0.00 +ATOM 15982 O WAT X4632 58.556 45.326 7.827 0.00 0.00 +ATOM 15983 H1 WAT X4632 57.635 45.416 7.585 0.00 0.00 +ATOM 15984 H2 WAT X4632 58.810 46.198 8.131 0.00 0.00 +ATOM 15985 O WAT X4633 17.113 8.646 6.621 0.00 0.00 +ATOM 15986 H1 WAT X4633 17.883 8.782 6.069 0.00 0.00 +ATOM 15987 H2 WAT X4633 17.449 8.192 7.394 0.00 0.00 +ATOM 15988 O WAT X4634 35.525 40.964 47.152 0.00 0.00 +ATOM 15989 H1 WAT X4634 34.761 40.406 47.296 0.00 0.00 +ATOM 15990 H2 WAT X4634 35.863 41.138 48.030 0.00 0.00 +ATOM 15991 O WAT X4635 45.665 12.602 29.707 0.00 0.00 +ATOM 15992 H1 WAT X4635 45.866 11.853 30.269 0.00 0.00 +ATOM 15993 H2 WAT X4635 46.046 13.353 30.162 0.00 0.00 +ATOM 15994 O WAT X4636 74.102 3.425 53.612 0.00 0.00 +ATOM 15995 H1 WAT X4636 74.161 3.325 52.661 0.00 0.00 +ATOM 15996 H2 WAT X4636 73.917 2.543 53.934 0.00 0.00 +ATOM 15997 O WAT X4637 13.337 42.993 54.293 0.00 0.00 +ATOM 15998 H1 WAT X4637 13.654 42.316 54.891 0.00 0.00 +ATOM 15999 H2 WAT X4637 12.388 43.001 54.421 0.00 0.00 +ATOM 16000 O WAT X4638 31.753 27.983 54.644 0.00 0.00 +ATOM 16001 H1 WAT X4638 31.675 28.401 55.502 0.00 0.00 +ATOM 16002 H2 WAT X4638 30.857 27.740 54.413 0.00 0.00 +ATOM 16003 O WAT X4639 8.524 61.616 40.096 0.00 0.00 +ATOM 16004 H1 WAT X4639 8.571 62.538 39.845 0.00 0.00 +ATOM 16005 H2 WAT X4639 9.352 61.243 39.793 0.00 0.00 +ATOM 16006 O WAT X4640 2.554 25.601 35.780 0.00 0.00 +ATOM 16007 H1 WAT X4640 2.474 26.441 35.328 0.00 0.00 +ATOM 16008 H2 WAT X4640 3.485 25.388 35.728 0.00 0.00 +ATOM 16009 O WAT X4641 13.698 28.496 39.476 0.00 0.00 +ATOM 16010 H1 WAT X4641 13.882 28.514 40.415 0.00 0.00 +ATOM 16011 H2 WAT X4641 14.031 29.332 39.151 0.00 0.00 +ATOM 16012 O WAT X4642 40.309 0.977 55.662 0.00 0.00 +ATOM 16013 H1 WAT X4642 40.542 0.399 56.388 0.00 0.00 +ATOM 16014 H2 WAT X4642 39.902 0.400 55.017 0.00 0.00 +ATOM 16015 O WAT X4643 14.794 24.278 15.513 0.00 0.00 +ATOM 16016 H1 WAT X4643 14.239 23.625 15.085 0.00 0.00 +ATOM 16017 H2 WAT X4643 15.679 24.078 15.207 0.00 0.00 +ATOM 16018 O WAT X4644 7.829 11.128 54.280 0.00 0.00 +ATOM 16019 H1 WAT X4644 7.640 11.042 53.346 0.00 0.00 +ATOM 16020 H2 WAT X4644 7.715 10.244 54.629 0.00 0.00 +ATOM 16021 O WAT X4645 25.374 49.210 28.177 0.00 0.00 +ATOM 16022 H1 WAT X4645 25.546 49.714 28.973 0.00 0.00 +ATOM 16023 H2 WAT X4645 26.233 48.884 27.910 0.00 0.00 +ATOM 16024 O WAT X4646 29.403 0.787 14.103 0.00 0.00 +ATOM 16025 H1 WAT X4646 28.919 0.499 13.329 0.00 0.00 +ATOM 16026 H2 WAT X4646 28.735 1.170 14.673 0.00 0.00 +ATOM 16027 O WAT X4647 45.772 2.415 4.322 0.00 0.00 +ATOM 16028 H1 WAT X4647 46.396 1.816 3.912 0.00 0.00 +ATOM 16029 H2 WAT X4647 45.088 1.844 4.674 0.00 0.00 +ATOM 16030 O WAT X4648 73.296 36.327 16.229 0.00 0.00 +ATOM 16031 H1 WAT X4648 72.420 36.691 16.102 0.00 0.00 +ATOM 16032 H2 WAT X4648 73.431 35.758 15.471 0.00 0.00 +ATOM 16033 O WAT X4649 57.806 40.911 6.576 0.00 0.00 +ATOM 16034 H1 WAT X4649 57.118 41.300 7.116 0.00 0.00 +ATOM 16035 H2 WAT X4649 58.162 41.646 6.076 0.00 0.00 +ATOM 16036 O WAT X4650 35.620 31.816 43.888 0.00 0.00 +ATOM 16037 H1 WAT X4650 36.561 31.696 44.015 0.00 0.00 +ATOM 16038 H2 WAT X4650 35.258 31.822 44.775 0.00 0.00 +ATOM 16039 O WAT X4651 25.505 18.307 20.517 0.00 0.00 +ATOM 16040 H1 WAT X4651 25.912 17.669 19.931 0.00 0.00 +ATOM 16041 H2 WAT X4651 24.968 18.852 19.943 0.00 0.00 +ATOM 16042 O WAT X4652 4.793 33.333 53.707 0.00 0.00 +ATOM 16043 H1 WAT X4652 5.260 33.760 52.989 0.00 0.00 +ATOM 16044 H2 WAT X4652 5.071 32.418 53.663 0.00 0.00 +ATOM 16045 O WAT X4653 37.545 24.249 23.440 0.00 0.00 +ATOM 16046 H1 WAT X4653 37.244 25.023 23.916 0.00 0.00 +ATOM 16047 H2 WAT X4653 36.758 23.908 23.014 0.00 0.00 +ATOM 16048 O WAT X4654 43.119 39.204 46.408 0.00 0.00 +ATOM 16049 H1 WAT X4654 42.521 39.910 46.656 0.00 0.00 +ATOM 16050 H2 WAT X4654 43.194 38.666 47.195 0.00 0.00 +ATOM 16051 O WAT X4655 60.916 52.076 38.886 0.00 0.00 +ATOM 16052 H1 WAT X4655 60.696 51.178 38.641 0.00 0.00 +ATOM 16053 H2 WAT X4655 60.199 52.352 39.456 0.00 0.00 +ATOM 16054 O WAT X4656 60.667 17.675 56.680 0.00 0.00 +ATOM 16055 H1 WAT X4656 61.472 18.063 56.336 0.00 0.00 +ATOM 16056 H2 WAT X4656 60.061 18.412 56.759 0.00 0.00 +ATOM 16057 O WAT X4657 45.062 11.375 8.106 0.00 0.00 +ATOM 16058 H1 WAT X4657 44.943 10.783 8.848 0.00 0.00 +ATOM 16059 H2 WAT X4657 45.937 11.171 7.775 0.00 0.00 +ATOM 16060 O WAT X4658 40.664 62.467 48.318 0.00 0.00 +ATOM 16061 H1 WAT X4658 41.267 62.222 49.020 0.00 0.00 +ATOM 16062 H2 WAT X4658 39.813 62.141 48.609 0.00 0.00 +ATOM 16063 O WAT X4659 5.788 11.114 32.773 0.00 0.00 +ATOM 16064 H1 WAT X4659 5.371 10.257 32.686 0.00 0.00 +ATOM 16065 H2 WAT X4659 5.478 11.447 33.615 0.00 0.00 +ATOM 16066 O WAT X4660 42.267 14.104 1.701 0.00 0.00 +ATOM 16067 H1 WAT X4660 43.047 13.922 1.177 0.00 0.00 +ATOM 16068 H2 WAT X4660 41.537 13.821 1.150 0.00 0.00 +ATOM 16069 O WAT X4661 44.262 6.878 10.796 0.00 0.00 +ATOM 16070 H1 WAT X4661 44.511 5.979 11.012 0.00 0.00 +ATOM 16071 H2 WAT X4661 43.553 7.083 11.406 0.00 0.00 +ATOM 16072 O WAT X4662 41.620 43.989 3.592 0.00 0.00 +ATOM 16073 H1 WAT X4662 40.962 44.634 3.332 0.00 0.00 +ATOM 16074 H2 WAT X4662 41.311 43.657 4.435 0.00 0.00 +ATOM 16075 O WAT X4663 75.219 25.827 18.385 0.00 0.00 +ATOM 16076 H1 WAT X4663 75.718 25.965 17.580 0.00 0.00 +ATOM 16077 H2 WAT X4663 74.771 26.659 18.535 0.00 0.00 +ATOM 16078 O WAT X4664 48.803 3.295 15.971 0.00 0.00 +ATOM 16079 H1 WAT X4664 47.890 3.101 15.759 0.00 0.00 +ATOM 16080 H2 WAT X4664 49.165 3.655 15.162 0.00 0.00 +ATOM 16081 O WAT X4665 25.123 54.868 24.458 0.00 0.00 +ATOM 16082 H1 WAT X4665 24.238 55.101 24.738 0.00 0.00 +ATOM 16083 H2 WAT X4665 25.013 54.051 23.971 0.00 0.00 +ATOM 16084 O WAT X4666 45.497 58.928 49.397 0.00 0.00 +ATOM 16085 H1 WAT X4666 44.716 59.470 49.290 0.00 0.00 +ATOM 16086 H2 WAT X4666 46.097 59.234 48.716 0.00 0.00 +ATOM 16087 O WAT X4667 52.343 19.984 22.525 0.00 0.00 +ATOM 16088 H1 WAT X4667 52.571 19.650 23.393 0.00 0.00 +ATOM 16089 H2 WAT X4667 52.488 19.242 21.938 0.00 0.00 +ATOM 16090 O WAT X4668 33.279 39.841 39.592 0.00 0.00 +ATOM 16091 H1 WAT X4668 33.370 40.785 39.722 0.00 0.00 +ATOM 16092 H2 WAT X4668 32.871 39.527 40.398 0.00 0.00 +ATOM 16093 O WAT X4669 67.656 48.904 47.076 0.00 0.00 +ATOM 16094 H1 WAT X4669 66.930 49.190 47.630 0.00 0.00 +ATOM 16095 H2 WAT X4669 67.489 49.317 46.229 0.00 0.00 +ATOM 16096 O WAT X4670 38.700 13.835 2.066 0.00 0.00 +ATOM 16097 H1 WAT X4670 39.055 14.723 2.107 0.00 0.00 +ATOM 16098 H2 WAT X4670 38.323 13.687 2.934 0.00 0.00 +ATOM 16099 O WAT X4671 69.665 14.097 54.202 0.00 0.00 +ATOM 16100 H1 WAT X4671 70.605 13.991 54.056 0.00 0.00 +ATOM 16101 H2 WAT X4671 69.509 13.702 55.060 0.00 0.00 +ATOM 16102 O WAT X4672 43.370 40.567 2.168 0.00 0.00 +ATOM 16103 H1 WAT X4672 42.783 40.597 1.413 0.00 0.00 +ATOM 16104 H2 WAT X4672 44.245 40.674 1.796 0.00 0.00 +ATOM 16105 O WAT X4673 60.401 41.927 15.286 0.00 0.00 +ATOM 16106 H1 WAT X4673 60.846 42.106 16.115 0.00 0.00 +ATOM 16107 H2 WAT X4673 60.131 42.788 14.968 0.00 0.00 +ATOM 16108 O WAT X4674 33.648 0.839 6.032 0.00 0.00 +ATOM 16109 H1 WAT X4674 34.349 1.487 5.959 0.00 0.00 +ATOM 16110 H2 WAT X4674 33.929 0.117 5.471 0.00 0.00 +ATOM 16111 O WAT X4675 44.306 59.047 37.126 0.00 0.00 +ATOM 16112 H1 WAT X4675 43.775 59.775 37.449 0.00 0.00 +ATOM 16113 H2 WAT X4675 44.089 58.987 36.195 0.00 0.00 +ATOM 16114 O WAT X4676 56.805 36.427 5.511 0.00 0.00 +ATOM 16115 H1 WAT X4676 56.806 37.383 5.556 0.00 0.00 +ATOM 16116 H2 WAT X4676 56.024 36.213 5.001 0.00 0.00 +ATOM 16117 O WAT X4677 45.565 55.588 15.475 0.00 0.00 +ATOM 16118 H1 WAT X4677 45.548 55.406 14.535 0.00 0.00 +ATOM 16119 H2 WAT X4677 45.506 56.541 15.535 0.00 0.00 +ATOM 16120 O WAT X4678 13.211 17.536 0.148 0.00 0.00 +ATOM 16121 H1 WAT X4678 13.583 17.035 -0.579 0.00 0.00 +ATOM 16122 H2 WAT X4678 13.956 17.712 0.723 0.00 0.00 +ATOM 16123 O WAT X4679 28.284 60.142 12.371 0.00 0.00 +ATOM 16124 H1 WAT X4679 28.648 59.350 11.975 0.00 0.00 +ATOM 16125 H2 WAT X4679 28.121 59.900 13.283 0.00 0.00 +ATOM 16126 O WAT X4680 5.674 59.131 25.371 0.00 0.00 +ATOM 16127 H1 WAT X4680 6.367 59.693 25.717 0.00 0.00 +ATOM 16128 H2 WAT X4680 4.939 59.261 25.971 0.00 0.00 +ATOM 16129 O WAT X4681 36.526 55.906 33.280 0.00 0.00 +ATOM 16130 H1 WAT X4681 36.442 56.859 33.258 0.00 0.00 +ATOM 16131 H2 WAT X4681 37.055 55.731 34.059 0.00 0.00 +ATOM 16132 O WAT X4682 44.043 60.997 6.176 0.00 0.00 +ATOM 16133 H1 WAT X4682 43.944 61.615 5.452 0.00 0.00 +ATOM 16134 H2 WAT X4682 43.410 61.293 6.831 0.00 0.00 +ATOM 16135 O WAT X4683 41.391 27.494 4.677 0.00 0.00 +ATOM 16136 H1 WAT X4683 40.831 26.785 4.361 0.00 0.00 +ATOM 16137 H2 WAT X4683 40.904 27.880 5.404 0.00 0.00 +ATOM 16138 O WAT X4684 13.797 28.532 -0.104 0.00 0.00 +ATOM 16139 H1 WAT X4684 13.316 28.652 0.715 0.00 0.00 +ATOM 16140 H2 WAT X4684 14.706 28.405 0.168 0.00 0.00 +ATOM 16141 O WAT X4685 2.648 17.444 27.714 0.00 0.00 +ATOM 16142 H1 WAT X4685 2.041 17.958 28.247 0.00 0.00 +ATOM 16143 H2 WAT X4685 2.894 16.708 28.275 0.00 0.00 +ATOM 16144 O WAT X4686 32.485 25.054 44.110 0.00 0.00 +ATOM 16145 H1 WAT X4686 32.039 25.095 43.264 0.00 0.00 +ATOM 16146 H2 WAT X4686 33.229 25.649 44.017 0.00 0.00 +ATOM 16147 O WAT X4687 19.232 24.540 39.444 0.00 0.00 +ATOM 16148 H1 WAT X4687 18.579 24.970 38.892 0.00 0.00 +ATOM 16149 H2 WAT X4687 19.180 25.001 40.281 0.00 0.00 +ATOM 16150 O WAT X4688 66.588 40.891 12.373 0.00 0.00 +ATOM 16151 H1 WAT X4688 66.618 41.589 11.719 0.00 0.00 +ATOM 16152 H2 WAT X4688 65.986 40.244 12.006 0.00 0.00 +ATOM 16153 O WAT X4689 44.408 17.877 26.500 0.00 0.00 +ATOM 16154 H1 WAT X4689 44.534 17.349 27.289 0.00 0.00 +ATOM 16155 H2 WAT X4689 43.676 18.455 26.714 0.00 0.00 +ATOM 16156 O WAT X4690 66.030 37.588 7.372 0.00 0.00 +ATOM 16157 H1 WAT X4690 65.345 36.920 7.400 0.00 0.00 +ATOM 16158 H2 WAT X4690 66.086 37.835 6.449 0.00 0.00 +ATOM 16159 O WAT X4691 46.975 1.999 27.088 0.00 0.00 +ATOM 16160 H1 WAT X4691 47.914 1.813 27.083 0.00 0.00 +ATOM 16161 H2 WAT X4691 46.581 1.253 26.636 0.00 0.00 +ATOM 16162 O WAT X4692 52.392 20.968 26.812 0.00 0.00 +ATOM 16163 H1 WAT X4692 51.595 20.496 27.053 0.00 0.00 +ATOM 16164 H2 WAT X4692 52.078 21.770 26.393 0.00 0.00 +ATOM 16165 O WAT X4693 59.965 47.782 50.608 0.00 0.00 +ATOM 16166 H1 WAT X4693 59.617 47.485 49.766 0.00 0.00 +ATOM 16167 H2 WAT X4693 59.337 48.439 50.908 0.00 0.00 +ATOM 16168 O WAT X4694 27.154 55.386 56.895 0.00 0.00 +ATOM 16169 H1 WAT X4694 27.862 55.783 56.388 0.00 0.00 +ATOM 16170 H2 WAT X4694 27.082 55.934 57.676 0.00 0.00 +ATOM 16171 O WAT X4695 35.951 39.802 1.011 0.00 0.00 +ATOM 16172 H1 WAT X4695 35.363 40.191 1.658 0.00 0.00 +ATOM 16173 H2 WAT X4695 36.797 39.751 1.457 0.00 0.00 +ATOM 16174 O WAT X4696 51.010 61.212 29.773 0.00 0.00 +ATOM 16175 H1 WAT X4696 51.208 61.652 28.947 0.00 0.00 +ATOM 16176 H2 WAT X4696 50.832 60.305 29.525 0.00 0.00 +ATOM 16177 O WAT X4697 30.808 14.414 24.520 0.00 0.00 +ATOM 16178 H1 WAT X4697 29.932 14.091 24.733 0.00 0.00 +ATOM 16179 H2 WAT X4697 31.387 13.673 24.700 0.00 0.00 +ATOM 16180 O WAT X4698 34.950 15.001 29.487 0.00 0.00 +ATOM 16181 H1 WAT X4698 34.188 14.563 29.108 0.00 0.00 +ATOM 16182 H2 WAT X4698 34.590 15.551 30.183 0.00 0.00 +ATOM 16183 O WAT X4699 1.823 23.972 29.149 0.00 0.00 +ATOM 16184 H1 WAT X4699 2.312 23.483 29.811 0.00 0.00 +ATOM 16185 H2 WAT X4699 1.961 23.482 28.339 0.00 0.00 +ATOM 16186 O WAT X4700 42.317 9.152 16.565 0.00 0.00 +ATOM 16187 H1 WAT X4700 42.685 8.685 17.315 0.00 0.00 +ATOM 16188 H2 WAT X4700 41.370 9.093 16.688 0.00 0.00 +ATOM 16189 O WAT X4701 36.075 17.933 36.890 0.00 0.00 +ATOM 16190 H1 WAT X4701 35.449 18.253 36.240 0.00 0.00 +ATOM 16191 H2 WAT X4701 36.482 18.725 37.241 0.00 0.00 +ATOM 16192 O WAT X4702 62.617 19.486 16.204 0.00 0.00 +ATOM 16193 H1 WAT X4702 63.154 19.376 15.419 0.00 0.00 +ATOM 16194 H2 WAT X4702 62.015 20.197 15.984 0.00 0.00 +ATOM 16195 O WAT X4703 17.752 50.735 55.888 0.00 0.00 +ATOM 16196 H1 WAT X4703 17.838 51.498 55.316 0.00 0.00 +ATOM 16197 H2 WAT X4703 16.895 50.369 55.671 0.00 0.00 +ATOM 16198 O WAT X4704 20.091 19.869 27.083 0.00 0.00 +ATOM 16199 H1 WAT X4704 19.977 19.133 26.482 0.00 0.00 +ATOM 16200 H2 WAT X4704 19.260 19.923 27.555 0.00 0.00 +ATOM 16201 O WAT X4705 75.343 18.125 1.746 0.00 0.00 +ATOM 16202 H1 WAT X4705 75.598 17.501 2.426 0.00 0.00 +ATOM 16203 H2 WAT X4705 75.935 18.868 1.869 0.00 0.00 +ATOM 16204 O WAT X4706 19.172 26.259 13.824 0.00 0.00 +ATOM 16205 H1 WAT X4706 18.414 26.778 13.555 0.00 0.00 +ATOM 16206 H2 WAT X4706 19.763 26.891 14.233 0.00 0.00 +ATOM 16207 O WAT X4707 40.899 14.488 51.656 0.00 0.00 +ATOM 16208 H1 WAT X4707 40.362 14.055 50.992 0.00 0.00 +ATOM 16209 H2 WAT X4707 41.658 14.815 51.175 0.00 0.00 +ATOM 16210 O WAT X4708 24.077 16.965 8.268 0.00 0.00 +ATOM 16211 H1 WAT X4708 23.651 16.109 8.218 0.00 0.00 +ATOM 16212 H2 WAT X4708 24.538 16.954 9.107 0.00 0.00 +ATOM 16213 O WAT X4709 57.772 50.438 15.396 0.00 0.00 +ATOM 16214 H1 WAT X4709 57.362 50.631 16.239 0.00 0.00 +ATOM 16215 H2 WAT X4709 58.250 51.237 15.174 0.00 0.00 +ATOM 16216 O WAT X4710 44.623 5.338 58.117 0.00 0.00 +ATOM 16217 H1 WAT X4710 44.768 6.016 58.776 0.00 0.00 +ATOM 16218 H2 WAT X4710 45.472 4.904 58.029 0.00 0.00 +ATOM 16219 O WAT X4711 36.829 0.829 10.516 0.00 0.00 +ATOM 16220 H1 WAT X4711 37.261 0.511 11.309 0.00 0.00 +ATOM 16221 H2 WAT X4711 36.156 1.430 10.834 0.00 0.00 +ATOM 16222 O WAT X4712 66.275 14.551 56.750 0.00 0.00 +ATOM 16223 H1 WAT X4712 66.586 14.155 57.565 0.00 0.00 +ATOM 16224 H2 WAT X4712 65.426 14.137 56.592 0.00 0.00 +ATOM 16225 O WAT X4713 39.210 60.114 10.116 0.00 0.00 +ATOM 16226 H1 WAT X4713 39.937 59.745 9.614 0.00 0.00 +ATOM 16227 H2 WAT X4713 39.494 61.003 10.330 0.00 0.00 +ATOM 16228 O WAT X4714 43.306 8.902 22.669 0.00 0.00 +ATOM 16229 H1 WAT X4714 44.039 9.069 22.077 0.00 0.00 +ATOM 16230 H2 WAT X4714 43.717 8.673 23.502 0.00 0.00 +ATOM 16231 O WAT X4715 48.634 13.361 14.882 0.00 0.00 +ATOM 16232 H1 WAT X4715 48.275 12.740 14.248 0.00 0.00 +ATOM 16233 H2 WAT X4715 49.301 12.863 15.354 0.00 0.00 +ATOM 16234 O WAT X4716 58.228 12.452 53.539 0.00 0.00 +ATOM 16235 H1 WAT X4716 58.188 11.500 53.632 0.00 0.00 +ATOM 16236 H2 WAT X4716 58.146 12.604 52.597 0.00 0.00 +ATOM 16237 O WAT X4717 60.167 5.696 34.406 0.00 0.00 +ATOM 16238 H1 WAT X4717 59.727 4.995 33.925 0.00 0.00 +ATOM 16239 H2 WAT X4717 60.235 5.366 35.302 0.00 0.00 +ATOM 16240 O WAT X4718 16.675 59.005 31.492 0.00 0.00 +ATOM 16241 H1 WAT X4718 17.197 58.241 31.248 0.00 0.00 +ATOM 16242 H2 WAT X4718 16.434 59.407 30.658 0.00 0.00 +ATOM 16243 O WAT X4719 9.498 21.277 4.454 0.00 0.00 +ATOM 16244 H1 WAT X4719 9.763 22.172 4.242 0.00 0.00 +ATOM 16245 H2 WAT X4719 9.381 20.854 3.604 0.00 0.00 +ATOM 16246 O WAT X4720 73.711 58.318 27.092 0.00 0.00 +ATOM 16247 H1 WAT X4720 73.729 59.243 26.846 0.00 0.00 +ATOM 16248 H2 WAT X4720 74.521 58.185 27.584 0.00 0.00 +ATOM 16249 O WAT X4721 1.457 38.860 49.840 0.00 0.00 +ATOM 16250 H1 WAT X4721 1.166 39.364 50.600 0.00 0.00 +ATOM 16251 H2 WAT X4721 2.227 38.383 50.150 0.00 0.00 +ATOM 16252 O WAT X4722 51.554 54.902 38.508 0.00 0.00 +ATOM 16253 H1 WAT X4722 52.505 54.861 38.412 0.00 0.00 +ATOM 16254 H2 WAT X4722 51.240 55.204 37.655 0.00 0.00 +ATOM 16255 O WAT X4723 66.257 40.963 30.885 0.00 0.00 +ATOM 16256 H1 WAT X4723 65.935 40.762 31.764 0.00 0.00 +ATOM 16257 H2 WAT X4723 66.068 40.175 30.375 0.00 0.00 +ATOM 16258 O WAT X4724 64.204 62.453 6.677 0.00 0.00 +ATOM 16259 H1 WAT X4724 64.999 62.952 6.863 0.00 0.00 +ATOM 16260 H2 WAT X4724 64.019 61.985 7.492 0.00 0.00 +ATOM 16261 O WAT X4725 68.081 53.068 39.450 0.00 0.00 +ATOM 16262 H1 WAT X4725 67.899 53.740 38.794 0.00 0.00 +ATOM 16263 H2 WAT X4725 69.036 53.055 39.521 0.00 0.00 +ATOM 16264 O WAT X4726 43.565 56.239 56.618 0.00 0.00 +ATOM 16265 H1 WAT X4726 43.838 57.096 56.289 0.00 0.00 +ATOM 16266 H2 WAT X4726 42.973 56.438 57.344 0.00 0.00 +ATOM 16267 O WAT X4727 11.686 26.880 5.335 0.00 0.00 +ATOM 16268 H1 WAT X4727 12.063 27.749 5.199 0.00 0.00 +ATOM 16269 H2 WAT X4727 11.240 26.681 4.511 0.00 0.00 +ATOM 16270 O WAT X4728 60.084 16.323 43.985 0.00 0.00 +ATOM 16271 H1 WAT X4728 60.701 16.939 44.379 0.00 0.00 +ATOM 16272 H2 WAT X4728 60.619 15.565 43.749 0.00 0.00 +ATOM 16273 O WAT X4729 3.959 34.301 49.851 0.00 0.00 +ATOM 16274 H1 WAT X4729 4.789 34.584 50.234 0.00 0.00 +ATOM 16275 H2 WAT X4729 4.026 33.347 49.810 0.00 0.00 +ATOM 16276 O WAT X4730 56.535 11.436 34.775 0.00 0.00 +ATOM 16277 H1 WAT X4730 56.071 10.912 35.428 0.00 0.00 +ATOM 16278 H2 WAT X4730 56.368 10.988 33.946 0.00 0.00 +ATOM 16279 O WAT X4731 26.472 10.020 44.756 0.00 0.00 +ATOM 16280 H1 WAT X4731 26.120 10.910 44.778 0.00 0.00 +ATOM 16281 H2 WAT X4731 27.086 10.023 44.022 0.00 0.00 +ATOM 16282 O WAT X4732 4.214 26.837 44.708 0.00 0.00 +ATOM 16283 H1 WAT X4732 4.726 26.321 44.085 0.00 0.00 +ATOM 16284 H2 WAT X4732 4.539 27.731 44.602 0.00 0.00 +ATOM 16285 O WAT X4733 38.503 32.937 48.519 0.00 0.00 +ATOM 16286 H1 WAT X4733 37.860 33.328 49.109 0.00 0.00 +ATOM 16287 H2 WAT X4733 38.625 33.590 47.830 0.00 0.00 +ATOM 16288 O WAT X4734 51.152 59.766 20.466 0.00 0.00 +ATOM 16289 H1 WAT X4734 51.155 60.541 19.905 0.00 0.00 +ATOM 16290 H2 WAT X4734 51.074 59.031 19.858 0.00 0.00 +ATOM 16291 O WAT X4735 53.600 61.242 51.554 0.00 0.00 +ATOM 16292 H1 WAT X4735 54.184 61.041 52.285 0.00 0.00 +ATOM 16293 H2 WAT X4735 52.887 60.609 51.636 0.00 0.00 +ATOM 16294 O WAT X4736 18.089 59.238 6.444 0.00 0.00 +ATOM 16295 H1 WAT X4736 17.276 58.747 6.322 0.00 0.00 +ATOM 16296 H2 WAT X4736 18.780 58.581 6.354 0.00 0.00 +ATOM 16297 O WAT X4737 48.594 17.461 2.606 0.00 0.00 +ATOM 16298 H1 WAT X4737 49.123 17.190 1.855 0.00 0.00 +ATOM 16299 H2 WAT X4737 48.324 18.355 2.398 0.00 0.00 +ATOM 16300 O WAT X4738 24.549 4.547 22.533 0.00 0.00 +ATOM 16301 H1 WAT X4738 24.336 3.739 22.999 0.00 0.00 +ATOM 16302 H2 WAT X4738 25.080 5.048 23.151 0.00 0.00 +ATOM 16303 O WAT X4739 72.427 18.244 1.787 0.00 0.00 +ATOM 16304 H1 WAT X4739 73.248 18.270 2.277 0.00 0.00 +ATOM 16305 H2 WAT X4739 71.770 17.983 2.433 0.00 0.00 +ATOM 16306 O WAT X4740 7.999 45.563 7.076 0.00 0.00 +ATOM 16307 H1 WAT X4740 7.928 45.355 6.144 0.00 0.00 +ATOM 16308 H2 WAT X4740 8.940 45.630 7.235 0.00 0.00 +ATOM 16309 O WAT X4741 53.004 8.250 39.867 0.00 0.00 +ATOM 16310 H1 WAT X4741 52.289 7.958 39.301 0.00 0.00 +ATOM 16311 H2 WAT X4741 53.063 7.577 40.544 0.00 0.00 +ATOM 16312 O WAT X4742 54.374 61.262 22.198 0.00 0.00 +ATOM 16313 H1 WAT X4742 55.283 61.491 22.003 0.00 0.00 +ATOM 16314 H2 WAT X4742 53.859 61.964 21.800 0.00 0.00 +ATOM 16315 O WAT X4743 36.163 57.320 29.767 0.00 0.00 +ATOM 16316 H1 WAT X4743 35.230 57.529 29.821 0.00 0.00 +ATOM 16317 H2 WAT X4743 36.569 57.862 30.443 0.00 0.00 +ATOM 16318 O WAT X4744 29.411 2.395 41.001 0.00 0.00 +ATOM 16319 H1 WAT X4744 29.216 1.749 41.681 0.00 0.00 +ATOM 16320 H2 WAT X4744 29.502 1.878 40.200 0.00 0.00 +ATOM 16321 O WAT X4745 42.560 10.888 40.381 0.00 0.00 +ATOM 16322 H1 WAT X4745 42.036 10.326 39.810 0.00 0.00 +ATOM 16323 H2 WAT X4745 42.273 11.777 40.170 0.00 0.00 +ATOM 16324 O WAT X4746 44.093 55.777 48.223 0.00 0.00 +ATOM 16325 H1 WAT X4746 44.311 56.668 47.951 0.00 0.00 +ATOM 16326 H2 WAT X4746 43.918 55.849 49.162 0.00 0.00 +ATOM 16327 O WAT X4747 37.598 3.177 15.200 0.00 0.00 +ATOM 16328 H1 WAT X4747 37.218 3.936 15.642 0.00 0.00 +ATOM 16329 H2 WAT X4747 37.270 2.424 15.692 0.00 0.00 +ATOM 16330 O WAT X4748 35.910 13.541 10.522 0.00 0.00 +ATOM 16331 H1 WAT X4748 35.885 13.163 11.401 0.00 0.00 +ATOM 16332 H2 WAT X4748 36.747 13.252 10.160 0.00 0.00 +ATOM 16333 O WAT X4749 26.664 35.029 3.694 0.00 0.00 +ATOM 16334 H1 WAT X4749 27.125 35.843 3.895 0.00 0.00 +ATOM 16335 H2 WAT X4749 26.115 34.869 4.462 0.00 0.00 +ATOM 16336 O WAT X4750 46.790 49.507 39.396 0.00 0.00 +ATOM 16337 H1 WAT X4750 46.903 49.923 38.541 0.00 0.00 +ATOM 16338 H2 WAT X4750 47.641 49.604 39.823 0.00 0.00 +ATOM 16339 O WAT X4751 51.053 6.629 2.411 0.00 0.00 +ATOM 16340 H1 WAT X4751 50.804 5.810 1.984 0.00 0.00 +ATOM 16341 H2 WAT X4751 51.581 7.089 1.759 0.00 0.00 +ATOM 16342 O WAT X4752 72.703 38.265 0.267 0.00 0.00 +ATOM 16343 H1 WAT X4752 72.833 37.424 -0.172 0.00 0.00 +ATOM 16344 H2 WAT X4752 72.012 38.095 0.909 0.00 0.00 +ATOM 16345 O WAT X4753 32.086 13.735 45.212 0.00 0.00 +ATOM 16346 H1 WAT X4753 31.554 13.009 44.884 0.00 0.00 +ATOM 16347 H2 WAT X4753 32.254 14.276 44.440 0.00 0.00 +ATOM 16348 O WAT X4754 38.818 17.762 24.679 0.00 0.00 +ATOM 16349 H1 WAT X4754 39.708 17.586 24.984 0.00 0.00 +ATOM 16350 H2 WAT X4754 38.264 17.204 25.224 0.00 0.00 +ATOM 16351 O WAT X4755 16.285 24.863 2.712 0.00 0.00 +ATOM 16352 H1 WAT X4755 15.689 25.600 2.844 0.00 0.00 +ATOM 16353 H2 WAT X4755 16.942 24.960 3.401 0.00 0.00 +ATOM 16354 O WAT X4756 42.561 8.661 41.844 0.00 0.00 +ATOM 16355 H1 WAT X4756 42.149 8.071 41.212 0.00 0.00 +ATOM 16356 H2 WAT X4756 42.578 9.510 41.403 0.00 0.00 +ATOM 16357 O WAT X4757 59.984 35.527 49.247 0.00 0.00 +ATOM 16358 H1 WAT X4757 59.518 34.829 48.786 0.00 0.00 +ATOM 16359 H2 WAT X4757 59.560 35.571 50.105 0.00 0.00 +ATOM 16360 O WAT X4758 72.480 56.443 40.000 0.00 0.00 +ATOM 16361 H1 WAT X4758 73.151 55.779 39.845 0.00 0.00 +ATOM 16362 H2 WAT X4758 71.653 55.990 39.834 0.00 0.00 +ATOM 16363 O WAT X4759 12.039 28.622 46.499 0.00 0.00 +ATOM 16364 H1 WAT X4759 11.482 28.560 47.275 0.00 0.00 +ATOM 16365 H2 WAT X4759 11.617 29.287 45.955 0.00 0.00 +ATOM 16366 O WAT X4760 21.090 10.275 21.683 0.00 0.00 +ATOM 16367 H1 WAT X4760 21.806 9.680 21.459 0.00 0.00 +ATOM 16368 H2 WAT X4760 20.357 9.983 21.141 0.00 0.00 +ATOM 16369 O WAT X4761 53.200 21.154 32.834 0.00 0.00 +ATOM 16370 H1 WAT X4761 53.258 20.665 33.654 0.00 0.00 +ATOM 16371 H2 WAT X4761 52.308 20.996 32.523 0.00 0.00 +ATOM 16372 O WAT X4762 23.538 12.066 38.144 0.00 0.00 +ATOM 16373 H1 WAT X4762 22.976 12.155 38.913 0.00 0.00 +ATOM 16374 H2 WAT X4762 23.911 11.187 38.220 0.00 0.00 +ATOM 16375 O WAT X4763 31.836 -0.038 17.938 0.00 0.00 +ATOM 16376 H1 WAT X4763 32.691 -0.036 18.368 0.00 0.00 +ATOM 16377 H2 WAT X4763 32.031 0.135 17.017 0.00 0.00 +ATOM 16378 O WAT X4764 12.806 27.676 31.416 0.00 0.00 +ATOM 16379 H1 WAT X4764 12.708 28.460 30.875 0.00 0.00 +ATOM 16380 H2 WAT X4764 13.641 27.298 31.140 0.00 0.00 +ATOM 16381 O WAT X4765 38.036 15.594 17.147 0.00 0.00 +ATOM 16382 H1 WAT X4765 38.002 15.405 16.210 0.00 0.00 +ATOM 16383 H2 WAT X4765 38.913 15.319 17.415 0.00 0.00 +ATOM 16384 O WAT X4766 52.943 2.662 51.457 0.00 0.00 +ATOM 16385 H1 WAT X4766 52.056 2.417 51.722 0.00 0.00 +ATOM 16386 H2 WAT X4766 52.817 3.379 50.835 0.00 0.00 +ATOM 16387 O WAT X4767 33.406 17.544 52.229 0.00 0.00 +ATOM 16388 H1 WAT X4767 32.453 17.485 52.298 0.00 0.00 +ATOM 16389 H2 WAT X4767 33.571 17.679 51.296 0.00 0.00 +ATOM 16390 O WAT X4768 68.034 20.411 43.480 0.00 0.00 +ATOM 16391 H1 WAT X4768 67.375 19.808 43.137 0.00 0.00 +ATOM 16392 H2 WAT X4768 68.751 19.844 43.766 0.00 0.00 +ATOM 16393 O WAT X4769 34.727 1.295 52.015 0.00 0.00 +ATOM 16394 H1 WAT X4769 34.203 1.908 52.531 0.00 0.00 +ATOM 16395 H2 WAT X4769 35.617 1.644 52.061 0.00 0.00 +ATOM 16396 O WAT X4770 23.677 57.193 30.901 0.00 0.00 +ATOM 16397 H1 WAT X4770 24.300 57.916 30.979 0.00 0.00 +ATOM 16398 H2 WAT X4770 24.151 56.520 30.412 0.00 0.00 +ATOM 16399 O WAT X4771 26.578 17.308 18.103 0.00 0.00 +ATOM 16400 H1 WAT X4771 25.920 17.997 18.013 0.00 0.00 +ATOM 16401 H2 WAT X4771 26.606 16.889 17.243 0.00 0.00 +ATOM 16402 O WAT X4772 72.353 22.183 37.178 0.00 0.00 +ATOM 16403 H1 WAT X4772 72.899 21.403 37.078 0.00 0.00 +ATOM 16404 H2 WAT X4772 71.853 22.025 37.979 0.00 0.00 +ATOM 16405 O WAT X4773 16.124 11.962 35.127 0.00 0.00 +ATOM 16406 H1 WAT X4773 16.272 11.036 34.938 0.00 0.00 +ATOM 16407 H2 WAT X4773 17.000 12.349 35.128 0.00 0.00 +ATOM 16408 O WAT X4774 54.788 14.422 29.273 0.00 0.00 +ATOM 16409 H1 WAT X4774 54.691 14.417 28.321 0.00 0.00 +ATOM 16410 H2 WAT X4774 55.678 14.106 29.425 0.00 0.00 +ATOM 16411 O WAT X4775 37.542 51.753 15.669 0.00 0.00 +ATOM 16412 H1 WAT X4775 36.836 52.040 16.249 0.00 0.00 +ATOM 16413 H2 WAT X4775 37.337 50.837 15.478 0.00 0.00 +ATOM 16414 O WAT X4776 10.905 14.386 26.678 0.00 0.00 +ATOM 16415 H1 WAT X4776 10.274 14.933 26.211 0.00 0.00 +ATOM 16416 H2 WAT X4776 11.614 14.986 26.914 0.00 0.00 +ATOM 16417 O WAT X4777 25.258 39.274 7.259 0.00 0.00 +ATOM 16418 H1 WAT X4777 24.336 39.490 7.401 0.00 0.00 +ATOM 16419 H2 WAT X4777 25.374 39.334 6.311 0.00 0.00 +ATOM 16420 O WAT X4778 57.722 30.635 54.925 0.00 0.00 +ATOM 16421 H1 WAT X4778 58.269 31.363 54.630 0.00 0.00 +ATOM 16422 H2 WAT X4778 57.525 30.839 55.839 0.00 0.00 +ATOM 16423 O WAT X4779 35.295 50.401 39.278 0.00 0.00 +ATOM 16424 H1 WAT X4779 34.978 50.185 38.400 0.00 0.00 +ATOM 16425 H2 WAT X4779 34.769 51.155 39.543 0.00 0.00 +ATOM 16426 O WAT X4780 54.765 24.540 20.276 0.00 0.00 +ATOM 16427 H1 WAT X4780 55.065 23.724 20.676 0.00 0.00 +ATOM 16428 H2 WAT X4780 54.295 24.262 19.489 0.00 0.00 +ATOM 16429 O WAT X4781 33.381 19.679 16.889 0.00 0.00 +ATOM 16430 H1 WAT X4781 33.792 20.121 17.632 0.00 0.00 +ATOM 16431 H2 WAT X4781 33.709 18.781 16.934 0.00 0.00 +ATOM 16432 O WAT X4782 35.790 41.100 49.844 0.00 0.00 +ATOM 16433 H1 WAT X4782 35.892 40.453 50.542 0.00 0.00 +ATOM 16434 H2 WAT X4782 34.848 41.264 49.806 0.00 0.00 +ATOM 16435 O WAT X4783 13.932 60.476 29.139 0.00 0.00 +ATOM 16436 H1 WAT X4783 14.508 59.979 28.558 0.00 0.00 +ATOM 16437 H2 WAT X4783 13.106 59.992 29.127 0.00 0.00 +ATOM 16438 O WAT X4784 49.086 17.977 14.432 0.00 0.00 +ATOM 16439 H1 WAT X4784 48.487 17.576 15.061 0.00 0.00 +ATOM 16440 H2 WAT X4784 49.707 17.282 14.215 0.00 0.00 +ATOM 16441 O WAT X4785 63.769 1.995 43.242 0.00 0.00 +ATOM 16442 H1 WAT X4785 63.096 2.225 43.882 0.00 0.00 +ATOM 16443 H2 WAT X4785 63.779 1.038 43.238 0.00 0.00 +ATOM 16444 O WAT X4786 50.085 32.554 17.450 0.00 0.00 +ATOM 16445 H1 WAT X4786 50.424 32.481 16.557 0.00 0.00 +ATOM 16446 H2 WAT X4786 49.617 33.389 17.461 0.00 0.00 +ATOM 16447 O WAT X4787 11.147 44.936 10.581 0.00 0.00 +ATOM 16448 H1 WAT X4787 10.394 44.347 10.538 0.00 0.00 +ATOM 16449 H2 WAT X4787 11.687 44.690 9.829 0.00 0.00 +ATOM 16450 O WAT X4788 75.567 42.672 42.096 0.00 0.00 +ATOM 16451 H1 WAT X4788 75.240 41.773 42.060 0.00 0.00 +ATOM 16452 H2 WAT X4788 76.508 42.591 41.943 0.00 0.00 +ATOM 16453 O WAT X4789 41.928 21.469 25.480 0.00 0.00 +ATOM 16454 H1 WAT X4789 42.684 21.372 24.901 0.00 0.00 +ATOM 16455 H2 WAT X4789 41.582 22.339 25.279 0.00 0.00 +ATOM 16456 O WAT X4790 46.685 54.500 47.076 0.00 0.00 +ATOM 16457 H1 WAT X4790 45.909 54.652 47.615 0.00 0.00 +ATOM 16458 H2 WAT X4790 47.180 55.318 47.133 0.00 0.00 +ATOM 16459 O WAT X4791 33.706 51.361 29.043 0.00 0.00 +ATOM 16460 H1 WAT X4791 32.811 51.281 29.373 0.00 0.00 +ATOM 16461 H2 WAT X4791 33.708 50.853 28.232 0.00 0.00 +ATOM 16462 O WAT X4792 40.621 11.939 2.941 0.00 0.00 +ATOM 16463 H1 WAT X4792 41.419 12.333 2.589 0.00 0.00 +ATOM 16464 H2 WAT X4792 39.917 12.515 2.641 0.00 0.00 +ATOM 16465 O WAT X4793 54.576 13.467 20.482 0.00 0.00 +ATOM 16466 H1 WAT X4793 54.585 13.159 21.388 0.00 0.00 +ATOM 16467 H2 WAT X4793 55.040 14.304 20.508 0.00 0.00 +ATOM 16468 O WAT X4794 27.128 2.928 10.361 0.00 0.00 +ATOM 16469 H1 WAT X4794 27.823 3.131 9.735 0.00 0.00 +ATOM 16470 H2 WAT X4794 26.619 2.236 9.939 0.00 0.00 +ATOM 16471 O WAT X4795 52.275 16.018 56.859 0.00 0.00 +ATOM 16472 H1 WAT X4795 52.617 15.269 56.372 0.00 0.00 +ATOM 16473 H2 WAT X4795 52.992 16.652 56.859 0.00 0.00 +ATOM 16474 O WAT X4796 20.483 4.855 50.848 0.00 0.00 +ATOM 16475 H1 WAT X4796 19.678 5.266 50.534 0.00 0.00 +ATOM 16476 H2 WAT X4796 20.228 4.415 51.659 0.00 0.00 +ATOM 16477 O WAT X4797 75.731 55.073 17.437 0.00 0.00 +ATOM 16478 H1 WAT X4797 76.549 54.700 17.765 0.00 0.00 +ATOM 16479 H2 WAT X4797 75.699 55.951 17.818 0.00 0.00 +ATOM 16480 O WAT X4798 22.090 46.375 16.900 0.00 0.00 +ATOM 16481 H1 WAT X4798 22.614 47.162 17.050 0.00 0.00 +ATOM 16482 H2 WAT X4798 21.874 46.061 17.778 0.00 0.00 +ATOM 16483 O WAT X4799 40.847 14.730 16.373 0.00 0.00 +ATOM 16484 H1 WAT X4799 41.654 14.245 16.540 0.00 0.00 +ATOM 16485 H2 WAT X4799 41.140 15.567 16.013 0.00 0.00 +ATOM 16486 O WAT X4800 35.043 57.533 53.520 0.00 0.00 +ATOM 16487 H1 WAT X4800 34.969 56.604 53.739 0.00 0.00 +ATOM 16488 H2 WAT X4800 34.760 57.587 52.608 0.00 0.00 +ATOM 16489 O WAT X4801 68.931 12.824 56.785 0.00 0.00 +ATOM 16490 H1 WAT X4801 69.393 13.580 57.148 0.00 0.00 +ATOM 16491 H2 WAT X4801 68.170 12.712 57.356 0.00 0.00 +ATOM 16492 O WAT X4802 5.579 9.545 1.630 0.00 0.00 +ATOM 16493 H1 WAT X4802 5.137 10.323 1.969 0.00 0.00 +ATOM 16494 H2 WAT X4802 5.257 9.459 0.732 0.00 0.00 +ATOM 16495 O WAT X4803 47.232 33.544 5.857 0.00 0.00 +ATOM 16496 H1 WAT X4803 47.499 32.699 5.495 0.00 0.00 +ATOM 16497 H2 WAT X4803 48.050 33.952 6.141 0.00 0.00 +ATOM 16498 O WAT X4804 47.635 56.994 49.827 0.00 0.00 +ATOM 16499 H1 WAT X4804 46.813 57.458 49.665 0.00 0.00 +ATOM 16500 H2 WAT X4804 48.306 57.550 49.430 0.00 0.00 +ATOM 16501 O WAT X4805 35.127 11.613 43.156 0.00 0.00 +ATOM 16502 H1 WAT X4805 35.132 12.030 44.018 0.00 0.00 +ATOM 16503 H2 WAT X4805 34.252 11.790 42.810 0.00 0.00 +ATOM 16504 O WAT X4806 39.905 32.234 17.337 0.00 0.00 +ATOM 16505 H1 WAT X4806 39.555 33.000 16.883 0.00 0.00 +ATOM 16506 H2 WAT X4806 39.177 31.612 17.357 0.00 0.00 +ATOM 16507 O WAT X4807 62.450 37.983 52.031 0.00 0.00 +ATOM 16508 H1 WAT X4807 61.918 38.342 52.740 0.00 0.00 +ATOM 16509 H2 WAT X4807 62.594 38.723 51.441 0.00 0.00 +ATOM 16510 O WAT X4808 12.075 6.494 29.356 0.00 0.00 +ATOM 16511 H1 WAT X4808 11.405 6.801 29.967 0.00 0.00 +ATOM 16512 H2 WAT X4808 12.323 7.276 28.861 0.00 0.00 +ATOM 16513 O WAT X4809 11.452 12.290 5.350 0.00 0.00 +ATOM 16514 H1 WAT X4809 10.672 12.783 5.608 0.00 0.00 +ATOM 16515 H2 WAT X4809 12.184 12.834 5.639 0.00 0.00 +ATOM 16516 O WAT X4810 15.461 40.631 6.320 0.00 0.00 +ATOM 16517 H1 WAT X4810 15.023 40.123 5.637 0.00 0.00 +ATOM 16518 H2 WAT X4810 14.772 40.824 6.955 0.00 0.00 +ATOM 16519 O WAT X4811 46.849 16.857 16.274 0.00 0.00 +ATOM 16520 H1 WAT X4811 46.408 17.613 15.887 0.00 0.00 +ATOM 16521 H2 WAT X4811 46.401 16.100 15.897 0.00 0.00 +ATOM 16522 O WAT X4812 31.193 46.439 57.818 0.00 0.00 +ATOM 16523 H1 WAT X4812 31.881 46.539 58.476 0.00 0.00 +ATOM 16524 H2 WAT X4812 30.520 47.068 58.077 0.00 0.00 +ATOM 16525 O WAT X4813 61.762 28.502 16.051 0.00 0.00 +ATOM 16526 H1 WAT X4813 62.317 27.726 16.135 0.00 0.00 +ATOM 16527 H2 WAT X4813 62.072 29.094 16.736 0.00 0.00 +ATOM 16528 O WAT X4814 59.583 4.742 17.244 0.00 0.00 +ATOM 16529 H1 WAT X4814 60.512 4.754 17.473 0.00 0.00 +ATOM 16530 H2 WAT X4814 59.140 4.496 18.056 0.00 0.00 +ATOM 16531 O WAT X4815 42.082 10.951 24.162 0.00 0.00 +ATOM 16532 H1 WAT X4815 42.610 10.893 24.958 0.00 0.00 +ATOM 16533 H2 WAT X4815 42.341 10.187 23.647 0.00 0.00 +ATOM 16534 O WAT X4816 45.307 24.635 15.362 0.00 0.00 +ATOM 16535 H1 WAT X4816 46.172 24.310 15.611 0.00 0.00 +ATOM 16536 H2 WAT X4816 44.933 23.937 14.825 0.00 0.00 +ATOM 16537 O WAT X4817 32.656 15.719 56.368 0.00 0.00 +ATOM 16538 H1 WAT X4817 31.745 15.689 56.077 0.00 0.00 +ATOM 16539 H2 WAT X4817 32.825 14.842 56.713 0.00 0.00 +ATOM 16540 O WAT X4818 2.124 0.508 23.436 0.00 0.00 +ATOM 16541 H1 WAT X4818 1.883 1.136 24.118 0.00 0.00 +ATOM 16542 H2 WAT X4818 2.697 -0.117 23.880 0.00 0.00 +ATOM 16543 O WAT X4819 44.102 57.222 3.035 0.00 0.00 +ATOM 16544 H1 WAT X4819 43.433 57.806 2.679 0.00 0.00 +ATOM 16545 H2 WAT X4819 44.019 57.312 3.985 0.00 0.00 +ATOM 16546 O WAT X4820 57.901 47.651 15.052 0.00 0.00 +ATOM 16547 H1 WAT X4820 58.734 47.537 15.511 0.00 0.00 +ATOM 16548 H2 WAT X4820 57.713 48.587 15.128 0.00 0.00 +ATOM 16549 O WAT X4821 46.734 46.229 33.566 0.00 0.00 +ATOM 16550 H1 WAT X4821 46.851 46.946 32.942 0.00 0.00 +ATOM 16551 H2 WAT X4821 45.826 45.953 33.445 0.00 0.00 +ATOM 16552 O WAT X4822 51.279 39.843 48.573 0.00 0.00 +ATOM 16553 H1 WAT X4822 51.800 39.395 49.239 0.00 0.00 +ATOM 16554 H2 WAT X4822 50.986 39.145 47.988 0.00 0.00 +ATOM 16555 O WAT X4823 57.289 56.148 56.092 0.00 0.00 +ATOM 16556 H1 WAT X4823 57.351 55.327 56.581 0.00 0.00 +ATOM 16557 H2 WAT X4823 58.083 56.627 56.327 0.00 0.00 +ATOM 16558 O WAT X4824 50.136 20.246 13.827 0.00 0.00 +ATOM 16559 H1 WAT X4824 49.458 19.586 13.972 0.00 0.00 +ATOM 16560 H2 WAT X4824 50.003 20.532 12.924 0.00 0.00 +ATOM 16561 O WAT X4825 21.855 26.898 49.244 0.00 0.00 +ATOM 16562 H1 WAT X4825 21.957 26.727 50.180 0.00 0.00 +ATOM 16563 H2 WAT X4825 21.327 27.695 49.201 0.00 0.00 +ATOM 16564 O WAT X4826 1.150 54.342 8.738 0.00 0.00 +ATOM 16565 H1 WAT X4826 0.832 55.050 9.299 0.00 0.00 +ATOM 16566 H2 WAT X4826 0.432 54.182 8.126 0.00 0.00 +ATOM 16567 O WAT X4827 53.723 56.179 6.726 0.00 0.00 +ATOM 16568 H1 WAT X4827 53.109 56.911 6.789 0.00 0.00 +ATOM 16569 H2 WAT X4827 54.552 56.534 7.046 0.00 0.00 +ATOM 16570 O WAT X4828 51.240 49.403 52.569 0.00 0.00 +ATOM 16571 H1 WAT X4828 51.762 49.970 53.137 0.00 0.00 +ATOM 16572 H2 WAT X4828 51.334 48.530 52.950 0.00 0.00 +ATOM 16573 O WAT X4829 13.960 51.626 36.563 0.00 0.00 +ATOM 16574 H1 WAT X4829 13.643 51.114 37.306 0.00 0.00 +ATOM 16575 H2 WAT X4829 13.184 52.082 36.237 0.00 0.00 +ATOM 16576 O WAT X4830 34.259 55.936 50.938 0.00 0.00 +ATOM 16577 H1 WAT X4830 34.491 55.109 50.515 0.00 0.00 +ATOM 16578 H2 WAT X4830 35.087 56.412 51.004 0.00 0.00 +ATOM 16579 O WAT X4831 43.323 43.711 1.656 0.00 0.00 +ATOM 16580 H1 WAT X4831 42.698 43.929 2.348 0.00 0.00 +ATOM 16581 H2 WAT X4831 42.846 43.111 1.083 0.00 0.00 +ATOM 16582 O WAT X4832 18.009 32.898 44.428 0.00 0.00 +ATOM 16583 H1 WAT X4832 18.300 32.445 43.637 0.00 0.00 +ATOM 16584 H2 WAT X4832 17.732 32.196 45.017 0.00 0.00 +ATOM 16585 O WAT X4833 20.548 53.172 47.455 0.00 0.00 +ATOM 16586 H1 WAT X4833 20.687 53.256 48.398 0.00 0.00 +ATOM 16587 H2 WAT X4833 21.428 53.208 47.079 0.00 0.00 +ATOM 16588 O WAT X4834 69.150 3.035 28.442 0.00 0.00 +ATOM 16589 H1 WAT X4834 68.549 3.379 27.781 0.00 0.00 +ATOM 16590 H2 WAT X4834 69.400 2.172 28.112 0.00 0.00 +ATOM 16591 O WAT X4835 64.084 40.739 4.220 0.00 0.00 +ATOM 16592 H1 WAT X4835 63.543 39.989 3.974 0.00 0.00 +ATOM 16593 H2 WAT X4835 63.549 41.225 4.847 0.00 0.00 +ATOM 16594 O WAT X4836 60.089 61.174 51.001 0.00 0.00 +ATOM 16595 H1 WAT X4836 60.640 61.435 51.738 0.00 0.00 +ATOM 16596 H2 WAT X4836 60.699 60.790 50.371 0.00 0.00 +ATOM 16597 O WAT X4837 18.847 59.895 42.164 0.00 0.00 +ATOM 16598 H1 WAT X4837 19.716 59.521 42.017 0.00 0.00 +ATOM 16599 H2 WAT X4837 18.598 60.262 41.316 0.00 0.00 +ATOM 16600 O WAT X4838 46.759 7.049 21.059 0.00 0.00 +ATOM 16601 H1 WAT X4838 47.195 6.234 21.309 0.00 0.00 +ATOM 16602 H2 WAT X4838 46.390 6.868 20.195 0.00 0.00 +ATOM 16603 O WAT X4839 11.440 21.052 19.596 0.00 0.00 +ATOM 16604 H1 WAT X4839 11.981 21.831 19.730 0.00 0.00 +ATOM 16605 H2 WAT X4839 11.766 20.421 20.238 0.00 0.00 +ATOM 16606 O WAT X4840 54.206 41.122 16.114 0.00 0.00 +ATOM 16607 H1 WAT X4840 55.097 41.462 16.032 0.00 0.00 +ATOM 16608 H2 WAT X4840 54.289 40.186 15.932 0.00 0.00 +ATOM 16609 O WAT X4841 13.625 29.712 10.429 0.00 0.00 +ATOM 16610 H1 WAT X4841 12.930 30.297 10.731 0.00 0.00 +ATOM 16611 H2 WAT X4841 14.285 30.297 10.055 0.00 0.00 +ATOM 16612 O WAT X4842 27.107 24.765 55.967 0.00 0.00 +ATOM 16613 H1 WAT X4842 26.734 25.573 56.322 0.00 0.00 +ATOM 16614 H2 WAT X4842 28.042 24.828 56.160 0.00 0.00 +ATOM 16615 O WAT X4843 14.163 26.035 41.430 0.00 0.00 +ATOM 16616 H1 WAT X4843 13.216 26.050 41.569 0.00 0.00 +ATOM 16617 H2 WAT X4843 14.278 25.557 40.609 0.00 0.00 +ATOM 16618 O WAT X4844 38.204 19.400 43.372 0.00 0.00 +ATOM 16619 H1 WAT X4844 38.943 19.248 42.783 0.00 0.00 +ATOM 16620 H2 WAT X4844 37.482 18.906 42.983 0.00 0.00 +ATOM 16621 O WAT X4845 31.798 50.399 52.919 0.00 0.00 +ATOM 16622 H1 WAT X4845 31.047 50.835 53.321 0.00 0.00 +ATOM 16623 H2 WAT X4845 31.727 50.611 51.988 0.00 0.00 +ATOM 16624 O WAT X4846 58.020 11.404 9.850 0.00 0.00 +ATOM 16625 H1 WAT X4846 57.657 12.290 9.854 0.00 0.00 +ATOM 16626 H2 WAT X4846 58.947 11.526 9.646 0.00 0.00 +ATOM 16627 O WAT X4847 60.622 18.739 1.725 0.00 0.00 +ATOM 16628 H1 WAT X4847 61.515 18.995 1.498 0.00 0.00 +ATOM 16629 H2 WAT X4847 60.070 19.403 1.313 0.00 0.00 +ATOM 16630 O WAT X4848 24.137 44.529 9.253 0.00 0.00 +ATOM 16631 H1 WAT X4848 24.249 44.126 10.114 0.00 0.00 +ATOM 16632 H2 WAT X4848 23.197 44.470 9.081 0.00 0.00 +ATOM 16633 O WAT X4849 34.633 22.968 36.529 0.00 0.00 +ATOM 16634 H1 WAT X4849 35.547 22.698 36.617 0.00 0.00 +ATOM 16635 H2 WAT X4849 34.135 22.275 36.963 0.00 0.00 +ATOM 16636 O WAT X4850 50.008 46.228 49.503 0.00 0.00 +ATOM 16637 H1 WAT X4850 49.455 46.604 50.188 0.00 0.00 +ATOM 16638 H2 WAT X4850 50.862 46.643 49.629 0.00 0.00 +ATOM 16639 O WAT X4851 3.673 59.914 26.850 0.00 0.00 +ATOM 16640 H1 WAT X4851 3.762 60.493 27.607 0.00 0.00 +ATOM 16641 H2 WAT X4851 2.941 59.339 27.073 0.00 0.00 +ATOM 16642 O WAT X4852 34.081 14.872 51.670 0.00 0.00 +ATOM 16643 H1 WAT X4852 33.302 14.698 51.141 0.00 0.00 +ATOM 16644 H2 WAT X4852 33.946 15.756 52.011 0.00 0.00 +ATOM 16645 O WAT X4853 26.953 45.174 12.354 0.00 0.00 +ATOM 16646 H1 WAT X4853 27.402 44.959 11.536 0.00 0.00 +ATOM 16647 H2 WAT X4853 26.128 44.691 12.308 0.00 0.00 +ATOM 16648 O WAT X4854 69.504 49.573 29.544 0.00 0.00 +ATOM 16649 H1 WAT X4854 70.169 49.815 28.900 0.00 0.00 +ATOM 16650 H2 WAT X4854 69.605 48.627 29.648 0.00 0.00 +ATOM 16651 O WAT X4855 62.606 25.695 7.743 0.00 0.00 +ATOM 16652 H1 WAT X4855 62.587 25.084 8.480 0.00 0.00 +ATOM 16653 H2 WAT X4855 62.119 25.249 7.050 0.00 0.00 +ATOM 16654 O WAT X4856 12.805 26.928 53.992 0.00 0.00 +ATOM 16655 H1 WAT X4856 13.661 26.664 54.329 0.00 0.00 +ATOM 16656 H2 WAT X4856 12.999 27.361 53.160 0.00 0.00 +ATOM 16657 O WAT X4857 12.555 53.419 6.778 0.00 0.00 +ATOM 16658 H1 WAT X4857 12.895 52.745 7.366 0.00 0.00 +ATOM 16659 H2 WAT X4857 12.911 53.190 5.919 0.00 0.00 +ATOM 16660 O WAT X4858 76.236 3.195 31.205 0.00 0.00 +ATOM 16661 H1 WAT X4858 77.059 3.461 30.795 0.00 0.00 +ATOM 16662 H2 WAT X4858 75.683 3.975 31.159 0.00 0.00 +ATOM 16663 O WAT X4859 70.133 5.982 31.927 0.00 0.00 +ATOM 16664 H1 WAT X4859 71.063 6.090 32.127 0.00 0.00 +ATOM 16665 H2 WAT X4859 69.711 6.741 32.330 0.00 0.00 +ATOM 16666 O WAT X4860 43.973 28.794 5.212 0.00 0.00 +ATOM 16667 H1 WAT X4860 43.284 28.144 5.073 0.00 0.00 +ATOM 16668 H2 WAT X4860 43.703 29.265 6.001 0.00 0.00 +ATOM 16669 O WAT X4861 51.209 32.867 4.213 0.00 0.00 +ATOM 16670 H1 WAT X4861 52.120 33.083 4.015 0.00 0.00 +ATOM 16671 H2 WAT X4861 50.742 33.698 4.127 0.00 0.00 +ATOM 16672 O WAT X4862 29.435 42.775 50.421 0.00 0.00 +ATOM 16673 H1 WAT X4862 28.878 42.051 50.707 0.00 0.00 +ATOM 16674 H2 WAT X4862 30.207 42.350 50.047 0.00 0.00 +ATOM 16675 O WAT X4863 10.128 22.881 2.536 0.00 0.00 +ATOM 16676 H1 WAT X4863 10.119 23.247 1.652 0.00 0.00 +ATOM 16677 H2 WAT X4863 10.218 23.643 3.109 0.00 0.00 +ATOM 16678 O WAT X4864 29.930 55.881 49.838 0.00 0.00 +ATOM 16679 H1 WAT X4864 30.559 56.359 49.298 0.00 0.00 +ATOM 16680 H2 WAT X4864 30.199 56.063 50.738 0.00 0.00 +ATOM 16681 O WAT X4865 19.994 12.713 6.902 0.00 0.00 +ATOM 16682 H1 WAT X4865 20.065 12.972 5.983 0.00 0.00 +ATOM 16683 H2 WAT X4865 20.845 12.327 7.108 0.00 0.00 +ATOM 16684 O WAT X4866 71.848 55.856 36.572 0.00 0.00 +ATOM 16685 H1 WAT X4866 71.077 56.322 36.248 0.00 0.00 +ATOM 16686 H2 WAT X4866 72.243 56.457 37.204 0.00 0.00 +ATOM 16687 O WAT X4867 36.602 16.378 48.025 0.00 0.00 +ATOM 16688 H1 WAT X4867 36.094 17.061 48.462 0.00 0.00 +ATOM 16689 H2 WAT X4867 36.343 16.439 47.105 0.00 0.00 +ATOM 16690 O WAT X4868 60.741 43.228 35.664 0.00 0.00 +ATOM 16691 H1 WAT X4868 60.113 42.749 36.205 0.00 0.00 +ATOM 16692 H2 WAT X4868 60.236 43.953 35.295 0.00 0.00 +ATOM 16693 O WAT X4869 77.655 44.555 43.681 0.00 0.00 +ATOM 16694 H1 WAT X4869 77.907 45.391 43.288 0.00 0.00 +ATOM 16695 H2 WAT X4869 76.758 44.694 43.986 0.00 0.00 +ATOM 16696 O WAT X4870 45.842 44.432 10.815 0.00 0.00 +ATOM 16697 H1 WAT X4870 45.584 45.152 11.391 0.00 0.00 +ATOM 16698 H2 WAT X4870 46.799 44.434 10.843 0.00 0.00 +ATOM 16699 O WAT X4871 19.092 25.338 0.550 0.00 0.00 +ATOM 16700 H1 WAT X4871 18.703 25.049 1.375 0.00 0.00 +ATOM 16701 H2 WAT X4871 19.565 26.139 0.776 0.00 0.00 +ATOM 16702 O WAT X4872 35.822 26.602 22.323 0.00 0.00 +ATOM 16703 H1 WAT X4872 35.965 26.717 23.263 0.00 0.00 +ATOM 16704 H2 WAT X4872 35.365 25.764 22.252 0.00 0.00 +ATOM 16705 O WAT X4873 29.210 17.957 57.034 0.00 0.00 +ATOM 16706 H1 WAT X4873 28.591 18.668 56.868 0.00 0.00 +ATOM 16707 H2 WAT X4873 28.666 17.235 57.349 0.00 0.00 +ATOM 16708 O WAT X4874 51.294 57.930 15.240 0.00 0.00 +ATOM 16709 H1 WAT X4874 51.278 57.627 14.332 0.00 0.00 +ATOM 16710 H2 WAT X4874 52.219 57.899 15.486 0.00 0.00 +ATOM 16711 O WAT X4875 75.945 34.277 20.036 0.00 0.00 +ATOM 16712 H1 WAT X4875 75.140 34.326 19.521 0.00 0.00 +ATOM 16713 H2 WAT X4875 76.492 34.984 19.692 0.00 0.00 +ATOM 16714 O WAT X4876 50.670 59.179 33.325 0.00 0.00 +ATOM 16715 H1 WAT X4876 50.119 59.261 34.103 0.00 0.00 +ATOM 16716 H2 WAT X4876 50.323 58.414 32.866 0.00 0.00 +ATOM 16717 O WAT X4877 60.357 35.272 46.109 0.00 0.00 +ATOM 16718 H1 WAT X4877 61.073 34.736 45.768 0.00 0.00 +ATOM 16719 H2 WAT X4877 59.981 34.748 46.817 0.00 0.00 +ATOM 16720 O WAT X4878 17.641 9.375 41.947 0.00 0.00 +ATOM 16721 H1 WAT X4878 18.363 9.081 41.393 0.00 0.00 +ATOM 16722 H2 WAT X4878 17.910 9.142 42.836 0.00 0.00 +ATOM 16723 O WAT X4879 63.972 12.523 32.454 0.00 0.00 +ATOM 16724 H1 WAT X4879 63.897 12.914 33.325 0.00 0.00 +ATOM 16725 H2 WAT X4879 63.673 11.622 32.569 0.00 0.00 +ATOM 16726 O WAT X4880 60.395 44.747 14.629 0.00 0.00 +ATOM 16727 H1 WAT X4880 61.072 44.697 15.304 0.00 0.00 +ATOM 16728 H2 WAT X4880 60.246 45.685 14.508 0.00 0.00 +ATOM 16729 O WAT X4881 32.595 8.676 26.776 0.00 0.00 +ATOM 16730 H1 WAT X4881 33.176 8.631 27.536 0.00 0.00 +ATOM 16731 H2 WAT X4881 31.879 9.247 27.055 0.00 0.00 +ATOM 16732 O WAT X4882 35.785 47.979 40.959 0.00 0.00 +ATOM 16733 H1 WAT X4882 35.581 48.797 40.505 0.00 0.00 +ATOM 16734 H2 WAT X4882 36.519 47.609 40.468 0.00 0.00 +ATOM 16735 O WAT X4883 14.320 21.794 14.359 0.00 0.00 +ATOM 16736 H1 WAT X4883 14.048 21.237 15.089 0.00 0.00 +ATOM 16737 H2 WAT X4883 15.176 21.452 14.103 0.00 0.00 +ATOM 16738 O WAT X4884 20.725 47.532 44.869 0.00 0.00 +ATOM 16739 H1 WAT X4884 20.250 48.187 44.357 0.00 0.00 +ATOM 16740 H2 WAT X4884 20.154 47.352 45.616 0.00 0.00 +ATOM 16741 O WAT X4885 45.399 27.759 1.920 0.00 0.00 +ATOM 16742 H1 WAT X4885 44.800 28.498 1.815 0.00 0.00 +ATOM 16743 H2 WAT X4885 45.957 28.006 2.657 0.00 0.00 +ATOM 16744 O WAT X4886 11.490 19.817 40.286 0.00 0.00 +ATOM 16745 H1 WAT X4886 11.719 19.102 40.880 0.00 0.00 +ATOM 16746 H2 WAT X4886 10.534 19.857 40.317 0.00 0.00 +ATOM 16747 O WAT X4887 18.808 5.071 3.803 0.00 0.00 +ATOM 16748 H1 WAT X4887 19.522 4.443 3.915 0.00 0.00 +ATOM 16749 H2 WAT X4887 18.317 5.024 4.624 0.00 0.00 +ATOM 16750 O WAT X4888 28.369 38.548 35.333 0.00 0.00 +ATOM 16751 H1 WAT X4888 27.948 39.392 35.495 0.00 0.00 +ATOM 16752 H2 WAT X4888 27.857 38.158 34.624 0.00 0.00 +ATOM 16753 O WAT X4889 42.544 32.939 44.290 0.00 0.00 +ATOM 16754 H1 WAT X4889 43.486 33.029 44.145 0.00 0.00 +ATOM 16755 H2 WAT X4889 42.254 33.817 44.536 0.00 0.00 +ATOM 16756 O WAT X4890 18.040 1.588 36.813 0.00 0.00 +ATOM 16757 H1 WAT X4890 18.920 1.629 37.187 0.00 0.00 +ATOM 16758 H2 WAT X4890 17.700 0.738 37.093 0.00 0.00 +ATOM 16759 O WAT X4891 66.339 41.219 58.511 0.00 0.00 +ATOM 16760 H1 WAT X4891 65.553 41.727 58.311 0.00 0.00 +ATOM 16761 H2 WAT X4891 66.549 40.769 57.693 0.00 0.00 +ATOM 16762 O WAT X4892 68.599 38.607 18.739 0.00 0.00 +ATOM 16763 H1 WAT X4892 68.368 39.226 19.430 0.00 0.00 +ATOM 16764 H2 WAT X4892 68.772 39.155 17.974 0.00 0.00 +ATOM 16765 O WAT X4893 7.792 11.217 12.461 0.00 0.00 +ATOM 16766 H1 WAT X4893 8.644 11.603 12.257 0.00 0.00 +ATOM 16767 H2 WAT X4893 7.245 11.433 11.706 0.00 0.00 +ATOM 16768 O WAT X4894 63.019 4.884 56.357 0.00 0.00 +ATOM 16769 H1 WAT X4894 62.512 4.551 57.097 0.00 0.00 +ATOM 16770 H2 WAT X4894 63.601 5.540 56.742 0.00 0.00 +ATOM 16771 O WAT X4895 12.300 21.271 2.941 0.00 0.00 +ATOM 16772 H1 WAT X4895 12.248 20.384 2.586 0.00 0.00 +ATOM 16773 H2 WAT X4895 11.440 21.651 2.760 0.00 0.00 +ATOM 16774 O WAT X4896 17.461 0.526 25.500 0.00 0.00 +ATOM 16775 H1 WAT X4896 18.155 0.400 24.853 0.00 0.00 +ATOM 16776 H2 WAT X4896 17.114 -0.352 25.653 0.00 0.00 +ATOM 16777 O WAT X4897 21.922 8.177 6.534 0.00 0.00 +ATOM 16778 H1 WAT X4897 22.315 7.566 5.911 0.00 0.00 +ATOM 16779 H2 WAT X4897 22.284 7.921 7.382 0.00 0.00 +ATOM 16780 O WAT X4898 65.201 26.252 7.906 0.00 0.00 +ATOM 16781 H1 WAT X4898 65.357 27.146 7.601 0.00 0.00 +ATOM 16782 H2 WAT X4898 64.254 26.135 7.828 0.00 0.00 +ATOM 16783 O WAT X4899 60.297 34.428 0.035 0.00 0.00 +ATOM 16784 H1 WAT X4899 59.997 34.698 0.903 0.00 0.00 +ATOM 16785 H2 WAT X4899 60.422 33.482 0.108 0.00 0.00 +ATOM 16786 O WAT X4900 33.350 57.627 33.331 0.00 0.00 +ATOM 16787 H1 WAT X4900 33.987 57.998 33.941 0.00 0.00 +ATOM 16788 H2 WAT X4900 33.700 57.835 32.464 0.00 0.00 +ATOM 16789 O WAT X4901 35.137 41.162 52.828 0.00 0.00 +ATOM 16790 H1 WAT X4901 35.569 41.814 53.379 0.00 0.00 +ATOM 16791 H2 WAT X4901 34.471 40.773 53.394 0.00 0.00 +ATOM 16792 O WAT X4902 63.291 62.312 43.259 0.00 0.00 +ATOM 16793 H1 WAT X4902 64.012 62.049 43.831 0.00 0.00 +ATOM 16794 H2 WAT X4902 62.551 61.775 43.544 0.00 0.00 +ATOM 16795 O WAT X4903 11.715 45.197 40.604 0.00 0.00 +ATOM 16796 H1 WAT X4903 11.897 44.966 41.515 0.00 0.00 +ATOM 16797 H2 WAT X4903 12.579 45.312 40.209 0.00 0.00 +ATOM 16798 O WAT X4904 61.421 19.302 34.959 0.00 0.00 +ATOM 16799 H1 WAT X4904 60.513 19.046 34.797 0.00 0.00 +ATOM 16800 H2 WAT X4904 61.857 18.489 35.217 0.00 0.00 +ATOM 16801 O WAT X4905 63.513 62.003 47.031 0.00 0.00 +ATOM 16802 H1 WAT X4905 63.787 61.654 46.183 0.00 0.00 +ATOM 16803 H2 WAT X4905 64.308 61.991 47.563 0.00 0.00 +ATOM 16804 O WAT X4906 45.308 18.668 48.335 0.00 0.00 +ATOM 16805 H1 WAT X4906 44.638 18.061 48.021 0.00 0.00 +ATOM 16806 H2 WAT X4906 46.087 18.451 47.824 0.00 0.00 +ATOM 16807 O WAT X4907 42.223 50.155 12.822 0.00 0.00 +ATOM 16808 H1 WAT X4907 42.009 50.988 13.242 0.00 0.00 +ATOM 16809 H2 WAT X4907 41.470 49.593 13.007 0.00 0.00 +ATOM 16810 O WAT X4908 43.931 3.530 8.570 0.00 0.00 +ATOM 16811 H1 WAT X4908 44.649 3.003 8.220 0.00 0.00 +ATOM 16812 H2 WAT X4908 43.705 3.108 9.398 0.00 0.00 +ATOM 16813 O WAT X4909 30.819 14.977 10.001 0.00 0.00 +ATOM 16814 H1 WAT X4909 31.375 14.937 10.778 0.00 0.00 +ATOM 16815 H2 WAT X4909 31.375 14.655 9.291 0.00 0.00 +ATOM 16816 O WAT X4910 44.282 46.365 22.551 0.00 0.00 +ATOM 16817 H1 WAT X4910 44.335 47.300 22.351 0.00 0.00 +ATOM 16818 H2 WAT X4910 44.154 46.330 23.499 0.00 0.00 +ATOM 16819 O WAT X4911 49.932 18.054 51.749 0.00 0.00 +ATOM 16820 H1 WAT X4911 49.874 18.622 50.981 0.00 0.00 +ATOM 16821 H2 WAT X4911 49.024 17.940 52.031 0.00 0.00 +ATOM 16822 O WAT X4912 41.214 32.722 10.085 0.00 0.00 +ATOM 16823 H1 WAT X4912 41.185 33.403 9.413 0.00 0.00 +ATOM 16824 H2 WAT X4912 41.466 33.184 10.884 0.00 0.00 +ATOM 16825 O WAT X4913 77.270 4.826 48.145 0.00 0.00 +ATOM 16826 H1 WAT X4913 76.865 4.911 47.281 0.00 0.00 +ATOM 16827 H2 WAT X4913 77.699 5.669 48.293 0.00 0.00 +ATOM 16828 O WAT X4914 6.842 55.080 34.867 0.00 0.00 +ATOM 16829 H1 WAT X4914 7.289 54.954 34.030 0.00 0.00 +ATOM 16830 H2 WAT X4914 7.546 55.088 35.516 0.00 0.00 +ATOM 16831 O WAT X4915 15.753 51.563 17.877 0.00 0.00 +ATOM 16832 H1 WAT X4915 15.303 51.426 17.042 0.00 0.00 +ATOM 16833 H2 WAT X4915 15.849 52.513 17.943 0.00 0.00 +ATOM 16834 O WAT X4916 71.397 15.435 35.941 0.00 0.00 +ATOM 16835 H1 WAT X4916 70.855 15.933 35.329 0.00 0.00 +ATOM 16836 H2 WAT X4916 71.250 14.520 35.701 0.00 0.00 +ATOM 16837 O WAT X4917 29.951 56.705 39.620 0.00 0.00 +ATOM 16838 H1 WAT X4917 29.654 57.611 39.542 0.00 0.00 +ATOM 16839 H2 WAT X4917 29.635 56.279 38.824 0.00 0.00 +ATOM 16840 O WAT X4918 13.460 23.746 54.186 0.00 0.00 +ATOM 16841 H1 WAT X4918 13.871 24.216 54.911 0.00 0.00 +ATOM 16842 H2 WAT X4918 12.632 24.203 54.042 0.00 0.00 +ATOM 16843 O WAT X4919 32.223 22.291 49.071 0.00 0.00 +ATOM 16844 H1 WAT X4919 32.418 23.162 49.417 0.00 0.00 +ATOM 16845 H2 WAT X4919 31.563 21.938 49.667 0.00 0.00 +ATOM 16846 O WAT X4920 45.630 8.843 39.757 0.00 0.00 +ATOM 16847 H1 WAT X4920 45.118 8.035 39.746 0.00 0.00 +ATOM 16848 H2 WAT X4920 45.470 9.239 38.901 0.00 0.00 +ATOM 16849 O WAT X4921 18.109 3.682 35.105 0.00 0.00 +ATOM 16850 H1 WAT X4921 17.817 3.028 35.740 0.00 0.00 +ATOM 16851 H2 WAT X4921 18.088 3.226 34.264 0.00 0.00 +ATOM 16852 O WAT X4922 14.273 59.072 12.449 0.00 0.00 +ATOM 16853 H1 WAT X4922 14.160 58.618 11.614 0.00 0.00 +ATOM 16854 H2 WAT X4922 14.741 58.446 13.001 0.00 0.00 +ATOM 16855 O WAT X4923 14.663 29.662 52.290 0.00 0.00 +ATOM 16856 H1 WAT X4923 14.712 29.538 51.342 0.00 0.00 +ATOM 16857 H2 WAT X4923 15.577 29.700 52.574 0.00 0.00 +ATOM 16858 O WAT X4924 11.373 9.501 11.379 0.00 0.00 +ATOM 16859 H1 WAT X4924 11.278 9.029 12.206 0.00 0.00 +ATOM 16860 H2 WAT X4924 12.240 9.254 11.059 0.00 0.00 +ATOM 16861 O WAT X4925 24.129 60.304 52.782 0.00 0.00 +ATOM 16862 H1 WAT X4925 24.259 60.639 53.669 0.00 0.00 +ATOM 16863 H2 WAT X4925 24.987 59.969 52.524 0.00 0.00 +ATOM 16864 O WAT X4926 20.211 63.029 11.580 0.00 0.00 +ATOM 16865 H1 WAT X4926 20.168 62.729 12.488 0.00 0.00 +ATOM 16866 H2 WAT X4926 19.558 62.501 11.122 0.00 0.00 +ATOM 16867 O WAT X4927 53.089 6.418 54.471 0.00 0.00 +ATOM 16868 H1 WAT X4927 52.182 6.191 54.266 0.00 0.00 +ATOM 16869 H2 WAT X4927 53.358 6.999 53.759 0.00 0.00 +ATOM 16870 O WAT X4928 5.332 62.505 48.758 0.00 0.00 +ATOM 16871 H1 WAT X4928 6.238 62.679 48.504 0.00 0.00 +ATOM 16872 H2 WAT X4928 4.946 63.374 48.875 0.00 0.00 +ATOM 16873 O WAT X4929 14.932 21.077 48.356 0.00 0.00 +ATOM 16874 H1 WAT X4929 14.389 21.463 47.669 0.00 0.00 +ATOM 16875 H2 WAT X4929 14.495 21.320 49.172 0.00 0.00 +ATOM 16876 O WAT X4930 40.392 58.626 45.922 0.00 0.00 +ATOM 16877 H1 WAT X4930 41.342 58.523 45.879 0.00 0.00 +ATOM 16878 H2 WAT X4930 40.149 58.262 46.773 0.00 0.00 +ATOM 16879 O WAT X4931 4.245 15.877 8.267 0.00 0.00 +ATOM 16880 H1 WAT X4931 4.405 16.626 7.692 0.00 0.00 +ATOM 16881 H2 WAT X4931 4.928 15.247 8.035 0.00 0.00 +ATOM 16882 O WAT X4932 65.632 48.373 20.939 0.00 0.00 +ATOM 16883 H1 WAT X4932 64.729 48.567 21.191 0.00 0.00 +ATOM 16884 H2 WAT X4932 65.917 47.706 21.563 0.00 0.00 +ATOM 16885 O WAT X4933 44.743 3.053 40.329 0.00 0.00 +ATOM 16886 H1 WAT X4933 43.972 2.544 40.580 0.00 0.00 +ATOM 16887 H2 WAT X4933 44.862 2.862 39.398 0.00 0.00 +ATOM 16888 O WAT X4934 36.798 27.781 14.137 0.00 0.00 +ATOM 16889 H1 WAT X4934 36.962 27.909 13.203 0.00 0.00 +ATOM 16890 H2 WAT X4934 36.092 27.136 14.170 0.00 0.00 +ATOM 16891 O WAT X4935 58.185 27.726 29.700 0.00 0.00 +ATOM 16892 H1 WAT X4935 58.764 27.344 29.041 0.00 0.00 +ATOM 16893 H2 WAT X4935 58.776 28.051 30.379 0.00 0.00 +ATOM 16894 O WAT X4936 40.139 52.131 43.764 0.00 0.00 +ATOM 16895 H1 WAT X4936 40.277 51.795 42.878 0.00 0.00 +ATOM 16896 H2 WAT X4936 39.676 52.959 43.637 0.00 0.00 +ATOM 16897 O WAT X4937 71.313 45.983 -0.052 0.00 0.00 +ATOM 16898 H1 WAT X4937 71.787 45.197 -0.324 0.00 0.00 +ATOM 16899 H2 WAT X4937 71.349 45.965 0.905 0.00 0.00 +ATOM 16900 O WAT X4938 59.064 52.815 32.851 0.00 0.00 +ATOM 16901 H1 WAT X4938 58.488 52.102 32.577 0.00 0.00 +ATOM 16902 H2 WAT X4938 59.669 52.930 32.119 0.00 0.00 +ATOM 16903 O WAT X4939 19.352 5.096 0.296 0.00 0.00 +ATOM 16904 H1 WAT X4939 19.005 4.206 0.357 0.00 0.00 +ATOM 16905 H2 WAT X4939 20.303 4.983 0.292 0.00 0.00 +ATOM 16906 O WAT X4940 69.652 45.738 55.221 0.00 0.00 +ATOM 16907 H1 WAT X4940 70.260 45.622 54.490 0.00 0.00 +ATOM 16908 H2 WAT X4940 70.013 45.194 55.921 0.00 0.00 +ATOM 16909 O WAT X4941 50.968 1.805 45.153 0.00 0.00 +ATOM 16910 H1 WAT X4941 50.149 2.279 45.299 0.00 0.00 +ATOM 16911 H2 WAT X4941 50.708 0.884 45.114 0.00 0.00 +ATOM 16912 O WAT X4942 47.147 50.965 14.118 0.00 0.00 +ATOM 16913 H1 WAT X4942 47.880 50.968 13.502 0.00 0.00 +ATOM 16914 H2 WAT X4942 46.371 50.863 13.567 0.00 0.00 +ATOM 16915 O WAT X4943 2.230 34.281 52.055 0.00 0.00 +ATOM 16916 H1 WAT X4943 2.786 34.094 51.299 0.00 0.00 +ATOM 16917 H2 WAT X4943 2.642 33.807 52.778 0.00 0.00 +ATOM 16918 O WAT X4944 0.856 41.796 28.258 0.00 0.00 +ATOM 16919 H1 WAT X4944 0.510 41.866 29.148 0.00 0.00 +ATOM 16920 H2 WAT X4944 0.627 42.629 27.846 0.00 0.00 +ATOM 16921 O WAT X4945 75.329 38.451 6.983 0.00 0.00 +ATOM 16922 H1 WAT X4945 74.788 38.684 7.737 0.00 0.00 +ATOM 16923 H2 WAT X4945 76.007 39.127 6.956 0.00 0.00 +ATOM 16924 O WAT X4946 35.547 9.021 55.206 0.00 0.00 +ATOM 16925 H1 WAT X4946 35.504 9.951 54.985 0.00 0.00 +ATOM 16926 H2 WAT X4946 34.933 8.919 55.933 0.00 0.00 +ATOM 16927 O WAT X4947 55.481 32.365 52.783 0.00 0.00 +ATOM 16928 H1 WAT X4947 55.857 31.879 53.517 0.00 0.00 +ATOM 16929 H2 WAT X4947 56.128 32.279 52.083 0.00 0.00 +ATOM 16930 O WAT X4948 34.273 50.741 46.333 0.00 0.00 +ATOM 16931 H1 WAT X4948 33.856 51.518 46.707 0.00 0.00 +ATOM 16932 H2 WAT X4948 33.870 50.646 45.470 0.00 0.00 +ATOM 16933 O WAT X4949 51.833 59.098 3.649 0.00 0.00 +ATOM 16934 H1 WAT X4949 51.320 58.351 3.957 0.00 0.00 +ATOM 16935 H2 WAT X4949 51.253 59.850 3.765 0.00 0.00 +ATOM 16936 O WAT X4950 38.396 12.823 9.505 0.00 0.00 +ATOM 16937 H1 WAT X4950 38.386 13.751 9.272 0.00 0.00 +ATOM 16938 H2 WAT X4950 39.306 12.555 9.378 0.00 0.00 +ATOM 16939 O WAT X4951 29.144 59.279 39.459 0.00 0.00 +ATOM 16940 H1 WAT X4951 29.911 59.838 39.582 0.00 0.00 +ATOM 16941 H2 WAT X4951 28.633 59.720 38.781 0.00 0.00 +ATOM 16942 O WAT X4952 40.264 46.861 34.046 0.00 0.00 +ATOM 16943 H1 WAT X4952 40.354 47.534 33.372 0.00 0.00 +ATOM 16944 H2 WAT X4952 40.225 46.038 33.559 0.00 0.00 +ATOM 16945 O WAT X4953 57.997 54.452 4.257 0.00 0.00 +ATOM 16946 H1 WAT X4953 57.550 55.237 4.572 0.00 0.00 +ATOM 16947 H2 WAT X4953 58.754 54.785 3.775 0.00 0.00 +ATOM 16948 O WAT X4954 67.085 61.611 4.405 0.00 0.00 +ATOM 16949 H1 WAT X4954 66.861 60.685 4.497 0.00 0.00 +ATOM 16950 H2 WAT X4954 67.869 61.722 4.943 0.00 0.00 +ATOM 16951 O WAT X4955 75.668 57.854 47.513 0.00 0.00 +ATOM 16952 H1 WAT X4955 75.232 58.330 48.220 0.00 0.00 +ATOM 16953 H2 WAT X4955 75.232 58.156 46.717 0.00 0.00 +ATOM 16954 O WAT X4956 23.043 49.459 49.591 0.00 0.00 +ATOM 16955 H1 WAT X4956 22.289 49.093 50.055 0.00 0.00 +ATOM 16956 H2 WAT X4956 23.802 49.133 50.074 0.00 0.00 +ATOM 16957 O WAT X4957 48.119 38.751 50.853 0.00 0.00 +ATOM 16958 H1 WAT X4957 48.379 37.862 51.096 0.00 0.00 +ATOM 16959 H2 WAT X4957 48.876 39.291 51.078 0.00 0.00 +ATOM 16960 O WAT X4958 38.380 62.657 54.506 0.00 0.00 +ATOM 16961 H1 WAT X4958 37.523 63.050 54.668 0.00 0.00 +ATOM 16962 H2 WAT X4958 38.467 61.985 55.182 0.00 0.00 +ATOM 16963 O WAT X4959 18.494 58.763 53.384 0.00 0.00 +ATOM 16964 H1 WAT X4959 17.721 58.203 53.457 0.00 0.00 +ATOM 16965 H2 WAT X4959 18.166 59.573 52.991 0.00 0.00 +ATOM 16966 O WAT X4960 73.598 9.892 13.399 0.00 0.00 +ATOM 16967 H1 WAT X4960 73.628 8.985 13.704 0.00 0.00 +ATOM 16968 H2 WAT X4960 72.859 10.278 13.870 0.00 0.00 +ATOM 16969 O WAT X4961 0.491 39.144 26.998 0.00 0.00 +ATOM 16970 H1 WAT X4961 0.509 39.921 27.557 0.00 0.00 +ATOM 16971 H2 WAT X4961 0.266 38.427 27.590 0.00 0.00 +ATOM 16972 O WAT X4962 35.771 15.466 54.794 0.00 0.00 +ATOM 16973 H1 WAT X4962 34.862 15.599 54.524 0.00 0.00 +ATOM 16974 H2 WAT X4962 36.145 14.912 54.110 0.00 0.00 +ATOM 16975 O WAT X4963 29.532 21.987 20.588 0.00 0.00 +ATOM 16976 H1 WAT X4963 29.819 22.458 19.805 0.00 0.00 +ATOM 16977 H2 WAT X4963 29.383 22.673 21.239 0.00 0.00 +ATOM 16978 O WAT X4964 40.373 51.683 50.874 0.00 0.00 +ATOM 16979 H1 WAT X4964 40.553 50.801 51.201 0.00 0.00 +ATOM 16980 H2 WAT X4964 41.115 51.882 50.303 0.00 0.00 +ATOM 16981 O WAT X4965 48.641 56.983 19.802 0.00 0.00 +ATOM 16982 H1 WAT X4965 48.845 56.185 19.315 0.00 0.00 +ATOM 16983 H2 WAT X4965 47.872 57.343 19.360 0.00 0.00 +ATOM 16984 O WAT X4966 62.974 43.378 24.896 0.00 0.00 +ATOM 16985 H1 WAT X4966 62.396 43.414 25.657 0.00 0.00 +ATOM 16986 H2 WAT X4966 63.541 42.625 25.061 0.00 0.00 +ATOM 16987 O WAT X4967 22.916 17.103 3.170 0.00 0.00 +ATOM 16988 H1 WAT X4967 22.374 17.762 3.603 0.00 0.00 +ATOM 16989 H2 WAT X4967 22.423 16.864 2.386 0.00 0.00 +ATOM 16990 O WAT X4968 33.981 16.159 31.963 0.00 0.00 +ATOM 16991 H1 WAT X4968 33.779 16.000 32.886 0.00 0.00 +ATOM 16992 H2 WAT X4968 34.055 17.111 31.895 0.00 0.00 +ATOM 16993 O WAT X4969 10.744 18.940 33.151 0.00 0.00 +ATOM 16994 H1 WAT X4969 10.931 19.423 32.346 0.00 0.00 +ATOM 16995 H2 WAT X4969 10.687 19.614 33.828 0.00 0.00 +ATOM 16996 O WAT X4970 -0.226 23.635 9.328 0.00 0.00 +ATOM 16997 H1 WAT X4970 0.471 23.182 8.852 0.00 0.00 +ATOM 16998 H2 WAT X4970 0.229 24.113 10.021 0.00 0.00 +ATOM 16999 O WAT X4971 15.712 21.957 44.108 0.00 0.00 +ATOM 17000 H1 WAT X4971 14.997 22.185 44.702 0.00 0.00 +ATOM 17001 H2 WAT X4971 16.144 22.791 43.922 0.00 0.00 +ATOM 17002 O WAT X4972 35.372 25.250 54.776 0.00 0.00 +ATOM 17003 H1 WAT X4972 34.822 24.527 55.078 0.00 0.00 +ATOM 17004 H2 WAT X4972 35.037 26.016 55.243 0.00 0.00 +ATOM 17005 O WAT X4973 46.752 14.310 53.016 0.00 0.00 +ATOM 17006 H1 WAT X4973 47.426 13.804 52.562 0.00 0.00 +ATOM 17007 H2 WAT X4973 45.934 14.061 52.587 0.00 0.00 +ATOM 17008 O WAT X4974 72.814 0.132 30.056 0.00 0.00 +ATOM 17009 H1 WAT X4974 73.565 -0.258 29.608 0.00 0.00 +ATOM 17010 H2 WAT X4974 72.926 1.075 29.935 0.00 0.00 +ATOM 17011 O WAT X4975 3.364 34.841 17.876 0.00 0.00 +ATOM 17012 H1 WAT X4975 2.758 34.570 17.186 0.00 0.00 +ATOM 17013 H2 WAT X4975 3.254 35.790 17.932 0.00 0.00 +ATOM 17014 O WAT X4976 73.367 37.085 26.646 0.00 0.00 +ATOM 17015 H1 WAT X4976 74.240 37.227 26.279 0.00 0.00 +ATOM 17016 H2 WAT X4976 73.528 36.664 27.490 0.00 0.00 +ATOM 17017 O WAT X4977 16.035 41.369 45.291 0.00 0.00 +ATOM 17018 H1 WAT X4977 16.243 42.217 45.684 0.00 0.00 +ATOM 17019 H2 WAT X4977 16.864 41.068 44.920 0.00 0.00 +ATOM 17020 O WAT X4978 41.155 60.931 31.246 0.00 0.00 +ATOM 17021 H1 WAT X4978 40.301 61.356 31.323 0.00 0.00 +ATOM 17022 H2 WAT X4978 41.219 60.689 30.322 0.00 0.00 +ATOM 17023 O WAT X4979 28.534 53.186 26.700 0.00 0.00 +ATOM 17024 H1 WAT X4979 28.597 54.007 26.211 0.00 0.00 +ATOM 17025 H2 WAT X4979 27.962 52.634 26.167 0.00 0.00 +ATOM 17026 O WAT X4980 39.271 25.687 52.324 0.00 0.00 +ATOM 17027 H1 WAT X4980 38.794 25.575 53.147 0.00 0.00 +ATOM 17028 H2 WAT X4980 40.144 25.975 52.590 0.00 0.00 +ATOM 17029 O WAT X4981 20.082 18.426 34.771 0.00 0.00 +ATOM 17030 H1 WAT X4981 20.354 19.143 35.345 0.00 0.00 +ATOM 17031 H2 WAT X4981 19.723 17.767 35.365 0.00 0.00 +ATOM 17032 O WAT X4982 18.268 43.004 33.021 0.00 0.00 +ATOM 17033 H1 WAT X4982 18.995 42.567 33.466 0.00 0.00 +ATOM 17034 H2 WAT X4982 18.559 43.911 32.924 0.00 0.00 +ATOM 17035 O WAT X4983 22.833 28.532 16.453 0.00 0.00 +ATOM 17036 H1 WAT X4983 23.419 29.220 16.136 0.00 0.00 +ATOM 17037 H2 WAT X4983 22.643 28.778 17.359 0.00 0.00 +ATOM 17038 O WAT X4984 38.892 62.136 3.689 0.00 0.00 +ATOM 17039 H1 WAT X4984 38.217 62.771 3.448 0.00 0.00 +ATOM 17040 H2 WAT X4984 38.702 61.368 3.149 0.00 0.00 +ATOM 17041 O WAT X4985 29.679 7.791 23.334 0.00 0.00 +ATOM 17042 H1 WAT X4985 29.700 7.028 23.912 0.00 0.00 +ATOM 17043 H2 WAT X4985 30.556 7.827 22.952 0.00 0.00 +ATOM 17044 O WAT X4986 66.987 26.446 20.937 0.00 0.00 +ATOM 17045 H1 WAT X4986 67.444 27.192 20.548 0.00 0.00 +ATOM 17046 H2 WAT X4986 67.429 25.679 20.573 0.00 0.00 +ATOM 17047 O WAT X4987 24.219 31.869 56.607 0.00 0.00 +ATOM 17048 H1 WAT X4987 23.613 31.265 57.035 0.00 0.00 +ATOM 17049 H2 WAT X4987 23.810 32.729 56.707 0.00 0.00 +ATOM 17050 O WAT X4988 45.765 25.959 49.441 0.00 0.00 +ATOM 17051 H1 WAT X4988 46.106 26.280 48.606 0.00 0.00 +ATOM 17052 H2 WAT X4988 45.509 25.054 49.263 0.00 0.00 +ATOM 17053 O WAT X4989 46.005 46.371 3.905 0.00 0.00 +ATOM 17054 H1 WAT X4989 45.061 46.501 3.990 0.00 0.00 +ATOM 17055 H2 WAT X4989 46.091 45.591 3.357 0.00 0.00 +ATOM 17056 O WAT X4990 39.299 50.769 27.752 0.00 0.00 +ATOM 17057 H1 WAT X4990 39.689 51.487 28.249 0.00 0.00 +ATOM 17058 H2 WAT X4990 38.931 50.188 28.418 0.00 0.00 +ATOM 17059 O WAT X4991 0.052 10.394 26.419 0.00 0.00 +ATOM 17060 H1 WAT X4991 0.705 10.081 25.793 0.00 0.00 +ATOM 17061 H2 WAT X4991 0.547 10.542 27.226 0.00 0.00 +ATOM 17062 O WAT X4992 25.922 11.246 24.980 0.00 0.00 +ATOM 17063 H1 WAT X4992 25.767 10.321 25.173 0.00 0.00 +ATOM 17064 H2 WAT X4992 26.319 11.594 25.778 0.00 0.00 +ATOM 17065 O WAT X4993 64.524 43.131 54.877 0.00 0.00 +ATOM 17066 H1 WAT X4993 64.187 42.582 54.169 0.00 0.00 +ATOM 17067 H2 WAT X4993 65.383 43.420 54.567 0.00 0.00 +ATOM 17068 O WAT X4994 30.318 39.249 31.264 0.00 0.00 +ATOM 17069 H1 WAT X4994 29.891 40.071 31.506 0.00 0.00 +ATOM 17070 H2 WAT X4994 29.605 38.694 30.948 0.00 0.00 +ATOM 17071 O WAT X4995 19.515 56.868 55.102 0.00 0.00 +ATOM 17072 H1 WAT X4995 19.809 57.688 54.707 0.00 0.00 +ATOM 17073 H2 WAT X4995 19.903 56.185 54.555 0.00 0.00 +ATOM 17074 O WAT X4996 68.115 26.923 16.072 0.00 0.00 +ATOM 17075 H1 WAT X4996 69.071 26.966 16.095 0.00 0.00 +ATOM 17076 H2 WAT X4996 67.909 26.644 15.180 0.00 0.00 +ATOM 17077 O WAT X4997 69.939 50.014 0.687 0.00 0.00 +ATOM 17078 H1 WAT X4997 69.271 49.906 0.009 0.00 0.00 +ATOM 17079 H2 WAT X4997 69.641 50.765 1.199 0.00 0.00 +ATOM 17080 O WAT X4998 75.244 31.480 32.487 0.00 0.00 +ATOM 17081 H1 WAT X4998 75.627 31.389 31.615 0.00 0.00 +ATOM 17082 H2 WAT X4998 75.442 30.651 32.923 0.00 0.00 +ATOM 17083 O WAT X4999 76.912 29.345 7.266 0.00 0.00 +ATOM 17084 H1 WAT X4999 77.284 28.754 6.611 0.00 0.00 +ATOM 17085 H2 WAT X4999 76.685 28.776 8.001 0.00 0.00 +ATOM 17086 O WAT X5000 55.999 60.438 14.684 0.00 0.00 +ATOM 17087 H1 WAT X5000 55.521 59.745 15.140 0.00 0.00 +ATOM 17088 H2 WAT X5000 56.124 61.118 15.345 0.00 0.00 +ATOM 17089 O WAT X5001 4.618 53.166 39.667 0.00 0.00 +ATOM 17090 H1 WAT X5001 5.059 52.562 39.069 0.00 0.00 +ATOM 17091 H2 WAT X5001 4.389 53.918 39.122 0.00 0.00 +ATOM 17092 O WAT X5002 12.081 10.763 14.704 0.00 0.00 +ATOM 17093 H1 WAT X5002 12.514 10.568 15.535 0.00 0.00 +ATOM 17094 H2 WAT X5002 11.281 11.227 14.954 0.00 0.00 +ATOM 17095 O WAT X5003 53.939 35.270 22.968 0.00 0.00 +ATOM 17096 H1 WAT X5003 54.164 36.171 23.199 0.00 0.00 +ATOM 17097 H2 WAT X5003 54.069 35.226 22.021 0.00 0.00 +ATOM 17098 O WAT X5004 20.415 52.361 14.436 0.00 0.00 +ATOM 17099 H1 WAT X5004 20.204 53.294 14.478 0.00 0.00 +ATOM 17100 H2 WAT X5004 21.148 52.309 13.822 0.00 0.00 +ATOM 17101 O WAT X5005 39.193 5.860 34.324 0.00 0.00 +ATOM 17102 H1 WAT X5005 38.623 6.505 34.743 0.00 0.00 +ATOM 17103 H2 WAT X5005 38.698 5.564 33.560 0.00 0.00 +ATOM 17104 O WAT X5006 39.251 15.988 49.299 0.00 0.00 +ATOM 17105 H1 WAT X5006 38.340 16.164 49.064 0.00 0.00 +ATOM 17106 H2 WAT X5006 39.393 16.489 50.102 0.00 0.00 +ATOM 17107 O WAT X5007 43.954 20.688 23.657 0.00 0.00 +ATOM 17108 H1 WAT X5007 44.868 20.419 23.568 0.00 0.00 +ATOM 17109 H2 WAT X5007 43.816 21.307 22.941 0.00 0.00 +ATOM 17110 O WAT X5008 3.529 31.092 42.126 0.00 0.00 +ATOM 17111 H1 WAT X5008 3.809 31.552 42.917 0.00 0.00 +ATOM 17112 H2 WAT X5008 2.720 31.533 41.866 0.00 0.00 +ATOM 17113 O WAT X5009 62.650 34.117 9.026 0.00 0.00 +ATOM 17114 H1 WAT X5009 62.102 33.612 9.626 0.00 0.00 +ATOM 17115 H2 WAT X5009 63.370 33.526 8.803 0.00 0.00 +ATOM 17116 O WAT X5010 40.490 43.281 54.209 0.00 0.00 +ATOM 17117 H1 WAT X5010 41.288 42.761 54.313 0.00 0.00 +ATOM 17118 H2 WAT X5010 40.790 44.189 54.248 0.00 0.00 +ATOM 17119 O WAT X5011 7.863 46.220 44.484 0.00 0.00 +ATOM 17120 H1 WAT X5011 8.527 46.900 44.599 0.00 0.00 +ATOM 17121 H2 WAT X5011 8.314 45.405 44.703 0.00 0.00 +ATOM 17122 O WAT X5012 18.867 59.147 1.343 0.00 0.00 +ATOM 17123 H1 WAT X5012 18.441 58.766 0.575 0.00 0.00 +ATOM 17124 H2 WAT X5012 18.824 58.459 2.007 0.00 0.00 +ATOM 17125 O WAT X5013 23.960 18.371 11.946 0.00 0.00 +ATOM 17126 H1 WAT X5013 24.006 17.785 12.702 0.00 0.00 +ATOM 17127 H2 WAT X5013 23.106 18.190 11.554 0.00 0.00 +ATOM 17128 O WAT X5014 27.484 37.974 54.733 0.00 0.00 +ATOM 17129 H1 WAT X5014 26.958 38.550 55.288 0.00 0.00 +ATOM 17130 H2 WAT X5014 27.005 37.937 53.905 0.00 0.00 +ATOM 17131 O WAT X5015 13.643 55.254 40.306 0.00 0.00 +ATOM 17132 H1 WAT X5015 13.022 55.968 40.160 0.00 0.00 +ATOM 17133 H2 WAT X5015 14.435 55.527 39.841 0.00 0.00 +ATOM 17134 O WAT X5016 0.977 36.350 44.497 0.00 0.00 +ATOM 17135 H1 WAT X5016 0.292 36.778 43.983 0.00 0.00 +ATOM 17136 H2 WAT X5016 1.389 35.740 43.886 0.00 0.00 +ATOM 17137 O WAT X5017 42.311 50.744 40.712 0.00 0.00 +ATOM 17138 H1 WAT X5017 42.000 51.643 40.820 0.00 0.00 +ATOM 17139 H2 WAT X5017 43.261 50.805 40.812 0.00 0.00 +ATOM 17140 O WAT X5018 24.779 11.268 29.807 0.00 0.00 +ATOM 17141 H1 WAT X5018 24.486 11.982 30.373 0.00 0.00 +ATOM 17142 H2 WAT X5018 25.520 11.633 29.324 0.00 0.00 +ATOM 17143 O WAT X5019 13.414 46.673 28.229 0.00 0.00 +ATOM 17144 H1 WAT X5019 13.550 47.126 29.061 0.00 0.00 +ATOM 17145 H2 WAT X5019 12.856 47.264 27.723 0.00 0.00 +ATOM 17146 O WAT X5020 33.724 6.483 45.182 0.00 0.00 +ATOM 17147 H1 WAT X5020 33.645 7.430 45.290 0.00 0.00 +ATOM 17148 H2 WAT X5020 34.533 6.257 45.641 0.00 0.00 +ATOM 17149 O WAT X5021 41.266 55.306 30.500 0.00 0.00 +ATOM 17150 H1 WAT X5021 40.640 55.959 30.187 0.00 0.00 +ATOM 17151 H2 WAT X5021 41.927 55.257 29.810 0.00 0.00 +ATOM 17152 O WAT X5022 70.134 44.892 23.600 0.00 0.00 +ATOM 17153 H1 WAT X5022 70.099 45.444 22.818 0.00 0.00 +ATOM 17154 H2 WAT X5022 70.758 44.201 23.377 0.00 0.00 +ATOM 17155 O WAT X5023 1.333 39.390 20.910 0.00 0.00 +ATOM 17156 H1 WAT X5023 0.674 39.319 20.219 0.00 0.00 +ATOM 17157 H2 WAT X5023 1.058 40.146 21.427 0.00 0.00 +ATOM 17158 O WAT X5024 47.476 10.249 16.163 0.00 0.00 +ATOM 17159 H1 WAT X5024 46.678 9.850 15.817 0.00 0.00 +ATOM 17160 H2 WAT X5024 47.807 10.786 15.443 0.00 0.00 +ATOM 17161 O WAT X5025 30.449 60.468 29.952 0.00 0.00 +ATOM 17162 H1 WAT X5025 29.543 60.491 30.259 0.00 0.00 +ATOM 17163 H2 WAT X5025 30.384 60.212 29.032 0.00 0.00 +ATOM 17164 O WAT X5026 13.084 36.742 3.356 0.00 0.00 +ATOM 17165 H1 WAT X5026 13.413 36.320 2.563 0.00 0.00 +ATOM 17166 H2 WAT X5026 12.568 36.064 3.793 0.00 0.00 +ATOM 17167 O WAT X5027 25.090 14.905 55.948 0.00 0.00 +ATOM 17168 H1 WAT X5027 24.254 14.777 56.397 0.00 0.00 +ATOM 17169 H2 WAT X5027 24.856 14.979 55.023 0.00 0.00 +ATOM 17170 O WAT X5028 24.894 7.846 2.952 0.00 0.00 +ATOM 17171 H1 WAT X5028 24.094 7.702 2.447 0.00 0.00 +ATOM 17172 H2 WAT X5028 24.978 8.798 3.002 0.00 0.00 +ATOM 17173 O WAT X5029 30.557 57.346 32.925 0.00 0.00 +ATOM 17174 H1 WAT X5029 30.540 58.117 33.492 0.00 0.00 +ATOM 17175 H2 WAT X5029 31.486 57.198 32.749 0.00 0.00 +ATOM 17176 O WAT X5030 30.308 53.953 39.330 0.00 0.00 +ATOM 17177 H1 WAT X5030 29.601 54.168 38.723 0.00 0.00 +ATOM 17178 H2 WAT X5030 30.543 53.050 39.113 0.00 0.00 +ATOM 17179 O WAT X5031 56.079 39.293 45.651 0.00 0.00 +ATOM 17180 H1 WAT X5031 55.482 38.892 46.284 0.00 0.00 +ATOM 17181 H2 WAT X5031 56.875 38.765 45.705 0.00 0.00 +ATOM 17182 O WAT X5032 26.975 54.541 52.022 0.00 0.00 +ATOM 17183 H1 WAT X5032 27.350 53.865 51.457 0.00 0.00 +ATOM 17184 H2 WAT X5032 26.468 55.095 51.427 0.00 0.00 +ATOM 17185 O WAT X5033 54.828 30.602 3.994 0.00 0.00 +ATOM 17186 H1 WAT X5033 55.516 31.261 4.085 0.00 0.00 +ATOM 17187 H2 WAT X5033 54.711 30.507 3.049 0.00 0.00 +ATOM 17188 O WAT X5034 51.415 14.942 7.181 0.00 0.00 +ATOM 17189 H1 WAT X5034 50.908 15.125 6.390 0.00 0.00 +ATOM 17190 H2 WAT X5034 52.306 15.214 6.963 0.00 0.00 +ATOM 17191 O WAT X5035 64.285 57.211 57.408 0.00 0.00 +ATOM 17192 H1 WAT X5035 64.890 57.146 58.147 0.00 0.00 +ATOM 17193 H2 WAT X5035 64.830 57.046 56.638 0.00 0.00 +ATOM 17194 O WAT X5036 10.059 8.457 33.821 0.00 0.00 +ATOM 17195 H1 WAT X5036 10.168 7.584 33.443 0.00 0.00 +ATOM 17196 H2 WAT X5036 9.117 8.621 33.775 0.00 0.00 +ATOM 17197 O WAT X5037 56.274 18.683 51.601 0.00 0.00 +ATOM 17198 H1 WAT X5037 55.466 18.800 51.102 0.00 0.00 +ATOM 17199 H2 WAT X5037 56.646 17.867 51.268 0.00 0.00 +ATOM 17200 O WAT X5038 19.843 10.808 37.913 0.00 0.00 +ATOM 17201 H1 WAT X5038 19.533 10.371 38.706 0.00 0.00 +ATOM 17202 H2 WAT X5038 19.715 10.163 37.218 0.00 0.00 +ATOM 17203 O WAT X5039 38.455 0.786 13.298 0.00 0.00 +ATOM 17204 H1 WAT X5039 38.554 1.215 14.148 0.00 0.00 +ATOM 17205 H2 WAT X5039 39.351 0.651 12.992 0.00 0.00 +ATOM 17206 O WAT X5040 41.720 48.064 5.195 0.00 0.00 +ATOM 17207 H1 WAT X5040 41.246 48.758 4.738 0.00 0.00 +ATOM 17208 H2 WAT X5040 41.519 48.206 6.120 0.00 0.00 +ATOM 17209 O WAT X5041 4.764 8.757 32.143 0.00 0.00 +ATOM 17210 H1 WAT X5041 4.669 7.884 31.761 0.00 0.00 +ATOM 17211 H2 WAT X5041 4.386 9.346 31.490 0.00 0.00 +ATOM 17212 O WAT X5042 56.625 50.286 34.311 0.00 0.00 +ATOM 17213 H1 WAT X5042 57.302 50.201 33.639 0.00 0.00 +ATOM 17214 H2 WAT X5042 56.292 51.177 34.203 0.00 0.00 +ATOM 17215 O WAT X5043 62.294 23.944 56.283 0.00 0.00 +ATOM 17216 H1 WAT X5043 63.171 24.283 56.101 0.00 0.00 +ATOM 17217 H2 WAT X5043 61.707 24.528 55.803 0.00 0.00 +ATOM 17218 O WAT X5044 51.478 54.411 14.931 0.00 0.00 +ATOM 17219 H1 WAT X5044 51.535 54.737 15.829 0.00 0.00 +ATOM 17220 H2 WAT X5044 51.103 53.535 15.017 0.00 0.00 +ATOM 17221 O WAT X5045 19.429 46.275 15.754 0.00 0.00 +ATOM 17222 H1 WAT X5045 20.363 46.422 15.902 0.00 0.00 +ATOM 17223 H2 WAT X5045 19.262 46.651 14.889 0.00 0.00 +ATOM 17224 O WAT X5046 65.114 17.191 41.998 0.00 0.00 +ATOM 17225 H1 WAT X5046 65.702 16.966 42.720 0.00 0.00 +ATOM 17226 H2 WAT X5046 65.247 18.129 41.863 0.00 0.00 +ATOM 17227 O WAT X5047 12.086 9.285 56.914 0.00 0.00 +ATOM 17228 H1 WAT X5047 11.393 9.428 57.559 0.00 0.00 +ATOM 17229 H2 WAT X5047 12.525 10.132 56.843 0.00 0.00 +ATOM 17230 O WAT X5048 49.139 52.503 6.855 0.00 0.00 +ATOM 17231 H1 WAT X5048 49.694 53.282 6.881 0.00 0.00 +ATOM 17232 H2 WAT X5048 49.463 51.954 7.569 0.00 0.00 +ATOM 17233 O WAT X5049 48.950 41.135 18.471 0.00 0.00 +ATOM 17234 H1 WAT X5049 48.924 41.668 19.266 0.00 0.00 +ATOM 17235 H2 WAT X5049 48.033 41.055 18.207 0.00 0.00 +ATOM 17236 O WAT X5050 38.075 16.939 29.969 0.00 0.00 +ATOM 17237 H1 WAT X5050 38.133 17.425 30.791 0.00 0.00 +ATOM 17238 H2 WAT X5050 37.194 17.124 29.643 0.00 0.00 +ATOM 17239 O WAT X5051 11.431 10.284 48.441 0.00 0.00 +ATOM 17240 H1 WAT X5051 10.608 9.954 48.802 0.00 0.00 +ATOM 17241 H2 WAT X5051 11.231 11.179 48.166 0.00 0.00 +ATOM 17242 O WAT X5052 47.041 15.116 45.455 0.00 0.00 +ATOM 17243 H1 WAT X5052 47.896 14.927 45.068 0.00 0.00 +ATOM 17244 H2 WAT X5052 46.414 14.700 44.863 0.00 0.00 +ATOM 17245 O WAT X5053 14.873 15.807 22.561 0.00 0.00 +ATOM 17246 H1 WAT X5053 14.810 14.878 22.341 0.00 0.00 +ATOM 17247 H2 WAT X5053 15.806 15.953 22.720 0.00 0.00 +ATOM 17248 O WAT X5054 65.375 37.041 4.181 0.00 0.00 +ATOM 17249 H1 WAT X5054 64.906 37.313 3.392 0.00 0.00 +ATOM 17250 H2 WAT X5054 64.902 36.267 4.486 0.00 0.00 +ATOM 17251 O WAT X5055 35.752 25.160 5.309 0.00 0.00 +ATOM 17252 H1 WAT X5055 35.837 24.465 4.656 0.00 0.00 +ATOM 17253 H2 WAT X5055 36.566 25.118 5.810 0.00 0.00 +ATOM 17254 O WAT X5056 59.259 23.559 14.495 0.00 0.00 +ATOM 17255 H1 WAT X5056 58.327 23.605 14.279 0.00 0.00 +ATOM 17256 H2 WAT X5056 59.517 24.470 14.635 0.00 0.00 +ATOM 17257 O WAT X5057 68.421 38.518 35.925 0.00 0.00 +ATOM 17258 H1 WAT X5057 68.275 38.710 36.851 0.00 0.00 +ATOM 17259 H2 WAT X5057 68.810 39.319 35.573 0.00 0.00 +ATOM 17260 O WAT X5058 60.835 46.084 44.967 0.00 0.00 +ATOM 17261 H1 WAT X5058 61.755 45.972 45.206 0.00 0.00 +ATOM 17262 H2 WAT X5058 60.802 45.868 44.035 0.00 0.00 +ATOM 17263 O WAT X5059 49.081 55.838 17.364 0.00 0.00 +ATOM 17264 H1 WAT X5059 49.374 56.565 16.814 0.00 0.00 +ATOM 17265 H2 WAT X5059 49.001 55.099 16.760 0.00 0.00 +ATOM 17266 O WAT X5060 38.604 14.868 14.520 0.00 0.00 +ATOM 17267 H1 WAT X5060 38.783 15.015 13.591 0.00 0.00 +ATOM 17268 H2 WAT X5060 39.454 14.638 14.894 0.00 0.00 +ATOM 17269 O WAT X5061 61.476 40.822 23.843 0.00 0.00 +ATOM 17270 H1 WAT X5061 61.813 41.455 24.477 0.00 0.00 +ATOM 17271 H2 WAT X5061 62.170 40.745 23.188 0.00 0.00 +ATOM 17272 O WAT X5062 31.459 59.238 7.676 0.00 0.00 +ATOM 17273 H1 WAT X5062 30.981 59.706 8.361 0.00 0.00 +ATOM 17274 H2 WAT X5062 32.376 59.473 7.821 0.00 0.00 +ATOM 17275 O WAT X5063 72.086 43.072 14.400 0.00 0.00 +ATOM 17276 H1 WAT X5063 72.455 43.410 13.584 0.00 0.00 +ATOM 17277 H2 WAT X5063 72.067 43.829 14.986 0.00 0.00 +ATOM 17278 O WAT X5064 12.996 17.555 6.675 0.00 0.00 +ATOM 17279 H1 WAT X5064 12.242 18.108 6.877 0.00 0.00 +ATOM 17280 H2 WAT X5064 13.365 17.935 5.877 0.00 0.00 +ATOM 17281 O WAT X5065 46.514 55.831 3.318 0.00 0.00 +ATOM 17282 H1 WAT X5065 45.854 56.510 3.175 0.00 0.00 +ATOM 17283 H2 WAT X5065 46.123 55.252 3.972 0.00 0.00 +ATOM 17284 O WAT X5066 56.340 59.094 47.665 0.00 0.00 +ATOM 17285 H1 WAT X5066 56.084 58.368 47.096 0.00 0.00 +ATOM 17286 H2 WAT X5066 56.779 59.713 47.080 0.00 0.00 +ATOM 17287 O WAT X5067 48.979 54.336 9.278 0.00 0.00 +ATOM 17288 H1 WAT X5067 48.797 53.496 9.699 0.00 0.00 +ATOM 17289 H2 WAT X5067 49.928 54.339 9.150 0.00 0.00 +ATOM 17290 O WAT X5068 41.182 11.946 14.475 0.00 0.00 +ATOM 17291 H1 WAT X5068 42.089 12.166 14.688 0.00 0.00 +ATOM 17292 H2 WAT X5068 40.980 12.478 13.706 0.00 0.00 +ATOM 17293 O WAT X5069 68.598 11.978 47.025 0.00 0.00 +ATOM 17294 H1 WAT X5069 67.942 11.285 46.944 0.00 0.00 +ATOM 17295 H2 WAT X5069 68.091 12.790 47.017 0.00 0.00 +ATOM 17296 O WAT X5070 15.597 5.434 36.731 0.00 0.00 +ATOM 17297 H1 WAT X5070 14.986 5.988 36.245 0.00 0.00 +ATOM 17298 H2 WAT X5070 16.450 5.848 36.602 0.00 0.00 +ATOM 17299 O WAT X5071 55.920 11.607 58.217 0.00 0.00 +ATOM 17300 H1 WAT X5071 55.327 12.304 58.497 0.00 0.00 +ATOM 17301 H2 WAT X5071 55.543 11.287 57.397 0.00 0.00 +ATOM 17302 O WAT X5072 67.136 58.960 5.248 0.00 0.00 +ATOM 17303 H1 WAT X5072 66.548 58.661 5.941 0.00 0.00 +ATOM 17304 H2 WAT X5072 67.131 58.250 4.606 0.00 0.00 +ATOM 17305 O WAT X5073 46.233 53.324 28.809 0.00 0.00 +ATOM 17306 H1 WAT X5073 46.454 53.139 27.897 0.00 0.00 +ATOM 17307 H2 WAT X5073 46.176 54.279 28.853 0.00 0.00 +ATOM 17308 O WAT X5074 45.754 58.380 42.691 0.00 0.00 +ATOM 17309 H1 WAT X5074 46.088 57.796 43.372 0.00 0.00 +ATOM 17310 H2 WAT X5074 45.505 59.176 43.159 0.00 0.00 +ATOM 17311 O WAT X5075 30.069 49.277 35.538 0.00 0.00 +ATOM 17312 H1 WAT X5075 29.999 48.452 35.058 0.00 0.00 +ATOM 17313 H2 WAT X5075 30.726 49.107 36.213 0.00 0.00 +ATOM 17314 O WAT X5076 44.455 57.907 25.486 0.00 0.00 +ATOM 17315 H1 WAT X5076 44.274 57.349 24.730 0.00 0.00 +ATOM 17316 H2 WAT X5076 44.099 58.762 25.244 0.00 0.00 +ATOM 17317 O WAT X5077 53.556 56.618 31.201 0.00 0.00 +ATOM 17318 H1 WAT X5077 54.304 56.021 31.165 0.00 0.00 +ATOM 17319 H2 WAT X5077 52.997 56.260 31.891 0.00 0.00 +ATOM 17320 O WAT X5078 63.192 60.979 34.308 0.00 0.00 +ATOM 17321 H1 WAT X5078 63.044 61.807 33.851 0.00 0.00 +ATOM 17322 H2 WAT X5078 62.842 60.313 33.716 0.00 0.00 +ATOM 17323 O WAT X5079 10.155 15.577 50.111 0.00 0.00 +ATOM 17324 H1 WAT X5079 9.801 15.916 50.933 0.00 0.00 +ATOM 17325 H2 WAT X5079 9.911 16.231 49.456 0.00 0.00 +ATOM 17326 O WAT X5080 16.524 42.541 50.949 0.00 0.00 +ATOM 17327 H1 WAT X5080 15.695 42.112 51.161 0.00 0.00 +ATOM 17328 H2 WAT X5080 16.634 42.399 50.009 0.00 0.00 +ATOM 17329 O WAT X5081 44.972 16.630 28.827 0.00 0.00 +ATOM 17330 H1 WAT X5081 44.683 17.172 29.560 0.00 0.00 +ATOM 17331 H2 WAT X5081 45.753 16.182 29.153 0.00 0.00 +ATOM 17332 O WAT X5082 45.351 3.329 50.629 0.00 0.00 +ATOM 17333 H1 WAT X5082 45.188 2.834 49.825 0.00 0.00 +ATOM 17334 H2 WAT X5082 44.510 3.740 50.831 0.00 0.00 +ATOM 17335 O WAT X5083 22.098 9.295 57.590 0.00 0.00 +ATOM 17336 H1 WAT X5083 21.519 8.536 57.528 0.00 0.00 +ATOM 17337 H2 WAT X5083 22.236 9.414 58.530 0.00 0.00 +ATOM 17338 O WAT X5084 70.338 55.208 6.007 0.00 0.00 +ATOM 17339 H1 WAT X5084 70.074 55.861 6.656 0.00 0.00 +ATOM 17340 H2 WAT X5084 69.517 54.933 5.598 0.00 0.00 +ATOM 17341 O WAT X5085 64.411 9.209 50.420 0.00 0.00 +ATOM 17342 H1 WAT X5085 64.479 10.068 50.836 0.00 0.00 +ATOM 17343 H2 WAT X5085 64.836 9.321 49.569 0.00 0.00 +ATOM 17344 O WAT X5086 73.820 53.832 19.059 0.00 0.00 +ATOM 17345 H1 WAT X5086 74.148 52.933 19.085 0.00 0.00 +ATOM 17346 H2 WAT X5086 74.392 54.278 18.434 0.00 0.00 +ATOM 17347 O WAT X5087 17.729 2.857 47.424 0.00 0.00 +ATOM 17348 H1 WAT X5087 17.410 3.506 48.051 0.00 0.00 +ATOM 17349 H2 WAT X5087 18.100 2.162 47.967 0.00 0.00 +ATOM 17350 O WAT X5088 78.066 15.717 16.473 0.00 0.00 +ATOM 17351 H1 WAT X5088 77.487 15.667 15.712 0.00 0.00 +ATOM 17352 H2 WAT X5088 77.493 15.981 17.192 0.00 0.00 +ATOM 17353 O WAT X5089 39.103 49.850 38.137 0.00 0.00 +ATOM 17354 H1 WAT X5089 39.351 50.763 38.281 0.00 0.00 +ATOM 17355 H2 WAT X5089 39.860 49.346 38.435 0.00 0.00 +ATOM 17356 O WAT X5090 49.513 8.944 52.138 0.00 0.00 +ATOM 17357 H1 WAT X5090 48.732 9.443 51.897 0.00 0.00 +ATOM 17358 H2 WAT X5090 50.239 9.432 51.748 0.00 0.00 +ATOM 17359 O WAT X5091 46.870 53.388 31.727 0.00 0.00 +ATOM 17360 H1 WAT X5091 46.090 53.121 31.240 0.00 0.00 +ATOM 17361 H2 WAT X5091 47.418 52.604 31.750 0.00 0.00 +ATOM 17362 O WAT X5092 23.868 24.660 4.407 0.00 0.00 +ATOM 17363 H1 WAT X5092 23.752 23.726 4.229 0.00 0.00 +ATOM 17364 H2 WAT X5092 24.681 24.708 4.909 0.00 0.00 +ATOM 17365 O WAT X5093 73.741 3.610 0.236 0.00 0.00 +ATOM 17366 H1 WAT X5093 72.921 3.324 0.638 0.00 0.00 +ATOM 17367 H2 WAT X5093 73.743 4.561 0.348 0.00 0.00 +ATOM 17368 O WAT X5094 6.389 59.099 46.528 0.00 0.00 +ATOM 17369 H1 WAT X5094 5.599 59.078 47.068 0.00 0.00 +ATOM 17370 H2 WAT X5094 6.918 58.368 46.849 0.00 0.00 +ATOM 17371 O WAT X5095 27.844 61.499 8.190 0.00 0.00 +ATOM 17372 H1 WAT X5095 27.847 60.731 8.761 0.00 0.00 +ATOM 17373 H2 WAT X5095 28.039 61.152 7.320 0.00 0.00 +ATOM 17374 O WAT X5096 30.063 13.966 6.584 0.00 0.00 +ATOM 17375 H1 WAT X5096 30.041 13.078 6.228 0.00 0.00 +ATOM 17376 H2 WAT X5096 29.252 14.043 7.087 0.00 0.00 +ATOM 17377 O WAT X5097 77.671 11.331 44.632 0.00 0.00 +ATOM 17378 H1 WAT X5097 78.234 12.007 44.255 0.00 0.00 +ATOM 17379 H2 WAT X5097 77.663 10.634 43.977 0.00 0.00 +ATOM 17380 O WAT X5098 21.571 59.681 36.100 0.00 0.00 +ATOM 17381 H1 WAT X5098 21.238 59.012 35.501 0.00 0.00 +ATOM 17382 H2 WAT X5098 21.161 60.493 35.803 0.00 0.00 +ATOM 17383 O WAT X5099 23.066 8.517 21.382 0.00 0.00 +ATOM 17384 H1 WAT X5099 23.257 8.377 20.454 0.00 0.00 +ATOM 17385 H2 WAT X5099 23.094 7.642 21.767 0.00 0.00 +ATOM 17386 O WAT X5100 62.925 23.522 9.399 0.00 0.00 +ATOM 17387 H1 WAT X5100 63.817 23.340 9.695 0.00 0.00 +ATOM 17388 H2 WAT X5100 62.542 22.658 9.250 0.00 0.00 +ATOM 17389 O WAT X5101 29.656 18.441 44.347 0.00 0.00 +ATOM 17390 H1 WAT X5101 29.350 19.015 43.644 0.00 0.00 +ATOM 17391 H2 WAT X5101 29.757 17.585 43.931 0.00 0.00 +ATOM 17392 O WAT X5102 69.400 24.313 17.492 0.00 0.00 +ATOM 17393 H1 WAT X5102 69.117 23.580 16.946 0.00 0.00 +ATOM 17394 H2 WAT X5102 69.588 25.016 16.871 0.00 0.00 +ATOM 17395 O WAT X5103 69.898 17.138 52.913 0.00 0.00 +ATOM 17396 H1 WAT X5103 70.375 17.795 52.407 0.00 0.00 +ATOM 17397 H2 WAT X5103 70.468 16.949 53.658 0.00 0.00 +ATOM 17398 O WAT X5104 73.413 51.210 11.377 0.00 0.00 +ATOM 17399 H1 WAT X5104 73.247 50.870 10.498 0.00 0.00 +ATOM 17400 H2 WAT X5104 72.904 52.020 11.421 0.00 0.00 +ATOM 17401 O WAT X5105 16.773 34.644 17.224 0.00 0.00 +ATOM 17402 H1 WAT X5105 16.523 35.457 17.663 0.00 0.00 +ATOM 17403 H2 WAT X5105 17.607 34.401 17.626 0.00 0.00 +ATOM 17404 O WAT X5106 39.422 42.498 51.789 0.00 0.00 +ATOM 17405 H1 WAT X5106 39.643 43.009 52.568 0.00 0.00 +ATOM 17406 H2 WAT X5106 39.738 41.616 51.984 0.00 0.00 +ATOM 17407 O WAT X5107 63.670 47.657 58.210 0.00 0.00 +ATOM 17408 H1 WAT X5107 62.891 47.142 57.998 0.00 0.00 +ATOM 17409 H2 WAT X5107 63.406 48.195 58.956 0.00 0.00 +ATOM 17410 O WAT X5108 35.597 45.307 45.044 0.00 0.00 +ATOM 17411 H1 WAT X5108 36.489 44.989 44.906 0.00 0.00 +ATOM 17412 H2 WAT X5108 35.710 46.176 45.429 0.00 0.00 +ATOM 17413 O WAT X5109 37.566 52.369 34.460 0.00 0.00 +ATOM 17414 H1 WAT X5109 36.963 53.106 34.557 0.00 0.00 +ATOM 17415 H2 WAT X5109 37.246 51.714 35.080 0.00 0.00 +ATOM 17416 O WAT X5110 22.855 57.141 22.152 0.00 0.00 +ATOM 17417 H1 WAT X5110 22.511 56.591 21.448 0.00 0.00 +ATOM 17418 H2 WAT X5110 22.331 56.906 22.918 0.00 0.00 +ATOM 17419 O WAT X5111 76.961 35.469 31.639 0.00 0.00 +ATOM 17420 H1 WAT X5111 76.373 34.888 31.156 0.00 0.00 +ATOM 17421 H2 WAT X5111 76.470 35.706 32.426 0.00 0.00 +ATOM 17422 O WAT X5112 22.673 13.178 14.373 0.00 0.00 +ATOM 17423 H1 WAT X5112 22.390 14.041 14.676 0.00 0.00 +ATOM 17424 H2 WAT X5112 21.860 12.691 14.242 0.00 0.00 +ATOM 17425 O WAT X5113 38.554 8.528 31.756 0.00 0.00 +ATOM 17426 H1 WAT X5113 38.833 7.872 31.116 0.00 0.00 +ATOM 17427 H2 WAT X5113 38.874 9.358 31.403 0.00 0.00 +ATOM 17428 O WAT X5114 7.050 6.905 1.377 0.00 0.00 +ATOM 17429 H1 WAT X5114 7.684 6.760 2.079 0.00 0.00 +ATOM 17430 H2 WAT X5114 7.351 6.344 0.662 0.00 0.00 +ATOM 17431 O WAT X5115 33.318 33.768 48.818 0.00 0.00 +ATOM 17432 H1 WAT X5115 33.384 32.820 48.935 0.00 0.00 +ATOM 17433 H2 WAT X5115 32.755 34.059 49.535 0.00 0.00 +ATOM 17434 O WAT X5116 63.914 36.922 24.833 0.00 0.00 +ATOM 17435 H1 WAT X5116 64.468 37.644 24.537 0.00 0.00 +ATOM 17436 H2 WAT X5116 63.198 36.894 24.198 0.00 0.00 +ATOM 17437 O WAT X5117 10.777 32.039 38.173 0.00 0.00 +ATOM 17438 H1 WAT X5117 11.229 31.325 38.623 0.00 0.00 +ATOM 17439 H2 WAT X5117 10.969 32.815 38.701 0.00 0.00 +ATOM 17440 O WAT X5118 10.510 26.784 18.592 0.00 0.00 +ATOM 17441 H1 WAT X5118 10.912 27.461 19.136 0.00 0.00 +ATOM 17442 H2 WAT X5118 11.074 26.019 18.706 0.00 0.00 +ATOM 17443 O WAT X5119 3.695 28.968 40.619 0.00 0.00 +ATOM 17444 H1 WAT X5119 3.822 29.797 41.079 0.00 0.00 +ATOM 17445 H2 WAT X5119 2.836 28.661 40.909 0.00 0.00 +ATOM 17446 O WAT X5120 48.303 10.766 13.377 0.00 0.00 +ATOM 17447 H1 WAT X5120 49.124 10.311 13.192 0.00 0.00 +ATOM 17448 H2 WAT X5120 47.638 10.078 13.354 0.00 0.00 +ATOM 17449 O WAT X5121 49.740 7.602 24.528 0.00 0.00 +ATOM 17450 H1 WAT X5121 49.158 6.862 24.702 0.00 0.00 +ATOM 17451 H2 WAT X5121 49.966 7.516 23.602 0.00 0.00 +ATOM 17452 O WAT X5122 44.613 5.148 3.840 0.00 0.00 +ATOM 17453 H1 WAT X5122 44.468 4.208 3.945 0.00 0.00 +ATOM 17454 H2 WAT X5122 44.128 5.548 4.562 0.00 0.00 +ATOM 17455 O WAT X5123 57.721 8.319 24.416 0.00 0.00 +ATOM 17456 H1 WAT X5123 57.306 7.798 23.729 0.00 0.00 +ATOM 17457 H2 WAT X5123 57.476 7.880 25.231 0.00 0.00 +ATOM 17458 O WAT X5124 2.146 17.305 16.057 0.00 0.00 +ATOM 17459 H1 WAT X5124 1.538 16.641 16.384 0.00 0.00 +ATOM 17460 H2 WAT X5124 2.895 16.804 15.733 0.00 0.00 +ATOM 17461 O WAT X5125 74.246 22.230 53.730 0.00 0.00 +ATOM 17462 H1 WAT X5125 75.021 22.747 53.509 0.00 0.00 +ATOM 17463 H2 WAT X5125 74.530 21.321 53.637 0.00 0.00 +ATOM 17464 O WAT X5126 35.494 7.242 31.973 0.00 0.00 +ATOM 17465 H1 WAT X5126 36.075 8.001 31.924 0.00 0.00 +ATOM 17466 H2 WAT X5126 34.818 7.498 32.601 0.00 0.00 +ATOM 17467 O WAT X5127 17.789 61.233 52.194 0.00 0.00 +ATOM 17468 H1 WAT X5127 18.021 62.079 52.578 0.00 0.00 +ATOM 17469 H2 WAT X5127 16.932 61.380 51.793 0.00 0.00 +ATOM 17470 O WAT X5128 62.689 36.798 43.012 0.00 0.00 +ATOM 17471 H1 WAT X5128 62.256 36.361 42.278 0.00 0.00 +ATOM 17472 H2 WAT X5128 63.621 36.623 42.879 0.00 0.00 +ATOM 17473 O WAT X5129 28.162 57.104 7.880 0.00 0.00 +ATOM 17474 H1 WAT X5129 28.640 56.540 8.488 0.00 0.00 +ATOM 17475 H2 WAT X5129 28.755 57.212 7.137 0.00 0.00 +ATOM 17476 O WAT X5130 21.915 33.244 47.915 0.00 0.00 +ATOM 17477 H1 WAT X5130 21.328 33.050 47.185 0.00 0.00 +ATOM 17478 H2 WAT X5130 21.953 34.200 47.945 0.00 0.00 +ATOM 17479 O WAT X5131 49.270 25.762 50.957 0.00 0.00 +ATOM 17480 H1 WAT X5131 48.601 26.320 51.354 0.00 0.00 +ATOM 17481 H2 WAT X5131 49.539 26.235 50.169 0.00 0.00 +ATOM 17482 O WAT X5132 59.709 19.575 37.659 0.00 0.00 +ATOM 17483 H1 WAT X5132 58.896 19.625 37.156 0.00 0.00 +ATOM 17484 H2 WAT X5132 60.365 19.983 37.094 0.00 0.00 +ATOM 17485 O WAT X5133 35.986 60.172 39.792 0.00 0.00 +ATOM 17486 H1 WAT X5133 35.380 59.564 39.369 0.00 0.00 +ATOM 17487 H2 WAT X5133 36.749 60.189 39.214 0.00 0.00 +ATOM 17488 O WAT X5134 16.232 48.212 3.119 0.00 0.00 +ATOM 17489 H1 WAT X5134 15.729 48.218 2.305 0.00 0.00 +ATOM 17490 H2 WAT X5134 16.633 49.080 3.160 0.00 0.00 +ATOM 17491 O WAT X5135 16.376 12.007 26.146 0.00 0.00 +ATOM 17492 H1 WAT X5135 17.193 11.630 26.473 0.00 0.00 +ATOM 17493 H2 WAT X5135 16.494 12.049 25.197 0.00 0.00 +ATOM 17494 O WAT X5136 71.666 13.838 40.373 0.00 0.00 +ATOM 17495 H1 WAT X5136 72.174 14.068 39.595 0.00 0.00 +ATOM 17496 H2 WAT X5136 72.059 13.023 40.683 0.00 0.00 +ATOM 17497 O WAT X5137 54.085 8.293 47.519 0.00 0.00 +ATOM 17498 H1 WAT X5137 54.371 8.897 48.204 0.00 0.00 +ATOM 17499 H2 WAT X5137 53.252 8.654 47.213 0.00 0.00 +ATOM 17500 O WAT X5138 59.444 42.427 1.645 0.00 0.00 +ATOM 17501 H1 WAT X5138 59.960 43.229 1.554 0.00 0.00 +ATOM 17502 H2 WAT X5138 58.759 42.506 0.981 0.00 0.00 +ATOM 17503 O WAT X5139 38.050 7.276 36.539 0.00 0.00 +ATOM 17504 H1 WAT X5139 38.134 8.142 36.139 0.00 0.00 +ATOM 17505 H2 WAT X5139 38.495 7.357 37.382 0.00 0.00 +ATOM 17506 O WAT X5140 54.850 21.659 10.330 0.00 0.00 +ATOM 17507 H1 WAT X5140 53.900 21.772 10.303 0.00 0.00 +ATOM 17508 H2 WAT X5140 55.141 22.241 11.032 0.00 0.00 +ATOM 17509 O WAT X5141 75.970 40.247 48.816 0.00 0.00 +ATOM 17510 H1 WAT X5141 75.210 39.757 49.129 0.00 0.00 +ATOM 17511 H2 WAT X5141 76.339 40.647 49.604 0.00 0.00 +ATOM 17512 O WAT X5142 6.999 18.864 48.432 0.00 0.00 +ATOM 17513 H1 WAT X5142 6.847 18.958 49.372 0.00 0.00 +ATOM 17514 H2 WAT X5142 6.288 18.299 48.130 0.00 0.00 +ATOM 17515 O WAT X5143 10.781 33.888 22.660 0.00 0.00 +ATOM 17516 H1 WAT X5143 11.193 33.594 23.473 0.00 0.00 +ATOM 17517 H2 WAT X5143 10.639 34.826 22.789 0.00 0.00 +ATOM 17518 O WAT X5144 38.015 25.636 11.988 0.00 0.00 +ATOM 17519 H1 WAT X5144 38.504 25.744 12.804 0.00 0.00 +ATOM 17520 H2 WAT X5144 38.661 25.305 11.364 0.00 0.00 +ATOM 17521 O WAT X5145 52.592 6.458 42.163 0.00 0.00 +ATOM 17522 H1 WAT X5145 52.080 6.777 42.906 0.00 0.00 +ATOM 17523 H2 WAT X5145 52.325 5.543 42.064 0.00 0.00 +ATOM 17524 O WAT X5146 8.099 57.358 13.211 0.00 0.00 +ATOM 17525 H1 WAT X5146 8.347 56.817 12.462 0.00 0.00 +ATOM 17526 H2 WAT X5146 8.340 58.248 12.954 0.00 0.00 +ATOM 17527 O WAT X5147 8.121 18.019 54.527 0.00 0.00 +ATOM 17528 H1 WAT X5147 8.135 18.947 54.761 0.00 0.00 +ATOM 17529 H2 WAT X5147 7.394 17.655 55.032 0.00 0.00 +ATOM 17530 O WAT X5148 75.103 27.797 44.901 0.00 0.00 +ATOM 17531 H1 WAT X5148 75.008 27.519 45.812 0.00 0.00 +ATOM 17532 H2 WAT X5148 75.427 27.020 44.445 0.00 0.00 +ATOM 17533 O WAT X5149 8.883 26.476 22.682 0.00 0.00 +ATOM 17534 H1 WAT X5149 8.623 27.381 22.507 0.00 0.00 +ATOM 17535 H2 WAT X5149 9.291 26.508 23.548 0.00 0.00 +ATOM 17536 O WAT X5150 21.457 31.588 10.323 0.00 0.00 +ATOM 17537 H1 WAT X5150 21.846 31.594 11.198 0.00 0.00 +ATOM 17538 H2 WAT X5150 21.017 32.435 10.250 0.00 0.00 +ATOM 17539 O WAT X5151 55.845 38.918 6.315 0.00 0.00 +ATOM 17540 H1 WAT X5151 56.017 38.985 7.255 0.00 0.00 +ATOM 17541 H2 WAT X5151 56.141 39.755 5.957 0.00 0.00 +ATOM 17542 O WAT X5152 32.828 15.116 11.915 0.00 0.00 +ATOM 17543 H1 WAT X5152 33.660 15.386 11.526 0.00 0.00 +ATOM 17544 H2 WAT X5152 32.832 15.511 12.787 0.00 0.00 +ATOM 17545 O WAT X5153 7.830 6.440 12.438 0.00 0.00 +ATOM 17546 H1 WAT X5153 8.717 6.381 12.083 0.00 0.00 +ATOM 17547 H2 WAT X5153 7.748 5.674 13.006 0.00 0.00 +ATOM 17548 O WAT X5154 15.102 12.131 37.895 0.00 0.00 +ATOM 17549 H1 WAT X5154 15.996 12.262 38.211 0.00 0.00 +ATOM 17550 H2 WAT X5154 15.103 12.501 37.012 0.00 0.00 +ATOM 17551 O WAT X5155 34.091 49.809 54.148 0.00 0.00 +ATOM 17552 H1 WAT X5155 33.380 50.418 53.946 0.00 0.00 +ATOM 17553 H2 WAT X5155 34.671 49.858 53.388 0.00 0.00 +ATOM 17554 O WAT X5156 41.893 53.279 26.921 0.00 0.00 +ATOM 17555 H1 WAT X5156 41.882 53.281 25.964 0.00 0.00 +ATOM 17556 H2 WAT X5156 40.986 53.457 27.171 0.00 0.00 +ATOM 17557 O WAT X5157 36.757 3.416 42.028 0.00 0.00 +ATOM 17558 H1 WAT X5157 36.604 4.359 41.960 0.00 0.00 +ATOM 17559 H2 WAT X5157 36.470 3.190 42.912 0.00 0.00 +ATOM 17560 O WAT X5158 66.833 33.779 53.393 0.00 0.00 +ATOM 17561 H1 WAT X5158 67.135 34.417 52.747 0.00 0.00 +ATOM 17562 H2 WAT X5158 66.839 34.257 54.223 0.00 0.00 +ATOM 17563 O WAT X5159 34.827 44.202 16.824 0.00 0.00 +ATOM 17564 H1 WAT X5159 35.238 43.596 17.440 0.00 0.00 +ATOM 17565 H2 WAT X5159 34.710 43.688 16.025 0.00 0.00 +ATOM 17566 O WAT X5160 18.461 18.748 13.540 0.00 0.00 +ATOM 17567 H1 WAT X5160 18.792 17.854 13.465 0.00 0.00 +ATOM 17568 H2 WAT X5160 19.154 19.293 13.166 0.00 0.00 +ATOM 17569 O WAT X5161 40.309 29.229 6.644 0.00 0.00 +ATOM 17570 H1 WAT X5161 39.716 29.938 6.392 0.00 0.00 +ATOM 17571 H2 WAT X5161 41.064 29.674 7.029 0.00 0.00 +ATOM 17572 O WAT X5162 8.523 42.853 1.094 0.00 0.00 +ATOM 17573 H1 WAT X5162 7.826 42.654 0.468 0.00 0.00 +ATOM 17574 H2 WAT X5162 9.166 43.350 0.587 0.00 0.00 +ATOM 17575 O WAT X5163 34.349 29.750 14.933 0.00 0.00 +ATOM 17576 H1 WAT X5163 34.760 29.537 14.095 0.00 0.00 +ATOM 17577 H2 WAT X5163 34.091 30.668 14.846 0.00 0.00 +ATOM 17578 O WAT X5164 37.220 19.430 13.027 0.00 0.00 +ATOM 17579 H1 WAT X5164 36.581 18.771 12.755 0.00 0.00 +ATOM 17580 H2 WAT X5164 36.743 20.258 12.984 0.00 0.00 +ATOM 17581 O WAT X5165 -0.163 9.446 42.806 0.00 0.00 +ATOM 17582 H1 WAT X5165 -0.043 9.421 41.857 0.00 0.00 +ATOM 17583 H2 WAT X5165 0.453 8.795 43.142 0.00 0.00 +ATOM 17584 O WAT X5166 39.309 8.108 26.499 0.00 0.00 +ATOM 17585 H1 WAT X5166 38.985 8.329 27.372 0.00 0.00 +ATOM 17586 H2 WAT X5166 38.836 7.309 26.263 0.00 0.00 +ATOM 17587 O WAT X5167 9.672 12.120 56.809 0.00 0.00 +ATOM 17588 H1 WAT X5167 9.107 11.397 56.536 0.00 0.00 +ATOM 17589 H2 WAT X5167 9.958 11.881 57.690 0.00 0.00 +ATOM 17590 O WAT X5168 74.298 3.864 22.975 0.00 0.00 +ATOM 17591 H1 WAT X5168 73.413 4.132 22.726 0.00 0.00 +ATOM 17592 H2 WAT X5168 74.241 3.695 23.915 0.00 0.00 +ATOM 17593 O WAT X5169 37.727 2.233 27.879 0.00 0.00 +ATOM 17594 H1 WAT X5169 38.373 2.035 28.557 0.00 0.00 +ATOM 17595 H2 WAT X5169 37.010 2.660 28.348 0.00 0.00 +ATOM 17596 O WAT X5170 56.909 8.366 3.847 0.00 0.00 +ATOM 17597 H1 WAT X5170 56.223 7.741 3.615 0.00 0.00 +ATOM 17598 H2 WAT X5170 57.725 7.874 3.748 0.00 0.00 +ATOM 17599 O WAT X5171 24.739 17.304 36.890 0.00 0.00 +ATOM 17600 H1 WAT X5171 23.866 16.934 37.022 0.00 0.00 +ATOM 17601 H2 WAT X5171 24.854 17.313 35.940 0.00 0.00 +ATOM 17602 O WAT X5172 25.834 36.534 41.218 0.00 0.00 +ATOM 17603 H1 WAT X5172 26.343 37.341 41.148 0.00 0.00 +ATOM 17604 H2 WAT X5172 26.244 35.937 40.593 0.00 0.00 +ATOM 17605 O WAT X5173 26.600 8.119 29.353 0.00 0.00 +ATOM 17606 H1 WAT X5173 27.143 7.586 29.934 0.00 0.00 +ATOM 17607 H2 WAT X5173 26.587 8.983 29.764 0.00 0.00 +ATOM 17608 O WAT X5174 45.828 53.541 36.192 0.00 0.00 +ATOM 17609 H1 WAT X5174 46.006 53.092 35.366 0.00 0.00 +ATOM 17610 H2 WAT X5174 46.694 53.751 36.542 0.00 0.00 +ATOM 17611 O WAT X5175 51.913 19.578 2.553 0.00 0.00 +ATOM 17612 H1 WAT X5175 51.153 19.595 3.135 0.00 0.00 +ATOM 17613 H2 WAT X5175 52.379 20.392 2.746 0.00 0.00 +ATOM 17614 O WAT X5176 60.121 8.623 28.326 0.00 0.00 +ATOM 17615 H1 WAT X5176 59.221 8.397 28.088 0.00 0.00 +ATOM 17616 H2 WAT X5176 60.059 8.932 29.230 0.00 0.00 +ATOM 17617 O WAT X5177 27.947 55.781 14.123 0.00 0.00 +ATOM 17618 H1 WAT X5177 27.570 55.493 13.291 0.00 0.00 +ATOM 17619 H2 WAT X5177 27.665 56.692 14.210 0.00 0.00 +ATOM 17620 O WAT X5178 37.412 50.030 21.439 0.00 0.00 +ATOM 17621 H1 WAT X5178 36.529 50.379 21.563 0.00 0.00 +ATOM 17622 H2 WAT X5178 37.398 49.181 21.881 0.00 0.00 +ATOM 17623 O WAT X5179 14.758 33.369 45.013 0.00 0.00 +ATOM 17624 H1 WAT X5179 15.239 34.105 45.391 0.00 0.00 +ATOM 17625 H2 WAT X5179 15.234 32.593 45.308 0.00 0.00 +ATOM 17626 O WAT X5180 43.940 61.940 32.217 0.00 0.00 +ATOM 17627 H1 WAT X5180 43.029 61.707 32.040 0.00 0.00 +ATOM 17628 H2 WAT X5180 44.451 61.305 31.715 0.00 0.00 +ATOM 17629 O WAT X5181 7.433 25.535 10.866 0.00 0.00 +ATOM 17630 H1 WAT X5181 8.271 25.926 10.618 0.00 0.00 +ATOM 17631 H2 WAT X5181 7.081 26.126 11.532 0.00 0.00 +ATOM 17632 O WAT X5182 12.398 37.851 24.131 0.00 0.00 +ATOM 17633 H1 WAT X5182 12.684 36.941 24.207 0.00 0.00 +ATOM 17634 H2 WAT X5182 11.447 37.814 24.236 0.00 0.00 +ATOM 17635 O WAT X5183 76.197 12.720 15.318 0.00 0.00 +ATOM 17636 H1 WAT X5183 76.569 13.390 14.744 0.00 0.00 +ATOM 17637 H2 WAT X5183 76.460 11.891 14.919 0.00 0.00 +ATOM 17638 O WAT X5184 23.915 61.293 34.669 0.00 0.00 +ATOM 17639 H1 WAT X5184 24.158 60.646 35.331 0.00 0.00 +ATOM 17640 H2 WAT X5184 24.526 62.017 34.805 0.00 0.00 +ATOM 17641 O WAT X5185 31.552 32.062 11.911 0.00 0.00 +ATOM 17642 H1 WAT X5185 31.991 31.488 11.283 0.00 0.00 +ATOM 17643 H2 WAT X5185 31.517 32.913 11.474 0.00 0.00 +ATOM 17644 O WAT X5186 69.973 40.682 35.530 0.00 0.00 +ATOM 17645 H1 WAT X5186 69.347 41.374 35.318 0.00 0.00 +ATOM 17646 H2 WAT X5186 70.795 41.145 35.693 0.00 0.00 +ATOM 17647 O WAT X5187 41.840 59.381 33.593 0.00 0.00 +ATOM 17648 H1 WAT X5187 42.735 59.169 33.327 0.00 0.00 +ATOM 17649 H2 WAT X5187 41.478 59.866 32.851 0.00 0.00 +ATOM 17650 O WAT X5188 67.887 50.285 57.243 0.00 0.00 +ATOM 17651 H1 WAT X5188 67.420 51.037 57.607 0.00 0.00 +ATOM 17652 H2 WAT X5188 67.302 49.543 57.397 0.00 0.00 +ATOM 17653 O WAT X5189 13.263 21.494 25.001 0.00 0.00 +ATOM 17654 H1 WAT X5189 12.392 21.848 25.176 0.00 0.00 +ATOM 17655 H2 WAT X5189 13.617 22.057 24.312 0.00 0.00 +ATOM 17656 O WAT X5190 11.808 40.038 20.760 0.00 0.00 +ATOM 17657 H1 WAT X5190 12.026 40.515 19.959 0.00 0.00 +ATOM 17658 H2 WAT X5190 11.017 39.547 20.538 0.00 0.00 +ATOM 17659 O WAT X5191 56.498 21.436 54.662 0.00 0.00 +ATOM 17660 H1 WAT X5191 56.991 20.785 54.163 0.00 0.00 +ATOM 17661 H2 WAT X5191 57.066 22.206 54.677 0.00 0.00 +ATOM 17662 O WAT X5192 26.347 25.358 12.314 0.00 0.00 +ATOM 17663 H1 WAT X5192 25.691 25.933 12.709 0.00 0.00 +ATOM 17664 H2 WAT X5192 26.778 25.903 11.656 0.00 0.00 +ATOM 17665 O WAT X5193 34.138 3.886 14.125 0.00 0.00 +ATOM 17666 H1 WAT X5193 34.311 4.408 14.908 0.00 0.00 +ATOM 17667 H2 WAT X5193 33.402 4.329 13.701 0.00 0.00 +ATOM 17668 O WAT X5194 71.658 8.615 1.474 0.00 0.00 +ATOM 17669 H1 WAT X5194 71.463 9.414 0.984 0.00 0.00 +ATOM 17670 H2 WAT X5194 71.138 8.692 2.274 0.00 0.00 +ATOM 17671 O WAT X5195 33.540 13.144 27.541 0.00 0.00 +ATOM 17672 H1 WAT X5195 33.648 12.391 28.122 0.00 0.00 +ATOM 17673 H2 WAT X5195 34.308 13.119 26.971 0.00 0.00 +ATOM 17674 O WAT X5196 37.963 30.533 18.393 0.00 0.00 +ATOM 17675 H1 WAT X5196 38.186 29.995 19.153 0.00 0.00 +ATOM 17676 H2 WAT X5196 37.050 30.783 18.536 0.00 0.00 +ATOM 17677 O WAT X5197 41.051 57.117 27.854 0.00 0.00 +ATOM 17678 H1 WAT X5197 40.249 57.632 27.772 0.00 0.00 +ATOM 17679 H2 WAT X5197 40.798 56.234 27.584 0.00 0.00 +ATOM 17680 O WAT X5198 45.370 12.679 43.989 0.00 0.00 +ATOM 17681 H1 WAT X5198 45.838 12.103 44.593 0.00 0.00 +ATOM 17682 H2 WAT X5198 45.753 12.491 43.132 0.00 0.00 +ATOM 17683 O WAT X5199 9.943 52.102 14.065 0.00 0.00 +ATOM 17684 H1 WAT X5199 9.715 51.458 14.735 0.00 0.00 +ATOM 17685 H2 WAT X5199 10.287 51.582 13.339 0.00 0.00 +ATOM 17686 O WAT X5200 50.413 56.590 29.371 0.00 0.00 +ATOM 17687 H1 WAT X5200 50.056 56.848 28.521 0.00 0.00 +ATOM 17688 H2 WAT X5200 51.084 55.940 29.163 0.00 0.00 +ATOM 17689 O WAT X5201 39.293 22.483 54.504 0.00 0.00 +ATOM 17690 H1 WAT X5201 38.792 21.821 54.981 0.00 0.00 +ATOM 17691 H2 WAT X5201 38.842 23.306 54.692 0.00 0.00 +ATOM 17692 O WAT X5202 27.303 60.971 30.808 0.00 0.00 +ATOM 17693 H1 WAT X5202 27.101 61.698 31.397 0.00 0.00 +ATOM 17694 H2 WAT X5202 27.075 60.187 31.308 0.00 0.00 +ATOM 17695 O WAT X5203 2.543 59.936 45.087 0.00 0.00 +ATOM 17696 H1 WAT X5203 3.349 60.332 44.756 0.00 0.00 +ATOM 17697 H2 WAT X5203 2.754 59.007 45.181 0.00 0.00 +ATOM 17698 O WAT X5204 8.219 54.955 49.816 0.00 0.00 +ATOM 17699 H1 WAT X5204 8.333 54.031 50.041 0.00 0.00 +ATOM 17700 H2 WAT X5204 7.818 54.942 48.947 0.00 0.00 +ATOM 17701 O WAT X5205 8.838 20.636 55.192 0.00 0.00 +ATOM 17702 H1 WAT X5205 8.700 21.386 55.770 0.00 0.00 +ATOM 17703 H2 WAT X5205 9.146 21.019 54.371 0.00 0.00 +ATOM 17704 O WAT X5206 36.429 49.841 52.041 0.00 0.00 +ATOM 17705 H1 WAT X5206 37.067 49.164 52.268 0.00 0.00 +ATOM 17706 H2 WAT X5206 36.731 50.179 51.198 0.00 0.00 +ATOM 17707 O WAT X5207 15.333 5.018 26.079 0.00 0.00 +ATOM 17708 H1 WAT X5207 14.461 4.680 25.874 0.00 0.00 +ATOM 17709 H2 WAT X5207 15.797 4.271 26.456 0.00 0.00 +ATOM 17710 O WAT X5208 38.562 8.336 10.656 0.00 0.00 +ATOM 17711 H1 WAT X5208 38.288 7.652 11.266 0.00 0.00 +ATOM 17712 H2 WAT X5208 38.867 9.049 11.218 0.00 0.00 +ATOM 17713 O WAT X5209 9.398 35.987 48.391 0.00 0.00 +ATOM 17714 H1 WAT X5209 8.589 36.235 48.838 0.00 0.00 +ATOM 17715 H2 WAT X5209 10.052 35.941 49.088 0.00 0.00 +ATOM 17716 O WAT X5210 69.573 43.203 1.515 0.00 0.00 +ATOM 17717 H1 WAT X5210 69.819 42.681 0.751 0.00 0.00 +ATOM 17718 H2 WAT X5210 69.076 43.936 1.154 0.00 0.00 +ATOM 17719 O WAT X5211 69.967 41.467 30.277 0.00 0.00 +ATOM 17720 H1 WAT X5211 70.248 42.261 29.822 0.00 0.00 +ATOM 17721 H2 WAT X5211 70.476 40.766 29.869 0.00 0.00 +ATOM 17722 O WAT X5212 58.523 50.804 28.591 0.00 0.00 +ATOM 17723 H1 WAT X5212 57.678 51.202 28.382 0.00 0.00 +ATOM 17724 H2 WAT X5212 58.305 50.056 29.146 0.00 0.00 +ATOM 17725 O WAT X5213 58.821 50.659 25.399 0.00 0.00 +ATOM 17726 H1 WAT X5213 59.427 49.922 25.478 0.00 0.00 +ATOM 17727 H2 WAT X5213 58.973 51.179 26.187 0.00 0.00 +ATOM 17728 O WAT X5214 46.092 50.092 43.505 0.00 0.00 +ATOM 17729 H1 WAT X5214 45.417 50.045 44.183 0.00 0.00 +ATOM 17730 H2 WAT X5214 45.623 49.917 42.689 0.00 0.00 +ATOM 17731 O WAT X5215 25.467 24.710 53.629 0.00 0.00 +ATOM 17732 H1 WAT X5215 26.023 24.833 52.859 0.00 0.00 +ATOM 17733 H2 WAT X5215 26.021 24.965 54.367 0.00 0.00 +ATOM 17734 O WAT X5216 46.241 2.642 10.379 0.00 0.00 +ATOM 17735 H1 WAT X5216 46.442 1.801 10.788 0.00 0.00 +ATOM 17736 H2 WAT X5216 46.286 2.468 9.439 0.00 0.00 +ATOM 17737 O WAT X5217 34.592 54.557 19.332 0.00 0.00 +ATOM 17738 H1 WAT X5217 35.010 54.874 18.531 0.00 0.00 +ATOM 17739 H2 WAT X5217 35.320 54.310 19.901 0.00 0.00 +ATOM 17740 O WAT X5218 30.203 40.557 14.218 0.00 0.00 +ATOM 17741 H1 WAT X5218 30.776 41.241 13.871 0.00 0.00 +ATOM 17742 H2 WAT X5218 29.533 41.033 14.709 0.00 0.00 +ATOM 17743 O WAT X5219 14.209 12.714 6.646 0.00 0.00 +ATOM 17744 H1 WAT X5219 14.335 13.481 6.087 0.00 0.00 +ATOM 17745 H2 WAT X5219 14.372 11.967 6.070 0.00 0.00 +ATOM 17746 O WAT X5220 47.704 3.881 40.502 0.00 0.00 +ATOM 17747 H1 WAT X5220 46.819 3.535 40.613 0.00 0.00 +ATOM 17748 H2 WAT X5220 48.277 3.131 40.661 0.00 0.00 +ATOM 17749 O WAT X5221 63.410 43.521 47.480 0.00 0.00 +ATOM 17750 H1 WAT X5221 63.415 43.278 48.406 0.00 0.00 +ATOM 17751 H2 WAT X5221 63.492 44.475 47.483 0.00 0.00 +ATOM 17752 O WAT X5222 52.867 8.153 32.742 0.00 0.00 +ATOM 17753 H1 WAT X5222 52.212 8.195 33.439 0.00 0.00 +ATOM 17754 H2 WAT X5222 53.561 8.747 33.030 0.00 0.00 +ATOM 17755 O WAT X5223 42.479 7.458 12.631 0.00 0.00 +ATOM 17756 H1 WAT X5223 43.200 8.069 12.787 0.00 0.00 +ATOM 17757 H2 WAT X5223 41.701 7.922 12.939 0.00 0.00 +ATOM 17758 O WAT X5224 7.600 37.788 54.653 0.00 0.00 +ATOM 17759 H1 WAT X5224 6.904 38.189 55.174 0.00 0.00 +ATOM 17760 H2 WAT X5224 7.845 37.003 55.144 0.00 0.00 +ATOM 17761 O WAT X5225 66.389 44.708 31.744 0.00 0.00 +ATOM 17762 H1 WAT X5225 66.870 43.882 31.724 0.00 0.00 +ATOM 17763 H2 WAT X5225 66.461 45.006 32.651 0.00 0.00 +ATOM 17764 O WAT X5226 37.675 13.191 36.799 0.00 0.00 +ATOM 17765 H1 WAT X5226 37.413 12.859 37.657 0.00 0.00 +ATOM 17766 H2 WAT X5226 37.210 14.023 36.712 0.00 0.00 +ATOM 17767 O WAT X5227 44.962 45.042 7.438 0.00 0.00 +ATOM 17768 H1 WAT X5227 45.826 44.643 7.544 0.00 0.00 +ATOM 17769 H2 WAT X5227 45.045 45.904 7.846 0.00 0.00 +ATOM 17770 O WAT X5228 38.068 61.642 49.288 0.00 0.00 +ATOM 17771 H1 WAT X5228 37.521 61.889 50.033 0.00 0.00 +ATOM 17772 H2 WAT X5228 37.454 61.558 48.558 0.00 0.00 +ATOM 17773 O WAT X5229 6.057 59.469 9.118 0.00 0.00 +ATOM 17774 H1 WAT X5229 5.630 60.057 9.741 0.00 0.00 +ATOM 17775 H2 WAT X5229 6.937 59.831 9.011 0.00 0.00 +ATOM 17776 O WAT X5230 28.594 44.195 10.379 0.00 0.00 +ATOM 17777 H1 WAT X5230 28.500 44.817 9.657 0.00 0.00 +ATOM 17778 H2 WAT X5230 29.526 44.217 10.593 0.00 0.00 +ATOM 17779 O WAT X5231 49.902 14.670 44.241 0.00 0.00 +ATOM 17780 H1 WAT X5231 49.483 13.836 44.029 0.00 0.00 +ATOM 17781 H2 WAT X5231 50.460 14.474 44.994 0.00 0.00 +ATOM 17782 O WAT X5232 30.020 19.696 2.722 0.00 0.00 +ATOM 17783 H1 WAT X5232 30.551 18.969 2.399 0.00 0.00 +ATOM 17784 H2 WAT X5232 29.331 19.800 2.066 0.00 0.00 +ATOM 17785 O WAT X5233 13.452 11.790 10.342 0.00 0.00 +ATOM 17786 H1 WAT X5233 12.814 11.527 9.678 0.00 0.00 +ATOM 17787 H2 WAT X5233 14.303 11.624 9.936 0.00 0.00 +ATOM 17788 O WAT X5234 29.146 41.698 37.342 0.00 0.00 +ATOM 17789 H1 WAT X5234 28.337 41.773 36.836 0.00 0.00 +ATOM 17790 H2 WAT X5234 28.882 41.877 38.245 0.00 0.00 +ATOM 17791 O WAT X5235 44.698 8.047 15.903 0.00 0.00 +ATOM 17792 H1 WAT X5235 44.789 7.577 15.074 0.00 0.00 +ATOM 17793 H2 WAT X5235 43.895 8.557 15.802 0.00 0.00 +ATOM 17794 O WAT X5236 65.565 33.716 21.663 0.00 0.00 +ATOM 17795 H1 WAT X5236 65.354 33.602 22.589 0.00 0.00 +ATOM 17796 H2 WAT X5236 64.928 34.358 21.349 0.00 0.00 +ATOM 17797 O WAT X5237 51.792 60.100 41.056 0.00 0.00 +ATOM 17798 H1 WAT X5237 51.613 59.882 41.971 0.00 0.00 +ATOM 17799 H2 WAT X5237 52.669 60.482 41.068 0.00 0.00 +ATOM 17800 O WAT X5238 49.500 58.163 48.255 0.00 0.00 +ATOM 17801 H1 WAT X5238 50.094 57.638 47.719 0.00 0.00 +ATOM 17802 H2 WAT X5238 49.167 58.833 47.657 0.00 0.00 +ATOM 17803 O WAT X5239 65.580 40.107 17.223 0.00 0.00 +ATOM 17804 H1 WAT X5239 66.515 39.922 17.129 0.00 0.00 +ATOM 17805 H2 WAT X5239 65.150 39.449 16.677 0.00 0.00 +ATOM 17806 O WAT X5240 22.869 25.101 8.621 0.00 0.00 +ATOM 17807 H1 WAT X5240 22.601 25.496 7.791 0.00 0.00 +ATOM 17808 H2 WAT X5240 23.293 24.280 8.369 0.00 0.00 +ATOM 17809 O WAT X5241 7.832 35.390 6.315 0.00 0.00 +ATOM 17810 H1 WAT X5241 7.055 34.866 6.120 0.00 0.00 +ATOM 17811 H2 WAT X5241 7.560 35.965 7.030 0.00 0.00 +ATOM 17812 O WAT X5242 60.726 24.737 26.224 0.00 0.00 +ATOM 17813 H1 WAT X5242 60.243 24.335 25.502 0.00 0.00 +ATOM 17814 H2 WAT X5242 61.628 24.793 25.906 0.00 0.00 +ATOM 17815 O WAT X5243 28.654 57.826 21.016 0.00 0.00 +ATOM 17816 H1 WAT X5243 28.821 57.550 21.917 0.00 0.00 +ATOM 17817 H2 WAT X5243 28.244 57.065 20.605 0.00 0.00 +ATOM 17818 O WAT X5244 33.959 54.913 54.222 0.00 0.00 +ATOM 17819 H1 WAT X5244 34.410 54.107 54.476 0.00 0.00 +ATOM 17820 H2 WAT X5244 33.029 54.707 54.315 0.00 0.00 +ATOM 17821 O WAT X5245 31.140 30.535 1.768 0.00 0.00 +ATOM 17822 H1 WAT X5245 30.511 31.249 1.658 0.00 0.00 +ATOM 17823 H2 WAT X5245 31.760 30.861 2.420 0.00 0.00 +ATOM 17824 O WAT X5246 42.511 57.316 38.442 0.00 0.00 +ATOM 17825 H1 WAT X5246 43.060 58.054 38.178 0.00 0.00 +ATOM 17826 H2 WAT X5246 42.421 56.788 37.648 0.00 0.00 +ATOM 17827 O WAT X5247 63.306 12.875 19.260 0.00 0.00 +ATOM 17828 H1 WAT X5247 62.933 12.818 20.139 0.00 0.00 +ATOM 17829 H2 WAT X5247 63.426 13.812 19.111 0.00 0.00 +ATOM 17830 O WAT X5248 24.457 8.050 34.879 0.00 0.00 +ATOM 17831 H1 WAT X5248 24.653 7.136 34.674 0.00 0.00 +ATOM 17832 H2 WAT X5248 23.501 8.096 34.880 0.00 0.00 +ATOM 17833 O WAT X5249 46.926 21.019 11.021 0.00 0.00 +ATOM 17834 H1 WAT X5249 47.604 21.456 10.504 0.00 0.00 +ATOM 17835 H2 WAT X5249 46.949 21.462 11.869 0.00 0.00 +ATOM 17836 O WAT X5250 46.141 61.486 36.141 0.00 0.00 +ATOM 17837 H1 WAT X5250 45.822 60.843 35.508 0.00 0.00 +ATOM 17838 H2 WAT X5250 45.435 62.128 36.208 0.00 0.00 +ATOM 17839 O WAT X5251 50.366 1.447 51.895 0.00 0.00 +ATOM 17840 H1 WAT X5251 50.942 1.040 52.542 0.00 0.00 +ATOM 17841 H2 WAT X5251 49.660 0.813 51.771 0.00 0.00 +ATOM 17842 O WAT X5252 49.850 1.621 27.038 0.00 0.00 +ATOM 17843 H1 WAT X5252 50.001 0.690 27.206 0.00 0.00 +ATOM 17844 H2 WAT X5252 50.351 2.071 27.717 0.00 0.00 +ATOM 17845 O WAT X5253 69.993 59.032 5.901 0.00 0.00 +ATOM 17846 H1 WAT X5253 69.057 58.858 5.808 0.00 0.00 +ATOM 17847 H2 WAT X5253 70.054 59.984 5.979 0.00 0.00 +ATOM 17848 O WAT X5254 2.563 55.777 48.296 0.00 0.00 +ATOM 17849 H1 WAT X5254 3.330 56.072 48.786 0.00 0.00 +ATOM 17850 H2 WAT X5254 2.390 56.484 47.674 0.00 0.00 +ATOM 17851 O WAT X5255 26.411 49.975 53.402 0.00 0.00 +ATOM 17852 H1 WAT X5255 27.164 49.450 53.130 0.00 0.00 +ATOM 17853 H2 WAT X5255 26.795 50.763 53.787 0.00 0.00 +ATOM 17854 O WAT X5256 8.709 63.092 19.310 0.00 0.00 +ATOM 17855 H1 WAT X5256 9.321 62.397 19.550 0.00 0.00 +ATOM 17856 H2 WAT X5256 7.885 62.637 19.137 0.00 0.00 +ATOM 17857 O WAT X5257 37.525 41.879 15.998 0.00 0.00 +ATOM 17858 H1 WAT X5257 36.741 41.722 16.525 0.00 0.00 +ATOM 17859 H2 WAT X5257 38.238 41.914 16.635 0.00 0.00 +ATOM 17860 O WAT X5258 53.282 4.299 56.442 0.00 0.00 +ATOM 17861 H1 WAT X5258 53.593 5.045 55.929 0.00 0.00 +ATOM 17862 H2 WAT X5258 52.455 4.052 56.027 0.00 0.00 +ATOM 17863 O WAT X5259 72.562 55.001 33.484 0.00 0.00 +ATOM 17864 H1 WAT X5259 72.812 54.751 34.374 0.00 0.00 +ATOM 17865 H2 WAT X5259 71.625 55.187 33.542 0.00 0.00 +ATOM 17866 O WAT X5260 52.675 0.843 16.705 0.00 0.00 +ATOM 17867 H1 WAT X5260 52.730 1.787 16.555 0.00 0.00 +ATOM 17868 H2 WAT X5260 52.609 0.465 15.828 0.00 0.00 +ATOM 17869 O WAT X5261 43.280 12.549 31.210 0.00 0.00 +ATOM 17870 H1 WAT X5261 43.928 12.170 30.616 0.00 0.00 +ATOM 17871 H2 WAT X5261 43.125 11.866 31.862 0.00 0.00 +ATOM 17872 O WAT X5262 61.047 5.939 42.998 0.00 0.00 +ATOM 17873 H1 WAT X5262 60.666 5.122 43.320 0.00 0.00 +ATOM 17874 H2 WAT X5262 60.326 6.376 42.543 0.00 0.00 +ATOM 17875 O WAT X5263 61.541 13.317 21.687 0.00 0.00 +ATOM 17876 H1 WAT X5263 61.275 14.234 21.758 0.00 0.00 +ATOM 17877 H2 WAT X5263 60.987 12.959 20.994 0.00 0.00 +ATOM 17878 O WAT X5264 52.168 5.621 17.400 0.00 0.00 +ATOM 17879 H1 WAT X5264 52.083 6.164 18.184 0.00 0.00 +ATOM 17880 H2 WAT X5264 53.076 5.318 17.416 0.00 0.00 +ATOM 17881 O WAT X5265 33.930 40.537 2.923 0.00 0.00 +ATOM 17882 H1 WAT X5265 33.263 40.032 2.457 0.00 0.00 +ATOM 17883 H2 WAT X5265 34.091 40.039 3.724 0.00 0.00 +ATOM 17884 O WAT X5266 68.831 31.772 57.160 0.00 0.00 +ATOM 17885 H1 WAT X5266 69.306 30.941 57.149 0.00 0.00 +ATOM 17886 H2 WAT X5266 69.469 32.418 56.857 0.00 0.00 +ATOM 17887 O WAT X5267 38.448 60.941 35.216 0.00 0.00 +ATOM 17888 H1 WAT X5267 37.813 61.543 34.827 0.00 0.00 +ATOM 17889 H2 WAT X5267 38.081 60.729 36.075 0.00 0.00 +ATOM 17890 O WAT X5268 12.926 60.695 33.475 0.00 0.00 +ATOM 17891 H1 WAT X5268 12.107 60.667 32.981 0.00 0.00 +ATOM 17892 H2 WAT X5268 13.557 61.087 32.871 0.00 0.00 +ATOM 17893 O WAT X5269 48.914 42.398 56.038 0.00 0.00 +ATOM 17894 H1 WAT X5269 48.179 42.691 55.499 0.00 0.00 +ATOM 17895 H2 WAT X5269 48.538 41.738 56.619 0.00 0.00 +ATOM 17896 O WAT X5270 45.223 51.369 4.436 0.00 0.00 +ATOM 17897 H1 WAT X5270 45.587 52.175 4.801 0.00 0.00 +ATOM 17898 H2 WAT X5270 44.675 51.014 5.136 0.00 0.00 +ATOM 17899 O WAT X5271 69.874 19.648 56.338 0.00 0.00 +ATOM 17900 H1 WAT X5271 69.993 19.248 55.477 0.00 0.00 +ATOM 17901 H2 WAT X5271 70.649 20.196 56.458 0.00 0.00 +ATOM 17902 O WAT X5272 76.986 54.749 54.153 0.00 0.00 +ATOM 17903 H1 WAT X5272 77.436 54.777 54.997 0.00 0.00 +ATOM 17904 H2 WAT X5272 77.532 55.279 53.573 0.00 0.00 +ATOM 17905 O WAT X5273 26.262 13.086 32.440 0.00 0.00 +ATOM 17906 H1 WAT X5273 25.454 13.021 31.930 0.00 0.00 +ATOM 17907 H2 WAT X5273 25.966 13.172 33.347 0.00 0.00 +ATOM 17908 O WAT X5274 61.270 34.785 35.241 0.00 0.00 +ATOM 17909 H1 WAT X5274 60.833 33.973 35.498 0.00 0.00 +ATOM 17910 H2 WAT X5274 62.179 34.530 35.086 0.00 0.00 +ATOM 17911 O WAT X5275 6.342 0.539 1.233 0.00 0.00 +ATOM 17912 H1 WAT X5275 7.215 0.311 0.913 0.00 0.00 +ATOM 17913 H2 WAT X5275 5.863 0.807 0.449 0.00 0.00 +ATOM 17914 O WAT X5276 74.404 34.682 57.387 0.00 0.00 +ATOM 17915 H1 WAT X5276 74.368 35.369 56.722 0.00 0.00 +ATOM 17916 H2 WAT X5276 75.221 34.848 57.859 0.00 0.00 +ATOM 17917 O WAT X5277 44.404 47.788 16.190 0.00 0.00 +ATOM 17918 H1 WAT X5277 44.458 48.631 15.740 0.00 0.00 +ATOM 17919 H2 WAT X5277 44.135 47.170 15.510 0.00 0.00 +ATOM 17920 O WAT X5278 32.349 10.479 48.759 0.00 0.00 +ATOM 17921 H1 WAT X5278 32.933 10.743 48.048 0.00 0.00 +ATOM 17922 H2 WAT X5278 31.497 10.362 48.338 0.00 0.00 +ATOM 17923 O WAT X5279 7.964 26.346 56.563 0.00 0.00 +ATOM 17924 H1 WAT X5279 7.301 26.611 55.925 0.00 0.00 +ATOM 17925 H2 WAT X5279 8.786 26.684 56.208 0.00 0.00 +ATOM 17926 O WAT X5280 31.137 45.868 45.094 0.00 0.00 +ATOM 17927 H1 WAT X5280 31.553 46.633 45.491 0.00 0.00 +ATOM 17928 H2 WAT X5280 30.692 45.433 45.821 0.00 0.00 +ATOM 17929 O WAT X5281 44.007 16.830 45.562 0.00 0.00 +ATOM 17930 H1 WAT X5281 43.803 15.987 45.157 0.00 0.00 +ATOM 17931 H2 WAT X5281 44.398 17.346 44.857 0.00 0.00 +ATOM 17932 O WAT X5282 45.844 45.747 56.048 0.00 0.00 +ATOM 17933 H1 WAT X5282 46.378 44.957 55.968 0.00 0.00 +ATOM 17934 H2 WAT X5282 46.479 46.460 56.111 0.00 0.00 +ATOM 17935 O WAT X5283 21.126 47.720 40.391 0.00 0.00 +ATOM 17936 H1 WAT X5283 21.195 46.898 40.876 0.00 0.00 +ATOM 17937 H2 WAT X5283 21.810 48.276 40.764 0.00 0.00 +ATOM 17938 O WAT X5284 36.415 9.967 51.375 0.00 0.00 +ATOM 17939 H1 WAT X5284 36.895 9.397 51.976 0.00 0.00 +ATOM 17940 H2 WAT X5284 35.658 10.264 51.881 0.00 0.00 +ATOM 17941 O WAT X5285 60.022 21.838 9.596 0.00 0.00 +ATOM 17942 H1 WAT X5285 59.256 21.440 9.181 0.00 0.00 +ATOM 17943 H2 WAT X5285 59.735 22.720 9.834 0.00 0.00 +ATOM 17944 O WAT X5286 17.195 1.663 12.568 0.00 0.00 +ATOM 17945 H1 WAT X5286 17.759 1.903 11.833 0.00 0.00 +ATOM 17946 H2 WAT X5286 16.419 1.279 12.160 0.00 0.00 +ATOM 17947 O WAT X5287 20.251 60.653 27.741 0.00 0.00 +ATOM 17948 H1 WAT X5287 20.201 61.518 27.335 0.00 0.00 +ATOM 17949 H2 WAT X5287 20.899 60.180 27.219 0.00 0.00 +ATOM 17950 O WAT X5288 66.679 8.947 18.957 0.00 0.00 +ATOM 17951 H1 WAT X5288 65.896 9.355 18.588 0.00 0.00 +ATOM 17952 H2 WAT X5288 67.144 9.665 19.386 0.00 0.00 +ATOM 17953 O WAT X5289 47.060 43.320 42.534 0.00 0.00 +ATOM 17954 H1 WAT X5289 47.405 44.148 42.200 0.00 0.00 +ATOM 17955 H2 WAT X5289 47.300 43.316 43.460 0.00 0.00 +ATOM 17956 O WAT X5290 27.428 22.925 17.455 0.00 0.00 +ATOM 17957 H1 WAT X5290 27.431 21.969 17.404 0.00 0.00 +ATOM 17958 H2 WAT X5290 28.257 23.144 17.881 0.00 0.00 +ATOM 17959 O WAT X5291 42.838 1.245 40.088 0.00 0.00 +ATOM 17960 H1 WAT X5291 42.635 0.724 40.864 0.00 0.00 +ATOM 17961 H2 WAT X5291 42.493 0.732 39.358 0.00 0.00 +ATOM 17962 O WAT X5292 73.970 42.576 1.343 0.00 0.00 +ATOM 17963 H1 WAT X5292 73.102 42.796 1.681 0.00 0.00 +ATOM 17964 H2 WAT X5292 74.487 42.375 2.122 0.00 0.00 +ATOM 17965 O WAT X5293 55.951 6.341 23.639 0.00 0.00 +ATOM 17966 H1 WAT X5293 56.429 5.543 23.867 0.00 0.00 +ATOM 17967 H2 WAT X5293 55.136 6.029 23.247 0.00 0.00 +ATOM 17968 O WAT X5294 53.089 45.103 55.557 0.00 0.00 +ATOM 17969 H1 WAT X5294 53.681 44.563 55.034 0.00 0.00 +ATOM 17970 H2 WAT X5294 52.408 44.497 55.851 0.00 0.00 +ATOM 17971 O WAT X5295 76.566 34.419 14.699 0.00 0.00 +ATOM 17972 H1 WAT X5295 76.996 33.568 14.626 0.00 0.00 +ATOM 17973 H2 WAT X5295 75.798 34.349 14.132 0.00 0.00 +ATOM 17974 O WAT X5296 14.263 6.704 45.831 0.00 0.00 +ATOM 17975 H1 WAT X5296 14.398 6.965 46.742 0.00 0.00 +ATOM 17976 H2 WAT X5296 13.335 6.870 45.669 0.00 0.00 +ATOM 17977 O WAT X5297 25.601 24.884 47.874 0.00 0.00 +ATOM 17978 H1 WAT X5297 25.760 25.727 47.449 0.00 0.00 +ATOM 17979 H2 WAT X5297 24.922 24.471 47.340 0.00 0.00 +ATOM 17980 O WAT X5298 32.488 19.910 3.765 0.00 0.00 +ATOM 17981 H1 WAT X5298 31.625 19.696 3.410 0.00 0.00 +ATOM 17982 H2 WAT X5298 32.727 19.147 4.291 0.00 0.00 +ATOM 17983 O WAT X5299 27.630 24.603 1.270 0.00 0.00 +ATOM 17984 H1 WAT X5299 27.801 23.825 0.739 0.00 0.00 +ATOM 17985 H2 WAT X5299 27.057 24.292 1.972 0.00 0.00 +ATOM 17986 O WAT X5300 48.092 27.412 15.812 0.00 0.00 +ATOM 17987 H1 WAT X5300 48.721 28.130 15.735 0.00 0.00 +ATOM 17988 H2 WAT X5300 48.353 26.792 15.131 0.00 0.00 +ATOM 17989 O WAT X5301 22.563 2.791 27.631 0.00 0.00 +ATOM 17990 H1 WAT X5301 22.350 2.330 26.820 0.00 0.00 +ATOM 17991 H2 WAT X5301 22.243 2.214 28.325 0.00 0.00 +ATOM 17992 O WAT X5302 54.441 59.878 2.843 0.00 0.00 +ATOM 17993 H1 WAT X5302 55.092 60.179 3.477 0.00 0.00 +ATOM 17994 H2 WAT X5302 53.871 59.295 3.344 0.00 0.00 +ATOM 17995 O WAT X5303 43.939 3.486 25.219 0.00 0.00 +ATOM 17996 H1 WAT X5303 43.223 3.762 24.646 0.00 0.00 +ATOM 17997 H2 WAT X5303 43.823 4.006 26.014 0.00 0.00 +ATOM 17998 O WAT X5304 11.506 1.733 11.906 0.00 0.00 +ATOM 17999 H1 WAT X5304 11.121 1.188 11.220 0.00 0.00 +ATOM 18000 H2 WAT X5304 11.415 1.213 12.705 0.00 0.00 +ATOM 18001 O WAT X5305 73.115 33.811 53.863 0.00 0.00 +ATOM 18002 H1 WAT X5305 74.027 34.099 53.869 0.00 0.00 +ATOM 18003 H2 WAT X5305 72.610 34.615 53.743 0.00 0.00 +ATOM 18004 O WAT X5306 41.190 35.087 8.574 0.00 0.00 +ATOM 18005 H1 WAT X5306 40.674 35.822 8.904 0.00 0.00 +ATOM 18006 H2 WAT X5306 42.031 35.475 8.329 0.00 0.00 +ATOM 18007 O WAT X5307 62.057 2.037 1.246 0.00 0.00 +ATOM 18008 H1 WAT X5307 62.825 1.793 0.729 0.00 0.00 +ATOM 18009 H2 WAT X5307 61.698 2.801 0.796 0.00 0.00 +ATOM 18010 O WAT X5308 55.385 2.622 56.749 0.00 0.00 +ATOM 18011 H1 WAT X5308 55.743 3.378 56.283 0.00 0.00 +ATOM 18012 H2 WAT X5308 54.440 2.775 56.761 0.00 0.00 +ATOM 18013 O WAT X5309 53.267 11.395 6.765 0.00 0.00 +ATOM 18014 H1 WAT X5309 53.288 10.768 7.488 0.00 0.00 +ATOM 18015 H2 WAT X5309 52.872 10.911 6.040 0.00 0.00 +ATOM 18016 O WAT X5310 16.834 5.427 1.786 0.00 0.00 +ATOM 18017 H1 WAT X5310 16.452 4.732 1.250 0.00 0.00 +ATOM 18018 H2 WAT X5310 17.652 5.053 2.114 0.00 0.00 +ATOM 18019 O WAT X5311 26.685 63.051 42.909 0.00 0.00 +ATOM 18020 H1 WAT X5311 27.461 62.577 42.608 0.00 0.00 +ATOM 18021 H2 WAT X5311 26.619 62.835 43.839 0.00 0.00 +ATOM 18022 O WAT X5312 39.696 59.645 22.166 0.00 0.00 +ATOM 18023 H1 WAT X5312 38.879 59.794 21.690 0.00 0.00 +ATOM 18024 H2 WAT X5312 40.371 59.638 21.487 0.00 0.00 +ATOM 18025 O WAT X5313 76.986 5.327 18.694 0.00 0.00 +ATOM 18026 H1 WAT X5313 76.498 5.247 19.514 0.00 0.00 +ATOM 18027 H2 WAT X5313 77.885 5.094 18.926 0.00 0.00 +ATOM 18028 O WAT X5314 20.374 51.127 37.991 0.00 0.00 +ATOM 18029 H1 WAT X5314 21.032 51.111 38.687 0.00 0.00 +ATOM 18030 H2 WAT X5314 19.553 50.912 38.434 0.00 0.00 +ATOM 18031 O WAT X5315 19.317 9.047 33.650 0.00 0.00 +ATOM 18032 H1 WAT X5315 19.648 8.302 33.148 0.00 0.00 +ATOM 18033 H2 WAT X5315 18.628 9.418 33.100 0.00 0.00 +ATOM 18034 O WAT X5316 1.288 56.683 17.882 0.00 0.00 +ATOM 18035 H1 WAT X5316 1.079 55.750 17.929 0.00 0.00 +ATOM 18036 H2 WAT X5316 1.376 56.955 18.796 0.00 0.00 +ATOM 18037 O WAT X5317 14.210 45.938 39.526 0.00 0.00 +ATOM 18038 H1 WAT X5317 14.103 46.311 38.651 0.00 0.00 +ATOM 18039 H2 WAT X5317 14.938 46.428 39.908 0.00 0.00 +ATOM 18040 O WAT X5318 49.919 29.344 0.256 0.00 0.00 +ATOM 18041 H1 WAT X5318 50.482 28.580 0.384 0.00 0.00 +ATOM 18042 H2 WAT X5318 49.233 29.249 0.917 0.00 0.00 +ATOM 18043 O WAT X5319 32.817 51.412 6.416 0.00 0.00 +ATOM 18044 H1 WAT X5319 33.503 50.780 6.201 0.00 0.00 +ATOM 18045 H2 WAT X5319 32.076 51.158 5.865 0.00 0.00 +ATOM 18046 O WAT X5320 68.382 13.273 36.489 0.00 0.00 +ATOM 18047 H1 WAT X5320 68.072 13.275 35.584 0.00 0.00 +ATOM 18048 H2 WAT X5320 68.744 12.396 36.617 0.00 0.00 +ATOM 18049 O WAT X5321 46.905 60.290 14.901 0.00 0.00 +ATOM 18050 H1 WAT X5321 47.847 60.279 14.730 0.00 0.00 +ATOM 18051 H2 WAT X5321 46.724 61.187 15.182 0.00 0.00 +ATOM 18052 O WAT X5322 35.141 23.313 22.539 0.00 0.00 +ATOM 18053 H1 WAT X5322 35.780 22.854 21.994 0.00 0.00 +ATOM 18054 H2 WAT X5322 34.383 23.435 21.967 0.00 0.00 +ATOM 18055 O WAT X5323 29.930 27.965 19.205 0.00 0.00 +ATOM 18056 H1 WAT X5323 30.646 28.450 19.616 0.00 0.00 +ATOM 18057 H2 WAT X5323 29.662 27.327 19.866 0.00 0.00 +ATOM 18058 O WAT X5324 66.076 24.065 33.951 0.00 0.00 +ATOM 18059 H1 WAT X5324 66.484 23.930 34.806 0.00 0.00 +ATOM 18060 H2 WAT X5324 65.667 23.224 33.745 0.00 0.00 +ATOM 18061 O WAT X5325 68.201 1.304 18.716 0.00 0.00 +ATOM 18062 H1 WAT X5325 69.084 1.151 19.053 0.00 0.00 +ATOM 18063 H2 WAT X5325 68.314 1.979 18.046 0.00 0.00 +ATOM 18064 O WAT X5326 15.425 37.239 41.391 0.00 0.00 +ATOM 18065 H1 WAT X5326 15.968 36.607 40.919 0.00 0.00 +ATOM 18066 H2 WAT X5326 14.526 36.982 41.185 0.00 0.00 +ATOM 18067 O WAT X5327 44.099 20.980 20.684 0.00 0.00 +ATOM 18068 H1 WAT X5327 43.345 21.527 20.901 0.00 0.00 +ATOM 18069 H2 WAT X5327 43.736 20.099 20.586 0.00 0.00 +ATOM 18070 O WAT X5328 65.710 2.544 46.922 0.00 0.00 +ATOM 18071 H1 WAT X5328 65.261 1.824 47.364 0.00 0.00 +ATOM 18072 H2 WAT X5328 66.302 2.901 47.584 0.00 0.00 +ATOM 18073 O WAT X5329 77.338 58.239 2.072 0.00 0.00 +ATOM 18074 H1 WAT X5329 77.357 59.164 2.317 0.00 0.00 +ATOM 18075 H2 WAT X5329 77.351 57.770 2.906 0.00 0.00 +ATOM 18076 O WAT X5330 11.897 62.370 5.501 0.00 0.00 +ATOM 18077 H1 WAT X5330 12.039 62.113 6.412 0.00 0.00 +ATOM 18078 H2 WAT X5330 10.996 62.692 5.480 0.00 0.00 +ATOM 18079 O WAT X5331 45.838 8.361 29.172 0.00 0.00 +ATOM 18080 H1 WAT X5331 46.377 8.417 28.383 0.00 0.00 +ATOM 18081 H2 WAT X5331 46.079 7.524 29.568 0.00 0.00 +ATOM 18082 O WAT X5332 15.075 61.152 31.669 0.00 0.00 +ATOM 18083 H1 WAT X5332 15.551 60.368 31.944 0.00 0.00 +ATOM 18084 H2 WAT X5332 14.655 60.900 30.846 0.00 0.00 +ATOM 18085 O WAT X5333 26.501 21.990 55.379 0.00 0.00 +ATOM 18086 H1 WAT X5333 26.667 22.890 55.660 0.00 0.00 +ATOM 18087 H2 WAT X5333 26.025 22.080 54.553 0.00 0.00 +ATOM 18088 O WAT X5334 76.318 45.725 18.836 0.00 0.00 +ATOM 18089 H1 WAT X5334 77.186 45.610 18.451 0.00 0.00 +ATOM 18090 H2 WAT X5334 75.758 45.119 18.351 0.00 0.00 +ATOM 18091 O WAT X5335 5.395 14.064 18.029 0.00 0.00 +ATOM 18092 H1 WAT X5335 4.441 13.990 18.039 0.00 0.00 +ATOM 18093 H2 WAT X5335 5.702 13.273 18.473 0.00 0.00 +ATOM 18094 O WAT X5336 53.386 41.934 13.418 0.00 0.00 +ATOM 18095 H1 WAT X5336 52.743 41.499 12.857 0.00 0.00 +ATOM 18096 H2 WAT X5336 53.365 41.437 14.236 0.00 0.00 +ATOM 18097 O WAT X5337 72.305 13.541 6.254 0.00 0.00 +ATOM 18098 H1 WAT X5337 72.558 13.275 7.138 0.00 0.00 +ATOM 18099 H2 WAT X5337 71.363 13.701 6.313 0.00 0.00 +ATOM 18100 O WAT X5338 67.022 50.252 50.067 0.00 0.00 +ATOM 18101 H1 WAT X5338 66.785 49.345 49.870 0.00 0.00 +ATOM 18102 H2 WAT X5338 66.500 50.774 49.459 0.00 0.00 +ATOM 18103 O WAT X5339 59.307 63.053 52.974 0.00 0.00 +ATOM 18104 H1 WAT X5339 59.367 62.728 53.872 0.00 0.00 +ATOM 18105 H2 WAT X5339 58.417 62.835 52.699 0.00 0.00 +ATOM 18106 O WAT X5340 60.517 32.332 51.788 0.00 0.00 +ATOM 18107 H1 WAT X5340 60.679 32.964 52.489 0.00 0.00 +ATOM 18108 H2 WAT X5340 61.190 32.521 51.135 0.00 0.00 +ATOM 18109 O WAT X5341 51.757 49.161 11.697 0.00 0.00 +ATOM 18110 H1 WAT X5341 52.112 48.670 12.438 0.00 0.00 +ATOM 18111 H2 WAT X5341 52.275 48.870 10.946 0.00 0.00 +ATOM 18112 O WAT X5342 26.442 58.603 51.078 0.00 0.00 +ATOM 18113 H1 WAT X5342 26.515 58.087 51.881 0.00 0.00 +ATOM 18114 H2 WAT X5342 27.309 58.545 50.676 0.00 0.00 +ATOM 18115 O WAT X5343 41.464 10.682 10.392 0.00 0.00 +ATOM 18116 H1 WAT X5343 41.681 11.554 10.722 0.00 0.00 +ATOM 18117 H2 WAT X5343 41.263 10.819 9.466 0.00 0.00 +ATOM 18118 O WAT X5344 46.415 18.153 12.201 0.00 0.00 +ATOM 18119 H1 WAT X5344 46.772 18.778 11.571 0.00 0.00 +ATOM 18120 H2 WAT X5344 45.507 18.026 11.924 0.00 0.00 +ATOM 18121 O WAT X5345 39.197 13.779 25.914 0.00 0.00 +ATOM 18122 H1 WAT X5345 39.304 12.830 25.973 0.00 0.00 +ATOM 18123 H2 WAT X5345 39.860 14.132 26.508 0.00 0.00 +ATOM 18124 O WAT X5346 7.880 44.992 41.509 0.00 0.00 +ATOM 18125 H1 WAT X5346 7.803 44.084 41.801 0.00 0.00 +ATOM 18126 H2 WAT X5346 7.683 45.512 42.288 0.00 0.00 +ATOM 18127 O WAT X5347 74.897 11.778 44.415 0.00 0.00 +ATOM 18128 H1 WAT X5347 74.883 12.735 44.384 0.00 0.00 +ATOM 18129 H2 WAT X5347 75.819 11.556 44.546 0.00 0.00 +ATOM 18130 O WAT X5348 40.561 23.891 3.857 0.00 0.00 +ATOM 18131 H1 WAT X5348 41.391 24.068 3.415 0.00 0.00 +ATOM 18132 H2 WAT X5348 40.111 24.736 3.869 0.00 0.00 +ATOM 18133 O WAT X5349 48.188 6.132 41.650 0.00 0.00 +ATOM 18134 H1 WAT X5349 47.960 5.381 41.101 0.00 0.00 +ATOM 18135 H2 WAT X5349 48.823 5.787 42.277 0.00 0.00 +ATOM 18136 O WAT X5350 66.296 29.442 55.000 0.00 0.00 +ATOM 18137 H1 WAT X5350 66.952 29.916 54.489 0.00 0.00 +ATOM 18138 H2 WAT X5350 65.523 29.418 54.435 0.00 0.00 +ATOM 18139 O WAT X5351 58.633 14.096 57.595 0.00 0.00 +ATOM 18140 H1 WAT X5351 58.394 14.467 58.444 0.00 0.00 +ATOM 18141 H2 WAT X5351 58.350 13.183 57.644 0.00 0.00 +ATOM 18142 O WAT X5352 75.805 3.674 9.000 0.00 0.00 +ATOM 18143 H1 WAT X5352 76.632 4.155 8.972 0.00 0.00 +ATOM 18144 H2 WAT X5352 75.967 2.957 9.613 0.00 0.00 +ATOM 18145 O WAT X5353 32.151 18.942 29.428 0.00 0.00 +ATOM 18146 H1 WAT X5353 31.745 18.906 30.294 0.00 0.00 +ATOM 18147 H2 WAT X5353 32.358 19.868 29.298 0.00 0.00 +ATOM 18148 O WAT X5354 2.706 54.261 33.325 0.00 0.00 +ATOM 18149 H1 WAT X5354 2.281 54.620 34.105 0.00 0.00 +ATOM 18150 H2 WAT X5354 2.041 53.700 32.926 0.00 0.00 +ATOM 18151 O WAT X5355 29.940 11.971 37.355 0.00 0.00 +ATOM 18152 H1 WAT X5355 30.721 11.959 36.802 0.00 0.00 +ATOM 18153 H2 WAT X5355 29.242 11.636 36.792 0.00 0.00 +ATOM 18154 O WAT X5356 18.998 17.206 40.173 0.00 0.00 +ATOM 18155 H1 WAT X5356 19.497 17.046 40.974 0.00 0.00 +ATOM 18156 H2 WAT X5356 19.634 17.088 39.467 0.00 0.00 +ATOM 18157 O WAT X5357 70.242 18.787 7.105 0.00 0.00 +ATOM 18158 H1 WAT X5357 69.627 19.047 7.791 0.00 0.00 +ATOM 18159 H2 WAT X5357 70.081 17.852 6.980 0.00 0.00 +ATOM 18160 O WAT X5358 60.211 9.459 30.909 0.00 0.00 +ATOM 18161 H1 WAT X5358 61.093 9.829 30.902 0.00 0.00 +ATOM 18162 H2 WAT X5358 60.204 8.872 31.666 0.00 0.00 +ATOM 18163 O WAT X5359 69.416 47.903 40.254 0.00 0.00 +ATOM 18164 H1 WAT X5359 68.979 47.253 39.704 0.00 0.00 +ATOM 18165 H2 WAT X5359 70.213 47.466 40.553 0.00 0.00 +ATOM 18166 O WAT X5360 44.626 15.135 43.452 0.00 0.00 +ATOM 18167 H1 WAT X5360 44.653 14.325 43.962 0.00 0.00 +ATOM 18168 H2 WAT X5360 43.835 15.056 42.919 0.00 0.00 +ATOM 18169 O WAT X5361 26.506 16.155 30.402 0.00 0.00 +ATOM 18170 H1 WAT X5361 25.974 16.921 30.183 0.00 0.00 +ATOM 18171 H2 WAT X5361 26.460 15.601 29.623 0.00 0.00 +ATOM 18172 O WAT X5362 38.418 2.677 39.739 0.00 0.00 +ATOM 18173 H1 WAT X5362 38.051 2.998 40.562 0.00 0.00 +ATOM 18174 H2 WAT X5362 39.016 3.369 39.456 0.00 0.00 +ATOM 18175 O WAT X5363 18.390 45.418 9.508 0.00 0.00 +ATOM 18176 H1 WAT X5363 18.256 45.490 10.454 0.00 0.00 +ATOM 18177 H2 WAT X5363 18.412 44.476 9.341 0.00 0.00 +ATOM 18178 O WAT X5364 28.538 12.989 46.597 0.00 0.00 +ATOM 18179 H1 WAT X5364 29.146 12.342 46.241 0.00 0.00 +ATOM 18180 H2 WAT X5364 27.857 12.469 47.023 0.00 0.00 +ATOM 18181 O WAT X5365 70.105 26.357 7.054 0.00 0.00 +ATOM 18182 H1 WAT X5365 69.206 26.095 6.854 0.00 0.00 +ATOM 18183 H2 WAT X5365 70.406 25.712 7.693 0.00 0.00 +ATOM 18184 O WAT X5366 50.038 59.604 27.636 0.00 0.00 +ATOM 18185 H1 WAT X5366 49.675 58.792 27.282 0.00 0.00 +ATOM 18186 H2 WAT X5366 50.980 59.532 27.484 0.00 0.00 +ATOM 18187 O WAT X5367 73.956 47.452 7.883 0.00 0.00 +ATOM 18188 H1 WAT X5367 74.068 47.363 6.936 0.00 0.00 +ATOM 18189 H2 WAT X5367 73.172 46.938 8.080 0.00 0.00 +ATOM 18190 O WAT X5368 38.348 55.118 22.483 0.00 0.00 +ATOM 18191 H1 WAT X5368 39.139 55.647 22.590 0.00 0.00 +ATOM 18192 H2 WAT X5368 38.673 54.237 22.297 0.00 0.00 +ATOM 18193 O WAT X5369 26.304 9.081 49.059 0.00 0.00 +ATOM 18194 H1 WAT X5369 25.387 8.935 48.824 0.00 0.00 +ATOM 18195 H2 WAT X5369 26.708 8.216 48.998 0.00 0.00 +ATOM 18196 O WAT X5370 72.028 25.022 47.358 0.00 0.00 +ATOM 18197 H1 WAT X5370 71.733 24.513 48.113 0.00 0.00 +ATOM 18198 H2 WAT X5370 72.376 24.369 46.750 0.00 0.00 +ATOM 18199 O WAT X5371 23.343 11.603 49.696 0.00 0.00 +ATOM 18200 H1 WAT X5371 23.302 11.316 50.609 0.00 0.00 +ATOM 18201 H2 WAT X5371 22.613 11.153 49.271 0.00 0.00 +ATOM 18202 O WAT X5372 26.726 3.600 38.198 0.00 0.00 +ATOM 18203 H1 WAT X5372 27.062 4.492 38.101 0.00 0.00 +ATOM 18204 H2 WAT X5372 26.791 3.421 39.136 0.00 0.00 +ATOM 18205 O WAT X5373 39.497 20.927 52.013 0.00 0.00 +ATOM 18206 H1 WAT X5373 39.470 21.588 52.705 0.00 0.00 +ATOM 18207 H2 WAT X5373 39.353 21.420 51.205 0.00 0.00 +ATOM 18208 O WAT X5374 27.862 57.928 45.295 0.00 0.00 +ATOM 18209 H1 WAT X5374 27.215 57.806 44.600 0.00 0.00 +ATOM 18210 H2 WAT X5374 28.700 57.983 44.835 0.00 0.00 +ATOM 18211 O WAT X5375 43.395 13.237 16.692 0.00 0.00 +ATOM 18212 H1 WAT X5375 43.919 12.452 16.848 0.00 0.00 +ATOM 18213 H2 WAT X5375 44.006 13.858 16.294 0.00 0.00 +ATOM 18214 O WAT X5376 54.199 28.829 14.268 0.00 0.00 +ATOM 18215 H1 WAT X5376 54.766 28.798 15.038 0.00 0.00 +ATOM 18216 H2 WAT X5376 54.392 29.673 13.861 0.00 0.00 +ATOM 18217 O WAT X5377 61.928 20.596 41.062 0.00 0.00 +ATOM 18218 H1 WAT X5377 62.019 19.705 41.399 0.00 0.00 +ATOM 18219 H2 WAT X5377 60.997 20.682 40.860 0.00 0.00 +ATOM 18220 O WAT X5378 73.455 9.792 5.819 0.00 0.00 +ATOM 18221 H1 WAT X5378 73.886 10.272 6.526 0.00 0.00 +ATOM 18222 H2 WAT X5378 73.297 10.450 5.143 0.00 0.00 +ATOM 18223 O WAT X5379 33.547 40.753 44.177 0.00 0.00 +ATOM 18224 H1 WAT X5379 33.578 41.618 44.587 0.00 0.00 +ATOM 18225 H2 WAT X5379 33.583 40.140 44.911 0.00 0.00 +ATOM 18226 O WAT X5380 25.268 2.375 48.535 0.00 0.00 +ATOM 18227 H1 WAT X5380 25.556 1.820 49.259 0.00 0.00 +ATOM 18228 H2 WAT X5380 24.526 1.904 48.153 0.00 0.00 +ATOM 18229 O WAT X5381 24.220 22.781 46.523 0.00 0.00 +ATOM 18230 H1 WAT X5381 24.884 22.857 45.837 0.00 0.00 +ATOM 18231 H2 WAT X5381 23.389 22.918 46.068 0.00 0.00 +ATOM 18232 O WAT X5382 33.669 29.845 50.955 0.00 0.00 +ATOM 18233 H1 WAT X5382 34.388 30.476 50.959 0.00 0.00 +ATOM 18234 H2 WAT X5382 33.765 29.366 51.778 0.00 0.00 +ATOM 18235 O WAT X5383 75.101 27.726 26.206 0.00 0.00 +ATOM 18236 H1 WAT X5383 74.765 28.357 25.570 0.00 0.00 +ATOM 18237 H2 WAT X5383 75.503 27.039 25.674 0.00 0.00 +ATOM 18238 O WAT X5384 18.357 11.746 18.697 0.00 0.00 +ATOM 18239 H1 WAT X5384 18.647 10.941 19.127 0.00 0.00 +ATOM 18240 H2 WAT X5384 19.156 12.121 18.327 0.00 0.00 +ATOM 18241 O WAT X5385 30.118 11.114 45.653 0.00 0.00 +ATOM 18242 H1 WAT X5385 29.607 10.703 44.956 0.00 0.00 +ATOM 18243 H2 WAT X5385 30.325 10.397 46.252 0.00 0.00 +ATOM 18244 O WAT X5386 54.911 25.116 14.295 0.00 0.00 +ATOM 18245 H1 WAT X5386 55.337 25.970 14.362 0.00 0.00 +ATOM 18246 H2 WAT X5386 54.170 25.169 14.899 0.00 0.00 +ATOM 18247 O WAT X5387 67.233 33.067 37.796 0.00 0.00 +ATOM 18248 H1 WAT X5387 66.853 33.781 37.284 0.00 0.00 +ATOM 18249 H2 WAT X5387 66.923 33.220 38.688 0.00 0.00 +ATOM 18250 O WAT X5388 37.770 7.630 4.908 0.00 0.00 +ATOM 18251 H1 WAT X5388 38.578 7.559 4.398 0.00 0.00 +ATOM 18252 H2 WAT X5388 37.441 6.733 4.960 0.00 0.00 +ATOM 18253 O WAT X5389 26.423 15.875 15.425 0.00 0.00 +ATOM 18254 H1 WAT X5389 26.190 15.292 14.702 0.00 0.00 +ATOM 18255 H2 WAT X5389 26.760 16.663 14.998 0.00 0.00 +ATOM 18256 O WAT X5390 45.245 60.932 29.997 0.00 0.00 +ATOM 18257 H1 WAT X5390 44.707 60.668 29.251 0.00 0.00 +ATOM 18258 H2 WAT X5390 46.104 61.119 29.619 0.00 0.00 +ATOM 18259 O WAT X5391 34.290 35.151 43.276 0.00 0.00 +ATOM 18260 H1 WAT X5391 34.226 35.333 44.214 0.00 0.00 +ATOM 18261 H2 WAT X5391 33.608 35.692 42.879 0.00 0.00 +ATOM 18262 O WAT X5392 74.799 5.064 55.501 0.00 0.00 +ATOM 18263 H1 WAT X5392 74.690 4.576 54.685 0.00 0.00 +ATOM 18264 H2 WAT X5392 74.698 4.406 56.189 0.00 0.00 +ATOM 18265 O WAT X5393 9.068 19.094 51.440 0.00 0.00 +ATOM 18266 H1 WAT X5393 9.094 19.709 52.173 0.00 0.00 +ATOM 18267 H2 WAT X5393 9.987 18.944 51.220 0.00 0.00 +ATOM 18268 O WAT X5394 58.397 5.498 39.443 0.00 0.00 +ATOM 18269 H1 WAT X5394 58.156 5.301 40.348 0.00 0.00 +ATOM 18270 H2 WAT X5394 57.959 6.328 39.253 0.00 0.00 +ATOM 18271 O WAT X5395 68.136 3.905 5.667 0.00 0.00 +ATOM 18272 H1 WAT X5395 67.428 4.044 6.297 0.00 0.00 +ATOM 18273 H2 WAT X5395 68.154 4.708 5.146 0.00 0.00 +ATOM 18274 O WAT X5396 19.904 25.305 7.606 0.00 0.00 +ATOM 18275 H1 WAT X5396 20.700 25.829 7.512 0.00 0.00 +ATOM 18276 H2 WAT X5396 20.184 24.409 7.422 0.00 0.00 +ATOM 18277 O WAT X5397 73.363 60.871 26.803 0.00 0.00 +ATOM 18278 H1 WAT X5397 73.562 61.789 26.987 0.00 0.00 +ATOM 18279 H2 WAT X5397 72.431 60.784 27.001 0.00 0.00 +ATOM 18280 O WAT X5398 59.951 3.414 5.499 0.00 0.00 +ATOM 18281 H1 WAT X5398 59.618 3.963 6.209 0.00 0.00 +ATOM 18282 H2 WAT X5398 60.786 3.080 5.825 0.00 0.00 +ATOM 18283 O WAT X5399 23.441 8.760 14.697 0.00 0.00 +ATOM 18284 H1 WAT X5399 23.086 9.172 15.484 0.00 0.00 +ATOM 18285 H2 WAT X5399 24.234 8.314 14.995 0.00 0.00 +ATOM 18286 O WAT X5400 30.585 10.623 22.218 0.00 0.00 +ATOM 18287 H1 WAT X5400 31.520 10.477 22.077 0.00 0.00 +ATOM 18288 H2 WAT X5400 30.407 11.463 21.796 0.00 0.00 +ATOM 18289 O WAT X5401 65.616 24.645 37.736 0.00 0.00 +ATOM 18290 H1 WAT X5401 66.166 25.422 37.634 0.00 0.00 +ATOM 18291 H2 WAT X5401 66.163 23.923 37.424 0.00 0.00 +ATOM 18292 O WAT X5402 69.092 55.943 8.329 0.00 0.00 +ATOM 18293 H1 WAT X5402 68.701 55.075 8.229 0.00 0.00 +ATOM 18294 H2 WAT X5402 68.391 56.480 8.700 0.00 0.00 +ATOM 18295 O WAT X5403 1.719 45.569 55.014 0.00 0.00 +ATOM 18296 H1 WAT X5403 2.674 45.563 54.965 0.00 0.00 +ATOM 18297 H2 WAT X5403 1.473 46.468 54.798 0.00 0.00 +ATOM 18298 O WAT X5404 36.910 21.344 55.864 0.00 0.00 +ATOM 18299 H1 WAT X5404 36.237 22.025 55.897 0.00 0.00 +ATOM 18300 H2 WAT X5404 36.816 20.957 54.994 0.00 0.00 +ATOM 18301 O WAT X5405 22.701 3.682 14.685 0.00 0.00 +ATOM 18302 H1 WAT X5405 23.517 4.129 14.456 0.00 0.00 +ATOM 18303 H2 WAT X5405 22.797 2.805 14.315 0.00 0.00 +ATOM 18304 O WAT X5406 4.587 2.104 14.836 0.00 0.00 +ATOM 18305 H1 WAT X5406 3.815 2.229 14.284 0.00 0.00 +ATOM 18306 H2 WAT X5406 4.980 1.292 14.518 0.00 0.00 +ATOM 18307 O WAT X5407 71.833 36.114 46.493 0.00 0.00 +ATOM 18308 H1 WAT X5407 71.621 35.768 45.625 0.00 0.00 +ATOM 18309 H2 WAT X5407 70.984 36.340 46.874 0.00 0.00 +ATOM 18310 O WAT X5408 62.061 40.446 7.973 0.00 0.00 +ATOM 18311 H1 WAT X5408 61.314 39.847 7.984 0.00 0.00 +ATOM 18312 H2 WAT X5408 62.722 40.014 8.514 0.00 0.00 +ATOM 18313 O WAT X5409 53.056 56.592 43.900 0.00 0.00 +ATOM 18314 H1 WAT X5409 52.921 56.167 43.053 0.00 0.00 +ATOM 18315 H2 WAT X5409 52.744 57.488 43.771 0.00 0.00 +ATOM 18316 O WAT X5410 27.764 31.532 7.112 0.00 0.00 +ATOM 18317 H1 WAT X5410 28.241 30.872 7.616 0.00 0.00 +ATOM 18318 H2 WAT X5410 28.244 31.596 6.287 0.00 0.00 +ATOM 18319 O WAT X5411 16.127 44.496 14.315 0.00 0.00 +ATOM 18320 H1 WAT X5411 15.928 43.586 14.535 0.00 0.00 +ATOM 18321 H2 WAT X5411 17.049 44.603 14.548 0.00 0.00 +ATOM 18322 O WAT X5412 69.948 55.462 11.200 0.00 0.00 +ATOM 18323 H1 WAT X5412 70.637 54.883 10.876 0.00 0.00 +ATOM 18324 H2 WAT X5412 69.555 55.833 10.410 0.00 0.00 +ATOM 18325 O WAT X5413 71.952 45.252 8.991 0.00 0.00 +ATOM 18326 H1 WAT X5413 71.828 45.940 9.645 0.00 0.00 +ATOM 18327 H2 WAT X5413 71.392 44.535 9.289 0.00 0.00 +ATOM 18328 O WAT X5414 23.133 48.114 26.698 0.00 0.00 +ATOM 18329 H1 WAT X5414 23.624 48.655 27.316 0.00 0.00 +ATOM 18330 H2 WAT X5414 23.774 47.874 26.028 0.00 0.00 +ATOM 18331 O WAT X5415 2.018 13.309 22.326 0.00 0.00 +ATOM 18332 H1 WAT X5415 1.384 13.167 23.029 0.00 0.00 +ATOM 18333 H2 WAT X5415 2.870 13.204 22.748 0.00 0.00 +ATOM 18334 O WAT X5416 10.732 5.846 32.900 0.00 0.00 +ATOM 18335 H1 WAT X5416 9.841 5.552 32.712 0.00 0.00 +ATOM 18336 H2 WAT X5416 11.293 5.174 32.514 0.00 0.00 +ATOM 18337 O WAT X5417 50.173 50.250 18.425 0.00 0.00 +ATOM 18338 H1 WAT X5417 49.721 51.089 18.514 0.00 0.00 +ATOM 18339 H2 WAT X5417 49.676 49.780 17.756 0.00 0.00 +ATOM 18340 O WAT X5418 14.350 16.163 33.386 0.00 0.00 +ATOM 18341 H1 WAT X5418 14.277 15.469 34.041 0.00 0.00 +ATOM 18342 H2 WAT X5418 14.076 16.957 33.846 0.00 0.00 +ATOM 18343 O WAT X5419 66.865 11.944 54.186 0.00 0.00 +ATOM 18344 H1 WAT X5419 66.057 12.341 54.513 0.00 0.00 +ATOM 18345 H2 WAT X5419 67.545 12.589 54.382 0.00 0.00 +ATOM 18346 O WAT X5420 41.082 49.410 52.403 0.00 0.00 +ATOM 18347 H1 WAT X5420 41.967 49.770 52.467 0.00 0.00 +ATOM 18348 H2 WAT X5420 41.188 48.602 51.900 0.00 0.00 +ATOM 18349 O WAT X5421 67.566 9.139 44.633 0.00 0.00 +ATOM 18350 H1 WAT X5421 67.352 8.785 45.496 0.00 0.00 +ATOM 18351 H2 WAT X5421 68.121 8.471 44.231 0.00 0.00 +ATOM 18352 O WAT X5422 14.775 52.301 4.671 0.00 0.00 +ATOM 18353 H1 WAT X5422 15.568 51.869 4.988 0.00 0.00 +ATOM 18354 H2 WAT X5422 14.238 51.590 4.321 0.00 0.00 +ATOM 18355 O WAT X5423 10.753 26.093 33.028 0.00 0.00 +ATOM 18356 H1 WAT X5423 11.357 25.352 33.075 0.00 0.00 +ATOM 18357 H2 WAT X5423 11.309 26.842 32.814 0.00 0.00 +ATOM 18358 O WAT X5424 75.084 24.951 44.555 0.00 0.00 +ATOM 18359 H1 WAT X5424 75.129 24.967 43.599 0.00 0.00 +ATOM 18360 H2 WAT X5424 74.622 24.138 44.760 0.00 0.00 +ATOM 18361 O WAT X5425 2.352 9.581 6.086 0.00 0.00 +ATOM 18362 H1 WAT X5425 1.791 10.353 6.013 0.00 0.00 +ATOM 18363 H2 WAT X5425 2.023 8.982 5.416 0.00 0.00 +ATOM 18364 O WAT X5426 73.203 56.424 1.393 0.00 0.00 +ATOM 18365 H1 WAT X5426 72.924 55.885 2.133 0.00 0.00 +ATOM 18366 H2 WAT X5426 73.928 55.937 1.002 0.00 0.00 +ATOM 18367 O WAT X5427 5.241 8.407 17.399 0.00 0.00 +ATOM 18368 H1 WAT X5427 5.752 8.227 16.610 0.00 0.00 +ATOM 18369 H2 WAT X5427 4.820 7.574 17.607 0.00 0.00 +ATOM 18370 O WAT X5428 65.815 48.467 26.789 0.00 0.00 +ATOM 18371 H1 WAT X5428 66.158 48.858 27.592 0.00 0.00 +ATOM 18372 H2 WAT X5428 66.277 48.923 26.085 0.00 0.00 +ATOM 18373 O WAT X5429 75.291 46.789 36.691 0.00 0.00 +ATOM 18374 H1 WAT X5429 75.104 46.345 35.864 0.00 0.00 +ATOM 18375 H2 WAT X5429 75.598 47.658 36.432 0.00 0.00 +ATOM 18376 O WAT X5430 38.819 46.611 42.044 0.00 0.00 +ATOM 18377 H1 WAT X5430 38.224 47.281 42.381 0.00 0.00 +ATOM 18378 H2 WAT X5430 39.666 47.053 41.982 0.00 0.00 +ATOM 18379 O WAT X5431 2.883 49.978 43.336 0.00 0.00 +ATOM 18380 H1 WAT X5431 3.239 49.574 44.127 0.00 0.00 +ATOM 18381 H2 WAT X5431 2.940 49.293 42.671 0.00 0.00 +ATOM 18382 O WAT X5432 2.833 13.808 48.028 0.00 0.00 +ATOM 18383 H1 WAT X5432 3.778 13.791 48.180 0.00 0.00 +ATOM 18384 H2 WAT X5432 2.664 13.042 47.480 0.00 0.00 +ATOM 18385 O WAT X5433 55.778 38.781 52.319 0.00 0.00 +ATOM 18386 H1 WAT X5433 56.562 38.516 51.840 0.00 0.00 +ATOM 18387 H2 WAT X5433 55.725 38.167 53.052 0.00 0.00 +ATOM 18388 O WAT X5434 6.629 0.313 52.632 0.00 0.00 +ATOM 18389 H1 WAT X5434 6.648 1.119 53.148 0.00 0.00 +ATOM 18390 H2 WAT X5434 5.703 0.181 52.428 0.00 0.00 +ATOM 18391 O WAT X5435 45.759 49.690 53.993 0.00 0.00 +ATOM 18392 H1 WAT X5435 45.477 50.275 53.290 0.00 0.00 +ATOM 18393 H2 WAT X5435 46.713 49.770 54.005 0.00 0.00 +ATOM 18394 O WAT X5436 64.398 35.243 7.463 0.00 0.00 +ATOM 18395 H1 WAT X5436 64.547 34.934 6.570 0.00 0.00 +ATOM 18396 H2 WAT X5436 63.566 34.845 7.719 0.00 0.00 +ATOM 18397 O WAT X5437 8.598 50.892 6.650 0.00 0.00 +ATOM 18398 H1 WAT X5437 8.578 51.627 6.038 0.00 0.00 +ATOM 18399 H2 WAT X5437 7.939 50.283 6.315 0.00 0.00 +ATOM 18400 O WAT X5438 11.094 50.097 44.882 0.00 0.00 +ATOM 18401 H1 WAT X5438 10.529 50.391 45.596 0.00 0.00 +ATOM 18402 H2 WAT X5438 10.734 49.247 44.626 0.00 0.00 +ATOM 18403 O WAT X5439 44.000 6.188 44.622 0.00 0.00 +ATOM 18404 H1 WAT X5439 43.574 6.010 43.783 0.00 0.00 +ATOM 18405 H2 WAT X5439 44.322 5.335 44.912 0.00 0.00 +ATOM 18406 O WAT X5440 37.610 7.525 14.651 0.00 0.00 +ATOM 18407 H1 WAT X5440 37.799 6.964 15.403 0.00 0.00 +ATOM 18408 H2 WAT X5440 38.214 8.262 14.744 0.00 0.00 +ATOM 18409 O WAT X5441 16.656 21.599 54.955 0.00 0.00 +ATOM 18410 H1 WAT X5441 16.559 20.691 54.669 0.00 0.00 +ATOM 18411 H2 WAT X5441 16.991 21.534 55.850 0.00 0.00 +ATOM 18412 O WAT X5442 27.984 13.886 3.316 0.00 0.00 +ATOM 18413 H1 WAT X5442 27.377 13.558 2.653 0.00 0.00 +ATOM 18414 H2 WAT X5442 28.240 14.752 2.999 0.00 0.00 +ATOM 18415 O WAT X5443 27.810 48.246 27.302 0.00 0.00 +ATOM 18416 H1 WAT X5443 27.941 47.516 27.907 0.00 0.00 +ATOM 18417 H2 WAT X5443 28.650 48.704 27.293 0.00 0.00 +ATOM 18418 O WAT X5444 59.097 30.941 48.652 0.00 0.00 +ATOM 18419 H1 WAT X5444 59.832 30.334 48.745 0.00 0.00 +ATOM 18420 H2 WAT X5444 58.566 30.567 47.949 0.00 0.00 +ATOM 18421 O WAT X5445 45.626 33.141 44.558 0.00 0.00 +ATOM 18422 H1 WAT X5445 45.687 32.907 45.484 0.00 0.00 +ATOM 18423 H2 WAT X5445 46.106 33.966 44.487 0.00 0.00 +ATOM 18424 O WAT X5446 23.662 0.748 53.769 0.00 0.00 +ATOM 18425 H1 WAT X5446 22.794 0.395 53.576 0.00 0.00 +ATOM 18426 H2 WAT X5446 23.939 0.286 54.560 0.00 0.00 +ATOM 18427 O WAT X5447 44.278 22.188 14.694 0.00 0.00 +ATOM 18428 H1 WAT X5447 43.504 22.725 14.524 0.00 0.00 +ATOM 18429 H2 WAT X5447 44.259 22.034 15.639 0.00 0.00 +ATOM 18430 O WAT X5448 42.005 37.273 57.600 0.00 0.00 +ATOM 18431 H1 WAT X5448 41.410 37.099 56.870 0.00 0.00 +ATOM 18432 H2 WAT X5448 42.451 36.439 57.749 0.00 0.00 +ATOM 18433 O WAT X5449 3.553 34.210 1.359 0.00 0.00 +ATOM 18434 H1 WAT X5449 4.461 34.267 1.655 0.00 0.00 +ATOM 18435 H2 WAT X5449 3.605 33.773 0.509 0.00 0.00 +ATOM 18436 O WAT X5450 27.473 1.170 2.072 0.00 0.00 +ATOM 18437 H1 WAT X5450 28.133 1.860 2.008 0.00 0.00 +ATOM 18438 H2 WAT X5450 27.961 0.358 1.933 0.00 0.00 +ATOM 18439 O WAT X5451 54.235 47.741 4.612 0.00 0.00 +ATOM 18440 H1 WAT X5451 53.891 47.604 5.495 0.00 0.00 +ATOM 18441 H2 WAT X5451 53.501 48.115 4.125 0.00 0.00 +ATOM 18442 O WAT X5452 2.352 59.077 2.884 0.00 0.00 +ATOM 18443 H1 WAT X5452 1.747 58.951 3.615 0.00 0.00 +ATOM 18444 H2 WAT X5452 3.115 58.546 3.110 0.00 0.00 +ATOM 18445 O WAT X5453 6.706 48.775 36.185 0.00 0.00 +ATOM 18446 H1 WAT X5453 6.512 48.361 35.344 0.00 0.00 +ATOM 18447 H2 WAT X5453 5.936 48.593 36.725 0.00 0.00 +ATOM 18448 O WAT X5454 48.805 16.667 18.291 0.00 0.00 +ATOM 18449 H1 WAT X5454 48.174 16.551 17.581 0.00 0.00 +ATOM 18450 H2 WAT X5454 48.483 17.427 18.776 0.00 0.00 +ATOM 18451 O WAT X5455 55.746 6.664 57.477 0.00 0.00 +ATOM 18452 H1 WAT X5455 56.359 5.955 57.284 0.00 0.00 +ATOM 18453 H2 WAT X5455 55.920 7.321 56.803 0.00 0.00 +ATOM 18454 O WAT X5456 35.317 6.325 10.371 0.00 0.00 +ATOM 18455 H1 WAT X5456 34.676 7.035 10.404 0.00 0.00 +ATOM 18456 H2 WAT X5456 36.003 6.591 10.982 0.00 0.00 +ATOM 18457 O WAT X5457 13.806 25.630 6.378 0.00 0.00 +ATOM 18458 H1 WAT X5457 13.034 26.016 5.963 0.00 0.00 +ATOM 18459 H2 WAT X5457 14.084 24.942 5.773 0.00 0.00 +ATOM 18460 O WAT X5458 29.734 41.759 31.431 0.00 0.00 +ATOM 18461 H1 WAT X5458 29.239 42.525 31.722 0.00 0.00 +ATOM 18462 H2 WAT X5458 30.204 42.059 30.653 0.00 0.00 +ATOM 18463 O WAT X5459 59.711 56.396 21.320 0.00 0.00 +ATOM 18464 H1 WAT X5459 60.662 56.414 21.424 0.00 0.00 +ATOM 18465 H2 WAT X5459 59.564 56.647 20.408 0.00 0.00 +ATOM 18466 O WAT X5460 6.155 22.531 1.621 0.00 0.00 +ATOM 18467 H1 WAT X5460 6.167 22.375 0.677 0.00 0.00 +ATOM 18468 H2 WAT X5460 5.824 21.714 1.994 0.00 0.00 +ATOM 18469 O WAT X5461 2.855 1.101 0.229 0.00 0.00 +ATOM 18470 H1 WAT X5461 2.338 0.387 -0.144 0.00 0.00 +ATOM 18471 H2 WAT X5461 3.399 0.680 0.894 0.00 0.00 +ATOM 18472 O WAT X5462 73.668 31.163 7.176 0.00 0.00 +ATOM 18473 H1 WAT X5462 73.406 30.814 6.324 0.00 0.00 +ATOM 18474 H2 WAT X5462 74.534 30.786 7.332 0.00 0.00 +ATOM 18475 O WAT X5463 63.160 50.933 0.787 0.00 0.00 +ATOM 18476 H1 WAT X5463 63.486 51.188 1.650 0.00 0.00 +ATOM 18477 H2 WAT X5463 63.847 51.209 0.180 0.00 0.00 +ATOM 18478 O WAT X5464 5.129 4.802 43.593 0.00 0.00 +ATOM 18479 H1 WAT X5464 5.501 5.676 43.479 0.00 0.00 +ATOM 18480 H2 WAT X5464 5.881 4.245 43.796 0.00 0.00 +ATOM 18481 O WAT X5465 7.087 28.761 14.855 0.00 0.00 +ATOM 18482 H1 WAT X5465 6.524 28.532 15.595 0.00 0.00 +ATOM 18483 H2 WAT X5465 7.962 28.482 15.124 0.00 0.00 +ATOM 18484 O WAT X5466 26.617 45.721 32.074 0.00 0.00 +ATOM 18485 H1 WAT X5466 26.019 45.619 32.815 0.00 0.00 +ATOM 18486 H2 WAT X5466 26.349 46.543 31.662 0.00 0.00 +ATOM 18487 O WAT X5467 30.672 46.391 39.479 0.00 0.00 +ATOM 18488 H1 WAT X5467 29.972 46.243 40.115 0.00 0.00 +ATOM 18489 H2 WAT X5467 30.761 45.555 39.022 0.00 0.00 +ATOM 18490 O WAT X5468 8.279 61.945 47.350 0.00 0.00 +ATOM 18491 H1 WAT X5468 8.506 61.869 46.423 0.00 0.00 +ATOM 18492 H2 WAT X5468 7.783 61.149 47.541 0.00 0.00 +ATOM 18493 O WAT X5469 43.450 2.448 29.596 0.00 0.00 +ATOM 18494 H1 WAT X5469 44.331 2.169 29.848 0.00 0.00 +ATOM 18495 H2 WAT X5469 43.545 3.376 29.382 0.00 0.00 +ATOM 18496 O WAT X5470 33.597 11.781 46.459 0.00 0.00 +ATOM 18497 H1 WAT X5470 34.489 12.061 46.663 0.00 0.00 +ATOM 18498 H2 WAT X5470 33.123 12.596 46.290 0.00 0.00 +ATOM 18499 O WAT X5471 75.616 2.709 48.358 0.00 0.00 +ATOM 18500 H1 WAT X5471 76.160 2.040 48.774 0.00 0.00 +ATOM 18501 H2 WAT X5471 76.182 3.479 48.306 0.00 0.00 +ATOM 18502 O WAT X5472 9.627 51.377 46.665 0.00 0.00 +ATOM 18503 H1 WAT X5472 9.744 51.888 47.466 0.00 0.00 +ATOM 18504 H2 WAT X5472 8.684 51.401 46.502 0.00 0.00 +ATOM 18505 O WAT X5473 76.779 13.952 36.463 0.00 0.00 +ATOM 18506 H1 WAT X5473 76.026 13.373 36.578 0.00 0.00 +ATOM 18507 H2 WAT X5473 76.396 14.821 36.339 0.00 0.00 +ATOM 18508 O WAT X5474 1.685 39.243 43.402 0.00 0.00 +ATOM 18509 H1 WAT X5474 1.564 38.336 43.683 0.00 0.00 +ATOM 18510 H2 WAT X5474 1.072 39.744 43.941 0.00 0.00 +ATOM 18511 O WAT X5475 58.673 11.955 25.971 0.00 0.00 +ATOM 18512 H1 WAT X5475 58.286 11.795 26.832 0.00 0.00 +ATOM 18513 H2 WAT X5475 58.272 12.773 25.677 0.00 0.00 +ATOM 18514 O WAT X5476 68.243 31.536 54.177 0.00 0.00 +ATOM 18515 H1 WAT X5476 68.189 31.760 55.106 0.00 0.00 +ATOM 18516 H2 WAT X5476 67.725 32.210 53.737 0.00 0.00 +ATOM 18517 O WAT X5477 22.474 51.637 9.328 0.00 0.00 +ATOM 18518 H1 WAT X5477 22.229 50.799 9.720 0.00 0.00 +ATOM 18519 H2 WAT X5477 23.001 51.400 8.565 0.00 0.00 +ATOM 18520 O WAT X5478 23.730 2.549 24.293 0.00 0.00 +ATOM 18521 H1 WAT X5478 23.897 3.079 25.072 0.00 0.00 +ATOM 18522 H2 WAT X5478 23.065 1.919 24.569 0.00 0.00 +ATOM 18523 O WAT X5479 29.815 27.782 14.352 0.00 0.00 +ATOM 18524 H1 WAT X5479 30.674 27.398 14.178 0.00 0.00 +ATOM 18525 H2 WAT X5479 29.241 27.029 14.493 0.00 0.00 +ATOM 18526 O WAT X5480 67.972 6.611 22.265 0.00 0.00 +ATOM 18527 H1 WAT X5480 67.174 6.717 22.782 0.00 0.00 +ATOM 18528 H2 WAT X5480 67.698 6.778 21.363 0.00 0.00 +ATOM 18529 O WAT X5481 27.469 54.712 19.990 0.00 0.00 +ATOM 18530 H1 WAT X5481 26.900 54.829 19.229 0.00 0.00 +ATOM 18531 H2 WAT X5481 27.064 55.243 20.676 0.00 0.00 +ATOM 18532 O WAT X5482 17.571 38.988 47.922 0.00 0.00 +ATOM 18533 H1 WAT X5482 16.631 38.902 47.763 0.00 0.00 +ATOM 18534 H2 WAT X5482 17.787 38.245 48.485 0.00 0.00 +ATOM 18535 O WAT X5483 32.959 12.188 11.156 0.00 0.00 +ATOM 18536 H1 WAT X5483 32.879 12.179 10.202 0.00 0.00 +ATOM 18537 H2 WAT X5483 33.240 13.078 11.365 0.00 0.00 +ATOM 18538 O WAT X5484 62.423 27.587 0.816 0.00 0.00 +ATOM 18539 H1 WAT X5484 61.986 28.020 0.083 0.00 0.00 +ATOM 18540 H2 WAT X5484 63.353 27.615 0.591 0.00 0.00 +ATOM 18541 O WAT X5485 64.248 48.690 34.641 0.00 0.00 +ATOM 18542 H1 WAT X5485 64.388 48.037 35.327 0.00 0.00 +ATOM 18543 H2 WAT X5485 64.726 48.349 33.885 0.00 0.00 +ATOM 18544 O WAT X5486 41.564 18.732 10.166 0.00 0.00 +ATOM 18545 H1 WAT X5486 41.883 19.502 10.636 0.00 0.00 +ATOM 18546 H2 WAT X5486 40.819 19.053 9.659 0.00 0.00 +ATOM 18547 O WAT X5487 8.878 22.999 23.184 0.00 0.00 +ATOM 18548 H1 WAT X5487 9.144 23.789 22.713 0.00 0.00 +ATOM 18549 H2 WAT X5487 8.370 22.499 22.545 0.00 0.00 +ATOM 18550 O WAT X5488 8.688 50.836 23.600 0.00 0.00 +ATOM 18551 H1 WAT X5488 8.394 51.478 22.953 0.00 0.00 +ATOM 18552 H2 WAT X5488 9.643 50.878 23.563 0.00 0.00 +ATOM 18553 O WAT X5489 69.571 46.457 48.539 0.00 0.00 +ATOM 18554 H1 WAT X5489 68.878 46.297 47.898 0.00 0.00 +ATOM 18555 H2 WAT X5489 69.108 46.757 49.321 0.00 0.00 +ATOM 18556 O WAT X5490 3.237 56.819 32.314 0.00 0.00 +ATOM 18557 H1 WAT X5490 3.155 57.304 33.135 0.00 0.00 +ATOM 18558 H2 WAT X5490 3.324 55.905 32.584 0.00 0.00 +ATOM 18559 O WAT X5491 29.746 28.065 49.131 0.00 0.00 +ATOM 18560 H1 WAT X5491 28.995 27.944 49.712 0.00 0.00 +ATOM 18561 H2 WAT X5491 30.123 27.190 49.042 0.00 0.00 +ATOM 18562 O WAT X5492 70.372 60.492 27.269 0.00 0.00 +ATOM 18563 H1 WAT X5492 70.293 59.729 26.696 0.00 0.00 +ATOM 18564 H2 WAT X5492 69.851 60.267 28.040 0.00 0.00 +ATOM 18565 O WAT X5493 4.969 19.908 43.357 0.00 0.00 +ATOM 18566 H1 WAT X5493 4.808 19.419 44.164 0.00 0.00 +ATOM 18567 H2 WAT X5493 4.682 20.799 43.556 0.00 0.00 +ATOM 18568 O WAT X5494 31.562 12.640 31.336 0.00 0.00 +ATOM 18569 H1 WAT X5494 31.449 13.078 32.180 0.00 0.00 +ATOM 18570 H2 WAT X5494 32.233 11.978 31.497 0.00 0.00 +ATOM 18571 O WAT X5495 60.534 20.544 23.666 0.00 0.00 +ATOM 18572 H1 WAT X5495 60.168 19.843 24.205 0.00 0.00 +ATOM 18573 H2 WAT X5495 61.381 20.739 24.068 0.00 0.00 +ATOM 18574 O WAT X5496 55.163 16.998 21.729 0.00 0.00 +ATOM 18575 H1 WAT X5496 56.023 17.028 21.312 0.00 0.00 +ATOM 18576 H2 WAT X5496 54.552 17.250 21.037 0.00 0.00 +ATOM 18577 O WAT X5497 9.785 37.786 19.870 0.00 0.00 +ATOM 18578 H1 WAT X5497 9.036 38.281 20.203 0.00 0.00 +ATOM 18579 H2 WAT X5497 9.409 37.189 19.223 0.00 0.00 +ATOM 18580 O WAT X5498 28.090 8.143 14.641 0.00 0.00 +ATOM 18581 H1 WAT X5498 27.308 8.475 15.083 0.00 0.00 +ATOM 18582 H2 WAT X5498 28.677 7.887 15.353 0.00 0.00 +ATOM 18583 O WAT X5499 22.400 26.225 6.325 0.00 0.00 +ATOM 18584 H1 WAT X5499 22.931 25.703 5.724 0.00 0.00 +ATOM 18585 H2 WAT X5499 21.702 26.584 5.777 0.00 0.00 +ATOM 18586 O WAT X5500 16.181 63.079 9.435 0.00 0.00 +ATOM 18587 H1 WAT X5500 15.940 63.603 8.671 0.00 0.00 +ATOM 18588 H2 WAT X5500 16.135 62.173 9.128 0.00 0.00 +ATOM 18589 O WAT X5501 50.929 49.642 57.667 0.00 0.00 +ATOM 18590 H1 WAT X5501 51.249 49.296 58.500 0.00 0.00 +ATOM 18591 H2 WAT X5501 50.765 48.866 57.132 0.00 0.00 +ATOM 18592 O WAT X5502 17.094 13.881 5.648 0.00 0.00 +ATOM 18593 H1 WAT X5502 18.036 13.973 5.790 0.00 0.00 +ATOM 18594 H2 WAT X5502 17.020 13.227 4.952 0.00 0.00 +ATOM 18595 O WAT X5503 13.964 8.335 11.265 0.00 0.00 +ATOM 18596 H1 WAT X5503 14.218 7.555 11.760 0.00 0.00 +ATOM 18597 H2 WAT X5503 14.678 8.464 10.640 0.00 0.00 +ATOM 18598 O WAT X5504 44.261 38.530 51.311 0.00 0.00 +ATOM 18599 H1 WAT X5504 44.838 38.042 51.899 0.00 0.00 +ATOM 18600 H2 WAT X5504 44.022 39.313 51.806 0.00 0.00 +ATOM 18601 O WAT X5505 27.893 30.472 54.259 0.00 0.00 +ATOM 18602 H1 WAT X5505 28.850 30.491 54.279 0.00 0.00 +ATOM 18603 H2 WAT X5505 27.642 31.355 53.987 0.00 0.00 +ATOM 18604 O WAT X5506 34.629 45.281 40.632 0.00 0.00 +ATOM 18605 H1 WAT X5506 34.203 45.222 41.487 0.00 0.00 +ATOM 18606 H2 WAT X5506 34.762 46.219 40.494 0.00 0.00 +ATOM 18607 O WAT X5507 34.723 9.219 49.477 0.00 0.00 +ATOM 18608 H1 WAT X5507 34.153 9.848 49.033 0.00 0.00 +ATOM 18609 H2 WAT X5507 35.408 9.757 49.874 0.00 0.00 +ATOM 18610 O WAT X5508 70.129 33.049 38.684 0.00 0.00 +ATOM 18611 H1 WAT X5508 69.826 32.152 38.826 0.00 0.00 +ATOM 18612 H2 WAT X5508 69.353 33.519 38.378 0.00 0.00 +ATOM 18613 O WAT X5509 9.781 6.930 0.942 0.00 0.00 +ATOM 18614 H1 WAT X5509 10.208 6.085 0.803 0.00 0.00 +ATOM 18615 H2 WAT X5509 10.148 7.252 1.765 0.00 0.00 +ATOM 18616 O WAT X5510 43.244 48.791 24.410 0.00 0.00 +ATOM 18617 H1 WAT X5510 43.552 47.890 24.317 0.00 0.00 +ATOM 18618 H2 WAT X5510 44.041 49.303 24.552 0.00 0.00 +ATOM 18619 O WAT X5511 46.901 34.736 49.035 0.00 0.00 +ATOM 18620 H1 WAT X5511 47.819 34.992 48.950 0.00 0.00 +ATOM 18621 H2 WAT X5511 46.919 33.779 49.032 0.00 0.00 +ATOM 18622 O WAT X5512 8.264 51.905 41.462 0.00 0.00 +ATOM 18623 H1 WAT X5512 8.004 51.273 40.791 0.00 0.00 +ATOM 18624 H2 WAT X5512 8.906 52.466 41.027 0.00 0.00 +ATOM 18625 O WAT X5513 61.794 18.241 45.094 0.00 0.00 +ATOM 18626 H1 WAT X5513 61.347 18.741 45.778 0.00 0.00 +ATOM 18627 H2 WAT X5513 62.602 18.727 44.932 0.00 0.00 +ATOM 18628 O WAT X5514 39.854 29.016 10.928 0.00 0.00 +ATOM 18629 H1 WAT X5514 39.188 29.403 10.360 0.00 0.00 +ATOM 18630 H2 WAT X5514 40.246 29.763 11.381 0.00 0.00 +ATOM 18631 O WAT X5515 5.927 37.417 26.222 0.00 0.00 +ATOM 18632 H1 WAT X5515 5.736 36.907 27.010 0.00 0.00 +ATOM 18633 H2 WAT X5515 5.133 37.930 26.071 0.00 0.00 +ATOM 18634 O WAT X5516 32.193 17.591 14.841 0.00 0.00 +ATOM 18635 H1 WAT X5516 32.886 17.314 15.440 0.00 0.00 +ATOM 18636 H2 WAT X5516 31.786 18.341 15.274 0.00 0.00 +ATOM 18637 O WAT X5517 66.196 60.006 28.412 0.00 0.00 +ATOM 18638 H1 WAT X5517 67.034 60.359 28.712 0.00 0.00 +ATOM 18639 H2 WAT X5517 65.794 60.726 27.926 0.00 0.00 +ATOM 18640 O WAT X5518 62.871 10.625 38.241 0.00 0.00 +ATOM 18641 H1 WAT X5518 62.278 10.352 38.941 0.00 0.00 +ATOM 18642 H2 WAT X5518 63.740 10.373 38.553 0.00 0.00 +ATOM 18643 O WAT X5519 16.326 34.167 3.003 0.00 0.00 +ATOM 18644 H1 WAT X5519 16.002 33.291 3.210 0.00 0.00 +ATOM 18645 H2 WAT X5519 16.538 34.130 2.071 0.00 0.00 +ATOM 18646 O WAT X5520 68.972 49.887 44.674 0.00 0.00 +ATOM 18647 H1 WAT X5520 69.263 50.119 43.792 0.00 0.00 +ATOM 18648 H2 WAT X5520 69.764 49.579 45.114 0.00 0.00 +ATOM 18649 O WAT X5521 42.134 43.647 41.283 0.00 0.00 +ATOM 18650 H1 WAT X5521 41.533 42.923 41.110 0.00 0.00 +ATOM 18651 H2 WAT X5521 42.896 43.234 41.689 0.00 0.00 +ATOM 18652 O WAT X5522 75.835 22.017 6.167 0.00 0.00 +ATOM 18653 H1 WAT X5522 75.613 22.905 5.887 0.00 0.00 +ATOM 18654 H2 WAT X5522 75.810 22.053 7.123 0.00 0.00 +ATOM 18655 O WAT X5523 50.686 32.752 14.758 0.00 0.00 +ATOM 18656 H1 WAT X5523 51.504 32.614 14.281 0.00 0.00 +ATOM 18657 H2 WAT X5523 50.339 33.573 14.408 0.00 0.00 +ATOM 18658 O WAT X5524 73.897 38.286 23.502 0.00 0.00 +ATOM 18659 H1 WAT X5524 73.329 38.463 22.752 0.00 0.00 +ATOM 18660 H2 WAT X5524 73.702 37.380 23.742 0.00 0.00 +ATOM 18661 O WAT X5525 71.270 4.000 21.021 0.00 0.00 +ATOM 18662 H1 WAT X5525 71.782 3.758 20.249 0.00 0.00 +ATOM 18663 H2 WAT X5525 70.419 4.265 20.671 0.00 0.00 +ATOM 18664 O WAT X5526 0.431 29.745 40.049 0.00 0.00 +ATOM 18665 H1 WAT X5526 0.510 29.469 40.962 0.00 0.00 +ATOM 18666 H2 WAT X5526 -0.158 29.101 39.654 0.00 0.00 +ATOM 18667 O WAT X5527 45.103 32.246 47.073 0.00 0.00 +ATOM 18668 H1 WAT X5527 44.708 32.773 47.768 0.00 0.00 +ATOM 18669 H2 WAT X5527 44.398 31.665 46.784 0.00 0.00 +ATOM 18670 O WAT X5528 14.316 38.052 0.730 0.00 0.00 +ATOM 18671 H1 WAT X5528 14.241 37.601 -0.111 0.00 0.00 +ATOM 18672 H2 WAT X5528 14.160 37.369 1.382 0.00 0.00 +ATOM 18673 O WAT X5529 8.006 29.185 39.466 0.00 0.00 +ATOM 18674 H1 WAT X5529 7.382 29.911 39.463 0.00 0.00 +ATOM 18675 H2 WAT X5529 8.727 29.486 38.913 0.00 0.00 +ATOM 18676 O WAT X5530 55.001 12.921 49.968 0.00 0.00 +ATOM 18677 H1 WAT X5530 54.588 12.967 50.830 0.00 0.00 +ATOM 18678 H2 WAT X5530 55.466 13.753 49.880 0.00 0.00 +ATOM 18679 O WAT X5531 37.493 39.526 55.830 0.00 0.00 +ATOM 18680 H1 WAT X5531 37.768 40.383 55.504 0.00 0.00 +ATOM 18681 H2 WAT X5531 37.842 38.904 55.192 0.00 0.00 +ATOM 18682 O WAT X5532 3.667 9.978 10.513 0.00 0.00 +ATOM 18683 H1 WAT X5532 4.606 10.006 10.696 0.00 0.00 +ATOM 18684 H2 WAT X5532 3.594 9.451 9.717 0.00 0.00 +ATOM 18685 O WAT X5533 64.874 38.744 1.892 0.00 0.00 +ATOM 18686 H1 WAT X5533 64.274 38.144 1.449 0.00 0.00 +ATOM 18687 H2 WAT X5533 65.628 38.805 1.306 0.00 0.00 +ATOM 18688 O WAT X5534 19.761 60.051 9.784 0.00 0.00 +ATOM 18689 H1 WAT X5534 20.518 60.615 9.625 0.00 0.00 +ATOM 18690 H2 WAT X5534 20.036 59.188 9.476 0.00 0.00 +ATOM 18691 O WAT X5535 6.330 34.781 36.074 0.00 0.00 +ATOM 18692 H1 WAT X5535 5.802 35.194 36.757 0.00 0.00 +ATOM 18693 H2 WAT X5535 6.620 33.955 36.461 0.00 0.00 +ATOM 18694 O WAT X5536 41.316 49.157 35.454 0.00 0.00 +ATOM 18695 H1 WAT X5536 40.934 48.323 35.181 0.00 0.00 +ATOM 18696 H2 WAT X5536 40.837 49.815 34.950 0.00 0.00 +ATOM 18697 O WAT X5537 41.331 9.979 50.485 0.00 0.00 +ATOM 18698 H1 WAT X5537 41.027 10.450 49.709 0.00 0.00 +ATOM 18699 H2 WAT X5537 40.585 9.997 51.084 0.00 0.00 +ATOM 18700 O WAT X5538 41.761 48.227 41.792 0.00 0.00 +ATOM 18701 H1 WAT X5538 41.933 49.090 41.415 0.00 0.00 +ATOM 18702 H2 WAT X5538 42.620 47.912 42.071 0.00 0.00 +ATOM 18703 O WAT X5539 37.016 51.234 56.903 0.00 0.00 +ATOM 18704 H1 WAT X5539 36.931 50.425 56.399 0.00 0.00 +ATOM 18705 H2 WAT X5539 36.804 51.929 56.279 0.00 0.00 +ATOM 18706 O WAT X5540 4.472 62.429 4.357 0.00 0.00 +ATOM 18707 H1 WAT X5540 3.715 62.330 3.779 0.00 0.00 +ATOM 18708 H2 WAT X5540 4.707 63.354 4.288 0.00 0.00 +ATOM 18709 O WAT X5541 14.705 24.357 39.140 0.00 0.00 +ATOM 18710 H1 WAT X5541 14.356 24.115 38.282 0.00 0.00 +ATOM 18711 H2 WAT X5541 14.380 23.676 39.730 0.00 0.00 +ATOM 18712 O WAT X5542 28.400 37.488 2.831 0.00 0.00 +ATOM 18713 H1 WAT X5542 28.204 38.286 3.321 0.00 0.00 +ATOM 18714 H2 WAT X5542 28.523 37.786 1.929 0.00 0.00 +ATOM 18715 O WAT X5543 58.681 8.835 39.353 0.00 0.00 +ATOM 18716 H1 WAT X5543 57.757 8.817 39.603 0.00 0.00 +ATOM 18717 H2 WAT X5543 58.670 8.880 38.397 0.00 0.00 +ATOM 18718 O WAT X5544 9.040 20.652 18.208 0.00 0.00 +ATOM 18719 H1 WAT X5544 9.928 20.356 18.408 0.00 0.00 +ATOM 18720 H2 WAT X5544 8.725 21.036 19.026 0.00 0.00 +ATOM 18721 O WAT X5545 23.813 16.654 51.385 0.00 0.00 +ATOM 18722 H1 WAT X5545 23.766 16.300 50.497 0.00 0.00 +ATOM 18723 H2 WAT X5545 23.128 17.322 51.414 0.00 0.00 +ATOM 18724 O WAT X5546 44.549 40.388 12.928 0.00 0.00 +ATOM 18725 H1 WAT X5546 44.032 41.178 13.083 0.00 0.00 +ATOM 18726 H2 WAT X5546 44.079 39.926 12.234 0.00 0.00 +ATOM 18727 O WAT X5547 62.502 30.103 18.107 0.00 0.00 +ATOM 18728 H1 WAT X5547 62.590 30.994 17.769 0.00 0.00 +ATOM 18729 H2 WAT X5547 63.200 30.023 18.756 0.00 0.00 +ATOM 18730 O WAT X5548 6.634 19.677 4.915 0.00 0.00 +ATOM 18731 H1 WAT X5548 7.456 20.147 4.778 0.00 0.00 +ATOM 18732 H2 WAT X5548 6.327 19.469 4.033 0.00 0.00 +ATOM 18733 O WAT X5549 56.598 45.610 57.553 0.00 0.00 +ATOM 18734 H1 WAT X5549 55.978 45.594 56.823 0.00 0.00 +ATOM 18735 H2 WAT X5549 56.092 45.297 58.303 0.00 0.00 +ATOM 18736 O WAT X5550 19.767 16.590 7.562 0.00 0.00 +ATOM 18737 H1 WAT X5550 20.621 16.178 7.429 0.00 0.00 +ATOM 18738 H2 WAT X5550 19.900 17.504 7.313 0.00 0.00 +ATOM 18739 O WAT X5551 15.706 10.957 12.284 0.00 0.00 +ATOM 18740 H1 WAT X5551 14.762 10.797 12.277 0.00 0.00 +ATOM 18741 H2 WAT X5551 16.028 10.520 11.495 0.00 0.00 +ATOM 18742 O WAT X5552 54.731 63.022 28.481 0.00 0.00 +ATOM 18743 H1 WAT X5552 55.093 62.137 28.542 0.00 0.00 +ATOM 18744 H2 WAT X5552 55.151 63.502 29.195 0.00 0.00 +ATOM 18745 O WAT X5553 60.785 50.631 41.648 0.00 0.00 +ATOM 18746 H1 WAT X5553 59.830 50.562 41.640 0.00 0.00 +ATOM 18747 H2 WAT X5553 61.087 49.745 41.849 0.00 0.00 +ATOM 18748 O WAT X5554 3.902 23.574 17.204 0.00 0.00 +ATOM 18749 H1 WAT X5554 3.296 23.696 16.473 0.00 0.00 +ATOM 18750 H2 WAT X5554 4.729 23.326 16.791 0.00 0.00 +ATOM 18751 O WAT X5555 23.235 36.789 41.066 0.00 0.00 +ATOM 18752 H1 WAT X5555 24.191 36.829 41.094 0.00 0.00 +ATOM 18753 H2 WAT X5555 22.954 37.216 41.875 0.00 0.00 +ATOM 18754 O WAT X5556 32.189 59.725 45.071 0.00 0.00 +ATOM 18755 H1 WAT X5556 33.060 59.807 44.683 0.00 0.00 +ATOM 18756 H2 WAT X5556 32.306 59.997 45.981 0.00 0.00 +ATOM 18757 O WAT X5557 17.401 5.113 32.125 0.00 0.00 +ATOM 18758 H1 WAT X5557 18.209 4.846 32.562 0.00 0.00 +ATOM 18759 H2 WAT X5557 16.816 5.371 32.838 0.00 0.00 +ATOM 18760 O WAT X5558 72.143 40.075 43.940 0.00 0.00 +ATOM 18761 H1 WAT X5558 72.224 40.556 43.116 0.00 0.00 +ATOM 18762 H2 WAT X5558 71.476 40.553 44.432 0.00 0.00 +ATOM 18763 O WAT X5559 21.761 36.417 2.617 0.00 0.00 +ATOM 18764 H1 WAT X5559 22.368 35.677 2.643 0.00 0.00 +ATOM 18765 H2 WAT X5559 22.193 37.099 3.131 0.00 0.00 +ATOM 18766 O WAT X5560 31.540 8.030 53.049 0.00 0.00 +ATOM 18767 H1 WAT X5560 31.700 7.087 53.007 0.00 0.00 +ATOM 18768 H2 WAT X5560 32.319 8.422 52.655 0.00 0.00 +ATOM 18769 O WAT X5561 62.517 5.678 31.621 0.00 0.00 +ATOM 18770 H1 WAT X5561 62.286 5.900 32.523 0.00 0.00 +ATOM 18771 H2 WAT X5561 61.956 4.933 31.405 0.00 0.00 +ATOM 18772 O WAT X5562 73.305 50.234 8.649 0.00 0.00 +ATOM 18773 H1 WAT X5562 73.800 49.555 8.190 0.00 0.00 +ATOM 18774 H2 WAT X5562 72.465 50.269 8.190 0.00 0.00 +ATOM 18775 O WAT X5563 25.344 39.621 51.615 0.00 0.00 +ATOM 18776 H1 WAT X5563 24.446 39.484 51.313 0.00 0.00 +ATOM 18777 H2 WAT X5563 25.647 38.749 51.869 0.00 0.00 +ATOM 18778 O WAT X5564 46.017 58.103 7.627 0.00 0.00 +ATOM 18779 H1 WAT X5564 46.705 58.665 7.984 0.00 0.00 +ATOM 18780 H2 WAT X5564 46.440 57.252 7.509 0.00 0.00 +ATOM 18781 O WAT X5565 52.566 6.019 44.916 0.00 0.00 +ATOM 18782 H1 WAT X5565 53.137 5.371 44.504 0.00 0.00 +ATOM 18783 H2 WAT X5565 52.522 5.749 45.834 0.00 0.00 +ATOM 18784 O WAT X5566 52.508 29.724 53.185 0.00 0.00 +ATOM 18785 H1 WAT X5566 52.650 29.526 52.260 0.00 0.00 +ATOM 18786 H2 WAT X5566 53.325 29.467 53.613 0.00 0.00 +ATOM 18787 O WAT X5567 74.334 54.857 38.470 0.00 0.00 +ATOM 18788 H1 WAT X5567 73.799 54.123 38.169 0.00 0.00 +ATOM 18789 H2 WAT X5567 75.207 54.676 38.123 0.00 0.00 +ATOM 18790 O WAT X5568 56.071 51.456 21.358 0.00 0.00 +ATOM 18791 H1 WAT X5568 56.158 52.383 21.137 0.00 0.00 +ATOM 18792 H2 WAT X5568 55.126 51.300 21.365 0.00 0.00 +ATOM 18793 O WAT X5569 37.898 20.987 15.290 0.00 0.00 +ATOM 18794 H1 WAT X5569 37.727 21.254 14.386 0.00 0.00 +ATOM 18795 H2 WAT X5569 37.681 20.055 15.309 0.00 0.00 +ATOM 18796 O WAT X5570 4.474 6.161 1.587 0.00 0.00 +ATOM 18797 H1 WAT X5570 4.675 5.225 1.556 0.00 0.00 +ATOM 18798 H2 WAT X5570 5.318 6.582 1.748 0.00 0.00 +ATOM 18799 O WAT X5571 3.367 8.560 36.804 0.00 0.00 +ATOM 18800 H1 WAT X5571 3.963 8.373 36.079 0.00 0.00 +ATOM 18801 H2 WAT X5571 3.943 8.760 37.542 0.00 0.00 +ATOM 18802 O WAT X5572 67.419 56.305 27.764 0.00 0.00 +ATOM 18803 H1 WAT X5572 67.532 56.859 26.991 0.00 0.00 +ATOM 18804 H2 WAT X5572 67.898 55.503 27.555 0.00 0.00 +ATOM 18805 O WAT X5573 35.660 12.386 12.932 0.00 0.00 +ATOM 18806 H1 WAT X5573 35.986 11.494 13.047 0.00 0.00 +ATOM 18807 H2 WAT X5573 35.123 12.546 13.709 0.00 0.00 +ATOM 18808 O WAT X5574 77.185 58.289 56.205 0.00 0.00 +ATOM 18809 H1 WAT X5574 76.354 57.818 56.136 0.00 0.00 +ATOM 18810 H2 WAT X5574 77.846 57.600 56.273 0.00 0.00 +ATOM 18811 O WAT X5575 72.523 59.308 12.066 0.00 0.00 +ATOM 18812 H1 WAT X5575 72.608 58.482 12.541 0.00 0.00 +ATOM 18813 H2 WAT X5575 71.702 59.222 11.581 0.00 0.00 +ATOM 18814 O WAT X5576 10.947 35.016 46.490 0.00 0.00 +ATOM 18815 H1 WAT X5576 11.413 34.188 46.612 0.00 0.00 +ATOM 18816 H2 WAT X5576 10.252 34.998 47.147 0.00 0.00 +ATOM 18817 O WAT X5577 7.915 58.471 22.112 0.00 0.00 +ATOM 18818 H1 WAT X5577 7.848 57.990 22.937 0.00 0.00 +ATOM 18819 H2 WAT X5577 7.789 59.387 22.357 0.00 0.00 +ATOM 18820 O WAT X5578 22.870 13.752 1.269 0.00 0.00 +ATOM 18821 H1 WAT X5578 22.329 12.973 1.144 0.00 0.00 +ATOM 18822 H2 WAT X5578 22.993 13.809 2.217 0.00 0.00 +ATOM 18823 O WAT X5579 18.948 50.286 29.733 0.00 0.00 +ATOM 18824 H1 WAT X5579 19.566 50.655 30.363 0.00 0.00 +ATOM 18825 H2 WAT X5579 18.086 50.505 30.086 0.00 0.00 +ATOM 18826 O WAT X5580 70.754 8.396 29.596 0.00 0.00 +ATOM 18827 H1 WAT X5580 70.884 9.308 29.334 0.00 0.00 +ATOM 18828 H2 WAT X5580 70.112 8.057 28.972 0.00 0.00 +ATOM 18829 O WAT X5581 71.538 39.320 27.193 0.00 0.00 +ATOM 18830 H1 WAT X5581 72.104 39.555 27.928 0.00 0.00 +ATOM 18831 H2 WAT X5581 71.785 38.420 26.979 0.00 0.00 +ATOM 18832 O WAT X5582 32.508 0.576 54.077 0.00 0.00 +ATOM 18833 H1 WAT X5582 33.149 0.251 53.445 0.00 0.00 +ATOM 18834 H2 WAT X5582 32.236 1.424 53.727 0.00 0.00 +ATOM 18835 O WAT X5583 51.666 32.845 56.554 0.00 0.00 +ATOM 18836 H1 WAT X5583 50.923 33.217 56.079 0.00 0.00 +ATOM 18837 H2 WAT X5583 52.290 32.602 55.871 0.00 0.00 +ATOM 18838 O WAT X5584 71.132 13.786 50.337 0.00 0.00 +ATOM 18839 H1 WAT X5584 71.130 14.383 51.086 0.00 0.00 +ATOM 18840 H2 WAT X5584 71.691 13.059 50.612 0.00 0.00 +ATOM 18841 O WAT X5585 21.212 38.514 36.611 0.00 0.00 +ATOM 18842 H1 WAT X5585 21.671 38.708 35.794 0.00 0.00 +ATOM 18843 H2 WAT X5585 20.427 39.062 36.581 0.00 0.00 +ATOM 18844 O WAT X5586 34.520 19.854 13.909 0.00 0.00 +ATOM 18845 H1 WAT X5586 34.467 19.528 14.808 0.00 0.00 +ATOM 18846 H2 WAT X5586 33.635 20.159 13.712 0.00 0.00 +ATOM 18847 O WAT X5587 55.452 36.512 42.922 0.00 0.00 +ATOM 18848 H1 WAT X5587 55.226 37.442 42.931 0.00 0.00 +ATOM 18849 H2 WAT X5587 55.297 36.236 42.019 0.00 0.00 +ATOM 18850 O WAT X5588 58.949 61.043 3.483 0.00 0.00 +ATOM 18851 H1 WAT X5588 59.501 60.639 4.152 0.00 0.00 +ATOM 18852 H2 WAT X5588 58.896 60.387 2.788 0.00 0.00 +ATOM 18853 O WAT X5589 25.559 11.874 40.922 0.00 0.00 +ATOM 18854 H1 WAT X5589 25.215 12.762 41.010 0.00 0.00 +ATOM 18855 H2 WAT X5589 24.796 11.308 41.042 0.00 0.00 +ATOM 18856 O WAT X5590 9.339 22.053 53.026 0.00 0.00 +ATOM 18857 H1 WAT X5590 8.590 22.649 53.068 0.00 0.00 +ATOM 18858 H2 WAT X5590 10.021 22.558 52.583 0.00 0.00 +ATOM 18859 O WAT X5591 25.294 13.810 13.978 0.00 0.00 +ATOM 18860 H1 WAT X5591 24.346 13.684 13.944 0.00 0.00 +ATOM 18861 H2 WAT X5591 25.641 13.199 13.328 0.00 0.00 +ATOM 18862 O WAT X5592 15.538 62.241 18.575 0.00 0.00 +ATOM 18863 H1 WAT X5592 15.785 62.817 17.852 0.00 0.00 +ATOM 18864 H2 WAT X5592 15.061 61.524 18.157 0.00 0.00 +ATOM 18865 O WAT X5593 5.409 8.754 53.375 0.00 0.00 +ATOM 18866 H1 WAT X5593 5.111 9.256 54.133 0.00 0.00 +ATOM 18867 H2 WAT X5593 4.610 8.572 52.879 0.00 0.00 +ATOM 18868 O WAT X5594 3.782 31.566 50.350 0.00 0.00 +ATOM 18869 H1 WAT X5594 4.201 30.711 50.444 0.00 0.00 +ATOM 18870 H2 WAT X5594 3.097 31.572 51.019 0.00 0.00 +ATOM 18871 O WAT X5595 4.490 34.903 31.954 0.00 0.00 +ATOM 18872 H1 WAT X5595 4.290 35.331 32.786 0.00 0.00 +ATOM 18873 H2 WAT X5595 3.702 35.029 31.425 0.00 0.00 +ATOM 18874 O WAT X5596 46.180 23.831 18.089 0.00 0.00 +ATOM 18875 H1 WAT X5596 46.363 23.716 19.021 0.00 0.00 +ATOM 18876 H2 WAT X5596 46.198 24.778 17.956 0.00 0.00 +ATOM 18877 O WAT X5597 16.054 21.431 22.895 0.00 0.00 +ATOM 18878 H1 WAT X5597 15.243 21.939 22.869 0.00 0.00 +ATOM 18879 H2 WAT X5597 16.716 22.017 22.528 0.00 0.00 +ATOM 18880 O WAT X5598 71.491 56.968 16.310 0.00 0.00 +ATOM 18881 H1 WAT X5598 72.223 56.889 16.923 0.00 0.00 +ATOM 18882 H2 WAT X5598 71.514 56.156 15.804 0.00 0.00 +ATOM 18883 O WAT X5599 74.824 10.241 39.314 0.00 0.00 +ATOM 18884 H1 WAT X5599 74.773 9.301 39.484 0.00 0.00 +ATOM 18885 H2 WAT X5599 75.563 10.541 39.844 0.00 0.00 +ATOM 18886 O WAT X5600 66.869 53.996 55.561 0.00 0.00 +ATOM 18887 H1 WAT X5600 67.723 54.335 55.291 0.00 0.00 +ATOM 18888 H2 WAT X5600 66.236 54.545 55.098 0.00 0.00 +ATOM 18889 O WAT X5601 19.602 17.532 54.070 0.00 0.00 +ATOM 18890 H1 WAT X5601 19.786 18.317 53.553 0.00 0.00 +ATOM 18891 H2 WAT X5601 20.463 17.156 54.249 0.00 0.00 +ATOM 18892 O WAT X5602 71.351 34.597 19.986 0.00 0.00 +ATOM 18893 H1 WAT X5602 71.011 34.861 20.841 0.00 0.00 +ATOM 18894 H2 WAT X5602 71.141 33.665 19.922 0.00 0.00 +ATOM 18895 O WAT X5603 72.679 61.766 16.437 0.00 0.00 +ATOM 18896 H1 WAT X5603 71.753 61.848 16.209 0.00 0.00 +ATOM 18897 H2 WAT X5603 72.932 60.905 16.104 0.00 0.00 +ATOM 18898 O WAT X5604 1.838 7.128 45.535 0.00 0.00 +ATOM 18899 H1 WAT X5604 2.792 7.087 45.481 0.00 0.00 +ATOM 18900 H2 WAT X5604 1.643 6.970 46.459 0.00 0.00 +ATOM 18901 O WAT X5605 17.179 18.688 22.549 0.00 0.00 +ATOM 18902 H1 WAT X5605 16.789 18.847 21.689 0.00 0.00 +ATOM 18903 H2 WAT X5605 17.313 19.561 22.917 0.00 0.00 +ATOM 18904 O WAT X5606 34.355 48.856 31.888 0.00 0.00 +ATOM 18905 H1 WAT X5606 34.486 48.153 32.525 0.00 0.00 +ATOM 18906 H2 WAT X5606 33.592 48.580 31.380 0.00 0.00 +ATOM 18907 O WAT X5607 54.642 4.175 29.637 0.00 0.00 +ATOM 18908 H1 WAT X5607 54.930 4.609 30.440 0.00 0.00 +ATOM 18909 H2 WAT X5607 55.108 3.339 29.637 0.00 0.00 +ATOM 18910 O WAT X5608 46.192 28.146 13.502 0.00 0.00 +ATOM 18911 H1 WAT X5608 46.812 28.067 14.227 0.00 0.00 +ATOM 18912 H2 WAT X5608 46.148 29.086 13.325 0.00 0.00 +ATOM 18913 O WAT X5609 17.475 43.737 23.972 0.00 0.00 +ATOM 18914 H1 WAT X5609 16.693 44.289 23.972 0.00 0.00 +ATOM 18915 H2 WAT X5609 17.625 43.533 23.049 0.00 0.00 +ATOM 18916 O WAT X5610 28.813 3.743 56.572 0.00 0.00 +ATOM 18917 H1 WAT X5610 28.081 4.320 56.791 0.00 0.00 +ATOM 18918 H2 WAT X5610 29.276 3.619 57.401 0.00 0.00 +ATOM 18919 O WAT X5611 7.094 2.191 20.518 0.00 0.00 +ATOM 18920 H1 WAT X5611 6.150 2.033 20.516 0.00 0.00 +ATOM 18921 H2 WAT X5611 7.461 1.449 20.037 0.00 0.00 +ATOM 18922 O WAT X5612 65.218 15.273 35.202 0.00 0.00 +ATOM 18923 H1 WAT X5612 66.109 15.026 34.956 0.00 0.00 +ATOM 18924 H2 WAT X5612 65.134 16.183 34.916 0.00 0.00 +ATOM 18925 O WAT X5613 40.528 7.832 23.248 0.00 0.00 +ATOM 18926 H1 WAT X5613 41.432 7.920 22.948 0.00 0.00 +ATOM 18927 H2 WAT X5613 40.455 8.450 23.975 0.00 0.00 +ATOM 18928 O WAT X5614 48.935 48.452 34.113 0.00 0.00 +ATOM 18929 H1 WAT X5614 49.476 48.201 33.365 0.00 0.00 +ATOM 18930 H2 WAT X5614 48.642 47.621 34.486 0.00 0.00 +ATOM 18931 O WAT X5615 19.266 29.577 11.456 0.00 0.00 +ATOM 18932 H1 WAT X5615 19.123 29.875 12.354 0.00 0.00 +ATOM 18933 H2 WAT X5615 20.183 29.787 11.277 0.00 0.00 +ATOM 18934 O WAT X5616 39.277 16.793 2.232 0.00 0.00 +ATOM 18935 H1 WAT X5616 38.472 17.263 2.015 0.00 0.00 +ATOM 18936 H2 WAT X5616 39.546 17.156 3.076 0.00 0.00 +ATOM 18937 O WAT X5617 9.430 15.777 41.413 0.00 0.00 +ATOM 18938 H1 WAT X5617 10.052 16.466 41.645 0.00 0.00 +ATOM 18939 H2 WAT X5617 8.621 16.245 41.204 0.00 0.00 +ATOM 18940 O WAT X5618 2.636 1.805 30.309 0.00 0.00 +ATOM 18941 H1 WAT X5618 2.041 1.998 31.034 0.00 0.00 +ATOM 18942 H2 WAT X5618 2.139 1.217 29.741 0.00 0.00 +ATOM 18943 O WAT X5619 71.992 56.376 46.715 0.00 0.00 +ATOM 18944 H1 WAT X5619 71.238 56.132 46.179 0.00 0.00 +ATOM 18945 H2 WAT X5619 72.263 55.559 47.134 0.00 0.00 +ATOM 18946 O WAT X5620 51.763 9.290 25.709 0.00 0.00 +ATOM 18947 H1 WAT X5620 51.130 8.619 25.454 0.00 0.00 +ATOM 18948 H2 WAT X5620 52.555 9.071 25.216 0.00 0.00 +ATOM 18949 O WAT X5621 73.427 6.739 48.777 0.00 0.00 +ATOM 18950 H1 WAT X5621 72.883 7.375 48.312 0.00 0.00 +ATOM 18951 H2 WAT X5621 73.937 6.312 48.088 0.00 0.00 +ATOM 18952 O WAT X5622 75.492 31.129 27.380 0.00 0.00 +ATOM 18953 H1 WAT X5622 76.352 30.897 27.030 0.00 0.00 +ATOM 18954 H2 WAT X5622 75.276 31.959 26.954 0.00 0.00 +ATOM 18955 O WAT X5623 76.997 59.369 19.975 0.00 0.00 +ATOM 18956 H1 WAT X5623 76.130 59.047 20.219 0.00 0.00 +ATOM 18957 H2 WAT X5623 77.601 58.699 20.295 0.00 0.00 +ATOM 18958 O WAT X5624 59.443 56.917 13.772 0.00 0.00 +ATOM 18959 H1 WAT X5624 58.877 57.688 13.823 0.00 0.00 +ATOM 18960 H2 WAT X5624 58.894 56.197 14.083 0.00 0.00 +ATOM 18961 O WAT X5625 65.894 27.167 17.850 0.00 0.00 +ATOM 18962 H1 WAT X5625 66.161 27.096 18.766 0.00 0.00 +ATOM 18963 H2 WAT X5625 66.676 26.927 17.353 0.00 0.00 +ATOM 18964 O WAT X5626 74.186 61.206 23.688 0.00 0.00 +ATOM 18965 H1 WAT X5626 75.123 61.017 23.745 0.00 0.00 +ATOM 18966 H2 WAT X5626 74.140 62.155 23.570 0.00 0.00 +ATOM 18967 O WAT X5627 49.966 37.876 17.689 0.00 0.00 +ATOM 18968 H1 WAT X5627 49.237 38.216 18.208 0.00 0.00 +ATOM 18969 H2 WAT X5627 50.748 38.227 18.116 0.00 0.00 +ATOM 18970 O WAT X5628 67.924 35.582 20.465 0.00 0.00 +ATOM 18971 H1 WAT X5628 67.247 35.577 19.789 0.00 0.00 +ATOM 18972 H2 WAT X5628 68.476 34.828 20.257 0.00 0.00 +ATOM 18973 O WAT X5629 66.347 60.906 8.501 0.00 0.00 +ATOM 18974 H1 WAT X5629 66.596 61.475 7.773 0.00 0.00 +ATOM 18975 H2 WAT X5629 65.893 60.172 8.088 0.00 0.00 +ATOM 18976 O WAT X5630 14.852 3.785 0.510 0.00 0.00 +ATOM 18977 H1 WAT X5630 14.253 4.498 0.287 0.00 0.00 +ATOM 18978 H2 WAT X5630 14.298 3.004 0.526 0.00 0.00 +ATOM 18979 O WAT X5631 76.588 28.426 3.453 0.00 0.00 +ATOM 18980 H1 WAT X5631 75.809 28.961 3.299 0.00 0.00 +ATOM 18981 H2 WAT X5631 76.313 27.535 3.238 0.00 0.00 +ATOM 18982 O WAT X5632 5.389 45.814 37.765 0.00 0.00 +ATOM 18983 H1 WAT X5632 6.187 45.434 38.132 0.00 0.00 +ATOM 18984 H2 WAT X5632 4.826 45.967 38.524 0.00 0.00 +ATOM 18985 O WAT X5633 71.120 3.585 36.946 0.00 0.00 +ATOM 18986 H1 WAT X5633 71.218 2.946 37.653 0.00 0.00 +ATOM 18987 H2 WAT X5633 70.965 3.055 36.164 0.00 0.00 +ATOM 18988 O WAT X5634 25.135 58.065 17.679 0.00 0.00 +ATOM 18989 H1 WAT X5634 25.130 58.152 18.632 0.00 0.00 +ATOM 18990 H2 WAT X5634 24.508 58.721 17.375 0.00 0.00 +ATOM 18991 O WAT X5635 49.065 1.256 0.710 0.00 0.00 +ATOM 18992 H1 WAT X5635 49.072 1.131 -0.239 0.00 0.00 +ATOM 18993 H2 WAT X5635 49.779 1.872 0.876 0.00 0.00 +ATOM 18994 O WAT X5636 33.076 58.659 0.558 0.00 0.00 +ATOM 18995 H1 WAT X5636 33.066 57.713 0.701 0.00 0.00 +ATOM 18996 H2 WAT X5636 33.179 58.758 -0.388 0.00 0.00 +ATOM 18997 O WAT X5637 72.987 47.625 28.786 0.00 0.00 +ATOM 18998 H1 WAT X5637 73.160 47.046 28.044 0.00 0.00 +ATOM 18999 H2 WAT X5637 72.548 48.383 28.401 0.00 0.00 +ATOM 19000 O WAT X5638 16.259 19.792 17.305 0.00 0.00 +ATOM 19001 H1 WAT X5638 16.692 19.140 16.754 0.00 0.00 +ATOM 19002 H2 WAT X5638 16.744 19.768 18.130 0.00 0.00 +ATOM 19003 O WAT X5639 61.213 12.699 49.503 0.00 0.00 +ATOM 19004 H1 WAT X5639 61.779 13.352 49.916 0.00 0.00 +ATOM 19005 H2 WAT X5639 61.571 12.595 48.622 0.00 0.00 +ATOM 19006 O WAT X5640 13.485 60.436 46.187 0.00 0.00 +ATOM 19007 H1 WAT X5640 13.232 59.515 46.130 0.00 0.00 +ATOM 19008 H2 WAT X5640 14.356 60.422 46.583 0.00 0.00 +ATOM 19009 O WAT X5641 11.432 7.309 3.304 0.00 0.00 +ATOM 19010 H1 WAT X5641 11.362 8.173 3.710 0.00 0.00 +ATOM 19011 H2 WAT X5641 12.330 7.031 3.484 0.00 0.00 +ATOM 19012 O WAT X5642 55.074 30.164 0.997 0.00 0.00 +ATOM 19013 H1 WAT X5642 54.309 29.935 0.469 0.00 0.00 +ATOM 19014 H2 WAT X5642 55.256 29.377 1.510 0.00 0.00 +ATOM 19015 O WAT X5643 74.622 2.697 45.605 0.00 0.00 +ATOM 19016 H1 WAT X5643 74.163 3.536 45.578 0.00 0.00 +ATOM 19017 H2 WAT X5643 75.104 2.714 46.432 0.00 0.00 +ATOM 19018 O WAT X5644 35.247 27.242 56.789 0.00 0.00 +ATOM 19019 H1 WAT X5644 35.242 26.465 57.347 0.00 0.00 +ATOM 19020 H2 WAT X5644 35.761 27.885 57.278 0.00 0.00 +ATOM 19021 O WAT X5645 6.783 37.318 10.772 0.00 0.00 +ATOM 19022 H1 WAT X5645 6.408 36.643 11.337 0.00 0.00 +ATOM 19023 H2 WAT X5645 6.530 37.059 9.887 0.00 0.00 +ATOM 19024 O WAT X5646 35.640 47.535 3.590 0.00 0.00 +ATOM 19025 H1 WAT X5646 36.532 47.562 3.936 0.00 0.00 +ATOM 19026 H2 WAT X5646 35.678 48.058 2.789 0.00 0.00 +ATOM 19027 O WAT X5647 34.167 58.763 56.071 0.00 0.00 +ATOM 19028 H1 WAT X5647 33.318 59.200 56.008 0.00 0.00 +ATOM 19029 H2 WAT X5647 34.256 58.291 55.244 0.00 0.00 +ATOM 19030 O WAT X5648 34.614 12.560 21.262 0.00 0.00 +ATOM 19031 H1 WAT X5648 34.171 13.394 21.422 0.00 0.00 +ATOM 19032 H2 WAT X5648 35.206 12.740 20.532 0.00 0.00 +ATOM 19033 O WAT X5649 67.327 15.773 7.277 0.00 0.00 +ATOM 19034 H1 WAT X5649 67.056 16.429 7.919 0.00 0.00 +ATOM 19035 H2 WAT X5649 67.524 14.995 7.799 0.00 0.00 +ATOM 19036 O WAT X5650 8.102 3.273 11.786 0.00 0.00 +ATOM 19037 H1 WAT X5650 7.526 2.745 12.339 0.00 0.00 +ATOM 19038 H2 WAT X5650 8.962 3.201 12.199 0.00 0.00 +ATOM 19039 O WAT X5651 34.180 17.649 7.407 0.00 0.00 +ATOM 19040 H1 WAT X5651 33.427 17.059 7.366 0.00 0.00 +ATOM 19041 H2 WAT X5651 34.684 17.341 8.160 0.00 0.00 +ATOM 19042 O WAT X5652 7.928 6.367 30.246 0.00 0.00 +ATOM 19043 H1 WAT X5652 7.937 5.919 31.091 0.00 0.00 +ATOM 19044 H2 WAT X5652 7.000 6.429 30.018 0.00 0.00 +ATOM 19045 O WAT X5653 27.041 41.508 7.595 0.00 0.00 +ATOM 19046 H1 WAT X5653 26.428 40.773 7.578 0.00 0.00 +ATOM 19047 H2 WAT X5653 26.537 42.248 7.256 0.00 0.00 +ATOM 19048 O WAT X5654 74.272 59.711 48.896 0.00 0.00 +ATOM 19049 H1 WAT X5654 73.825 60.245 48.240 0.00 0.00 +ATOM 19050 H2 WAT X5654 74.833 60.329 49.365 0.00 0.00 +ATOM 19051 O WAT X5655 25.758 36.317 1.310 0.00 0.00 +ATOM 19052 H1 WAT X5655 26.079 35.695 1.963 0.00 0.00 +ATOM 19053 H2 WAT X5655 26.549 36.644 0.881 0.00 0.00 +ATOM 19054 O WAT X5656 67.697 45.523 46.766 0.00 0.00 +ATOM 19055 H1 WAT X5656 67.272 46.263 46.334 0.00 0.00 +ATOM 19056 H2 WAT X5656 67.035 45.184 47.368 0.00 0.00 +ATOM 19057 O WAT X5657 42.689 3.582 55.722 0.00 0.00 +ATOM 19058 H1 WAT X5657 43.574 3.548 56.085 0.00 0.00 +ATOM 19059 H2 WAT X5657 42.754 4.191 54.987 0.00 0.00 +ATOM 19060 O WAT X5658 4.303 57.284 28.578 0.00 0.00 +ATOM 19061 H1 WAT X5658 4.824 56.847 29.253 0.00 0.00 +ATOM 19062 H2 WAT X5658 3.540 57.623 29.046 0.00 0.00 +ATOM 19063 O WAT X5659 12.875 10.469 17.468 0.00 0.00 +ATOM 19064 H1 WAT X5659 12.345 9.683 17.599 0.00 0.00 +ATOM 19065 H2 WAT X5659 13.507 10.455 18.186 0.00 0.00 +ATOM 19066 O WAT X5660 59.341 24.607 30.592 0.00 0.00 +ATOM 19067 H1 WAT X5660 58.729 24.314 31.268 0.00 0.00 +ATOM 19068 H2 WAT X5660 59.116 24.084 29.823 0.00 0.00 +ATOM 19069 O WAT X5661 74.187 42.554 30.468 0.00 0.00 +ATOM 19070 H1 WAT X5661 74.632 42.682 31.306 0.00 0.00 +ATOM 19071 H2 WAT X5661 73.616 43.317 30.381 0.00 0.00 +ATOM 19072 O WAT X5662 37.536 2.894 46.792 0.00 0.00 +ATOM 19073 H1 WAT X5662 37.706 1.992 46.519 0.00 0.00 +ATOM 19074 H2 WAT X5662 38.245 3.098 47.401 0.00 0.00 +ATOM 19075 O WAT X5663 11.276 4.850 55.004 0.00 0.00 +ATOM 19076 H1 WAT X5663 11.713 5.695 55.110 0.00 0.00 +ATOM 19077 H2 WAT X5663 11.369 4.647 54.073 0.00 0.00 +ATOM 19078 O WAT X5664 4.576 42.151 9.141 0.00 0.00 +ATOM 19079 H1 WAT X5664 5.246 41.657 9.613 0.00 0.00 +ATOM 19080 H2 WAT X5664 4.827 42.074 8.220 0.00 0.00 +ATOM 19081 O WAT X5665 46.788 4.536 2.023 0.00 0.00 +ATOM 19082 H1 WAT X5665 46.423 5.334 2.406 0.00 0.00 +ATOM 19083 H2 WAT X5665 46.451 3.830 2.575 0.00 0.00 +ATOM 19084 O WAT X5666 12.587 60.798 51.729 0.00 0.00 +ATOM 19085 H1 WAT X5666 11.802 60.916 51.194 0.00 0.00 +ATOM 19086 H2 WAT X5666 12.666 61.615 52.221 0.00 0.00 +ATOM 19087 O WAT X5667 15.323 17.080 11.427 0.00 0.00 +ATOM 19088 H1 WAT X5667 14.517 16.596 11.248 0.00 0.00 +ATOM 19089 H2 WAT X5667 15.089 17.997 11.283 0.00 0.00 +ATOM 19090 O WAT X5668 72.211 45.870 53.946 0.00 0.00 +ATOM 19091 H1 WAT X5668 72.263 45.480 53.073 0.00 0.00 +ATOM 19092 H2 WAT X5668 72.912 45.445 54.440 0.00 0.00 +ATOM 19093 O WAT X5669 21.865 54.024 56.653 0.00 0.00 +ATOM 19094 H1 WAT X5669 21.780 53.525 55.841 0.00 0.00 +ATOM 19095 H2 WAT X5669 21.091 53.785 57.164 0.00 0.00 +ATOM 19096 O WAT X5670 29.886 0.545 36.559 0.00 0.00 +ATOM 19097 H1 WAT X5670 29.082 1.047 36.428 0.00 0.00 +ATOM 19098 H2 WAT X5670 30.512 1.180 36.906 0.00 0.00 +ATOM 19099 O WAT X5671 7.934 50.440 19.542 0.00 0.00 +ATOM 19100 H1 WAT X5671 7.743 51.183 20.115 0.00 0.00 +ATOM 19101 H2 WAT X5671 7.916 50.808 18.659 0.00 0.00 +ATOM 19102 O WAT X5672 45.692 7.017 54.041 0.00 0.00 +ATOM 19103 H1 WAT X5672 46.296 6.654 54.689 0.00 0.00 +ATOM 19104 H2 WAT X5672 46.241 7.205 53.280 0.00 0.00 +ATOM 19105 O WAT X5673 66.532 14.858 23.865 0.00 0.00 +ATOM 19106 H1 WAT X5673 65.925 14.226 23.478 0.00 0.00 +ATOM 19107 H2 WAT X5673 66.963 15.266 23.114 0.00 0.00 +ATOM 19108 O WAT X5674 37.141 43.241 0.244 0.00 0.00 +ATOM 19109 H1 WAT X5674 37.496 42.863 -0.560 0.00 0.00 +ATOM 19110 H2 WAT X5674 37.459 42.666 0.940 0.00 0.00 +ATOM 19111 O WAT X5675 45.985 28.876 10.319 0.00 0.00 +ATOM 19112 H1 WAT X5675 46.015 29.826 10.207 0.00 0.00 +ATOM 19113 H2 WAT X5675 45.987 28.747 11.267 0.00 0.00 +ATOM 19114 O WAT X5676 33.815 23.230 15.740 0.00 0.00 +ATOM 19115 H1 WAT X5676 33.228 22.581 16.128 0.00 0.00 +ATOM 19116 H2 WAT X5676 34.332 23.556 16.477 0.00 0.00 +ATOM 19117 O WAT X5677 27.510 10.042 5.905 0.00 0.00 +ATOM 19118 H1 WAT X5677 28.178 9.591 6.422 0.00 0.00 +ATOM 19119 H2 WAT X5677 26.767 9.440 5.896 0.00 0.00 +ATOM 19120 O WAT X5678 16.355 21.397 6.695 0.00 0.00 +ATOM 19121 H1 WAT X5678 15.978 21.855 7.446 0.00 0.00 +ATOM 19122 H2 WAT X5678 16.291 20.469 6.922 0.00 0.00 +ATOM 19123 O WAT X5679 37.088 58.226 55.576 0.00 0.00 +ATOM 19124 H1 WAT X5679 36.165 58.171 55.326 0.00 0.00 +ATOM 19125 H2 WAT X5679 37.293 57.360 55.928 0.00 0.00 +ATOM 19126 O WAT X5680 62.276 51.187 19.487 0.00 0.00 +ATOM 19127 H1 WAT X5680 61.792 50.611 20.078 0.00 0.00 +ATOM 19128 H2 WAT X5680 62.819 50.596 18.967 0.00 0.00 +ATOM 19129 O WAT X5681 8.336 51.807 27.240 0.00 0.00 +ATOM 19130 H1 WAT X5681 7.516 51.421 26.932 0.00 0.00 +ATOM 19131 H2 WAT X5681 8.067 52.432 27.914 0.00 0.00 +ATOM 19132 O WAT X5682 44.252 14.956 54.975 0.00 0.00 +ATOM 19133 H1 WAT X5682 43.340 15.221 54.859 0.00 0.00 +ATOM 19134 H2 WAT X5682 44.571 14.799 54.086 0.00 0.00 +ATOM 19135 O WAT X5683 29.030 15.719 43.932 0.00 0.00 +ATOM 19136 H1 WAT X5683 28.971 15.121 44.677 0.00 0.00 +ATOM 19137 H2 WAT X5683 28.154 15.707 43.545 0.00 0.00 +ATOM 19138 O WAT X5684 30.745 14.567 47.786 0.00 0.00 +ATOM 19139 H1 WAT X5684 29.875 14.170 47.806 0.00 0.00 +ATOM 19140 H2 WAT X5684 30.996 14.546 46.862 0.00 0.00 +ATOM 19141 O WAT X5685 56.509 28.413 2.550 0.00 0.00 +ATOM 19142 H1 WAT X5685 56.194 28.207 3.430 0.00 0.00 +ATOM 19143 H2 WAT X5685 56.678 27.560 2.150 0.00 0.00 +ATOM 19144 O WAT X5686 42.393 5.551 42.593 0.00 0.00 +ATOM 19145 H1 WAT X5686 41.487 5.818 42.439 0.00 0.00 +ATOM 19146 H2 WAT X5686 42.661 5.134 41.774 0.00 0.00 +ATOM 19147 O WAT X5687 48.566 49.149 45.718 0.00 0.00 +ATOM 19148 H1 WAT X5687 47.832 49.304 46.313 0.00 0.00 +ATOM 19149 H2 WAT X5687 49.196 49.837 45.931 0.00 0.00 +ATOM 19150 O WAT X5688 9.169 43.326 10.236 0.00 0.00 +ATOM 19151 H1 WAT X5688 8.318 43.576 9.877 0.00 0.00 +ATOM 19152 H2 WAT X5688 9.182 42.371 10.180 0.00 0.00 +ATOM 19153 O WAT X5689 76.120 2.161 0.826 0.00 0.00 +ATOM 19154 H1 WAT X5689 75.425 2.753 0.539 0.00 0.00 +ATOM 19155 H2 WAT X5689 75.976 1.360 0.322 0.00 0.00 +ATOM 19156 O WAT X5690 63.935 52.319 15.084 0.00 0.00 +ATOM 19157 H1 WAT X5690 63.571 53.071 14.616 0.00 0.00 +ATOM 19158 H2 WAT X5690 64.294 52.690 15.890 0.00 0.00 +ATOM 19159 O WAT X5691 64.442 22.297 41.196 0.00 0.00 +ATOM 19160 H1 WAT X5691 65.266 22.750 41.018 0.00 0.00 +ATOM 19161 H2 WAT X5691 63.857 22.982 41.519 0.00 0.00 +ATOM 19162 O WAT X5692 20.315 6.941 57.219 0.00 0.00 +ATOM 19163 H1 WAT X5692 19.715 6.835 56.481 0.00 0.00 +ATOM 19164 H2 WAT X5692 19.935 6.405 57.916 0.00 0.00 +ATOM 19165 O WAT X5693 54.096 8.469 24.577 0.00 0.00 +ATOM 19166 H1 WAT X5693 54.031 8.318 23.634 0.00 0.00 +ATOM 19167 H2 WAT X5693 54.503 7.673 24.920 0.00 0.00 +ATOM 19168 O WAT X5694 4.351 52.256 44.779 0.00 0.00 +ATOM 19169 H1 WAT X5694 3.503 51.830 44.654 0.00 0.00 +ATOM 19170 H2 WAT X5694 4.708 52.342 43.895 0.00 0.00 +ATOM 19171 O WAT X5695 28.942 3.735 13.313 0.00 0.00 +ATOM 19172 H1 WAT X5695 28.213 3.759 12.692 0.00 0.00 +ATOM 19173 H2 WAT X5695 29.613 3.213 12.874 0.00 0.00 +ATOM 19174 O WAT X5696 18.699 0.789 8.165 0.00 0.00 +ATOM 19175 H1 WAT X5696 18.745 0.117 7.485 0.00 0.00 +ATOM 19176 H2 WAT X5696 18.000 0.492 8.748 0.00 0.00 +ATOM 19177 O WAT X5697 11.843 10.669 51.461 0.00 0.00 +ATOM 19178 H1 WAT X5697 11.561 11.584 51.460 0.00 0.00 +ATOM 19179 H2 WAT X5697 12.586 10.647 50.858 0.00 0.00 +ATOM 19180 O WAT X5698 49.852 5.902 10.546 0.00 0.00 +ATOM 19181 H1 WAT X5698 49.039 5.771 10.058 0.00 0.00 +ATOM 19182 H2 WAT X5698 49.635 5.654 11.445 0.00 0.00 +ATOM 19183 O WAT X5699 34.084 52.206 31.846 0.00 0.00 +ATOM 19184 H1 WAT X5699 33.972 51.831 32.719 0.00 0.00 +ATOM 19185 H2 WAT X5699 33.857 53.130 31.951 0.00 0.00 +ATOM 19186 O WAT X5700 57.223 41.146 55.841 0.00 0.00 +ATOM 19187 H1 WAT X5700 56.462 40.599 56.033 0.00 0.00 +ATOM 19188 H2 WAT X5700 57.073 41.460 54.949 0.00 0.00 +ATOM 19189 O WAT X5701 3.778 26.730 16.335 0.00 0.00 +ATOM 19190 H1 WAT X5701 3.011 26.167 16.228 0.00 0.00 +ATOM 19191 H2 WAT X5701 4.523 26.153 16.163 0.00 0.00 +ATOM 19192 O WAT X5702 42.667 0.874 0.418 0.00 0.00 +ATOM 19193 H1 WAT X5702 42.223 0.982 1.259 0.00 0.00 +ATOM 19194 H2 WAT X5702 43.558 1.185 0.575 0.00 0.00 +ATOM 19195 O WAT X5703 6.544 49.530 10.380 0.00 0.00 +ATOM 19196 H1 WAT X5703 7.055 50.261 10.031 0.00 0.00 +ATOM 19197 H2 WAT X5703 6.439 48.935 9.638 0.00 0.00 +ATOM 19198 O WAT X5704 21.373 60.357 53.133 0.00 0.00 +ATOM 19199 H1 WAT X5704 21.012 60.690 53.955 0.00 0.00 +ATOM 19200 H2 WAT X5704 22.318 60.480 53.219 0.00 0.00 +ATOM 19201 O WAT X5705 16.538 28.125 48.495 0.00 0.00 +ATOM 19202 H1 WAT X5705 17.184 28.749 48.827 0.00 0.00 +ATOM 19203 H2 WAT X5705 16.141 27.750 49.281 0.00 0.00 +ATOM 19204 O WAT X5706 23.355 53.458 45.821 0.00 0.00 +ATOM 19205 H1 WAT X5706 23.460 54.148 45.166 0.00 0.00 +ATOM 19206 H2 WAT X5706 23.785 53.804 46.603 0.00 0.00 +ATOM 19207 O WAT X5707 62.626 31.245 12.539 0.00 0.00 +ATOM 19208 H1 WAT X5707 63.328 30.595 12.575 0.00 0.00 +ATOM 19209 H2 WAT X5707 62.916 31.874 11.878 0.00 0.00 +ATOM 19210 O WAT X5708 36.478 25.143 16.303 0.00 0.00 +ATOM 19211 H1 WAT X5708 36.373 24.481 16.987 0.00 0.00 +ATOM 19212 H2 WAT X5708 36.218 25.964 16.722 0.00 0.00 +ATOM 19213 O WAT X5709 69.121 1.527 49.692 0.00 0.00 +ATOM 19214 H1 WAT X5709 68.345 1.108 50.063 0.00 0.00 +ATOM 19215 H2 WAT X5709 69.587 1.882 50.450 0.00 0.00 +ATOM 19216 O WAT X5710 64.646 46.939 43.132 0.00 0.00 +ATOM 19217 H1 WAT X5710 65.526 47.027 42.767 0.00 0.00 +ATOM 19218 H2 WAT X5710 64.078 47.380 42.500 0.00 0.00 +ATOM 19219 O WAT X5711 5.313 38.030 22.343 0.00 0.00 +ATOM 19220 H1 WAT X5711 5.428 37.830 21.414 0.00 0.00 +ATOM 19221 H2 WAT X5711 4.397 37.819 22.521 0.00 0.00 +ATOM 19222 O WAT X5712 51.665 2.638 9.847 0.00 0.00 +ATOM 19223 H1 WAT X5712 51.547 2.884 8.930 0.00 0.00 +ATOM 19224 H2 WAT X5712 52.395 3.180 10.149 0.00 0.00 +ATOM 19225 O WAT X5713 29.990 38.749 51.122 0.00 0.00 +ATOM 19226 H1 WAT X5713 29.180 39.244 51.002 0.00 0.00 +ATOM 19227 H2 WAT X5713 30.073 38.228 50.323 0.00 0.00 +ATOM 19228 O WAT X5714 23.046 40.666 1.988 0.00 0.00 +ATOM 19229 H1 WAT X5714 23.445 41.330 2.549 0.00 0.00 +ATOM 19230 H2 WAT X5714 23.770 40.087 1.750 0.00 0.00 +ATOM 19231 O WAT X5715 75.671 47.878 55.428 0.00 0.00 +ATOM 19232 H1 WAT X5715 74.977 48.393 55.840 0.00 0.00 +ATOM 19233 H2 WAT X5715 76.480 48.328 55.672 0.00 0.00 +ATOM 19234 O WAT X5716 21.368 61.137 15.545 0.00 0.00 +ATOM 19235 H1 WAT X5716 20.682 61.701 15.903 0.00 0.00 +ATOM 19236 H2 WAT X5716 20.922 60.603 14.888 0.00 0.00 +ATOM 19237 O WAT X5717 69.570 40.923 26.329 0.00 0.00 +ATOM 19238 H1 WAT X5717 70.212 40.366 26.770 0.00 0.00 +ATOM 19239 H2 WAT X5717 69.954 41.799 26.356 0.00 0.00 +ATOM 19240 O WAT X5718 7.078 46.024 25.396 0.00 0.00 +ATOM 19241 H1 WAT X5718 7.398 45.269 25.889 0.00 0.00 +ATOM 19242 H2 WAT X5718 7.817 46.282 24.846 0.00 0.00 +ATOM 19243 O WAT X5719 46.380 45.133 15.769 0.00 0.00 +ATOM 19244 H1 WAT X5719 47.032 44.463 15.562 0.00 0.00 +ATOM 19245 H2 WAT X5719 46.625 45.882 15.224 0.00 0.00 +ATOM 19246 O WAT X5720 42.462 5.996 19.345 0.00 0.00 +ATOM 19247 H1 WAT X5720 41.793 6.125 18.672 0.00 0.00 +ATOM 19248 H2 WAT X5720 42.655 6.878 19.663 0.00 0.00 +ATOM 19249 O WAT X5721 25.222 18.537 44.240 0.00 0.00 +ATOM 19250 H1 WAT X5721 25.535 18.185 43.407 0.00 0.00 +ATOM 19251 H2 WAT X5721 24.309 18.770 44.074 0.00 0.00 +ATOM 19252 O WAT X5722 41.486 16.560 24.020 0.00 0.00 +ATOM 19253 H1 WAT X5722 42.288 16.275 24.460 0.00 0.00 +ATOM 19254 H2 WAT X5722 41.632 17.487 23.834 0.00 0.00 +ATOM 19255 O WAT X5723 16.885 32.008 25.805 0.00 0.00 +ATOM 19256 H1 WAT X5723 17.610 32.323 25.265 0.00 0.00 +ATOM 19257 H2 WAT X5723 16.913 31.056 25.712 0.00 0.00 +ATOM 19258 O WAT X5724 17.658 1.466 28.038 0.00 0.00 +ATOM 19259 H1 WAT X5724 17.407 2.276 28.483 0.00 0.00 +ATOM 19260 H2 WAT X5724 17.401 1.604 27.127 0.00 0.00 +ATOM 19261 O WAT X5725 17.574 17.093 51.682 0.00 0.00 +ATOM 19262 H1 WAT X5725 17.920 17.939 51.967 0.00 0.00 +ATOM 19263 H2 WAT X5725 17.419 16.612 52.495 0.00 0.00 +ATOM 19264 O WAT X5726 12.899 38.051 50.516 0.00 0.00 +ATOM 19265 H1 WAT X5726 12.893 37.266 51.064 0.00 0.00 +ATOM 19266 H2 WAT X5726 11.974 38.262 50.390 0.00 0.00 +ATOM 19267 O WAT X5727 4.616 16.377 10.991 0.00 0.00 +ATOM 19268 H1 WAT X5727 4.328 16.804 10.184 0.00 0.00 +ATOM 19269 H2 WAT X5727 5.093 17.057 11.465 0.00 0.00 +ATOM 19270 O WAT X5728 12.251 19.758 21.891 0.00 0.00 +ATOM 19271 H1 WAT X5728 12.127 19.072 21.234 0.00 0.00 +ATOM 19272 H2 WAT X5728 12.864 19.378 22.520 0.00 0.00 +ATOM 19273 O WAT X5729 64.886 43.399 1.200 0.00 0.00 +ATOM 19274 H1 WAT X5729 64.145 43.398 1.806 0.00 0.00 +ATOM 19275 H2 WAT X5729 65.593 42.975 1.686 0.00 0.00 +ATOM 19276 O WAT X5730 30.439 25.350 48.974 0.00 0.00 +ATOM 19277 H1 WAT X5730 30.384 24.739 48.239 0.00 0.00 +ATOM 19278 H2 WAT X5730 31.308 25.200 49.345 0.00 0.00 +ATOM 19279 O WAT X5731 27.972 5.484 7.808 0.00 0.00 +ATOM 19280 H1 WAT X5731 28.237 4.575 7.668 0.00 0.00 +ATOM 19281 H2 WAT X5731 28.393 5.968 7.098 0.00 0.00 +ATOM 19282 O WAT X5732 18.111 59.703 49.153 0.00 0.00 +ATOM 19283 H1 WAT X5732 17.580 59.821 48.365 0.00 0.00 +ATOM 19284 H2 WAT X5732 18.906 60.208 48.985 0.00 0.00 +ATOM 19285 O WAT X5733 1.720 23.268 25.918 0.00 0.00 +ATOM 19286 H1 WAT X5733 1.395 23.906 25.282 0.00 0.00 +ATOM 19287 H2 WAT X5733 1.052 22.583 25.932 0.00 0.00 +ATOM 19288 O WAT X5734 21.768 23.401 38.613 0.00 0.00 +ATOM 19289 H1 WAT X5734 20.937 23.865 38.518 0.00 0.00 +ATOM 19290 H2 WAT X5734 21.689 22.645 38.031 0.00 0.00 +ATOM 19291 O WAT X5735 62.823 55.453 43.837 0.00 0.00 +ATOM 19292 H1 WAT X5735 62.876 54.585 43.436 0.00 0.00 +ATOM 19293 H2 WAT X5735 63.724 55.774 43.831 0.00 0.00 +ATOM 19294 O WAT X5736 13.839 7.001 35.153 0.00 0.00 +ATOM 19295 H1 WAT X5736 13.996 7.363 34.281 0.00 0.00 +ATOM 19296 H2 WAT X5736 13.271 7.642 35.580 0.00 0.00 +ATOM 19297 O WAT X5737 60.405 8.509 9.478 0.00 0.00 +ATOM 19298 H1 WAT X5737 60.351 8.808 10.386 0.00 0.00 +ATOM 19299 H2 WAT X5737 59.493 8.450 9.191 0.00 0.00 +ATOM 19300 O WAT X5738 39.944 45.224 58.409 0.00 0.00 +ATOM 19301 H1 WAT X5738 40.025 44.362 58.817 0.00 0.00 +ATOM 19302 H2 WAT X5738 40.714 45.296 57.846 0.00 0.00 +ATOM 19303 O WAT X5739 19.373 13.639 25.564 0.00 0.00 +ATOM 19304 H1 WAT X5739 20.035 13.989 26.161 0.00 0.00 +ATOM 19305 H2 WAT X5739 19.666 12.747 25.379 0.00 0.00 +ATOM 19306 O WAT X5740 53.690 28.253 22.164 0.00 0.00 +ATOM 19307 H1 WAT X5740 53.256 28.946 22.662 0.00 0.00 +ATOM 19308 H2 WAT X5740 54.517 28.110 22.624 0.00 0.00 +ATOM 19309 O WAT X5741 32.007 45.826 17.944 0.00 0.00 +ATOM 19310 H1 WAT X5741 32.519 45.736 17.141 0.00 0.00 +ATOM 19311 H2 WAT X5741 32.606 46.240 18.565 0.00 0.00 +ATOM 19312 O WAT X5742 49.901 17.853 45.937 0.00 0.00 +ATOM 19313 H1 WAT X5742 50.260 17.618 46.793 0.00 0.00 +ATOM 19314 H2 WAT X5742 50.124 18.777 45.829 0.00 0.00 +ATOM 19315 O WAT X5743 33.777 39.718 54.624 0.00 0.00 +ATOM 19316 H1 WAT X5743 32.838 39.599 54.768 0.00 0.00 +ATOM 19317 H2 WAT X5743 34.165 39.642 55.495 0.00 0.00 +ATOM 19318 O WAT X5744 14.819 23.130 8.486 0.00 0.00 +ATOM 19319 H1 WAT X5744 14.127 22.913 7.860 0.00 0.00 +ATOM 19320 H2 WAT X5744 14.757 24.079 8.592 0.00 0.00 +ATOM 19321 O WAT X5745 6.978 49.968 43.330 0.00 0.00 +ATOM 19322 H1 WAT X5745 6.929 49.246 42.703 0.00 0.00 +ATOM 19323 H2 WAT X5745 7.414 50.672 42.851 0.00 0.00 +ATOM 19324 O WAT X5746 39.703 22.770 13.221 0.00 0.00 +ATOM 19325 H1 WAT X5746 39.226 23.539 13.533 0.00 0.00 +ATOM 19326 H2 WAT X5746 40.621 22.965 13.411 0.00 0.00 +ATOM 19327 O WAT X5747 14.226 54.690 3.350 0.00 0.00 +ATOM 19328 H1 WAT X5747 14.347 54.154 4.133 0.00 0.00 +ATOM 19329 H2 WAT X5747 14.558 54.148 2.634 0.00 0.00 +ATOM 19330 O WAT X5748 -0.197 35.511 52.029 0.00 0.00 +ATOM 19331 H1 WAT X5748 -0.089 35.098 51.172 0.00 0.00 +ATOM 19332 H2 WAT X5748 0.599 35.280 52.508 0.00 0.00 +ATOM 19333 O WAT X5749 21.916 17.458 16.308 0.00 0.00 +ATOM 19334 H1 WAT X5749 22.548 17.120 16.943 0.00 0.00 +ATOM 19335 H2 WAT X5749 22.280 18.300 16.034 0.00 0.00 +ATOM 19336 O WAT X5750 46.113 8.153 58.147 0.00 0.00 +ATOM 19337 H1 WAT X5750 45.503 8.239 57.414 0.00 0.00 +ATOM 19338 H2 WAT X5750 46.904 8.606 57.854 0.00 0.00 +ATOM 19339 O WAT X5751 53.987 49.382 7.412 0.00 0.00 +ATOM 19340 H1 WAT X5751 54.674 50.037 7.534 0.00 0.00 +ATOM 19341 H2 WAT X5751 53.912 48.952 8.264 0.00 0.00 +ATOM 19342 O WAT X5752 66.216 22.378 43.507 0.00 0.00 +ATOM 19343 H1 WAT X5752 65.797 22.388 44.367 0.00 0.00 +ATOM 19344 H2 WAT X5752 67.019 21.875 43.637 0.00 0.00 +ATOM 19345 O WAT X5753 70.502 1.842 10.188 0.00 0.00 +ATOM 19346 H1 WAT X5753 71.129 1.243 9.783 0.00 0.00 +ATOM 19347 H2 WAT X5753 70.865 2.713 10.028 0.00 0.00 +ATOM 19348 O WAT X5754 21.709 35.896 9.142 0.00 0.00 +ATOM 19349 H1 WAT X5754 22.213 36.665 8.876 0.00 0.00 +ATOM 19350 H2 WAT X5754 20.976 36.252 9.643 0.00 0.00 +ATOM 19351 O WAT X5755 31.842 14.280 34.214 0.00 0.00 +ATOM 19352 H1 WAT X5755 32.784 14.414 34.312 0.00 0.00 +ATOM 19353 H2 WAT X5755 31.469 15.161 34.262 0.00 0.00 +ATOM 19354 O WAT X5756 24.303 59.148 36.158 0.00 0.00 +ATOM 19355 H1 WAT X5756 24.214 58.201 36.264 0.00 0.00 +ATOM 19356 H2 WAT X5756 23.402 59.470 36.126 0.00 0.00 +ATOM 19357 O WAT X5757 72.396 53.470 48.075 0.00 0.00 +ATOM 19358 H1 WAT X5757 72.316 52.611 48.488 0.00 0.00 +ATOM 19359 H2 WAT X5757 71.940 53.378 47.238 0.00 0.00 +ATOM 19360 O WAT X5758 34.427 60.489 20.153 0.00 0.00 +ATOM 19361 H1 WAT X5758 34.672 61.383 19.913 0.00 0.00 +ATOM 19362 H2 WAT X5758 34.205 60.070 19.322 0.00 0.00 +ATOM 19363 O WAT X5759 70.801 29.246 26.425 0.00 0.00 +ATOM 19364 H1 WAT X5759 71.068 28.333 26.528 0.00 0.00 +ATOM 19365 H2 WAT X5759 71.346 29.727 27.048 0.00 0.00 +ATOM 19366 O WAT X5760 68.570 4.781 13.762 0.00 0.00 +ATOM 19367 H1 WAT X5760 68.403 4.424 12.890 0.00 0.00 +ATOM 19368 H2 WAT X5760 69.240 4.207 14.133 0.00 0.00 +ATOM 19369 O WAT X5761 28.735 4.059 4.577 0.00 0.00 +ATOM 19370 H1 WAT X5761 27.879 4.252 4.195 0.00 0.00 +ATOM 19371 H2 WAT X5761 28.614 3.223 5.026 0.00 0.00 +ATOM 19372 O WAT X5762 14.665 43.960 31.344 0.00 0.00 +ATOM 19373 H1 WAT X5762 13.842 43.473 31.377 0.00 0.00 +ATOM 19374 H2 WAT X5762 14.683 44.341 30.466 0.00 0.00 +ATOM 19375 O WAT X5763 63.727 10.380 12.185 0.00 0.00 +ATOM 19376 H1 WAT X5763 63.572 11.083 12.816 0.00 0.00 +ATOM 19377 H2 WAT X5763 63.680 10.810 11.331 0.00 0.00 +ATOM 19378 O WAT X5764 30.284 6.557 49.591 0.00 0.00 +ATOM 19379 H1 WAT X5764 30.713 6.541 48.735 0.00 0.00 +ATOM 19380 H2 WAT X5764 30.509 5.715 49.987 0.00 0.00 +ATOM 19381 O WAT X5765 24.807 0.579 14.255 0.00 0.00 +ATOM 19382 H1 WAT X5765 24.873 -0.018 15.001 0.00 0.00 +ATOM 19383 H2 WAT X5765 25.602 1.111 14.304 0.00 0.00 +ATOM 19384 O WAT X5766 30.990 43.814 38.461 0.00 0.00 +ATOM 19385 H1 WAT X5766 31.292 43.224 39.152 0.00 0.00 +ATOM 19386 H2 WAT X5766 30.314 43.317 38.001 0.00 0.00 +ATOM 19387 O WAT X5767 27.991 37.562 47.409 0.00 0.00 +ATOM 19388 H1 WAT X5767 28.214 36.945 46.712 0.00 0.00 +ATOM 19389 H2 WAT X5767 28.770 37.590 47.963 0.00 0.00 +ATOM 19390 O WAT X5768 14.993 37.336 43.948 0.00 0.00 +ATOM 19391 H1 WAT X5768 15.317 37.252 43.051 0.00 0.00 +ATOM 19392 H2 WAT X5768 15.525 38.034 44.330 0.00 0.00 +ATOM 19393 O WAT X5769 35.489 57.025 45.692 0.00 0.00 +ATOM 19394 H1 WAT X5769 35.815 56.703 44.852 0.00 0.00 +ATOM 19395 H2 WAT X5769 34.550 56.844 45.670 0.00 0.00 +ATOM 19396 O WAT X5770 67.552 40.330 8.100 0.00 0.00 +ATOM 19397 H1 WAT X5770 67.067 40.993 8.592 0.00 0.00 +ATOM 19398 H2 WAT X5770 66.963 39.576 8.071 0.00 0.00 +ATOM 19399 O WAT X5771 19.264 20.654 22.986 0.00 0.00 +ATOM 19400 H1 WAT X5771 18.922 20.958 22.145 0.00 0.00 +ATOM 19401 H2 WAT X5771 19.356 21.451 23.509 0.00 0.00 +ATOM 19402 O WAT X5772 33.821 36.020 11.126 0.00 0.00 +ATOM 19403 H1 WAT X5772 34.424 35.869 11.854 0.00 0.00 +ATOM 19404 H2 WAT X5772 34.134 35.441 10.431 0.00 0.00 +ATOM 19405 O WAT X5773 74.453 30.486 11.239 0.00 0.00 +ATOM 19406 H1 WAT X5773 74.763 31.062 11.938 0.00 0.00 +ATOM 19407 H2 WAT X5773 74.174 31.081 10.544 0.00 0.00 +ATOM 19408 O WAT X5774 32.550 43.241 32.403 0.00 0.00 +ATOM 19409 H1 WAT X5774 33.220 42.599 32.639 0.00 0.00 +ATOM 19410 H2 WAT X5774 32.113 42.863 31.640 0.00 0.00 +ATOM 19411 O WAT X5775 13.280 35.311 25.573 0.00 0.00 +ATOM 19412 H1 WAT X5775 12.728 35.470 26.339 0.00 0.00 +ATOM 19413 H2 WAT X5775 14.007 35.926 25.670 0.00 0.00 +ATOM 19414 O WAT X5776 32.645 27.676 14.715 0.00 0.00 +ATOM 19415 H1 WAT X5776 33.309 28.334 14.922 0.00 0.00 +ATOM 19416 H2 WAT X5776 32.405 27.303 15.563 0.00 0.00 +ATOM 19417 O WAT X5777 32.614 55.499 39.231 0.00 0.00 +ATOM 19418 H1 WAT X5777 31.744 55.192 39.486 0.00 0.00 +ATOM 19419 H2 WAT X5777 32.458 56.058 38.470 0.00 0.00 +ATOM 19420 O WAT X5778 42.379 52.653 49.116 0.00 0.00 +ATOM 19421 H1 WAT X5778 43.050 52.846 49.771 0.00 0.00 +ATOM 19422 H2 WAT X5778 42.872 52.380 48.342 0.00 0.00 +ATOM 19423 O WAT X5779 48.573 58.722 24.954 0.00 0.00 +ATOM 19424 H1 WAT X5779 49.445 58.905 24.606 0.00 0.00 +ATOM 19425 H2 WAT X5779 48.010 59.383 24.552 0.00 0.00 +ATOM 19426 O WAT X5780 23.642 57.176 50.770 0.00 0.00 +ATOM 19427 H1 WAT X5780 24.098 57.845 51.281 0.00 0.00 +ATOM 19428 H2 WAT X5780 22.868 57.623 50.428 0.00 0.00 +ATOM 19429 O WAT X5781 7.478 51.286 16.885 0.00 0.00 +ATOM 19430 H1 WAT X5781 7.566 52.230 16.750 0.00 0.00 +ATOM 19431 H2 WAT X5781 7.003 50.977 16.114 0.00 0.00 +ATOM 19432 O WAT X5782 50.611 52.594 34.368 0.00 0.00 +ATOM 19433 H1 WAT X5782 49.960 52.086 34.852 0.00 0.00 +ATOM 19434 H2 WAT X5782 50.473 52.350 33.453 0.00 0.00 +ATOM 19435 O WAT X5783 30.738 0.391 58.305 0.00 0.00 +ATOM 19436 H1 WAT X5783 31.188 -0.009 57.562 0.00 0.00 +ATOM 19437 H2 WAT X5783 31.274 1.152 58.528 0.00 0.00 +ATOM 19438 O WAT X5784 67.099 44.960 54.639 0.00 0.00 +ATOM 19439 H1 WAT X5784 68.027 45.193 54.607 0.00 0.00 +ATOM 19440 H2 WAT X5784 66.660 45.763 54.918 0.00 0.00 +ATOM 19441 O WAT X5785 18.767 30.191 2.112 0.00 0.00 +ATOM 19442 H1 WAT X5785 17.915 30.199 2.547 0.00 0.00 +ATOM 19443 H2 WAT X5785 19.222 30.958 2.461 0.00 0.00 +ATOM 19444 O WAT X5786 20.877 47.484 21.315 0.00 0.00 +ATOM 19445 H1 WAT X5786 21.565 48.149 21.338 0.00 0.00 +ATOM 19446 H2 WAT X5786 20.233 47.828 20.695 0.00 0.00 +ATOM 19447 O WAT X5787 47.372 59.382 37.645 0.00 0.00 +ATOM 19448 H1 WAT X5787 46.881 59.872 36.984 0.00 0.00 +ATOM 19449 H2 WAT X5787 46.699 59.006 38.213 0.00 0.00 +ATOM 19450 O WAT X5788 47.402 20.832 52.501 0.00 0.00 +ATOM 19451 H1 WAT X5788 46.961 19.982 52.488 0.00 0.00 +ATOM 19452 H2 WAT X5788 47.009 21.318 51.777 0.00 0.00 +ATOM 19453 O WAT X5789 0.515 4.183 10.081 0.00 0.00 +ATOM 19454 H1 WAT X5789 0.812 4.541 10.918 0.00 0.00 +ATOM 19455 H2 WAT X5789 0.221 3.297 10.291 0.00 0.00 +ATOM 19456 O WAT X5790 77.537 40.395 44.534 0.00 0.00 +ATOM 19457 H1 WAT X5790 77.157 40.954 45.212 0.00 0.00 +ATOM 19458 H2 WAT X5790 76.782 39.998 44.099 0.00 0.00 +ATOM 19459 O WAT X5791 11.286 25.802 21.686 0.00 0.00 +ATOM 19460 H1 WAT X5791 10.412 26.164 21.833 0.00 0.00 +ATOM 19461 H2 WAT X5791 11.623 25.624 22.564 0.00 0.00 +ATOM 19462 O WAT X5792 23.190 33.673 51.113 0.00 0.00 +ATOM 19463 H1 WAT X5792 23.180 33.987 50.208 0.00 0.00 +ATOM 19464 H2 WAT X5792 23.748 32.896 51.090 0.00 0.00 +ATOM 19465 O WAT X5793 29.333 52.505 11.169 0.00 0.00 +ATOM 19466 H1 WAT X5793 30.251 52.776 11.190 0.00 0.00 +ATOM 19467 H2 WAT X5793 29.198 52.051 12.000 0.00 0.00 +ATOM 19468 O WAT X5794 44.468 17.415 56.807 0.00 0.00 +ATOM 19469 H1 WAT X5794 44.594 16.683 56.203 0.00 0.00 +ATOM 19470 H2 WAT X5794 43.926 18.036 56.320 0.00 0.00 +ATOM 19471 O WAT X5795 32.257 37.411 2.706 0.00 0.00 +ATOM 19472 H1 WAT X5795 33.028 37.193 3.229 0.00 0.00 +ATOM 19473 H2 WAT X5795 31.840 36.567 2.530 0.00 0.00 +ATOM 19474 O WAT X5796 71.567 52.701 29.110 0.00 0.00 +ATOM 19475 H1 WAT X5796 71.055 53.112 28.413 0.00 0.00 +ATOM 19476 H2 WAT X5796 71.075 52.888 29.910 0.00 0.00 +ATOM 19477 O WAT X5797 15.780 13.886 40.893 0.00 0.00 +ATOM 19478 H1 WAT X5797 15.144 13.186 41.039 0.00 0.00 +ATOM 19479 H2 WAT X5797 16.590 13.430 40.666 0.00 0.00 +ATOM 19480 O WAT X5798 53.928 10.860 15.053 0.00 0.00 +ATOM 19481 H1 WAT X5798 54.315 10.014 15.278 0.00 0.00 +ATOM 19482 H2 WAT X5798 53.563 11.184 15.876 0.00 0.00 +ATOM 19483 O WAT X5799 63.901 51.192 35.768 0.00 0.00 +ATOM 19484 H1 WAT X5799 64.048 50.271 35.553 0.00 0.00 +ATOM 19485 H2 WAT X5799 63.134 51.439 35.251 0.00 0.00 +ATOM 19486 O WAT X5800 13.556 40.480 55.635 0.00 0.00 +ATOM 19487 H1 WAT X5800 14.246 39.870 55.373 0.00 0.00 +ATOM 19488 H2 WAT X5800 12.828 40.285 55.045 0.00 0.00 +ATOM 19489 O WAT X5801 6.076 60.848 35.800 0.00 0.00 +ATOM 19490 H1 WAT X5801 6.857 60.459 35.406 0.00 0.00 +ATOM 19491 H2 WAT X5801 5.357 60.565 35.235 0.00 0.00 +ATOM 19492 O WAT X5802 40.951 38.132 35.901 0.00 0.00 +ATOM 19493 H1 WAT X5802 41.415 38.015 36.730 0.00 0.00 +ATOM 19494 H2 WAT X5802 41.642 38.139 35.239 0.00 0.00 +ATOM 19495 O WAT X5803 70.994 14.548 57.409 0.00 0.00 +ATOM 19496 H1 WAT X5803 70.743 14.538 58.333 0.00 0.00 +ATOM 19497 H2 WAT X5803 71.428 15.393 57.288 0.00 0.00 +ATOM 19498 O WAT X5804 18.684 51.715 35.702 0.00 0.00 +ATOM 19499 H1 WAT X5804 17.825 51.721 36.124 0.00 0.00 +ATOM 19500 H2 WAT X5804 19.305 51.602 36.422 0.00 0.00 +ATOM 19501 O WAT X5805 76.288 25.999 13.107 0.00 0.00 +ATOM 19502 H1 WAT X5805 75.868 25.420 13.744 0.00 0.00 +ATOM 19503 H2 WAT X5805 76.055 26.881 13.395 0.00 0.00 +ATOM 19504 O WAT X5806 13.395 39.171 15.059 0.00 0.00 +ATOM 19505 H1 WAT X5806 13.259 38.393 15.600 0.00 0.00 +ATOM 19506 H2 WAT X5806 13.498 39.885 15.688 0.00 0.00 +ATOM 19507 O WAT X5807 59.968 18.443 30.904 0.00 0.00 +ATOM 19508 H1 WAT X5807 59.016 18.399 30.820 0.00 0.00 +ATOM 19509 H2 WAT X5807 60.140 19.327 31.228 0.00 0.00 +ATOM 19510 O WAT X5808 53.666 58.695 48.784 0.00 0.00 +ATOM 19511 H1 WAT X5808 54.264 59.411 48.569 0.00 0.00 +ATOM 19512 H2 WAT X5808 53.053 59.076 49.414 0.00 0.00 +ATOM 19513 O WAT X5809 46.076 11.818 41.500 0.00 0.00 +ATOM 19514 H1 WAT X5809 45.613 12.576 41.144 0.00 0.00 +ATOM 19515 H2 WAT X5809 45.748 11.076 40.992 0.00 0.00 +ATOM 19516 O WAT X5810 57.489 60.782 50.759 0.00 0.00 +ATOM 19517 H1 WAT X5810 58.431 60.923 50.859 0.00 0.00 +ATOM 19518 H2 WAT X5810 57.088 61.406 51.364 0.00 0.00 +ATOM 19519 O WAT X5811 28.792 58.788 52.945 0.00 0.00 +ATOM 19520 H1 WAT X5811 28.355 59.506 53.403 0.00 0.00 +ATOM 19521 H2 WAT X5811 29.719 59.026 52.954 0.00 0.00 +ATOM 19522 O WAT X5812 11.244 17.819 42.262 0.00 0.00 +ATOM 19523 H1 WAT X5812 11.058 18.107 43.156 0.00 0.00 +ATOM 19524 H2 WAT X5812 12.147 17.504 42.295 0.00 0.00 +ATOM 19525 O WAT X5813 40.634 32.279 58.169 0.00 0.00 +ATOM 19526 H1 WAT X5813 39.737 32.217 57.839 0.00 0.00 +ATOM 19527 H2 WAT X5813 40.551 32.152 59.114 0.00 0.00 +ATOM 19528 O WAT X5814 28.417 20.619 12.792 0.00 0.00 +ATOM 19529 H1 WAT X5814 28.138 21.157 12.051 0.00 0.00 +ATOM 19530 H2 WAT X5814 27.901 20.943 13.531 0.00 0.00 +ATOM 19531 O WAT X5815 73.340 34.698 13.943 0.00 0.00 +ATOM 19532 H1 WAT X5815 73.097 33.846 14.306 0.00 0.00 +ATOM 19533 H2 WAT X5815 73.670 34.501 13.067 0.00 0.00 +ATOM 19534 O WAT X5816 59.555 44.816 4.048 0.00 0.00 +ATOM 19535 H1 WAT X5816 59.764 45.436 3.349 0.00 0.00 +ATOM 19536 H2 WAT X5816 59.593 45.337 4.850 0.00 0.00 +ATOM 19537 O WAT X5817 59.474 31.775 5.799 0.00 0.00 +ATOM 19538 H1 WAT X5817 60.041 31.887 6.562 0.00 0.00 +ATOM 19539 H2 WAT X5817 60.069 31.522 5.093 0.00 0.00 +ATOM 19540 O WAT X5818 27.477 57.861 58.274 0.00 0.00 +ATOM 19541 H1 WAT X5818 26.964 57.960 59.076 0.00 0.00 +ATOM 19542 H2 WAT X5818 27.146 58.545 57.692 0.00 0.00 +ATOM 19543 O WAT X5819 63.456 43.650 50.647 0.00 0.00 +ATOM 19544 H1 WAT X5819 63.315 44.213 51.409 0.00 0.00 +ATOM 19545 H2 WAT X5819 63.897 42.877 50.998 0.00 0.00 +ATOM 19546 O WAT X5820 15.522 62.637 46.611 0.00 0.00 +ATOM 19547 H1 WAT X5820 14.617 62.547 46.908 0.00 0.00 +ATOM 19548 H2 WAT X5820 16.011 62.870 47.401 0.00 0.00 +ATOM 19549 O WAT X5821 18.692 17.258 49.233 0.00 0.00 +ATOM 19550 H1 WAT X5821 18.171 18.056 49.141 0.00 0.00 +ATOM 19551 H2 WAT X5821 18.659 17.056 50.168 0.00 0.00 +ATOM 19552 O WAT X5822 48.899 57.185 52.470 0.00 0.00 +ATOM 19553 H1 WAT X5822 48.313 56.894 51.771 0.00 0.00 +ATOM 19554 H2 WAT X5822 48.548 58.033 52.739 0.00 0.00 +ATOM 19555 O WAT X5823 8.352 29.139 0.183 0.00 0.00 +ATOM 19556 H1 WAT X5823 7.433 29.380 0.063 0.00 0.00 +ATOM 19557 H2 WAT X5823 8.338 28.475 0.872 0.00 0.00 +ATOM 19558 O WAT X5824 19.863 2.322 42.982 0.00 0.00 +ATOM 19559 H1 WAT X5824 19.439 3.117 42.660 0.00 0.00 +ATOM 19560 H2 WAT X5824 19.253 1.971 43.631 0.00 0.00 +ATOM 19561 O WAT X5825 67.346 22.757 24.159 0.00 0.00 +ATOM 19562 H1 WAT X5825 66.882 22.601 23.336 0.00 0.00 +ATOM 19563 H2 WAT X5825 67.332 23.708 24.265 0.00 0.00 +ATOM 19564 O WAT X5826 6.081 54.395 13.917 0.00 0.00 +ATOM 19565 H1 WAT X5826 5.186 54.687 13.745 0.00 0.00 +ATOM 19566 H2 WAT X5826 6.192 53.623 13.362 0.00 0.00 +ATOM 19567 O WAT X5827 19.323 28.167 18.250 0.00 0.00 +ATOM 19568 H1 WAT X5827 20.190 28.574 18.269 0.00 0.00 +ATOM 19569 H2 WAT X5827 19.447 27.361 17.750 0.00 0.00 +ATOM 19570 O WAT X5828 43.124 52.897 52.756 0.00 0.00 +ATOM 19571 H1 WAT X5828 42.904 52.330 53.496 0.00 0.00 +ATOM 19572 H2 WAT X5828 42.348 53.443 52.633 0.00 0.00 +ATOM 19573 O WAT X5829 74.748 2.133 56.270 0.00 0.00 +ATOM 19574 H1 WAT X5829 75.056 1.241 56.433 0.00 0.00 +ATOM 19575 H2 WAT X5829 73.886 2.168 56.684 0.00 0.00 +ATOM 19576 O WAT X5830 56.807 17.553 30.386 0.00 0.00 +ATOM 19577 H1 WAT X5830 56.266 16.838 30.722 0.00 0.00 +ATOM 19578 H2 WAT X5830 57.280 17.875 31.152 0.00 0.00 +ATOM 19579 O WAT X5831 23.410 10.724 43.604 0.00 0.00 +ATOM 19580 H1 WAT X5831 23.204 10.472 42.704 0.00 0.00 +ATOM 19581 H2 WAT X5831 23.239 9.936 44.120 0.00 0.00 +ATOM 19582 O WAT X5832 2.903 19.921 15.961 0.00 0.00 +ATOM 19583 H1 WAT X5832 3.464 19.772 15.199 0.00 0.00 +ATOM 19584 H2 WAT X5832 2.499 19.070 16.130 0.00 0.00 +ATOM 19585 O WAT X5833 7.817 45.194 57.884 0.00 0.00 +ATOM 19586 H1 WAT X5833 7.491 45.400 58.760 0.00 0.00 +ATOM 19587 H2 WAT X5833 7.036 44.940 57.392 0.00 0.00 +ATOM 19588 O WAT X5834 40.913 2.186 8.320 0.00 0.00 +ATOM 19589 H1 WAT X5834 40.972 2.306 9.268 0.00 0.00 +ATOM 19590 H2 WAT X5834 41.808 2.314 8.006 0.00 0.00 +ATOM 19591 O WAT X5835 59.456 47.900 6.474 0.00 0.00 +ATOM 19592 H1 WAT X5835 59.620 48.531 7.175 0.00 0.00 +ATOM 19593 H2 WAT X5835 58.717 48.266 5.989 0.00 0.00 +ATOM 19594 O WAT X5836 46.106 16.068 21.379 0.00 0.00 +ATOM 19595 H1 WAT X5836 46.051 15.286 20.831 0.00 0.00 +ATOM 19596 H2 WAT X5836 45.215 16.197 21.704 0.00 0.00 +ATOM 19597 O WAT X5837 49.680 57.323 31.854 0.00 0.00 +ATOM 19598 H1 WAT X5837 49.233 56.563 32.227 0.00 0.00 +ATOM 19599 H2 WAT X5837 50.027 57.010 31.018 0.00 0.00 +ATOM 19600 O WAT X5838 22.567 46.683 54.450 0.00 0.00 +ATOM 19601 H1 WAT X5838 23.393 46.202 54.511 0.00 0.00 +ATOM 19602 H2 WAT X5838 22.101 46.463 55.257 0.00 0.00 +ATOM 19603 O WAT X5839 20.132 36.911 45.968 0.00 0.00 +ATOM 19604 H1 WAT X5839 19.534 37.419 46.517 0.00 0.00 +ATOM 19605 H2 WAT X5839 19.592 36.204 45.616 0.00 0.00 +ATOM 19606 O WAT X5840 55.532 45.706 17.882 0.00 0.00 +ATOM 19607 H1 WAT X5840 55.338 44.999 18.497 0.00 0.00 +ATOM 19608 H2 WAT X5840 55.275 46.504 18.344 0.00 0.00 +ATOM 19609 O WAT X5841 36.646 58.661 32.894 0.00 0.00 +ATOM 19610 H1 WAT X5841 36.038 59.130 33.466 0.00 0.00 +ATOM 19611 H2 WAT X5841 36.678 59.188 32.095 0.00 0.00 +ATOM 19612 O WAT X5842 53.269 24.111 54.509 0.00 0.00 +ATOM 19613 H1 WAT X5842 52.489 24.584 54.219 0.00 0.00 +ATOM 19614 H2 WAT X5842 53.923 24.292 53.835 0.00 0.00 +ATOM 19615 O WAT X5843 3.269 24.354 47.259 0.00 0.00 +ATOM 19616 H1 WAT X5843 2.801 25.087 47.658 0.00 0.00 +ATOM 19617 H2 WAT X5843 2.872 24.258 46.394 0.00 0.00 +ATOM 19618 O WAT X5844 12.725 43.539 3.998 0.00 0.00 +ATOM 19619 H1 WAT X5844 13.246 42.781 3.733 0.00 0.00 +ATOM 19620 H2 WAT X5844 11.823 43.294 3.794 0.00 0.00 +ATOM 19621 O WAT X5845 16.028 26.828 15.622 0.00 0.00 +ATOM 19622 H1 WAT X5845 15.454 26.882 16.386 0.00 0.00 +ATOM 19623 H2 WAT X5845 16.199 25.892 15.517 0.00 0.00 +ATOM 19624 O WAT X5846 51.219 6.920 5.363 0.00 0.00 +ATOM 19625 H1 WAT X5846 50.792 6.697 4.536 0.00 0.00 +ATOM 19626 H2 WAT X5846 52.020 6.395 5.369 0.00 0.00 +ATOM 19627 O WAT X5847 45.949 50.111 1.979 0.00 0.00 +ATOM 19628 H1 WAT X5847 45.036 50.127 1.692 0.00 0.00 +ATOM 19629 H2 WAT X5847 45.917 50.384 2.896 0.00 0.00 +ATOM 19630 O WAT X5848 12.806 19.800 44.537 0.00 0.00 +ATOM 19631 H1 WAT X5848 12.080 19.241 44.817 0.00 0.00 +ATOM 19632 H2 WAT X5848 13.418 19.200 44.111 0.00 0.00 +ATOM 19633 O WAT X5849 24.259 53.730 54.258 0.00 0.00 +ATOM 19634 H1 WAT X5849 24.140 52.880 54.682 0.00 0.00 +ATOM 19635 H2 WAT X5849 25.119 53.671 53.843 0.00 0.00 +ATOM 19636 O WAT X5850 -0.032 14.142 46.688 0.00 0.00 +ATOM 19637 H1 WAT X5850 0.254 13.642 45.924 0.00 0.00 +ATOM 19638 H2 WAT X5850 0.643 13.980 47.347 0.00 0.00 +ATOM 19639 O WAT X5851 64.099 61.044 18.302 0.00 0.00 +ATOM 19640 H1 WAT X5851 64.404 61.575 19.037 0.00 0.00 +ATOM 19641 H2 WAT X5851 63.442 61.588 17.869 0.00 0.00 +ATOM 19642 O WAT X5852 35.502 62.191 50.755 0.00 0.00 +ATOM 19643 H1 WAT X5852 34.802 61.986 50.136 0.00 0.00 +ATOM 19644 H2 WAT X5852 35.307 63.079 51.053 0.00 0.00 +ATOM 19645 O WAT X5853 37.143 57.368 12.055 0.00 0.00 +ATOM 19646 H1 WAT X5853 37.362 56.461 11.843 0.00 0.00 +ATOM 19647 H2 WAT X5853 37.201 57.831 11.220 0.00 0.00 +ATOM 19648 O WAT X5854 64.539 46.424 51.719 0.00 0.00 +ATOM 19649 H1 WAT X5854 65.264 45.804 51.799 0.00 0.00 +ATOM 19650 H2 WAT X5854 63.883 46.106 52.339 0.00 0.00 +ATOM 19651 O WAT X5855 8.671 21.184 57.931 0.00 0.00 +ATOM 19652 H1 WAT X5855 8.575 21.189 58.884 0.00 0.00 +ATOM 19653 H2 WAT X5855 9.032 20.320 57.732 0.00 0.00 +ATOM 19654 O WAT X5856 2.205 22.249 31.732 0.00 0.00 +ATOM 19655 H1 WAT X5856 2.685 21.767 32.405 0.00 0.00 +ATOM 19656 H2 WAT X5856 1.541 22.740 32.216 0.00 0.00 +ATOM 19657 O WAT X5857 51.868 34.904 6.818 0.00 0.00 +ATOM 19658 H1 WAT X5857 51.989 34.316 6.073 0.00 0.00 +ATOM 19659 H2 WAT X5857 52.268 35.728 6.540 0.00 0.00 +ATOM 19660 O WAT X5858 25.126 13.697 34.752 0.00 0.00 +ATOM 19661 H1 WAT X5858 25.620 14.457 34.447 0.00 0.00 +ATOM 19662 H2 WAT X5858 25.597 13.402 35.531 0.00 0.00 +ATOM 19663 O WAT X5859 75.930 11.202 2.012 0.00 0.00 +ATOM 19664 H1 WAT X5859 75.506 10.791 2.765 0.00 0.00 +ATOM 19665 H2 WAT X5859 75.755 10.606 1.284 0.00 0.00 +ATOM 19666 O WAT X5860 23.164 61.661 38.685 0.00 0.00 +ATOM 19667 H1 WAT X5860 23.434 62.459 38.230 0.00 0.00 +ATOM 19668 H2 WAT X5860 23.956 61.360 39.130 0.00 0.00 +ATOM 19669 O WAT X5861 33.488 3.857 32.992 0.00 0.00 +ATOM 19670 H1 WAT X5861 33.247 4.151 33.870 0.00 0.00 +ATOM 19671 H2 WAT X5861 32.935 4.373 32.406 0.00 0.00 +ATOM 19672 O WAT X5862 6.363 49.231 5.362 0.00 0.00 +ATOM 19673 H1 WAT X5862 5.825 48.651 4.823 0.00 0.00 +ATOM 19674 H2 WAT X5862 5.789 49.493 6.081 0.00 0.00 +ATOM 19675 O WAT X5863 72.317 26.563 44.337 0.00 0.00 +ATOM 19676 H1 WAT X5863 73.027 27.176 44.527 0.00 0.00 +ATOM 19677 H2 WAT X5863 71.650 26.758 44.995 0.00 0.00 +ATOM 19678 O WAT X5864 33.232 23.347 41.955 0.00 0.00 +ATOM 19679 H1 WAT X5864 33.942 23.809 42.400 0.00 0.00 +ATOM 19680 H2 WAT X5864 32.991 22.641 42.555 0.00 0.00 +ATOM 19681 O WAT X5865 20.216 35.665 14.633 0.00 0.00 +ATOM 19682 H1 WAT X5865 21.100 35.962 14.416 0.00 0.00 +ATOM 19683 H2 WAT X5865 19.755 35.654 13.794 0.00 0.00 +ATOM 19684 O WAT X5866 21.702 51.896 50.162 0.00 0.00 +ATOM 19685 H1 WAT X5866 22.351 52.582 50.320 0.00 0.00 +ATOM 19686 H2 WAT X5866 22.221 51.111 49.988 0.00 0.00 +ATOM 19687 O WAT X5867 49.645 55.161 12.830 0.00 0.00 +ATOM 19688 H1 WAT X5867 50.131 55.225 13.652 0.00 0.00 +ATOM 19689 H2 WAT X5867 48.941 55.803 12.917 0.00 0.00 +ATOM 19690 O WAT X5868 71.829 25.184 39.446 0.00 0.00 +ATOM 19691 H1 WAT X5868 70.944 25.490 39.645 0.00 0.00 +ATOM 19692 H2 WAT X5868 72.249 25.092 40.301 0.00 0.00 +ATOM 19693 O WAT X5869 16.879 51.454 31.472 0.00 0.00 +ATOM 19694 H1 WAT X5869 17.580 51.134 32.040 0.00 0.00 +ATOM 19695 H2 WAT X5869 16.410 52.094 32.008 0.00 0.00 +ATOM 19696 O WAT X5870 4.340 49.414 24.840 0.00 0.00 +ATOM 19697 H1 WAT X5870 3.403 49.605 24.812 0.00 0.00 +ATOM 19698 H2 WAT X5870 4.417 48.534 24.472 0.00 0.00 +ATOM 19699 O WAT X5871 10.081 54.060 20.399 0.00 0.00 +ATOM 19700 H1 WAT X5871 10.192 53.526 19.612 0.00 0.00 +ATOM 19701 H2 WAT X5871 10.433 54.917 20.158 0.00 0.00 +ATOM 19702 O WAT X5872 31.334 34.558 9.778 0.00 0.00 +ATOM 19703 H1 WAT X5872 30.908 35.401 9.933 0.00 0.00 +ATOM 19704 H2 WAT X5872 32.262 34.773 9.685 0.00 0.00 +ATOM 19705 O WAT X5873 60.884 25.445 49.372 0.00 0.00 +ATOM 19706 H1 WAT X5873 60.373 24.889 49.961 0.00 0.00 +ATOM 19707 H2 WAT X5873 60.836 26.317 49.765 0.00 0.00 +ATOM 19708 O WAT X5874 16.852 21.040 33.132 0.00 0.00 +ATOM 19709 H1 WAT X5874 16.613 20.559 33.924 0.00 0.00 +ATOM 19710 H2 WAT X5874 17.264 21.842 33.454 0.00 0.00 +ATOM 19711 O WAT X5875 3.000 18.411 31.246 0.00 0.00 +ATOM 19712 H1 WAT X5875 2.059 18.358 31.413 0.00 0.00 +ATOM 19713 H2 WAT X5875 3.338 17.554 31.506 0.00 0.00 +ATOM 19714 O WAT X5876 7.472 9.043 36.168 0.00 0.00 +ATOM 19715 H1 WAT X5876 7.927 9.807 35.813 0.00 0.00 +ATOM 19716 H2 WAT X5876 8.173 8.454 36.446 0.00 0.00 +ATOM 19717 O WAT X5877 62.514 1.841 20.107 0.00 0.00 +ATOM 19718 H1 WAT X5877 63.038 1.329 19.491 0.00 0.00 +ATOM 19719 H2 WAT X5877 61.616 1.755 19.787 0.00 0.00 +ATOM 19720 O WAT X5878 34.343 34.081 9.207 0.00 0.00 +ATOM 19721 H1 WAT X5878 34.548 33.760 8.329 0.00 0.00 +ATOM 19722 H2 WAT X5878 34.627 33.378 9.791 0.00 0.00 +ATOM 19723 O WAT X5879 7.091 13.720 53.467 0.00 0.00 +ATOM 19724 H1 WAT X5879 7.233 12.775 53.420 0.00 0.00 +ATOM 19725 H2 WAT X5879 6.249 13.814 53.912 0.00 0.00 +ATOM 19726 O WAT X5880 10.523 21.407 49.729 0.00 0.00 +ATOM 19727 H1 WAT X5880 11.135 20.676 49.644 0.00 0.00 +ATOM 19728 H2 WAT X5880 10.232 21.370 50.640 0.00 0.00 +ATOM 19729 O WAT X5881 39.928 2.546 24.806 0.00 0.00 +ATOM 19730 H1 WAT X5881 40.293 3.112 24.126 0.00 0.00 +ATOM 19731 H2 WAT X5881 40.586 1.862 24.927 0.00 0.00 +ATOM 19732 O WAT X5882 10.962 40.920 7.233 0.00 0.00 +ATOM 19733 H1 WAT X5882 10.803 41.850 7.069 0.00 0.00 +ATOM 19734 H2 WAT X5882 11.911 40.822 7.152 0.00 0.00 +ATOM 19735 O WAT X5883 42.538 3.956 1.435 0.00 0.00 +ATOM 19736 H1 WAT X5883 43.334 4.216 1.899 0.00 0.00 +ATOM 19737 H2 WAT X5883 42.604 4.390 0.584 0.00 0.00 +ATOM 19738 O WAT X5884 73.970 30.267 15.901 0.00 0.00 +ATOM 19739 H1 WAT X5884 73.122 30.625 15.640 0.00 0.00 +ATOM 19740 H2 WAT X5884 74.347 30.937 16.472 0.00 0.00 +ATOM 19741 O WAT X5885 15.813 55.861 23.934 0.00 0.00 +ATOM 19742 H1 WAT X5885 15.712 54.936 23.708 0.00 0.00 +ATOM 19743 H2 WAT X5885 15.279 56.325 23.289 0.00 0.00 +ATOM 19744 O WAT X5886 69.879 8.255 4.744 0.00 0.00 +ATOM 19745 H1 WAT X5886 69.881 8.289 5.701 0.00 0.00 +ATOM 19746 H2 WAT X5886 69.590 7.367 4.537 0.00 0.00 +ATOM 19747 O WAT X5887 5.579 4.682 33.230 0.00 0.00 +ATOM 19748 H1 WAT X5887 6.100 3.880 33.262 0.00 0.00 +ATOM 19749 H2 WAT X5887 5.349 4.854 34.144 0.00 0.00 +ATOM 19750 O WAT X5888 40.672 43.348 5.900 0.00 0.00 +ATOM 19751 H1 WAT X5888 41.316 43.512 6.589 0.00 0.00 +ATOM 19752 H2 WAT X5888 40.787 42.423 5.680 0.00 0.00 +ATOM 19753 O WAT X5889 65.809 62.652 27.605 0.00 0.00 +ATOM 19754 H1 WAT X5889 65.754 63.436 28.152 0.00 0.00 +ATOM 19755 H2 WAT X5889 66.316 62.928 26.842 0.00 0.00 +ATOM 19756 O WAT X5890 64.925 59.709 36.047 0.00 0.00 +ATOM 19757 H1 WAT X5890 64.380 59.881 36.815 0.00 0.00 +ATOM 19758 H2 WAT X5890 64.501 60.195 35.339 0.00 0.00 +ATOM 19759 O WAT X5891 64.194 54.563 13.410 0.00 0.00 +ATOM 19760 H1 WAT X5891 64.984 54.352 13.907 0.00 0.00 +ATOM 19761 H2 WAT X5891 64.519 54.936 12.591 0.00 0.00 +ATOM 19762 O WAT X5892 19.584 18.459 43.525 0.00 0.00 +ATOM 19763 H1 WAT X5892 18.701 18.825 43.480 0.00 0.00 +ATOM 19764 H2 WAT X5892 20.081 19.094 44.041 0.00 0.00 +ATOM 19765 O WAT X5893 45.961 41.241 8.509 0.00 0.00 +ATOM 19766 H1 WAT X5893 46.794 40.957 8.884 0.00 0.00 +ATOM 19767 H2 WAT X5893 46.062 41.101 7.567 0.00 0.00 +ATOM 19768 O WAT X5894 15.219 43.256 38.396 0.00 0.00 +ATOM 19769 H1 WAT X5894 15.034 43.394 37.467 0.00 0.00 +ATOM 19770 H2 WAT X5894 14.885 44.043 38.827 0.00 0.00 +ATOM 19771 O WAT X5895 43.612 52.904 31.511 0.00 0.00 +ATOM 19772 H1 WAT X5895 43.265 52.082 31.165 0.00 0.00 +ATOM 19773 H2 WAT X5895 43.418 53.551 30.832 0.00 0.00 +ATOM 19774 O WAT X5896 47.215 58.153 30.895 0.00 0.00 +ATOM 19775 H1 WAT X5896 47.044 58.832 30.242 0.00 0.00 +ATOM 19776 H2 WAT X5896 48.166 58.158 31.002 0.00 0.00 +ATOM 19777 O WAT X5897 15.890 15.940 31.052 0.00 0.00 +ATOM 19778 H1 WAT X5897 15.890 16.194 31.974 0.00 0.00 +ATOM 19779 H2 WAT X5897 16.757 15.560 30.908 0.00 0.00 +ATOM 19780 O WAT X5898 55.023 2.842 38.959 0.00 0.00 +ATOM 19781 H1 WAT X5898 54.875 1.920 39.169 0.00 0.00 +ATOM 19782 H2 WAT X5898 55.963 2.970 39.090 0.00 0.00 +ATOM 19783 O WAT X5899 64.799 36.959 53.429 0.00 0.00 +ATOM 19784 H1 WAT X5899 65.258 36.339 52.861 0.00 0.00 +ATOM 19785 H2 WAT X5899 63.885 36.910 53.146 0.00 0.00 +ATOM 19786 O WAT X5900 29.669 18.496 28.438 0.00 0.00 +ATOM 19787 H1 WAT X5900 29.509 17.556 28.518 0.00 0.00 +ATOM 19788 H2 WAT X5900 30.555 18.618 28.778 0.00 0.00 +ATOM 19789 O WAT X5901 2.033 56.732 6.643 0.00 0.00 +ATOM 19790 H1 WAT X5901 2.756 56.839 6.025 0.00 0.00 +ATOM 19791 H2 WAT X5901 2.007 57.558 7.127 0.00 0.00 +ATOM 19792 O WAT X5902 1.994 4.570 47.091 0.00 0.00 +ATOM 19793 H1 WAT X5902 1.909 4.234 46.199 0.00 0.00 +ATOM 19794 H2 WAT X5902 1.209 4.259 47.541 0.00 0.00 +ATOM 19795 O WAT X5903 22.586 56.899 38.431 0.00 0.00 +ATOM 19796 H1 WAT X5903 21.840 56.326 38.609 0.00 0.00 +ATOM 19797 H2 WAT X5903 22.205 57.774 38.361 0.00 0.00 +ATOM 19798 O WAT X5904 67.846 19.828 13.783 0.00 0.00 +ATOM 19799 H1 WAT X5904 68.039 20.418 14.512 0.00 0.00 +ATOM 19800 H2 WAT X5904 68.221 20.263 13.017 0.00 0.00 +ATOM 19801 O WAT X5905 7.832 61.160 7.070 0.00 0.00 +ATOM 19802 H1 WAT X5905 8.357 60.689 7.717 0.00 0.00 +ATOM 19803 H2 WAT X5905 8.413 61.255 6.315 0.00 0.00 +ATOM 19804 O WAT X5906 47.053 17.693 51.828 0.00 0.00 +ATOM 19805 H1 WAT X5906 46.307 18.164 51.456 0.00 0.00 +ATOM 19806 H2 WAT X5906 46.661 17.059 52.428 0.00 0.00 +ATOM 19807 O WAT X5907 37.513 23.163 7.979 0.00 0.00 +ATOM 19808 H1 WAT X5907 37.911 23.221 8.848 0.00 0.00 +ATOM 19809 H2 WAT X5907 37.845 23.930 7.512 0.00 0.00 +ATOM 19810 O WAT X5908 0.777 53.931 30.853 0.00 0.00 +ATOM 19811 H1 WAT X5908 0.655 52.991 30.718 0.00 0.00 +ATOM 19812 H2 WAT X5908 -0.089 54.250 31.108 0.00 0.00 +ATOM 19813 O WAT X5909 26.396 43.311 36.164 0.00 0.00 +ATOM 19814 H1 WAT X5909 26.429 43.738 37.020 0.00 0.00 +ATOM 19815 H2 WAT X5909 25.935 43.935 35.603 0.00 0.00 +ATOM 19816 O WAT X5910 29.953 16.974 13.352 0.00 0.00 +ATOM 19817 H1 WAT X5910 30.355 17.343 12.566 0.00 0.00 +ATOM 19818 H2 WAT X5910 30.681 16.862 13.964 0.00 0.00 +ATOM 19819 O WAT X5911 36.101 13.906 39.561 0.00 0.00 +ATOM 19820 H1 WAT X5911 36.156 14.341 40.412 0.00 0.00 +ATOM 19821 H2 WAT X5911 35.369 13.295 39.651 0.00 0.00 +ATOM 19822 O WAT X5912 77.030 55.270 36.413 0.00 0.00 +ATOM 19823 H1 WAT X5912 76.797 54.374 36.659 0.00 0.00 +ATOM 19824 H2 WAT X5912 76.417 55.492 35.712 0.00 0.00 +ATOM 19825 O WAT X5913 35.125 38.820 56.861 0.00 0.00 +ATOM 19826 H1 WAT X5913 35.238 38.899 57.808 0.00 0.00 +ATOM 19827 H2 WAT X5913 35.976 39.064 56.497 0.00 0.00 +ATOM 19828 O WAT X5914 42.864 30.747 46.042 0.00 0.00 +ATOM 19829 H1 WAT X5914 42.735 31.250 45.238 0.00 0.00 +ATOM 19830 H2 WAT X5914 42.121 30.988 46.596 0.00 0.00 +ATOM 19831 O WAT X5915 48.525 51.904 10.433 0.00 0.00 +ATOM 19832 H1 WAT X5915 49.108 51.291 9.985 0.00 0.00 +ATOM 19833 H2 WAT X5915 48.979 52.112 11.250 0.00 0.00 +ATOM 19834 O WAT X5916 75.433 6.740 50.692 0.00 0.00 +ATOM 19835 H1 WAT X5916 74.972 6.954 49.881 0.00 0.00 +ATOM 19836 H2 WAT X5916 74.746 6.714 51.358 0.00 0.00 +ATOM 19837 O WAT X5917 17.643 25.670 45.729 0.00 0.00 +ATOM 19838 H1 WAT X5917 16.791 25.544 46.148 0.00 0.00 +ATOM 19839 H2 WAT X5917 17.642 25.056 44.995 0.00 0.00 +ATOM 19840 O WAT X5918 39.768 57.993 35.199 0.00 0.00 +ATOM 19841 H1 WAT X5918 38.986 58.537 35.291 0.00 0.00 +ATOM 19842 H2 WAT X5918 40.332 58.484 34.602 0.00 0.00 +ATOM 19843 O WAT X5919 29.087 34.546 43.837 0.00 0.00 +ATOM 19844 H1 WAT X5919 28.398 33.882 43.837 0.00 0.00 +ATOM 19845 H2 WAT X5919 29.579 34.381 43.033 0.00 0.00 +ATOM 19846 O WAT X5920 54.060 54.688 45.716 0.00 0.00 +ATOM 19847 H1 WAT X5920 53.736 55.430 45.204 0.00 0.00 +ATOM 19848 H2 WAT X5920 53.419 54.586 46.420 0.00 0.00 +ATOM 19849 O WAT X5921 1.777 24.075 45.153 0.00 0.00 +ATOM 19850 H1 WAT X5921 1.824 23.234 44.699 0.00 0.00 +ATOM 19851 H2 WAT X5921 1.619 24.714 44.458 0.00 0.00 +ATOM 19852 O WAT X5922 64.103 54.092 46.898 0.00 0.00 +ATOM 19853 H1 WAT X5922 64.534 54.787 47.395 0.00 0.00 +ATOM 19854 H2 WAT X5922 63.213 54.062 47.249 0.00 0.00 +ATOM 19855 O WAT X5923 10.424 36.254 38.033 0.00 0.00 +ATOM 19856 H1 WAT X5923 10.737 35.701 38.748 0.00 0.00 +ATOM 19857 H2 WAT X5923 10.937 37.058 38.109 0.00 0.00 +ATOM 19858 O WAT X5924 28.631 23.317 50.284 0.00 0.00 +ATOM 19859 H1 WAT X5924 28.767 23.195 49.345 0.00 0.00 +ATOM 19860 H2 WAT X5924 29.059 22.562 50.688 0.00 0.00 +ATOM 19861 O WAT X5925 15.659 46.972 49.426 0.00 0.00 +ATOM 19862 H1 WAT X5925 15.853 47.384 50.268 0.00 0.00 +ATOM 19863 H2 WAT X5925 15.047 46.268 49.639 0.00 0.00 +ATOM 19864 O WAT X5926 21.377 10.063 17.055 0.00 0.00 +ATOM 19865 H1 WAT X5926 20.858 10.810 16.758 0.00 0.00 +ATOM 19866 H2 WAT X5926 20.746 9.346 17.123 0.00 0.00 +ATOM 19867 O WAT X5927 32.271 52.865 22.338 0.00 0.00 +ATOM 19868 H1 WAT X5927 32.303 51.908 22.347 0.00 0.00 +ATOM 19869 H2 WAT X5927 31.439 53.081 22.759 0.00 0.00 +ATOM 19870 O WAT X5928 36.638 5.173 33.531 0.00 0.00 +ATOM 19871 H1 WAT X5928 36.362 5.873 32.939 0.00 0.00 +ATOM 19872 H2 WAT X5928 36.031 5.230 34.269 0.00 0.00 +ATOM 19873 O WAT X5929 10.697 30.485 58.450 0.00 0.00 +ATOM 19874 H1 WAT X5929 9.807 30.137 58.501 0.00 0.00 +ATOM 19875 H2 WAT X5929 10.888 30.520 57.513 0.00 0.00 +ATOM 19876 O WAT X5930 22.198 41.705 57.896 0.00 0.00 +ATOM 19877 H1 WAT X5930 21.964 42.552 58.275 0.00 0.00 +ATOM 19878 H2 WAT X5930 22.728 41.278 58.569 0.00 0.00 +ATOM 19879 O WAT X5931 46.222 56.746 37.137 0.00 0.00 +ATOM 19880 H1 WAT X5931 45.471 56.882 36.560 0.00 0.00 +ATOM 19881 H2 WAT X5931 45.838 56.505 37.979 0.00 0.00 +ATOM 19882 O WAT X5932 31.374 11.761 13.322 0.00 0.00 +ATOM 19883 H1 WAT X5932 31.936 11.876 12.555 0.00 0.00 +ATOM 19884 H2 WAT X5932 30.521 12.095 13.046 0.00 0.00 +ATOM 19885 O WAT X5933 52.869 44.916 13.375 0.00 0.00 +ATOM 19886 H1 WAT X5933 52.955 44.116 13.893 0.00 0.00 +ATOM 19887 H2 WAT X5933 52.290 44.674 12.653 0.00 0.00 +ATOM 19888 O WAT X5934 72.352 37.087 39.256 0.00 0.00 +ATOM 19889 H1 WAT X5934 72.924 37.837 39.095 0.00 0.00 +ATOM 19890 H2 WAT X5934 72.584 36.793 40.138 0.00 0.00 +ATOM 19891 O WAT X5935 54.249 15.903 31.340 0.00 0.00 +ATOM 19892 H1 WAT X5935 54.251 15.250 32.040 0.00 0.00 +ATOM 19893 H2 WAT X5935 54.525 15.419 30.561 0.00 0.00 +ATOM 19894 O WAT X5936 57.889 37.295 13.748 0.00 0.00 +ATOM 19895 H1 WAT X5936 57.169 36.692 13.565 0.00 0.00 +ATOM 19896 H2 WAT X5936 57.654 38.098 13.284 0.00 0.00 +ATOM 19897 O WAT X5937 55.736 22.448 50.088 0.00 0.00 +ATOM 19898 H1 WAT X5937 55.617 21.517 49.902 0.00 0.00 +ATOM 19899 H2 WAT X5937 54.900 22.727 50.461 0.00 0.00 +ATOM 19900 O WAT X5938 11.355 32.310 24.878 0.00 0.00 +ATOM 19901 H1 WAT X5938 10.953 32.504 25.725 0.00 0.00 +ATOM 19902 H2 WAT X5938 12.290 32.461 25.016 0.00 0.00 +ATOM 19903 O WAT X5939 70.309 23.714 2.232 0.00 0.00 +ATOM 19904 H1 WAT X5939 71.099 23.884 2.745 0.00 0.00 +ATOM 19905 H2 WAT X5939 69.917 24.577 2.102 0.00 0.00 +ATOM 19906 O WAT X5940 19.450 47.905 7.954 0.00 0.00 +ATOM 19907 H1 WAT X5940 19.233 47.376 7.186 0.00 0.00 +ATOM 19908 H2 WAT X5940 19.100 47.408 8.694 0.00 0.00 +ATOM 19909 O WAT X5941 32.949 1.176 43.237 0.00 0.00 +ATOM 19910 H1 WAT X5941 32.784 0.816 44.108 0.00 0.00 +ATOM 19911 H2 WAT X5941 32.638 2.080 43.288 0.00 0.00 +ATOM 19912 O WAT X5942 10.614 37.684 35.606 0.00 0.00 +ATOM 19913 H1 WAT X5942 10.026 37.011 35.949 0.00 0.00 +ATOM 19914 H2 WAT X5942 10.680 38.327 36.311 0.00 0.00 +ATOM 19915 O WAT X5943 71.050 35.239 7.824 0.00 0.00 +ATOM 19916 H1 WAT X5943 70.179 35.608 7.975 0.00 0.00 +ATOM 19917 H2 WAT X5943 71.583 35.584 8.540 0.00 0.00 +ATOM 19918 O WAT X5944 4.141 47.766 2.922 0.00 0.00 +ATOM 19919 H1 WAT X5944 4.898 47.415 2.454 0.00 0.00 +ATOM 19920 H2 WAT X5944 3.541 47.024 3.000 0.00 0.00 +ATOM 19921 O WAT X5945 9.002 16.614 12.006 0.00 0.00 +ATOM 19922 H1 WAT X5945 8.940 15.956 11.313 0.00 0.00 +ATOM 19923 H2 WAT X5945 9.429 17.362 11.589 0.00 0.00 +ATOM 19924 O WAT X5946 49.360 4.555 18.695 0.00 0.00 +ATOM 19925 H1 WAT X5946 49.114 4.093 17.894 0.00 0.00 +ATOM 19926 H2 WAT X5946 49.954 5.245 18.401 0.00 0.00 +ATOM 19927 O WAT X5947 17.742 19.794 51.941 0.00 0.00 +ATOM 19928 H1 WAT X5947 18.474 20.125 52.462 0.00 0.00 +ATOM 19929 H2 WAT X5947 17.541 20.504 51.331 0.00 0.00 +ATOM 19930 O WAT X5948 76.192 12.845 40.254 0.00 0.00 +ATOM 19931 H1 WAT X5948 75.603 13.535 39.948 0.00 0.00 +ATOM 19932 H2 WAT X5948 76.337 12.295 39.484 0.00 0.00 +ATOM 19933 O WAT X5949 59.562 12.307 20.366 0.00 0.00 +ATOM 19934 H1 WAT X5949 59.111 11.769 19.715 0.00 0.00 +ATOM 19935 H2 WAT X5949 58.962 12.332 21.112 0.00 0.00 +ATOM 19936 O WAT X5950 35.009 46.040 9.179 0.00 0.00 +ATOM 19937 H1 WAT X5950 34.119 45.697 9.098 0.00 0.00 +ATOM 19938 H2 WAT X5950 35.460 45.406 9.737 0.00 0.00 +ATOM 19939 O WAT X5951 19.385 28.767 6.371 0.00 0.00 +ATOM 19940 H1 WAT X5951 20.043 28.336 5.826 0.00 0.00 +ATOM 19941 H2 WAT X5951 18.547 28.464 6.022 0.00 0.00 +ATOM 19942 O WAT X5952 44.461 57.078 51.164 0.00 0.00 +ATOM 19943 H1 WAT X5952 44.638 57.848 50.625 0.00 0.00 +ATOM 19944 H2 WAT X5952 45.057 56.408 50.828 0.00 0.00 +ATOM 19945 O WAT X5953 38.922 28.586 51.463 0.00 0.00 +ATOM 19946 H1 WAT X5953 38.998 29.297 50.826 0.00 0.00 +ATOM 19947 H2 WAT X5953 39.817 28.265 51.572 0.00 0.00 +ATOM 19948 O WAT X5954 29.195 42.012 55.119 0.00 0.00 +ATOM 19949 H1 WAT X5954 29.764 42.534 54.553 0.00 0.00 +ATOM 19950 H2 WAT X5954 28.585 41.585 54.518 0.00 0.00 +ATOM 19951 O WAT X5955 54.172 27.549 11.820 0.00 0.00 +ATOM 19952 H1 WAT X5955 54.248 27.697 12.763 0.00 0.00 +ATOM 19953 H2 WAT X5955 54.027 28.421 11.452 0.00 0.00 +ATOM 19954 O WAT X5956 21.023 41.329 40.411 0.00 0.00 +ATOM 19955 H1 WAT X5956 21.073 41.853 41.211 0.00 0.00 +ATOM 19956 H2 WAT X5956 21.496 40.524 40.622 0.00 0.00 +ATOM 19957 O WAT X5957 30.557 10.178 41.181 0.00 0.00 +ATOM 19958 H1 WAT X5957 31.182 10.770 41.601 0.00 0.00 +ATOM 19959 H2 WAT X5957 29.894 10.758 40.805 0.00 0.00 +ATOM 19960 O WAT X5958 63.159 49.287 12.580 0.00 0.00 +ATOM 19961 H1 WAT X5958 63.499 48.828 11.812 0.00 0.00 +ATOM 19962 H2 WAT X5958 63.038 50.190 12.285 0.00 0.00 +ATOM 19963 O WAT X5959 18.525 40.379 39.052 0.00 0.00 +ATOM 19964 H1 WAT X5959 19.295 40.836 39.392 0.00 0.00 +ATOM 19965 H2 WAT X5959 18.358 39.685 39.690 0.00 0.00 +ATOM 19966 O WAT X5960 25.937 29.824 16.085 0.00 0.00 +ATOM 19967 H1 WAT X5960 25.353 30.535 16.350 0.00 0.00 +ATOM 19968 H2 WAT X5960 26.366 29.551 16.897 0.00 0.00 +ATOM 19969 O WAT X5961 11.069 52.973 54.483 0.00 0.00 +ATOM 19970 H1 WAT X5961 11.441 52.104 54.631 0.00 0.00 +ATOM 19971 H2 WAT X5961 10.125 52.848 54.576 0.00 0.00 +ATOM 19972 O WAT X5962 73.329 48.335 14.753 0.00 0.00 +ATOM 19973 H1 WAT X5962 74.109 48.326 15.308 0.00 0.00 +ATOM 19974 H2 WAT X5962 72.611 48.537 15.353 0.00 0.00 +ATOM 19975 O WAT X5963 11.488 40.578 53.736 0.00 0.00 +ATOM 19976 H1 WAT X5963 11.660 40.899 52.850 0.00 0.00 +ATOM 19977 H2 WAT X5963 11.122 41.333 54.197 0.00 0.00 +ATOM 19978 O WAT X5964 40.634 10.715 21.743 0.00 0.00 +ATOM 19979 H1 WAT X5964 40.364 11.548 21.358 0.00 0.00 +ATOM 19980 H2 WAT X5964 40.525 10.840 22.686 0.00 0.00 +ATOM 19981 O WAT X5965 63.524 22.782 19.424 0.00 0.00 +ATOM 19982 H1 WAT X5965 63.621 22.819 18.472 0.00 0.00 +ATOM 19983 H2 WAT X5965 64.381 23.043 19.762 0.00 0.00 +ATOM 19984 O WAT X5966 49.458 62.792 15.414 0.00 0.00 +ATOM 19985 H1 WAT X5966 49.546 61.994 15.935 0.00 0.00 +ATOM 19986 H2 WAT X5966 49.837 63.479 15.962 0.00 0.00 +ATOM 19987 O WAT X5967 50.286 43.725 45.122 0.00 0.00 +ATOM 19988 H1 WAT X5967 49.335 43.731 45.011 0.00 0.00 +ATOM 19989 H2 WAT X5967 50.518 44.646 45.240 0.00 0.00 +ATOM 19990 O WAT X5968 27.333 53.392 54.578 0.00 0.00 +ATOM 19991 H1 WAT X5968 27.486 53.952 55.339 0.00 0.00 +ATOM 19992 H2 WAT X5968 27.343 53.992 53.832 0.00 0.00 +ATOM 19993 O WAT X5969 74.139 16.067 15.563 0.00 0.00 +ATOM 19994 H1 WAT X5969 73.849 15.234 15.934 0.00 0.00 +ATOM 19995 H2 WAT X5969 73.923 16.716 16.233 0.00 0.00 +ATOM 19996 O WAT X5970 2.199 9.009 18.285 0.00 0.00 +ATOM 19997 H1 WAT X5970 2.781 8.954 17.527 0.00 0.00 +ATOM 19998 H2 WAT X5970 1.386 8.597 17.992 0.00 0.00 +ATOM 19999 O WAT X5971 30.254 60.499 14.874 0.00 0.00 +ATOM 20000 H1 WAT X5971 30.506 60.597 15.793 0.00 0.00 +ATOM 20001 H2 WAT X5971 30.287 61.388 14.521 0.00 0.00 +ATOM 20002 O WAT X5972 17.116 60.400 9.642 0.00 0.00 +ATOM 20003 H1 WAT X5972 17.084 60.381 10.598 0.00 0.00 +ATOM 20004 H2 WAT X5972 18.010 60.134 9.426 0.00 0.00 +ATOM 20005 O WAT X5973 69.321 53.164 16.119 0.00 0.00 +ATOM 20006 H1 WAT X5973 69.956 53.456 16.773 0.00 0.00 +ATOM 20007 H2 WAT X5973 69.819 53.124 15.302 0.00 0.00 +ATOM 20008 O WAT X5974 10.603 35.879 4.772 0.00 0.00 +ATOM 20009 H1 WAT X5974 10.026 35.536 4.089 0.00 0.00 +ATOM 20010 H2 WAT X5974 10.418 35.333 5.537 0.00 0.00 +ATOM 20011 O WAT X5975 28.227 9.712 24.823 0.00 0.00 +ATOM 20012 H1 WAT X5975 28.715 9.263 24.132 0.00 0.00 +ATOM 20013 H2 WAT X5975 27.309 9.617 24.569 0.00 0.00 +ATOM 20014 O WAT X5976 17.466 60.109 29.141 0.00 0.00 +ATOM 20015 H1 WAT X5976 18.364 60.175 28.816 0.00 0.00 +ATOM 20016 H2 WAT X5976 16.980 59.709 28.419 0.00 0.00 +ATOM 20017 O WAT X5977 45.853 29.472 51.939 0.00 0.00 +ATOM 20018 H1 WAT X5977 45.465 29.593 52.806 0.00 0.00 +ATOM 20019 H2 WAT X5977 45.102 29.392 51.350 0.00 0.00 +ATOM 20020 O WAT X5978 39.774 39.167 40.223 0.00 0.00 +ATOM 20021 H1 WAT X5978 39.996 38.236 40.224 0.00 0.00 +ATOM 20022 H2 WAT X5978 39.072 39.247 40.869 0.00 0.00 +ATOM 20023 O WAT X5979 54.450 48.377 55.780 0.00 0.00 +ATOM 20024 H1 WAT X5979 53.720 48.137 56.351 0.00 0.00 +ATOM 20025 H2 WAT X5979 55.176 48.550 56.380 0.00 0.00 +ATOM 20026 O WAT X5980 17.899 36.227 43.821 0.00 0.00 +ATOM 20027 H1 WAT X5980 18.492 36.505 43.123 0.00 0.00 +ATOM 20028 H2 WAT X5980 17.541 35.394 43.513 0.00 0.00 +ATOM 20029 O WAT X5981 23.092 36.002 36.888 0.00 0.00 +ATOM 20030 H1 WAT X5981 22.506 35.325 37.227 0.00 0.00 +ATOM 20031 H2 WAT X5981 22.779 36.813 37.288 0.00 0.00 +ATOM 20032 O WAT X5982 50.535 11.497 3.245 0.00 0.00 +ATOM 20033 H1 WAT X5982 51.400 11.171 3.494 0.00 0.00 +ATOM 20034 H2 WAT X5982 50.710 12.327 2.802 0.00 0.00 +ATOM 20035 O WAT X5983 17.796 3.686 41.010 0.00 0.00 +ATOM 20036 H1 WAT X5983 17.310 2.893 41.234 0.00 0.00 +ATOM 20037 H2 WAT X5983 17.460 4.351 41.612 0.00 0.00 +ATOM 20038 O WAT X5984 24.335 54.674 19.347 0.00 0.00 +ATOM 20039 H1 WAT X5984 23.422 54.950 19.431 0.00 0.00 +ATOM 20040 H2 WAT X5984 24.329 53.749 19.594 0.00 0.00 +ATOM 20041 O WAT X5985 63.640 11.721 41.310 0.00 0.00 +ATOM 20042 H1 WAT X5985 64.248 11.176 41.809 0.00 0.00 +ATOM 20043 H2 WAT X5985 64.002 12.605 41.373 0.00 0.00 +ATOM 20044 O WAT X5986 53.316 59.206 24.311 0.00 0.00 +ATOM 20045 H1 WAT X5986 53.759 59.849 23.757 0.00 0.00 +ATOM 20046 H2 WAT X5986 52.402 59.239 24.031 0.00 0.00 +ATOM 20047 O WAT X5987 12.716 2.811 16.907 0.00 0.00 +ATOM 20048 H1 WAT X5987 11.904 3.002 16.439 0.00 0.00 +ATOM 20049 H2 WAT X5987 13.351 2.621 16.217 0.00 0.00 +ATOM 20050 O WAT X5988 30.186 20.878 38.516 0.00 0.00 +ATOM 20051 H1 WAT X5988 29.329 20.667 38.146 0.00 0.00 +ATOM 20052 H2 WAT X5988 30.339 20.196 39.169 0.00 0.00 +ATOM 20053 O WAT X5989 73.346 40.359 50.492 0.00 0.00 +ATOM 20054 H1 WAT X5989 73.786 40.170 51.320 0.00 0.00 +ATOM 20055 H2 WAT X5989 73.228 39.502 50.082 0.00 0.00 +ATOM 20056 O WAT X5990 58.908 40.981 10.037 0.00 0.00 +ATOM 20057 H1 WAT X5990 59.445 41.595 10.538 0.00 0.00 +ATOM 20058 H2 WAT X5990 59.538 40.483 9.516 0.00 0.00 +ATOM 20059 O WAT X5991 12.190 4.981 52.127 0.00 0.00 +ATOM 20060 H1 WAT X5991 11.920 4.286 51.526 0.00 0.00 +ATOM 20061 H2 WAT X5991 11.870 5.786 51.721 0.00 0.00 +ATOM 20062 O WAT X5992 41.204 53.209 41.028 0.00 0.00 +ATOM 20063 H1 WAT X5992 41.771 53.705 40.436 0.00 0.00 +ATOM 20064 H2 WAT X5992 40.336 53.593 40.906 0.00 0.00 +ATOM 20065 O WAT X5993 34.144 60.320 52.417 0.00 0.00 +ATOM 20066 H1 WAT X5993 34.755 60.966 52.061 0.00 0.00 +ATOM 20067 H2 WAT X5993 34.662 59.827 53.053 0.00 0.00 +ATOM 20068 O WAT X5994 64.535 1.308 4.282 0.00 0.00 +ATOM 20069 H1 WAT X5994 65.001 0.555 4.645 0.00 0.00 +ATOM 20070 H2 WAT X5994 63.654 0.980 4.101 0.00 0.00 +ATOM 20071 O WAT X5995 70.310 40.703 52.358 0.00 0.00 +ATOM 20072 H1 WAT X5995 70.500 41.612 52.126 0.00 0.00 +ATOM 20073 H2 WAT X5995 69.877 40.344 51.583 0.00 0.00 +ATOM 20074 O WAT X5996 76.334 54.438 44.617 0.00 0.00 +ATOM 20075 H1 WAT X5996 76.990 53.745 44.694 0.00 0.00 +ATOM 20076 H2 WAT X5996 75.956 54.508 45.494 0.00 0.00 +ATOM 20077 O WAT X5997 48.929 47.141 40.446 0.00 0.00 +ATOM 20078 H1 WAT X5997 49.817 47.020 40.109 0.00 0.00 +ATOM 20079 H2 WAT X5997 48.871 48.078 40.636 0.00 0.00 +ATOM 20080 O WAT X5998 43.379 5.698 26.925 0.00 0.00 +ATOM 20081 H1 WAT X5998 43.784 5.616 27.788 0.00 0.00 +ATOM 20082 H2 WAT X5998 43.437 6.631 26.721 0.00 0.00 +ATOM 20083 O WAT X5999 59.760 41.048 21.489 0.00 0.00 +ATOM 20084 H1 WAT X5999 59.966 41.084 22.423 0.00 0.00 +ATOM 20085 H2 WAT X5999 59.510 41.945 21.264 0.00 0.00 +ATOM 20086 O WAT X6000 28.429 39.938 3.784 0.00 0.00 +ATOM 20087 H1 WAT X6000 27.784 40.587 4.065 0.00 0.00 +ATOM 20088 H2 WAT X6000 28.864 40.343 3.034 0.00 0.00 +ATOM 20089 O WAT X6001 16.230 11.849 0.955 0.00 0.00 +ATOM 20090 H1 WAT X6001 16.268 12.185 0.060 0.00 0.00 +ATOM 20091 H2 WAT X6001 16.988 11.268 1.026 0.00 0.00 +ATOM 20092 O WAT X6002 67.268 0.219 54.044 0.00 0.00 +ATOM 20093 H1 WAT X6002 66.543 0.540 53.509 0.00 0.00 +ATOM 20094 H2 WAT X6002 67.434 0.924 54.670 0.00 0.00 +ATOM 20095 O WAT X6003 28.696 15.702 38.703 0.00 0.00 +ATOM 20096 H1 WAT X6003 27.906 15.385 39.141 0.00 0.00 +ATOM 20097 H2 WAT X6003 28.411 15.904 37.812 0.00 0.00 +ATOM 20098 O WAT X6004 31.795 50.735 41.002 0.00 0.00 +ATOM 20099 H1 WAT X6004 31.854 50.732 40.046 0.00 0.00 +ATOM 20100 H2 WAT X6004 32.185 49.903 41.269 0.00 0.00 +ATOM 20101 O WAT X6005 63.557 22.636 13.563 0.00 0.00 +ATOM 20102 H1 WAT X6005 62.769 23.171 13.470 0.00 0.00 +ATOM 20103 H2 WAT X6005 63.330 21.801 13.153 0.00 0.00 +ATOM 20104 O WAT X6006 60.892 46.807 12.481 0.00 0.00 +ATOM 20105 H1 WAT X6006 61.513 47.524 12.351 0.00 0.00 +ATOM 20106 H2 WAT X6006 61.439 46.024 12.541 0.00 0.00 +ATOM 20107 O WAT X6007 11.193 39.015 46.688 0.00 0.00 +ATOM 20108 H1 WAT X6007 11.150 38.561 45.847 0.00 0.00 +ATOM 20109 H2 WAT X6007 10.960 39.921 46.485 0.00 0.00 +ATOM 20110 O WAT X6008 65.748 25.915 52.252 0.00 0.00 +ATOM 20111 H1 WAT X6008 64.887 25.956 51.836 0.00 0.00 +ATOM 20112 H2 WAT X6008 66.232 26.650 51.874 0.00 0.00 +ATOM 20113 O WAT X6009 24.573 32.376 53.733 0.00 0.00 +ATOM 20114 H1 WAT X6009 24.015 31.824 53.186 0.00 0.00 +ATOM 20115 H2 WAT X6009 24.105 32.441 54.566 0.00 0.00 +ATOM 20116 O WAT X6010 38.033 47.747 32.238 0.00 0.00 +ATOM 20117 H1 WAT X6010 37.776 48.623 32.526 0.00 0.00 +ATOM 20118 H2 WAT X6010 37.588 47.155 32.845 0.00 0.00 +ATOM 20119 O WAT X6011 4.113 24.536 11.107 0.00 0.00 +ATOM 20120 H1 WAT X6011 3.437 24.976 10.592 0.00 0.00 +ATOM 20121 H2 WAT X6011 4.198 25.070 11.897 0.00 0.00 +ATOM 20122 O WAT X6012 44.014 52.730 2.040 0.00 0.00 +ATOM 20123 H1 WAT X6012 43.639 52.000 1.547 0.00 0.00 +ATOM 20124 H2 WAT X6012 44.282 52.343 2.874 0.00 0.00 +ATOM 20125 O WAT X6013 38.940 45.980 49.037 0.00 0.00 +ATOM 20126 H1 WAT X6013 38.035 46.273 49.144 0.00 0.00 +ATOM 20127 H2 WAT X6013 38.884 45.252 48.418 0.00 0.00 +ATOM 20128 O WAT X6014 48.022 61.064 18.503 0.00 0.00 +ATOM 20129 H1 WAT X6014 47.727 60.521 19.234 0.00 0.00 +ATOM 20130 H2 WAT X6014 47.407 61.799 18.488 0.00 0.00 +ATOM 20131 O WAT X6015 77.485 50.060 7.403 0.00 0.00 +ATOM 20132 H1 WAT X6015 77.357 49.235 7.871 0.00 0.00 +ATOM 20133 H2 WAT X6015 78.405 50.279 7.550 0.00 0.00 +ATOM 20134 O WAT X6016 47.099 43.856 54.524 0.00 0.00 +ATOM 20135 H1 WAT X6016 47.502 44.717 54.411 0.00 0.00 +ATOM 20136 H2 WAT X6016 46.345 43.865 53.935 0.00 0.00 +ATOM 20137 O WAT X6017 69.885 23.887 23.527 0.00 0.00 +ATOM 20138 H1 WAT X6017 69.015 23.524 23.696 0.00 0.00 +ATOM 20139 H2 WAT X6017 69.717 24.780 23.224 0.00 0.00 +ATOM 20140 O WAT X6018 11.531 36.458 21.856 0.00 0.00 +ATOM 20141 H1 WAT X6018 10.921 36.884 21.255 0.00 0.00 +ATOM 20142 H2 WAT X6018 11.616 37.071 22.586 0.00 0.00 +ATOM 20143 O WAT X6019 61.930 4.138 50.404 0.00 0.00 +ATOM 20144 H1 WAT X6019 62.592 3.453 50.314 0.00 0.00 +ATOM 20145 H2 WAT X6019 61.287 3.941 49.723 0.00 0.00 +ATOM 20146 O WAT X6020 47.392 31.226 4.407 0.00 0.00 +ATOM 20147 H1 WAT X6020 46.717 30.579 4.612 0.00 0.00 +ATOM 20148 H2 WAT X6020 47.410 31.259 3.451 0.00 0.00 +ATOM 20149 O WAT X6021 11.306 61.477 31.189 0.00 0.00 +ATOM 20150 H1 WAT X6021 11.736 60.674 30.896 0.00 0.00 +ATOM 20151 H2 WAT X6021 10.691 61.690 30.487 0.00 0.00 +ATOM 20152 O WAT X6022 65.953 19.832 55.529 0.00 0.00 +ATOM 20153 H1 WAT X6022 66.539 19.624 56.257 0.00 0.00 +ATOM 20154 H2 WAT X6022 66.325 19.365 54.781 0.00 0.00 +ATOM 20155 O WAT X6023 54.460 55.360 16.370 0.00 0.00 +ATOM 20156 H1 WAT X6023 54.693 56.200 15.974 0.00 0.00 +ATOM 20157 H2 WAT X6023 54.294 54.782 15.625 0.00 0.00 +ATOM 20158 O WAT X6024 11.114 24.765 38.396 0.00 0.00 +ATOM 20159 H1 WAT X6024 11.741 24.369 37.790 0.00 0.00 +ATOM 20160 H2 WAT X6024 11.108 24.178 39.152 0.00 0.00 +ATOM 20161 O WAT X6025 46.870 37.132 58.082 0.00 0.00 +ATOM 20162 H1 WAT X6025 46.134 36.523 58.024 0.00 0.00 +ATOM 20163 H2 WAT X6025 47.585 36.689 57.625 0.00 0.00 +ATOM 20164 O WAT X6026 33.080 50.487 26.573 0.00 0.00 +ATOM 20165 H1 WAT X6026 32.284 49.980 26.414 0.00 0.00 +ATOM 20166 H2 WAT X6026 33.791 49.910 26.293 0.00 0.00 +ATOM 20167 O WAT X6027 29.537 43.419 47.035 0.00 0.00 +ATOM 20168 H1 WAT X6027 28.991 44.204 47.004 0.00 0.00 +ATOM 20169 H2 WAT X6027 29.003 42.773 47.498 0.00 0.00 +ATOM 20170 O WAT X6028 31.536 62.175 33.404 0.00 0.00 +ATOM 20171 H1 WAT X6028 30.669 61.771 33.448 0.00 0.00 +ATOM 20172 H2 WAT X6028 32.025 61.627 32.790 0.00 0.00 +ATOM 20173 O WAT X6029 41.394 16.507 55.793 0.00 0.00 +ATOM 20174 H1 WAT X6029 41.733 17.402 55.753 0.00 0.00 +ATOM 20175 H2 WAT X6029 40.987 16.445 56.657 0.00 0.00 +ATOM 20176 O WAT X6030 31.025 41.599 9.255 0.00 0.00 +ATOM 20177 H1 WAT X6030 31.565 40.877 8.935 0.00 0.00 +ATOM 20178 H2 WAT X6030 30.355 41.177 9.793 0.00 0.00 +ATOM 20179 O WAT X6031 57.654 34.952 42.769 0.00 0.00 +ATOM 20180 H1 WAT X6031 56.840 35.454 42.794 0.00 0.00 +ATOM 20181 H2 WAT X6031 58.344 35.615 42.730 0.00 0.00 +ATOM 20182 O WAT X6032 29.032 44.774 14.154 0.00 0.00 +ATOM 20183 H1 WAT X6032 28.342 44.708 13.494 0.00 0.00 +ATOM 20184 H2 WAT X6032 29.217 45.711 14.215 0.00 0.00 +ATOM 20185 O WAT X6033 37.193 36.219 3.053 0.00 0.00 +ATOM 20186 H1 WAT X6033 37.036 35.306 3.291 0.00 0.00 +ATOM 20187 H2 WAT X6033 38.141 36.277 2.936 0.00 0.00 +ATOM 20188 O WAT X6034 32.525 6.331 56.922 0.00 0.00 +ATOM 20189 H1 WAT X6034 31.859 5.831 56.450 0.00 0.00 +ATOM 20190 H2 WAT X6034 33.348 5.888 56.715 0.00 0.00 +ATOM 20191 O WAT X6035 77.549 31.044 57.652 0.00 0.00 +ATOM 20192 H1 WAT X6035 76.716 30.951 58.113 0.00 0.00 +ATOM 20193 H2 WAT X6035 77.540 30.345 56.998 0.00 0.00 +ATOM 20194 O WAT X6036 8.656 33.479 52.374 0.00 0.00 +ATOM 20195 H1 WAT X6036 9.353 33.746 52.973 0.00 0.00 +ATOM 20196 H2 WAT X6036 8.126 34.268 52.256 0.00 0.00 +ATOM 20197 O WAT X6037 30.247 10.521 16.084 0.00 0.00 +ATOM 20198 H1 WAT X6037 30.513 10.589 15.167 0.00 0.00 +ATOM 20199 H2 WAT X6037 31.071 10.489 16.570 0.00 0.00 +ATOM 20200 O WAT X6038 28.271 42.797 16.200 0.00 0.00 +ATOM 20201 H1 WAT X6038 27.316 42.846 16.156 0.00 0.00 +ATOM 20202 H2 WAT X6038 28.572 43.577 15.733 0.00 0.00 +ATOM 20203 O WAT X6039 3.238 29.808 30.495 0.00 0.00 +ATOM 20204 H1 WAT X6039 2.339 29.656 30.205 0.00 0.00 +ATOM 20205 H2 WAT X6039 3.211 30.664 30.922 0.00 0.00 +ATOM 20206 O WAT X6040 39.634 9.615 2.162 0.00 0.00 +ATOM 20207 H1 WAT X6040 39.991 10.401 2.576 0.00 0.00 +ATOM 20208 H2 WAT X6040 38.686 9.751 2.167 0.00 0.00 +ATOM 20209 O WAT X6041 11.033 17.907 27.496 0.00 0.00 +ATOM 20210 H1 WAT X6041 11.811 17.355 27.423 0.00 0.00 +ATOM 20211 H2 WAT X6041 10.647 17.895 26.620 0.00 0.00 +ATOM 20212 O WAT X6042 8.822 40.863 56.347 0.00 0.00 +ATOM 20213 H1 WAT X6042 9.418 41.411 55.837 0.00 0.00 +ATOM 20214 H2 WAT X6042 7.950 41.089 56.023 0.00 0.00 +ATOM 20215 O WAT X6043 61.379 54.861 14.300 0.00 0.00 +ATOM 20216 H1 WAT X6043 62.300 55.110 14.225 0.00 0.00 +ATOM 20217 H2 WAT X6043 60.897 55.674 14.147 0.00 0.00 +ATOM 20218 O WAT X6044 57.922 37.215 46.577 0.00 0.00 +ATOM 20219 H1 WAT X6044 58.434 36.660 45.988 0.00 0.00 +ATOM 20220 H2 WAT X6044 57.281 36.621 46.967 0.00 0.00 +ATOM 20221 O WAT X6045 13.562 2.106 34.435 0.00 0.00 +ATOM 20222 H1 WAT X6045 14.346 1.963 34.965 0.00 0.00 +ATOM 20223 H2 WAT X6045 13.139 2.867 34.833 0.00 0.00 +ATOM 20224 O WAT X6046 25.416 35.054 44.126 0.00 0.00 +ATOM 20225 H1 WAT X6046 25.613 34.720 43.251 0.00 0.00 +ATOM 20226 H2 WAT X6046 26.264 35.332 44.473 0.00 0.00 +ATOM 20227 O WAT X6047 66.032 26.108 47.276 0.00 0.00 +ATOM 20228 H1 WAT X6047 66.092 25.736 46.397 0.00 0.00 +ATOM 20229 H2 WAT X6047 65.117 25.980 47.528 0.00 0.00 +ATOM 20230 O WAT X6048 41.422 42.942 16.300 0.00 0.00 +ATOM 20231 H1 WAT X6048 40.911 43.588 15.812 0.00 0.00 +ATOM 20232 H2 WAT X6048 42.223 43.405 16.544 0.00 0.00 +ATOM 20233 O WAT X6049 71.032 14.562 46.366 0.00 0.00 +ATOM 20234 H1 WAT X6049 71.596 15.335 46.375 0.00 0.00 +ATOM 20235 H2 WAT X6049 70.155 14.903 46.541 0.00 0.00 +ATOM 20236 O WAT X6050 34.549 31.987 46.346 0.00 0.00 +ATOM 20237 H1 WAT X6050 33.694 31.588 46.184 0.00 0.00 +ATOM 20238 H2 WAT X6050 34.564 32.145 47.290 0.00 0.00 +ATOM 20239 O WAT X6051 3.394 0.741 46.980 0.00 0.00 +ATOM 20240 H1 WAT X6051 3.774 1.525 47.376 0.00 0.00 +ATOM 20241 H2 WAT X6051 3.543 0.851 46.041 0.00 0.00 +ATOM 20242 O WAT X6052 5.699 37.981 45.026 0.00 0.00 +ATOM 20243 H1 WAT X6052 5.293 38.183 44.183 0.00 0.00 +ATOM 20244 H2 WAT X6052 5.989 37.073 44.940 0.00 0.00 +ATOM 20245 O WAT X6053 31.317 42.750 29.557 0.00 0.00 +ATOM 20246 H1 WAT X6053 32.071 42.283 29.197 0.00 0.00 +ATOM 20247 H2 WAT X6053 31.060 43.359 28.864 0.00 0.00 +ATOM 20248 O WAT X6054 20.871 53.532 43.619 0.00 0.00 +ATOM 20249 H1 WAT X6054 20.003 53.552 44.022 0.00 0.00 +ATOM 20250 H2 WAT X6054 21.179 54.437 43.669 0.00 0.00 +ATOM 20251 O WAT X6055 38.968 46.435 29.965 0.00 0.00 +ATOM 20252 H1 WAT X6055 38.688 46.662 30.852 0.00 0.00 +ATOM 20253 H2 WAT X6055 39.851 46.083 30.076 0.00 0.00 +ATOM 20254 O WAT X6056 68.767 47.794 36.013 0.00 0.00 +ATOM 20255 H1 WAT X6056 68.428 48.671 36.193 0.00 0.00 +ATOM 20256 H2 WAT X6056 68.828 47.380 36.874 0.00 0.00 +ATOM 20257 O WAT X6057 41.978 22.122 53.815 0.00 0.00 +ATOM 20258 H1 WAT X6057 41.199 22.582 54.126 0.00 0.00 +ATOM 20259 H2 WAT X6057 41.638 21.341 53.379 0.00 0.00 +ATOM 20260 O WAT X6058 40.201 61.727 57.633 0.00 0.00 +ATOM 20261 H1 WAT X6058 41.135 61.533 57.707 0.00 0.00 +ATOM 20262 H2 WAT X6058 39.875 61.093 56.994 0.00 0.00 +ATOM 20263 O WAT X6059 44.790 18.815 43.834 0.00 0.00 +ATOM 20264 H1 WAT X6059 45.578 18.508 43.386 0.00 0.00 +ATOM 20265 H2 WAT X6059 44.706 19.731 43.570 0.00 0.00 +ATOM 20266 O WAT X6060 2.948 43.808 42.279 0.00 0.00 +ATOM 20267 H1 WAT X6060 3.900 43.834 42.192 0.00 0.00 +ATOM 20268 H2 WAT X6060 2.792 43.251 43.042 0.00 0.00 +ATOM 20269 O WAT X6061 50.926 29.426 11.813 0.00 0.00 +ATOM 20270 H1 WAT X6061 50.709 28.520 12.035 0.00 0.00 +ATOM 20271 H2 WAT X6061 51.237 29.382 10.908 0.00 0.00 +ATOM 20272 O WAT X6062 6.827 58.289 -0.221 0.00 0.00 +ATOM 20273 H1 WAT X6062 6.502 57.395 -0.325 0.00 0.00 +ATOM 20274 H2 WAT X6062 7.177 58.315 0.670 0.00 0.00 +ATOM 20275 O WAT X6063 50.976 44.061 11.789 0.00 0.00 +ATOM 20276 H1 WAT X6063 50.526 43.277 11.475 0.00 0.00 +ATOM 20277 H2 WAT X6063 50.321 44.755 11.725 0.00 0.00 +ATOM 20278 O WAT X6064 27.874 60.183 6.043 0.00 0.00 +ATOM 20279 H1 WAT X6064 28.028 59.240 6.086 0.00 0.00 +ATOM 20280 H2 WAT X6064 27.955 60.397 5.114 0.00 0.00 +ATOM 20281 O WAT X6065 37.473 32.136 1.462 0.00 0.00 +ATOM 20282 H1 WAT X6065 38.125 31.505 1.156 0.00 0.00 +ATOM 20283 H2 WAT X6065 36.641 31.666 1.411 0.00 0.00 +ATOM 20284 O WAT X6066 30.076 0.507 4.304 0.00 0.00 +ATOM 20285 H1 WAT X6066 30.380 -0.133 4.948 0.00 0.00 +ATOM 20286 H2 WAT X6066 30.837 1.063 4.142 0.00 0.00 +ATOM 20287 O WAT X6067 29.058 12.321 9.932 0.00 0.00 +ATOM 20288 H1 WAT X6067 29.788 11.818 9.571 0.00 0.00 +ATOM 20289 H2 WAT X6067 29.390 13.217 9.991 0.00 0.00 +ATOM 20290 O WAT X6068 36.325 36.866 14.718 0.00 0.00 +ATOM 20291 H1 WAT X6068 36.939 37.276 14.109 0.00 0.00 +ATOM 20292 H2 WAT X6068 36.866 36.605 15.464 0.00 0.00 +ATOM 20293 O WAT X6069 46.686 6.928 6.617 0.00 0.00 +ATOM 20294 H1 WAT X6069 45.749 7.032 6.786 0.00 0.00 +ATOM 20295 H2 WAT X6069 46.835 5.984 6.663 0.00 0.00 +ATOM 20296 O WAT X6070 13.228 60.259 3.743 0.00 0.00 +ATOM 20297 H1 WAT X6070 12.727 59.445 3.800 0.00 0.00 +ATOM 20298 H2 WAT X6070 12.840 60.826 4.409 0.00 0.00 +ATOM 20299 O WAT X6071 73.339 49.189 43.218 0.00 0.00 +ATOM 20300 H1 WAT X6071 73.192 49.978 43.739 0.00 0.00 +ATOM 20301 H2 WAT X6071 74.193 49.328 42.809 0.00 0.00 +ATOM 20302 O WAT X6072 55.277 29.890 19.573 0.00 0.00 +ATOM 20303 H1 WAT X6072 56.110 30.148 19.969 0.00 0.00 +ATOM 20304 H2 WAT X6072 54.641 30.513 19.926 0.00 0.00 +ATOM 20305 O WAT X6073 62.951 56.732 16.934 0.00 0.00 +ATOM 20306 H1 WAT X6073 62.596 57.591 17.164 0.00 0.00 +ATOM 20307 H2 WAT X6073 62.180 56.172 16.840 0.00 0.00 +ATOM 20308 O WAT X6074 72.794 6.690 28.976 0.00 0.00 +ATOM 20309 H1 WAT X6074 72.184 5.954 28.936 0.00 0.00 +ATOM 20310 H2 WAT X6074 72.278 7.409 29.341 0.00 0.00 +ATOM 20311 O WAT X6075 33.989 8.219 52.102 0.00 0.00 +ATOM 20312 H1 WAT X6075 34.201 8.488 51.208 0.00 0.00 +ATOM 20313 H2 WAT X6075 34.789 7.804 52.424 0.00 0.00 +ATOM 20314 O WAT X6076 25.113 7.247 42.485 0.00 0.00 +ATOM 20315 H1 WAT X6076 25.356 7.309 43.409 0.00 0.00 +ATOM 20316 H2 WAT X6076 24.782 8.118 42.266 0.00 0.00 +ATOM 20317 O WAT X6077 4.897 58.696 20.141 0.00 0.00 +ATOM 20318 H1 WAT X6077 4.152 58.921 19.583 0.00 0.00 +ATOM 20319 H2 WAT X6077 5.595 58.466 19.527 0.00 0.00 +ATOM 20320 O WAT X6078 -0.050 31.883 20.094 0.00 0.00 +ATOM 20321 H1 WAT X6078 -0.715 32.523 19.837 0.00 0.00 +ATOM 20322 H2 WAT X6078 0.783 32.334 19.957 0.00 0.00 +ATOM 20323 O WAT X6079 76.668 41.778 7.989 0.00 0.00 +ATOM 20324 H1 WAT X6079 77.515 41.334 7.940 0.00 0.00 +ATOM 20325 H2 WAT X6079 76.244 41.401 8.759 0.00 0.00 +ATOM 20326 O WAT X6080 21.453 40.499 55.316 0.00 0.00 +ATOM 20327 H1 WAT X6080 21.660 40.643 56.239 0.00 0.00 +ATOM 20328 H2 WAT X6080 21.416 39.547 55.224 0.00 0.00 +ATOM 20329 O WAT X6081 0.219 31.961 15.208 0.00 0.00 +ATOM 20330 H1 WAT X6081 0.460 31.056 15.403 0.00 0.00 +ATOM 20331 H2 WAT X6081 0.101 32.368 16.066 0.00 0.00 +ATOM 20332 O WAT X6082 75.299 48.331 29.799 0.00 0.00 +ATOM 20333 H1 WAT X6082 75.677 47.760 30.467 0.00 0.00 +ATOM 20334 H2 WAT X6082 74.406 48.008 29.685 0.00 0.00 +ATOM 20335 O WAT X6083 8.384 14.989 21.152 0.00 0.00 +ATOM 20336 H1 WAT X6083 8.366 14.331 21.847 0.00 0.00 +ATOM 20337 H2 WAT X6083 7.482 15.304 21.097 0.00 0.00 +ATOM 20338 O WAT X6084 19.765 28.594 56.394 0.00 0.00 +ATOM 20339 H1 WAT X6084 19.766 28.458 57.341 0.00 0.00 +ATOM 20340 H2 WAT X6084 18.948 29.061 56.220 0.00 0.00 +ATOM 20341 O WAT X6085 56.714 37.331 10.497 0.00 0.00 +ATOM 20342 H1 WAT X6085 56.835 36.748 11.247 0.00 0.00 +ATOM 20343 H2 WAT X6085 56.527 36.743 9.765 0.00 0.00 +ATOM 20344 O WAT X6086 36.175 30.383 7.357 0.00 0.00 +ATOM 20345 H1 WAT X6086 36.267 30.264 6.412 0.00 0.00 +ATOM 20346 H2 WAT X6086 35.269 30.670 7.474 0.00 0.00 +ATOM 20347 O WAT X6087 37.900 43.947 6.393 0.00 0.00 +ATOM 20348 H1 WAT X6087 37.974 44.901 6.423 0.00 0.00 +ATOM 20349 H2 WAT X6087 38.773 43.647 6.141 0.00 0.00 +ATOM 20350 O WAT X6088 2.179 51.192 13.518 0.00 0.00 +ATOM 20351 H1 WAT X6088 1.989 51.765 12.776 0.00 0.00 +ATOM 20352 H2 WAT X6088 2.921 50.662 13.228 0.00 0.00 +ATOM 20353 O WAT X6089 25.061 57.821 20.392 0.00 0.00 +ATOM 20354 H1 WAT X6089 25.840 57.507 20.850 0.00 0.00 +ATOM 20355 H2 WAT X6089 24.332 57.565 20.956 0.00 0.00 +ATOM 20356 O WAT X6090 41.225 60.088 17.203 0.00 0.00 +ATOM 20357 H1 WAT X6090 41.293 59.383 16.558 0.00 0.00 +ATOM 20358 H2 WAT X6090 40.387 60.508 17.012 0.00 0.00 +ATOM 20359 O WAT X6091 37.392 0.646 30.465 0.00 0.00 +ATOM 20360 H1 WAT X6091 36.943 0.438 29.646 0.00 0.00 +ATOM 20361 H2 WAT X6091 36.703 0.983 31.037 0.00 0.00 +ATOM 20362 O WAT X6092 4.464 53.466 50.752 0.00 0.00 +ATOM 20363 H1 WAT X6092 4.831 54.324 50.541 0.00 0.00 +ATOM 20364 H2 WAT X6092 5.027 52.844 50.291 0.00 0.00 +ATOM 20365 O WAT X6093 45.220 55.482 18.220 0.00 0.00 +ATOM 20366 H1 WAT X6093 45.729 55.560 17.413 0.00 0.00 +ATOM 20367 H2 WAT X6093 44.326 55.704 17.962 0.00 0.00 +ATOM 20368 O WAT X6094 10.834 41.294 17.833 0.00 0.00 +ATOM 20369 H1 WAT X6094 11.536 40.854 17.354 0.00 0.00 +ATOM 20370 H2 WAT X6094 10.082 40.708 17.748 0.00 0.00 +ATOM 20371 O WAT X6095 13.982 32.232 7.231 0.00 0.00 +ATOM 20372 H1 WAT X6095 14.675 31.744 7.675 0.00 0.00 +ATOM 20373 H2 WAT X6095 14.407 32.601 6.457 0.00 0.00 +ATOM 20374 O WAT X6096 58.135 10.866 18.368 0.00 0.00 +ATOM 20375 H1 WAT X6096 57.422 11.502 18.302 0.00 0.00 +ATOM 20376 H2 WAT X6096 58.758 11.134 17.693 0.00 0.00 +ATOM 20377 O WAT X6097 0.727 48.017 34.359 0.00 0.00 +ATOM 20378 H1 WAT X6097 1.379 48.633 34.025 0.00 0.00 +ATOM 20379 H2 WAT X6097 0.724 48.162 35.305 0.00 0.00 +ATOM 20380 O WAT X6098 3.635 25.691 13.549 0.00 0.00 +ATOM 20381 H1 WAT X6098 2.897 25.550 14.142 0.00 0.00 +ATOM 20382 H2 WAT X6098 4.401 25.405 14.048 0.00 0.00 +ATOM 20383 O WAT X6099 39.615 60.129 28.379 0.00 0.00 +ATOM 20384 H1 WAT X6099 39.228 59.392 27.905 0.00 0.00 +ATOM 20385 H2 WAT X6099 39.063 60.231 29.154 0.00 0.00 +ATOM 20386 O WAT X6100 68.815 4.971 19.631 0.00 0.00 +ATOM 20387 H1 WAT X6100 68.408 4.511 18.897 0.00 0.00 +ATOM 20388 H2 WAT X6100 69.207 5.751 19.238 0.00 0.00 +ATOM 20389 O WAT X6101 75.706 55.628 13.090 0.00 0.00 +ATOM 20390 H1 WAT X6101 75.195 55.309 12.345 0.00 0.00 +ATOM 20391 H2 WAT X6101 75.501 55.018 13.799 0.00 0.00 +ATOM 20392 O WAT X6102 22.829 19.269 50.602 0.00 0.00 +ATOM 20393 H1 WAT X6102 23.623 19.600 51.022 0.00 0.00 +ATOM 20394 H2 WAT X6102 22.567 19.968 50.001 0.00 0.00 +ATOM 20395 O WAT X6103 66.159 15.525 10.191 0.00 0.00 +ATOM 20396 H1 WAT X6103 66.743 16.282 10.153 0.00 0.00 +ATOM 20397 H2 WAT X6103 65.428 15.758 9.618 0.00 0.00 +ATOM 20398 O WAT X6104 5.437 51.223 3.027 0.00 0.00 +ATOM 20399 H1 WAT X6104 6.048 50.499 2.894 0.00 0.00 +ATOM 20400 H2 WAT X6104 5.630 51.541 3.909 0.00 0.00 +ATOM 20401 O WAT X6105 16.132 61.237 24.472 0.00 0.00 +ATOM 20402 H1 WAT X6105 15.251 61.278 24.100 0.00 0.00 +ATOM 20403 H2 WAT X6105 16.714 61.391 23.728 0.00 0.00 +ATOM 20404 O WAT X6106 63.839 5.448 16.281 0.00 0.00 +ATOM 20405 H1 WAT X6106 64.521 5.388 15.612 0.00 0.00 +ATOM 20406 H2 WAT X6106 64.317 5.457 17.110 0.00 0.00 +ATOM 20407 O WAT X6107 48.698 3.343 53.522 0.00 0.00 +ATOM 20408 H1 WAT X6107 48.383 3.424 52.622 0.00 0.00 +ATOM 20409 H2 WAT X6107 48.106 2.708 53.926 0.00 0.00 +ATOM 20410 O WAT X6108 23.487 21.046 11.542 0.00 0.00 +ATOM 20411 H1 WAT X6108 22.546 20.957 11.393 0.00 0.00 +ATOM 20412 H2 WAT X6108 23.747 20.212 11.934 0.00 0.00 +ATOM 20413 O WAT X6109 1.021 57.618 30.624 0.00 0.00 +ATOM 20414 H1 WAT X6109 0.974 56.992 29.902 0.00 0.00 +ATOM 20415 H2 WAT X6109 1.688 57.259 31.209 0.00 0.00 +ATOM 20416 O WAT X6110 2.372 35.202 14.777 0.00 0.00 +ATOM 20417 H1 WAT X6110 2.622 34.279 14.817 0.00 0.00 +ATOM 20418 H2 WAT X6110 2.373 35.410 13.842 0.00 0.00 +ATOM 20419 O WAT X6111 51.651 50.521 49.844 0.00 0.00 +ATOM 20420 H1 WAT X6111 52.019 51.383 50.040 0.00 0.00 +ATOM 20421 H2 WAT X6111 51.565 50.097 50.698 0.00 0.00 +ATOM 20422 O WAT X6112 4.379 54.905 45.056 0.00 0.00 +ATOM 20423 H1 WAT X6112 4.573 53.972 44.971 0.00 0.00 +ATOM 20424 H2 WAT X6112 5.221 55.339 44.916 0.00 0.00 +ATOM 20425 O WAT X6113 3.338 59.522 50.595 0.00 0.00 +ATOM 20426 H1 WAT X6113 3.641 59.524 49.687 0.00 0.00 +ATOM 20427 H2 WAT X6113 4.072 59.880 51.094 0.00 0.00 +ATOM 20428 O WAT X6114 13.071 60.383 25.319 0.00 0.00 +ATOM 20429 H1 WAT X6114 13.565 59.563 25.312 0.00 0.00 +ATOM 20430 H2 WAT X6114 13.195 60.743 24.440 0.00 0.00 +ATOM 20431 O WAT X6115 6.047 54.871 18.452 0.00 0.00 +ATOM 20432 H1 WAT X6115 5.137 54.800 18.740 0.00 0.00 +ATOM 20433 H2 WAT X6115 6.315 55.750 18.718 0.00 0.00 +ATOM 20434 O WAT X6116 4.688 43.423 22.476 0.00 0.00 +ATOM 20435 H1 WAT X6116 4.467 42.886 23.237 0.00 0.00 +ATOM 20436 H2 WAT X6116 4.713 42.804 21.746 0.00 0.00 +ATOM 20437 O WAT X6117 5.643 1.483 39.084 0.00 0.00 +ATOM 20438 H1 WAT X6117 4.740 1.165 39.054 0.00 0.00 +ATOM 20439 H2 WAT X6117 5.702 2.107 38.361 0.00 0.00 +ATOM 20440 O WAT X6118 74.465 14.165 50.321 0.00 0.00 +ATOM 20441 H1 WAT X6118 74.990 13.716 49.659 0.00 0.00 +ATOM 20442 H2 WAT X6118 73.739 13.567 50.497 0.00 0.00 +ATOM 20443 O WAT X6119 68.263 46.030 38.454 0.00 0.00 +ATOM 20444 H1 WAT X6119 68.244 45.166 38.864 0.00 0.00 +ATOM 20445 H2 WAT X6119 67.402 46.121 38.045 0.00 0.00 +ATOM 20446 O WAT X6120 69.144 48.221 9.315 0.00 0.00 +ATOM 20447 H1 WAT X6120 68.481 48.860 9.574 0.00 0.00 +ATOM 20448 H2 WAT X6120 68.709 47.373 9.407 0.00 0.00 +ATOM 20449 O WAT X6121 22.295 3.210 17.529 0.00 0.00 +ATOM 20450 H1 WAT X6121 22.219 3.117 16.579 0.00 0.00 +ATOM 20451 H2 WAT X6121 22.269 4.154 17.680 0.00 0.00 +ATOM 20452 O WAT X6122 22.356 19.942 15.464 0.00 0.00 +ATOM 20453 H1 WAT X6122 22.575 20.853 15.661 0.00 0.00 +ATOM 20454 H2 WAT X6122 22.047 19.960 14.558 0.00 0.00 +ATOM 20455 O WAT X6123 54.645 7.076 3.359 0.00 0.00 +ATOM 20456 H1 WAT X6123 54.515 8.024 3.379 0.00 0.00 +ATOM 20457 H2 WAT X6123 54.390 6.818 2.473 0.00 0.00 +ATOM 20458 O WAT X6124 8.176 53.725 25.128 0.00 0.00 +ATOM 20459 H1 WAT X6124 8.160 52.843 25.499 0.00 0.00 +ATOM 20460 H2 WAT X6124 7.303 53.843 24.753 0.00 0.00 +ATOM 20461 O WAT X6125 56.454 7.388 11.101 0.00 0.00 +ATOM 20462 H1 WAT X6125 56.884 7.953 10.459 0.00 0.00 +ATOM 20463 H2 WAT X6125 56.794 7.684 11.946 0.00 0.00 +ATOM 20464 O WAT X6126 13.219 56.510 31.785 0.00 0.00 +ATOM 20465 H1 WAT X6126 13.839 56.690 32.491 0.00 0.00 +ATOM 20466 H2 WAT X6126 12.404 56.921 32.071 0.00 0.00 +ATOM 20467 O WAT X6127 39.664 22.280 22.542 0.00 0.00 +ATOM 20468 H1 WAT X6127 39.428 21.435 22.923 0.00 0.00 +ATOM 20469 H2 WAT X6127 38.999 22.885 22.871 0.00 0.00 +ATOM 20470 O WAT X6128 30.424 50.591 32.893 0.00 0.00 +ATOM 20471 H1 WAT X6128 29.715 50.663 33.533 0.00 0.00 +ATOM 20472 H2 WAT X6128 31.223 50.586 33.421 0.00 0.00 +ATOM 20473 O WAT X6129 27.989 16.470 36.067 0.00 0.00 +ATOM 20474 H1 WAT X6129 27.412 16.393 35.308 0.00 0.00 +ATOM 20475 H2 WAT X6129 28.827 16.754 35.703 0.00 0.00 +ATOM 20476 O WAT X6130 24.751 40.626 42.535 0.00 0.00 +ATOM 20477 H1 WAT X6130 23.826 40.866 42.596 0.00 0.00 +ATOM 20478 H2 WAT X6130 25.166 41.082 43.267 0.00 0.00 +ATOM 20479 O WAT X6131 10.933 57.241 8.489 0.00 0.00 +ATOM 20480 H1 WAT X6131 10.838 56.295 8.378 0.00 0.00 +ATOM 20481 H2 WAT X6131 11.858 57.365 8.705 0.00 0.00 +ATOM 20482 O WAT X6132 43.175 26.510 46.083 0.00 0.00 +ATOM 20483 H1 WAT X6132 42.495 26.146 46.649 0.00 0.00 +ATOM 20484 H2 WAT X6132 43.840 25.822 46.035 0.00 0.00 +ATOM 20485 O WAT X6133 64.531 32.982 16.567 0.00 0.00 +ATOM 20486 H1 WAT X6133 64.211 33.501 17.305 0.00 0.00 +ATOM 20487 H2 WAT X6133 63.750 32.801 16.044 0.00 0.00 +ATOM 20488 O WAT X6134 8.464 47.892 47.680 0.00 0.00 +ATOM 20489 H1 WAT X6134 7.885 47.311 48.173 0.00 0.00 +ATOM 20490 H2 WAT X6134 9.340 47.697 48.014 0.00 0.00 +ATOM 20491 O WAT X6135 65.531 51.915 48.335 0.00 0.00 +ATOM 20492 H1 WAT X6135 65.479 52.190 47.419 0.00 0.00 +ATOM 20493 H2 WAT X6135 65.086 52.609 48.819 0.00 0.00 +ATOM 20494 O WAT X6136 47.049 8.610 24.656 0.00 0.00 +ATOM 20495 H1 WAT X6136 47.330 8.591 25.571 0.00 0.00 +ATOM 20496 H2 WAT X6136 47.465 9.392 24.294 0.00 0.00 +ATOM 20497 O WAT X6137 14.893 10.268 5.530 0.00 0.00 +ATOM 20498 H1 WAT X6137 15.139 9.831 4.715 0.00 0.00 +ATOM 20499 H2 WAT X6137 15.306 9.745 6.217 0.00 0.00 +ATOM 20500 O WAT X6138 11.411 23.153 25.919 0.00 0.00 +ATOM 20501 H1 WAT X6138 10.886 22.460 26.319 0.00 0.00 +ATOM 20502 H2 WAT X6138 11.292 23.908 26.496 0.00 0.00 +ATOM 20503 O WAT X6139 61.453 18.071 42.073 0.00 0.00 +ATOM 20504 H1 WAT X6139 61.525 17.517 41.295 0.00 0.00 +ATOM 20505 H2 WAT X6139 60.882 17.580 42.664 0.00 0.00 +ATOM 20506 O WAT X6140 35.655 2.509 5.094 0.00 0.00 +ATOM 20507 H1 WAT X6140 35.912 2.394 4.179 0.00 0.00 +ATOM 20508 H2 WAT X6140 36.395 2.169 5.596 0.00 0.00 +ATOM 20509 O WAT X6141 31.103 47.799 53.574 0.00 0.00 +ATOM 20510 H1 WAT X6141 31.543 47.207 52.963 0.00 0.00 +ATOM 20511 H2 WAT X6141 31.287 48.674 53.234 0.00 0.00 +ATOM 20512 O WAT X6142 50.928 56.065 24.273 0.00 0.00 +ATOM 20513 H1 WAT X6142 50.854 56.269 25.206 0.00 0.00 +ATOM 20514 H2 WAT X6142 51.138 56.902 23.860 0.00 0.00 +ATOM 20515 O WAT X6143 20.612 22.042 4.181 0.00 0.00 +ATOM 20516 H1 WAT X6143 20.801 22.251 5.096 0.00 0.00 +ATOM 20517 H2 WAT X6143 21.071 22.717 3.681 0.00 0.00 +ATOM 20518 O WAT X6144 53.504 15.071 46.983 0.00 0.00 +ATOM 20519 H1 WAT X6144 54.042 14.522 46.413 0.00 0.00 +ATOM 20520 H2 WAT X6144 53.817 15.962 46.823 0.00 0.00 +ATOM 20521 O WAT X6145 73.746 31.194 49.777 0.00 0.00 +ATOM 20522 H1 WAT X6145 74.151 30.990 50.620 0.00 0.00 +ATOM 20523 H2 WAT X6145 74.031 32.087 49.585 0.00 0.00 +ATOM 20524 O WAT X6146 27.112 25.607 41.747 0.00 0.00 +ATOM 20525 H1 WAT X6146 26.241 25.307 42.007 0.00 0.00 +ATOM 20526 H2 WAT X6146 27.242 26.419 42.236 0.00 0.00 +ATOM 20527 O WAT X6147 58.602 11.773 45.603 0.00 0.00 +ATOM 20528 H1 WAT X6147 58.641 10.827 45.458 0.00 0.00 +ATOM 20529 H2 WAT X6147 58.344 11.865 46.520 0.00 0.00 +ATOM 20530 O WAT X6148 8.106 57.233 47.766 0.00 0.00 +ATOM 20531 H1 WAT X6148 8.907 56.746 47.569 0.00 0.00 +ATOM 20532 H2 WAT X6148 7.420 56.566 47.789 0.00 0.00 +ATOM 20533 O WAT X6149 7.554 20.982 29.199 0.00 0.00 +ATOM 20534 H1 WAT X6149 7.646 20.469 30.002 0.00 0.00 +ATOM 20535 H2 WAT X6149 6.878 20.524 28.698 0.00 0.00 +ATOM 20536 O WAT X6150 24.531 4.363 26.125 0.00 0.00 +ATOM 20537 H1 WAT X6150 24.462 5.314 26.051 0.00 0.00 +ATOM 20538 H2 WAT X6150 24.213 4.167 27.007 0.00 0.00 +ATOM 20539 O WAT X6151 66.682 42.791 26.586 0.00 0.00 +ATOM 20540 H1 WAT X6151 67.493 42.648 27.074 0.00 0.00 +ATOM 20541 H2 WAT X6151 66.193 43.422 27.115 0.00 0.00 +ATOM 20542 O WAT X6152 70.526 4.003 6.905 0.00 0.00 +ATOM 20543 H1 WAT X6152 71.239 3.365 6.886 0.00 0.00 +ATOM 20544 H2 WAT X6152 69.808 3.574 6.439 0.00 0.00 +ATOM 20545 O WAT X6153 28.512 53.604 7.367 0.00 0.00 +ATOM 20546 H1 WAT X6153 29.280 53.038 7.299 0.00 0.00 +ATOM 20547 H2 WAT X6153 28.745 54.243 8.040 0.00 0.00 +ATOM 20548 O WAT X6154 4.963 56.116 0.264 0.00 0.00 +ATOM 20549 H1 WAT X6154 4.106 56.449 -0.006 0.00 0.00 +ATOM 20550 H2 WAT X6154 4.848 55.167 0.309 0.00 0.00 +ATOM 20551 O WAT X6155 11.550 19.675 52.510 0.00 0.00 +ATOM 20552 H1 WAT X6155 11.557 18.960 53.146 0.00 0.00 +ATOM 20553 H2 WAT X6155 11.785 20.451 53.020 0.00 0.00 +ATOM 20554 O WAT X6156 47.399 43.914 45.403 0.00 0.00 +ATOM 20555 H1 WAT X6156 47.242 44.778 45.783 0.00 0.00 +ATOM 20556 H2 WAT X6156 46.700 43.365 45.759 0.00 0.00 +ATOM 20557 O WAT X6157 4.300 59.662 33.784 0.00 0.00 +ATOM 20558 H1 WAT X6157 5.010 59.217 33.321 0.00 0.00 +ATOM 20559 H2 WAT X6157 3.661 59.867 33.101 0.00 0.00 +ATOM 20560 O WAT X6158 64.104 49.617 15.102 0.00 0.00 +ATOM 20561 H1 WAT X6158 64.140 50.574 15.081 0.00 0.00 +ATOM 20562 H2 WAT X6158 63.778 49.371 14.236 0.00 0.00 +ATOM 20563 O WAT X6159 55.574 35.555 20.118 0.00 0.00 +ATOM 20564 H1 WAT X6159 56.118 36.335 20.011 0.00 0.00 +ATOM 20565 H2 WAT X6159 55.463 35.217 19.230 0.00 0.00 +ATOM 20566 O WAT X6160 61.577 24.582 12.966 0.00 0.00 +ATOM 20567 H1 WAT X6160 62.262 25.077 12.517 0.00 0.00 +ATOM 20568 H2 WAT X6160 60.949 25.246 13.250 0.00 0.00 +ATOM 20569 O WAT X6161 54.336 14.613 39.307 0.00 0.00 +ATOM 20570 H1 WAT X6161 53.671 15.021 39.861 0.00 0.00 +ATOM 20571 H2 WAT X6161 53.871 13.912 38.850 0.00 0.00 +ATOM 20572 O WAT X6162 70.520 37.609 10.158 0.00 0.00 +ATOM 20573 H1 WAT X6162 70.426 38.485 9.783 0.00 0.00 +ATOM 20574 H2 WAT X6162 71.280 37.675 10.735 0.00 0.00 +ATOM 20575 O WAT X6163 19.499 37.725 1.556 0.00 0.00 +ATOM 20576 H1 WAT X6163 20.061 37.085 1.993 0.00 0.00 +ATOM 20577 H2 WAT X6163 18.945 37.200 0.978 0.00 0.00 +ATOM 20578 O WAT X6164 50.619 44.982 17.478 0.00 0.00 +ATOM 20579 H1 WAT X6164 50.306 45.822 17.140 0.00 0.00 +ATOM 20580 H2 WAT X6164 51.248 45.218 18.159 0.00 0.00 +ATOM 20581 O WAT X6165 4.108 54.435 8.099 0.00 0.00 +ATOM 20582 H1 WAT X6165 3.174 54.410 7.889 0.00 0.00 +ATOM 20583 H2 WAT X6165 4.301 55.365 8.220 0.00 0.00 +ATOM 20584 O WAT X6166 12.866 16.625 53.111 0.00 0.00 +ATOM 20585 H1 WAT X6166 12.310 16.488 53.878 0.00 0.00 +ATOM 20586 H2 WAT X6166 13.262 17.485 53.253 0.00 0.00 +ATOM 20587 O WAT X6167 15.536 31.575 9.688 0.00 0.00 +ATOM 20588 H1 WAT X6167 16.386 31.279 9.362 0.00 0.00 +ATOM 20589 H2 WAT X6167 15.686 32.480 9.961 0.00 0.00 +ATOM 20590 O WAT X6168 18.116 15.128 35.326 0.00 0.00 +ATOM 20591 H1 WAT X6168 18.595 14.424 35.765 0.00 0.00 +ATOM 20592 H2 WAT X6168 17.590 15.528 36.019 0.00 0.00 +ATOM 20593 O WAT X6169 68.007 10.965 24.596 0.00 0.00 +ATOM 20594 H1 WAT X6169 67.061 10.855 24.503 0.00 0.00 +ATOM 20595 H2 WAT X6169 68.107 11.588 25.316 0.00 0.00 +ATOM 20596 O WAT X6170 29.563 22.001 41.389 0.00 0.00 +ATOM 20597 H1 WAT X6170 29.775 21.819 40.474 0.00 0.00 +ATOM 20598 H2 WAT X6170 29.846 22.906 41.525 0.00 0.00 +ATOM 20599 O WAT X6171 3.413 9.569 46.046 0.00 0.00 +ATOM 20600 H1 WAT X6171 3.531 9.136 46.892 0.00 0.00 +ATOM 20601 H2 WAT X6171 4.303 9.724 45.731 0.00 0.00 +ATOM 20602 O WAT X6172 17.482 9.060 44.876 0.00 0.00 +ATOM 20603 H1 WAT X6172 18.017 8.284 45.042 0.00 0.00 +ATOM 20604 H2 WAT X6172 17.526 9.560 45.691 0.00 0.00 +ATOM 20605 O WAT X6173 11.424 8.402 20.224 0.00 0.00 +ATOM 20606 H1 WAT X6173 11.629 8.862 21.038 0.00 0.00 +ATOM 20607 H2 WAT X6173 10.637 8.837 19.895 0.00 0.00 +ATOM 20608 O WAT X6174 5.535 37.720 19.560 0.00 0.00 +ATOM 20609 H1 WAT X6174 5.040 37.869 18.754 0.00 0.00 +ATOM 20610 H2 WAT X6174 5.496 36.773 19.693 0.00 0.00 +ATOM 20611 O WAT X6175 59.101 16.853 2.958 0.00 0.00 +ATOM 20612 H1 WAT X6175 59.261 16.238 2.242 0.00 0.00 +ATOM 20613 H2 WAT X6175 59.439 17.689 2.635 0.00 0.00 +ATOM 20614 O WAT X6176 9.040 30.867 20.027 0.00 0.00 +ATOM 20615 H1 WAT X6176 9.197 31.636 20.575 0.00 0.00 +ATOM 20616 H2 WAT X6176 8.344 31.137 19.428 0.00 0.00 +ATOM 20617 O WAT X6177 35.851 58.801 37.297 0.00 0.00 +ATOM 20618 H1 WAT X6177 36.710 59.167 37.507 0.00 0.00 +ATOM 20619 H2 WAT X6177 35.270 59.561 37.259 0.00 0.00 +ATOM 20620 O WAT X6178 40.720 47.542 39.272 0.00 0.00 +ATOM 20621 H1 WAT X6178 41.004 47.676 40.176 0.00 0.00 +ATOM 20622 H2 WAT X6178 41.459 47.842 38.742 0.00 0.00 +ATOM 20623 O WAT X6179 55.144 56.062 25.963 0.00 0.00 +ATOM 20624 H1 WAT X6179 56.068 56.059 25.710 0.00 0.00 +ATOM 20625 H2 WAT X6179 54.691 55.665 25.219 0.00 0.00 +ATOM 20626 O WAT X6180 7.737 25.915 45.602 0.00 0.00 +ATOM 20627 H1 WAT X6180 8.556 25.709 46.052 0.00 0.00 +ATOM 20628 H2 WAT X6180 7.155 26.229 46.294 0.00 0.00 +ATOM 20629 O WAT X6181 45.658 49.583 30.416 0.00 0.00 +ATOM 20630 H1 WAT X6181 46.084 48.855 30.870 0.00 0.00 +ATOM 20631 H2 WAT X6181 45.478 49.245 29.539 0.00 0.00 +ATOM 20632 O WAT X6182 28.829 6.445 46.009 0.00 0.00 +ATOM 20633 H1 WAT X6182 29.218 5.862 45.357 0.00 0.00 +ATOM 20634 H2 WAT X6182 28.001 6.723 45.618 0.00 0.00 +ATOM 20635 O WAT X6183 44.503 36.308 48.922 0.00 0.00 +ATOM 20636 H1 WAT X6183 45.212 36.936 49.061 0.00 0.00 +ATOM 20637 H2 WAT X6183 44.598 36.039 48.008 0.00 0.00 +ATOM 20638 O WAT X6184 13.212 49.457 11.525 0.00 0.00 +ATOM 20639 H1 WAT X6184 13.429 48.646 11.065 0.00 0.00 +ATOM 20640 H2 WAT X6184 14.058 49.876 11.684 0.00 0.00 +ATOM 20641 O WAT X6185 17.693 38.906 41.592 0.00 0.00 +ATOM 20642 H1 WAT X6185 18.301 38.167 41.600 0.00 0.00 +ATOM 20643 H2 WAT X6185 16.835 38.509 41.444 0.00 0.00 +ATOM 20644 O WAT X6186 55.901 39.379 9.007 0.00 0.00 +ATOM 20645 H1 WAT X6186 56.390 38.723 9.504 0.00 0.00 +ATOM 20646 H2 WAT X6186 56.016 40.190 9.503 0.00 0.00 +ATOM 20647 O WAT X6187 54.697 1.957 23.676 0.00 0.00 +ATOM 20648 H1 WAT X6187 53.773 1.709 23.654 0.00 0.00 +ATOM 20649 H2 WAT X6187 55.080 1.525 22.913 0.00 0.00 +ATOM 20650 O WAT X6188 65.465 43.566 22.410 0.00 0.00 +ATOM 20651 H1 WAT X6188 65.938 43.983 21.690 0.00 0.00 +ATOM 20652 H2 WAT X6188 65.998 43.747 23.184 0.00 0.00 +ATOM 20653 O WAT X6189 68.253 12.425 27.979 0.00 0.00 +ATOM 20654 H1 WAT X6189 67.965 11.516 27.903 0.00 0.00 +ATOM 20655 H2 WAT X6189 68.888 12.416 28.695 0.00 0.00 +ATOM 20656 O WAT X6190 63.410 5.965 45.730 0.00 0.00 +ATOM 20657 H1 WAT X6190 63.716 5.400 45.020 0.00 0.00 +ATOM 20658 H2 WAT X6190 63.118 5.358 46.410 0.00 0.00 +ATOM 20659 O WAT X6191 0.613 41.579 22.509 0.00 0.00 +ATOM 20660 H1 WAT X6191 1.135 41.073 23.132 0.00 0.00 +ATOM 20661 H2 WAT X6191 0.043 42.119 23.057 0.00 0.00 +ATOM 20662 O WAT X6192 60.379 40.861 41.376 0.00 0.00 +ATOM 20663 H1 WAT X6192 59.575 41.013 41.874 0.00 0.00 +ATOM 20664 H2 WAT X6192 60.983 40.473 42.009 0.00 0.00 +ATOM 20665 O WAT X6193 41.595 49.512 17.132 0.00 0.00 +ATOM 20666 H1 WAT X6193 42.443 49.826 17.444 0.00 0.00 +ATOM 20667 H2 WAT X6193 41.033 50.287 17.143 0.00 0.00 +ATOM 20668 O WAT X6194 13.216 59.910 14.964 0.00 0.00 +ATOM 20669 H1 WAT X6194 12.716 59.709 14.173 0.00 0.00 +ATOM 20670 H2 WAT X6194 14.013 60.330 14.643 0.00 0.00 +ATOM 20671 O WAT X6195 20.668 2.168 7.230 0.00 0.00 +ATOM 20672 H1 WAT X6195 21.283 1.435 7.248 0.00 0.00 +ATOM 20673 H2 WAT X6195 19.816 1.770 7.408 0.00 0.00 +ATOM 20674 O WAT X6196 6.577 7.505 21.178 0.00 0.00 +ATOM 20675 H1 WAT X6196 5.659 7.761 21.085 0.00 0.00 +ATOM 20676 H2 WAT X6196 6.558 6.548 21.195 0.00 0.00 +ATOM 20677 O WAT X6197 18.675 14.195 8.613 0.00 0.00 +ATOM 20678 H1 WAT X6197 19.208 14.979 8.481 0.00 0.00 +ATOM 20679 H2 WAT X6197 19.065 13.540 8.034 0.00 0.00 +ATOM 20680 O WAT X6198 29.133 16.346 31.343 0.00 0.00 +ATOM 20681 H1 WAT X6198 28.307 16.370 30.861 0.00 0.00 +ATOM 20682 H2 WAT X6198 29.243 15.425 31.583 0.00 0.00 +ATOM 20683 O WAT X6199 7.515 42.057 6.377 0.00 0.00 +ATOM 20684 H1 WAT X6199 7.364 42.315 7.287 0.00 0.00 +ATOM 20685 H2 WAT X6199 7.332 42.849 5.871 0.00 0.00 +ATOM 20686 O WAT X6200 22.978 50.745 34.178 0.00 0.00 +ATOM 20687 H1 WAT X6200 23.526 50.659 33.398 0.00 0.00 +ATOM 20688 H2 WAT X6200 22.415 51.497 33.994 0.00 0.00 +ATOM 20689 O WAT X6201 71.221 17.617 39.648 0.00 0.00 +ATOM 20690 H1 WAT X6201 70.715 17.082 40.260 0.00 0.00 +ATOM 20691 H2 WAT X6201 72.038 17.802 40.112 0.00 0.00 +ATOM 20692 O WAT X6202 2.106 50.446 8.095 0.00 0.00 +ATOM 20693 H1 WAT X6202 2.345 51.228 8.594 0.00 0.00 +ATOM 20694 H2 WAT X6202 2.321 49.717 8.676 0.00 0.00 +ATOM 20695 O WAT X6203 7.646 60.896 25.769 0.00 0.00 +ATOM 20696 H1 WAT X6203 7.811 60.944 24.827 0.00 0.00 +ATOM 20697 H2 WAT X6203 8.489 61.104 26.171 0.00 0.00 +ATOM 20698 O WAT X6204 6.743 16.009 50.001 0.00 0.00 +ATOM 20699 H1 WAT X6204 6.754 16.386 50.881 0.00 0.00 +ATOM 20700 H2 WAT X6204 7.442 15.355 50.012 0.00 0.00 +ATOM 20701 O WAT X6205 8.937 2.071 31.212 0.00 0.00 +ATOM 20702 H1 WAT X6205 9.473 1.506 30.655 0.00 0.00 +ATOM 20703 H2 WAT X6205 8.072 1.662 31.206 0.00 0.00 +ATOM 20704 O WAT X6206 30.035 -0.151 27.699 0.00 0.00 +ATOM 20705 H1 WAT X6206 29.900 0.795 27.753 0.00 0.00 +ATOM 20706 H2 WAT X6206 30.959 -0.248 27.467 0.00 0.00 +ATOM 20707 O WAT X6207 0.945 61.714 43.274 0.00 0.00 +ATOM 20708 H1 WAT X6207 1.449 61.775 42.463 0.00 0.00 +ATOM 20709 H2 WAT X6207 1.347 60.989 43.753 0.00 0.00 +ATOM 20710 O WAT X6208 28.117 13.731 16.428 0.00 0.00 +ATOM 20711 H1 WAT X6208 27.890 14.215 15.633 0.00 0.00 +ATOM 20712 H2 WAT X6208 29.057 13.565 16.347 0.00 0.00 +ATOM 20713 O WAT X6209 47.847 54.524 21.858 0.00 0.00 +ATOM 20714 H1 WAT X6209 48.527 55.172 21.672 0.00 0.00 +ATOM 20715 H2 WAT X6209 47.864 54.426 22.810 0.00 0.00 +ATOM 20716 O WAT X6210 57.181 4.643 13.509 0.00 0.00 +ATOM 20717 H1 WAT X6210 57.924 4.403 14.063 0.00 0.00 +ATOM 20718 H2 WAT X6210 57.180 3.985 12.813 0.00 0.00 +ATOM 20719 O WAT X6211 29.987 11.644 19.517 0.00 0.00 +ATOM 20720 H1 WAT X6211 29.229 11.511 18.947 0.00 0.00 +ATOM 20721 H2 WAT X6211 30.737 11.378 18.984 0.00 0.00 +ATOM 20722 O WAT X6212 50.687 15.991 22.209 0.00 0.00 +ATOM 20723 H1 WAT X6212 50.269 16.076 23.066 0.00 0.00 +ATOM 20724 H2 WAT X6212 51.170 15.166 22.258 0.00 0.00 +ATOM 20725 O WAT X6213 4.219 41.133 20.312 0.00 0.00 +ATOM 20726 H1 WAT X6213 3.815 40.438 20.832 0.00 0.00 +ATOM 20727 H2 WAT X6213 4.872 40.682 19.776 0.00 0.00 +ATOM 20728 O WAT X6214 29.716 31.607 4.915 0.00 0.00 +ATOM 20729 H1 WAT X6214 30.667 31.682 4.839 0.00 0.00 +ATOM 20730 H2 WAT X6214 29.378 32.032 4.126 0.00 0.00 +ATOM 20731 O WAT X6215 28.905 0.636 47.741 0.00 0.00 +ATOM 20732 H1 WAT X6215 29.353 -0.142 47.410 0.00 0.00 +ATOM 20733 H2 WAT X6215 28.410 0.323 48.498 0.00 0.00 +ATOM 20734 O WAT X6216 0.062 18.314 40.500 0.00 0.00 +ATOM 20735 H1 WAT X6216 0.896 18.465 40.946 0.00 0.00 +ATOM 20736 H2 WAT X6216 0.281 17.730 39.774 0.00 0.00 +ATOM 20737 O WAT X6217 66.179 54.866 49.308 0.00 0.00 +ATOM 20738 H1 WAT X6217 67.016 54.521 49.618 0.00 0.00 +ATOM 20739 H2 WAT X6217 66.295 55.816 49.308 0.00 0.00 +ATOM 20740 O WAT X6218 7.931 9.362 31.654 0.00 0.00 +ATOM 20741 H1 WAT X6218 7.705 9.441 30.727 0.00 0.00 +ATOM 20742 H2 WAT X6218 7.499 10.108 32.070 0.00 0.00 +ATOM 20743 O WAT X6219 0.340 39.685 15.281 0.00 0.00 +ATOM 20744 H1 WAT X6219 0.005 40.575 15.389 0.00 0.00 +ATOM 20745 H2 WAT X6219 -0.300 39.131 15.728 0.00 0.00 +ATOM 20746 O WAT X6220 74.599 8.680 24.109 0.00 0.00 +ATOM 20747 H1 WAT X6220 75.014 8.011 24.654 0.00 0.00 +ATOM 20748 H2 WAT X6220 74.517 9.441 24.684 0.00 0.00 +ATOM 20749 O WAT X6221 67.193 31.613 20.832 0.00 0.00 +ATOM 20750 H1 WAT X6221 67.378 31.216 21.684 0.00 0.00 +ATOM 20751 H2 WAT X6221 66.832 32.474 21.042 0.00 0.00 +ATOM 20752 O WAT X6222 6.529 46.444 1.947 0.00 0.00 +ATOM 20753 H1 WAT X6222 7.131 46.028 2.564 0.00 0.00 +ATOM 20754 H2 WAT X6222 5.976 45.729 1.633 0.00 0.00 +ATOM 20755 O WAT X6223 10.112 18.070 30.217 0.00 0.00 +ATOM 20756 H1 WAT X6223 10.046 18.106 29.263 0.00 0.00 +ATOM 20757 H2 WAT X6223 10.962 17.664 30.383 0.00 0.00 +ATOM 20758 O WAT X6224 2.530 43.327 57.811 0.00 0.00 +ATOM 20759 H1 WAT X6224 1.608 43.584 57.813 0.00 0.00 +ATOM 20760 H2 WAT X6224 2.982 44.060 57.393 0.00 0.00 +ATOM 20761 O WAT X6225 76.332 22.614 50.019 0.00 0.00 +ATOM 20762 H1 WAT X6225 75.913 21.768 50.176 0.00 0.00 +ATOM 20763 H2 WAT X6225 77.167 22.395 49.605 0.00 0.00 +ATOM 20764 O WAT X6226 42.535 38.301 38.023 0.00 0.00 +ATOM 20765 H1 WAT X6226 42.870 39.187 38.162 0.00 0.00 +ATOM 20766 H2 WAT X6226 42.592 37.885 38.883 0.00 0.00 +ATOM 20767 O WAT X6227 48.503 45.447 29.532 0.00 0.00 +ATOM 20768 H1 WAT X6227 49.457 45.370 29.528 0.00 0.00 +ATOM 20769 H2 WAT X6227 48.213 44.877 28.820 0.00 0.00 +ATOM 20770 O WAT X6228 53.247 36.014 45.110 0.00 0.00 +ATOM 20771 H1 WAT X6228 53.614 36.537 45.822 0.00 0.00 +ATOM 20772 H2 WAT X6228 53.982 35.867 44.515 0.00 0.00 +ATOM 20773 O WAT X6229 38.356 7.183 58.099 0.00 0.00 +ATOM 20774 H1 WAT X6229 39.099 6.601 57.943 0.00 0.00 +ATOM 20775 H2 WAT X6229 38.672 8.050 57.844 0.00 0.00 +ATOM 20776 O WAT X6230 4.953 8.354 34.737 0.00 0.00 +ATOM 20777 H1 WAT X6230 5.702 8.872 35.035 0.00 0.00 +ATOM 20778 H2 WAT X6230 4.853 8.587 33.814 0.00 0.00 +ATOM 20779 O WAT X6231 69.576 43.861 8.964 0.00 0.00 +ATOM 20780 H1 WAT X6231 69.623 43.570 8.053 0.00 0.00 +ATOM 20781 H2 WAT X6231 68.850 44.484 8.979 0.00 0.00 +ATOM 20782 O WAT X6232 8.142 4.515 51.082 0.00 0.00 +ATOM 20783 H1 WAT X6232 8.659 4.374 51.876 0.00 0.00 +ATOM 20784 H2 WAT X6232 7.793 5.401 51.178 0.00 0.00 +ATOM 20785 O WAT X6233 18.191 57.691 57.421 0.00 0.00 +ATOM 20786 H1 WAT X6233 18.537 57.735 56.530 0.00 0.00 +ATOM 20787 H2 WAT X6233 17.252 57.847 57.322 0.00 0.00 +ATOM 20788 O WAT X6234 76.977 17.379 27.363 0.00 0.00 +ATOM 20789 H1 WAT X6234 76.484 17.498 26.551 0.00 0.00 +ATOM 20790 H2 WAT X6234 76.415 16.825 27.904 0.00 0.00 +ATOM 20791 O WAT X6235 71.125 41.947 50.010 0.00 0.00 +ATOM 20792 H1 WAT X6235 71.839 41.385 50.311 0.00 0.00 +ATOM 20793 H2 WAT X6235 71.553 42.768 49.766 0.00 0.00 +ATOM 20794 O WAT X6236 15.101 9.367 28.888 0.00 0.00 +ATOM 20795 H1 WAT X6236 15.808 8.909 28.433 0.00 0.00 +ATOM 20796 H2 WAT X6236 14.300 8.978 28.538 0.00 0.00 +ATOM 20797 O WAT X6237 66.193 4.003 56.430 0.00 0.00 +ATOM 20798 H1 WAT X6237 66.549 4.780 56.001 0.00 0.00 +ATOM 20799 H2 WAT X6237 65.359 4.293 56.799 0.00 0.00 +ATOM 20800 O WAT X6238 46.665 14.572 5.369 0.00 0.00 +ATOM 20801 H1 WAT X6238 46.722 14.547 6.324 0.00 0.00 +ATOM 20802 H2 WAT X6238 47.310 13.929 5.073 0.00 0.00 +ATOM 20803 O WAT X6239 41.837 51.677 57.134 0.00 0.00 +ATOM 20804 H1 WAT X6239 42.440 52.329 56.776 0.00 0.00 +ATOM 20805 H2 WAT X6239 40.985 52.113 57.133 0.00 0.00 +ATOM 20806 O WAT X6240 50.374 10.294 18.157 0.00 0.00 +ATOM 20807 H1 WAT X6240 51.240 9.888 18.179 0.00 0.00 +ATOM 20808 H2 WAT X6240 50.374 10.816 17.355 0.00 0.00 +ATOM 20809 O WAT X6241 74.392 56.442 31.978 0.00 0.00 +ATOM 20810 H1 WAT X6241 73.931 57.188 31.593 0.00 0.00 +ATOM 20811 H2 WAT X6241 73.731 56.001 32.512 0.00 0.00 +ATOM 20812 O WAT X6242 21.620 24.261 2.831 0.00 0.00 +ATOM 20813 H1 WAT X6242 22.335 24.349 3.462 0.00 0.00 +ATOM 20814 H2 WAT X6242 21.978 24.608 2.014 0.00 0.00 +ATOM 20815 O WAT X6243 17.139 60.671 37.112 0.00 0.00 +ATOM 20816 H1 WAT X6243 17.523 60.714 36.237 0.00 0.00 +ATOM 20817 H2 WAT X6243 16.464 61.350 37.111 0.00 0.00 +ATOM 20818 O WAT X6244 3.463 37.715 30.410 0.00 0.00 +ATOM 20819 H1 WAT X6244 3.738 38.133 31.226 0.00 0.00 +ATOM 20820 H2 WAT X6244 2.945 36.960 30.689 0.00 0.00 +ATOM 20821 O WAT X6245 20.848 57.126 31.065 0.00 0.00 +ATOM 20822 H1 WAT X6245 20.686 56.190 30.954 0.00 0.00 +ATOM 20823 H2 WAT X6245 21.786 57.228 30.899 0.00 0.00 +ATOM 20824 O WAT X6246 19.741 32.815 2.985 0.00 0.00 +ATOM 20825 H1 WAT X6246 19.355 32.859 3.859 0.00 0.00 +ATOM 20826 H2 WAT X6246 19.341 33.543 2.509 0.00 0.00 +ATOM 20827 O WAT X6247 5.387 1.760 57.350 0.00 0.00 +ATOM 20828 H1 WAT X6247 5.676 2.619 57.041 0.00 0.00 +ATOM 20829 H2 WAT X6247 4.467 1.885 57.581 0.00 0.00 +ATOM 20830 O WAT X6248 20.693 18.052 20.903 0.00 0.00 +ATOM 20831 H1 WAT X6248 20.661 18.426 20.023 0.00 0.00 +ATOM 20832 H2 WAT X6248 21.437 17.450 20.881 0.00 0.00 +ATOM 20833 O WAT X6249 5.662 54.712 10.946 0.00 0.00 +ATOM 20834 H1 WAT X6249 6.313 55.016 11.578 0.00 0.00 +ATOM 20835 H2 WAT X6249 5.848 55.212 10.151 0.00 0.00 +ATOM 20836 O WAT X6250 26.162 62.413 37.831 0.00 0.00 +ATOM 20837 H1 WAT X6250 26.136 62.766 38.721 0.00 0.00 +ATOM 20838 H2 WAT X6250 26.002 63.170 37.268 0.00 0.00 +ATOM 20839 O WAT X6251 43.887 56.833 13.094 0.00 0.00 +ATOM 20840 H1 WAT X6251 43.782 57.021 12.161 0.00 0.00 +ATOM 20841 H2 WAT X6251 44.081 57.684 13.489 0.00 0.00 +ATOM 20842 O WAT X6252 28.294 57.442 3.560 0.00 0.00 +ATOM 20843 H1 WAT X6252 28.080 58.322 3.249 0.00 0.00 +ATOM 20844 H2 WAT X6252 29.201 57.509 3.860 0.00 0.00 +ATOM 20845 O WAT X6253 52.918 44.211 2.257 0.00 0.00 +ATOM 20846 H1 WAT X6253 52.184 43.889 1.735 0.00 0.00 +ATOM 20847 H2 WAT X6253 52.849 45.164 2.205 0.00 0.00 +ATOM 20848 O WAT X6254 35.083 5.537 26.792 0.00 0.00 +ATOM 20849 H1 WAT X6254 35.534 6.354 26.577 0.00 0.00 +ATOM 20850 H2 WAT X6254 34.187 5.670 26.484 0.00 0.00 +ATOM 20851 O WAT X6255 7.235 31.124 41.778 0.00 0.00 +ATOM 20852 H1 WAT X6255 6.442 30.708 41.441 0.00 0.00 +ATOM 20853 H2 WAT X6255 6.933 31.957 42.141 0.00 0.00 +ATOM 20854 O WAT X6256 38.298 29.409 0.226 0.00 0.00 +ATOM 20855 H1 WAT X6256 39.078 28.918 -0.034 0.00 0.00 +ATOM 20856 H2 WAT X6256 37.743 28.763 0.663 0.00 0.00 +ATOM 20857 O WAT X6257 1.890 49.329 3.505 0.00 0.00 +ATOM 20858 H1 WAT X6257 2.700 48.986 3.130 0.00 0.00 +ATOM 20859 H2 WAT X6257 1.283 49.373 2.766 0.00 0.00 +ATOM 20860 O WAT X6258 36.787 17.194 5.378 0.00 0.00 +ATOM 20861 H1 WAT X6258 37.627 16.796 5.608 0.00 0.00 +ATOM 20862 H2 WAT X6258 36.749 17.992 5.904 0.00 0.00 +ATOM 20863 O WAT X6259 33.385 52.143 57.089 0.00 0.00 +ATOM 20864 H1 WAT X6259 32.920 51.425 57.518 0.00 0.00 +ATOM 20865 H2 WAT X6259 33.652 51.785 56.243 0.00 0.00 +ATOM 20866 O WAT X6260 67.851 21.037 30.764 0.00 0.00 +ATOM 20867 H1 WAT X6260 68.170 20.977 29.863 0.00 0.00 +ATOM 20868 H2 WAT X6260 68.435 21.669 31.183 0.00 0.00 +ATOM 20869 O WAT X6261 37.347 60.099 21.020 0.00 0.00 +ATOM 20870 H1 WAT X6261 37.736 60.563 20.279 0.00 0.00 +ATOM 20871 H2 WAT X6261 36.421 60.336 20.992 0.00 0.00 +ATOM 20872 O WAT X6262 22.843 59.137 57.136 0.00 0.00 +ATOM 20873 H1 WAT X6262 22.323 58.365 56.915 0.00 0.00 +ATOM 20874 H2 WAT X6262 22.917 59.111 58.090 0.00 0.00 +ATOM 20875 O WAT X6263 31.685 47.811 37.302 0.00 0.00 +ATOM 20876 H1 WAT X6263 31.455 47.526 38.186 0.00 0.00 +ATOM 20877 H2 WAT X6263 32.002 47.018 36.869 0.00 0.00 +ATOM 20878 O WAT X6264 34.384 33.124 51.794 0.00 0.00 +ATOM 20879 H1 WAT X6264 35.173 32.743 52.178 0.00 0.00 +ATOM 20880 H2 WAT X6264 33.676 32.842 52.373 0.00 0.00 +ATOM 20881 O WAT X6265 31.724 44.235 54.588 0.00 0.00 +ATOM 20882 H1 WAT X6265 32.427 44.202 55.236 0.00 0.00 +ATOM 20883 H2 WAT X6265 31.003 44.675 55.038 0.00 0.00 +ATOM 20884 O WAT X6266 8.663 3.874 38.930 0.00 0.00 +ATOM 20885 H1 WAT X6266 9.204 4.650 39.073 0.00 0.00 +ATOM 20886 H2 WAT X6266 7.884 4.203 38.483 0.00 0.00 +ATOM 20887 O WAT X6267 44.049 58.510 31.707 0.00 0.00 +ATOM 20888 H1 WAT X6267 43.682 58.479 30.823 0.00 0.00 +ATOM 20889 H2 WAT X6267 44.989 58.631 31.571 0.00 0.00 +ATOM 20890 O WAT X6268 28.137 42.200 39.727 0.00 0.00 +ATOM 20891 H1 WAT X6268 27.313 42.102 40.203 0.00 0.00 +ATOM 20892 H2 WAT X6268 28.669 42.768 40.283 0.00 0.00 +ATOM 20893 O WAT X6269 3.086 58.563 55.215 0.00 0.00 +ATOM 20894 H1 WAT X6269 3.178 57.720 54.771 0.00 0.00 +ATOM 20895 H2 WAT X6269 2.746 58.341 56.082 0.00 0.00 +ATOM 20896 O WAT X6270 63.462 19.412 18.947 0.00 0.00 +ATOM 20897 H1 WAT X6270 63.178 19.384 18.033 0.00 0.00 +ATOM 20898 H2 WAT X6270 62.817 19.971 19.380 0.00 0.00 +ATOM 20899 O WAT X6271 26.108 6.156 54.300 0.00 0.00 +ATOM 20900 H1 WAT X6271 25.750 5.890 53.453 0.00 0.00 +ATOM 20901 H2 WAT X6271 25.340 6.284 54.856 0.00 0.00 +ATOM 20902 O WAT X6272 49.328 52.270 48.327 0.00 0.00 +ATOM 20903 H1 WAT X6272 50.025 52.354 48.978 0.00 0.00 +ATOM 20904 H2 WAT X6272 48.522 52.438 48.815 0.00 0.00 +ATOM 20905 O WAT X6273 49.422 58.827 35.882 0.00 0.00 +ATOM 20906 H1 WAT X6273 48.726 59.004 36.515 0.00 0.00 +ATOM 20907 H2 WAT X6273 49.375 57.883 35.732 0.00 0.00 +ATOM 20908 O WAT X6274 53.825 4.215 10.931 0.00 0.00 +ATOM 20909 H1 WAT X6274 54.217 4.132 11.801 0.00 0.00 +ATOM 20910 H2 WAT X6274 53.720 5.158 10.804 0.00 0.00 +ATOM 20911 O WAT X6275 18.614 44.974 27.082 0.00 0.00 +ATOM 20912 H1 WAT X6275 19.212 45.712 27.197 0.00 0.00 +ATOM 20913 H2 WAT X6275 17.789 45.374 26.807 0.00 0.00 +ATOM 20914 O WAT X6276 17.629 34.848 22.735 0.00 0.00 +ATOM 20915 H1 WAT X6276 18.128 35.317 22.067 0.00 0.00 +ATOM 20916 H2 WAT X6276 18.209 34.139 23.014 0.00 0.00 +ATOM 20917 O WAT X6277 35.598 2.149 31.706 0.00 0.00 +ATOM 20918 H1 WAT X6277 34.800 1.975 31.208 0.00 0.00 +ATOM 20919 H2 WAT X6277 35.319 2.737 32.408 0.00 0.00 +ATOM 20920 O WAT X6278 3.515 50.405 49.399 0.00 0.00 +ATOM 20921 H1 WAT X6278 2.895 50.984 49.843 0.00 0.00 +ATOM 20922 H2 WAT X6278 4.010 50.984 48.819 0.00 0.00 +ATOM 20923 O WAT X6279 66.634 18.980 26.241 0.00 0.00 +ATOM 20924 H1 WAT X6279 66.350 18.146 26.614 0.00 0.00 +ATOM 20925 H2 WAT X6279 65.832 19.498 26.173 0.00 0.00 +ATOM 20926 O WAT X6280 23.975 13.588 31.131 0.00 0.00 +ATOM 20927 H1 WAT X6280 23.659 14.438 30.825 0.00 0.00 +ATOM 20928 H2 WAT X6280 23.303 13.290 31.745 0.00 0.00 +ATOM 20929 O WAT X6281 14.876 26.580 8.522 0.00 0.00 +ATOM 20930 H1 WAT X6281 14.423 26.257 7.743 0.00 0.00 +ATOM 20931 H2 WAT X6281 15.797 26.614 8.266 0.00 0.00 +ATOM 20932 O WAT X6282 77.165 4.229 50.973 0.00 0.00 +ATOM 20933 H1 WAT X6282 77.604 4.629 50.222 0.00 0.00 +ATOM 20934 H2 WAT X6282 76.411 4.794 51.139 0.00 0.00 +ATOM 20935 O WAT X6283 5.842 51.392 25.886 0.00 0.00 +ATOM 20936 H1 WAT X6283 5.894 51.947 25.108 0.00 0.00 +ATOM 20937 H2 WAT X6283 5.278 50.665 25.625 0.00 0.00 +ATOM 20938 O WAT X6284 68.703 1.570 14.262 0.00 0.00 +ATOM 20939 H1 WAT X6284 67.904 1.256 14.684 0.00 0.00 +ATOM 20940 H2 WAT X6284 68.486 1.601 13.331 0.00 0.00 +ATOM 20941 O WAT X6285 53.536 8.848 19.528 0.00 0.00 +ATOM 20942 H1 WAT X6285 54.126 9.595 19.426 0.00 0.00 +ATOM 20943 H2 WAT X6285 53.617 8.364 18.706 0.00 0.00 +ATOM 20944 O WAT X6286 12.332 22.340 11.809 0.00 0.00 +ATOM 20945 H1 WAT X6286 12.984 23.034 11.707 0.00 0.00 +ATOM 20946 H2 WAT X6286 12.640 21.831 12.559 0.00 0.00 +ATOM 20947 O WAT X6287 11.274 12.501 35.057 0.00 0.00 +ATOM 20948 H1 WAT X6287 10.350 12.693 34.896 0.00 0.00 +ATOM 20949 H2 WAT X6287 11.455 11.728 34.522 0.00 0.00 +ATOM 20950 O WAT X6288 7.783 11.431 50.591 0.00 0.00 +ATOM 20951 H1 WAT X6288 8.209 10.604 50.365 0.00 0.00 +ATOM 20952 H2 WAT X6288 8.430 11.897 51.121 0.00 0.00 +ATOM 20953 O WAT X6289 59.676 40.993 49.502 0.00 0.00 +ATOM 20954 H1 WAT X6289 58.801 41.022 49.888 0.00 0.00 +ATOM 20955 H2 WAT X6289 59.775 40.090 49.199 0.00 0.00 +ATOM 20956 O WAT X6290 42.973 50.658 54.363 0.00 0.00 +ATOM 20957 H1 WAT X6290 43.869 50.418 54.599 0.00 0.00 +ATOM 20958 H2 WAT X6290 42.423 50.074 54.886 0.00 0.00 +ATOM 20959 O WAT X6291 0.802 21.105 2.309 0.00 0.00 +ATOM 20960 H1 WAT X6291 0.961 20.228 1.961 0.00 0.00 +ATOM 20961 H2 WAT X6291 0.745 20.981 3.256 0.00 0.00 +ATOM 20962 O WAT X6292 6.421 22.822 10.799 0.00 0.00 +ATOM 20963 H1 WAT X6292 5.542 23.152 10.611 0.00 0.00 +ATOM 20964 H2 WAT X6292 6.998 23.568 10.630 0.00 0.00 +ATOM 20965 O WAT X6293 33.321 1.874 30.315 0.00 0.00 +ATOM 20966 H1 WAT X6293 32.519 2.380 30.445 0.00 0.00 +ATOM 20967 H2 WAT X6293 33.746 2.288 29.563 0.00 0.00 +ATOM 20968 O WAT X6294 35.851 31.929 10.009 0.00 0.00 +ATOM 20969 H1 WAT X6294 36.098 31.781 9.096 0.00 0.00 +ATOM 20970 H2 WAT X6294 36.674 32.148 10.447 0.00 0.00 +ATOM 20971 O WAT X6295 36.282 18.176 2.685 0.00 0.00 +ATOM 20972 H1 WAT X6295 37.021 18.660 2.316 0.00 0.00 +ATOM 20973 H2 WAT X6295 36.578 17.915 3.558 0.00 0.00 +ATOM 20974 O WAT X6296 53.434 4.362 37.087 0.00 0.00 +ATOM 20975 H1 WAT X6296 53.939 3.734 37.603 0.00 0.00 +ATOM 20976 H2 WAT X6296 52.523 4.198 37.334 0.00 0.00 +ATOM 20977 O WAT X6297 77.496 60.925 54.917 0.00 0.00 +ATOM 20978 H1 WAT X6297 77.513 60.077 55.359 0.00 0.00 +ATOM 20979 H2 WAT X6297 78.148 60.846 54.220 0.00 0.00 +ATOM 20980 O WAT X6298 1.776 52.647 50.325 0.00 0.00 +ATOM 20981 H1 WAT X6298 2.557 52.959 50.781 0.00 0.00 +ATOM 20982 H2 WAT X6298 1.201 53.411 50.285 0.00 0.00 +ATOM 20983 O WAT X6299 48.812 9.421 42.774 0.00 0.00 +ATOM 20984 H1 WAT X6299 49.269 8.622 43.037 0.00 0.00 +ATOM 20985 H2 WAT X6299 47.899 9.153 42.673 0.00 0.00 +ATOM 20986 O WAT X6300 18.852 40.307 36.330 0.00 0.00 +ATOM 20987 H1 WAT X6300 18.846 40.091 37.263 0.00 0.00 +ATOM 20988 H2 WAT X6300 17.939 40.506 36.125 0.00 0.00 +ATOM 20989 O WAT X6301 21.948 42.052 51.590 0.00 0.00 +ATOM 20990 H1 WAT X6301 22.305 42.677 52.222 0.00 0.00 +ATOM 20991 H2 WAT X6301 21.012 42.247 51.562 0.00 0.00 +ATOM 20992 O WAT X6302 56.157 61.461 4.770 0.00 0.00 +ATOM 20993 H1 WAT X6302 57.011 61.609 4.364 0.00 0.00 +ATOM 20994 H2 WAT X6302 56.361 61.079 5.624 0.00 0.00 +ATOM 20995 O WAT X6303 47.843 0.266 6.516 0.00 0.00 +ATOM 20996 H1 WAT X6303 48.233 -0.013 7.345 0.00 0.00 +ATOM 20997 H2 WAT X6303 48.574 0.274 5.898 0.00 0.00 +ATOM 20998 O WAT X6304 77.501 8.637 53.727 0.00 0.00 +ATOM 20999 H1 WAT X6304 77.319 7.887 54.294 0.00 0.00 +ATOM 21000 H2 WAT X6304 76.968 9.345 54.089 0.00 0.00 +ATOM 21001 O WAT X6305 2.475 13.171 4.173 0.00 0.00 +ATOM 21002 H1 WAT X6305 2.076 12.302 4.231 0.00 0.00 +ATOM 21003 H2 WAT X6305 2.083 13.664 4.893 0.00 0.00 +ATOM 21004 O WAT X6306 4.319 60.776 54.841 0.00 0.00 +ATOM 21005 H1 WAT X6306 3.961 61.580 55.218 0.00 0.00 +ATOM 21006 H2 WAT X6306 3.764 60.079 55.191 0.00 0.00 +ATOM 21007 O WAT X6307 75.370 18.408 38.558 0.00 0.00 +ATOM 21008 H1 WAT X6307 75.861 18.474 39.377 0.00 0.00 +ATOM 21009 H2 WAT X6307 75.541 19.237 38.109 0.00 0.00 +ATOM 21010 O WAT X6308 5.834 52.154 12.104 0.00 0.00 +ATOM 21011 H1 WAT X6308 6.045 51.483 11.455 0.00 0.00 +ATOM 21012 H2 WAT X6308 5.901 52.980 11.625 0.00 0.00 +ATOM 21013 O WAT X6309 6.254 12.074 41.728 0.00 0.00 +ATOM 21014 H1 WAT X6309 6.414 12.375 42.622 0.00 0.00 +ATOM 21015 H2 WAT X6309 6.918 11.400 41.580 0.00 0.00 +ATOM 21016 O WAT X6310 51.398 57.572 18.968 0.00 0.00 +ATOM 21017 H1 WAT X6310 50.562 57.200 19.249 0.00 0.00 +ATOM 21018 H2 WAT X6310 51.609 57.104 18.160 0.00 0.00 +ATOM 21019 O WAT X6311 7.999 16.188 31.060 0.00 0.00 +ATOM 21020 H1 WAT X6311 8.610 16.797 30.644 0.00 0.00 +ATOM 21021 H2 WAT X6311 8.476 15.850 31.818 0.00 0.00 +ATOM 21022 O WAT X6312 29.280 5.232 36.630 0.00 0.00 +ATOM 21023 H1 WAT X6312 28.753 5.742 37.246 0.00 0.00 +ATOM 21024 H2 WAT X6312 30.158 5.606 36.700 0.00 0.00 +ATOM 21025 O WAT X6313 59.428 62.440 55.639 0.00 0.00 +ATOM 21026 H1 WAT X6313 58.556 62.614 55.994 0.00 0.00 +ATOM 21027 H2 WAT X6313 60.007 63.021 56.133 0.00 0.00 +ATOM 21028 O WAT X6314 -0.170 23.156 56.223 0.00 0.00 +ATOM 21029 H1 WAT X6314 0.311 22.577 55.632 0.00 0.00 +ATOM 21030 H2 WAT X6314 0.356 23.955 56.258 0.00 0.00 +ATOM 21031 O WAT X6315 28.067 3.547 48.114 0.00 0.00 +ATOM 21032 H1 WAT X6315 27.634 3.949 47.361 0.00 0.00 +ATOM 21033 H2 WAT X6315 27.755 2.642 48.115 0.00 0.00 +ATOM 21034 O WAT X6316 64.186 11.282 26.796 0.00 0.00 +ATOM 21035 H1 WAT X6316 63.851 12.123 26.484 0.00 0.00 +ATOM 21036 H2 WAT X6316 64.462 11.454 27.697 0.00 0.00 +ATOM 21037 O WAT X6317 26.669 11.086 47.225 0.00 0.00 +ATOM 21038 H1 WAT X6317 26.657 10.326 46.643 0.00 0.00 +ATOM 21039 H2 WAT X6317 26.605 10.714 48.105 0.00 0.00 +ATOM 21040 O WAT X6318 8.413 29.738 43.857 0.00 0.00 +ATOM 21041 H1 WAT X6318 7.639 29.176 43.825 0.00 0.00 +ATOM 21042 H2 WAT X6318 8.150 30.535 43.398 0.00 0.00 +ATOM 21043 O WAT X6319 1.346 53.172 11.671 0.00 0.00 +ATOM 21044 H1 WAT X6319 0.677 53.841 11.528 0.00 0.00 +ATOM 21045 H2 WAT X6319 2.166 53.662 11.728 0.00 0.00 +ATOM 21046 O WAT X6320 49.746 46.904 25.971 0.00 0.00 +ATOM 21047 H1 WAT X6320 49.890 45.987 25.738 0.00 0.00 +ATOM 21048 H2 WAT X6320 50.325 47.394 25.387 0.00 0.00 +ATOM 21049 O WAT X6321 49.728 10.247 29.143 0.00 0.00 +ATOM 21050 H1 WAT X6321 49.895 10.383 30.075 0.00 0.00 +ATOM 21051 H2 WAT X6321 49.704 11.129 28.773 0.00 0.00 +ATOM 21052 O WAT X6322 72.259 39.471 7.893 0.00 0.00 +ATOM 21053 H1 WAT X6322 72.741 38.892 8.483 0.00 0.00 +ATOM 21054 H2 WAT X6322 72.410 40.349 8.243 0.00 0.00 +ATOM 21055 O WAT X6323 57.444 8.074 28.312 0.00 0.00 +ATOM 21056 H1 WAT X6323 57.146 7.244 27.940 0.00 0.00 +ATOM 21057 H2 WAT X6323 57.593 7.880 29.238 0.00 0.00 +ATOM 21058 O WAT X6324 11.931 39.672 34.208 0.00 0.00 +ATOM 21059 H1 WAT X6324 11.500 40.524 34.277 0.00 0.00 +ATOM 21060 H2 WAT X6324 11.254 39.040 34.449 0.00 0.00 +ATOM 21061 O WAT X6325 33.152 28.645 0.279 0.00 0.00 +ATOM 21062 H1 WAT X6325 32.306 29.056 0.456 0.00 0.00 +ATOM 21063 H2 WAT X6325 32.937 27.866 -0.233 0.00 0.00 +ATOM 21064 O WAT X6326 15.741 9.206 14.770 0.00 0.00 +ATOM 21065 H1 WAT X6326 15.252 10.028 14.725 0.00 0.00 +ATOM 21066 H2 WAT X6326 15.142 8.594 15.198 0.00 0.00 +ATOM 21067 O WAT X6327 40.818 49.344 56.037 0.00 0.00 +ATOM 21068 H1 WAT X6327 41.169 50.178 56.349 0.00 0.00 +ATOM 21069 H2 WAT X6327 39.897 49.528 55.851 0.00 0.00 +ATOM 21070 O WAT X6328 54.144 59.037 0.167 0.00 0.00 +ATOM 21071 H1 WAT X6328 54.014 59.552 0.963 0.00 0.00 +ATOM 21072 H2 WAT X6328 53.333 58.539 0.069 0.00 0.00 +ATOM 21073 O WAT X6329 65.022 15.069 5.782 0.00 0.00 +ATOM 21074 H1 WAT X6329 65.845 15.232 6.242 0.00 0.00 +ATOM 21075 H2 WAT X6329 64.347 15.178 6.451 0.00 0.00 +ATOM 21076 O WAT X6330 25.292 51.505 38.669 0.00 0.00 +ATOM 21077 H1 WAT X6330 24.345 51.368 38.702 0.00 0.00 +ATOM 21078 H2 WAT X6330 25.660 50.623 38.609 0.00 0.00 +ATOM 21079 O WAT X6331 38.004 8.609 49.015 0.00 0.00 +ATOM 21080 H1 WAT X6331 37.364 8.804 49.699 0.00 0.00 +ATOM 21081 H2 WAT X6331 38.377 7.765 49.269 0.00 0.00 +ATOM 21082 O WAT X6332 44.226 28.532 47.487 0.00 0.00 +ATOM 21083 H1 WAT X6332 43.906 29.327 47.061 0.00 0.00 +ATOM 21084 H2 WAT X6332 43.919 27.820 46.926 0.00 0.00 +ATOM 21085 O WAT X6333 29.306 32.347 49.003 0.00 0.00 +ATOM 21086 H1 WAT X6333 29.902 31.671 49.324 0.00 0.00 +ATOM 21087 H2 WAT X6333 28.534 32.273 49.564 0.00 0.00 +ATOM 21088 O WAT X6334 41.354 47.893 19.719 0.00 0.00 +ATOM 21089 H1 WAT X6334 40.647 48.447 19.389 0.00 0.00 +ATOM 21090 H2 WAT X6334 41.950 48.501 20.157 0.00 0.00 +ATOM 21091 O WAT X6335 75.879 20.322 31.157 0.00 0.00 +ATOM 21092 H1 WAT X6335 75.888 19.398 31.410 0.00 0.00 +ATOM 21093 H2 WAT X6335 76.603 20.408 30.538 0.00 0.00 +ATOM 21094 O WAT X6336 19.074 32.385 51.541 0.00 0.00 +ATOM 21095 H1 WAT X6336 19.391 33.168 51.092 0.00 0.00 +ATOM 21096 H2 WAT X6336 18.757 32.705 52.385 0.00 0.00 +ATOM 21097 O WAT X6337 22.922 10.800 11.410 0.00 0.00 +ATOM 21098 H1 WAT X6337 23.139 9.870 11.476 0.00 0.00 +ATOM 21099 H2 WAT X6337 21.966 10.822 11.387 0.00 0.00 +ATOM 21100 O WAT X6338 35.157 51.435 22.236 0.00 0.00 +ATOM 21101 H1 WAT X6338 35.237 51.520 23.187 0.00 0.00 +ATOM 21102 H2 WAT X6338 34.278 51.082 22.100 0.00 0.00 +ATOM 21103 O WAT X6339 32.871 51.336 44.000 0.00 0.00 +ATOM 21104 H1 WAT X6339 32.832 52.141 43.483 0.00 0.00 +ATOM 21105 H2 WAT X6339 32.088 51.367 44.550 0.00 0.00 +ATOM 21106 O WAT X6340 46.928 26.965 51.676 0.00 0.00 +ATOM 21107 H1 WAT X6340 46.619 27.870 51.716 0.00 0.00 +ATOM 21108 H2 WAT X6340 46.632 26.648 50.822 0.00 0.00 +ATOM 21109 O WAT X6341 24.049 52.336 15.732 0.00 0.00 +ATOM 21110 H1 WAT X6341 23.145 52.257 15.427 0.00 0.00 +ATOM 21111 H2 WAT X6341 24.340 53.186 15.402 0.00 0.00 +ATOM 21112 O WAT X6342 43.873 41.331 21.432 0.00 0.00 +ATOM 21113 H1 WAT X6342 44.108 42.207 21.127 0.00 0.00 +ATOM 21114 H2 WAT X6342 43.750 41.431 22.376 0.00 0.00 +ATOM 21115 O WAT X6343 18.267 18.777 32.503 0.00 0.00 +ATOM 21116 H1 WAT X6343 17.761 19.528 32.811 0.00 0.00 +ATOM 21117 H2 WAT X6343 18.689 18.434 33.291 0.00 0.00 +ATOM 21118 O WAT X6344 39.936 23.114 26.713 0.00 0.00 +ATOM 21119 H1 WAT X6344 40.386 22.269 26.691 0.00 0.00 +ATOM 21120 H2 WAT X6344 40.525 23.686 27.204 0.00 0.00 +ATOM 21121 O WAT X6345 18.157 15.076 43.425 0.00 0.00 +ATOM 21122 H1 WAT X6345 18.383 14.170 43.638 0.00 0.00 +ATOM 21123 H2 WAT X6345 18.996 15.489 43.218 0.00 0.00 +ATOM 21124 O WAT X6346 30.366 48.154 18.907 0.00 0.00 +ATOM 21125 H1 WAT X6346 30.841 48.724 18.302 0.00 0.00 +ATOM 21126 H2 WAT X6346 30.245 47.338 18.422 0.00 0.00 +ATOM 21127 O WAT X6347 53.622 25.041 58.469 0.00 0.00 +ATOM 21128 H1 WAT X6347 54.578 25.063 58.507 0.00 0.00 +ATOM 21129 H2 WAT X6347 53.419 24.231 58.001 0.00 0.00 +ATOM 21130 O WAT X6348 34.556 25.770 14.123 0.00 0.00 +ATOM 21131 H1 WAT X6348 33.779 26.207 14.470 0.00 0.00 +ATOM 21132 H2 WAT X6348 35.004 25.427 14.897 0.00 0.00 +ATOM 21133 O WAT X6349 0.899 23.881 4.382 0.00 0.00 +ATOM 21134 H1 WAT X6349 0.573 23.013 4.619 0.00 0.00 +ATOM 21135 H2 WAT X6349 0.181 24.281 3.892 0.00 0.00 +ATOM 21136 O WAT X6350 24.040 14.274 3.582 0.00 0.00 +ATOM 21137 H1 WAT X6350 23.817 15.203 3.524 0.00 0.00 +ATOM 21138 H2 WAT X6350 24.814 14.248 4.145 0.00 0.00 +ATOM 21139 O WAT X6351 15.122 28.600 6.337 0.00 0.00 +ATOM 21140 H1 WAT X6351 15.125 27.643 6.356 0.00 0.00 +ATOM 21141 H2 WAT X6351 15.466 28.859 7.191 0.00 0.00 +ATOM 21142 O WAT X6352 9.220 45.711 34.612 0.00 0.00 +ATOM 21143 H1 WAT X6352 9.151 44.855 34.189 0.00 0.00 +ATOM 21144 H2 WAT X6352 8.396 45.811 35.088 0.00 0.00 +ATOM 21145 O WAT X6353 42.670 9.490 7.209 0.00 0.00 +ATOM 21146 H1 WAT X6353 42.093 10.095 7.674 0.00 0.00 +ATOM 21147 H2 WAT X6353 43.062 10.018 6.514 0.00 0.00 +ATOM 21148 O WAT X6354 29.649 58.911 25.900 0.00 0.00 +ATOM 21149 H1 WAT X6354 28.961 59.542 25.688 0.00 0.00 +ATOM 21150 H2 WAT X6354 29.473 58.164 25.327 0.00 0.00 +ATOM 21151 O WAT X6355 71.172 61.249 9.368 0.00 0.00 +ATOM 21152 H1 WAT X6355 71.584 61.620 10.148 0.00 0.00 +ATOM 21153 H2 WAT X6355 71.895 60.851 8.882 0.00 0.00 +ATOM 21154 O WAT X6356 16.273 48.116 33.202 0.00 0.00 +ATOM 21155 H1 WAT X6356 15.721 47.448 33.611 0.00 0.00 +ATOM 21156 H2 WAT X6356 16.031 48.929 33.645 0.00 0.00 +ATOM 21157 O WAT X6357 14.729 17.134 4.335 0.00 0.00 +ATOM 21158 H1 WAT X6357 15.520 17.177 4.873 0.00 0.00 +ATOM 21159 H2 WAT X6357 14.358 18.015 4.384 0.00 0.00 +ATOM 21160 O WAT X6358 13.756 41.497 16.669 0.00 0.00 +ATOM 21161 H1 WAT X6358 14.609 41.647 17.076 0.00 0.00 +ATOM 21162 H2 WAT X6358 13.630 42.251 16.093 0.00 0.00 +ATOM 21163 O WAT X6359 25.409 57.043 6.924 0.00 0.00 +ATOM 21164 H1 WAT X6359 26.243 56.929 7.380 0.00 0.00 +ATOM 21165 H2 WAT X6359 25.640 57.030 5.996 0.00 0.00 +ATOM 21166 O WAT X6360 73.506 1.285 9.776 0.00 0.00 +ATOM 21167 H1 WAT X6360 73.206 1.203 10.681 0.00 0.00 +ATOM 21168 H2 WAT X6360 74.210 0.640 9.698 0.00 0.00 +ATOM 21169 O WAT X6361 37.736 61.867 0.441 0.00 0.00 +ATOM 21170 H1 WAT X6361 38.687 61.837 0.337 0.00 0.00 +ATOM 21171 H2 WAT X6361 37.428 61.048 0.054 0.00 0.00 +ATOM 21172 O WAT X6362 76.901 26.092 21.481 0.00 0.00 +ATOM 21173 H1 WAT X6362 77.059 25.218 21.124 0.00 0.00 +ATOM 21174 H2 WAT X6362 77.279 26.687 20.833 0.00 0.00 +ATOM 21175 O WAT X6363 9.090 33.395 20.893 0.00 0.00 +ATOM 21176 H1 WAT X6363 8.863 34.270 20.579 0.00 0.00 +ATOM 21177 H2 WAT X6363 9.785 33.543 21.535 0.00 0.00 +ATOM 21178 O WAT X6364 31.083 29.996 56.485 0.00 0.00 +ATOM 21179 H1 WAT X6364 31.381 30.905 56.527 0.00 0.00 +ATOM 21180 H2 WAT X6364 30.494 29.903 57.234 0.00 0.00 +ATOM 21181 O WAT X6365 54.358 21.904 52.676 0.00 0.00 +ATOM 21182 H1 WAT X6365 54.260 22.661 53.253 0.00 0.00 +ATOM 21183 H2 WAT X6365 55.056 21.386 53.078 0.00 0.00 +ATOM 21184 O WAT X6366 60.721 7.116 37.549 0.00 0.00 +ATOM 21185 H1 WAT X6366 60.167 7.865 37.327 0.00 0.00 +ATOM 21186 H2 WAT X6366 60.958 7.258 38.466 0.00 0.00 +ATOM 21187 O WAT X6367 10.900 17.974 45.234 0.00 0.00 +ATOM 21188 H1 WAT X6367 10.297 18.120 45.962 0.00 0.00 +ATOM 21189 H2 WAT X6367 11.369 17.173 45.468 0.00 0.00 +ATOM 21190 O WAT X6368 1.538 4.837 19.265 0.00 0.00 +ATOM 21191 H1 WAT X6368 1.939 5.699 19.157 0.00 0.00 +ATOM 21192 H2 WAT X6368 1.737 4.376 18.450 0.00 0.00 +ATOM 21193 O WAT X6369 24.035 2.407 20.058 0.00 0.00 +ATOM 21194 H1 WAT X6369 23.430 2.668 19.364 0.00 0.00 +ATOM 21195 H2 WAT X6369 24.001 3.126 20.689 0.00 0.00 +ATOM 21196 O WAT X6370 66.412 28.483 28.568 0.00 0.00 +ATOM 21197 H1 WAT X6370 66.753 28.202 27.719 0.00 0.00 +ATOM 21198 H2 WAT X6370 66.687 29.396 28.646 0.00 0.00 +ATOM 21199 O WAT X6371 16.016 15.314 1.401 0.00 0.00 +ATOM 21200 H1 WAT X6371 16.464 15.018 2.194 0.00 0.00 +ATOM 21201 H2 WAT X6371 15.117 15.002 1.502 0.00 0.00 +ATOM 21202 O WAT X6372 20.203 19.965 10.485 0.00 0.00 +ATOM 21203 H1 WAT X6372 19.546 19.845 9.799 0.00 0.00 +ATOM 21204 H2 WAT X6372 20.666 19.128 10.522 0.00 0.00 +ATOM 21205 O WAT X6373 33.178 47.147 0.955 0.00 0.00 +ATOM 21206 H1 WAT X6373 33.879 47.798 0.957 0.00 0.00 +ATOM 21207 H2 WAT X6373 33.597 46.342 1.260 0.00 0.00 +ATOM 21208 O WAT X6374 20.887 9.640 8.924 0.00 0.00 +ATOM 21209 H1 WAT X6374 21.506 8.980 9.237 0.00 0.00 +ATOM 21210 H2 WAT X6374 21.173 9.833 8.032 0.00 0.00 +ATOM 21211 O WAT X6375 14.049 14.533 48.470 0.00 0.00 +ATOM 21212 H1 WAT X6375 13.643 14.753 49.309 0.00 0.00 +ATOM 21213 H2 WAT X6375 14.796 15.128 48.402 0.00 0.00 +ATOM 21214 O WAT X6376 23.124 50.031 14.009 0.00 0.00 +ATOM 21215 H1 WAT X6376 23.755 49.775 14.681 0.00 0.00 +ATOM 21216 H2 WAT X6376 23.658 50.417 13.314 0.00 0.00 +ATOM 21217 O WAT X6377 76.190 23.709 52.602 0.00 0.00 +ATOM 21218 H1 WAT X6377 76.354 23.492 51.684 0.00 0.00 +ATOM 21219 H2 WAT X6377 76.839 24.382 52.808 0.00 0.00 +ATOM 21220 O WAT X6378 14.666 8.309 43.337 0.00 0.00 +ATOM 21221 H1 WAT X6378 14.871 8.031 44.230 0.00 0.00 +ATOM 21222 H2 WAT X6378 15.480 8.178 42.852 0.00 0.00 +ATOM 21223 O WAT X6379 6.008 4.771 21.197 0.00 0.00 +ATOM 21224 H1 WAT X6379 5.506 4.409 21.926 0.00 0.00 +ATOM 21225 H2 WAT X6379 6.430 4.011 20.795 0.00 0.00 +ATOM 21226 O WAT X6380 66.077 18.073 9.331 0.00 0.00 +ATOM 21227 H1 WAT X6380 65.566 18.171 8.528 0.00 0.00 +ATOM 21228 H2 WAT X6380 65.434 17.825 9.995 0.00 0.00 +ATOM 21229 O WAT X6381 50.118 12.551 7.715 0.00 0.00 +ATOM 21230 H1 WAT X6381 50.516 13.421 7.723 0.00 0.00 +ATOM 21231 H2 WAT X6381 50.838 11.957 7.928 0.00 0.00 +ATOM 21232 O WAT X6382 21.032 34.206 0.839 0.00 0.00 +ATOM 21233 H1 WAT X6382 21.262 35.082 1.150 0.00 0.00 +ATOM 21234 H2 WAT X6382 21.005 33.670 1.632 0.00 0.00 +ATOM 21235 O WAT X6383 23.963 48.775 4.253 0.00 0.00 +ATOM 21236 H1 WAT X6383 23.619 48.170 4.910 0.00 0.00 +ATOM 21237 H2 WAT X6383 23.412 49.554 4.335 0.00 0.00 +ATOM 21238 O WAT X6384 6.709 39.553 7.496 0.00 0.00 +ATOM 21239 H1 WAT X6384 6.187 39.014 6.902 0.00 0.00 +ATOM 21240 H2 WAT X6384 7.008 40.285 6.955 0.00 0.00 +ATOM 21241 O WAT X6385 16.489 10.110 56.643 0.00 0.00 +ATOM 21242 H1 WAT X6385 16.632 9.774 55.757 0.00 0.00 +ATOM 21243 H2 WAT X6385 16.977 9.511 57.207 0.00 0.00 +ATOM 21244 O WAT X6386 52.243 46.926 2.026 0.00 0.00 +ATOM 21245 H1 WAT X6386 52.940 47.575 1.930 0.00 0.00 +ATOM 21246 H2 WAT X6386 51.916 47.055 2.916 0.00 0.00 +ATOM 21247 O WAT X6387 41.645 13.256 39.341 0.00 0.00 +ATOM 21248 H1 WAT X6387 40.845 13.775 39.412 0.00 0.00 +ATOM 21249 H2 WAT X6387 42.353 13.892 39.442 0.00 0.00 +ATOM 21250 O WAT X6388 27.279 51.224 45.376 0.00 0.00 +ATOM 21251 H1 WAT X6388 27.358 52.144 45.630 0.00 0.00 +ATOM 21252 H2 WAT X6388 27.066 50.769 46.191 0.00 0.00 +ATOM 21253 O WAT X6389 42.036 26.475 13.469 0.00 0.00 +ATOM 21254 H1 WAT X6389 41.675 27.124 14.074 0.00 0.00 +ATOM 21255 H2 WAT X6389 41.736 26.760 12.606 0.00 0.00 +ATOM 21256 O WAT X6390 14.533 47.443 10.056 0.00 0.00 +ATOM 21257 H1 WAT X6390 14.913 47.408 10.934 0.00 0.00 +ATOM 21258 H2 WAT X6390 15.014 46.780 9.560 0.00 0.00 +ATOM 21259 O WAT X6391 15.807 46.477 17.087 0.00 0.00 +ATOM 21260 H1 WAT X6391 16.490 46.222 16.466 0.00 0.00 +ATOM 21261 H2 WAT X6391 16.221 46.395 17.946 0.00 0.00 +ATOM 21262 O WAT X6392 45.066 58.700 56.569 0.00 0.00 +ATOM 21263 H1 WAT X6392 45.131 58.936 57.494 0.00 0.00 +ATOM 21264 H2 WAT X6392 45.974 58.620 56.277 0.00 0.00 +ATOM 21265 O WAT X6393 27.301 63.114 57.649 0.00 0.00 +ATOM 21266 H1 WAT X6393 27.098 62.221 57.927 0.00 0.00 +ATOM 21267 H2 WAT X6393 27.222 63.636 58.448 0.00 0.00 +ATOM 21268 O WAT X6394 41.201 32.473 50.262 0.00 0.00 +ATOM 21269 H1 WAT X6394 40.511 32.353 50.915 0.00 0.00 +ATOM 21270 H2 WAT X6394 40.732 32.594 49.437 0.00 0.00 +ATOM 21271 O WAT X6395 45.991 50.562 57.191 0.00 0.00 +ATOM 21272 H1 WAT X6395 45.919 49.976 56.437 0.00 0.00 +ATOM 21273 H2 WAT X6395 45.132 50.518 57.611 0.00 0.00 +ATOM 21274 O WAT X6396 48.975 10.826 38.457 0.00 0.00 +ATOM 21275 H1 WAT X6396 48.857 10.069 39.031 0.00 0.00 +ATOM 21276 H2 WAT X6396 49.695 11.317 38.853 0.00 0.00 +ATOM 21277 O WAT X6397 61.582 11.295 28.126 0.00 0.00 +ATOM 21278 H1 WAT X6397 61.942 10.680 27.487 0.00 0.00 +ATOM 21279 H2 WAT X6397 62.063 11.111 28.933 0.00 0.00 +ATOM 21280 O WAT X6398 17.043 8.189 12.584 0.00 0.00 +ATOM 21281 H1 WAT X6398 17.951 8.491 12.557 0.00 0.00 +ATOM 21282 H2 WAT X6398 16.696 8.546 13.401 0.00 0.00 +ATOM 21283 O WAT X6399 71.580 34.784 1.579 0.00 0.00 +ATOM 21284 H1 WAT X6399 72.314 35.141 2.079 0.00 0.00 +ATOM 21285 H2 WAT X6399 71.939 34.007 1.149 0.00 0.00 +ATOM 21286 O WAT X6400 41.019 44.107 47.528 0.00 0.00 +ATOM 21287 H1 WAT X6400 41.712 44.292 46.895 0.00 0.00 +ATOM 21288 H2 WAT X6400 41.383 44.382 48.370 0.00 0.00 +ATOM 21289 O WAT X6401 26.494 6.922 21.794 0.00 0.00 +ATOM 21290 H1 WAT X6401 26.824 7.815 21.694 0.00 0.00 +ATOM 21291 H2 WAT X6401 26.390 6.810 22.739 0.00 0.00 +ATOM 21292 O WAT X6402 37.376 13.495 30.185 0.00 0.00 +ATOM 21293 H1 WAT X6402 36.736 14.129 29.863 0.00 0.00 +ATOM 21294 H2 WAT X6402 38.091 14.031 30.528 0.00 0.00 +ATOM 21295 O WAT X6403 61.085 17.691 10.824 0.00 0.00 +ATOM 21296 H1 WAT X6403 60.528 16.973 11.124 0.00 0.00 +ATOM 21297 H2 WAT X6403 60.797 17.859 9.927 0.00 0.00 +ATOM 21298 O WAT X6404 9.707 27.182 44.097 0.00 0.00 +ATOM 21299 H1 WAT X6404 9.154 26.683 44.697 0.00 0.00 +ATOM 21300 H2 WAT X6404 9.491 28.097 44.277 0.00 0.00 +ATOM 21301 O WAT X6405 51.751 62.626 0.592 0.00 0.00 +ATOM 21302 H1 WAT X6405 52.275 62.194 -0.083 0.00 0.00 +ATOM 21303 H2 WAT X6405 52.334 62.682 1.349 0.00 0.00 +ATOM 21304 O WAT X6406 7.041 39.761 41.969 0.00 0.00 +ATOM 21305 H1 WAT X6406 6.347 39.806 42.627 0.00 0.00 +ATOM 21306 H2 WAT X6406 6.768 39.059 41.379 0.00 0.00 +ATOM 21307 O WAT X6407 43.241 15.152 20.808 0.00 0.00 +ATOM 21308 H1 WAT X6407 43.771 15.122 20.012 0.00 0.00 +ATOM 21309 H2 WAT X6407 43.293 14.264 21.164 0.00 0.00 +ATOM 21310 O WAT X6408 18.274 44.002 1.872 0.00 0.00 +ATOM 21311 H1 WAT X6408 18.360 44.859 2.290 0.00 0.00 +ATOM 21312 H2 WAT X6408 18.334 44.186 0.934 0.00 0.00 +ATOM 21313 O WAT X6409 38.455 39.084 2.484 0.00 0.00 +ATOM 21314 H1 WAT X6409 38.775 38.183 2.441 0.00 0.00 +ATOM 21315 H2 WAT X6409 39.060 39.580 1.933 0.00 0.00 +ATOM 21316 O WAT X6410 34.193 57.608 40.005 0.00 0.00 +ATOM 21317 H1 WAT X6410 35.099 57.669 39.701 0.00 0.00 +ATOM 21318 H2 WAT X6410 33.930 56.711 39.795 0.00 0.00 +ATOM 21319 O WAT X6411 26.115 55.355 17.181 0.00 0.00 +ATOM 21320 H1 WAT X6411 25.479 54.935 17.761 0.00 0.00 +ATOM 21321 H2 WAT X6411 25.730 56.208 16.983 0.00 0.00 +ATOM 21322 O WAT X6412 52.092 57.504 46.902 0.00 0.00 +ATOM 21323 H1 WAT X6412 52.594 57.850 47.640 0.00 0.00 +ATOM 21324 H2 WAT X6412 51.918 58.268 46.352 0.00 0.00 +ATOM 21325 O WAT X6413 40.399 12.883 5.798 0.00 0.00 +ATOM 21326 H1 WAT X6413 41.288 13.167 6.011 0.00 0.00 +ATOM 21327 H2 WAT X6413 40.476 12.489 4.929 0.00 0.00 +ATOM 21328 O WAT X6414 74.540 0.176 52.949 0.00 0.00 +ATOM 21329 H1 WAT X6414 74.666 -0.594 52.394 0.00 0.00 +ATOM 21330 H2 WAT X6414 73.787 0.626 52.567 0.00 0.00 +ATOM 21331 O WAT X6415 16.481 41.772 2.797 0.00 0.00 +ATOM 21332 H1 WAT X6415 16.740 42.521 2.260 0.00 0.00 +ATOM 21333 H2 WAT X6415 17.268 41.551 3.295 0.00 0.00 +ATOM 21334 O WAT X6416 38.137 49.437 0.408 0.00 0.00 +ATOM 21335 H1 WAT X6416 37.796 50.194 -0.068 0.00 0.00 +ATOM 21336 H2 WAT X6416 38.018 48.702 -0.194 0.00 0.00 +ATOM 21337 O WAT X6417 50.098 12.614 34.811 0.00 0.00 +ATOM 21338 H1 WAT X6417 49.613 11.979 35.339 0.00 0.00 +ATOM 21339 H2 WAT X6417 50.233 12.175 33.972 0.00 0.00 +ATOM 21340 O WAT X6418 76.107 43.831 38.435 0.00 0.00 +ATOM 21341 H1 WAT X6418 76.296 44.752 38.253 0.00 0.00 +ATOM 21342 H2 WAT X6418 76.968 43.418 38.498 0.00 0.00 +ATOM 21343 O WAT X6419 68.487 17.136 18.899 0.00 0.00 +ATOM 21344 H1 WAT X6419 69.366 16.802 18.720 0.00 0.00 +ATOM 21345 H2 WAT X6419 68.414 17.922 18.358 0.00 0.00 +ATOM 21346 O WAT X6420 2.315 38.691 46.419 0.00 0.00 +ATOM 21347 H1 WAT X6420 1.512 38.881 45.934 0.00 0.00 +ATOM 21348 H2 WAT X6420 2.077 37.972 47.005 0.00 0.00 +ATOM 21349 O WAT X6421 76.320 8.170 57.189 0.00 0.00 +ATOM 21350 H1 WAT X6421 76.160 7.686 56.378 0.00 0.00 +ATOM 21351 H2 WAT X6421 77.236 7.991 57.398 0.00 0.00 +ATOM 21352 O WAT X6422 71.478 52.320 23.991 0.00 0.00 +ATOM 21353 H1 WAT X6422 70.703 52.875 23.911 0.00 0.00 +ATOM 21354 H2 WAT X6422 71.746 52.152 23.087 0.00 0.00 +ATOM 21355 O WAT X6423 22.580 14.077 50.486 0.00 0.00 +ATOM 21356 H1 WAT X6423 21.678 14.083 50.163 0.00 0.00 +ATOM 21357 H2 WAT X6423 22.775 13.151 50.634 0.00 0.00 +ATOM 21358 O WAT X6424 26.301 49.204 3.016 0.00 0.00 +ATOM 21359 H1 WAT X6424 26.698 48.381 3.303 0.00 0.00 +ATOM 21360 H2 WAT X6424 25.474 49.252 3.496 0.00 0.00 +ATOM 21361 O WAT X6425 18.424 12.282 43.717 0.00 0.00 +ATOM 21362 H1 WAT X6425 17.975 11.495 43.409 0.00 0.00 +ATOM 21363 H2 WAT X6425 19.064 11.961 44.351 0.00 0.00 +ATOM 21364 O WAT X6426 54.586 16.176 24.178 0.00 0.00 +ATOM 21365 H1 WAT X6426 54.428 16.568 23.319 0.00 0.00 +ATOM 21366 H2 WAT X6426 54.841 16.912 24.734 0.00 0.00 +ATOM 21367 O WAT X6427 31.018 20.938 10.426 0.00 0.00 +ATOM 21368 H1 WAT X6427 30.221 20.978 10.955 0.00 0.00 +ATOM 21369 H2 WAT X6427 31.008 21.747 9.915 0.00 0.00 +ATOM 21370 O WAT X6428 39.914 42.148 41.571 0.00 0.00 +ATOM 21371 H1 WAT X6428 39.464 41.396 41.956 0.00 0.00 +ATOM 21372 H2 WAT X6428 39.213 42.678 41.192 0.00 0.00 +ATOM 21373 O WAT X6429 71.250 6.625 7.107 0.00 0.00 +ATOM 21374 H1 WAT X6429 72.014 6.955 6.634 0.00 0.00 +ATOM 21375 H2 WAT X6429 71.292 5.675 6.996 0.00 0.00 +ATOM 21376 O WAT X6430 46.776 32.264 57.773 0.00 0.00 +ATOM 21377 H1 WAT X6430 46.869 32.934 58.450 0.00 0.00 +ATOM 21378 H2 WAT X6430 47.665 32.134 57.441 0.00 0.00 +ATOM 21379 O WAT X6431 9.404 3.136 21.885 0.00 0.00 +ATOM 21380 H1 WAT X6431 8.870 2.570 21.327 0.00 0.00 +ATOM 21381 H2 WAT X6431 9.867 3.708 21.273 0.00 0.00 +ATOM 21382 O WAT X6432 30.712 3.616 15.525 0.00 0.00 +ATOM 21383 H1 WAT X6432 30.000 3.911 14.958 0.00 0.00 +ATOM 21384 H2 WAT X6432 30.709 2.663 15.438 0.00 0.00 +ATOM 21385 O WAT X6433 67.315 59.230 0.608 0.00 0.00 +ATOM 21386 H1 WAT X6433 67.019 58.818 1.419 0.00 0.00 +ATOM 21387 H2 WAT X6433 68.265 59.298 0.707 0.00 0.00 +ATOM 21388 O WAT X6434 30.509 3.934 18.875 0.00 0.00 +ATOM 21389 H1 WAT X6434 30.487 4.062 17.927 0.00 0.00 +ATOM 21390 H2 WAT X6434 30.348 4.805 19.238 0.00 0.00 +ATOM 21391 O WAT X6435 57.776 14.393 33.587 0.00 0.00 +ATOM 21392 H1 WAT X6435 58.551 13.923 33.897 0.00 0.00 +ATOM 21393 H2 WAT X6435 57.119 13.709 33.453 0.00 0.00 +ATOM 21394 O WAT X6436 25.580 8.453 24.450 0.00 0.00 +ATOM 21395 H1 WAT X6436 25.926 7.659 24.859 0.00 0.00 +ATOM 21396 H2 WAT X6436 24.715 8.198 24.128 0.00 0.00 +ATOM 21397 O WAT X6437 16.562 41.620 36.300 0.00 0.00 +ATOM 21398 H1 WAT X6437 15.898 42.176 35.892 0.00 0.00 +ATOM 21399 H2 WAT X6437 16.722 42.025 37.153 0.00 0.00 +ATOM 21400 O WAT X6438 63.943 46.432 3.926 0.00 0.00 +ATOM 21401 H1 WAT X6438 63.277 47.046 3.617 0.00 0.00 +ATOM 21402 H2 WAT X6438 64.767 46.913 3.848 0.00 0.00 +ATOM 21403 O WAT X6439 68.626 1.945 42.825 0.00 0.00 +ATOM 21404 H1 WAT X6439 69.443 2.101 42.352 0.00 0.00 +ATOM 21405 H2 WAT X6439 67.944 2.024 42.158 0.00 0.00 +ATOM 21406 O WAT X6440 36.361 15.047 41.800 0.00 0.00 +ATOM 21407 H1 WAT X6440 35.920 14.882 42.633 0.00 0.00 +ATOM 21408 H2 WAT X6440 36.645 15.959 41.856 0.00 0.00 +ATOM 21409 O WAT X6441 0.795 48.650 11.578 0.00 0.00 +ATOM 21410 H1 WAT X6441 0.899 49.503 11.999 0.00 0.00 +ATOM 21411 H2 WAT X6441 1.038 48.802 10.665 0.00 0.00 +ATOM 21412 O WAT X6442 71.093 60.684 20.449 0.00 0.00 +ATOM 21413 H1 WAT X6442 71.688 60.608 19.703 0.00 0.00 +ATOM 21414 H2 WAT X6442 70.308 60.207 20.179 0.00 0.00 +ATOM 21415 O WAT X6443 19.608 52.933 57.381 0.00 0.00 +ATOM 21416 H1 WAT X6443 19.395 52.026 57.161 0.00 0.00 +ATOM 21417 H2 WAT X6443 18.767 53.324 57.621 0.00 0.00 +ATOM 21418 O WAT X6444 73.905 38.158 10.075 0.00 0.00 +ATOM 21419 H1 WAT X6444 74.727 37.850 10.457 0.00 0.00 +ATOM 21420 H2 WAT X6444 73.399 38.477 10.823 0.00 0.00 +ATOM 21421 O WAT X6445 2.602 43.473 19.012 0.00 0.00 +ATOM 21422 H1 WAT X6445 3.540 43.374 19.171 0.00 0.00 +ATOM 21423 H2 WAT X6445 2.222 42.642 19.298 0.00 0.00 +ATOM 21424 O WAT X6446 73.232 41.484 18.079 0.00 0.00 +ATOM 21425 H1 WAT X6446 72.570 41.508 18.770 0.00 0.00 +ATOM 21426 H2 WAT X6446 73.324 40.555 17.868 0.00 0.00 +ATOM 21427 O WAT X6447 26.386 8.717 18.826 0.00 0.00 +ATOM 21428 H1 WAT X6447 26.650 8.668 19.745 0.00 0.00 +ATOM 21429 H2 WAT X6447 26.961 9.382 18.447 0.00 0.00 +ATOM 21430 O WAT X6448 67.406 23.728 3.507 0.00 0.00 +ATOM 21431 H1 WAT X6448 67.384 24.416 4.173 0.00 0.00 +ATOM 21432 H2 WAT X6448 68.010 23.074 3.858 0.00 0.00 +ATOM 21433 O WAT X6449 32.676 27.185 2.551 0.00 0.00 +ATOM 21434 H1 WAT X6449 31.855 27.522 2.909 0.00 0.00 +ATOM 21435 H2 WAT X6449 32.878 27.772 1.823 0.00 0.00 +ATOM 21436 O WAT X6450 16.085 38.758 14.893 0.00 0.00 +ATOM 21437 H1 WAT X6450 16.196 37.987 14.337 0.00 0.00 +ATOM 21438 H2 WAT X6450 15.137 38.873 14.957 0.00 0.00 +ATOM 21439 O WAT X6451 68.394 36.389 7.914 0.00 0.00 +ATOM 21440 H1 WAT X6451 69.065 37.034 7.689 0.00 0.00 +ATOM 21441 H2 WAT X6451 67.566 36.839 7.748 0.00 0.00 +ATOM 21442 O WAT X6452 75.620 54.383 49.993 0.00 0.00 +ATOM 21443 H1 WAT X6452 75.238 55.210 50.286 0.00 0.00 +ATOM 21444 H2 WAT X6452 76.500 54.378 50.370 0.00 0.00 +ATOM 21445 O WAT X6453 51.749 20.839 51.938 0.00 0.00 +ATOM 21446 H1 WAT X6453 51.297 21.422 51.329 0.00 0.00 +ATOM 21447 H2 WAT X6453 52.559 21.301 52.155 0.00 0.00 +ATOM 21448 O WAT X6454 17.714 15.046 15.570 0.00 0.00 +ATOM 21449 H1 WAT X6454 16.997 14.447 15.777 0.00 0.00 +ATOM 21450 H2 WAT X6454 17.795 15.004 14.617 0.00 0.00 +ATOM 21451 O WAT X6455 4.899 57.673 12.776 0.00 0.00 +ATOM 21452 H1 WAT X6455 5.813 57.629 13.055 0.00 0.00 +ATOM 21453 H2 WAT X6455 4.401 57.370 13.535 0.00 0.00 +ATOM 21454 O WAT X6456 13.021 54.857 16.775 0.00 0.00 +ATOM 21455 H1 WAT X6456 13.471 54.014 16.825 0.00 0.00 +ATOM 21456 H2 WAT X6456 12.092 54.637 16.836 0.00 0.00 +ATOM 21457 O WAT X6457 1.586 7.088 48.834 0.00 0.00 +ATOM 21458 H1 WAT X6457 1.290 7.275 49.725 0.00 0.00 +ATOM 21459 H2 WAT X6457 2.538 7.174 48.875 0.00 0.00 +ATOM 21460 O WAT X6458 74.283 36.504 43.637 0.00 0.00 +ATOM 21461 H1 WAT X6458 74.239 36.222 42.723 0.00 0.00 +ATOM 21462 H2 WAT X6458 74.455 35.700 44.127 0.00 0.00 +ATOM 21463 O WAT X6459 59.699 52.512 15.084 0.00 0.00 +ATOM 21464 H1 WAT X6459 60.332 52.326 15.777 0.00 0.00 +ATOM 21465 H2 WAT X6459 59.878 53.418 14.832 0.00 0.00 +ATOM 21466 O WAT X6460 14.333 1.500 4.283 0.00 0.00 +ATOM 21467 H1 WAT X6460 14.154 2.439 4.226 0.00 0.00 +ATOM 21468 H2 WAT X6460 14.242 1.184 3.384 0.00 0.00 +ATOM 21469 O WAT X6461 67.166 58.518 26.034 0.00 0.00 +ATOM 21470 H1 WAT X6461 66.805 58.941 26.814 0.00 0.00 +ATOM 21471 H2 WAT X6461 66.440 58.507 25.410 0.00 0.00 +ATOM 21472 O WAT X6462 34.840 49.683 5.744 0.00 0.00 +ATOM 21473 H1 WAT X6462 35.142 49.535 6.640 0.00 0.00 +ATOM 21474 H2 WAT X6462 34.896 48.824 5.326 0.00 0.00 +ATOM 21475 O WAT X6463 35.565 0.253 25.900 0.00 0.00 +ATOM 21476 H1 WAT X6463 35.397 -0.384 25.206 0.00 0.00 +ATOM 21477 H2 WAT X6463 35.050 1.020 25.650 0.00 0.00 +ATOM 21478 O WAT X6464 66.736 23.574 40.144 0.00 0.00 +ATOM 21479 H1 WAT X6464 67.362 22.911 39.853 0.00 0.00 +ATOM 21480 H2 WAT X6464 66.179 23.728 39.381 0.00 0.00 +ATOM 21481 O WAT X6465 69.566 27.288 32.361 0.00 0.00 +ATOM 21482 H1 WAT X6465 70.437 26.910 32.484 0.00 0.00 +ATOM 21483 H2 WAT X6465 69.009 26.812 32.976 0.00 0.00 +ATOM 21484 O WAT X6466 8.812 34.775 2.996 0.00 0.00 +ATOM 21485 H1 WAT X6466 9.324 34.123 2.518 0.00 0.00 +ATOM 21486 H2 WAT X6466 8.545 35.406 2.328 0.00 0.00 +ATOM 21487 O WAT X6467 1.950 14.526 19.725 0.00 0.00 +ATOM 21488 H1 WAT X6467 2.083 13.794 20.328 0.00 0.00 +ATOM 21489 H2 WAT X6467 2.139 14.162 18.861 0.00 0.00 +ATOM 21490 O WAT X6468 59.901 13.203 6.001 0.00 0.00 +ATOM 21491 H1 WAT X6468 59.040 13.203 5.582 0.00 0.00 +ATOM 21492 H2 WAT X6468 59.803 13.793 6.749 0.00 0.00 +ATOM 21493 O WAT X6469 15.608 12.510 18.505 0.00 0.00 +ATOM 21494 H1 WAT X6469 16.467 12.090 18.557 0.00 0.00 +ATOM 21495 H2 WAT X6469 15.019 11.908 18.960 0.00 0.00 +ATOM 21496 O WAT X6470 8.160 53.206 54.807 0.00 0.00 +ATOM 21497 H1 WAT X6470 7.701 53.269 53.969 0.00 0.00 +ATOM 21498 H2 WAT X6470 7.464 53.232 55.464 0.00 0.00 +ATOM 21499 O WAT X6471 13.430 16.890 29.893 0.00 0.00 +ATOM 21500 H1 WAT X6471 14.226 16.502 30.257 0.00 0.00 +ATOM 21501 H2 WAT X6471 12.725 16.316 30.194 0.00 0.00 +ATOM 21502 O WAT X6472 46.360 38.503 13.590 0.00 0.00 +ATOM 21503 H1 WAT X6472 45.756 39.243 13.527 0.00 0.00 +ATOM 21504 H2 WAT X6472 46.319 38.088 12.728 0.00 0.00 +ATOM 21505 O WAT X6473 8.896 8.340 10.011 0.00 0.00 +ATOM 21506 H1 WAT X6473 8.565 8.309 10.909 0.00 0.00 +ATOM 21507 H2 WAT X6473 9.847 8.299 10.105 0.00 0.00 +ATOM 21508 O WAT X6474 15.117 2.713 14.629 0.00 0.00 +ATOM 21509 H1 WAT X6474 15.126 2.376 13.733 0.00 0.00 +ATOM 21510 H2 WAT X6474 15.693 3.477 14.604 0.00 0.00 +ATOM 21511 O WAT X6475 56.037 57.897 30.661 0.00 0.00 +ATOM 21512 H1 WAT X6475 56.374 57.458 29.880 0.00 0.00 +ATOM 21513 H2 WAT X6475 55.101 57.699 30.662 0.00 0.00 +ATOM 21514 O WAT X6476 73.797 22.365 45.604 0.00 0.00 +ATOM 21515 H1 WAT X6476 73.003 21.840 45.505 0.00 0.00 +ATOM 21516 H2 WAT X6476 74.317 21.892 46.255 0.00 0.00 +ATOM 21517 O WAT X6477 47.626 18.064 56.422 0.00 0.00 +ATOM 21518 H1 WAT X6477 46.849 17.504 56.431 0.00 0.00 +ATOM 21519 H2 WAT X6477 47.281 18.953 56.504 0.00 0.00 +ATOM 21520 O WAT X6478 45.390 58.406 16.035 0.00 0.00 +ATOM 21521 H1 WAT X6478 45.798 59.081 15.492 0.00 0.00 +ATOM 21522 H2 WAT X6478 45.969 58.326 16.793 0.00 0.00 +ATOM 21523 O WAT X6479 21.256 61.052 30.457 0.00 0.00 +ATOM 21524 H1 WAT X6479 21.149 60.769 29.549 0.00 0.00 +ATOM 21525 H2 WAT X6479 21.772 60.356 30.865 0.00 0.00 +ATOM 21526 O WAT X6480 59.019 34.765 4.557 0.00 0.00 +ATOM 21527 H1 WAT X6480 58.142 34.891 4.921 0.00 0.00 +ATOM 21528 H2 WAT X6480 59.474 34.231 5.208 0.00 0.00 +ATOM 21529 O WAT X6481 29.629 36.091 6.578 0.00 0.00 +ATOM 21530 H1 WAT X6481 29.864 35.468 5.890 0.00 0.00 +ATOM 21531 H2 WAT X6481 28.810 35.751 6.939 0.00 0.00 +ATOM 21532 O WAT X6482 73.270 15.222 38.359 0.00 0.00 +ATOM 21533 H1 WAT X6482 72.722 14.841 37.673 0.00 0.00 +ATOM 21534 H2 WAT X6482 73.805 15.873 37.904 0.00 0.00 +ATOM 21535 O WAT X6483 4.206 51.034 6.482 0.00 0.00 +ATOM 21536 H1 WAT X6483 3.398 50.713 6.884 0.00 0.00 +ATOM 21537 H2 WAT X6483 3.912 51.675 5.835 0.00 0.00 +ATOM 21538 O WAT X6484 5.851 4.450 55.931 0.00 0.00 +ATOM 21539 H1 WAT X6484 5.139 4.811 56.459 0.00 0.00 +ATOM 21540 H2 WAT X6484 5.555 4.554 55.027 0.00 0.00 +ATOM 21541 O WAT X6485 21.087 19.362 3.743 0.00 0.00 +ATOM 21542 H1 WAT X6485 21.056 20.318 3.784 0.00 0.00 +ATOM 21543 H2 WAT X6485 20.422 19.129 3.095 0.00 0.00 +ATOM 21544 O WAT X6486 3.670 32.025 25.223 0.00 0.00 +ATOM 21545 H1 WAT X6486 3.515 31.406 25.937 0.00 0.00 +ATOM 21546 H2 WAT X6486 3.858 31.472 24.465 0.00 0.00 +ATOM 21547 O WAT X6487 55.781 35.906 47.884 0.00 0.00 +ATOM 21548 H1 WAT X6487 54.991 36.335 47.555 0.00 0.00 +ATOM 21549 H2 WAT X6487 55.535 35.583 48.750 0.00 0.00 +ATOM 21550 O WAT X6488 9.398 39.092 40.585 0.00 0.00 +ATOM 21551 H1 WAT X6488 8.542 39.119 41.012 0.00 0.00 +ATOM 21552 H2 WAT X6488 9.596 40.008 40.387 0.00 0.00 +ATOM 21553 O WAT X6489 52.364 10.465 36.421 0.00 0.00 +ATOM 21554 H1 WAT X6489 52.639 9.717 36.950 0.00 0.00 +ATOM 21555 H2 WAT X6489 52.547 11.227 36.970 0.00 0.00 +ATOM 21556 O WAT X6490 16.030 47.504 12.520 0.00 0.00 +ATOM 21557 H1 WAT X6490 15.466 47.190 13.227 0.00 0.00 +ATOM 21558 H2 WAT X6490 16.360 48.346 12.833 0.00 0.00 +ATOM 21559 O WAT X6491 32.249 24.727 55.557 0.00 0.00 +ATOM 21560 H1 WAT X6491 32.091 25.552 56.016 0.00 0.00 +ATOM 21561 H2 WAT X6491 32.124 24.939 54.632 0.00 0.00 +ATOM 21562 O WAT X6492 22.210 43.277 38.790 0.00 0.00 +ATOM 21563 H1 WAT X6492 21.691 42.646 39.289 0.00 0.00 +ATOM 21564 H2 WAT X6492 22.397 42.833 37.963 0.00 0.00 +ATOM 21565 O WAT X6493 13.299 14.710 19.246 0.00 0.00 +ATOM 21566 H1 WAT X6493 13.069 13.789 19.373 0.00 0.00 +ATOM 21567 H2 WAT X6493 13.093 14.884 18.328 0.00 0.00 +ATOM 21568 O WAT X6494 29.058 2.971 7.799 0.00 0.00 +ATOM 21569 H1 WAT X6494 29.324 2.092 8.066 0.00 0.00 +ATOM 21570 H2 WAT X6494 29.774 3.537 8.089 0.00 0.00 +ATOM 21571 O WAT X6495 15.667 32.091 49.513 0.00 0.00 +ATOM 21572 H1 WAT X6495 15.371 32.510 50.321 0.00 0.00 +ATOM 21573 H2 WAT X6495 16.202 32.756 49.080 0.00 0.00 +ATOM 21574 O WAT X6496 33.287 40.243 6.562 0.00 0.00 +ATOM 21575 H1 WAT X6496 34.177 39.905 6.462 0.00 0.00 +ATOM 21576 H2 WAT X6496 32.732 39.463 6.557 0.00 0.00 +ATOM 21577 O WAT X6497 58.037 49.239 43.891 0.00 0.00 +ATOM 21578 H1 WAT X6497 57.823 48.311 43.992 0.00 0.00 +ATOM 21579 H2 WAT X6497 58.086 49.572 44.787 0.00 0.00 +ATOM 21580 O WAT X6498 76.141 56.949 34.292 0.00 0.00 +ATOM 21581 H1 WAT X6498 76.850 57.409 33.842 0.00 0.00 +ATOM 21582 H2 WAT X6498 75.556 56.666 33.590 0.00 0.00 +ATOM 21583 O WAT X6499 5.240 58.613 43.362 0.00 0.00 +ATOM 21584 H1 WAT X6499 5.969 58.023 43.551 0.00 0.00 +ATOM 21585 H2 WAT X6499 5.594 59.489 43.515 0.00 0.00 +ATOM 21586 O WAT X6500 67.644 11.140 6.696 0.00 0.00 +ATOM 21587 H1 WAT X6500 68.526 10.776 6.775 0.00 0.00 +ATOM 21588 H2 WAT X6500 67.321 11.181 7.596 0.00 0.00 +ATOM 21589 O WAT X6501 17.127 3.758 29.394 0.00 0.00 +ATOM 21590 H1 WAT X6501 17.401 3.896 30.301 0.00 0.00 +ATOM 21591 H2 WAT X6501 16.171 3.735 29.433 0.00 0.00 +ATOM 21592 O WAT X6502 31.979 16.179 40.730 0.00 0.00 +ATOM 21593 H1 WAT X6502 32.306 15.794 41.543 0.00 0.00 +ATOM 21594 H2 WAT X6502 31.372 15.525 40.382 0.00 0.00 +ATOM 21595 O WAT X6503 2.730 57.909 11.161 0.00 0.00 +ATOM 21596 H1 WAT X6503 2.494 58.724 10.717 0.00 0.00 +ATOM 21597 H2 WAT X6503 3.562 58.104 11.592 0.00 0.00 +ATOM 21598 O WAT X6504 63.165 19.251 28.055 0.00 0.00 +ATOM 21599 H1 WAT X6504 62.578 19.878 28.477 0.00 0.00 +ATOM 21600 H2 WAT X6504 64.042 19.598 28.218 0.00 0.00 +ATOM 21601 O WAT X6505 26.819 12.395 21.621 0.00 0.00 +ATOM 21602 H1 WAT X6505 26.130 11.744 21.491 0.00 0.00 +ATOM 21603 H2 WAT X6505 26.502 12.938 22.342 0.00 0.00 +ATOM 21604 O WAT X6506 19.407 8.406 29.532 0.00 0.00 +ATOM 21605 H1 WAT X6506 19.811 7.734 30.081 0.00 0.00 +ATOM 21606 H2 WAT X6506 20.093 9.064 29.416 0.00 0.00 +ATOM 21607 O WAT X6507 70.502 58.260 3.197 0.00 0.00 +ATOM 21608 H1 WAT X6507 70.344 58.387 4.133 0.00 0.00 +ATOM 21609 H2 WAT X6507 70.775 59.121 2.882 0.00 0.00 +ATOM 21610 O WAT X6508 37.438 24.800 50.415 0.00 0.00 +ATOM 21611 H1 WAT X6508 37.963 25.139 51.140 0.00 0.00 +ATOM 21612 H2 WAT X6508 37.658 23.869 50.375 0.00 0.00 +ATOM 21613 O WAT X6509 24.730 9.921 8.169 0.00 0.00 +ATOM 21614 H1 WAT X6509 25.406 9.268 8.351 0.00 0.00 +ATOM 21615 H2 WAT X6509 24.153 9.888 8.931 0.00 0.00 +ATOM 21616 O WAT X6510 44.470 47.349 47.531 0.00 0.00 +ATOM 21617 H1 WAT X6510 44.101 47.633 48.367 0.00 0.00 +ATOM 21618 H2 WAT X6510 43.708 47.159 46.984 0.00 0.00 +ATOM 21619 O WAT X6511 6.099 3.946 1.023 0.00 0.00 +ATOM 21620 H1 WAT X6511 6.937 3.781 1.455 0.00 0.00 +ATOM 21621 H2 WAT X6511 6.332 4.154 0.118 0.00 0.00 +ATOM 21622 O WAT X6512 67.853 7.918 38.375 0.00 0.00 +ATOM 21623 H1 WAT X6512 68.024 7.988 39.314 0.00 0.00 +ATOM 21624 H2 WAT X6512 66.936 7.649 38.318 0.00 0.00 +ATOM 21625 O WAT X6513 23.643 35.137 53.569 0.00 0.00 +ATOM 21626 H1 WAT X6513 23.250 34.682 52.824 0.00 0.00 +ATOM 21627 H2 WAT X6513 24.471 34.681 53.718 0.00 0.00 +ATOM 21628 O WAT X6514 16.079 5.424 39.394 0.00 0.00 +ATOM 21629 H1 WAT X6514 16.476 4.658 39.809 0.00 0.00 +ATOM 21630 H2 WAT X6514 16.290 5.329 38.465 0.00 0.00 +ATOM 21631 O WAT X6515 8.779 50.963 55.931 0.00 0.00 +ATOM 21632 H1 WAT X6515 8.438 51.718 55.451 0.00 0.00 +ATOM 21633 H2 WAT X6515 8.726 51.220 56.851 0.00 0.00 +ATOM 21634 O WAT X6516 68.729 42.865 17.128 0.00 0.00 +ATOM 21635 H1 WAT X6516 68.221 43.266 16.423 0.00 0.00 +ATOM 21636 H2 WAT X6516 69.544 43.366 17.151 0.00 0.00 +ATOM 21637 O WAT X6517 40.418 19.927 13.240 0.00 0.00 +ATOM 21638 H1 WAT X6517 39.533 19.571 13.163 0.00 0.00 +ATOM 21639 H2 WAT X6517 40.287 20.845 13.477 0.00 0.00 +ATOM 21640 O WAT X6518 3.550 23.095 4.348 0.00 0.00 +ATOM 21641 H1 WAT X6518 2.620 23.314 4.393 0.00 0.00 +ATOM 21642 H2 WAT X6518 3.590 22.169 4.586 0.00 0.00 +ATOM 21643 O WAT X6519 65.665 17.252 1.431 0.00 0.00 +ATOM 21644 H1 WAT X6519 64.840 16.771 1.501 0.00 0.00 +ATOM 21645 H2 WAT X6519 65.802 17.355 0.489 0.00 0.00 +ATOM 21646 O WAT X6520 18.125 52.585 42.085 0.00 0.00 +ATOM 21647 H1 WAT X6520 17.319 52.338 41.632 0.00 0.00 +ATOM 21648 H2 WAT X6520 18.029 52.217 42.963 0.00 0.00 +ATOM 21649 O WAT X6521 40.540 13.489 57.921 0.00 0.00 +ATOM 21650 H1 WAT X6521 39.640 13.244 57.706 0.00 0.00 +ATOM 21651 H2 WAT X6521 40.598 14.417 57.690 0.00 0.00 +ATOM 21652 O WAT X6522 57.364 2.326 4.702 0.00 0.00 +ATOM 21653 H1 WAT X6522 57.093 3.237 4.588 0.00 0.00 +ATOM 21654 H2 WAT X6522 58.320 2.357 4.695 0.00 0.00 +ATOM 21655 O WAT X6523 11.819 48.387 32.407 0.00 0.00 +ATOM 21656 H1 WAT X6523 11.733 47.919 31.577 0.00 0.00 +ATOM 21657 H2 WAT X6523 11.407 49.236 32.248 0.00 0.00 +ATOM 21658 O WAT X6524 67.590 62.635 56.856 0.00 0.00 +ATOM 21659 H1 WAT X6524 67.697 62.245 55.989 0.00 0.00 +ATOM 21660 H2 WAT X6524 67.806 63.560 56.731 0.00 0.00 +ATOM 21661 O WAT X6525 45.068 10.000 10.287 0.00 0.00 +ATOM 21662 H1 WAT X6525 45.742 9.320 10.316 0.00 0.00 +ATOM 21663 H2 WAT X6525 44.268 9.556 10.570 0.00 0.00 +ATOM 21664 O WAT X6526 37.403 34.302 44.008 0.00 0.00 +ATOM 21665 H1 WAT X6526 38.111 33.699 43.783 0.00 0.00 +ATOM 21666 H2 WAT X6526 37.379 34.298 44.964 0.00 0.00 +ATOM 21667 O WAT X6527 11.728 32.699 48.959 0.00 0.00 +ATOM 21668 H1 WAT X6527 11.780 32.748 48.005 0.00 0.00 +ATOM 21669 H2 WAT X6527 12.533 32.253 49.221 0.00 0.00 +ATOM 21670 O WAT X6528 25.752 44.262 52.257 0.00 0.00 +ATOM 21671 H1 WAT X6528 25.411 44.946 52.833 0.00 0.00 +ATOM 21672 H2 WAT X6528 26.696 44.419 52.231 0.00 0.00 +ATOM 21673 O WAT X6529 64.082 16.348 8.079 0.00 0.00 +ATOM 21674 H1 WAT X6529 63.323 16.930 8.121 0.00 0.00 +ATOM 21675 H2 WAT X6529 63.773 15.525 8.457 0.00 0.00 +ATOM 21676 O WAT X6530 68.434 53.950 50.385 0.00 0.00 +ATOM 21677 H1 WAT X6530 68.921 53.544 49.667 0.00 0.00 +ATOM 21678 H2 WAT X6530 68.810 53.565 51.177 0.00 0.00 +ATOM 21679 O WAT X6531 23.213 29.793 58.157 0.00 0.00 +ATOM 21680 H1 WAT X6531 22.794 29.625 59.001 0.00 0.00 +ATOM 21681 H2 WAT X6531 22.876 29.107 57.582 0.00 0.00 +ATOM 21682 O WAT X6532 55.185 62.310 16.599 0.00 0.00 +ATOM 21683 H1 WAT X6532 54.541 61.782 17.070 0.00 0.00 +ATOM 21684 H2 WAT X6532 55.988 62.226 17.114 0.00 0.00 +ATOM 21685 O WAT X6533 15.248 18.071 50.686 0.00 0.00 +ATOM 21686 H1 WAT X6533 15.896 17.555 51.164 0.00 0.00 +ATOM 21687 H2 WAT X6533 15.443 17.906 49.763 0.00 0.00 +ATOM 21688 O WAT X6534 41.348 14.904 8.809 0.00 0.00 +ATOM 21689 H1 WAT X6534 40.946 15.606 8.298 0.00 0.00 +ATOM 21690 H2 WAT X6534 42.210 14.782 8.411 0.00 0.00 +ATOM 21691 O WAT X6535 16.112 19.762 35.327 0.00 0.00 +ATOM 21692 H1 WAT X6535 16.786 19.398 35.901 0.00 0.00 +ATOM 21693 H2 WAT X6535 15.393 19.132 35.371 0.00 0.00 +ATOM 21694 O WAT X6536 45.348 14.381 57.784 0.00 0.00 +ATOM 21695 H1 WAT X6536 45.719 14.860 57.043 0.00 0.00 +ATOM 21696 H2 WAT X6536 45.642 13.479 57.658 0.00 0.00 +ATOM 21697 O WAT X6537 13.201 45.256 19.425 0.00 0.00 +ATOM 21698 H1 WAT X6537 12.288 45.029 19.600 0.00 0.00 +ATOM 21699 H2 WAT X6537 13.152 46.028 18.861 0.00 0.00 +ATOM 21700 O WAT X6538 28.402 49.135 31.716 0.00 0.00 +ATOM 21701 H1 WAT X6538 27.940 48.312 31.560 0.00 0.00 +ATOM 21702 H2 WAT X6538 28.064 49.444 32.557 0.00 0.00 +ATOM 21703 O WAT X6539 38.586 32.420 9.249 0.00 0.00 +ATOM 21704 H1 WAT X6539 39.404 32.372 9.743 0.00 0.00 +ATOM 21705 H2 WAT X6539 38.337 33.343 9.287 0.00 0.00 +ATOM 21706 O WAT X6540 34.173 17.493 11.327 0.00 0.00 +ATOM 21707 H1 WAT X6540 34.517 18.386 11.296 0.00 0.00 +ATOM 21708 H2 WAT X6540 33.248 17.600 11.549 0.00 0.00 +ATOM 21709 O WAT X6541 9.171 60.313 19.978 0.00 0.00 +ATOM 21710 H1 WAT X6541 8.689 60.056 19.193 0.00 0.00 +ATOM 21711 H2 WAT X6541 8.771 59.805 20.683 0.00 0.00 +ATOM 21712 O WAT X6542 45.360 9.623 4.932 0.00 0.00 +ATOM 21713 H1 WAT X6542 45.995 9.451 5.627 0.00 0.00 +ATOM 21714 H2 WAT X6542 45.863 10.073 4.253 0.00 0.00 +ATOM 21715 O WAT X6543 3.984 39.463 40.406 0.00 0.00 +ATOM 21716 H1 WAT X6543 3.632 38.590 40.230 0.00 0.00 +ATOM 21717 H2 WAT X6543 4.531 39.658 39.646 0.00 0.00 +ATOM 21718 O WAT X6544 11.407 60.722 40.316 0.00 0.00 +ATOM 21719 H1 WAT X6544 11.551 61.001 41.220 0.00 0.00 +ATOM 21720 H2 WAT X6544 12.261 60.825 39.895 0.00 0.00 +ATOM 21721 O WAT X6545 52.150 13.954 19.172 0.00 0.00 +ATOM 21722 H1 WAT X6545 52.679 13.617 19.895 0.00 0.00 +ATOM 21723 H2 WAT X6545 51.245 13.833 19.460 0.00 0.00 +ATOM 21724 O WAT X6546 73.389 27.960 30.042 0.00 0.00 +ATOM 21725 H1 WAT X6546 72.530 28.330 30.244 0.00 0.00 +ATOM 21726 H2 WAT X6546 73.730 27.671 30.889 0.00 0.00 +ATOM 21727 O WAT X6547 16.558 26.183 21.425 0.00 0.00 +ATOM 21728 H1 WAT X6547 17.286 26.702 21.081 0.00 0.00 +ATOM 21729 H2 WAT X6547 16.489 25.440 20.825 0.00 0.00 +ATOM 21730 O WAT X6548 69.713 11.144 42.357 0.00 0.00 +ATOM 21731 H1 WAT X6548 69.941 11.411 43.248 0.00 0.00 +ATOM 21732 H2 WAT X6548 69.055 11.780 42.077 0.00 0.00 +ATOM 21733 O WAT X6549 32.194 23.551 5.221 0.00 0.00 +ATOM 21734 H1 WAT X6549 31.382 23.051 5.137 0.00 0.00 +ATOM 21735 H2 WAT X6549 32.608 23.204 6.011 0.00 0.00 +ATOM 21736 O WAT X6550 66.666 38.078 57.957 0.00 0.00 +ATOM 21737 H1 WAT X6550 67.543 38.463 57.942 0.00 0.00 +ATOM 21738 H2 WAT X6550 66.816 37.139 57.848 0.00 0.00 +ATOM 21739 O WAT X6551 50.447 51.430 22.580 0.00 0.00 +ATOM 21740 H1 WAT X6551 51.114 50.743 22.597 0.00 0.00 +ATOM 21741 H2 WAT X6551 50.853 52.168 23.034 0.00 0.00 +ATOM 21742 O WAT X6552 68.345 27.957 43.108 0.00 0.00 +ATOM 21743 H1 WAT X6552 67.740 27.353 42.678 0.00 0.00 +ATOM 21744 H2 WAT X6552 69.152 27.891 42.597 0.00 0.00 +ATOM 21745 O WAT X6553 3.077 52.131 9.948 0.00 0.00 +ATOM 21746 H1 WAT X6553 3.276 52.960 9.512 0.00 0.00 +ATOM 21747 H2 WAT X6553 2.301 52.319 10.475 0.00 0.00 +ATOM 21748 O WAT X6554 8.548 60.961 16.537 0.00 0.00 +ATOM 21749 H1 WAT X6554 8.527 61.917 16.485 0.00 0.00 +ATOM 21750 H2 WAT X6554 7.714 60.682 16.159 0.00 0.00 +ATOM 21751 O WAT X6555 71.819 47.893 37.123 0.00 0.00 +ATOM 21752 H1 WAT X6555 71.253 47.626 36.399 0.00 0.00 +ATOM 21753 H2 WAT X6555 72.332 47.111 37.328 0.00 0.00 +ATOM 21754 O WAT X6556 8.529 4.184 35.617 0.00 0.00 +ATOM 21755 H1 WAT X6556 8.214 4.451 36.481 0.00 0.00 +ATOM 21756 H2 WAT X6556 9.478 4.304 35.661 0.00 0.00 +ATOM 21757 O WAT X6557 16.353 59.314 39.753 0.00 0.00 +ATOM 21758 H1 WAT X6557 16.990 58.701 40.119 0.00 0.00 +ATOM 21759 H2 WAT X6557 16.519 59.298 38.810 0.00 0.00 +ATOM 21760 O WAT X6558 14.956 8.159 21.360 0.00 0.00 +ATOM 21761 H1 WAT X6558 15.879 7.943 21.488 0.00 0.00 +ATOM 21762 H2 WAT X6558 14.742 7.796 20.500 0.00 0.00 +ATOM 21763 O WAT X6559 9.119 48.781 0.319 0.00 0.00 +ATOM 21764 H1 WAT X6559 9.644 49.426 0.794 0.00 0.00 +ATOM 21765 H2 WAT X6559 9.694 48.020 0.234 0.00 0.00 +ATOM 21766 O WAT X6560 16.156 0.791 16.421 0.00 0.00 +ATOM 21767 H1 WAT X6560 16.436 1.415 17.090 0.00 0.00 +ATOM 21768 H2 WAT X6560 16.040 1.321 15.633 0.00 0.00 +ATOM 21769 O WAT X6561 35.621 2.530 12.286 0.00 0.00 +ATOM 21770 H1 WAT X6561 36.468 2.973 12.234 0.00 0.00 +ATOM 21771 H2 WAT X6561 35.093 3.087 12.857 0.00 0.00 +ATOM 21772 O WAT X6562 29.765 23.560 12.817 0.00 0.00 +ATOM 21773 H1 WAT X6562 29.254 23.875 13.562 0.00 0.00 +ATOM 21774 H2 WAT X6562 30.673 23.590 13.119 0.00 0.00 +ATOM 21775 O WAT X6563 72.041 45.051 37.864 0.00 0.00 +ATOM 21776 H1 WAT X6563 71.242 44.831 38.343 0.00 0.00 +ATOM 21777 H2 WAT X6563 72.725 45.068 38.533 0.00 0.00 +ATOM 21778 O WAT X6564 20.803 62.965 52.983 0.00 0.00 +ATOM 21779 H1 WAT X6564 20.922 62.034 52.797 0.00 0.00 +ATOM 21780 H2 WAT X6564 20.687 63.368 52.122 0.00 0.00 +ATOM 21781 O WAT X6565 61.731 35.683 3.709 0.00 0.00 +ATOM 21782 H1 WAT X6565 60.791 35.610 3.875 0.00 0.00 +ATOM 21783 H2 WAT X6565 62.034 34.777 3.647 0.00 0.00 +ATOM 21784 O WAT X6566 60.234 32.769 37.523 0.00 0.00 +ATOM 21785 H1 WAT X6566 60.678 32.959 38.349 0.00 0.00 +ATOM 21786 H2 WAT X6566 59.321 33.012 37.680 0.00 0.00 +ATOM 21787 O WAT X6567 -0.171 1.024 7.786 0.00 0.00 +ATOM 21788 H1 WAT X6567 -0.052 1.891 7.399 0.00 0.00 +ATOM 21789 H2 WAT X6567 0.708 0.762 8.061 0.00 0.00 +ATOM 21790 O WAT X6568 75.185 9.611 29.260 0.00 0.00 +ATOM 21791 H1 WAT X6568 74.701 9.353 28.476 0.00 0.00 +ATOM 21792 H2 WAT X6568 75.189 10.568 29.235 0.00 0.00 +ATOM 21793 O WAT X6569 53.826 53.001 40.394 0.00 0.00 +ATOM 21794 H1 WAT X6569 54.473 53.290 41.037 0.00 0.00 +ATOM 21795 H2 WAT X6569 54.027 53.508 39.607 0.00 0.00 +ATOM 21796 O WAT X6570 45.863 3.308 15.907 0.00 0.00 +ATOM 21797 H1 WAT X6570 45.720 3.462 16.841 0.00 0.00 +ATOM 21798 H2 WAT X6570 45.021 2.986 15.585 0.00 0.00 +ATOM 21799 O WAT X6571 64.590 46.303 46.857 0.00 0.00 +ATOM 21800 H1 WAT X6571 63.759 46.240 47.329 0.00 0.00 +ATOM 21801 H2 WAT X6571 65.180 46.741 47.470 0.00 0.00 +ATOM 21802 O WAT X6572 57.971 23.089 28.797 0.00 0.00 +ATOM 21803 H1 WAT X6572 57.327 23.366 28.145 0.00 0.00 +ATOM 21804 H2 WAT X6572 58.184 22.188 28.556 0.00 0.00 +ATOM 21805 O WAT X6573 25.313 5.386 34.474 0.00 0.00 +ATOM 21806 H1 WAT X6573 24.634 4.717 34.561 0.00 0.00 +ATOM 21807 H2 WAT X6573 25.837 5.100 33.725 0.00 0.00 +ATOM 21808 O WAT X6574 42.584 41.650 54.114 0.00 0.00 +ATOM 21809 H1 WAT X6574 41.884 40.996 54.117 0.00 0.00 +ATOM 21810 H2 WAT X6574 43.389 41.138 54.038 0.00 0.00 +ATOM 21811 O WAT X6575 71.846 58.527 33.544 0.00 0.00 +ATOM 21812 H1 WAT X6575 72.594 58.632 34.132 0.00 0.00 +ATOM 21813 H2 WAT X6575 71.218 58.007 34.046 0.00 0.00 +ATOM 21814 O WAT X6576 3.419 20.285 33.236 0.00 0.00 +ATOM 21815 H1 WAT X6576 3.213 19.841 34.058 0.00 0.00 +ATOM 21816 H2 WAT X6576 3.285 19.618 32.563 0.00 0.00 +ATOM 21817 O WAT X6577 10.136 3.719 0.254 0.00 0.00 +ATOM 21818 H1 WAT X6577 9.532 3.653 0.993 0.00 0.00 +ATOM 21819 H2 WAT X6577 9.601 4.060 -0.463 0.00 0.00 +ATOM 21820 O WAT X6578 40.247 43.973 9.683 0.00 0.00 +ATOM 21821 H1 WAT X6578 40.555 44.298 8.836 0.00 0.00 +ATOM 21822 H2 WAT X6578 39.566 44.593 9.944 0.00 0.00 +ATOM 21823 O WAT X6579 70.559 17.227 34.133 0.00 0.00 +ATOM 21824 H1 WAT X6579 69.822 17.631 34.592 0.00 0.00 +ATOM 21825 H2 WAT X6579 71.288 17.831 34.272 0.00 0.00 +ATOM 21826 O WAT X6580 18.782 2.269 20.875 0.00 0.00 +ATOM 21827 H1 WAT X6580 18.099 2.483 21.511 0.00 0.00 +ATOM 21828 H2 WAT X6580 18.748 1.315 20.800 0.00 0.00 +ATOM 21829 O WAT X6581 20.698 22.023 54.953 0.00 0.00 +ATOM 21830 H1 WAT X6581 20.387 21.219 55.369 0.00 0.00 +ATOM 21831 H2 WAT X6581 21.604 21.832 54.710 0.00 0.00 +ATOM 21832 O WAT X6582 39.709 16.081 45.538 0.00 0.00 +ATOM 21833 H1 WAT X6582 40.216 16.277 44.750 0.00 0.00 +ATOM 21834 H2 WAT X6582 39.307 16.916 45.778 0.00 0.00 +ATOM 21835 O WAT X6583 11.833 7.411 55.091 0.00 0.00 +ATOM 21836 H1 WAT X6583 11.784 8.031 54.363 0.00 0.00 +ATOM 21837 H2 WAT X6583 11.971 7.959 55.864 0.00 0.00 +ATOM 21838 O WAT X6584 7.942 52.022 -0.076 0.00 0.00 +ATOM 21839 H1 WAT X6584 7.617 52.794 0.387 0.00 0.00 +ATOM 21840 H2 WAT X6584 8.071 51.368 0.610 0.00 0.00 +ATOM 21841 O WAT X6585 21.717 11.303 35.916 0.00 0.00 +ATOM 21842 H1 WAT X6585 22.156 10.649 36.460 0.00 0.00 +ATOM 21843 H2 WAT X6585 21.975 12.143 36.296 0.00 0.00 +ATOM 21844 O WAT X6586 43.979 10.633 51.003 0.00 0.00 +ATOM 21845 H1 WAT X6586 43.090 10.406 50.730 0.00 0.00 +ATOM 21846 H2 WAT X6586 44.513 9.889 50.723 0.00 0.00 +ATOM 21847 O WAT X6587 1.753 36.455 48.000 0.00 0.00 +ATOM 21848 H1 WAT X6587 1.176 36.939 48.591 0.00 0.00 +ATOM 21849 H2 WAT X6587 1.610 35.535 48.225 0.00 0.00 +ATOM 21850 O WAT X6588 62.470 20.478 9.120 0.00 0.00 +ATOM 21851 H1 WAT X6588 61.545 20.714 9.193 0.00 0.00 +ATOM 21852 H2 WAT X6588 62.677 20.602 8.194 0.00 0.00 +ATOM 21853 O WAT X6589 71.558 62.058 11.836 0.00 0.00 +ATOM 21854 H1 WAT X6589 72.365 61.891 12.324 0.00 0.00 +ATOM 21855 H2 WAT X6589 70.964 62.443 12.481 0.00 0.00 +ATOM 21856 O WAT X6590 39.861 3.991 51.461 0.00 0.00 +ATOM 21857 H1 WAT X6590 40.168 4.159 52.352 0.00 0.00 +ATOM 21858 H2 WAT X6590 40.017 3.057 51.326 0.00 0.00 +ATOM 21859 O WAT X6591 75.026 58.378 52.160 0.00 0.00 +ATOM 21860 H1 WAT X6591 75.812 58.874 51.931 0.00 0.00 +ATOM 21861 H2 WAT X6591 74.329 59.033 52.185 0.00 0.00 +ATOM 21862 O WAT X6592 54.379 19.371 49.692 0.00 0.00 +ATOM 21863 H1 WAT X6592 53.436 19.428 49.848 0.00 0.00 +ATOM 21864 H2 WAT X6592 54.454 19.093 48.779 0.00 0.00 +ATOM 21865 O WAT X6593 66.517 50.709 19.441 0.00 0.00 +ATOM 21866 H1 WAT X6593 66.504 49.906 19.963 0.00 0.00 +ATOM 21867 H2 WAT X6593 67.220 50.571 18.807 0.00 0.00 +ATOM 21868 O WAT X6594 6.427 32.182 48.829 0.00 0.00 +ATOM 21869 H1 WAT X6594 7.366 32.330 48.716 0.00 0.00 +ATOM 21870 H2 WAT X6594 6.343 31.844 49.721 0.00 0.00 +ATOM 21871 O WAT X6595 72.919 42.592 24.967 0.00 0.00 +ATOM 21872 H1 WAT X6595 73.254 42.719 24.080 0.00 0.00 +ATOM 21873 H2 WAT X6595 73.504 41.941 25.353 0.00 0.00 +ATOM 21874 O WAT X6596 15.736 26.551 36.008 0.00 0.00 +ATOM 21875 H1 WAT X6596 15.939 25.775 35.487 0.00 0.00 +ATOM 21876 H2 WAT X6596 16.103 27.280 35.507 0.00 0.00 +ATOM 21877 O WAT X6597 77.165 62.112 45.849 0.00 0.00 +ATOM 21878 H1 WAT X6597 77.451 62.749 46.504 0.00 0.00 +ATOM 21879 H2 WAT X6597 77.643 62.354 45.055 0.00 0.00 +ATOM 21880 O WAT X6598 17.999 6.468 51.133 0.00 0.00 +ATOM 21881 H1 WAT X6598 18.432 7.129 51.672 0.00 0.00 +ATOM 21882 H2 WAT X6598 18.434 6.529 50.283 0.00 0.00 +ATOM 21883 O WAT X6599 56.579 8.357 50.438 0.00 0.00 +ATOM 21884 H1 WAT X6599 56.487 7.498 50.851 0.00 0.00 +ATOM 21885 H2 WAT X6599 57.239 8.226 49.758 0.00 0.00 +ATOM 21886 O WAT X6600 29.922 16.250 4.472 0.00 0.00 +ATOM 21887 H1 WAT X6600 30.216 15.445 4.045 0.00 0.00 +ATOM 21888 H2 WAT X6600 30.066 16.093 5.405 0.00 0.00 +ATOM 21889 O WAT X6601 19.195 2.583 10.535 0.00 0.00 +ATOM 21890 H1 WAT X6601 20.005 2.279 10.945 0.00 0.00 +ATOM 21891 H2 WAT X6601 19.301 2.366 9.608 0.00 0.00 +ATOM 21892 O WAT X6602 9.757 51.231 2.118 0.00 0.00 +ATOM 21893 H1 WAT X6602 10.424 50.641 2.468 0.00 0.00 +ATOM 21894 H2 WAT X6602 9.496 51.768 2.867 0.00 0.00 +ATOM 21895 O WAT X6603 0.400 35.630 55.396 0.00 0.00 +ATOM 21896 H1 WAT X6603 0.622 34.797 55.813 0.00 0.00 +ATOM 21897 H2 WAT X6603 1.176 36.176 55.522 0.00 0.00 +ATOM 21898 O WAT X6604 61.620 48.573 38.714 0.00 0.00 +ATOM 21899 H1 WAT X6604 62.378 48.990 38.307 0.00 0.00 +ATOM 21900 H2 WAT X6604 61.974 48.136 39.488 0.00 0.00 +ATOM 21901 O WAT X6605 28.829 56.674 54.626 0.00 0.00 +ATOM 21902 H1 WAT X6605 29.743 56.436 54.476 0.00 0.00 +ATOM 21903 H2 WAT X6605 28.708 57.485 54.131 0.00 0.00 +ATOM 21904 O WAT X6606 78.123 29.771 11.125 0.00 0.00 +ATOM 21905 H1 WAT X6606 78.529 29.622 10.271 0.00 0.00 +ATOM 21906 H2 WAT X6606 77.182 29.707 10.957 0.00 0.00 +ATOM 21907 O WAT X6607 2.309 55.694 43.189 0.00 0.00 +ATOM 21908 H1 WAT X6607 2.936 55.319 43.807 0.00 0.00 +ATOM 21909 H2 WAT X6607 2.425 55.181 42.389 0.00 0.00 +ATOM 21910 O WAT X6608 19.181 31.973 42.218 0.00 0.00 +ATOM 21911 H1 WAT X6608 18.541 31.756 41.540 0.00 0.00 +ATOM 21912 H2 WAT X6608 20.030 31.885 41.783 0.00 0.00 +ATOM 21913 O WAT X6609 64.322 18.668 14.098 0.00 0.00 +ATOM 21914 H1 WAT X6609 64.428 18.053 13.372 0.00 0.00 +ATOM 21915 H2 WAT X6609 65.198 18.745 14.476 0.00 0.00 +ATOM 21916 O WAT X6610 4.681 56.066 26.117 0.00 0.00 +ATOM 21917 H1 WAT X6610 4.368 56.641 26.816 0.00 0.00 +ATOM 21918 H2 WAT X6610 4.945 55.264 26.568 0.00 0.00 +ATOM 21919 O WAT X6611 44.945 12.068 24.065 0.00 0.00 +ATOM 21920 H1 WAT X6611 45.485 11.914 24.841 0.00 0.00 +ATOM 21921 H2 WAT X6611 44.564 11.214 23.865 0.00 0.00 +ATOM 21922 O WAT X6612 72.076 50.779 48.440 0.00 0.00 +ATOM 21923 H1 WAT X6612 72.203 50.410 47.566 0.00 0.00 +ATOM 21924 H2 WAT X6612 71.226 50.440 48.721 0.00 0.00 +ATOM 21925 O WAT X6613 61.424 13.813 15.623 0.00 0.00 +ATOM 21926 H1 WAT X6613 62.138 14.231 16.105 0.00 0.00 +ATOM 21927 H2 WAT X6613 61.633 12.879 15.646 0.00 0.00 +ATOM 21928 O WAT X6614 52.598 32.077 54.301 0.00 0.00 +ATOM 21929 H1 WAT X6614 53.220 32.652 53.856 0.00 0.00 +ATOM 21930 H2 WAT X6614 52.766 31.210 53.933 0.00 0.00 +ATOM 21931 O WAT X6615 53.601 14.803 13.227 0.00 0.00 +ATOM 21932 H1 WAT X6615 52.976 15.355 13.697 0.00 0.00 +ATOM 21933 H2 WAT X6615 53.056 14.237 12.680 0.00 0.00 +ATOM 21934 O WAT X6616 24.506 56.265 55.690 0.00 0.00 +ATOM 21935 H1 WAT X6616 25.187 55.813 56.187 0.00 0.00 +ATOM 21936 H2 WAT X6616 23.694 55.823 55.937 0.00 0.00 +ATOM 21937 O WAT X6617 47.836 15.370 23.339 0.00 0.00 +ATOM 21938 H1 WAT X6617 47.371 15.770 22.604 0.00 0.00 +ATOM 21939 H2 WAT X6617 47.711 15.982 24.064 0.00 0.00 +ATOM 21940 O WAT X6618 59.040 6.094 21.950 0.00 0.00 +ATOM 21941 H1 WAT X6618 58.881 5.543 21.184 0.00 0.00 +ATOM 21942 H2 WAT X6618 59.938 5.890 22.210 0.00 0.00 +ATOM 21943 O WAT X6619 2.160 17.965 19.325 0.00 0.00 +ATOM 21944 H1 WAT X6619 2.810 18.655 19.190 0.00 0.00 +ATOM 21945 H2 WAT X6619 2.676 17.190 19.548 0.00 0.00 +ATOM 21946 O WAT X6620 66.911 49.680 10.169 0.00 0.00 +ATOM 21947 H1 WAT X6620 66.135 50.240 10.175 0.00 0.00 +ATOM 21948 H2 WAT X6620 66.880 49.218 11.007 0.00 0.00 +ATOM 21949 O WAT X6621 51.919 2.088 47.874 0.00 0.00 +ATOM 21950 H1 WAT X6621 51.491 2.033 47.020 0.00 0.00 +ATOM 21951 H2 WAT X6621 52.469 1.306 47.917 0.00 0.00 +ATOM 21952 O WAT X6622 12.446 41.574 36.498 0.00 0.00 +ATOM 21953 H1 WAT X6622 13.282 41.788 36.084 0.00 0.00 +ATOM 21954 H2 WAT X6622 11.797 41.700 35.806 0.00 0.00 +ATOM 21955 O WAT X6623 24.703 60.461 10.015 0.00 0.00 +ATOM 21956 H1 WAT X6623 24.751 60.738 10.930 0.00 0.00 +ATOM 21957 H2 WAT X6623 25.472 59.904 9.893 0.00 0.00 +ATOM 21958 O WAT X6624 19.612 16.262 13.005 0.00 0.00 +ATOM 21959 H1 WAT X6624 18.826 15.720 13.075 0.00 0.00 +ATOM 21960 H2 WAT X6624 20.320 15.638 12.844 0.00 0.00 +ATOM 21961 O WAT X6625 20.226 29.810 43.894 0.00 0.00 +ATOM 21962 H1 WAT X6625 19.493 29.450 44.393 0.00 0.00 +ATOM 21963 H2 WAT X6625 19.906 30.653 43.571 0.00 0.00 +ATOM 21964 O WAT X6626 33.329 10.056 14.030 0.00 0.00 +ATOM 21965 H1 WAT X6626 32.729 10.731 13.714 0.00 0.00 +ATOM 21966 H2 WAT X6626 33.627 10.379 14.880 0.00 0.00 +ATOM 21967 O WAT X6627 47.306 15.832 47.857 0.00 0.00 +ATOM 21968 H1 WAT X6627 47.347 16.785 47.787 0.00 0.00 +ATOM 21969 H2 WAT X6627 47.151 15.532 46.961 0.00 0.00 +ATOM 21970 O WAT X6628 76.179 22.986 40.822 0.00 0.00 +ATOM 21971 H1 WAT X6628 75.777 22.582 41.590 0.00 0.00 +ATOM 21972 H2 WAT X6628 76.259 22.273 40.189 0.00 0.00 +ATOM 21973 O WAT X6629 38.180 21.765 10.689 0.00 0.00 +ATOM 21974 H1 WAT X6629 38.765 22.420 11.070 0.00 0.00 +ATOM 21975 H2 WAT X6629 37.513 21.621 11.361 0.00 0.00 +ATOM 21976 O WAT X6630 40.019 14.868 30.727 0.00 0.00 +ATOM 21977 H1 WAT X6630 39.461 15.492 30.263 0.00 0.00 +ATOM 21978 H2 WAT X6630 40.907 15.081 30.440 0.00 0.00 +ATOM 21979 O WAT X6631 46.068 33.768 8.528 0.00 0.00 +ATOM 21980 H1 WAT X6631 46.500 33.825 7.676 0.00 0.00 +ATOM 21981 H2 WAT X6631 45.829 34.672 8.735 0.00 0.00 +ATOM 21982 O WAT X6632 72.265 4.515 18.346 0.00 0.00 +ATOM 21983 H1 WAT X6632 73.173 4.307 18.128 0.00 0.00 +ATOM 21984 H2 WAT X6632 72.183 5.451 18.164 0.00 0.00 +ATOM 21985 O WAT X6633 77.191 40.049 5.992 0.00 0.00 +ATOM 21986 H1 WAT X6633 77.073 40.540 5.179 0.00 0.00 +ATOM 21987 H2 WAT X6633 77.376 39.154 5.707 0.00 0.00 +ATOM 21988 O WAT X6634 35.014 20.100 10.887 0.00 0.00 +ATOM 21989 H1 WAT X6634 34.859 20.882 10.358 0.00 0.00 +ATOM 21990 H2 WAT X6634 34.949 20.405 11.792 0.00 0.00 +ATOM 21991 O WAT X6635 28.756 35.566 51.567 0.00 0.00 +ATOM 21992 H1 WAT X6635 29.112 34.681 51.648 0.00 0.00 +ATOM 21993 H2 WAT X6635 29.197 36.065 52.254 0.00 0.00 +ATOM 21994 O WAT X6636 15.063 40.790 42.257 0.00 0.00 +ATOM 21995 H1 WAT X6636 15.237 40.828 41.317 0.00 0.00 +ATOM 21996 H2 WAT X6636 15.922 40.906 42.664 0.00 0.00 +ATOM 21997 O WAT X6637 43.684 29.664 50.268 0.00 0.00 +ATOM 21998 H1 WAT X6637 43.919 29.142 49.502 0.00 0.00 +ATOM 21999 H2 WAT X6637 42.742 29.530 50.370 0.00 0.00 +ATOM 22000 O WAT X6638 27.186 55.888 25.996 0.00 0.00 +ATOM 22001 H1 WAT X6638 26.441 55.568 25.488 0.00 0.00 +ATOM 22002 H2 WAT X6638 27.896 55.961 25.358 0.00 0.00 +ATOM 22003 O WAT X6639 46.237 19.738 8.616 0.00 0.00 +ATOM 22004 H1 WAT X6639 46.305 20.158 9.474 0.00 0.00 +ATOM 22005 H2 WAT X6639 45.930 20.432 8.033 0.00 0.00 +ATOM 22006 O WAT X6640 73.795 43.506 39.962 0.00 0.00 +ATOM 22007 H1 WAT X6640 74.245 43.684 40.788 0.00 0.00 +ATOM 22008 H2 WAT X6640 74.499 43.397 39.324 0.00 0.00 +ATOM 22009 O WAT X6641 15.270 27.231 50.733 0.00 0.00 +ATOM 22010 H1 WAT X6641 15.748 27.376 51.550 0.00 0.00 +ATOM 22011 H2 WAT X6641 15.390 26.300 50.547 0.00 0.00 +ATOM 22012 O WAT X6642 17.132 19.559 44.162 0.00 0.00 +ATOM 22013 H1 WAT X6642 16.561 20.263 43.853 0.00 0.00 +ATOM 22014 H2 WAT X6642 16.737 19.275 44.987 0.00 0.00 +ATOM 22015 O WAT X6643 49.517 15.559 12.144 0.00 0.00 +ATOM 22016 H1 WAT X6643 49.045 14.744 11.976 0.00 0.00 +ATOM 22017 H2 WAT X6643 50.265 15.530 11.548 0.00 0.00 +ATOM 22018 O WAT X6644 8.471 47.652 38.135 0.00 0.00 +ATOM 22019 H1 WAT X6644 7.981 47.966 37.376 0.00 0.00 +ATOM 22020 H2 WAT X6644 8.471 46.699 38.042 0.00 0.00 +ATOM 22021 O WAT X6645 18.598 49.184 13.704 0.00 0.00 +ATOM 22022 H1 WAT X6645 18.202 49.952 14.116 0.00 0.00 +ATOM 22023 H2 WAT X6645 19.131 48.790 14.394 0.00 0.00 +ATOM 22024 O WAT X6646 14.239 23.363 3.982 0.00 0.00 +ATOM 22025 H1 WAT X6646 13.464 22.963 3.589 0.00 0.00 +ATOM 22026 H2 WAT X6646 14.877 23.399 3.270 0.00 0.00 +ATOM 22027 O WAT X6647 37.742 53.072 18.641 0.00 0.00 +ATOM 22028 H1 WAT X6647 38.472 53.541 18.238 0.00 0.00 +ATOM 22029 H2 WAT X6647 37.546 53.571 19.434 0.00 0.00 +ATOM 22030 O WAT X6648 6.617 60.876 2.514 0.00 0.00 +ATOM 22031 H1 WAT X6648 6.241 61.752 2.600 0.00 0.00 +ATOM 22032 H2 WAT X6648 6.121 60.471 1.803 0.00 0.00 +ATOM 22033 O WAT X6649 75.038 11.882 22.077 0.00 0.00 +ATOM 22034 H1 WAT X6649 75.910 11.713 22.434 0.00 0.00 +ATOM 22035 H2 WAT X6649 75.199 12.190 21.185 0.00 0.00 +ATOM 22036 O WAT X6650 54.911 11.470 44.427 0.00 0.00 +ATOM 22037 H1 WAT X6650 55.010 11.568 45.374 0.00 0.00 +ATOM 22038 H2 WAT X6650 55.784 11.643 44.076 0.00 0.00 +ATOM 22039 O WAT X6651 28.156 10.436 17.688 0.00 0.00 +ATOM 22040 H1 WAT X6651 27.557 11.081 17.312 0.00 0.00 +ATOM 22041 H2 WAT X6651 28.893 10.411 17.078 0.00 0.00 +ATOM 22042 O WAT X6652 0.434 48.538 18.592 0.00 0.00 +ATOM 22043 H1 WAT X6652 0.199 47.618 18.718 0.00 0.00 +ATOM 22044 H2 WAT X6652 1.357 48.585 18.842 0.00 0.00 +ATOM 22045 O WAT X6653 2.268 1.208 13.445 0.00 0.00 +ATOM 22046 H1 WAT X6653 2.211 1.234 12.489 0.00 0.00 +ATOM 22047 H2 WAT X6653 1.357 1.217 13.739 0.00 0.00 +ATOM 22048 O WAT X6654 58.190 57.707 4.708 0.00 0.00 +ATOM 22049 H1 WAT X6654 57.689 57.817 3.900 0.00 0.00 +ATOM 22050 H2 WAT X6654 57.986 58.486 5.224 0.00 0.00 +ATOM 22051 O WAT X6655 61.543 16.370 25.069 0.00 0.00 +ATOM 22052 H1 WAT X6655 61.039 15.591 25.305 0.00 0.00 +ATOM 22053 H2 WAT X6655 62.214 16.435 25.748 0.00 0.00 +ATOM 22054 O WAT X6656 30.653 19.575 19.651 0.00 0.00 +ATOM 22055 H1 WAT X6656 31.354 19.083 20.079 0.00 0.00 +ATOM 22056 H2 WAT X6656 30.639 20.417 20.105 0.00 0.00 +ATOM 22057 O WAT X6657 2.743 14.286 34.133 0.00 0.00 +ATOM 22058 H1 WAT X6657 2.488 13.433 33.781 0.00 0.00 +ATOM 22059 H2 WAT X6657 2.508 14.242 35.060 0.00 0.00 +ATOM 22060 O WAT X6658 16.314 12.578 8.500 0.00 0.00 +ATOM 22061 H1 WAT X6658 15.498 12.767 8.038 0.00 0.00 +ATOM 22062 H2 WAT X6658 16.986 13.041 8.000 0.00 0.00 +ATOM 22063 O WAT X6659 49.007 5.893 31.548 0.00 0.00 +ATOM 22064 H1 WAT X6659 49.626 5.175 31.682 0.00 0.00 +ATOM 22065 H2 WAT X6659 49.476 6.512 30.989 0.00 0.00 +ATOM 22066 O WAT X6660 0.531 49.423 52.684 0.00 0.00 +ATOM 22067 H1 WAT X6660 0.685 50.350 52.505 0.00 0.00 +ATOM 22068 H2 WAT X6660 1.047 48.962 52.022 0.00 0.00 +ATOM 22069 O WAT X6661 4.441 33.112 38.799 0.00 0.00 +ATOM 22070 H1 WAT X6661 4.520 32.240 39.187 0.00 0.00 +ATOM 22071 H2 WAT X6661 4.281 32.947 37.870 0.00 0.00 +ATOM 22072 O WAT X6662 74.379 17.839 30.076 0.00 0.00 +ATOM 22073 H1 WAT X6662 74.255 18.779 30.207 0.00 0.00 +ATOM 22074 H2 WAT X6662 73.655 17.580 29.506 0.00 0.00 +ATOM 22075 O WAT X6663 35.286 54.154 49.143 0.00 0.00 +ATOM 22076 H1 WAT X6663 35.534 54.798 48.481 0.00 0.00 +ATOM 22077 H2 WAT X6663 34.528 53.705 48.768 0.00 0.00 +ATOM 22078 O WAT X6664 12.390 47.770 46.080 0.00 0.00 +ATOM 22079 H1 WAT X6664 13.158 47.973 46.614 0.00 0.00 +ATOM 22080 H2 WAT X6664 12.085 48.621 45.766 0.00 0.00 +ATOM 22081 O WAT X6665 11.033 53.170 45.270 0.00 0.00 +ATOM 22082 H1 WAT X6665 10.848 52.509 45.937 0.00 0.00 +ATOM 22083 H2 WAT X6665 11.618 52.731 44.653 0.00 0.00 +ATOM 22084 O WAT X6666 59.101 2.458 0.828 0.00 0.00 +ATOM 22085 H1 WAT X6666 59.113 1.845 1.563 0.00 0.00 +ATOM 22086 H2 WAT X6666 58.628 1.995 0.137 0.00 0.00 +ATOM 22087 O WAT X6667 30.596 4.934 52.318 0.00 0.00 +ATOM 22088 H1 WAT X6667 30.088 4.399 51.709 0.00 0.00 +ATOM 22089 H2 WAT X6667 29.941 5.454 52.784 0.00 0.00 +ATOM 22090 O WAT X6668 9.565 46.962 29.071 0.00 0.00 +ATOM 22091 H1 WAT X6668 9.141 47.249 29.879 0.00 0.00 +ATOM 22092 H2 WAT X6668 9.554 46.006 29.121 0.00 0.00 +ATOM 22093 O WAT X6669 7.666 27.140 1.879 0.00 0.00 +ATOM 22094 H1 WAT X6669 7.083 27.278 2.626 0.00 0.00 +ATOM 22095 H2 WAT X6669 7.128 26.675 1.238 0.00 0.00 +ATOM 22096 O WAT X6670 54.589 35.315 9.907 0.00 0.00 +ATOM 22097 H1 WAT X6670 55.233 34.676 9.600 0.00 0.00 +ATOM 22098 H2 WAT X6670 54.348 35.806 9.122 0.00 0.00 +ATOM 22099 O WAT X6671 20.038 13.438 28.997 0.00 0.00 +ATOM 22100 H1 WAT X6671 20.284 13.792 29.852 0.00 0.00 +ATOM 22101 H2 WAT X6671 19.239 12.939 29.166 0.00 0.00 +ATOM 22102 O WAT X6672 34.074 47.011 13.328 0.00 0.00 +ATOM 22103 H1 WAT X6672 33.469 47.727 13.137 0.00 0.00 +ATOM 22104 H2 WAT X6672 33.738 46.271 12.823 0.00 0.00 +ATOM 22105 O WAT X6673 22.577 11.713 7.161 0.00 0.00 +ATOM 22106 H1 WAT X6673 23.135 10.936 7.161 0.00 0.00 +ATOM 22107 H2 WAT X6673 22.876 12.222 7.915 0.00 0.00 +ATOM 22108 O WAT X6674 27.747 50.258 34.191 0.00 0.00 +ATOM 22109 H1 WAT X6674 28.223 49.749 34.847 0.00 0.00 +ATOM 22110 H2 WAT X6674 26.923 50.489 34.619 0.00 0.00 +ATOM 22111 O WAT X6675 7.064 6.141 15.965 0.00 0.00 +ATOM 22112 H1 WAT X6675 7.145 5.570 16.730 0.00 0.00 +ATOM 22113 H2 WAT X6675 7.940 6.509 15.847 0.00 0.00 +ATOM 22114 O WAT X6676 14.809 33.385 13.714 0.00 0.00 +ATOM 22115 H1 WAT X6676 15.365 33.028 14.406 0.00 0.00 +ATOM 22116 H2 WAT X6676 14.068 32.780 13.665 0.00 0.00 +ATOM 22117 O WAT X6677 3.846 16.669 39.519 0.00 0.00 +ATOM 22118 H1 WAT X6677 4.201 17.363 40.075 0.00 0.00 +ATOM 22119 H2 WAT X6677 3.922 15.875 40.048 0.00 0.00 +ATOM 22120 O WAT X6678 12.474 61.030 7.800 0.00 0.00 +ATOM 22121 H1 WAT X6678 12.308 60.142 8.116 0.00 0.00 +ATOM 22122 H2 WAT X6678 13.418 61.054 7.642 0.00 0.00 +ATOM 22123 O WAT X6679 43.579 58.266 5.898 0.00 0.00 +ATOM 22124 H1 WAT X6679 43.549 59.198 6.117 0.00 0.00 +ATOM 22125 H2 WAT X6679 44.244 57.904 6.482 0.00 0.00 +ATOM 22126 O WAT X6680 8.569 1.046 39.135 0.00 0.00 +ATOM 22127 H1 WAT X6680 8.805 1.973 39.171 0.00 0.00 +ATOM 22128 H2 WAT X6680 7.612 1.041 39.175 0.00 0.00 +ATOM 22129 O WAT X6681 61.236 52.545 55.811 0.00 0.00 +ATOM 22130 H1 WAT X6681 61.378 51.599 55.759 0.00 0.00 +ATOM 22131 H2 WAT X6681 61.328 52.749 56.741 0.00 0.00 +ATOM 22132 O WAT X6682 26.357 12.006 53.382 0.00 0.00 +ATOM 22133 H1 WAT X6682 26.949 11.412 53.844 0.00 0.00 +ATOM 22134 H2 WAT X6682 26.605 11.922 52.461 0.00 0.00 +ATOM 22135 O WAT X6683 59.880 1.207 19.629 0.00 0.00 +ATOM 22136 H1 WAT X6683 59.752 1.002 18.703 0.00 0.00 +ATOM 22137 H2 WAT X6683 59.935 0.353 20.058 0.00 0.00 +ATOM 22138 O WAT X6684 2.240 11.713 58.460 0.00 0.00 +ATOM 22139 H1 WAT X6684 2.836 12.236 57.924 0.00 0.00 +ATOM 22140 H2 WAT X6684 2.029 10.955 57.914 0.00 0.00 +ATOM 22141 O WAT X6685 32.208 11.988 25.571 0.00 0.00 +ATOM 22142 H1 WAT X6685 32.974 11.459 25.346 0.00 0.00 +ATOM 22143 H2 WAT X6685 32.526 12.601 26.234 0.00 0.00 +ATOM 22144 O WAT X6686 43.418 56.035 42.720 0.00 0.00 +ATOM 22145 H1 WAT X6686 44.019 55.639 42.089 0.00 0.00 +ATOM 22146 H2 WAT X6686 43.480 55.476 43.494 0.00 0.00 +ATOM 22147 O WAT X6687 35.613 5.541 6.093 0.00 0.00 +ATOM 22148 H1 WAT X6687 35.671 4.911 5.375 0.00 0.00 +ATOM 22149 H2 WAT X6687 35.106 6.269 5.733 0.00 0.00 +ATOM 22150 O WAT X6688 75.239 62.165 9.632 0.00 0.00 +ATOM 22151 H1 WAT X6688 75.258 61.914 8.709 0.00 0.00 +ATOM 22152 H2 WAT X6688 75.354 61.342 10.107 0.00 0.00 +ATOM 22153 O WAT X6689 15.874 4.547 43.087 0.00 0.00 +ATOM 22154 H1 WAT X6689 15.213 4.476 43.775 0.00 0.00 +ATOM 22155 H2 WAT X6689 16.051 5.486 43.020 0.00 0.00 +ATOM 22156 O WAT X6690 40.201 6.429 30.062 0.00 0.00 +ATOM 22157 H1 WAT X6690 39.609 5.690 30.201 0.00 0.00 +ATOM 22158 H2 WAT X6690 40.637 6.234 29.232 0.00 0.00 +ATOM 22159 O WAT X6691 39.024 26.277 3.972 0.00 0.00 +ATOM 22160 H1 WAT X6691 39.042 27.231 3.895 0.00 0.00 +ATOM 22161 H2 WAT X6691 38.538 25.984 3.201 0.00 0.00 +ATOM 22162 O WAT X6692 71.261 36.569 50.974 0.00 0.00 +ATOM 22163 H1 WAT X6692 70.435 36.274 51.356 0.00 0.00 +ATOM 22164 H2 WAT X6692 71.803 36.804 51.728 0.00 0.00 +ATOM 22165 O WAT X6693 57.921 39.719 42.835 0.00 0.00 +ATOM 22166 H1 WAT X6693 58.440 39.038 43.261 0.00 0.00 +ATOM 22167 H2 WAT X6693 57.274 39.975 43.492 0.00 0.00 +ATOM 22168 O WAT X6694 3.548 24.722 57.404 0.00 0.00 +ATOM 22169 H1 WAT X6694 3.100 24.975 56.597 0.00 0.00 +ATOM 22170 H2 WAT X6694 2.976 24.065 57.800 0.00 0.00 +ATOM 22171 O WAT X6695 76.159 -0.339 26.238 0.00 0.00 +ATOM 22172 H1 WAT X6695 75.221 -0.148 26.243 0.00 0.00 +ATOM 22173 H2 WAT X6695 76.579 0.520 26.211 0.00 0.00 +ATOM 22174 O WAT X6696 31.292 54.416 13.603 0.00 0.00 +ATOM 22175 H1 WAT X6696 31.558 54.789 14.443 0.00 0.00 +ATOM 22176 H2 WAT X6696 30.360 54.225 13.709 0.00 0.00 +ATOM 22177 O WAT X6697 49.434 31.798 57.919 0.00 0.00 +ATOM 22178 H1 WAT X6697 49.565 30.886 58.178 0.00 0.00 +ATOM 22179 H2 WAT X6697 50.164 31.986 57.328 0.00 0.00 +ATOM 22180 O WAT X6698 63.299 8.437 21.589 0.00 0.00 +ATOM 22181 H1 WAT X6698 62.992 9.222 22.043 0.00 0.00 +ATOM 22182 H2 WAT X6698 62.520 8.094 21.151 0.00 0.00 +ATOM 22183 O WAT X6699 13.496 10.891 44.122 0.00 0.00 +ATOM 22184 H1 WAT X6699 14.314 11.188 44.521 0.00 0.00 +ATOM 22185 H2 WAT X6699 13.701 10.022 43.777 0.00 0.00 +ATOM 22186 O WAT X6700 69.548 0.770 22.974 0.00 0.00 +ATOM 22187 H1 WAT X6700 70.405 0.692 23.392 0.00 0.00 +ATOM 22188 H2 WAT X6700 69.371 1.711 22.965 0.00 0.00 +ATOM 22189 O WAT X6701 0.537 4.505 15.033 0.00 0.00 +ATOM 22190 H1 WAT X6701 0.033 3.715 15.225 0.00 0.00 +ATOM 22191 H2 WAT X6701 0.729 4.445 14.097 0.00 0.00 +ATOM 22192 O WAT X6702 44.370 21.646 7.609 0.00 0.00 +ATOM 22193 H1 WAT X6702 43.966 21.724 8.474 0.00 0.00 +ATOM 22194 H2 WAT X6702 44.314 22.527 7.239 0.00 0.00 +ATOM 22195 O WAT X6703 33.799 36.492 6.183 0.00 0.00 +ATOM 22196 H1 WAT X6703 33.851 35.557 6.380 0.00 0.00 +ATOM 22197 H2 WAT X6703 34.484 36.638 5.530 0.00 0.00 +ATOM 22198 O WAT X6704 28.045 60.668 54.871 0.00 0.00 +ATOM 22199 H1 WAT X6704 28.130 60.697 55.824 0.00 0.00 +ATOM 22200 H2 WAT X6704 27.821 61.565 54.624 0.00 0.00 +ATOM 22201 O WAT X6705 71.672 48.074 4.304 0.00 0.00 +ATOM 22202 H1 WAT X6705 71.522 47.386 4.952 0.00 0.00 +ATOM 22203 H2 WAT X6705 71.351 47.703 3.482 0.00 0.00 +ATOM 22204 O WAT X6706 12.079 52.351 15.991 0.00 0.00 +ATOM 22205 H1 WAT X6706 11.625 52.719 15.232 0.00 0.00 +ATOM 22206 H2 WAT X6706 12.459 51.533 15.669 0.00 0.00 +ATOM 22207 O WAT X6707 53.960 9.869 3.047 0.00 0.00 +ATOM 22208 H1 WAT X6707 53.758 9.943 2.114 0.00 0.00 +ATOM 22209 H2 WAT X6707 54.740 10.411 3.167 0.00 0.00 +ATOM 22210 O WAT X6708 56.454 5.467 9.040 0.00 0.00 +ATOM 22211 H1 WAT X6708 56.233 5.634 9.956 0.00 0.00 +ATOM 22212 H2 WAT X6708 55.753 4.896 8.725 0.00 0.00 +ATOM 22213 O WAT X6709 13.945 8.735 7.900 0.00 0.00 +ATOM 22214 H1 WAT X6709 13.191 9.310 8.027 0.00 0.00 +ATOM 22215 H2 WAT X6709 14.659 9.170 8.367 0.00 0.00 +ATOM 22216 O WAT X6710 48.696 38.385 43.580 0.00 0.00 +ATOM 22217 H1 WAT X6710 49.571 38.161 43.894 0.00 0.00 +ATOM 22218 H2 WAT X6710 48.847 38.830 42.746 0.00 0.00 +ATOM 22219 O WAT X6711 22.253 14.817 6.981 0.00 0.00 +ATOM 22220 H1 WAT X6711 22.687 15.285 6.267 0.00 0.00 +ATOM 22221 H2 WAT X6711 22.657 13.949 6.979 0.00 0.00 +ATOM 22222 O WAT X6712 27.793 11.196 30.001 0.00 0.00 +ATOM 22223 H1 WAT X6712 28.216 10.412 30.351 0.00 0.00 +ATOM 22224 H2 WAT X6712 27.396 11.615 30.764 0.00 0.00 +ATOM 22225 O WAT X6713 42.646 7.466 30.822 0.00 0.00 +ATOM 22226 H1 WAT X6713 42.711 7.776 31.725 0.00 0.00 +ATOM 22227 H2 WAT X6713 41.723 7.235 30.714 0.00 0.00 +ATOM 22228 O WAT X6714 77.314 26.930 49.310 0.00 0.00 +ATOM 22229 H1 WAT X6714 77.191 26.581 48.428 0.00 0.00 +ATOM 22230 H2 WAT X6714 76.527 27.449 49.475 0.00 0.00 +ATOM 22231 O WAT X6715 34.870 19.763 35.387 0.00 0.00 +ATOM 22232 H1 WAT X6715 34.789 20.127 34.505 0.00 0.00 +ATOM 22233 H2 WAT X6715 34.339 20.341 35.935 0.00 0.00 +ATOM 22234 O WAT X6716 54.231 16.523 19.080 0.00 0.00 +ATOM 22235 H1 WAT X6716 54.902 16.726 18.428 0.00 0.00 +ATOM 22236 H2 WAT X6716 53.767 15.768 18.720 0.00 0.00 +ATOM 22237 O WAT X6717 56.053 41.142 49.561 0.00 0.00 +ATOM 22238 H1 WAT X6717 55.307 41.010 50.147 0.00 0.00 +ATOM 22239 H2 WAT X6717 55.909 42.010 49.183 0.00 0.00 +ATOM 22240 O WAT X6718 60.323 33.998 10.932 0.00 0.00 +ATOM 22241 H1 WAT X6718 60.524 34.934 10.962 0.00 0.00 +ATOM 22242 H2 WAT X6718 59.671 33.871 11.621 0.00 0.00 +ATOM 22243 O WAT X6719 59.280 28.302 58.417 0.00 0.00 +ATOM 22244 H1 WAT X6719 59.137 27.371 58.584 0.00 0.00 +ATOM 22245 H2 WAT X6719 60.079 28.331 57.889 0.00 0.00 +ATOM 22246 O WAT X6720 74.615 3.647 42.186 0.00 0.00 +ATOM 22247 H1 WAT X6720 75.046 3.693 41.332 0.00 0.00 +ATOM 22248 H2 WAT X6720 75.111 2.986 42.669 0.00 0.00 +ATOM 22249 O WAT X6721 33.354 35.606 45.805 0.00 0.00 +ATOM 22250 H1 WAT X6721 33.562 35.851 46.706 0.00 0.00 +ATOM 22251 H2 WAT X6721 32.701 34.911 45.890 0.00 0.00 +ATOM 22252 O WAT X6722 42.399 11.476 57.604 0.00 0.00 +ATOM 22253 H1 WAT X6722 41.724 12.129 57.789 0.00 0.00 +ATOM 22254 H2 WAT X6722 42.773 11.270 58.461 0.00 0.00 +ATOM 22255 O WAT X6723 22.832 55.384 25.805 0.00 0.00 +ATOM 22256 H1 WAT X6723 22.021 55.697 25.405 0.00 0.00 +ATOM 22257 H2 WAT X6723 22.862 55.817 26.658 0.00 0.00 +ATOM 22258 O WAT X6724 5.283 10.131 22.710 0.00 0.00 +ATOM 22259 H1 WAT X6724 4.563 9.507 22.609 0.00 0.00 +ATOM 22260 H2 WAT X6724 5.400 10.504 21.837 0.00 0.00 +ATOM 22261 O WAT X6725 45.522 23.283 23.108 0.00 0.00 +ATOM 22262 H1 WAT X6725 46.165 22.711 23.527 0.00 0.00 +ATOM 22263 H2 WAT X6725 45.398 24.000 23.730 0.00 0.00 +ATOM 22264 O WAT X6726 65.991 13.278 37.930 0.00 0.00 +ATOM 22265 H1 WAT X6726 65.866 12.432 37.500 0.00 0.00 +ATOM 22266 H2 WAT X6726 66.747 13.663 37.486 0.00 0.00 +ATOM 22267 O WAT X6727 20.362 54.429 30.668 0.00 0.00 +ATOM 22268 H1 WAT X6727 21.280 54.228 30.854 0.00 0.00 +ATOM 22269 H2 WAT X6727 19.885 54.095 31.428 0.00 0.00 +ATOM 22270 O WAT X6728 9.537 44.058 32.192 0.00 0.00 +ATOM 22271 H1 WAT X6728 10.166 43.614 31.623 0.00 0.00 +ATOM 22272 H2 WAT X6728 8.820 43.432 32.291 0.00 0.00 +ATOM 22273 O WAT X6729 70.746 26.171 52.264 0.00 0.00 +ATOM 22274 H1 WAT X6729 69.874 25.793 52.382 0.00 0.00 +ATOM 22275 H2 WAT X6729 71.338 25.419 52.277 0.00 0.00 +ATOM 22276 O WAT X6730 29.768 31.619 42.431 0.00 0.00 +ATOM 22277 H1 WAT X6730 28.925 31.648 42.883 0.00 0.00 +ATOM 22278 H2 WAT X6730 29.600 32.028 41.582 0.00 0.00 +ATOM 22279 O WAT X6731 0.733 2.037 44.687 0.00 0.00 +ATOM 22280 H1 WAT X6731 0.776 2.992 44.646 0.00 0.00 +ATOM 22281 H2 WAT X6731 0.986 1.824 45.585 0.00 0.00 +ATOM 22282 O WAT X6732 44.088 17.560 11.075 0.00 0.00 +ATOM 22283 H1 WAT X6732 44.366 17.710 10.172 0.00 0.00 +ATOM 22284 H2 WAT X6732 43.195 17.904 11.112 0.00 0.00 +ATOM 22285 O WAT X6733 76.971 8.203 34.396 0.00 0.00 +ATOM 22286 H1 WAT X6733 77.751 8.024 34.921 0.00 0.00 +ATOM 22287 H2 WAT X6733 76.663 7.338 34.124 0.00 0.00 +ATOM 22288 O WAT X6734 28.796 19.538 42.071 0.00 0.00 +ATOM 22289 H1 WAT X6734 28.067 19.607 41.455 0.00 0.00 +ATOM 22290 H2 WAT X6734 29.332 20.312 41.896 0.00 0.00 +ATOM 22291 O WAT X6735 70.444 28.697 54.016 0.00 0.00 +ATOM 22292 H1 WAT X6735 70.797 28.034 53.423 0.00 0.00 +ATOM 22293 H2 WAT X6735 70.425 29.499 53.494 0.00 0.00 +ATOM 22294 O WAT X6736 75.884 38.229 16.264 0.00 0.00 +ATOM 22295 H1 WAT X6736 75.606 37.881 15.417 0.00 0.00 +ATOM 22296 H2 WAT X6736 75.732 37.512 16.879 0.00 0.00 +ATOM 22297 O WAT X6737 34.911 29.642 37.732 0.00 0.00 +ATOM 22298 H1 WAT X6737 34.469 29.935 38.529 0.00 0.00 +ATOM 22299 H2 WAT X6737 35.807 29.970 37.821 0.00 0.00 +ATOM 22300 O WAT X6738 1.746 12.941 43.651 0.00 0.00 +ATOM 22301 H1 WAT X6738 1.625 13.640 43.008 0.00 0.00 +ATOM 22302 H2 WAT X6738 2.545 12.494 43.371 0.00 0.00 +ATOM 22303 O WAT X6739 64.333 51.375 56.147 0.00 0.00 +ATOM 22304 H1 WAT X6739 64.001 52.141 55.680 0.00 0.00 +ATOM 22305 H2 WAT X6739 65.272 51.536 56.235 0.00 0.00 +ATOM 22306 O WAT X6740 35.891 48.006 7.619 0.00 0.00 +ATOM 22307 H1 WAT X6740 36.771 47.798 7.305 0.00 0.00 +ATOM 22308 H2 WAT X6740 35.619 47.227 8.103 0.00 0.00 +ATOM 22309 O WAT X6741 65.585 8.360 41.186 0.00 0.00 +ATOM 22310 H1 WAT X6741 65.172 7.950 41.946 0.00 0.00 +ATOM 22311 H2 WAT X6741 66.369 8.781 41.538 0.00 0.00 +ATOM 22312 O WAT X6742 69.712 11.089 35.745 0.00 0.00 +ATOM 22313 H1 WAT X6742 69.543 10.216 35.392 0.00 0.00 +ATOM 22314 H2 WAT X6742 69.833 11.641 34.973 0.00 0.00 +ATOM 22315 O WAT X6743 35.004 55.183 25.548 0.00 0.00 +ATOM 22316 H1 WAT X6743 34.620 56.049 25.685 0.00 0.00 +ATOM 22317 H2 WAT X6743 35.030 54.791 26.421 0.00 0.00 +ATOM 22318 O WAT X6744 70.296 31.766 3.309 0.00 0.00 +ATOM 22319 H1 WAT X6744 69.969 31.188 2.620 0.00 0.00 +ATOM 22320 H2 WAT X6744 69.862 32.604 3.145 0.00 0.00 +ATOM 22321 O WAT X6745 48.267 62.681 9.338 0.00 0.00 +ATOM 22322 H1 WAT X6745 48.739 62.109 9.943 0.00 0.00 +ATOM 22323 H2 WAT X6745 48.851 63.430 9.212 0.00 0.00 +ATOM 22324 O WAT X6746 44.327 24.638 6.747 0.00 0.00 +ATOM 22325 H1 WAT X6746 44.688 24.749 7.626 0.00 0.00 +ATOM 22326 H2 WAT X6746 44.885 25.179 6.189 0.00 0.00 +ATOM 22327 O WAT X6747 6.269 52.700 8.270 0.00 0.00 +ATOM 22328 H1 WAT X6747 5.699 51.980 7.998 0.00 0.00 +ATOM 22329 H2 WAT X6747 5.666 53.400 8.522 0.00 0.00 +ATOM 22330 O WAT X6748 12.101 11.125 8.076 0.00 0.00 +ATOM 22331 H1 WAT X6748 12.297 11.884 7.526 0.00 0.00 +ATOM 22332 H2 WAT X6748 11.145 11.101 8.119 0.00 0.00 +ATOM 22333 O WAT X6749 51.178 24.405 3.906 0.00 0.00 +ATOM 22334 H1 WAT X6749 50.899 23.770 4.566 0.00 0.00 +ATOM 22335 H2 WAT X6749 51.470 23.871 3.168 0.00 0.00 +ATOM 22336 O WAT X6750 18.383 8.669 9.359 0.00 0.00 +ATOM 22337 H1 WAT X6750 19.079 9.135 8.896 0.00 0.00 +ATOM 22338 H2 WAT X6750 18.695 7.766 9.414 0.00 0.00 +ATOM 22339 O WAT X6751 26.928 9.761 39.764 0.00 0.00 +ATOM 22340 H1 WAT X6751 26.482 10.447 40.261 0.00 0.00 +ATOM 22341 H2 WAT X6751 26.400 9.657 38.972 0.00 0.00 +ATOM 22342 O WAT X6752 47.286 14.394 2.075 0.00 0.00 +ATOM 22343 H1 WAT X6752 46.886 14.881 1.355 0.00 0.00 +ATOM 22344 H2 WAT X6752 47.670 15.067 2.636 0.00 0.00 +ATOM 22345 O WAT X6753 60.156 49.642 10.651 0.00 0.00 +ATOM 22346 H1 WAT X6753 60.064 50.386 11.246 0.00 0.00 +ATOM 22347 H2 WAT X6753 59.609 48.957 11.037 0.00 0.00 +ATOM 22348 O WAT X6754 0.721 11.066 4.451 0.00 0.00 +ATOM 22349 H1 WAT X6754 0.340 10.685 3.660 0.00 0.00 +ATOM 22350 H2 WAT X6754 0.225 11.873 4.592 0.00 0.00 +ATOM 22351 O WAT X6755 23.505 18.604 32.313 0.00 0.00 +ATOM 22352 H1 WAT X6755 24.314 18.751 32.804 0.00 0.00 +ATOM 22353 H2 WAT X6755 23.796 18.443 31.415 0.00 0.00 +ATOM 22354 O WAT X6756 51.484 13.367 53.068 0.00 0.00 +ATOM 22355 H1 WAT X6756 50.635 12.928 53.107 0.00 0.00 +ATOM 22356 H2 WAT X6756 51.334 14.131 52.511 0.00 0.00 +ATOM 22357 O WAT X6757 69.202 21.111 20.608 0.00 0.00 +ATOM 22358 H1 WAT X6757 69.045 21.462 19.731 0.00 0.00 +ATOM 22359 H2 WAT X6757 70.154 21.128 20.706 0.00 0.00 +ATOM 22360 O WAT X6758 12.375 19.636 13.485 0.00 0.00 +ATOM 22361 H1 WAT X6758 12.677 18.883 13.992 0.00 0.00 +ATOM 22362 H2 WAT X6758 11.627 19.973 13.979 0.00 0.00 +ATOM 22363 O WAT X6759 13.082 16.016 27.348 0.00 0.00 +ATOM 22364 H1 WAT X6759 13.874 15.678 26.932 0.00 0.00 +ATOM 22365 H2 WAT X6759 13.373 16.319 28.208 0.00 0.00 +ATOM 22366 O WAT X6760 16.179 35.591 45.769 0.00 0.00 +ATOM 22367 H1 WAT X6760 15.713 36.390 45.522 0.00 0.00 +ATOM 22368 H2 WAT X6760 16.964 35.594 45.222 0.00 0.00 +ATOM 22369 O WAT X6761 53.060 32.281 49.344 0.00 0.00 +ATOM 22370 H1 WAT X6761 52.413 32.899 49.684 0.00 0.00 +ATOM 22371 H2 WAT X6761 53.711 32.832 48.909 0.00 0.00 +ATOM 22372 O WAT X6762 56.880 28.134 9.024 0.00 0.00 +ATOM 22373 H1 WAT X6762 56.177 28.608 8.578 0.00 0.00 +ATOM 22374 H2 WAT X6762 57.664 28.333 8.513 0.00 0.00 +ATOM 22375 O WAT X6763 26.688 3.600 53.205 0.00 0.00 +ATOM 22376 H1 WAT X6763 26.770 4.290 53.863 0.00 0.00 +ATOM 22377 H2 WAT X6763 25.745 3.509 53.069 0.00 0.00 +ATOM 22378 O WAT X6764 17.629 55.598 43.451 0.00 0.00 +ATOM 22379 H1 WAT X6764 17.234 55.628 44.322 0.00 0.00 +ATOM 22380 H2 WAT X6764 17.035 55.050 42.937 0.00 0.00 +ATOM 22381 O WAT X6765 8.084 43.379 35.665 0.00 0.00 +ATOM 22382 H1 WAT X6765 8.265 42.702 35.013 0.00 0.00 +ATOM 22383 H2 WAT X6765 7.326 43.849 35.317 0.00 0.00 +ATOM 22384 O WAT X6766 63.258 35.611 50.217 0.00 0.00 +ATOM 22385 H1 WAT X6766 62.928 36.413 50.623 0.00 0.00 +ATOM 22386 H2 WAT X6766 64.196 35.615 50.406 0.00 0.00 +ATOM 22387 O WAT X6767 8.730 47.766 11.010 0.00 0.00 +ATOM 22388 H1 WAT X6767 8.112 47.188 10.563 0.00 0.00 +ATOM 22389 H2 WAT X6767 8.195 48.499 11.314 0.00 0.00 +ATOM 22390 O WAT X6768 74.657 57.117 15.696 0.00 0.00 +ATOM 22391 H1 WAT X6768 75.512 57.416 15.386 0.00 0.00 +ATOM 22392 H2 WAT X6768 74.841 56.295 16.152 0.00 0.00 +ATOM 22393 O WAT X6769 27.007 33.020 53.839 0.00 0.00 +ATOM 22394 H1 WAT X6769 26.073 32.811 53.863 0.00 0.00 +ATOM 22395 H2 WAT X6769 27.103 33.756 54.444 0.00 0.00 +ATOM 22396 O WAT X6770 75.468 49.624 40.635 0.00 0.00 +ATOM 22397 H1 WAT X6770 75.025 50.471 40.689 0.00 0.00 +ATOM 22398 H2 WAT X6770 76.378 49.815 40.865 0.00 0.00 +ATOM 22399 O WAT X6771 19.210 54.931 22.513 0.00 0.00 +ATOM 22400 H1 WAT X6771 19.246 54.270 21.822 0.00 0.00 +ATOM 22401 H2 WAT X6771 18.559 55.562 22.207 0.00 0.00 +ATOM 22402 O WAT X6772 8.318 4.637 6.609 0.00 0.00 +ATOM 22403 H1 WAT X6772 9.029 4.869 6.011 0.00 0.00 +ATOM 22404 H2 WAT X6772 8.268 3.682 6.562 0.00 0.00 +ATOM 22405 O WAT X6773 15.131 40.882 30.085 0.00 0.00 +ATOM 22406 H1 WAT X6773 14.741 40.620 29.252 0.00 0.00 +ATOM 22407 H2 WAT X6773 14.453 40.700 30.736 0.00 0.00 +ATOM 22408 O WAT X6774 77.321 56.821 49.368 0.00 0.00 +ATOM 22409 H1 WAT X6774 77.961 57.525 49.264 0.00 0.00 +ATOM 22410 H2 WAT X6774 76.626 57.035 48.746 0.00 0.00 +ATOM 22411 O WAT X6775 6.195 59.748 15.414 0.00 0.00 +ATOM 22412 H1 WAT X6775 6.289 58.822 15.637 0.00 0.00 +ATOM 22413 H2 WAT X6775 5.278 59.949 15.604 0.00 0.00 +ATOM 22414 O WAT X6776 -0.107 15.392 30.681 0.00 0.00 +ATOM 22415 H1 WAT X6776 -0.047 14.814 29.920 0.00 0.00 +ATOM 22416 H2 WAT X6776 0.798 15.648 30.860 0.00 0.00 +ATOM 22417 O WAT X6777 37.949 0.380 45.212 0.00 0.00 +ATOM 22418 H1 WAT X6777 38.603 -0.307 45.085 0.00 0.00 +ATOM 22419 H2 WAT X6777 37.659 0.601 44.327 0.00 0.00 +ATOM 22420 O WAT X6778 75.142 25.211 42.008 0.00 0.00 +ATOM 22421 H1 WAT X6778 75.482 24.630 41.328 0.00 0.00 +ATOM 22422 H2 WAT X6778 74.194 25.089 41.976 0.00 0.00 +ATOM 22423 O WAT X6779 6.097 15.203 37.555 0.00 0.00 +ATOM 22424 H1 WAT X6779 5.496 15.352 36.826 0.00 0.00 +ATOM 22425 H2 WAT X6779 6.714 15.934 37.510 0.00 0.00 +ATOM 22426 O WAT X6780 18.382 9.328 3.162 0.00 0.00 +ATOM 22427 H1 WAT X6780 19.088 9.111 3.772 0.00 0.00 +ATOM 22428 H2 WAT X6780 17.811 9.915 3.657 0.00 0.00 +ATOM 22429 O WAT X6781 17.197 30.169 52.939 0.00 0.00 +ATOM 22430 H1 WAT X6781 17.792 30.635 52.351 0.00 0.00 +ATOM 22431 H2 WAT X6781 17.215 30.678 53.750 0.00 0.00 +ATOM 22432 O WAT X6782 30.179 2.875 46.304 0.00 0.00 +ATOM 22433 H1 WAT X6782 29.522 2.820 46.999 0.00 0.00 +ATOM 22434 H2 WAT X6782 30.991 2.583 46.719 0.00 0.00 +ATOM 22435 O WAT X6783 60.704 43.466 53.737 0.00 0.00 +ATOM 22436 H1 WAT X6783 60.389 42.726 53.217 0.00 0.00 +ATOM 22437 H2 WAT X6783 60.643 43.165 54.644 0.00 0.00 +ATOM 22438 O WAT X6784 47.126 55.306 26.373 0.00 0.00 +ATOM 22439 H1 WAT X6784 47.044 55.523 27.302 0.00 0.00 +ATOM 22440 H2 WAT X6784 46.223 55.217 26.067 0.00 0.00 +ATOM 22441 O WAT X6785 57.772 36.158 54.169 0.00 0.00 +ATOM 22442 H1 WAT X6785 57.998 36.127 55.099 0.00 0.00 +ATOM 22443 H2 WAT X6785 56.819 36.070 54.151 0.00 0.00 +ATOM 22444 O WAT X6786 74.856 19.914 49.193 0.00 0.00 +ATOM 22445 H1 WAT X6786 75.071 19.014 49.437 0.00 0.00 +ATOM 22446 H2 WAT X6786 75.279 20.040 48.344 0.00 0.00 +ATOM 22447 O WAT X6787 49.378 46.428 11.480 0.00 0.00 +ATOM 22448 H1 WAT X6787 48.775 45.734 11.747 0.00 0.00 +ATOM 22449 H2 WAT X6787 49.669 46.821 12.303 0.00 0.00 +ATOM 22450 O WAT X6788 40.096 56.563 53.752 0.00 0.00 +ATOM 22451 H1 WAT X6788 41.050 56.497 53.781 0.00 0.00 +ATOM 22452 H2 WAT X6788 39.789 55.829 54.284 0.00 0.00 +ATOM 22453 O WAT X6789 14.346 56.179 18.680 0.00 0.00 +ATOM 22454 H1 WAT X6789 13.683 56.187 19.371 0.00 0.00 +ATOM 22455 H2 WAT X6789 13.907 55.774 17.932 0.00 0.00 +ATOM 22456 O WAT X6790 52.321 50.607 54.793 0.00 0.00 +ATOM 22457 H1 WAT X6790 53.081 50.054 54.979 0.00 0.00 +ATOM 22458 H2 WAT X6790 51.757 50.503 55.559 0.00 0.00 +ATOM 22459 O WAT X6791 63.799 20.368 36.536 0.00 0.00 +ATOM 22460 H1 WAT X6791 64.134 20.016 35.711 0.00 0.00 +ATOM 22461 H2 WAT X6791 64.176 19.801 37.209 0.00 0.00 +ATOM 22462 O WAT X6792 43.314 48.237 56.450 0.00 0.00 +ATOM 22463 H1 WAT X6792 43.112 47.341 56.720 0.00 0.00 +ATOM 22464 H2 WAT X6792 42.459 48.644 56.312 0.00 0.00 +ATOM 22465 O WAT X6793 0.179 52.491 52.939 0.00 0.00 +ATOM 22466 H1 WAT X6793 0.524 52.912 52.152 0.00 0.00 +ATOM 22467 H2 WAT X6793 -0.383 53.154 53.339 0.00 0.00 +ATOM 22468 O WAT X6794 18.877 36.067 12.188 0.00 0.00 +ATOM 22469 H1 WAT X6794 19.299 35.750 11.389 0.00 0.00 +ATOM 22470 H2 WAT X6794 18.034 36.411 11.893 0.00 0.00 +ATOM 22471 O WAT X6795 47.746 58.496 55.679 0.00 0.00 +ATOM 22472 H1 WAT X6795 48.470 57.934 55.403 0.00 0.00 +ATOM 22473 H2 WAT X6795 47.868 58.597 56.623 0.00 0.00 +ATOM 22474 O WAT X6796 46.742 35.581 2.434 0.00 0.00 +ATOM 22475 H1 WAT X6796 47.159 36.266 1.911 0.00 0.00 +ATOM 22476 H2 WAT X6796 47.165 34.771 2.149 0.00 0.00 +ATOM 22477 O WAT X6797 37.684 27.605 47.767 0.00 0.00 +ATOM 22478 H1 WAT X6797 38.467 27.982 47.366 0.00 0.00 +ATOM 22479 H2 WAT X6797 37.593 28.071 48.598 0.00 0.00 +ATOM 22480 O WAT X6798 12.236 0.477 21.684 0.00 0.00 +ATOM 22481 H1 WAT X6798 12.051 0.791 20.799 0.00 0.00 +ATOM 22482 H2 WAT X6798 12.585 1.241 22.141 0.00 0.00 +ATOM 22483 O WAT X6799 41.012 60.656 4.721 0.00 0.00 +ATOM 22484 H1 WAT X6799 41.116 61.215 5.491 0.00 0.00 +ATOM 22485 H2 WAT X6799 40.597 61.221 4.069 0.00 0.00 +ATOM 22486 O WAT X6800 20.236 3.887 25.783 0.00 0.00 +ATOM 22487 H1 WAT X6800 20.792 4.296 26.446 0.00 0.00 +ATOM 22488 H2 WAT X6800 20.814 3.762 25.030 0.00 0.00 +ATOM 22489 O WAT X6801 11.302 14.947 6.757 0.00 0.00 +ATOM 22490 H1 WAT X6801 11.585 15.855 6.654 0.00 0.00 +ATOM 22491 H2 WAT X6801 12.015 14.527 7.238 0.00 0.00 +ATOM 22492 O WAT X6802 54.728 33.894 4.901 0.00 0.00 +ATOM 22493 H1 WAT X6802 55.471 33.473 4.468 0.00 0.00 +ATOM 22494 H2 WAT X6802 54.509 34.635 4.336 0.00 0.00 +ATOM 22495 O WAT X6803 77.076 1.440 19.146 0.00 0.00 +ATOM 22496 H1 WAT X6803 76.348 0.852 18.944 0.00 0.00 +ATOM 22497 H2 WAT X6803 77.150 1.410 20.099 0.00 0.00 +ATOM 22498 O WAT X6804 16.048 47.091 26.358 0.00 0.00 +ATOM 22499 H1 WAT X6804 15.422 47.390 27.018 0.00 0.00 +ATOM 22500 H2 WAT X6804 15.885 46.151 26.282 0.00 0.00 +ATOM 22501 O WAT X6805 36.794 7.032 17.618 0.00 0.00 +ATOM 22502 H1 WAT X6805 37.199 7.895 17.706 0.00 0.00 +ATOM 22503 H2 WAT X6805 37.405 6.436 18.052 0.00 0.00 +ATOM 22504 O WAT X6806 36.650 27.384 52.022 0.00 0.00 +ATOM 22505 H1 WAT X6806 37.460 27.791 51.716 0.00 0.00 +ATOM 22506 H2 WAT X6806 36.640 27.550 52.965 0.00 0.00 +ATOM 22507 O WAT X6807 72.302 14.206 53.391 0.00 0.00 +ATOM 22508 H1 WAT X6807 72.532 13.672 54.152 0.00 0.00 +ATOM 22509 H2 WAT X6807 72.638 15.078 53.600 0.00 0.00 +ATOM 22510 O WAT X6808 58.361 48.377 48.403 0.00 0.00 +ATOM 22511 H1 WAT X6808 58.488 48.801 47.554 0.00 0.00 +ATOM 22512 H2 WAT X6808 58.088 49.085 48.986 0.00 0.00 +ATOM 22513 O WAT X6809 13.332 41.909 44.818 0.00 0.00 +ATOM 22514 H1 WAT X6809 12.970 41.246 44.230 0.00 0.00 +ATOM 22515 H2 WAT X6809 14.190 41.564 45.067 0.00 0.00 +ATOM 22516 O WAT X6810 73.276 26.956 50.723 0.00 0.00 +ATOM 22517 H1 WAT X6810 73.999 26.363 50.926 0.00 0.00 +ATOM 22518 H2 WAT X6810 72.585 26.710 51.337 0.00 0.00 +ATOM 22519 O WAT X6811 55.061 6.411 36.503 0.00 0.00 +ATOM 22520 H1 WAT X6811 55.488 5.954 35.779 0.00 0.00 +ATOM 22521 H2 WAT X6811 54.328 5.845 36.745 0.00 0.00 +ATOM 22522 O WAT X6812 5.018 59.710 22.755 0.00 0.00 +ATOM 22523 H1 WAT X6812 5.229 58.988 22.163 0.00 0.00 +ATOM 22524 H2 WAT X6812 5.069 59.326 23.630 0.00 0.00 +ATOM 22525 O WAT X6813 16.123 59.616 1.013 0.00 0.00 +ATOM 22526 H1 WAT X6813 16.998 59.527 1.391 0.00 0.00 +ATOM 22527 H2 WAT X6813 15.657 58.831 1.300 0.00 0.00 +ATOM 22528 O WAT X6814 73.351 18.571 40.970 0.00 0.00 +ATOM 22529 H1 WAT X6814 72.746 19.030 41.552 0.00 0.00 +ATOM 22530 H2 WAT X6814 74.220 18.812 41.289 0.00 0.00 +ATOM 22531 O WAT X6815 16.051 38.742 52.141 0.00 0.00 +ATOM 22532 H1 WAT X6815 16.105 39.694 52.224 0.00 0.00 +ATOM 22533 H2 WAT X6815 15.219 38.587 51.693 0.00 0.00 +ATOM 22534 O WAT X6816 65.822 38.082 10.933 0.00 0.00 +ATOM 22535 H1 WAT X6816 66.719 37.799 10.756 0.00 0.00 +ATOM 22536 H2 WAT X6816 65.296 37.288 10.836 0.00 0.00 +ATOM 22537 O WAT X6817 27.572 24.127 14.429 0.00 0.00 +ATOM 22538 H1 WAT X6817 27.114 24.434 13.647 0.00 0.00 +ATOM 22539 H2 WAT X6817 26.890 23.716 14.960 0.00 0.00 +ATOM 22540 O WAT X6818 23.321 12.834 9.447 0.00 0.00 +ATOM 22541 H1 WAT X6818 23.396 12.117 10.077 0.00 0.00 +ATOM 22542 H2 WAT X6818 24.006 13.451 9.705 0.00 0.00 +ATOM 22543 O WAT X6819 37.340 -0.065 33.687 0.00 0.00 +ATOM 22544 H1 WAT X6819 37.706 0.808 33.825 0.00 0.00 +ATOM 22545 H2 WAT X6819 36.404 0.037 33.862 0.00 0.00 +ATOM 22546 O WAT X6820 41.805 25.161 8.282 0.00 0.00 +ATOM 22547 H1 WAT X6820 42.578 24.903 8.783 0.00 0.00 +ATOM 22548 H2 WAT X6820 42.137 25.332 7.401 0.00 0.00 +ATOM 22549 O WAT X6821 22.715 11.126 3.824 0.00 0.00 +ATOM 22550 H1 WAT X6821 22.006 11.050 4.463 0.00 0.00 +ATOM 22551 H2 WAT X6821 23.477 11.387 4.341 0.00 0.00 +ATOM 22552 O WAT X6822 38.233 60.478 38.127 0.00 0.00 +ATOM 22553 H1 WAT X6822 39.050 60.022 38.329 0.00 0.00 +ATOM 22554 H2 WAT X6822 38.498 61.383 37.965 0.00 0.00 +ATOM 22555 O WAT X6823 59.465 37.085 42.991 0.00 0.00 +ATOM 22556 H1 WAT X6823 60.020 37.718 42.535 0.00 0.00 +ATOM 22557 H2 WAT X6823 60.080 36.526 43.466 0.00 0.00 +ATOM 22558 O WAT X6824 4.180 26.254 51.240 0.00 0.00 +ATOM 22559 H1 WAT X6824 4.706 25.475 51.062 0.00 0.00 +ATOM 22560 H2 WAT X6824 3.445 26.192 50.629 0.00 0.00 +ATOM 22561 O WAT X6825 37.926 53.614 3.962 0.00 0.00 +ATOM 22562 H1 WAT X6825 37.479 53.699 4.804 0.00 0.00 +ATOM 22563 H2 WAT X6825 38.686 54.191 4.035 0.00 0.00 +ATOM 22564 O WAT X6826 7.569 31.113 52.340 0.00 0.00 +ATOM 22565 H1 WAT X6826 8.075 31.925 52.301 0.00 0.00 +ATOM 22566 H2 WAT X6826 7.946 30.631 53.076 0.00 0.00 +ATOM 22567 O WAT X6827 23.061 51.504 57.749 0.00 0.00 +ATOM 22568 H1 WAT X6827 22.593 52.328 57.612 0.00 0.00 +ATOM 22569 H2 WAT X6827 23.358 51.249 56.875 0.00 0.00 +ATOM 22570 O WAT X6828 42.516 40.419 39.876 0.00 0.00 +ATOM 22571 H1 WAT X6828 41.703 40.255 39.397 0.00 0.00 +ATOM 22572 H2 WAT X6828 42.404 39.953 40.705 0.00 0.00 +ATOM 22573 O WAT X6829 1.004 62.735 29.031 0.00 0.00 +ATOM 22574 H1 WAT X6829 0.164 62.933 29.445 0.00 0.00 +ATOM 22575 H2 WAT X6829 0.980 61.790 28.880 0.00 0.00 +ATOM 22576 O WAT X6830 73.636 34.542 18.487 0.00 0.00 +ATOM 22577 H1 WAT X6830 73.621 35.313 17.919 0.00 0.00 +ATOM 22578 H2 WAT X6830 72.860 34.637 19.040 0.00 0.00 +ATOM 22579 O WAT X6831 28.249 46.172 46.364 0.00 0.00 +ATOM 22580 H1 WAT X6831 28.756 46.596 47.056 0.00 0.00 +ATOM 22581 H2 WAT X6831 27.740 46.881 45.971 0.00 0.00 +ATOM 22582 O WAT X6832 13.206 48.286 4.315 0.00 0.00 +ATOM 22583 H1 WAT X6832 13.350 48.438 5.249 0.00 0.00 +ATOM 22584 H2 WAT X6832 13.528 47.398 4.164 0.00 0.00 +ATOM 22585 O WAT X6833 23.823 44.999 56.643 0.00 0.00 +ATOM 22586 H1 WAT X6833 24.039 44.968 57.574 0.00 0.00 +ATOM 22587 H2 WAT X6833 22.881 45.166 56.621 0.00 0.00 +ATOM 22588 O WAT X6834 52.368 3.338 15.060 0.00 0.00 +ATOM 22589 H1 WAT X6834 51.615 3.374 14.471 0.00 0.00 +ATOM 22590 H2 WAT X6834 52.140 3.931 15.776 0.00 0.00 +ATOM 22591 O WAT X6835 26.913 53.780 4.925 0.00 0.00 +ATOM 22592 H1 WAT X6835 27.133 53.022 5.468 0.00 0.00 +ATOM 22593 H2 WAT X6835 27.427 54.497 5.296 0.00 0.00 +ATOM 22594 O WAT X6836 48.589 50.797 35.938 0.00 0.00 +ATOM 22595 H1 WAT X6836 47.641 50.797 36.067 0.00 0.00 +ATOM 22596 H2 WAT X6836 48.778 49.943 35.548 0.00 0.00 +ATOM 22597 O WAT X6837 71.058 49.821 16.166 0.00 0.00 +ATOM 22598 H1 WAT X6837 70.550 50.192 15.445 0.00 0.00 +ATOM 22599 H2 WAT X6837 71.382 50.582 16.648 0.00 0.00 +ATOM 22600 O WAT X6838 24.281 21.915 42.250 0.00 0.00 +ATOM 22601 H1 WAT X6838 24.459 22.649 42.838 0.00 0.00 +ATOM 22602 H2 WAT X6838 24.978 21.960 41.595 0.00 0.00 +ATOM 22603 O WAT X6839 42.637 45.642 57.600 0.00 0.00 +ATOM 22604 H1 WAT X6839 43.180 45.159 58.224 0.00 0.00 +ATOM 22605 H2 WAT X6839 42.535 45.044 56.860 0.00 0.00 +ATOM 22606 O WAT X6840 6.210 13.366 27.218 0.00 0.00 +ATOM 22607 H1 WAT X6840 6.225 14.050 27.888 0.00 0.00 +ATOM 22608 H2 WAT X6840 7.091 12.992 27.239 0.00 0.00 +ATOM 22609 O WAT X6841 76.775 1.631 10.939 0.00 0.00 +ATOM 22610 H1 WAT X6841 76.235 1.595 11.729 0.00 0.00 +ATOM 22611 H2 WAT X6841 76.445 0.919 10.391 0.00 0.00 +ATOM 22612 O WAT X6842 57.213 35.809 8.085 0.00 0.00 +ATOM 22613 H1 WAT X6842 58.158 35.917 7.978 0.00 0.00 +ATOM 22614 H2 WAT X6842 56.880 35.722 7.192 0.00 0.00 +ATOM 22615 O WAT X6843 18.309 56.114 34.262 0.00 0.00 +ATOM 22616 H1 WAT X6843 19.219 56.405 34.208 0.00 0.00 +ATOM 22617 H2 WAT X6843 17.795 56.913 34.148 0.00 0.00 +ATOM 22618 O WAT X6844 51.503 26.739 12.129 0.00 0.00 +ATOM 22619 H1 WAT X6844 51.382 26.053 11.473 0.00 0.00 +ATOM 22620 H2 WAT X6844 52.419 27.001 12.035 0.00 0.00 +ATOM 22621 O WAT X6845 3.488 41.668 44.091 0.00 0.00 +ATOM 22622 H1 WAT X6845 2.828 42.204 44.529 0.00 0.00 +ATOM 22623 H2 WAT X6845 3.862 41.130 44.789 0.00 0.00 +ATOM 22624 O WAT X6846 5.721 24.763 3.589 0.00 0.00 +ATOM 22625 H1 WAT X6846 6.288 24.227 3.035 0.00 0.00 +ATOM 22626 H2 WAT X6846 5.007 24.177 3.839 0.00 0.00 +ATOM 22627 O WAT X6847 3.680 21.979 44.877 0.00 0.00 +ATOM 22628 H1 WAT X6847 3.486 21.255 45.472 0.00 0.00 +ATOM 22629 H2 WAT X6847 4.565 22.254 45.115 0.00 0.00 +ATOM 22630 O WAT X6848 27.652 2.548 30.786 0.00 0.00 +ATOM 22631 H1 WAT X6848 27.029 1.989 31.250 0.00 0.00 +ATOM 22632 H2 WAT X6848 27.506 3.422 31.148 0.00 0.00 +ATOM 22633 O WAT X6849 55.612 56.894 52.747 0.00 0.00 +ATOM 22634 H1 WAT X6849 56.364 56.303 52.705 0.00 0.00 +ATOM 22635 H2 WAT X6849 55.691 57.437 51.963 0.00 0.00 +ATOM 22636 O WAT X6850 64.169 27.980 56.167 0.00 0.00 +ATOM 22637 H1 WAT X6850 65.062 28.264 55.969 0.00 0.00 +ATOM 22638 H2 WAT X6850 64.136 27.070 55.872 0.00 0.00 +ATOM 22639 O WAT X6851 44.311 6.142 32.785 0.00 0.00 +ATOM 22640 H1 WAT X6851 44.167 5.196 32.769 0.00 0.00 +ATOM 22641 H2 WAT X6851 43.519 6.499 33.186 0.00 0.00 +ATOM 22642 O WAT X6852 73.335 17.496 5.500 0.00 0.00 +ATOM 22643 H1 WAT X6852 72.787 17.737 6.247 0.00 0.00 +ATOM 22644 H2 WAT X6852 74.168 17.231 5.890 0.00 0.00 +ATOM 22645 O WAT X6853 45.772 52.266 52.713 0.00 0.00 +ATOM 22646 H1 WAT X6853 45.990 52.512 53.612 0.00 0.00 +ATOM 22647 H2 WAT X6853 44.906 52.646 52.564 0.00 0.00 +ATOM 22648 O WAT X6854 36.546 27.621 1.148 0.00 0.00 +ATOM 22649 H1 WAT X6854 37.201 27.043 1.539 0.00 0.00 +ATOM 22650 H2 WAT X6854 35.727 27.383 1.581 0.00 0.00 +ATOM 22651 O WAT X6855 66.277 25.216 10.524 0.00 0.00 +ATOM 22652 H1 WAT X6855 65.911 25.531 9.698 0.00 0.00 +ATOM 22653 H2 WAT X6855 66.468 24.292 10.365 0.00 0.00 +ATOM 22654 O WAT X6856 29.581 56.376 18.689 0.00 0.00 +ATOM 22655 H1 WAT X6856 29.304 56.365 17.773 0.00 0.00 +ATOM 22656 H2 WAT X6856 29.376 55.498 19.011 0.00 0.00 +ATOM 22657 O WAT X6857 16.950 45.695 47.401 0.00 0.00 +ATOM 22658 H1 WAT X6857 17.766 46.153 47.197 0.00 0.00 +ATOM 22659 H2 WAT X6857 16.483 46.289 47.988 0.00 0.00 +ATOM 22660 O WAT X6858 12.194 38.901 9.083 0.00 0.00 +ATOM 22661 H1 WAT X6858 11.934 38.294 8.390 0.00 0.00 +ATOM 22662 H2 WAT X6858 11.619 39.657 8.967 0.00 0.00 +ATOM 22663 O WAT X6859 72.299 6.925 33.560 0.00 0.00 +ATOM 22664 H1 WAT X6859 72.232 7.856 33.773 0.00 0.00 +ATOM 22665 H2 WAT X6859 73.238 6.766 33.472 0.00 0.00 +ATOM 22666 O WAT X6860 22.204 4.211 54.669 0.00 0.00 +ATOM 22667 H1 WAT X6860 23.009 3.909 54.248 0.00 0.00 +ATOM 22668 H2 WAT X6860 22.478 4.955 55.205 0.00 0.00 +ATOM 22669 O WAT X6861 50.172 47.804 31.592 0.00 0.00 +ATOM 22670 H1 WAT X6861 50.171 47.122 30.920 0.00 0.00 +ATOM 22671 H2 WAT X6861 49.908 48.598 31.127 0.00 0.00 +ATOM 22672 O WAT X6862 29.473 5.034 24.458 0.00 0.00 +ATOM 22673 H1 WAT X6862 30.161 4.784 23.842 0.00 0.00 +ATOM 22674 H2 WAT X6862 29.248 4.219 24.909 0.00 0.00 +ATOM 22675 O WAT X6863 39.545 7.758 41.128 0.00 0.00 +ATOM 22676 H1 WAT X6863 39.115 8.347 41.748 0.00 0.00 +ATOM 22677 H2 WAT X6863 40.128 8.326 40.623 0.00 0.00 +ATOM 22678 O WAT X6864 37.527 46.001 52.539 0.00 0.00 +ATOM 22679 H1 WAT X6864 36.580 46.056 52.666 0.00 0.00 +ATOM 22680 H2 WAT X6864 37.663 45.155 52.112 0.00 0.00 +ATOM 22681 O WAT X6865 17.844 11.208 50.026 0.00 0.00 +ATOM 22682 H1 WAT X6865 17.311 10.517 50.420 0.00 0.00 +ATOM 22683 H2 WAT X6865 17.597 12.001 50.502 0.00 0.00 +ATOM 22684 O WAT X6866 73.381 15.971 48.664 0.00 0.00 +ATOM 22685 H1 WAT X6866 72.495 15.847 49.005 0.00 0.00 +ATOM 22686 H2 WAT X6866 73.917 15.351 49.158 0.00 0.00 +ATOM 22687 O WAT X6867 4.585 39.363 42.976 0.00 0.00 +ATOM 22688 H1 WAT X6867 4.027 39.988 43.440 0.00 0.00 +ATOM 22689 H2 WAT X6867 4.270 39.386 42.072 0.00 0.00 +ATOM 22690 O WAT X6868 19.997 57.084 41.983 0.00 0.00 +ATOM 22691 H1 WAT X6868 19.765 56.244 42.377 0.00 0.00 +ATOM 22692 H2 WAT X6868 19.279 57.272 41.378 0.00 0.00 +ATOM 22693 O WAT X6869 74.914 22.914 18.101 0.00 0.00 +ATOM 22694 H1 WAT X6869 75.081 22.189 18.703 0.00 0.00 +ATOM 22695 H2 WAT X6869 75.166 23.696 18.591 0.00 0.00 +ATOM 22696 O WAT X6870 15.030 17.078 19.109 0.00 0.00 +ATOM 22697 H1 WAT X6870 14.612 17.477 18.345 0.00 0.00 +ATOM 22698 H2 WAT X6870 14.546 16.263 19.248 0.00 0.00 +ATOM 22699 O WAT X6871 14.401 48.584 7.123 0.00 0.00 +ATOM 22700 H1 WAT X6871 14.396 48.213 8.006 0.00 0.00 +ATOM 22701 H2 WAT X6871 15.329 48.690 6.914 0.00 0.00 +ATOM 22702 O WAT X6872 74.201 54.810 54.444 0.00 0.00 +ATOM 22703 H1 WAT X6872 73.969 54.520 55.326 0.00 0.00 +ATOM 22704 H2 WAT X6872 75.088 54.478 54.308 0.00 0.00 +ATOM 22705 O WAT X6873 34.103 1.872 8.669 0.00 0.00 +ATOM 22706 H1 WAT X6873 34.535 2.710 8.501 0.00 0.00 +ATOM 22707 H2 WAT X6873 34.045 1.457 7.809 0.00 0.00 +ATOM 22708 O WAT X6874 0.718 50.021 21.791 0.00 0.00 +ATOM 22709 H1 WAT X6874 0.251 49.917 20.962 0.00 0.00 +ATOM 22710 H2 WAT X6874 1.296 49.260 21.837 0.00 0.00 +ATOM 22711 O WAT X6875 50.141 1.355 33.304 0.00 0.00 +ATOM 22712 H1 WAT X6875 49.486 1.163 33.975 0.00 0.00 +ATOM 22713 H2 WAT X6875 50.738 0.607 33.330 0.00 0.00 +ATOM 22714 O WAT X6876 71.020 56.416 24.267 0.00 0.00 +ATOM 22715 H1 WAT X6876 70.439 57.174 24.335 0.00 0.00 +ATOM 22716 H2 WAT X6876 71.901 56.790 24.265 0.00 0.00 +ATOM 22717 O WAT X6877 49.750 42.779 8.361 0.00 0.00 +ATOM 22718 H1 WAT X6877 49.993 42.017 7.835 0.00 0.00 +ATOM 22719 H2 WAT X6877 49.599 42.427 9.238 0.00 0.00 +ATOM 22720 O WAT X6878 38.430 40.581 21.936 0.00 0.00 +ATOM 22721 H1 WAT X6878 39.121 41.067 22.387 0.00 0.00 +ATOM 22722 H2 WAT X6878 37.884 41.256 21.534 0.00 0.00 +ATOM 22723 O WAT X6879 43.124 12.653 6.253 0.00 0.00 +ATOM 22724 H1 WAT X6879 43.655 12.483 7.030 0.00 0.00 +ATOM 22725 H2 WAT X6879 43.542 13.406 5.837 0.00 0.00 +ATOM 22726 O WAT X6880 15.545 2.531 36.150 0.00 0.00 +ATOM 22727 H1 WAT X6880 16.378 2.176 36.461 0.00 0.00 +ATOM 22728 H2 WAT X6880 15.577 3.458 36.386 0.00 0.00 +ATOM 22729 O WAT X6881 45.582 0.434 50.919 0.00 0.00 +ATOM 22730 H1 WAT X6881 44.889 1.092 50.875 0.00 0.00 +ATOM 22731 H2 WAT X6881 45.551 0.114 51.821 0.00 0.00 +ATOM 22732 O WAT X6882 36.264 16.636 45.071 0.00 0.00 +ATOM 22733 H1 WAT X6882 35.434 17.102 44.970 0.00 0.00 +ATOM 22734 H2 WAT X6882 36.053 15.724 44.869 0.00 0.00 +ATOM 22735 O WAT X6883 28.892 50.300 6.930 0.00 0.00 +ATOM 22736 H1 WAT X6883 29.352 49.462 6.892 0.00 0.00 +ATOM 22737 H2 WAT X6883 28.689 50.420 7.858 0.00 0.00 +ATOM 22738 O WAT X6884 4.982 5.652 35.480 0.00 0.00 +ATOM 22739 H1 WAT X6884 5.090 6.573 35.243 0.00 0.00 +ATOM 22740 H2 WAT X6884 5.735 5.458 36.038 0.00 0.00 +ATOM 22741 O WAT X6885 59.662 39.153 7.599 0.00 0.00 +ATOM 22742 H1 WAT X6885 58.983 39.788 7.373 0.00 0.00 +ATOM 22743 H2 WAT X6885 59.860 38.709 6.774 0.00 0.00 +ATOM 22744 O WAT X6886 11.208 18.099 54.717 0.00 0.00 +ATOM 22745 H1 WAT X6886 10.317 17.841 54.955 0.00 0.00 +ATOM 22746 H2 WAT X6886 11.479 18.695 55.416 0.00 0.00 +ATOM 22747 O WAT X6887 24.668 20.066 53.125 0.00 0.00 +ATOM 22748 H1 WAT X6887 25.246 19.553 53.689 0.00 0.00 +ATOM 22749 H2 WAT X6887 24.972 19.880 52.237 0.00 0.00 +ATOM 22750 O WAT X6888 37.685 46.750 38.970 0.00 0.00 +ATOM 22751 H1 WAT X6888 38.402 47.338 38.733 0.00 0.00 +ATOM 22752 H2 WAT X6888 38.026 45.873 38.792 0.00 0.00 +ATOM 22753 O WAT X6889 22.633 18.494 40.336 0.00 0.00 +ATOM 22754 H1 WAT X6889 22.519 18.830 41.224 0.00 0.00 +ATOM 22755 H2 WAT X6889 23.386 18.975 39.993 0.00 0.00 +ATOM 22756 O WAT X6890 41.498 61.198 11.387 0.00 0.00 +ATOM 22757 H1 WAT X6890 40.904 61.946 11.316 0.00 0.00 +ATOM 22758 H2 WAT X6890 42.299 61.487 10.949 0.00 0.00 +ATOM 22759 O WAT X6891 50.740 50.403 29.987 0.00 0.00 +ATOM 22760 H1 WAT X6891 50.584 51.247 29.564 0.00 0.00 +ATOM 22761 H2 WAT X6891 50.660 49.762 29.281 0.00 0.00 +ATOM 22762 O WAT X6892 72.593 0.695 40.120 0.00 0.00 +ATOM 22763 H1 WAT X6892 71.668 0.499 40.271 0.00 0.00 +ATOM 22764 H2 WAT X6892 72.916 0.993 40.970 0.00 0.00 +ATOM 22765 O WAT X6893 11.708 45.107 35.747 0.00 0.00 +ATOM 22766 H1 WAT X6893 10.823 45.281 35.427 0.00 0.00 +ATOM 22767 H2 WAT X6893 11.582 44.782 36.638 0.00 0.00 +ATOM 22768 O WAT X6894 44.916 40.939 53.155 0.00 0.00 +ATOM 22769 H1 WAT X6894 45.374 41.766 53.005 0.00 0.00 +ATOM 22770 H2 WAT X6894 45.577 40.368 53.547 0.00 0.00 +ATOM 22771 O WAT X6895 32.240 26.748 51.109 0.00 0.00 +ATOM 22772 H1 WAT X6895 32.984 26.514 50.553 0.00 0.00 +ATOM 22773 H2 WAT X6895 32.508 27.561 51.538 0.00 0.00 +ATOM 22774 O WAT X6896 76.647 3.011 28.315 0.00 0.00 +ATOM 22775 H1 WAT X6896 76.733 3.956 28.443 0.00 0.00 +ATOM 22776 H2 WAT X6896 77.548 2.695 28.256 0.00 0.00 +ATOM 22777 O WAT X6897 50.396 14.968 32.479 0.00 0.00 +ATOM 22778 H1 WAT X6897 49.961 14.438 33.147 0.00 0.00 +ATOM 22779 H2 WAT X6897 51.329 14.791 32.603 0.00 0.00 +ATOM 22780 O WAT X6898 14.535 12.395 51.227 0.00 0.00 +ATOM 22781 H1 WAT X6898 14.958 12.484 52.081 0.00 0.00 +ATOM 22782 H2 WAT X6898 14.222 13.276 51.021 0.00 0.00 +ATOM 22783 O WAT X6899 47.340 10.590 51.421 0.00 0.00 +ATOM 22784 H1 WAT X6899 46.527 10.373 50.965 0.00 0.00 +ATOM 22785 H2 WAT X6899 47.055 10.914 52.276 0.00 0.00 +ATOM 22786 O WAT X6900 74.662 32.702 9.606 0.00 0.00 +ATOM 22787 H1 WAT X6900 75.459 32.646 9.078 0.00 0.00 +ATOM 22788 H2 WAT X6900 73.949 32.667 8.968 0.00 0.00 +ATOM 22789 O WAT X6901 20.182 46.986 53.182 0.00 0.00 +ATOM 22790 H1 WAT X6901 21.064 46.754 53.473 0.00 0.00 +ATOM 22791 H2 WAT X6901 19.784 47.415 53.940 0.00 0.00 +ATOM 22792 O WAT X6902 33.031 29.317 43.955 0.00 0.00 +ATOM 22793 H1 WAT X6902 32.896 30.114 43.442 0.00 0.00 +ATOM 22794 H2 WAT X6902 32.278 29.282 44.545 0.00 0.00 +ATOM 22795 O WAT X6903 73.527 14.773 34.243 0.00 0.00 +ATOM 22796 H1 WAT X6903 73.117 15.085 35.050 0.00 0.00 +ATOM 22797 H2 WAT X6903 74.172 15.447 34.026 0.00 0.00 +ATOM 22798 O WAT X6904 9.179 34.996 41.048 0.00 0.00 +ATOM 22799 H1 WAT X6904 9.894 34.721 40.473 0.00 0.00 +ATOM 22800 H2 WAT X6904 9.616 35.317 41.836 0.00 0.00 +ATOM 22801 O WAT X6905 73.884 17.604 17.889 0.00 0.00 +ATOM 22802 H1 WAT X6905 74.204 18.167 17.184 0.00 0.00 +ATOM 22803 H2 WAT X6905 73.509 18.210 18.529 0.00 0.00 +ATOM 22804 O WAT X6906 77.515 38.641 47.534 0.00 0.00 +ATOM 22805 H1 WAT X6906 78.278 38.781 48.094 0.00 0.00 +ATOM 22806 H2 WAT X6906 76.833 39.195 47.914 0.00 0.00 +ATOM 22807 O WAT X6907 20.103 11.241 24.205 0.00 0.00 +ATOM 22808 H1 WAT X6907 19.835 10.359 24.461 0.00 0.00 +ATOM 22809 H2 WAT X6907 20.590 11.116 23.390 0.00 0.00 +ATOM 22810 O WAT X6908 63.184 47.859 31.116 0.00 0.00 +ATOM 22811 H1 WAT X6908 64.105 48.115 31.164 0.00 0.00 +ATOM 22812 H2 WAT X6908 63.103 47.139 31.741 0.00 0.00 +ATOM 22813 O WAT X6909 11.485 25.309 24.284 0.00 0.00 +ATOM 22814 H1 WAT X6909 12.398 25.350 24.570 0.00 0.00 +ATOM 22815 H2 WAT X6909 11.313 24.374 24.168 0.00 0.00 +ATOM 22816 O WAT X6910 52.482 17.656 20.988 0.00 0.00 +ATOM 22817 H1 WAT X6910 52.923 17.148 20.307 0.00 0.00 +ATOM 22818 H2 WAT X6910 51.825 17.057 21.345 0.00 0.00 +ATOM 22819 O WAT X6911 48.811 1.369 37.987 0.00 0.00 +ATOM 22820 H1 WAT X6911 48.268 1.183 37.221 0.00 0.00 +ATOM 22821 H2 WAT X6911 49.456 2.003 37.675 0.00 0.00 +ATOM 22822 O WAT X6912 9.167 1.141 49.266 0.00 0.00 +ATOM 22823 H1 WAT X6912 9.047 0.543 48.529 0.00 0.00 +ATOM 22824 H2 WAT X6912 9.622 0.619 49.927 0.00 0.00 +ATOM 22825 O WAT X6913 48.089 5.018 26.243 0.00 0.00 +ATOM 22826 H1 WAT X6913 47.511 4.435 26.736 0.00 0.00 +ATOM 22827 H2 WAT X6913 48.763 5.274 26.873 0.00 0.00 +ATOM 22828 O WAT X6914 11.921 4.251 10.658 0.00 0.00 +ATOM 22829 H1 WAT X6914 11.672 3.620 11.333 0.00 0.00 +ATOM 22830 H2 WAT X6914 12.273 3.714 9.947 0.00 0.00 +ATOM 22831 O WAT X6915 15.905 12.795 56.860 0.00 0.00 +ATOM 22832 H1 WAT X6915 15.233 13.047 56.227 0.00 0.00 +ATOM 22833 H2 WAT X6915 16.004 11.851 56.741 0.00 0.00 +ATOM 22834 O WAT X6916 74.437 48.007 1.472 0.00 0.00 +ATOM 22835 H1 WAT X6916 73.828 48.321 0.804 0.00 0.00 +ATOM 22836 H2 WAT X6916 73.992 47.259 1.869 0.00 0.00 +ATOM 22837 O WAT X6917 74.380 57.807 55.493 0.00 0.00 +ATOM 22838 H1 WAT X6917 73.432 57.690 55.563 0.00 0.00 +ATOM 22839 H2 WAT X6917 74.623 57.324 54.703 0.00 0.00 +ATOM 22840 O WAT X6918 9.415 9.034 50.191 0.00 0.00 +ATOM 22841 H1 WAT X6918 10.246 8.580 50.332 0.00 0.00 +ATOM 22842 H2 WAT X6918 8.754 8.438 50.543 0.00 0.00 +ATOM 22843 O WAT X6919 66.267 16.603 16.295 0.00 0.00 +ATOM 22844 H1 WAT X6919 65.374 16.917 16.153 0.00 0.00 +ATOM 22845 H2 WAT X6919 66.190 15.987 17.024 0.00 0.00 +ATOM 22846 O WAT X6920 1.719 22.101 43.017 0.00 0.00 +ATOM 22847 H1 WAT X6920 2.434 21.943 43.634 0.00 0.00 +ATOM 22848 H2 WAT X6920 1.110 21.377 43.166 0.00 0.00 +ATOM 22849 O WAT X6921 59.176 3.950 32.328 0.00 0.00 +ATOM 22850 H1 WAT X6921 58.347 3.474 32.293 0.00 0.00 +ATOM 22851 H2 WAT X6921 59.782 3.415 31.814 0.00 0.00 +ATOM 22852 O WAT X6922 26.846 46.464 4.229 0.00 0.00 +ATOM 22853 H1 WAT X6922 27.488 45.767 4.099 0.00 0.00 +ATOM 22854 H2 WAT X6922 27.241 47.035 4.887 0.00 0.00 +ATOM 22855 O WAT X6923 5.120 17.613 41.724 0.00 0.00 +ATOM 22856 H1 WAT X6923 5.310 18.141 42.499 0.00 0.00 +ATOM 22857 H2 WAT X6923 5.667 16.834 41.826 0.00 0.00 +ATOM 22858 O WAT X6924 13.848 13.743 35.059 0.00 0.00 +ATOM 22859 H1 WAT X6924 13.218 13.036 34.923 0.00 0.00 +ATOM 22860 H2 WAT X6924 14.703 13.330 34.935 0.00 0.00 +ATOM 22861 O WAT X6925 18.092 45.771 12.113 0.00 0.00 +ATOM 22862 H1 WAT X6925 17.398 46.258 12.558 0.00 0.00 +ATOM 22863 H2 WAT X6925 18.033 44.887 12.475 0.00 0.00 +ATOM 22864 O WAT X6926 19.754 18.559 1.256 0.00 0.00 +ATOM 22865 H1 WAT X6926 19.329 18.153 2.012 0.00 0.00 +ATOM 22866 H2 WAT X6926 19.097 18.515 0.561 0.00 0.00 +ATOM 22867 O WAT X6927 17.785 47.305 19.686 0.00 0.00 +ATOM 22868 H1 WAT X6927 17.665 46.551 20.264 0.00 0.00 +ATOM 22869 H2 WAT X6927 17.041 47.876 19.881 0.00 0.00 +ATOM 22870 O WAT X6928 9.251 9.492 19.031 0.00 0.00 +ATOM 22871 H1 WAT X6928 8.699 10.013 19.615 0.00 0.00 +ATOM 22872 H2 WAT X6928 8.910 9.672 18.155 0.00 0.00 +ATOM 22873 O WAT X6929 35.684 51.892 3.296 0.00 0.00 +ATOM 22874 H1 WAT X6929 35.640 51.909 2.340 0.00 0.00 +ATOM 22875 H2 WAT X6929 36.419 52.466 3.511 0.00 0.00 +ATOM 22876 O WAT X6930 0.902 28.782 29.173 0.00 0.00 +ATOM 22877 H1 WAT X6930 1.303 28.259 28.479 0.00 0.00 +ATOM 22878 H2 WAT X6930 0.084 28.327 29.373 0.00 0.00 +ATOM 22879 O WAT X6931 75.826 51.821 26.252 0.00 0.00 +ATOM 22880 H1 WAT X6931 76.079 51.237 26.967 0.00 0.00 +ATOM 22881 H2 WAT X6931 76.380 52.593 26.364 0.00 0.00 +ATOM 22882 O WAT X6932 9.834 8.160 30.231 0.00 0.00 +ATOM 22883 H1 WAT X6932 9.145 7.495 30.227 0.00 0.00 +ATOM 22884 H2 WAT X6932 9.554 8.791 30.895 0.00 0.00 +ATOM 22885 O WAT X6933 8.601 24.392 20.599 0.00 0.00 +ATOM 22886 H1 WAT X6933 7.815 24.540 20.074 0.00 0.00 +ATOM 22887 H2 WAT X6933 8.650 25.153 21.177 0.00 0.00 +ATOM 22888 O WAT X6934 20.095 63.200 38.621 0.00 0.00 +ATOM 22889 H1 WAT X6934 19.861 62.861 39.485 0.00 0.00 +ATOM 22890 H2 WAT X6934 20.954 62.819 38.439 0.00 0.00 +ATOM 22891 O WAT X6935 42.771 61.091 57.721 0.00 0.00 +ATOM 22892 H1 WAT X6935 42.698 61.950 58.136 0.00 0.00 +ATOM 22893 H2 WAT X6935 43.646 60.784 57.957 0.00 0.00 +ATOM 22894 O WAT X6936 49.374 45.598 53.490 0.00 0.00 +ATOM 22895 H1 WAT X6936 50.301 45.361 53.489 0.00 0.00 +ATOM 22896 H2 WAT X6936 49.316 46.337 54.094 0.00 0.00 +ATOM 22897 O WAT X6937 14.637 18.674 53.416 0.00 0.00 +ATOM 22898 H1 WAT X6937 14.382 19.593 53.504 0.00 0.00 +ATOM 22899 H2 WAT X6937 14.937 18.595 52.510 0.00 0.00 +ATOM 22900 O WAT X6938 6.673 34.285 41.895 0.00 0.00 +ATOM 22901 H1 WAT X6938 6.857 34.698 42.739 0.00 0.00 +ATOM 22902 H2 WAT X6938 7.434 34.494 41.355 0.00 0.00 +ATOM 22903 O WAT X6939 27.056 59.242 9.391 0.00 0.00 +ATOM 22904 H1 WAT X6939 27.068 58.680 8.617 0.00 0.00 +ATOM 22905 H2 WAT X6939 27.587 58.774 10.036 0.00 0.00 +ATOM 22906 O WAT X6940 26.086 0.956 50.840 0.00 0.00 +ATOM 22907 H1 WAT X6940 26.092 0.008 50.967 0.00 0.00 +ATOM 22908 H2 WAT X6940 26.403 1.312 51.670 0.00 0.00 +ATOM 22909 O WAT X6941 14.872 37.694 25.726 0.00 0.00 +ATOM 22910 H1 WAT X6941 15.772 37.779 25.414 0.00 0.00 +ATOM 22911 H2 WAT X6941 14.335 38.006 24.998 0.00 0.00 +ATOM 22912 O WAT X6942 68.858 5.155 53.563 0.00 0.00 +ATOM 22913 H1 WAT X6942 68.090 5.228 54.130 0.00 0.00 +ATOM 22914 H2 WAT X6942 68.941 6.019 53.160 0.00 0.00 +ATOM 22915 O WAT X6943 13.444 14.766 14.364 0.00 0.00 +ATOM 22916 H1 WAT X6943 12.541 14.496 14.533 0.00 0.00 +ATOM 22917 H2 WAT X6943 13.572 14.603 13.430 0.00 0.00 +ATOM 22918 O WAT X6944 69.651 5.222 2.902 0.00 0.00 +ATOM 22919 H1 WAT X6944 70.582 5.135 3.107 0.00 0.00 +ATOM 22920 H2 WAT X6944 69.625 5.342 1.953 0.00 0.00 +ATOM 22921 O WAT X6945 27.401 54.342 45.707 0.00 0.00 +ATOM 22922 H1 WAT X6945 27.038 54.684 46.524 0.00 0.00 +ATOM 22923 H2 WAT X6945 28.350 54.393 45.828 0.00 0.00 +ATOM 22924 O WAT X6946 6.016 21.816 32.474 0.00 0.00 +ATOM 22925 H1 WAT X6946 5.253 21.242 32.549 0.00 0.00 +ATOM 22926 H2 WAT X6946 5.652 22.701 32.501 0.00 0.00 +ATOM 22927 O WAT X6947 12.336 47.674 25.207 0.00 0.00 +ATOM 22928 H1 WAT X6947 11.885 48.142 25.909 0.00 0.00 +ATOM 22929 H2 WAT X6947 12.117 46.753 25.353 0.00 0.00 +ATOM 22930 O WAT X6948 1.538 60.483 53.160 0.00 0.00 +ATOM 22931 H1 WAT X6948 2.112 60.780 52.453 0.00 0.00 +ATOM 22932 H2 WAT X6948 2.041 59.801 53.606 0.00 0.00 +ATOM 22933 O WAT X6949 12.972 62.733 48.197 0.00 0.00 +ATOM 22934 H1 WAT X6949 12.624 61.986 47.711 0.00 0.00 +ATOM 22935 H2 WAT X6949 12.665 62.599 49.094 0.00 0.00 +ATOM 22936 O WAT X6950 77.596 37.611 23.277 0.00 0.00 +ATOM 22937 H1 WAT X6950 78.068 36.804 23.483 0.00 0.00 +ATOM 22938 H2 WAT X6950 77.017 37.372 22.553 0.00 0.00 +ATOM 22939 O WAT X6951 3.452 32.824 4.673 0.00 0.00 +ATOM 22940 H1 WAT X6951 2.861 32.140 4.986 0.00 0.00 +ATOM 22941 H2 WAT X6951 3.193 32.969 3.764 0.00 0.00 +ATOM 22942 O WAT X6952 16.715 15.549 13.126 0.00 0.00 +ATOM 22943 H1 WAT X6952 16.474 16.382 12.721 0.00 0.00 +ATOM 22944 H2 WAT X6952 16.670 14.914 12.412 0.00 0.00 +ATOM 22945 O WAT X6953 40.336 5.480 57.125 0.00 0.00 +ATOM 22946 H1 WAT X6953 40.669 4.630 57.413 0.00 0.00 +ATOM 22947 H2 WAT X6953 41.106 6.050 57.122 0.00 0.00 +ATOM 22948 O WAT X6954 20.197 10.113 11.930 0.00 0.00 +ATOM 22949 H1 WAT X6954 20.776 9.415 12.235 0.00 0.00 +ATOM 22950 H2 WAT X6954 19.931 9.837 11.053 0.00 0.00 +ATOM 22951 O WAT X6955 42.738 50.641 27.276 0.00 0.00 +ATOM 22952 H1 WAT X6955 43.239 50.235 26.568 0.00 0.00 +ATOM 22953 H2 WAT X6955 42.481 51.494 26.928 0.00 0.00 +ATOM 22954 O WAT X6956 22.821 30.873 3.911 0.00 0.00 +ATOM 22955 H1 WAT X6956 22.470 30.861 4.802 0.00 0.00 +ATOM 22956 H2 WAT X6956 22.496 31.692 3.537 0.00 0.00 +ATOM 22957 O WAT X6957 13.633 41.343 8.399 0.00 0.00 +ATOM 22958 H1 WAT X6957 14.198 41.249 9.165 0.00 0.00 +ATOM 22959 H2 WAT X6957 13.117 42.129 8.577 0.00 0.00 +ATOM 22960 O WAT X6958 29.982 41.060 43.600 0.00 0.00 +ATOM 22961 H1 WAT X6958 29.625 41.804 43.114 0.00 0.00 +ATOM 22962 H2 WAT X6958 30.225 41.425 44.451 0.00 0.00 +ATOM 22963 O WAT X6959 24.280 17.977 23.001 0.00 0.00 +ATOM 22964 H1 WAT X6959 23.688 17.274 22.736 0.00 0.00 +ATOM 22965 H2 WAT X6959 24.877 18.080 22.260 0.00 0.00 +ATOM 22966 O WAT X6960 5.167 16.618 47.569 0.00 0.00 +ATOM 22967 H1 WAT X6960 4.343 16.545 48.050 0.00 0.00 +ATOM 22968 H2 WAT X6960 5.833 16.315 48.187 0.00 0.00 +ATOM 22969 O WAT X6961 66.131 5.872 14.584 0.00 0.00 +ATOM 22970 H1 WAT X6961 66.720 5.321 14.067 0.00 0.00 +ATOM 22971 H2 WAT X6961 66.708 6.330 15.196 0.00 0.00 +ATOM 22972 O WAT X6962 54.278 32.563 23.177 0.00 0.00 +ATOM 22973 H1 WAT X6962 54.285 33.520 23.202 0.00 0.00 +ATOM 22974 H2 WAT X6962 55.060 32.305 23.665 0.00 0.00 +ATOM 22975 O WAT X6963 0.429 59.915 29.080 0.00 0.00 +ATOM 22976 H1 WAT X6963 0.489 59.339 29.843 0.00 0.00 +ATOM 22977 H2 WAT X6963 -0.373 59.641 28.636 0.00 0.00 +ATOM 22978 O WAT X6964 68.675 12.450 33.701 0.00 0.00 +ATOM 22979 H1 WAT X6964 68.590 13.240 33.167 0.00 0.00 +ATOM 22980 H2 WAT X6964 69.249 11.877 33.192 0.00 0.00 +ATOM 22981 O WAT X6965 39.915 -0.006 10.224 0.00 0.00 +ATOM 22982 H1 WAT X6965 40.494 0.756 10.269 0.00 0.00 +ATOM 22983 H2 WAT X6965 39.174 0.287 9.695 0.00 0.00 +ATOM 22984 O WAT X6966 23.340 61.004 24.935 0.00 0.00 +ATOM 22985 H1 WAT X6966 24.028 61.641 25.126 0.00 0.00 +ATOM 22986 H2 WAT X6966 23.696 60.474 24.221 0.00 0.00 +ATOM 22987 O WAT X6967 10.590 49.415 37.788 0.00 0.00 +ATOM 22988 H1 WAT X6967 10.862 49.224 36.890 0.00 0.00 +ATOM 22989 H2 WAT X6967 9.823 48.860 37.929 0.00 0.00 +ATOM 22990 O WAT X6968 15.283 60.194 7.619 0.00 0.00 +ATOM 22991 H1 WAT X6968 16.098 60.178 8.120 0.00 0.00 +ATOM 22992 H2 WAT X6968 15.531 60.560 6.770 0.00 0.00 +ATOM 22993 O WAT X6969 8.472 29.799 11.487 0.00 0.00 +ATOM 22994 H1 WAT X6969 8.062 29.890 10.627 0.00 0.00 +ATOM 22995 H2 WAT X6969 8.082 29.006 11.856 0.00 0.00 +ATOM 22996 O WAT X6970 26.296 15.945 33.548 0.00 0.00 +ATOM 22997 H1 WAT X6970 26.408 15.420 32.756 0.00 0.00 +ATOM 22998 H2 WAT X6970 25.982 16.793 33.232 0.00 0.00 +ATOM 22999 O WAT X6971 12.948 4.582 24.900 0.00 0.00 +ATOM 23000 H1 WAT X6971 12.044 4.267 24.888 0.00 0.00 +ATOM 23001 H2 WAT X6971 13.020 5.132 24.120 0.00 0.00 +ATOM 23002 O WAT X6972 62.448 1.563 54.040 0.00 0.00 +ATOM 23003 H1 WAT X6972 62.130 1.429 54.933 0.00 0.00 +ATOM 23004 H2 WAT X6972 62.122 2.429 53.797 0.00 0.00 +ATOM 23005 O WAT X6973 21.553 48.364 33.647 0.00 0.00 +ATOM 23006 H1 WAT X6973 22.034 49.180 33.787 0.00 0.00 +ATOM 23007 H2 WAT X6973 20.996 48.279 34.421 0.00 0.00 +ATOM 23008 O WAT X6974 73.360 35.070 3.718 0.00 0.00 +ATOM 23009 H1 WAT X6974 72.611 34.495 3.874 0.00 0.00 +ATOM 23010 H2 WAT X6974 73.516 35.495 4.562 0.00 0.00 +ATOM 23011 O WAT X6975 77.457 51.765 56.507 0.00 0.00 +ATOM 23012 H1 WAT X6975 77.797 50.873 56.440 0.00 0.00 +ATOM 23013 H2 WAT X6975 76.774 51.811 55.838 0.00 0.00 +ATOM 23014 O WAT X6976 66.427 6.663 50.901 0.00 0.00 +ATOM 23015 H1 WAT X6976 65.639 6.204 50.608 0.00 0.00 +ATOM 23016 H2 WAT X6976 66.102 7.349 51.484 0.00 0.00 +ATOM 23017 O WAT X6977 74.687 9.879 58.428 0.00 0.00 +ATOM 23018 H1 WAT X6977 75.407 9.370 58.057 0.00 0.00 +ATOM 23019 H2 WAT X6977 73.897 9.418 58.146 0.00 0.00 +ATOM 23020 O WAT X6978 37.949 12.196 50.279 0.00 0.00 +ATOM 23021 H1 WAT X6978 37.556 11.388 50.607 0.00 0.00 +ATOM 23022 H2 WAT X6978 37.215 12.805 50.199 0.00 0.00 +ATOM 23023 O WAT X6979 17.097 36.447 4.493 0.00 0.00 +ATOM 23024 H1 WAT X6979 16.980 35.662 3.956 0.00 0.00 +ATOM 23025 H2 WAT X6979 17.055 37.172 3.869 0.00 0.00 +ATOM 23026 O WAT X6980 35.967 9.261 13.152 0.00 0.00 +ATOM 23027 H1 WAT X6980 35.058 9.270 13.452 0.00 0.00 +ATOM 23028 H2 WAT X6980 36.418 8.689 13.773 0.00 0.00 +ATOM 23029 O WAT X6981 0.490 9.639 1.858 0.00 0.00 +ATOM 23030 H1 WAT X6981 0.096 10.468 1.588 0.00 0.00 +ATOM 23031 H2 WAT X6981 0.891 9.293 1.061 0.00 0.00 +ATOM 23032 O WAT X6982 11.364 45.787 22.153 0.00 0.00 +ATOM 23033 H1 WAT X6982 11.163 44.964 22.599 0.00 0.00 +ATOM 23034 H2 WAT X6982 10.888 46.452 22.650 0.00 0.00 +ATOM 23035 O WAT X6983 34.395 25.331 46.292 0.00 0.00 +ATOM 23036 H1 WAT X6983 34.608 24.429 46.529 0.00 0.00 +ATOM 23037 H2 WAT X6983 33.503 25.285 45.949 0.00 0.00 +ATOM 23038 O WAT X6984 12.272 42.071 39.116 0.00 0.00 +ATOM 23039 H1 WAT X6984 12.437 41.977 38.178 0.00 0.00 +ATOM 23040 H2 WAT X6984 13.082 42.442 39.466 0.00 0.00 +ATOM 23041 O WAT X6985 18.500 41.364 47.093 0.00 0.00 +ATOM 23042 H1 WAT X6985 17.856 41.976 47.448 0.00 0.00 +ATOM 23043 H2 WAT X6985 18.235 40.511 47.438 0.00 0.00 +ATOM 23044 O WAT X6986 1.380 55.861 28.431 0.00 0.00 +ATOM 23045 H1 WAT X6986 1.300 56.539 27.760 0.00 0.00 +ATOM 23046 H2 WAT X6986 0.949 55.096 28.050 0.00 0.00 +ATOM 23047 O WAT X6987 50.403 52.867 0.568 0.00 0.00 +ATOM 23048 H1 WAT X6987 49.462 52.732 0.456 0.00 0.00 +ATOM 23049 H2 WAT X6987 50.628 52.353 1.344 0.00 0.00 +ATOM 23050 O WAT X6988 14.737 46.882 36.973 0.00 0.00 +ATOM 23051 H1 WAT X6988 14.171 47.238 36.288 0.00 0.00 +ATOM 23052 H2 WAT X6988 15.458 47.508 37.037 0.00 0.00 +ATOM 23053 O WAT X6989 7.013 53.788 52.128 0.00 0.00 +ATOM 23054 H1 WAT X6989 7.189 54.603 51.657 0.00 0.00 +ATOM 23055 H2 WAT X6989 7.119 53.103 51.467 0.00 0.00 +ATOM 23056 O WAT X6990 71.196 19.331 49.427 0.00 0.00 +ATOM 23057 H1 WAT X6990 71.343 19.750 50.274 0.00 0.00 +ATOM 23058 H2 WAT X6990 71.318 18.397 49.597 0.00 0.00 +ATOM 23059 O WAT X6991 29.928 50.129 27.315 0.00 0.00 +ATOM 23060 H1 WAT X6991 29.676 51.039 27.158 0.00 0.00 +ATOM 23061 H2 WAT X6991 30.158 50.101 28.244 0.00 0.00 +ATOM 23062 O WAT X6992 60.233 37.159 12.109 0.00 0.00 +ATOM 23063 H1 WAT X6992 59.432 37.560 12.447 0.00 0.00 +ATOM 23064 H2 WAT X6992 60.809 37.095 12.871 0.00 0.00 +ATOM 23065 O WAT X6993 53.289 11.900 34.366 0.00 0.00 +ATOM 23066 H1 WAT X6993 53.047 11.412 35.154 0.00 0.00 +ATOM 23067 H2 WAT X6993 53.872 11.309 33.889 0.00 0.00 +ATOM 23068 O WAT X6994 55.006 10.094 11.527 0.00 0.00 +ATOM 23069 H1 WAT X6994 55.194 10.789 12.158 0.00 0.00 +ATOM 23070 H2 WAT X6994 55.228 10.475 10.677 0.00 0.00 +ATOM 23071 O WAT X6995 2.393 1.013 39.563 0.00 0.00 +ATOM 23072 H1 WAT X6995 1.732 1.107 40.248 0.00 0.00 +ATOM 23073 H2 WAT X6995 2.456 0.069 39.418 0.00 0.00 +ATOM 23074 O WAT X6996 55.854 16.386 53.638 0.00 0.00 +ATOM 23075 H1 WAT X6996 56.614 16.009 54.080 0.00 0.00 +ATOM 23076 H2 WAT X6996 55.997 16.195 52.711 0.00 0.00 +ATOM 23077 O WAT X6997 1.895 27.191 38.085 0.00 0.00 +ATOM 23078 H1 WAT X6997 1.712 26.423 37.545 0.00 0.00 +ATOM 23079 H2 WAT X6997 1.161 27.782 37.919 0.00 0.00 +ATOM 23080 O WAT X6998 55.727 62.294 0.700 0.00 0.00 +ATOM 23081 H1 WAT X6998 55.498 61.560 0.130 0.00 0.00 +ATOM 23082 H2 WAT X6998 56.678 62.373 0.618 0.00 0.00 +ATOM 23083 O WAT X6999 64.666 42.153 8.536 0.00 0.00 +ATOM 23084 H1 WAT X6999 64.028 42.223 7.826 0.00 0.00 +ATOM 23085 H2 WAT X6999 64.813 41.212 8.634 0.00 0.00 +ATOM 23086 O WAT X7000 74.861 10.220 49.155 0.00 0.00 +ATOM 23087 H1 WAT X7000 74.827 9.317 48.840 0.00 0.00 +ATOM 23088 H2 WAT X7000 75.782 10.467 49.076 0.00 0.00 +ATOM 23089 O WAT X7001 28.564 46.280 29.016 0.00 0.00 +ATOM 23090 H1 WAT X7001 29.346 46.076 28.503 0.00 0.00 +ATOM 23091 H2 WAT X7001 28.360 45.465 29.475 0.00 0.00 +ATOM 23092 O WAT X7002 15.691 51.478 41.104 0.00 0.00 +ATOM 23093 H1 WAT X7002 15.080 51.211 40.417 0.00 0.00 +ATOM 23094 H2 WAT X7002 15.316 51.121 41.909 0.00 0.00 +ATOM 23095 O WAT X7003 74.625 32.597 39.002 0.00 0.00 +ATOM 23096 H1 WAT X7003 73.905 33.103 39.378 0.00 0.00 +ATOM 23097 H2 WAT X7003 74.761 32.981 38.136 0.00 0.00 +ATOM 23098 O WAT X7004 77.162 25.714 27.532 0.00 0.00 +ATOM 23099 H1 WAT X7004 78.092 25.914 27.422 0.00 0.00 +ATOM 23100 H2 WAT X7004 76.819 25.676 26.639 0.00 0.00 +ATOM 23101 O WAT X7005 38.256 42.009 55.105 0.00 0.00 +ATOM 23102 H1 WAT X7005 37.612 42.638 54.781 0.00 0.00 +ATOM 23103 H2 WAT X7005 39.102 42.415 54.918 0.00 0.00 +ATOM 23104 O WAT X7006 72.837 10.811 31.672 0.00 0.00 +ATOM 23105 H1 WAT X7006 73.402 11.582 31.735 0.00 0.00 +ATOM 23106 H2 WAT X7006 73.422 10.109 31.388 0.00 0.00 +ATOM 23107 O WAT X7007 30.913 10.576 28.825 0.00 0.00 +ATOM 23108 H1 WAT X7007 30.244 9.972 28.503 0.00 0.00 +ATOM 23109 H2 WAT X7007 30.535 11.445 28.690 0.00 0.00 +ATOM 23110 O WAT X7008 68.637 33.720 18.172 0.00 0.00 +ATOM 23111 H1 WAT X7008 69.395 33.137 18.122 0.00 0.00 +ATOM 23112 H2 WAT X7008 67.888 33.156 17.981 0.00 0.00 +ATOM 23113 O WAT X7009 19.566 22.279 25.674 0.00 0.00 +ATOM 23114 H1 WAT X7009 20.170 22.979 25.921 0.00 0.00 +ATOM 23115 H2 WAT X7009 19.855 21.522 26.182 0.00 0.00 +ATOM 23116 O WAT X7010 75.019 55.044 58.221 0.00 0.00 +ATOM 23117 H1 WAT X7010 74.362 54.362 58.083 0.00 0.00 +ATOM 23118 H2 WAT X7010 74.976 55.582 57.430 0.00 0.00 +ATOM 23119 O WAT X7011 51.028 57.742 12.256 0.00 0.00 +ATOM 23120 H1 WAT X7011 50.224 57.314 11.963 0.00 0.00 +ATOM 23121 H2 WAT X7011 51.554 57.834 11.461 0.00 0.00 +ATOM 23122 O WAT X7012 46.456 3.466 23.341 0.00 0.00 +ATOM 23123 H1 WAT X7012 46.638 3.398 24.279 0.00 0.00 +ATOM 23124 H2 WAT X7012 46.378 4.406 23.180 0.00 0.00 +ATOM 23125 O WAT X7013 32.682 1.737 45.908 0.00 0.00 +ATOM 23126 H1 WAT X7013 33.270 2.391 46.286 0.00 0.00 +ATOM 23127 H2 WAT X7013 32.528 1.114 46.618 0.00 0.00 +ATOM 23128 O WAT X7014 57.687 31.667 51.297 0.00 0.00 +ATOM 23129 H1 WAT X7014 58.094 31.502 50.446 0.00 0.00 +ATOM 23130 H2 WAT X7014 58.422 31.848 51.883 0.00 0.00 +ATOM 23131 O WAT X7015 32.282 22.973 33.663 0.00 0.00 +ATOM 23132 H1 WAT X7015 31.662 22.607 33.032 0.00 0.00 +ATOM 23133 H2 WAT X7015 32.007 23.883 33.769 0.00 0.00 +ATOM 23134 O WAT X7016 63.831 23.190 22.604 0.00 0.00 +ATOM 23135 H1 WAT X7016 64.332 23.338 21.802 0.00 0.00 +ATOM 23136 H2 WAT X7016 63.852 22.241 22.728 0.00 0.00 +ATOM 23137 O WAT X7017 49.144 17.494 7.741 0.00 0.00 +ATOM 23138 H1 WAT X7017 49.544 17.340 8.598 0.00 0.00 +ATOM 23139 H2 WAT X7017 49.726 17.053 7.123 0.00 0.00 +ATOM 23140 O WAT X7018 46.032 54.213 12.849 0.00 0.00 +ATOM 23141 H1 WAT X7018 45.668 53.328 12.854 0.00 0.00 +ATOM 23142 H2 WAT X7018 45.916 54.514 11.947 0.00 0.00 +ATOM 23143 O WAT X7019 1.029 45.423 18.261 0.00 0.00 +ATOM 23144 H1 WAT X7019 1.484 44.625 18.532 0.00 0.00 +ATOM 23145 H2 WAT X7019 1.622 46.133 18.507 0.00 0.00 +ATOM 23146 O WAT X7020 41.990 1.481 31.889 0.00 0.00 +ATOM 23147 H1 WAT X7020 41.250 0.965 32.210 0.00 0.00 +ATOM 23148 H2 WAT X7020 42.369 0.947 31.191 0.00 0.00 +ATOM 23149 O WAT X7021 18.951 35.500 20.604 0.00 0.00 +ATOM 23150 H1 WAT X7021 18.787 34.715 20.082 0.00 0.00 +ATOM 23151 H2 WAT X7021 19.548 36.023 20.069 0.00 0.00 +ATOM 23152 O WAT X7022 67.898 36.594 3.472 0.00 0.00 +ATOM 23153 H1 WAT X7022 68.443 36.855 4.214 0.00 0.00 +ATOM 23154 H2 WAT X7022 67.019 36.894 3.703 0.00 0.00 +ATOM 23155 O WAT X7023 12.393 40.262 42.781 0.00 0.00 +ATOM 23156 H1 WAT X7023 13.233 40.514 42.399 0.00 0.00 +ATOM 23157 H2 WAT X7023 11.834 40.073 42.027 0.00 0.00 +ATOM 23158 O WAT X7024 21.821 61.561 9.526 0.00 0.00 +ATOM 23159 H1 WAT X7024 21.468 62.204 10.141 0.00 0.00 +ATOM 23160 H2 WAT X7024 22.727 61.433 9.809 0.00 0.00 +ATOM 23161 O WAT X7025 46.877 12.806 38.258 0.00 0.00 +ATOM 23162 H1 WAT X7025 47.138 13.585 37.767 0.00 0.00 +ATOM 23163 H2 WAT X7025 47.694 12.329 38.402 0.00 0.00 +ATOM 23164 O WAT X7026 66.807 3.430 32.910 0.00 0.00 +ATOM 23165 H1 WAT X7026 66.012 3.802 32.526 0.00 0.00 +ATOM 23166 H2 WAT X7026 66.656 2.485 32.905 0.00 0.00 +ATOM 23167 O WAT X7027 31.201 32.021 8.379 0.00 0.00 +ATOM 23168 H1 WAT X7027 31.997 31.766 8.845 0.00 0.00 +ATOM 23169 H2 WAT X7027 31.005 32.900 8.703 0.00 0.00 +ATOM 23170 O WAT X7028 38.826 61.838 31.517 0.00 0.00 +ATOM 23171 H1 WAT X7028 38.531 62.213 32.347 0.00 0.00 +ATOM 23172 H2 WAT X7028 38.496 62.441 30.851 0.00 0.00 +ATOM 23173 O WAT X7029 4.815 37.775 6.290 0.00 0.00 +ATOM 23174 H1 WAT X7029 4.733 37.294 5.466 0.00 0.00 +ATOM 23175 H2 WAT X7029 4.029 38.320 6.328 0.00 0.00 +ATOM 23176 O WAT X7030 8.400 57.917 53.326 0.00 0.00 +ATOM 23177 H1 WAT X7030 8.509 58.806 53.664 0.00 0.00 +ATOM 23178 H2 WAT X7030 7.505 57.677 53.568 0.00 0.00 +ATOM 23179 O WAT X7031 36.366 3.400 25.093 0.00 0.00 +ATOM 23180 H1 WAT X7031 35.723 3.980 25.502 0.00 0.00 +ATOM 23181 H2 WAT X7031 36.317 3.607 24.160 0.00 0.00 +ATOM 23182 O WAT X7032 48.454 42.115 2.254 0.00 0.00 +ATOM 23183 H1 WAT X7032 49.287 41.645 2.223 0.00 0.00 +ATOM 23184 H2 WAT X7032 47.868 41.601 1.698 0.00 0.00 +ATOM 23185 O WAT X7033 72.873 23.594 13.626 0.00 0.00 +ATOM 23186 H1 WAT X7033 72.853 23.976 14.503 0.00 0.00 +ATOM 23187 H2 WAT X7033 73.805 23.509 13.423 0.00 0.00 +ATOM 23188 O WAT X7034 7.315 45.246 49.060 0.00 0.00 +ATOM 23189 H1 WAT X7034 6.927 44.827 48.292 0.00 0.00 +ATOM 23190 H2 WAT X7034 6.739 45.988 49.245 0.00 0.00 +ATOM 23191 O WAT X7035 47.031 22.419 20.443 0.00 0.00 +ATOM 23192 H1 WAT X7035 46.247 21.993 20.788 0.00 0.00 +ATOM 23193 H2 WAT X7035 47.687 22.306 21.131 0.00 0.00 +ATOM 23194 O WAT X7036 41.259 50.197 10.029 0.00 0.00 +ATOM 23195 H1 WAT X7036 40.405 49.799 10.200 0.00 0.00 +ATOM 23196 H2 WAT X7036 41.609 50.393 10.898 0.00 0.00 +ATOM 23197 O WAT X7037 12.122 4.739 35.034 0.00 0.00 +ATOM 23198 H1 WAT X7037 12.831 5.381 34.987 0.00 0.00 +ATOM 23199 H2 WAT X7037 11.524 4.991 34.330 0.00 0.00 +ATOM 23200 O WAT X7038 32.531 62.445 56.473 0.00 0.00 +ATOM 23201 H1 WAT X7038 33.453 62.495 56.724 0.00 0.00 +ATOM 23202 H2 WAT X7038 32.483 62.918 55.643 0.00 0.00 +ATOM 23203 O WAT X7039 57.059 13.571 31.188 0.00 0.00 +ATOM 23204 H1 WAT X7039 57.710 12.872 31.126 0.00 0.00 +ATOM 23205 H2 WAT X7039 57.400 14.156 31.865 0.00 0.00 +ATOM 23206 O WAT X7040 23.726 45.792 39.662 0.00 0.00 +ATOM 23207 H1 WAT X7040 23.554 46.311 38.876 0.00 0.00 +ATOM 23208 H2 WAT X7040 23.113 45.059 39.604 0.00 0.00 +ATOM 23209 O WAT X7041 35.206 44.859 49.698 0.00 0.00 +ATOM 23210 H1 WAT X7041 34.854 44.344 50.424 0.00 0.00 +ATOM 23211 H2 WAT X7041 36.092 44.520 49.572 0.00 0.00 +ATOM 23212 O WAT X7042 71.121 5.505 50.471 0.00 0.00 +ATOM 23213 H1 WAT X7042 71.824 5.882 49.940 0.00 0.00 +ATOM 23214 H2 WAT X7042 70.357 6.046 50.274 0.00 0.00 +ATOM 23215 O WAT X7043 8.690 12.541 27.888 0.00 0.00 +ATOM 23216 H1 WAT X7043 9.554 12.822 27.586 0.00 0.00 +ATOM 23217 H2 WAT X7043 8.865 11.774 28.433 0.00 0.00 +ATOM 23218 O WAT X7044 13.989 35.295 0.959 0.00 0.00 +ATOM 23219 H1 WAT X7044 14.799 34.786 0.932 0.00 0.00 +ATOM 23220 H2 WAT X7044 13.294 34.643 0.868 0.00 0.00 +ATOM 23221 O WAT X7045 72.382 16.930 57.763 0.00 0.00 +ATOM 23222 H1 WAT X7045 72.286 17.483 58.539 0.00 0.00 +ATOM 23223 H2 WAT X7045 73.327 16.880 57.620 0.00 0.00 +ATOM 23224 O WAT X7046 36.725 0.249 2.570 0.00 0.00 +ATOM 23225 H1 WAT X7046 36.401 1.097 2.267 0.00 0.00 +ATOM 23226 H2 WAT X7046 36.928 -0.231 1.767 0.00 0.00 +ATOM 23227 O WAT X7047 72.207 21.099 26.430 0.00 0.00 +ATOM 23228 H1 WAT X7047 71.744 20.585 27.092 0.00 0.00 +ATOM 23229 H2 WAT X7047 72.761 21.695 26.934 0.00 0.00 +ATOM 23230 O WAT X7048 25.073 61.267 7.186 0.00 0.00 +ATOM 23231 H1 WAT X7048 24.653 60.799 7.907 0.00 0.00 +ATOM 23232 H2 WAT X7048 26.009 61.107 7.310 0.00 0.00 +ATOM 23233 O WAT X7049 7.590 35.786 21.692 0.00 0.00 +ATOM 23234 H1 WAT X7049 7.337 35.846 22.613 0.00 0.00 +ATOM 23235 H2 WAT X7049 6.771 35.610 21.230 0.00 0.00 +ATOM 23236 O WAT X7050 65.258 22.835 48.801 0.00 0.00 +ATOM 23237 H1 WAT X7050 64.553 23.481 48.858 0.00 0.00 +ATOM 23238 H2 WAT X7050 65.700 22.887 49.648 0.00 0.00 +ATOM 23239 O WAT X7051 61.806 60.608 10.798 0.00 0.00 +ATOM 23240 H1 WAT X7051 61.719 60.132 11.624 0.00 0.00 +ATOM 23241 H2 WAT X7051 61.099 61.252 10.816 0.00 0.00 +ATOM 23242 O WAT X7052 2.021 43.023 35.853 0.00 0.00 +ATOM 23243 H1 WAT X7052 1.782 43.819 35.378 0.00 0.00 +ATOM 23244 H2 WAT X7052 1.605 43.123 36.710 0.00 0.00 +ATOM 23245 O WAT X7053 6.578 0.672 42.003 0.00 0.00 +ATOM 23246 H1 WAT X7053 7.422 0.964 42.349 0.00 0.00 +ATOM 23247 H2 WAT X7053 6.586 0.952 41.087 0.00 0.00 +ATOM 23248 O WAT X7054 43.913 0.561 22.629 0.00 0.00 +ATOM 23249 H1 WAT X7054 44.803 0.854 22.825 0.00 0.00 +ATOM 23250 H2 WAT X7054 43.548 1.254 22.080 0.00 0.00 +ATOM 23251 O WAT X7055 63.498 63.310 36.709 0.00 0.00 +ATOM 23252 H1 WAT X7055 63.490 62.660 36.006 0.00 0.00 +ATOM 23253 H2 WAT X7055 62.774 63.054 37.280 0.00 0.00 +ATOM 23254 O WAT X7056 24.398 34.381 39.255 0.00 0.00 +ATOM 23255 H1 WAT X7056 25.322 34.396 39.505 0.00 0.00 +ATOM 23256 H2 WAT X7056 24.262 35.209 38.795 0.00 0.00 +ATOM 23257 O WAT X7057 0.234 55.758 56.774 0.00 0.00 +ATOM 23258 H1 WAT X7057 0.836 55.016 56.726 0.00 0.00 +ATOM 23259 H2 WAT X7057 -0.337 55.555 57.515 0.00 0.00 +ATOM 23260 O WAT X7058 38.141 53.761 1.292 0.00 0.00 +ATOM 23261 H1 WAT X7058 38.125 53.471 2.204 0.00 0.00 +ATOM 23262 H2 WAT X7058 37.430 54.399 1.230 0.00 0.00 +ATOM 23263 O WAT X7059 74.501 41.926 6.017 0.00 0.00 +ATOM 23264 H1 WAT X7059 73.816 42.002 6.681 0.00 0.00 +ATOM 23265 H2 WAT X7059 75.311 41.840 6.518 0.00 0.00 +ATOM 23266 O WAT X7060 29.273 8.583 37.319 0.00 0.00 +ATOM 23267 H1 WAT X7060 29.044 9.472 37.592 0.00 0.00 +ATOM 23268 H2 WAT X7060 28.816 8.016 37.941 0.00 0.00 +ATOM 23269 O WAT X7061 6.251 5.149 27.244 0.00 0.00 +ATOM 23270 H1 WAT X7061 6.087 4.403 27.821 0.00 0.00 +ATOM 23271 H2 WAT X7061 7.204 5.236 27.230 0.00 0.00 +ATOM 23272 O WAT X7062 15.563 61.495 57.518 0.00 0.00 +ATOM 23273 H1 WAT X7062 15.670 61.049 58.358 0.00 0.00 +ATOM 23274 H2 WAT X7062 14.880 62.145 57.676 0.00 0.00 +ATOM 23275 O WAT X7063 9.716 4.937 43.630 0.00 0.00 +ATOM 23276 H1 WAT X7063 9.173 5.386 44.278 0.00 0.00 +ATOM 23277 H2 WAT X7063 10.068 5.639 43.083 0.00 0.00 +ATOM 23278 O WAT X7064 9.570 57.703 4.109 0.00 0.00 +ATOM 23279 H1 WAT X7064 8.822 57.139 4.305 0.00 0.00 +ATOM 23280 H2 WAT X7064 10.267 57.098 3.857 0.00 0.00 +ATOM 23281 O WAT X7065 70.716 31.323 18.246 0.00 0.00 +ATOM 23282 H1 WAT X7065 71.135 30.547 17.872 0.00 0.00 +ATOM 23283 H2 WAT X7065 70.304 31.008 19.050 0.00 0.00 +ATOM 23284 O WAT X7066 55.537 17.213 26.654 0.00 0.00 +ATOM 23285 H1 WAT X7066 55.460 18.164 26.738 0.00 0.00 +ATOM 23286 H2 WAT X7066 56.388 17.007 27.041 0.00 0.00 +ATOM 23287 O WAT X7067 70.081 31.207 10.360 0.00 0.00 +ATOM 23288 H1 WAT X7067 70.514 31.420 9.533 0.00 0.00 +ATOM 23289 H2 WAT X7067 69.399 31.872 10.452 0.00 0.00 +ATOM 23290 O WAT X7068 56.979 27.217 11.623 0.00 0.00 +ATOM 23291 H1 WAT X7068 57.083 27.518 10.720 0.00 0.00 +ATOM 23292 H2 WAT X7068 56.062 27.395 11.831 0.00 0.00 +ATOM 23293 O WAT X7069 57.711 8.805 9.218 0.00 0.00 +ATOM 23294 H1 WAT X7069 57.664 9.627 9.707 0.00 0.00 +ATOM 23295 H2 WAT X7069 57.469 9.044 8.324 0.00 0.00 +ATOM 23296 O WAT X7070 56.601 34.148 15.292 0.00 0.00 +ATOM 23297 H1 WAT X7070 56.623 35.103 15.229 0.00 0.00 +ATOM 23298 H2 WAT X7070 55.700 33.915 15.067 0.00 0.00 +ATOM 23299 O WAT X7071 51.425 23.272 25.516 0.00 0.00 +ATOM 23300 H1 WAT X7071 51.543 24.092 25.995 0.00 0.00 +ATOM 23301 H2 WAT X7071 50.563 23.355 25.108 0.00 0.00 +ATOM 23302 O WAT X7072 77.700 26.462 43.602 0.00 0.00 +ATOM 23303 H1 WAT X7072 77.115 25.717 43.463 0.00 0.00 +ATOM 23304 H2 WAT X7072 78.260 26.475 42.826 0.00 0.00 +ATOM 23305 O WAT X7073 39.722 30.762 13.480 0.00 0.00 +ATOM 23306 H1 WAT X7073 38.841 31.128 13.392 0.00 0.00 +ATOM 23307 H2 WAT X7073 39.692 30.259 14.293 0.00 0.00 +ATOM 23308 O WAT X7074 15.901 17.631 28.575 0.00 0.00 +ATOM 23309 H1 WAT X7074 15.667 18.084 27.764 0.00 0.00 +ATOM 23310 H2 WAT X7074 15.120 17.704 29.123 0.00 0.00 +ATOM 23311 O WAT X7075 35.579 -0.025 22.071 0.00 0.00 +ATOM 23312 H1 WAT X7075 34.979 0.437 22.657 0.00 0.00 +ATOM 23313 H2 WAT X7075 35.154 0.014 21.214 0.00 0.00 +ATOM 23314 O WAT X7076 21.870 6.782 52.806 0.00 0.00 +ATOM 23315 H1 WAT X7076 21.690 6.401 53.665 0.00 0.00 +ATOM 23316 H2 WAT X7076 21.651 6.087 52.185 0.00 0.00 +ATOM 23317 O WAT X7077 32.986 2.131 11.093 0.00 0.00 +ATOM 23318 H1 WAT X7077 33.794 2.153 11.606 0.00 0.00 +ATOM 23319 H2 WAT X7077 33.280 2.049 10.186 0.00 0.00 +ATOM 23320 O WAT X7078 13.243 13.139 39.649 0.00 0.00 +ATOM 23321 H1 WAT X7078 13.384 12.714 38.803 0.00 0.00 +ATOM 23322 H2 WAT X7078 13.753 13.947 39.599 0.00 0.00 +ATOM 23323 O WAT X7079 28.860 46.702 24.719 0.00 0.00 +ATOM 23324 H1 WAT X7079 29.191 46.743 25.615 0.00 0.00 +ATOM 23325 H2 WAT X7079 29.181 45.865 24.382 0.00 0.00 +ATOM 23326 O WAT X7080 11.423 7.861 51.530 0.00 0.00 +ATOM 23327 H1 WAT X7080 11.507 8.807 51.650 0.00 0.00 +ATOM 23328 H2 WAT X7080 12.232 7.604 51.086 0.00 0.00 +ATOM 23329 O WAT X7081 70.873 23.666 49.324 0.00 0.00 +ATOM 23330 H1 WAT X7081 70.648 23.513 50.242 0.00 0.00 +ATOM 23331 H2 WAT X7081 70.030 23.780 48.887 0.00 0.00 +ATOM 23332 O WAT X7082 24.091 27.586 51.920 0.00 0.00 +ATOM 23333 H1 WAT X7082 24.824 27.501 52.530 0.00 0.00 +ATOM 23334 H2 WAT X7082 23.700 26.713 51.892 0.00 0.00 +ATOM 23335 O WAT X7083 36.773 24.328 29.357 0.00 0.00 +ATOM 23336 H1 WAT X7083 37.534 23.873 28.996 0.00 0.00 +ATOM 23337 H2 WAT X7083 36.325 24.690 28.593 0.00 0.00 +ATOM 23338 O WAT X7084 44.586 1.060 46.157 0.00 0.00 +ATOM 23339 H1 WAT X7084 43.763 1.251 46.607 0.00 0.00 +ATOM 23340 H2 WAT X7084 44.924 0.281 46.597 0.00 0.00 +ATOM 23341 O WAT X7085 43.202 16.068 50.257 0.00 0.00 +ATOM 23342 H1 WAT X7085 42.688 16.256 49.472 0.00 0.00 +ATOM 23343 H2 WAT X7085 43.923 15.521 49.947 0.00 0.00 +ATOM 23344 O WAT X7086 44.655 60.635 19.810 0.00 0.00 +ATOM 23345 H1 WAT X7086 44.638 60.393 20.736 0.00 0.00 +ATOM 23346 H2 WAT X7086 44.983 61.535 19.804 0.00 0.00 +ATOM 23347 O WAT X7087 8.431 9.570 1.450 0.00 0.00 +ATOM 23348 H1 WAT X7087 8.719 8.701 1.171 0.00 0.00 +ATOM 23349 H2 WAT X7087 7.476 9.538 1.386 0.00 0.00 +ATOM 23350 O WAT X7088 76.571 31.529 13.079 0.00 0.00 +ATOM 23351 H1 WAT X7088 77.032 31.488 13.917 0.00 0.00 +ATOM 23352 H2 WAT X7088 77.002 30.869 12.536 0.00 0.00 +ATOM 23353 O WAT X7089 18.554 50.439 33.309 0.00 0.00 +ATOM 23354 H1 WAT X7089 18.195 50.782 34.128 0.00 0.00 +ATOM 23355 H2 WAT X7089 19.224 49.814 33.585 0.00 0.00 +ATOM 23356 O WAT X7090 12.843 57.857 51.480 0.00 0.00 +ATOM 23357 H1 WAT X7090 12.794 58.812 51.428 0.00 0.00 +ATOM 23358 H2 WAT X7090 11.931 57.569 51.453 0.00 0.00 +ATOM 23359 O WAT X7091 39.786 48.686 13.181 0.00 0.00 +ATOM 23360 H1 WAT X7091 39.008 49.146 12.865 0.00 0.00 +ATOM 23361 H2 WAT X7091 39.811 47.879 12.667 0.00 0.00 +ATOM 23362 O WAT X7092 35.680 3.701 17.180 0.00 0.00 +ATOM 23363 H1 WAT X7092 34.956 4.322 17.099 0.00 0.00 +ATOM 23364 H2 WAT X7092 35.308 2.959 17.656 0.00 0.00 +ATOM 23365 O WAT X7093 12.104 58.552 29.757 0.00 0.00 +ATOM 23366 H1 WAT X7093 12.043 57.815 29.150 0.00 0.00 +ATOM 23367 H2 WAT X7093 12.067 58.151 30.625 0.00 0.00 +ATOM 23368 O WAT X7094 20.894 56.574 57.510 0.00 0.00 +ATOM 23369 H1 WAT X7094 20.921 55.990 56.752 0.00 0.00 +ATOM 23370 H2 WAT X7094 19.979 56.850 57.568 0.00 0.00 +ATOM 23371 O WAT X7095 17.260 5.642 17.580 0.00 0.00 +ATOM 23372 H1 WAT X7095 16.805 5.899 16.779 0.00 0.00 +ATOM 23373 H2 WAT X7095 17.544 4.742 17.416 0.00 0.00 +ATOM 23374 O WAT X7096 38.260 2.021 7.021 0.00 0.00 +ATOM 23375 H1 WAT X7096 37.846 2.462 7.764 0.00 0.00 +ATOM 23376 H2 WAT X7096 39.199 2.120 7.177 0.00 0.00 +ATOM 23377 O WAT X7097 41.742 1.421 46.450 0.00 0.00 +ATOM 23378 H1 WAT X7097 41.176 0.787 46.891 0.00 0.00 +ATOM 23379 H2 WAT X7097 41.602 1.259 45.517 0.00 0.00 +ATOM 23380 O WAT X7098 42.577 50.100 47.738 0.00 0.00 +ATOM 23381 H1 WAT X7098 42.412 50.381 46.837 0.00 0.00 +ATOM 23382 H2 WAT X7098 41.824 49.552 47.959 0.00 0.00 +ATOM 23383 O WAT X7099 31.952 18.483 26.234 0.00 0.00 +ATOM 23384 H1 WAT X7099 31.093 18.076 26.121 0.00 0.00 +ATOM 23385 H2 WAT X7099 32.136 18.397 27.169 0.00 0.00 +ATOM 23386 O WAT X7100 1.779 29.048 33.724 0.00 0.00 +ATOM 23387 H1 WAT X7100 2.053 28.612 32.918 0.00 0.00 +ATOM 23388 H2 WAT X7100 0.860 28.804 33.828 0.00 0.00 +ATOM 23389 O WAT X7101 39.364 15.503 54.183 0.00 0.00 +ATOM 23390 H1 WAT X7101 39.851 15.058 53.489 0.00 0.00 +ATOM 23391 H2 WAT X7101 40.009 16.075 54.599 0.00 0.00 +ATOM 23392 O WAT X7102 4.399 45.429 8.349 0.00 0.00 +ATOM 23393 H1 WAT X7102 4.065 45.571 9.234 0.00 0.00 +ATOM 23394 H2 WAT X7102 3.635 45.147 7.846 0.00 0.00 +ATOM 23395 O WAT X7103 10.630 47.513 9.141 0.00 0.00 +ATOM 23396 H1 WAT X7103 9.931 47.642 9.782 0.00 0.00 +ATOM 23397 H2 WAT X7103 11.332 47.090 9.635 0.00 0.00 +ATOM 23398 O WAT X7104 70.794 49.975 38.505 0.00 0.00 +ATOM 23399 H1 WAT X7104 71.403 49.424 38.012 0.00 0.00 +ATOM 23400 H2 WAT X7104 70.137 49.365 38.840 0.00 0.00 +ATOM 23401 O WAT X7105 5.960 40.808 53.050 0.00 0.00 +ATOM 23402 H1 WAT X7105 6.656 40.245 52.712 0.00 0.00 +ATOM 23403 H2 WAT X7105 5.151 40.343 52.839 0.00 0.00 +ATOM 23404 O WAT X7106 48.912 24.843 9.164 0.00 0.00 +ATOM 23405 H1 WAT X7106 49.660 24.680 9.739 0.00 0.00 +ATOM 23406 H2 WAT X7106 48.368 25.463 9.650 0.00 0.00 +ATOM 23407 O WAT X7107 65.980 23.101 20.921 0.00 0.00 +ATOM 23408 H1 WAT X7107 66.712 23.682 20.716 0.00 0.00 +ATOM 23409 H2 WAT X7107 66.388 22.251 21.085 0.00 0.00 +ATOM 23410 O WAT X7108 77.815 15.711 51.031 0.00 0.00 +ATOM 23411 H1 WAT X7108 78.135 14.811 50.967 0.00 0.00 +ATOM 23412 H2 WAT X7108 77.242 15.707 51.798 0.00 0.00 +ATOM 23413 O WAT X7109 29.071 55.837 34.864 0.00 0.00 +ATOM 23414 H1 WAT X7109 29.593 56.314 34.219 0.00 0.00 +ATOM 23415 H2 WAT X7109 28.882 54.997 34.447 0.00 0.00 +ATOM 23416 O WAT X7110 5.638 20.726 36.992 0.00 0.00 +ATOM 23417 H1 WAT X7110 4.740 20.985 36.786 0.00 0.00 +ATOM 23418 H2 WAT X7110 5.543 19.950 37.545 0.00 0.00 +ATOM 23419 O WAT X7111 3.556 27.765 18.745 0.00 0.00 +ATOM 23420 H1 WAT X7111 3.442 27.467 17.842 0.00 0.00 +ATOM 23421 H2 WAT X7111 3.498 28.719 18.690 0.00 0.00 +ATOM 23422 O WAT X7112 52.513 48.717 18.874 0.00 0.00 +ATOM 23423 H1 WAT X7112 52.359 47.778 18.771 0.00 0.00 +ATOM 23424 H2 WAT X7112 51.643 49.111 18.812 0.00 0.00 +ATOM 23425 O WAT X7113 26.263 26.947 9.022 0.00 0.00 +ATOM 23426 H1 WAT X7113 25.370 27.204 8.794 0.00 0.00 +ATOM 23427 H2 WAT X7113 26.485 27.494 9.776 0.00 0.00 +ATOM 23428 O WAT X7114 15.349 12.567 53.736 0.00 0.00 +ATOM 23429 H1 WAT X7114 15.467 13.515 53.678 0.00 0.00 +ATOM 23430 H2 WAT X7114 14.462 12.456 54.078 0.00 0.00 +ATOM 23431 O WAT X7115 43.100 50.628 30.155 0.00 0.00 +ATOM 23432 H1 WAT X7115 43.960 50.211 30.093 0.00 0.00 +ATOM 23433 H2 WAT X7115 42.842 50.781 29.246 0.00 0.00 +ATOM 23434 O WAT X7116 3.506 21.767 11.661 0.00 0.00 +ATOM 23435 H1 WAT X7116 3.601 22.697 11.458 0.00 0.00 +ATOM 23436 H2 WAT X7116 3.573 21.328 10.813 0.00 0.00 +ATOM 23437 O WAT X7117 11.995 53.526 24.380 0.00 0.00 +ATOM 23438 H1 WAT X7117 11.424 54.260 24.610 0.00 0.00 +ATOM 23439 H2 WAT X7117 11.540 52.754 24.715 0.00 0.00 +ATOM 23440 O WAT X7118 -0.164 51.100 38.062 0.00 0.00 +ATOM 23441 H1 WAT X7118 -0.157 51.187 39.016 0.00 0.00 +ATOM 23442 H2 WAT X7118 0.710 51.378 37.790 0.00 0.00 +ATOM 23443 O WAT X7119 35.791 1.784 39.433 0.00 0.00 +ATOM 23444 H1 WAT X7119 36.044 1.863 40.353 0.00 0.00 +ATOM 23445 H2 WAT X7119 36.277 2.480 38.990 0.00 0.00 +ATOM 23446 O WAT X7120 14.596 57.832 41.635 0.00 0.00 +ATOM 23447 H1 WAT X7120 14.998 58.540 41.131 0.00 0.00 +ATOM 23448 H2 WAT X7120 15.151 57.747 42.411 0.00 0.00 +ATOM 23449 O WAT X7121 9.500 37.725 24.233 0.00 0.00 +ATOM 23450 H1 WAT X7121 9.042 36.886 24.268 0.00 0.00 +ATOM 23451 H2 WAT X7121 8.802 38.378 24.183 0.00 0.00 +ATOM 23452 O WAT X7122 15.813 54.306 17.574 0.00 0.00 +ATOM 23453 H1 WAT X7122 15.253 54.876 18.101 0.00 0.00 +ATOM 23454 H2 WAT X7122 16.681 54.707 17.629 0.00 0.00 +ATOM 23455 O WAT X7123 48.813 0.497 30.338 0.00 0.00 +ATOM 23456 H1 WAT X7123 48.879 0.613 31.286 0.00 0.00 +ATOM 23457 H2 WAT X7123 49.380 -0.249 30.147 0.00 0.00 +ATOM 23458 O WAT X7124 37.729 32.424 12.144 0.00 0.00 +ATOM 23459 H1 WAT X7124 38.562 32.892 12.199 0.00 0.00 +ATOM 23460 H2 WAT X7124 37.077 33.059 12.440 0.00 0.00 +ATOM 23461 O WAT X7125 28.571 39.219 39.411 0.00 0.00 +ATOM 23462 H1 WAT X7125 28.218 39.147 40.298 0.00 0.00 +ATOM 23463 H2 WAT X7125 27.934 39.760 38.944 0.00 0.00 +ATOM 23464 O WAT X7126 58.760 0.044 37.867 0.00 0.00 +ATOM 23465 H1 WAT X7126 58.174 0.765 38.098 0.00 0.00 +ATOM 23466 H2 WAT X7126 58.580 -0.123 36.942 0.00 0.00 +ATOM 23467 O WAT X7127 58.844 0.610 17.023 0.00 0.00 +ATOM 23468 H1 WAT X7127 58.669 1.086 16.211 0.00 0.00 +ATOM 23469 H2 WAT X7127 58.724 -0.311 16.791 0.00 0.00 +ATOM 23470 O WAT X7128 40.630 41.983 18.737 0.00 0.00 +ATOM 23471 H1 WAT X7128 40.851 42.304 17.863 0.00 0.00 +ATOM 23472 H2 WAT X7128 40.834 42.716 19.319 0.00 0.00 +ATOM 23473 O WAT X7129 17.990 18.619 36.818 0.00 0.00 +ATOM 23474 H1 WAT X7129 18.398 18.977 37.606 0.00 0.00 +ATOM 23475 H2 WAT X7129 17.779 17.714 37.047 0.00 0.00 +ATOM 23476 O WAT X7130 30.178 52.340 17.519 0.00 0.00 +ATOM 23477 H1 WAT X7130 29.926 52.058 18.398 0.00 0.00 +ATOM 23478 H2 WAT X7130 29.601 53.081 17.330 0.00 0.00 +ATOM 23479 O WAT X7131 8.447 11.560 38.374 0.00 0.00 +ATOM 23480 H1 WAT X7131 8.733 11.019 39.110 0.00 0.00 +ATOM 23481 H2 WAT X7131 9.198 12.122 38.183 0.00 0.00 +ATOM 23482 O WAT X7132 61.243 46.921 33.082 0.00 0.00 +ATOM 23483 H1 WAT X7132 60.637 46.216 32.854 0.00 0.00 +ATOM 23484 H2 WAT X7132 61.862 46.517 33.690 0.00 0.00 +ATOM 23485 O WAT X7133 1.504 17.304 38.304 0.00 0.00 +ATOM 23486 H1 WAT X7133 2.249 17.176 38.892 0.00 0.00 +ATOM 23487 H2 WAT X7133 1.358 16.444 37.911 0.00 0.00 +ATOM 23488 O WAT X7134 18.605 20.826 20.098 0.00 0.00 +ATOM 23489 H1 WAT X7134 17.659 20.730 20.203 0.00 0.00 +ATOM 23490 H2 WAT X7134 18.866 20.071 19.571 0.00 0.00 +ATOM 23491 O WAT X7135 2.057 38.320 8.140 0.00 0.00 +ATOM 23492 H1 WAT X7135 1.768 37.467 7.816 0.00 0.00 +ATOM 23493 H2 WAT X7135 1.351 38.609 8.718 0.00 0.00 +ATOM 23494 O WAT X7136 37.643 56.174 25.477 0.00 0.00 +ATOM 23495 H1 WAT X7136 37.815 56.313 24.546 0.00 0.00 +ATOM 23496 H2 WAT X7136 36.797 55.727 25.501 0.00 0.00 +ATOM 23497 O WAT X7137 2.138 23.356 19.651 0.00 0.00 +ATOM 23498 H1 WAT X7137 2.638 23.703 20.390 0.00 0.00 +ATOM 23499 H2 WAT X7137 2.593 23.690 18.877 0.00 0.00 +ATOM 23500 O WAT X7138 27.398 27.752 50.639 0.00 0.00 +ATOM 23501 H1 WAT X7138 26.946 27.621 49.806 0.00 0.00 +ATOM 23502 H2 WAT X7138 27.421 26.882 51.038 0.00 0.00 +ATOM 23503 O WAT X7139 1.942 18.108 23.443 0.00 0.00 +ATOM 23504 H1 WAT X7139 1.475 18.490 22.699 0.00 0.00 +ATOM 23505 H2 WAT X7139 2.427 17.373 23.069 0.00 0.00 +ATOM 23506 O WAT X7140 31.624 9.341 3.527 0.00 0.00 +ATOM 23507 H1 WAT X7140 31.144 8.586 3.868 0.00 0.00 +ATOM 23508 H2 WAT X7140 30.947 9.910 3.160 0.00 0.00 +ATOM 23509 O WAT X7141 31.857 14.854 50.243 0.00 0.00 +ATOM 23510 H1 WAT X7141 31.560 14.555 49.384 0.00 0.00 +ATOM 23511 H2 WAT X7141 31.212 15.510 50.506 0.00 0.00 +ATOM 23512 O WAT X7142 35.796 43.856 54.521 0.00 0.00 +ATOM 23513 H1 WAT X7142 35.673 44.778 54.297 0.00 0.00 +ATOM 23514 H2 WAT X7142 35.225 43.715 55.276 0.00 0.00 +ATOM 23515 O WAT X7143 44.498 12.411 55.886 0.00 0.00 +ATOM 23516 H1 WAT X7143 43.810 12.043 56.439 0.00 0.00 +ATOM 23517 H2 WAT X7143 44.250 13.328 55.771 0.00 0.00 +ATOM 23518 O WAT X7144 60.888 10.072 39.963 0.00 0.00 +ATOM 23519 H1 WAT X7144 60.155 9.592 39.577 0.00 0.00 +ATOM 23520 H2 WAT X7144 61.014 9.668 40.821 0.00 0.00 +ATOM 23521 O WAT X7145 39.935 55.207 4.458 0.00 0.00 +ATOM 23522 H1 WAT X7145 39.960 55.815 5.197 0.00 0.00 +ATOM 23523 H2 WAT X7145 40.855 55.056 4.240 0.00 0.00 +ATOM 23524 O WAT X7146 22.418 50.726 39.924 0.00 0.00 +ATOM 23525 H1 WAT X7146 22.868 49.889 40.037 0.00 0.00 +ATOM 23526 H2 WAT X7146 22.448 51.133 40.790 0.00 0.00 +ATOM 23527 O WAT X7147 33.649 15.210 47.765 0.00 0.00 +ATOM 23528 H1 WAT X7147 34.288 14.555 48.045 0.00 0.00 +ATOM 23529 H2 WAT X7147 32.800 14.821 47.974 0.00 0.00 +ATOM 23530 O WAT X7148 36.775 46.523 28.466 0.00 0.00 +ATOM 23531 H1 WAT X7148 36.640 45.845 27.804 0.00 0.00 +ATOM 23532 H2 WAT X7148 37.577 46.261 28.918 0.00 0.00 +ATOM 23533 O WAT X7149 3.351 45.902 11.126 0.00 0.00 +ATOM 23534 H1 WAT X7149 4.124 46.232 11.585 0.00 0.00 +ATOM 23535 H2 WAT X7149 2.632 46.032 11.744 0.00 0.00 +ATOM 23536 O WAT X7150 67.144 7.079 2.594 0.00 0.00 +ATOM 23537 H1 WAT X7150 66.820 6.403 1.999 0.00 0.00 +ATOM 23538 H2 WAT X7150 67.884 6.669 3.042 0.00 0.00 +ATOM 23539 O WAT X7151 39.707 33.825 6.372 0.00 0.00 +ATOM 23540 H1 WAT X7151 40.112 33.729 7.234 0.00 0.00 +ATOM 23541 H2 WAT X7151 39.579 34.768 6.271 0.00 0.00 +ATOM 23542 O WAT X7152 16.541 51.115 6.902 0.00 0.00 +ATOM 23543 H1 WAT X7152 17.161 50.980 6.185 0.00 0.00 +ATOM 23544 H2 WAT X7152 17.085 51.124 7.690 0.00 0.00 +ATOM 23545 O WAT X7153 24.470 2.190 41.358 0.00 0.00 +ATOM 23546 H1 WAT X7153 25.134 1.569 41.057 0.00 0.00 +ATOM 23547 H2 WAT X7153 24.969 2.960 41.632 0.00 0.00 +ATOM 23548 O WAT X7154 23.607 37.538 54.913 0.00 0.00 +ATOM 23549 H1 WAT X7154 23.611 36.641 54.580 0.00 0.00 +ATOM 23550 H2 WAT X7154 23.963 37.467 55.799 0.00 0.00 +ATOM 23551 O WAT X7155 2.801 3.686 1.114 0.00 0.00 +ATOM 23552 H1 WAT X7155 3.484 3.221 1.598 0.00 0.00 +ATOM 23553 H2 WAT X7155 2.240 2.993 0.767 0.00 0.00 +ATOM 23554 O WAT X7156 32.278 53.299 8.193 0.00 0.00 +ATOM 23555 H1 WAT X7156 32.356 52.601 7.544 0.00 0.00 +ATOM 23556 H2 WAT X7156 32.102 52.843 9.016 0.00 0.00 +ATOM 23557 O WAT X7157 7.262 39.319 24.302 0.00 0.00 +ATOM 23558 H1 WAT X7157 6.828 39.096 23.479 0.00 0.00 +ATOM 23559 H2 WAT X7157 6.957 38.655 24.921 0.00 0.00 +ATOM 23560 O WAT X7158 68.910 53.634 13.096 0.00 0.00 +ATOM 23561 H1 WAT X7158 69.231 54.490 12.810 0.00 0.00 +ATOM 23562 H2 WAT X7158 68.527 53.247 12.308 0.00 0.00 +ATOM 23563 O WAT X7159 39.778 41.023 9.819 0.00 0.00 +ATOM 23564 H1 WAT X7159 40.429 40.321 9.827 0.00 0.00 +ATOM 23565 H2 WAT X7159 40.292 41.825 9.716 0.00 0.00 +ATOM 23566 O WAT X7160 13.431 30.991 21.181 0.00 0.00 +ATOM 23567 H1 WAT X7160 12.967 31.684 20.712 0.00 0.00 +ATOM 23568 H2 WAT X7160 12.865 30.786 21.926 0.00 0.00 +ATOM 23569 O WAT X7161 26.657 50.899 5.590 0.00 0.00 +ATOM 23570 H1 WAT X7161 27.486 51.006 6.056 0.00 0.00 +ATOM 23571 H2 WAT X7161 26.908 50.812 4.671 0.00 0.00 +ATOM 23572 O WAT X7162 2.393 5.801 53.163 0.00 0.00 +ATOM 23573 H1 WAT X7162 3.184 5.268 53.237 0.00 0.00 +ATOM 23574 H2 WAT X7162 2.012 5.548 52.322 0.00 0.00 +ATOM 23575 O WAT X7163 7.575 43.899 4.378 0.00 0.00 +ATOM 23576 H1 WAT X7163 8.275 44.236 3.819 0.00 0.00 +ATOM 23577 H2 WAT X7163 6.891 43.626 3.767 0.00 0.00 +ATOM 23578 O WAT X7164 72.732 1.389 19.297 0.00 0.00 +ATOM 23579 H1 WAT X7164 71.912 1.199 19.752 0.00 0.00 +ATOM 23580 H2 WAT X7164 73.282 1.809 19.959 0.00 0.00 +ATOM 23581 O WAT X7165 52.447 50.855 5.805 0.00 0.00 +ATOM 23582 H1 WAT X7165 53.298 51.293 5.834 0.00 0.00 +ATOM 23583 H2 WAT X7165 52.512 50.162 6.462 0.00 0.00 +ATOM 23584 O WAT X7166 52.794 19.274 34.809 0.00 0.00 +ATOM 23585 H1 WAT X7166 53.407 18.728 34.317 0.00 0.00 +ATOM 23586 H2 WAT X7166 52.070 18.687 35.026 0.00 0.00 +ATOM 23587 O WAT X7167 39.318 32.534 44.004 0.00 0.00 +ATOM 23588 H1 WAT X7167 40.143 32.889 44.335 0.00 0.00 +ATOM 23589 H2 WAT X7167 39.367 31.597 44.193 0.00 0.00 +ATOM 23590 O WAT X7168 18.359 19.651 8.500 0.00 0.00 +ATOM 23591 H1 WAT X7168 19.041 19.402 7.876 0.00 0.00 +ATOM 23592 H2 WAT X7168 17.562 19.245 8.158 0.00 0.00 +ATOM 23593 O WAT X7169 3.552 48.530 51.566 0.00 0.00 +ATOM 23594 H1 WAT X7169 3.796 49.288 51.035 0.00 0.00 +ATOM 23595 H2 WAT X7169 3.559 47.796 50.953 0.00 0.00 +ATOM 23596 O WAT X7170 25.185 10.787 2.289 0.00 0.00 +ATOM 23597 H1 WAT X7170 24.520 10.993 2.947 0.00 0.00 +ATOM 23598 H2 WAT X7170 25.767 11.547 2.292 0.00 0.00 +ATOM 23599 O WAT X7171 74.248 29.812 39.624 0.00 0.00 +ATOM 23600 H1 WAT X7171 74.428 29.784 40.563 0.00 0.00 +ATOM 23601 H2 WAT X7171 74.493 30.699 39.360 0.00 0.00 +ATOM 23602 O WAT X7172 24.340 52.197 1.634 0.00 0.00 +ATOM 23603 H1 WAT X7172 25.151 52.385 1.162 0.00 0.00 +ATOM 23604 H2 WAT X7172 23.759 51.821 0.973 0.00 0.00 +ATOM 23605 O WAT X7173 5.075 38.027 47.507 0.00 0.00 +ATOM 23606 H1 WAT X7173 4.221 38.452 47.432 0.00 0.00 +ATOM 23607 H2 WAT X7173 5.455 38.096 46.631 0.00 0.00 +ATOM 23608 O WAT X7174 8.001 8.394 26.182 0.00 0.00 +ATOM 23609 H1 WAT X7174 8.897 8.081 26.056 0.00 0.00 +ATOM 23610 H2 WAT X7174 7.520 8.054 25.427 0.00 0.00 +ATOM 23611 O WAT X7175 20.549 3.181 4.501 0.00 0.00 +ATOM 23612 H1 WAT X7175 20.898 2.565 3.857 0.00 0.00 +ATOM 23613 H2 WAT X7175 20.382 2.647 5.277 0.00 0.00 +ATOM 23614 O WAT X7176 56.372 10.539 28.467 0.00 0.00 +ATOM 23615 H1 WAT X7176 56.692 9.638 28.516 0.00 0.00 +ATOM 23616 H2 WAT X7176 57.050 11.058 28.899 0.00 0.00 +ATOM 23617 O WAT X7177 14.363 28.665 19.910 0.00 0.00 +ATOM 23618 H1 WAT X7177 14.114 28.172 20.692 0.00 0.00 +ATOM 23619 H2 WAT X7177 13.938 29.515 20.018 0.00 0.00 +ATOM 23620 O WAT X7178 25.138 15.369 27.753 0.00 0.00 +ATOM 23621 H1 WAT X7178 25.169 16.323 27.833 0.00 0.00 +ATOM 23622 H2 WAT X7178 24.507 15.208 27.051 0.00 0.00 +ATOM 23623 O WAT X7179 29.394 2.649 28.673 0.00 0.00 +ATOM 23624 H1 WAT X7179 28.590 2.564 29.186 0.00 0.00 +ATOM 23625 H2 WAT X7179 30.019 3.058 29.272 0.00 0.00 +ATOM 23626 O WAT X7180 38.232 46.603 6.546 0.00 0.00 +ATOM 23627 H1 WAT X7180 38.361 46.989 5.680 0.00 0.00 +ATOM 23628 H2 WAT X7180 38.880 47.037 7.101 0.00 0.00 +ATOM 23629 O WAT X7181 2.552 32.520 19.272 0.00 0.00 +ATOM 23630 H1 WAT X7181 3.156 32.065 19.859 0.00 0.00 +ATOM 23631 H2 WAT X7181 2.742 33.448 19.405 0.00 0.00 +ATOM 23632 O WAT X7182 32.826 55.673 46.495 0.00 0.00 +ATOM 23633 H1 WAT X7182 33.485 55.050 46.189 0.00 0.00 +ATOM 23634 H2 WAT X7182 31.989 55.260 46.279 0.00 0.00 +ATOM 23635 O WAT X7183 49.210 12.888 58.420 0.00 0.00 +ATOM 23636 H1 WAT X7183 48.470 12.607 57.882 0.00 0.00 +ATOM 23637 H2 WAT X7183 48.925 13.718 58.804 0.00 0.00 +ATOM 23638 O WAT X7184 44.291 53.718 8.590 0.00 0.00 +ATOM 23639 H1 WAT X7184 43.732 53.371 7.895 0.00 0.00 +ATOM 23640 H2 WAT X7184 44.882 52.996 8.805 0.00 0.00 +ATOM 23641 O WAT X7185 38.685 28.824 3.843 0.00 0.00 +ATOM 23642 H1 WAT X7185 39.160 29.591 4.165 0.00 0.00 +ATOM 23643 H2 WAT X7185 37.773 28.990 4.082 0.00 0.00 +ATOM 23644 O WAT X7186 68.872 36.692 52.565 0.00 0.00 +ATOM 23645 H1 WAT X7186 68.041 36.796 52.102 0.00 0.00 +ATOM 23646 H2 WAT X7186 68.791 37.258 53.333 0.00 0.00 +ATOM 23647 O WAT X7187 19.903 62.079 18.488 0.00 0.00 +ATOM 23648 H1 WAT X7187 19.996 62.242 17.550 0.00 0.00 +ATOM 23649 H2 WAT X7187 20.717 61.639 18.737 0.00 0.00 +ATOM 23650 O WAT X7188 67.999 45.064 58.478 0.00 0.00 +ATOM 23651 H1 WAT X7188 67.051 44.969 58.384 0.00 0.00 +ATOM 23652 H2 WAT X7188 68.274 45.517 57.681 0.00 0.00 +ATOM 23653 O WAT X7189 28.199 19.303 26.078 0.00 0.00 +ATOM 23654 H1 WAT X7189 28.451 18.529 25.574 0.00 0.00 +ATOM 23655 H2 WAT X7189 28.481 19.109 26.972 0.00 0.00 +ATOM 23656 O WAT X7190 26.178 31.960 58.580 0.00 0.00 +ATOM 23657 H1 WAT X7190 26.586 31.117 58.386 0.00 0.00 +ATOM 23658 H2 WAT X7190 25.542 32.087 57.876 0.00 0.00 +ATOM 23659 O WAT X7191 35.474 7.981 25.955 0.00 0.00 +ATOM 23660 H1 WAT X7191 34.737 8.586 26.032 0.00 0.00 +ATOM 23661 H2 WAT X7191 36.244 8.547 25.901 0.00 0.00 +ATOM 23662 O WAT X7192 59.488 16.146 13.028 0.00 0.00 +ATOM 23663 H1 WAT X7192 58.908 15.950 13.764 0.00 0.00 +ATOM 23664 H2 WAT X7192 59.590 17.097 13.050 0.00 0.00 +ATOM 23665 O WAT X7193 18.609 15.826 30.799 0.00 0.00 +ATOM 23666 H1 WAT X7193 18.788 15.783 29.859 0.00 0.00 +ATOM 23667 H2 WAT X7193 19.308 16.378 31.150 0.00 0.00 +ATOM 23668 O WAT X7194 34.908 15.755 9.362 0.00 0.00 +ATOM 23669 H1 WAT X7194 35.354 15.121 9.924 0.00 0.00 +ATOM 23670 H2 WAT X7194 34.417 16.309 9.969 0.00 0.00 +ATOM 23671 O WAT X7195 3.658 56.249 53.714 0.00 0.00 +ATOM 23672 H1 WAT X7195 3.694 56.686 52.864 0.00 0.00 +ATOM 23673 H2 WAT X7195 4.575 56.155 53.974 0.00 0.00 +ATOM 23674 O WAT X7196 21.528 7.215 25.485 0.00 0.00 +ATOM 23675 H1 WAT X7196 21.578 6.719 26.303 0.00 0.00 +ATOM 23676 H2 WAT X7196 22.070 7.988 25.641 0.00 0.00 +ATOM 23677 O WAT X7197 10.794 54.556 8.632 0.00 0.00 +ATOM 23678 H1 WAT X7197 11.451 54.346 7.970 0.00 0.00 +ATOM 23679 H2 WAT X7197 11.078 54.080 9.412 0.00 0.00 +ATOM 23680 O WAT X7198 62.369 17.091 3.471 0.00 0.00 +ATOM 23681 H1 WAT X7198 62.252 17.849 4.044 0.00 0.00 +ATOM 23682 H2 WAT X7198 61.556 17.042 2.968 0.00 0.00 +ATOM 23683 O WAT X7199 3.893 8.366 20.930 0.00 0.00 +ATOM 23684 H1 WAT X7199 3.717 8.493 19.998 0.00 0.00 +ATOM 23685 H2 WAT X7199 3.328 7.636 21.183 0.00 0.00 +ATOM 23686 O WAT X7200 31.037 28.239 4.535 0.00 0.00 +ATOM 23687 H1 WAT X7200 31.177 29.166 4.730 0.00 0.00 +ATOM 23688 H2 WAT X7200 30.085 28.146 4.486 0.00 0.00 +ATOM 23689 O WAT X7201 29.138 54.916 43.296 0.00 0.00 +ATOM 23690 H1 WAT X7201 28.238 54.626 43.446 0.00 0.00 +ATOM 23691 H2 WAT X7201 29.511 54.249 42.719 0.00 0.00 +ATOM 23692 O WAT X7202 45.437 46.716 12.230 0.00 0.00 +ATOM 23693 H1 WAT X7202 45.215 47.398 11.597 0.00 0.00 +ATOM 23694 H2 WAT X7202 44.636 46.592 12.739 0.00 0.00 +ATOM 23695 O WAT X7203 52.806 7.205 27.343 0.00 0.00 +ATOM 23696 H1 WAT X7203 52.096 7.775 27.047 0.00 0.00 +ATOM 23697 H2 WAT X7203 53.099 7.596 28.165 0.00 0.00 +ATOM 23698 O WAT X7204 32.081 19.009 23.750 0.00 0.00 +ATOM 23699 H1 WAT X7204 31.343 19.614 23.683 0.00 0.00 +ATOM 23700 H2 WAT X7204 32.151 18.818 24.685 0.00 0.00 +ATOM 23701 O WAT X7205 11.966 31.551 11.353 0.00 0.00 +ATOM 23702 H1 WAT X7205 11.896 31.700 12.295 0.00 0.00 +ATOM 23703 H2 WAT X7205 12.229 32.398 10.995 0.00 0.00 +ATOM 23704 O WAT X7206 17.357 57.143 41.052 0.00 0.00 +ATOM 23705 H1 WAT X7206 16.890 56.442 40.596 0.00 0.00 +ATOM 23706 H2 WAT X7206 17.503 56.799 41.933 0.00 0.00 +ATOM 23707 O WAT X7207 47.498 46.751 57.903 0.00 0.00 +ATOM 23708 H1 WAT X7207 46.673 46.358 58.189 0.00 0.00 +ATOM 23709 H2 WAT X7207 47.992 46.886 58.711 0.00 0.00 +ATOM 23710 O WAT X7208 28.908 58.764 49.462 0.00 0.00 +ATOM 23711 H1 WAT X7208 29.462 59.503 49.714 0.00 0.00 +ATOM 23712 H2 WAT X7208 29.393 57.991 49.753 0.00 0.00 +ATOM 23713 O WAT X7209 40.607 4.543 15.140 0.00 0.00 +ATOM 23714 H1 WAT X7209 39.972 3.961 15.558 0.00 0.00 +ATOM 23715 H2 WAT X7209 40.652 5.304 15.719 0.00 0.00 +ATOM 23716 O WAT X7210 14.110 17.314 36.334 0.00 0.00 +ATOM 23717 H1 WAT X7210 13.642 18.131 36.158 0.00 0.00 +ATOM 23718 H2 WAT X7210 13.418 16.671 36.488 0.00 0.00 +ATOM 23719 O WAT X7211 14.964 50.220 55.504 0.00 0.00 +ATOM 23720 H1 WAT X7211 14.520 49.766 54.787 0.00 0.00 +ATOM 23721 H2 WAT X7211 14.803 51.148 55.337 0.00 0.00 +ATOM 23722 O WAT X7212 55.874 2.128 1.009 0.00 0.00 +ATOM 23723 H1 WAT X7212 55.902 1.173 1.059 0.00 0.00 +ATOM 23724 H2 WAT X7212 55.662 2.315 0.094 0.00 0.00 +ATOM 23725 O WAT X7213 14.109 45.911 4.094 0.00 0.00 +ATOM 23726 H1 WAT X7213 14.802 46.071 4.735 0.00 0.00 +ATOM 23727 H2 WAT X7213 13.851 45.001 4.243 0.00 0.00 +ATOM 23728 O WAT X7214 44.880 0.678 33.997 0.00 0.00 +ATOM 23729 H1 WAT X7214 44.312 0.599 34.763 0.00 0.00 +ATOM 23730 H2 WAT X7214 44.564 0.004 33.395 0.00 0.00 +ATOM 23731 O WAT X7215 9.223 42.593 13.252 0.00 0.00 +ATOM 23732 H1 WAT X7215 8.314 42.523 12.963 0.00 0.00 +ATOM 23733 H2 WAT X7215 9.456 43.508 13.093 0.00 0.00 +ATOM 23734 O WAT X7216 6.397 32.639 11.226 0.00 0.00 +ATOM 23735 H1 WAT X7216 6.477 32.165 10.398 0.00 0.00 +ATOM 23736 H2 WAT X7216 7.254 33.045 11.354 0.00 0.00 +ATOM 23737 O WAT X7217 57.856 27.958 49.882 0.00 0.00 +ATOM 23738 H1 WAT X7217 58.765 27.662 49.935 0.00 0.00 +ATOM 23739 H2 WAT X7217 57.694 28.385 50.723 0.00 0.00 +ATOM 23740 O WAT X7218 46.471 8.174 42.487 0.00 0.00 +ATOM 23741 H1 WAT X7218 46.784 7.280 42.344 0.00 0.00 +ATOM 23742 H2 WAT X7218 45.996 8.392 41.686 0.00 0.00 +ATOM 23743 O WAT X7219 27.229 2.049 15.141 0.00 0.00 +ATOM 23744 H1 WAT X7219 26.831 2.357 15.956 0.00 0.00 +ATOM 23745 H2 WAT X7219 27.245 2.822 14.576 0.00 0.00 +ATOM 23746 O WAT X7220 1.633 32.134 12.464 0.00 0.00 +ATOM 23747 H1 WAT X7220 1.191 31.332 12.188 0.00 0.00 +ATOM 23748 H2 WAT X7220 1.680 32.066 13.418 0.00 0.00 +ATOM 23749 O WAT X7221 76.467 2.105 24.970 0.00 0.00 +ATOM 23750 H1 WAT X7221 77.340 2.474 24.831 0.00 0.00 +ATOM 23751 H2 WAT X7221 76.004 2.772 25.477 0.00 0.00 +ATOM 23752 O WAT X7222 11.253 45.825 53.937 0.00 0.00 +ATOM 23753 H1 WAT X7222 11.514 45.939 54.851 0.00 0.00 +ATOM 23754 H2 WAT X7222 10.307 45.686 53.973 0.00 0.00 +ATOM 23755 O WAT X7223 46.044 40.667 1.124 0.00 0.00 +ATOM 23756 H1 WAT X7223 46.533 40.035 0.597 0.00 0.00 +ATOM 23757 H2 WAT X7223 46.214 40.407 2.029 0.00 0.00 +ATOM 23758 O WAT X7224 25.526 7.573 16.539 0.00 0.00 +ATOM 23759 H1 WAT X7224 25.821 7.961 17.364 0.00 0.00 +ATOM 23760 H2 WAT X7224 26.023 6.758 16.467 0.00 0.00 +ATOM 23761 O WAT X7225 77.696 0.494 22.064 0.00 0.00 +ATOM 23762 H1 WAT X7225 78.653 0.486 22.102 0.00 0.00 +ATOM 23763 H2 WAT X7225 77.465 1.423 22.067 0.00 0.00 +ATOM 23764 O WAT X7226 35.565 12.111 26.195 0.00 0.00 +ATOM 23765 H1 WAT X7226 35.418 11.698 25.344 0.00 0.00 +ATOM 23766 H2 WAT X7226 35.991 11.433 26.719 0.00 0.00 +ATOM 23767 O WAT X7227 17.530 51.117 15.517 0.00 0.00 +ATOM 23768 H1 WAT X7227 16.988 51.365 14.768 0.00 0.00 +ATOM 23769 H2 WAT X7227 16.980 51.293 16.280 0.00 0.00 +ATOM 23770 O WAT X7228 71.737 19.244 16.142 0.00 0.00 +ATOM 23771 H1 WAT X7228 71.539 19.373 17.070 0.00 0.00 +ATOM 23772 H2 WAT X7228 72.340 19.955 15.925 0.00 0.00 +ATOM 23773 O WAT X7229 8.328 4.604 32.449 0.00 0.00 +ATOM 23774 H1 WAT X7229 8.693 3.723 32.371 0.00 0.00 +ATOM 23775 H2 WAT X7229 7.902 4.611 33.306 0.00 0.00 +ATOM 23776 O WAT X7230 12.602 7.525 18.016 0.00 0.00 +ATOM 23777 H1 WAT X7230 12.457 7.867 18.898 0.00 0.00 +ATOM 23778 H2 WAT X7230 12.467 6.581 18.100 0.00 0.00 +ATOM 23779 O WAT X7231 44.287 54.945 26.712 0.00 0.00 +ATOM 23780 H1 WAT X7231 43.844 55.754 26.455 0.00 0.00 +ATOM 23781 H2 WAT X7231 43.749 54.249 26.336 0.00 0.00 +ATOM 23782 O WAT X7232 12.231 12.752 12.545 0.00 0.00 +ATOM 23783 H1 WAT X7232 12.822 12.510 11.832 0.00 0.00 +ATOM 23784 H2 WAT X7232 12.261 12.007 13.145 0.00 0.00 +ATOM 23785 O WAT X7233 51.106 40.578 55.781 0.00 0.00 +ATOM 23786 H1 WAT X7233 51.921 40.855 56.201 0.00 0.00 +ATOM 23787 H2 WAT X7233 50.527 41.336 55.861 0.00 0.00 +ATOM 23788 O WAT X7234 16.236 36.697 11.466 0.00 0.00 +ATOM 23789 H1 WAT X7234 15.533 37.140 10.993 0.00 0.00 +ATOM 23790 H2 WAT X7234 15.810 36.328 12.240 0.00 0.00 +ATOM 23791 O WAT X7235 35.398 18.115 56.188 0.00 0.00 +ATOM 23792 H1 WAT X7235 34.920 18.735 55.636 0.00 0.00 +ATOM 23793 H2 WAT X7235 35.135 17.254 55.864 0.00 0.00 +ATOM 23794 O WAT X7236 22.896 55.488 43.602 0.00 0.00 +ATOM 23795 H1 WAT X7236 22.934 55.577 42.650 0.00 0.00 +ATOM 23796 H2 WAT X7236 22.981 56.383 43.930 0.00 0.00 +ATOM 23797 O WAT X7237 44.367 17.350 35.587 0.00 0.00 +ATOM 23798 H1 WAT X7237 44.331 16.906 36.434 0.00 0.00 +ATOM 23799 H2 WAT X7237 43.917 18.182 35.734 0.00 0.00 +ATOM 23800 O WAT X7238 69.480 27.055 48.085 0.00 0.00 +ATOM 23801 H1 WAT X7238 69.450 27.314 47.164 0.00 0.00 +ATOM 23802 H2 WAT X7238 70.414 26.995 48.287 0.00 0.00 +ATOM 23803 O WAT X7239 34.996 49.037 10.599 0.00 0.00 +ATOM 23804 H1 WAT X7239 34.053 49.007 10.762 0.00 0.00 +ATOM 23805 H2 WAT X7239 35.095 48.715 9.703 0.00 0.00 +ATOM 23806 O WAT X7240 9.899 12.629 18.701 0.00 0.00 +ATOM 23807 H1 WAT X7240 9.517 11.954 18.139 0.00 0.00 +ATOM 23808 H2 WAT X7240 9.267 12.734 19.412 0.00 0.00 +ATOM 23809 O WAT X7241 48.739 50.048 5.085 0.00 0.00 +ATOM 23810 H1 WAT X7241 49.036 49.946 4.181 0.00 0.00 +ATOM 23811 H2 WAT X7241 49.046 50.918 5.341 0.00 0.00 +ATOM 23812 O WAT X7242 14.952 52.531 44.829 0.00 0.00 +ATOM 23813 H1 WAT X7242 15.742 52.159 44.438 0.00 0.00 +ATOM 23814 H2 WAT X7242 14.473 52.906 44.090 0.00 0.00 +ATOM 23815 O WAT X7243 12.731 15.344 11.496 0.00 0.00 +ATOM 23816 H1 WAT X7243 13.064 14.855 10.743 0.00 0.00 +ATOM 23817 H2 WAT X7243 12.041 14.787 11.856 0.00 0.00 +ATOM 23818 O WAT X7244 22.163 4.938 48.325 0.00 0.00 +ATOM 23819 H1 WAT X7244 21.410 5.363 48.736 0.00 0.00 +ATOM 23820 H2 WAT X7244 21.944 4.912 47.393 0.00 0.00 +ATOM 23821 O WAT X7245 52.633 46.625 6.748 0.00 0.00 +ATOM 23822 H1 WAT X7245 51.943 46.172 6.263 0.00 0.00 +ATOM 23823 H2 WAT X7245 52.702 46.143 7.572 0.00 0.00 +ATOM 23824 O WAT X7246 40.225 48.521 44.942 0.00 0.00 +ATOM 23825 H1 WAT X7246 41.003 48.843 44.486 0.00 0.00 +ATOM 23826 H2 WAT X7246 39.538 48.525 44.275 0.00 0.00 +ATOM 23827 O WAT X7247 6.760 0.565 36.158 0.00 0.00 +ATOM 23828 H1 WAT X7247 7.240 0.490 36.982 0.00 0.00 +ATOM 23829 H2 WAT X7247 6.350 -0.293 36.041 0.00 0.00 +ATOM 23830 O WAT X7248 61.561 21.153 29.990 0.00 0.00 +ATOM 23831 H1 WAT X7248 61.266 21.867 29.426 0.00 0.00 +ATOM 23832 H2 WAT X7248 61.083 21.282 30.810 0.00 0.00 +ATOM 23833 O WAT X7249 39.124 16.475 6.296 0.00 0.00 +ATOM 23834 H1 WAT X7249 39.811 16.796 6.881 0.00 0.00 +ATOM 23835 H2 WAT X7249 39.596 16.021 5.598 0.00 0.00 +ATOM 23836 O WAT X7250 44.819 36.080 9.283 0.00 0.00 +ATOM 23837 H1 WAT X7250 44.222 36.737 8.925 0.00 0.00 +ATOM 23838 H2 WAT X7250 44.294 35.604 9.926 0.00 0.00 +ATOM 23839 O WAT X7251 27.390 29.244 18.287 0.00 0.00 +ATOM 23840 H1 WAT X7251 27.242 29.618 19.155 0.00 0.00 +ATOM 23841 H2 WAT X7251 28.305 28.963 18.299 0.00 0.00 +ATOM 23842 O WAT X7252 11.744 0.469 2.956 0.00 0.00 +ATOM 23843 H1 WAT X7252 10.872 0.813 3.151 0.00 0.00 +ATOM 23844 H2 WAT X7252 11.989 -0.022 3.740 0.00 0.00 +ATOM 23845 O WAT X7253 56.736 3.637 24.269 0.00 0.00 +ATOM 23846 H1 WAT X7253 57.434 2.994 24.149 0.00 0.00 +ATOM 23847 H2 WAT X7253 55.943 3.112 24.380 0.00 0.00 +ATOM 23848 O WAT X7254 19.467 14.444 55.959 0.00 0.00 +ATOM 23849 H1 WAT X7254 20.241 14.240 56.483 0.00 0.00 +ATOM 23850 H2 WAT X7254 18.739 14.398 56.579 0.00 0.00 +ATOM 23851 O WAT X7255 22.231 48.902 8.638 0.00 0.00 +ATOM 23852 H1 WAT X7255 21.437 48.524 8.260 0.00 0.00 +ATOM 23853 H2 WAT X7255 22.435 49.647 8.072 0.00 0.00 +ATOM 23854 O WAT X7256 22.796 11.647 26.586 0.00 0.00 +ATOM 23855 H1 WAT X7256 22.917 11.513 25.646 0.00 0.00 +ATOM 23856 H2 WAT X7256 22.188 12.384 26.646 0.00 0.00 +ATOM 23857 O WAT X7257 2.336 8.119 3.302 0.00 0.00 +ATOM 23858 H1 WAT X7257 2.626 8.903 2.835 0.00 0.00 +ATOM 23859 H2 WAT X7257 1.393 8.240 3.411 0.00 0.00 +ATOM 23860 O WAT X7258 49.654 55.755 5.061 0.00 0.00 +ATOM 23861 H1 WAT X7258 50.337 55.310 5.563 0.00 0.00 +ATOM 23862 H2 WAT X7258 49.499 55.184 4.309 0.00 0.00 +ATOM 23863 O WAT X7259 8.719 1.734 43.352 0.00 0.00 +ATOM 23864 H1 WAT X7259 8.782 2.612 42.975 0.00 0.00 +ATOM 23865 H2 WAT X7259 9.578 1.579 43.743 0.00 0.00 +ATOM 23866 O WAT X7260 68.925 58.821 41.659 0.00 0.00 +ATOM 23867 H1 WAT X7260 69.095 59.027 42.578 0.00 0.00 +ATOM 23868 H2 WAT X7260 68.452 57.989 41.684 0.00 0.00 +ATOM 23869 O WAT X7261 54.569 57.782 27.926 0.00 0.00 +ATOM 23870 H1 WAT X7261 55.449 57.880 28.290 0.00 0.00 +ATOM 23871 H2 WAT X7261 54.664 57.115 27.245 0.00 0.00 +ATOM 23872 O WAT X7262 56.902 32.059 23.929 0.00 0.00 +ATOM 23873 H1 WAT X7262 57.549 31.369 24.077 0.00 0.00 +ATOM 23874 H2 WAT X7262 56.991 32.276 23.001 0.00 0.00 +ATOM 23875 O WAT X7263 27.687 50.459 18.853 0.00 0.00 +ATOM 23876 H1 WAT X7263 26.990 50.457 19.508 0.00 0.00 +ATOM 23877 H2 WAT X7263 28.368 51.017 19.229 0.00 0.00 +ATOM 23878 O WAT X7264 22.097 2.335 11.593 0.00 0.00 +ATOM 23879 H1 WAT X7264 21.869 2.108 12.495 0.00 0.00 +ATOM 23880 H2 WAT X7264 22.646 1.610 11.295 0.00 0.00 +ATOM 23881 O WAT X7265 35.999 27.765 17.423 0.00 0.00 +ATOM 23882 H1 WAT X7265 35.973 28.386 18.150 0.00 0.00 +ATOM 23883 H2 WAT X7265 36.478 28.224 16.733 0.00 0.00 +ATOM 23884 O WAT X7266 61.166 23.807 0.421 0.00 0.00 +ATOM 23885 H1 WAT X7266 61.332 23.122 1.070 0.00 0.00 +ATOM 23886 H2 WAT X7266 61.923 23.772 -0.163 0.00 0.00 +ATOM 23887 O WAT X7267 0.154 52.262 23.797 0.00 0.00 +ATOM 23888 H1 WAT X7267 -0.284 53.030 23.429 0.00 0.00 +ATOM 23889 H2 WAT X7267 0.403 51.740 23.034 0.00 0.00 +ATOM 23890 O WAT X7268 18.853 37.844 56.389 0.00 0.00 +ATOM 23891 H1 WAT X7268 18.703 37.580 55.481 0.00 0.00 +ATOM 23892 H2 WAT X7268 18.179 38.501 56.562 0.00 0.00 +ATOM 23893 O WAT X7269 34.103 50.716 34.514 0.00 0.00 +ATOM 23894 H1 WAT X7269 34.430 49.967 34.015 0.00 0.00 +ATOM 23895 H2 WAT X7269 34.304 50.502 35.425 0.00 0.00 +ATOM 23896 O WAT X7270 57.449 42.916 58.030 0.00 0.00 +ATOM 23897 H1 WAT X7270 57.636 42.385 57.256 0.00 0.00 +ATOM 23898 H2 WAT X7270 57.319 43.800 57.688 0.00 0.00 +ATOM 23899 O WAT X7271 55.443 45.791 8.284 0.00 0.00 +ATOM 23900 H1 WAT X7271 54.608 46.163 8.566 0.00 0.00 +ATOM 23901 H2 WAT X7271 56.104 46.333 8.713 0.00 0.00 +ATOM 23902 O WAT X7272 76.252 49.192 16.326 0.00 0.00 +ATOM 23903 H1 WAT X7272 76.596 49.541 15.504 0.00 0.00 +ATOM 23904 H2 WAT X7272 76.968 48.663 16.680 0.00 0.00 +ATOM 23905 O WAT X7273 22.812 23.259 14.680 0.00 0.00 +ATOM 23906 H1 WAT X7273 22.401 23.037 13.845 0.00 0.00 +ATOM 23907 H2 WAT X7273 22.910 24.211 14.654 0.00 0.00 +ATOM 23908 O WAT X7274 22.003 0.686 25.687 0.00 0.00 +ATOM 23909 H1 WAT X7274 22.370 -0.118 26.055 0.00 0.00 +ATOM 23910 H2 WAT X7274 21.376 0.385 25.030 0.00 0.00 +ATOM 23911 O WAT X7275 40.276 52.066 16.435 0.00 0.00 +ATOM 23912 H1 WAT X7275 39.363 52.162 16.165 0.00 0.00 +ATOM 23913 H2 WAT X7275 40.366 52.645 17.191 0.00 0.00 +ATOM 23914 O WAT X7276 11.981 44.830 25.452 0.00 0.00 +ATOM 23915 H1 WAT X7276 11.479 44.398 24.760 0.00 0.00 +ATOM 23916 H2 WAT X7276 12.871 44.495 25.347 0.00 0.00 +ATOM 23917 O WAT X7277 34.374 60.223 34.111 0.00 0.00 +ATOM 23918 H1 WAT X7277 34.001 60.585 34.915 0.00 0.00 +ATOM 23919 H2 WAT X7277 33.778 60.513 33.420 0.00 0.00 +ATOM 23920 O WAT X7278 68.520 14.861 32.442 0.00 0.00 +ATOM 23921 H1 WAT X7278 68.685 15.344 33.251 0.00 0.00 +ATOM 23922 H2 WAT X7278 69.155 15.214 31.818 0.00 0.00 +ATOM 23923 O WAT X7279 37.431 13.351 20.012 0.00 0.00 +ATOM 23924 H1 WAT X7279 38.195 12.928 20.403 0.00 0.00 +ATOM 23925 H2 WAT X7279 37.180 14.024 20.646 0.00 0.00 +ATOM 23926 O WAT X7280 73.761 31.237 52.997 0.00 0.00 +ATOM 23927 H1 WAT X7280 72.830 31.017 52.963 0.00 0.00 +ATOM 23928 H2 WAT X7280 73.813 31.966 53.615 0.00 0.00 +ATOM 23929 O WAT X7281 10.243 61.668 50.404 0.00 0.00 +ATOM 23930 H1 WAT X7281 10.052 60.776 50.115 0.00 0.00 +ATOM 23931 H2 WAT X7281 9.888 61.714 51.291 0.00 0.00 +ATOM 23932 O WAT X7282 43.339 24.601 3.120 0.00 0.00 +ATOM 23933 H1 WAT X7282 43.790 25.354 3.502 0.00 0.00 +ATOM 23934 H2 WAT X7282 43.645 23.853 3.632 0.00 0.00 +ATOM 23935 O WAT X7283 28.693 25.680 19.890 0.00 0.00 +ATOM 23936 H1 WAT X7283 28.224 25.389 20.672 0.00 0.00 +ATOM 23937 H2 WAT X7283 28.002 25.897 19.264 0.00 0.00 +ATOM 23938 O WAT X7284 69.619 58.729 24.850 0.00 0.00 +ATOM 23939 H1 WAT X7284 69.707 59.575 24.409 0.00 0.00 +ATOM 23940 H2 WAT X7284 68.714 58.715 25.162 0.00 0.00 +ATOM 23941 O WAT X7285 13.616 7.134 50.053 0.00 0.00 +ATOM 23942 H1 WAT X7285 14.537 6.932 49.890 0.00 0.00 +ATOM 23943 H2 WAT X7285 13.135 6.543 49.474 0.00 0.00 +ATOM 23944 O WAT X7286 28.692 1.027 55.634 0.00 0.00 +ATOM 23945 H1 WAT X7286 28.242 0.572 56.346 0.00 0.00 +ATOM 23946 H2 WAT X7286 28.572 1.956 55.831 0.00 0.00 +ATOM 23947 O WAT X7287 41.189 16.542 13.988 0.00 0.00 +ATOM 23948 H1 WAT X7287 41.081 17.469 14.202 0.00 0.00 +ATOM 23949 H2 WAT X7287 40.595 16.396 13.251 0.00 0.00 +ATOM 23950 O WAT X7288 14.165 16.270 56.111 0.00 0.00 +ATOM 23951 H1 WAT X7288 13.291 15.884 56.055 0.00 0.00 +ATOM 23952 H2 WAT X7288 14.673 15.809 55.443 0.00 0.00 +ATOM 23953 O WAT X7289 3.300 55.053 12.025 0.00 0.00 +ATOM 23954 H1 WAT X7289 4.132 54.836 11.604 0.00 0.00 +ATOM 23955 H2 WAT X7289 3.163 55.978 11.821 0.00 0.00 +ATOM 23956 O WAT X7290 18.164 56.949 30.193 0.00 0.00 +ATOM 23957 H1 WAT X7290 18.377 56.016 30.206 0.00 0.00 +ATOM 23958 H2 WAT X7290 19.003 57.388 30.338 0.00 0.00 +ATOM 23959 O WAT X7291 22.887 25.710 54.424 0.00 0.00 +ATOM 23960 H1 WAT X7291 23.546 25.025 54.536 0.00 0.00 +ATOM 23961 H2 WAT X7291 22.630 25.647 53.504 0.00 0.00 +ATOM 23962 O WAT X7292 31.437 5.700 38.681 0.00 0.00 +ATOM 23963 H1 WAT X7292 31.832 4.912 39.055 0.00 0.00 +ATOM 23964 H2 WAT X7292 31.332 6.292 39.426 0.00 0.00 +ATOM 23965 O WAT X7293 71.279 37.369 24.527 0.00 0.00 +ATOM 23966 H1 WAT X7293 71.053 38.119 23.978 0.00 0.00 +ATOM 23967 H2 WAT X7293 71.947 37.702 25.126 0.00 0.00 +ATOM 23968 O WAT X7294 1.518 49.670 25.139 0.00 0.00 +ATOM 23969 H1 WAT X7294 1.093 48.812 25.139 0.00 0.00 +ATOM 23970 H2 WAT X7294 0.952 50.217 24.594 0.00 0.00 +ATOM 23971 O WAT X7295 9.373 40.612 4.892 0.00 0.00 +ATOM 23972 H1 WAT X7295 8.718 41.140 5.349 0.00 0.00 +ATOM 23973 H2 WAT X7295 10.018 40.396 5.565 0.00 0.00 +ATOM 23974 O WAT X7296 60.712 61.291 5.873 0.00 0.00 +ATOM 23975 H1 WAT X7296 61.179 61.895 5.296 0.00 0.00 +ATOM 23976 H2 WAT X7296 60.295 61.855 6.524 0.00 0.00 +ATOM 23977 O WAT X7297 6.976 49.020 22.412 0.00 0.00 +ATOM 23978 H1 WAT X7297 7.602 49.641 22.783 0.00 0.00 +ATOM 23979 H2 WAT X7297 6.135 49.477 22.449 0.00 0.00 +ATOM 23980 O WAT X7298 71.407 54.272 17.601 0.00 0.00 +ATOM 23981 H1 WAT X7298 72.174 54.074 18.139 0.00 0.00 +ATOM 23982 H2 WAT X7298 70.843 54.795 18.171 0.00 0.00 +ATOM 23983 O WAT X7299 18.188 56.664 25.168 0.00 0.00 +ATOM 23984 H1 WAT X7299 17.892 56.665 26.078 0.00 0.00 +ATOM 23985 H2 WAT X7299 17.383 56.729 24.654 0.00 0.00 +ATOM 23986 O WAT X7300 41.356 17.472 7.748 0.00 0.00 +ATOM 23987 H1 WAT X7300 41.433 17.984 8.554 0.00 0.00 +ATOM 23988 H2 WAT X7300 42.253 17.201 7.551 0.00 0.00 +ATOM 23989 O WAT X7301 11.312 7.865 13.916 0.00 0.00 +ATOM 23990 H1 WAT X7301 10.695 8.406 14.409 0.00 0.00 +ATOM 23991 H2 WAT X7301 12.166 8.067 14.298 0.00 0.00 +ATOM 23992 O WAT X7302 14.442 27.515 28.850 0.00 0.00 +ATOM 23993 H1 WAT X7302 14.275 26.977 28.077 0.00 0.00 +ATOM 23994 H2 WAT X7302 15.384 27.431 29.001 0.00 0.00 +ATOM 23995 O WAT X7303 70.352 59.986 0.526 0.00 0.00 +ATOM 23996 H1 WAT X7303 70.498 60.591 1.254 0.00 0.00 +ATOM 23997 H2 WAT X7303 70.074 60.546 -0.199 0.00 0.00 +ATOM 23998 O WAT X7304 12.452 2.083 0.638 0.00 0.00 +ATOM 23999 H1 WAT X7304 12.422 1.436 1.343 0.00 0.00 +ATOM 24000 H2 WAT X7304 11.702 2.653 0.804 0.00 0.00 +ATOM 24001 O WAT X7305 3.192 1.029 7.431 0.00 0.00 +ATOM 24002 H1 WAT X7305 3.505 1.400 6.605 0.00 0.00 +ATOM 24003 H2 WAT X7305 2.997 1.791 7.976 0.00 0.00 +ATOM 24004 O WAT X7306 1.367 43.124 45.399 0.00 0.00 +ATOM 24005 H1 WAT X7306 0.762 43.520 44.773 0.00 0.00 +ATOM 24006 H2 WAT X7306 0.803 42.658 46.016 0.00 0.00 +ATOM 24007 O WAT X7307 4.961 49.085 44.861 0.00 0.00 +ATOM 24008 H1 WAT X7307 5.583 49.587 44.335 0.00 0.00 +ATOM 24009 H2 WAT X7307 5.003 48.199 44.502 0.00 0.00 +ATOM 24010 O WAT X7308 39.520 51.471 31.723 0.00 0.00 +ATOM 24011 H1 WAT X7308 39.547 52.250 32.278 0.00 0.00 +ATOM 24012 H2 WAT X7308 40.039 51.707 30.953 0.00 0.00 +ATOM 24013 O WAT X7309 39.671 6.970 3.308 0.00 0.00 +ATOM 24014 H1 WAT X7309 40.361 7.160 3.944 0.00 0.00 +ATOM 24015 H2 WAT X7309 39.819 7.597 2.600 0.00 0.00 +ATOM 24016 O WAT X7310 12.776 3.857 37.544 0.00 0.00 +ATOM 24017 H1 WAT X7310 12.925 4.288 36.702 0.00 0.00 +ATOM 24018 H2 WAT X7310 12.160 4.430 38.001 0.00 0.00 +ATOM 24019 O WAT X7311 34.103 49.170 36.928 0.00 0.00 +ATOM 24020 H1 WAT X7311 34.757 48.504 37.141 0.00 0.00 +ATOM 24021 H2 WAT X7311 33.265 48.715 37.006 0.00 0.00 +ATOM 24022 O WAT X7312 34.964 22.874 9.702 0.00 0.00 +ATOM 24023 H1 WAT X7312 35.773 22.848 9.190 0.00 0.00 +ATOM 24024 H2 WAT X7312 35.197 23.359 10.493 0.00 0.00 +ATOM 24025 O WAT X7313 64.266 44.725 6.303 0.00 0.00 +ATOM 24026 H1 WAT X7313 64.031 45.197 5.505 0.00 0.00 +ATOM 24027 H2 WAT X7313 63.428 44.523 6.718 0.00 0.00 +ATOM 24028 O WAT X7314 61.360 60.814 44.446 0.00 0.00 +ATOM 24029 H1 WAT X7314 60.490 61.129 44.694 0.00 0.00 +ATOM 24030 H2 WAT X7314 61.451 59.979 44.904 0.00 0.00 +ATOM 24031 O WAT X7315 63.570 4.090 8.978 0.00 0.00 +ATOM 24032 H1 WAT X7315 64.293 4.594 9.352 0.00 0.00 +ATOM 24033 H2 WAT X7315 63.139 4.698 8.378 0.00 0.00 +ATOM 24034 O WAT X7316 8.386 3.721 2.341 0.00 0.00 +ATOM 24035 H1 WAT X7316 8.103 2.926 2.793 0.00 0.00 +ATOM 24036 H2 WAT X7316 8.798 4.250 3.024 0.00 0.00 +ATOM 24037 O WAT X7317 59.423 29.577 10.994 0.00 0.00 +ATOM 24038 H1 WAT X7317 59.575 28.858 10.381 0.00 0.00 +ATOM 24039 H2 WAT X7317 59.669 29.220 11.847 0.00 0.00 +ATOM 24040 O WAT X7318 37.969 3.869 12.509 0.00 0.00 +ATOM 24041 H1 WAT X7318 37.974 3.447 13.368 0.00 0.00 +ATOM 24042 H2 WAT X7318 38.850 4.234 12.417 0.00 0.00 +ATOM 24043 O WAT X7319 1.571 15.849 9.192 0.00 0.00 +ATOM 24044 H1 WAT X7319 2.412 15.811 8.737 0.00 0.00 +ATOM 24045 H2 WAT X7319 1.644 16.611 9.767 0.00 0.00 +ATOM 24046 O WAT X7320 76.994 14.163 54.685 0.00 0.00 +ATOM 24047 H1 WAT X7320 76.271 14.249 55.306 0.00 0.00 +ATOM 24048 H2 WAT X7320 76.568 14.017 53.840 0.00 0.00 +ATOM 24049 O WAT X7321 53.031 28.932 5.140 0.00 0.00 +ATOM 24050 H1 WAT X7321 52.162 29.231 4.870 0.00 0.00 +ATOM 24051 H2 WAT X7321 53.638 29.487 4.650 0.00 0.00 +ATOM 24052 O WAT X7322 68.389 22.753 46.966 0.00 0.00 +ATOM 24053 H1 WAT X7322 68.255 23.346 47.706 0.00 0.00 +ATOM 24054 H2 WAT X7322 68.544 23.333 46.220 0.00 0.00 +ATOM 24055 O WAT X7323 37.900 63.045 23.651 0.00 0.00 +ATOM 24056 H1 WAT X7323 37.352 63.172 22.877 0.00 0.00 +ATOM 24057 H2 WAT X7323 37.965 62.095 23.746 0.00 0.00 +ATOM 24058 O WAT X7324 60.036 37.670 17.240 0.00 0.00 +ATOM 24059 H1 WAT X7324 59.968 38.240 18.005 0.00 0.00 +ATOM 24060 H2 WAT X7324 59.819 38.235 16.499 0.00 0.00 +ATOM 24061 O WAT X7325 51.773 57.914 7.650 0.00 0.00 +ATOM 24062 H1 WAT X7325 51.014 57.916 7.066 0.00 0.00 +ATOM 24063 H2 WAT X7325 51.552 58.548 8.332 0.00 0.00 +ATOM 24064 O WAT X7326 61.894 59.253 24.041 0.00 0.00 +ATOM 24065 H1 WAT X7326 61.601 59.781 24.783 0.00 0.00 +ATOM 24066 H2 WAT X7326 61.210 59.366 23.381 0.00 0.00 +ATOM 24067 O WAT X7327 6.753 40.745 10.294 0.00 0.00 +ATOM 24068 H1 WAT X7327 7.687 40.764 10.503 0.00 0.00 +ATOM 24069 H2 WAT X7327 6.611 39.878 9.912 0.00 0.00 +ATOM 24070 O WAT X7328 45.900 10.023 21.588 0.00 0.00 +ATOM 24071 H1 WAT X7328 46.301 9.510 20.886 0.00 0.00 +ATOM 24072 H2 WAT X7328 46.499 10.759 21.718 0.00 0.00 +ATOM 24073 O WAT X7329 69.634 62.803 0.388 0.00 0.00 +ATOM 24074 H1 WAT X7329 68.947 62.389 -0.134 0.00 0.00 +ATOM 24075 H2 WAT X7329 69.183 63.118 1.172 0.00 0.00 +ATOM 24076 O WAT X7330 63.208 26.849 51.428 0.00 0.00 +ATOM 24077 H1 WAT X7330 63.403 27.769 51.606 0.00 0.00 +ATOM 24078 H2 WAT X7330 62.270 26.837 51.236 0.00 0.00 +ATOM 24079 O WAT X7331 44.219 9.531 13.192 0.00 0.00 +ATOM 24080 H1 WAT X7331 45.137 9.434 13.442 0.00 0.00 +ATOM 24081 H2 WAT X7331 43.993 10.424 13.453 0.00 0.00 +ATOM 24082 O WAT X7332 68.202 1.105 11.598 0.00 0.00 +ATOM 24083 H1 WAT X7332 67.717 0.313 11.366 0.00 0.00 +ATOM 24084 H2 WAT X7332 69.001 1.060 11.074 0.00 0.00 +ATOM 24085 O WAT X7333 61.957 29.010 43.257 0.00 0.00 +ATOM 24086 H1 WAT X7333 62.417 29.351 42.490 0.00 0.00 +ATOM 24087 H2 WAT X7333 62.574 28.395 43.654 0.00 0.00 +ATOM 24088 O WAT X7334 61.123 61.551 31.231 0.00 0.00 +ATOM 24089 H1 WAT X7334 61.299 61.688 30.300 0.00 0.00 +ATOM 24090 H2 WAT X7334 61.577 60.736 31.444 0.00 0.00 +ATOM 24091 O WAT X7335 60.167 10.723 14.416 0.00 0.00 +ATOM 24092 H1 WAT X7335 60.425 11.422 15.017 0.00 0.00 +ATOM 24093 H2 WAT X7335 59.279 10.957 14.144 0.00 0.00 +ATOM 24094 O WAT X7336 0.439 28.525 45.749 0.00 0.00 +ATOM 24095 H1 WAT X7336 0.367 28.051 44.920 0.00 0.00 +ATOM 24096 H2 WAT X7336 -0.381 29.015 45.816 0.00 0.00 +ATOM 24097 O WAT X7337 75.962 7.056 8.637 0.00 0.00 +ATOM 24098 H1 WAT X7337 76.855 7.281 8.898 0.00 0.00 +ATOM 24099 H2 WAT X7337 75.597 6.603 9.397 0.00 0.00 +ATOM 24100 O WAT X7338 65.506 25.401 28.104 0.00 0.00 +ATOM 24101 H1 WAT X7338 66.084 25.094 28.802 0.00 0.00 +ATOM 24102 H2 WAT X7338 65.332 24.622 27.576 0.00 0.00 +ATOM 24103 O WAT X7339 17.820 40.347 11.333 0.00 0.00 +ATOM 24104 H1 WAT X7339 17.611 39.815 12.100 0.00 0.00 +ATOM 24105 H2 WAT X7339 17.851 39.722 10.609 0.00 0.00 +ATOM 24106 O WAT X7340 26.117 22.236 20.647 0.00 0.00 +ATOM 24107 H1 WAT X7340 25.338 22.345 20.101 0.00 0.00 +ATOM 24108 H2 WAT X7340 26.428 23.129 20.800 0.00 0.00 +ATOM 24109 O WAT X7341 59.556 17.025 38.817 0.00 0.00 +ATOM 24110 H1 WAT X7341 59.567 17.961 38.619 0.00 0.00 +ATOM 24111 H2 WAT X7341 60.339 16.679 38.389 0.00 0.00 +ATOM 24112 O WAT X7342 75.455 10.897 25.799 0.00 0.00 +ATOM 24113 H1 WAT X7342 76.237 10.461 26.139 0.00 0.00 +ATOM 24114 H2 WAT X7342 75.656 11.831 25.862 0.00 0.00 +ATOM 24115 O WAT X7343 2.682 62.603 20.950 0.00 0.00 +ATOM 24116 H1 WAT X7343 2.253 62.569 21.805 0.00 0.00 +ATOM 24117 H2 WAT X7343 2.220 63.296 20.478 0.00 0.00 +ATOM 24118 O WAT X7344 36.079 49.030 15.203 0.00 0.00 +ATOM 24119 H1 WAT X7344 35.259 49.446 14.939 0.00 0.00 +ATOM 24120 H2 WAT X7344 36.225 48.349 14.547 0.00 0.00 +ATOM 24121 O WAT X7345 61.950 52.958 52.936 0.00 0.00 +ATOM 24122 H1 WAT X7345 61.928 53.814 52.508 0.00 0.00 +ATOM 24123 H2 WAT X7345 61.516 53.099 53.777 0.00 0.00 +ATOM 24124 O WAT X7346 75.256 22.587 25.383 0.00 0.00 +ATOM 24125 H1 WAT X7346 74.429 22.615 24.901 0.00 0.00 +ATOM 24126 H2 WAT X7346 75.840 22.073 24.825 0.00 0.00 +ATOM 24127 O WAT X7347 1.372 19.536 47.298 0.00 0.00 +ATOM 24128 H1 WAT X7347 2.304 19.622 47.095 0.00 0.00 +ATOM 24129 H2 WAT X7347 1.169 18.620 47.108 0.00 0.00 +ATOM 24130 O WAT X7348 62.596 57.252 21.248 0.00 0.00 +ATOM 24131 H1 WAT X7348 62.840 57.925 20.613 0.00 0.00 +ATOM 24132 H2 WAT X7348 63.215 56.539 21.092 0.00 0.00 +ATOM 24133 O WAT X7349 66.236 37.193 21.720 0.00 0.00 +ATOM 24134 H1 WAT X7349 65.460 36.636 21.661 0.00 0.00 +ATOM 24135 H2 WAT X7349 66.895 36.742 21.193 0.00 0.00 +ATOM 24136 O WAT X7350 76.312 15.566 13.945 0.00 0.00 +ATOM 24137 H1 WAT X7350 75.477 15.584 14.413 0.00 0.00 +ATOM 24138 H2 WAT X7350 76.104 15.168 13.099 0.00 0.00 +ATOM 24139 O WAT X7351 52.330 36.746 20.109 0.00 0.00 +ATOM 24140 H1 WAT X7351 52.628 36.875 19.208 0.00 0.00 +ATOM 24141 H2 WAT X7351 51.597 37.353 20.208 0.00 0.00 +ATOM 24142 O WAT X7352 61.822 62.491 17.043 0.00 0.00 +ATOM 24143 H1 WAT X7352 61.921 63.304 16.548 0.00 0.00 +ATOM 24144 H2 WAT X7352 60.908 62.238 16.908 0.00 0.00 +ATOM 24145 O WAT X7353 48.408 6.635 4.479 0.00 0.00 +ATOM 24146 H1 WAT X7353 47.880 6.842 5.250 0.00 0.00 +ATOM 24147 H2 WAT X7353 47.781 6.623 3.756 0.00 0.00 +ATOM 24148 O WAT X7354 13.347 30.480 27.304 0.00 0.00 +ATOM 24149 H1 WAT X7354 13.115 29.751 26.729 0.00 0.00 +ATOM 24150 H2 WAT X7354 13.326 31.250 26.735 0.00 0.00 +ATOM 24151 O WAT X7355 50.405 2.047 21.074 0.00 0.00 +ATOM 24152 H1 WAT X7355 50.030 1.353 20.532 0.00 0.00 +ATOM 24153 H2 WAT X7355 50.222 2.853 20.592 0.00 0.00 +ATOM 24154 O WAT X7356 55.500 10.936 55.621 0.00 0.00 +ATOM 24155 H1 WAT X7356 56.105 10.870 54.882 0.00 0.00 +ATOM 24156 H2 WAT X7356 54.885 10.214 55.490 0.00 0.00 +ATOM 24157 O WAT X7357 30.131 43.636 25.163 0.00 0.00 +ATOM 24158 H1 WAT X7357 30.528 44.391 25.598 0.00 0.00 +ATOM 24159 H2 WAT X7357 29.360 43.433 25.692 0.00 0.00 +ATOM 24160 O WAT X7358 40.257 2.501 29.464 0.00 0.00 +ATOM 24161 H1 WAT X7358 41.162 2.708 29.697 0.00 0.00 +ATOM 24162 H2 WAT X7358 40.109 2.966 28.640 0.00 0.00 +ATOM 24163 O WAT X7359 0.464 61.724 33.931 0.00 0.00 +ATOM 24164 H1 WAT X7359 -0.231 62.046 33.357 0.00 0.00 +ATOM 24165 H2 WAT X7359 0.070 61.718 34.803 0.00 0.00 +ATOM 24166 O WAT X7360 20.045 12.235 15.994 0.00 0.00 +ATOM 24167 H1 WAT X7360 19.180 12.270 15.586 0.00 0.00 +ATOM 24168 H2 WAT X7360 20.337 13.146 16.018 0.00 0.00 +ATOM 24169 O WAT X7361 75.509 8.345 46.711 0.00 0.00 +ATOM 24170 H1 WAT X7361 76.321 8.790 46.955 0.00 0.00 +ATOM 24171 H2 WAT X7361 75.198 8.819 45.940 0.00 0.00 +ATOM 24172 O WAT X7362 72.395 7.522 14.365 0.00 0.00 +ATOM 24173 H1 WAT X7362 71.486 7.806 14.461 0.00 0.00 +ATOM 24174 H2 WAT X7362 72.332 6.632 14.017 0.00 0.00 +ATOM 24175 O WAT X7363 2.301 48.511 30.066 0.00 0.00 +ATOM 24176 H1 WAT X7363 3.155 48.626 29.647 0.00 0.00 +ATOM 24177 H2 WAT X7363 2.057 47.607 29.868 0.00 0.00 +ATOM 24178 O WAT X7364 3.731 2.872 5.384 0.00 0.00 +ATOM 24179 H1 WAT X7364 3.767 2.515 4.496 0.00 0.00 +ATOM 24180 H2 WAT X7364 4.495 3.446 5.441 0.00 0.00 +ATOM 24181 O WAT X7365 36.734 11.688 34.437 0.00 0.00 +ATOM 24182 H1 WAT X7365 36.471 12.556 34.132 0.00 0.00 +ATOM 24183 H2 WAT X7365 37.166 11.850 35.276 0.00 0.00 +ATOM 24184 O WAT X7366 19.040 14.188 2.207 0.00 0.00 +ATOM 24185 H1 WAT X7366 19.404 13.330 1.991 0.00 0.00 +ATOM 24186 H2 WAT X7366 18.776 14.556 1.364 0.00 0.00 +ATOM 24187 O WAT X7367 58.109 19.297 53.688 0.00 0.00 +ATOM 24188 H1 WAT X7367 57.548 19.113 52.935 0.00 0.00 +ATOM 24189 H2 WAT X7367 58.460 18.443 53.940 0.00 0.00 +ATOM 24190 O WAT X7368 55.110 58.228 11.217 0.00 0.00 +ATOM 24191 H1 WAT X7368 55.668 57.525 10.886 0.00 0.00 +ATOM 24192 H2 WAT X7368 54.420 57.778 11.705 0.00 0.00 +ATOM 24193 O WAT X7369 76.162 62.123 6.969 0.00 0.00 +ATOM 24194 H1 WAT X7369 76.653 61.361 6.660 0.00 0.00 +ATOM 24195 H2 WAT X7369 76.832 62.718 7.306 0.00 0.00 +ATOM 24196 O WAT X7370 60.774 13.859 3.447 0.00 0.00 +ATOM 24197 H1 WAT X7370 61.620 14.221 3.709 0.00 0.00 +ATOM 24198 H2 WAT X7370 60.299 13.741 4.269 0.00 0.00 +ATOM 24199 O WAT X7371 73.055 2.495 5.908 0.00 0.00 +ATOM 24200 H1 WAT X7371 73.610 3.201 6.239 0.00 0.00 +ATOM 24201 H2 WAT X7371 73.647 1.947 5.392 0.00 0.00 +ATOM 24202 O WAT X7372 73.521 24.834 16.255 0.00 0.00 +ATOM 24203 H1 WAT X7372 73.849 24.914 17.151 0.00 0.00 +ATOM 24204 H2 WAT X7372 72.924 25.575 16.152 0.00 0.00 +ATOM 24205 O WAT X7373 51.570 18.540 16.220 0.00 0.00 +ATOM 24206 H1 WAT X7373 52.079 19.198 15.747 0.00 0.00 +ATOM 24207 H2 WAT X7373 50.665 18.696 15.949 0.00 0.00 +ATOM 24208 O WAT X7374 16.180 16.406 48.384 0.00 0.00 +ATOM 24209 H1 WAT X7374 16.222 17.189 47.835 0.00 0.00 +ATOM 24210 H2 WAT X7374 17.083 16.090 48.419 0.00 0.00 +ATOM 24211 O WAT X7375 9.102 45.729 2.964 0.00 0.00 +ATOM 24212 H1 WAT X7375 9.607 45.812 2.155 0.00 0.00 +ATOM 24213 H2 WAT X7375 9.554 46.298 3.588 0.00 0.00 +ATOM 24214 O WAT X7376 12.392 23.251 36.302 0.00 0.00 +ATOM 24215 H1 WAT X7376 12.693 23.248 35.393 0.00 0.00 +ATOM 24216 H2 WAT X7376 11.605 22.706 36.295 0.00 0.00 +ATOM 24217 O WAT X7377 58.863 52.290 35.749 0.00 0.00 +ATOM 24218 H1 WAT X7377 58.956 52.380 34.801 0.00 0.00 +ATOM 24219 H2 WAT X7377 59.552 51.675 36.001 0.00 0.00 +ATOM 24220 O WAT X7378 14.747 25.682 46.961 0.00 0.00 +ATOM 24221 H1 WAT X7378 14.464 26.493 46.539 0.00 0.00 +ATOM 24222 H2 WAT X7378 14.014 25.438 47.526 0.00 0.00 +ATOM 24223 O WAT X7379 6.094 0.337 13.443 0.00 0.00 +ATOM 24224 H1 WAT X7379 6.101 0.488 12.498 0.00 0.00 +ATOM 24225 H2 WAT X7379 6.477 -0.534 13.549 0.00 0.00 +ATOM 24226 O WAT X7380 56.631 43.596 3.661 0.00 0.00 +ATOM 24227 H1 WAT X7380 57.469 44.046 3.562 0.00 0.00 +ATOM 24228 H2 WAT X7380 56.322 43.853 4.530 0.00 0.00 +ATOM 24229 O WAT X7381 71.369 60.925 3.235 0.00 0.00 +ATOM 24230 H1 WAT X7381 70.866 61.220 3.994 0.00 0.00 +ATOM 24231 H2 WAT X7381 71.657 61.732 2.809 0.00 0.00 +ATOM 24232 O WAT X7382 71.220 40.259 39.958 0.00 0.00 +ATOM 24233 H1 WAT X7382 71.834 40.826 40.425 0.00 0.00 +ATOM 24234 H2 WAT X7382 71.705 39.963 39.188 0.00 0.00 +ATOM 24235 O WAT X7383 31.393 44.735 34.135 0.00 0.00 +ATOM 24236 H1 WAT X7383 31.896 44.131 33.588 0.00 0.00 +ATOM 24237 H2 WAT X7383 30.481 44.478 33.999 0.00 0.00 +ATOM 24238 O WAT X7384 74.895 11.766 17.617 0.00 0.00 +ATOM 24239 H1 WAT X7384 75.475 12.036 16.905 0.00 0.00 +ATOM 24240 H2 WAT X7384 75.001 12.445 18.283 0.00 0.00 +ATOM 24241 O WAT X7385 10.842 24.460 16.182 0.00 0.00 +ATOM 24242 H1 WAT X7385 10.397 23.958 16.865 0.00 0.00 +ATOM 24243 H2 WAT X7385 11.699 24.665 16.556 0.00 0.00 +ATOM 24244 O WAT X7386 47.204 9.701 7.413 0.00 0.00 +ATOM 24245 H1 WAT X7386 47.774 10.058 6.732 0.00 0.00 +ATOM 24246 H2 WAT X7386 47.239 8.753 7.282 0.00 0.00 +ATOM 24247 O WAT X7387 2.953 51.732 19.881 0.00 0.00 +ATOM 24248 H1 WAT X7387 3.848 51.546 19.597 0.00 0.00 +ATOM 24249 H2 WAT X7387 2.405 51.182 19.321 0.00 0.00 +ATOM 24250 O WAT X7388 10.123 55.487 24.625 0.00 0.00 +ATOM 24251 H1 WAT X7388 9.637 56.310 24.671 0.00 0.00 +ATOM 24252 H2 WAT X7388 9.451 54.808 24.688 0.00 0.00 +ATOM 24253 O WAT X7389 46.785 17.238 34.305 0.00 0.00 +ATOM 24254 H1 WAT X7389 46.469 17.557 33.460 0.00 0.00 +ATOM 24255 H2 WAT X7389 45.990 17.059 34.807 0.00 0.00 +ATOM 24256 O WAT X7390 5.400 45.314 46.863 0.00 0.00 +ATOM 24257 H1 WAT X7390 5.629 45.544 45.962 0.00 0.00 +ATOM 24258 H2 WAT X7390 4.551 45.732 47.008 0.00 0.00 +ATOM 24259 O WAT X7391 77.130 62.736 37.904 0.00 0.00 +ATOM 24260 H1 WAT X7391 77.845 62.241 37.505 0.00 0.00 +ATOM 24261 H2 WAT X7391 77.001 62.326 38.759 0.00 0.00 +ATOM 24262 O WAT X7392 21.614 53.001 33.535 0.00 0.00 +ATOM 24263 H1 WAT X7392 21.929 53.603 34.209 0.00 0.00 +ATOM 24264 H2 WAT X7392 20.660 53.043 33.603 0.00 0.00 +ATOM 24265 O WAT X7393 74.226 20.933 13.228 0.00 0.00 +ATOM 24266 H1 WAT X7393 74.826 20.720 12.513 0.00 0.00 +ATOM 24267 H2 WAT X7393 73.964 20.083 13.582 0.00 0.00 +ATOM 24268 O WAT X7394 13.866 9.607 37.148 0.00 0.00 +ATOM 24269 H1 WAT X7394 12.998 9.674 36.751 0.00 0.00 +ATOM 24270 H2 WAT X7394 14.038 10.481 37.499 0.00 0.00 +ATOM 24271 O WAT X7395 19.359 50.859 50.997 0.00 0.00 +ATOM 24272 H1 WAT X7395 20.189 51.310 50.848 0.00 0.00 +ATOM 24273 H2 WAT X7395 18.714 51.563 51.074 0.00 0.00 +ATOM 24274 O WAT X7396 64.423 58.107 41.294 0.00 0.00 +ATOM 24275 H1 WAT X7396 63.511 58.217 41.024 0.00 0.00 +ATOM 24276 H2 WAT X7396 64.427 58.335 42.223 0.00 0.00 +ATOM 24277 O WAT X7397 72.327 42.022 41.674 0.00 0.00 +ATOM 24278 H1 WAT X7397 72.381 42.759 42.283 0.00 0.00 +ATOM 24279 H2 WAT X7397 72.624 42.380 40.838 0.00 0.00 +ATOM 24280 O WAT X7398 62.833 48.586 41.761 0.00 0.00 +ATOM 24281 H1 WAT X7398 62.527 48.601 42.668 0.00 0.00 +ATOM 24282 H2 WAT X7398 63.482 49.289 41.716 0.00 0.00 +ATOM 24283 O WAT X7399 12.535 37.646 54.776 0.00 0.00 +ATOM 24284 H1 WAT X7399 12.706 38.120 53.963 0.00 0.00 +ATOM 24285 H2 WAT X7399 11.766 38.077 55.148 0.00 0.00 +ATOM 24286 O WAT X7400 74.710 63.302 4.933 0.00 0.00 +ATOM 24287 H1 WAT X7400 74.524 62.427 4.592 0.00 0.00 +ATOM 24288 H2 WAT X7400 75.265 63.148 5.698 0.00 0.00 +ATOM 24289 O WAT X7401 25.022 32.206 10.802 0.00 0.00 +ATOM 24290 H1 WAT X7401 24.543 31.910 10.028 0.00 0.00 +ATOM 24291 H2 WAT X7401 24.465 31.954 11.539 0.00 0.00 +ATOM 24292 O WAT X7402 30.162 8.073 34.710 0.00 0.00 +ATOM 24293 H1 WAT X7402 30.382 8.978 34.489 0.00 0.00 +ATOM 24294 H2 WAT X7402 29.724 8.133 35.559 0.00 0.00 +ATOM 24295 O WAT X7403 51.173 3.362 54.756 0.00 0.00 +ATOM 24296 H1 WAT X7403 51.664 2.573 54.526 0.00 0.00 +ATOM 24297 H2 WAT X7403 50.317 3.240 54.345 0.00 0.00 +ATOM 24298 O WAT X7404 29.527 8.866 7.317 0.00 0.00 +ATOM 24299 H1 WAT X7404 29.060 8.435 8.033 0.00 0.00 +ATOM 24300 H2 WAT X7404 29.865 8.147 6.784 0.00 0.00 +ATOM 24301 O WAT X7405 73.851 32.297 45.679 0.00 0.00 +ATOM 24302 H1 WAT X7405 74.408 33.029 45.415 0.00 0.00 +ATOM 24303 H2 WAT X7405 73.381 32.619 46.449 0.00 0.00 +ATOM 24304 O WAT X7406 9.594 54.711 57.781 0.00 0.00 +ATOM 24305 H1 WAT X7406 9.147 54.331 57.025 0.00 0.00 +ATOM 24306 H2 WAT X7406 9.250 54.227 58.531 0.00 0.00 +ATOM 24307 O WAT X7407 18.020 62.051 22.814 0.00 0.00 +ATOM 24308 H1 WAT X7407 17.980 62.408 21.926 0.00 0.00 +ATOM 24309 H2 WAT X7407 18.498 62.711 23.316 0.00 0.00 +ATOM 24310 O WAT X7408 2.846 58.571 16.972 0.00 0.00 +ATOM 24311 H1 WAT X7408 2.567 59.272 17.561 0.00 0.00 +ATOM 24312 H2 WAT X7408 2.338 57.809 17.250 0.00 0.00 +ATOM 24313 O WAT X7409 65.254 27.743 22.626 0.00 0.00 +ATOM 24314 H1 WAT X7409 65.687 27.140 22.021 0.00 0.00 +ATOM 24315 H2 WAT X7409 64.510 27.246 22.968 0.00 0.00 +ATOM 24316 O WAT X7410 38.234 25.044 54.720 0.00 0.00 +ATOM 24317 H1 WAT X7410 37.283 25.103 54.622 0.00 0.00 +ATOM 24318 H2 WAT X7410 38.490 25.892 55.082 0.00 0.00 +ATOM 24319 O WAT X7411 71.543 2.790 1.523 0.00 0.00 +ATOM 24320 H1 WAT X7411 71.124 3.528 1.080 0.00 0.00 +ATOM 24321 H2 WAT X7411 71.516 3.022 2.451 0.00 0.00 +ATOM 24322 O WAT X7412 41.183 43.839 20.880 0.00 0.00 +ATOM 24323 H1 WAT X7412 40.990 44.763 21.036 0.00 0.00 +ATOM 24324 H2 WAT X7412 42.107 43.826 20.627 0.00 0.00 +ATOM 24325 O WAT X7413 6.839 33.592 32.152 0.00 0.00 +ATOM 24326 H1 WAT X7413 6.311 34.380 32.018 0.00 0.00 +ATOM 24327 H2 WAT X7413 6.321 33.056 32.752 0.00 0.00 +ATOM 24328 O WAT X7414 65.931 10.505 47.843 0.00 0.00 +ATOM 24329 H1 WAT X7414 65.335 9.964 47.326 0.00 0.00 +ATOM 24330 H2 WAT X7414 65.476 11.342 47.935 0.00 0.00 +ATOM 24331 O WAT X7415 42.251 26.395 1.159 0.00 0.00 +ATOM 24332 H1 WAT X7415 43.030 26.498 0.611 0.00 0.00 +ATOM 24333 H2 WAT X7415 42.407 25.587 1.647 0.00 0.00 +ATOM 24334 O WAT X7416 9.309 13.424 31.138 0.00 0.00 +ATOM 24335 H1 WAT X7416 8.535 13.377 30.578 0.00 0.00 +ATOM 24336 H2 WAT X7416 9.746 12.581 31.014 0.00 0.00 +ATOM 24337 O WAT X7417 72.292 7.161 24.240 0.00 0.00 +ATOM 24338 H1 WAT X7417 71.716 6.937 23.509 0.00 0.00 +ATOM 24339 H2 WAT X7417 72.819 7.891 23.915 0.00 0.00 +ATOM 24340 O WAT X7418 69.471 7.848 53.300 0.00 0.00 +ATOM 24341 H1 WAT X7418 70.044 8.220 53.971 0.00 0.00 +ATOM 24342 H2 WAT X7418 68.792 8.510 53.171 0.00 0.00 +ATOM 24343 O WAT X7419 1.299 27.089 12.091 0.00 0.00 +ATOM 24344 H1 WAT X7419 2.139 26.630 12.093 0.00 0.00 +ATOM 24345 H2 WAT X7419 0.681 26.461 12.464 0.00 0.00 +ATOM 24346 O WAT X7420 30.547 58.152 43.953 0.00 0.00 +ATOM 24347 H1 WAT X7420 31.217 58.605 44.465 0.00 0.00 +ATOM 24348 H2 WAT X7420 30.839 58.240 43.046 0.00 0.00 +ATOM 24349 O WAT X7421 29.658 45.777 55.623 0.00 0.00 +ATOM 24350 H1 WAT X7421 28.831 45.971 56.064 0.00 0.00 +ATOM 24351 H2 WAT X7421 30.331 46.088 56.229 0.00 0.00 +ATOM 24352 O WAT X7422 10.224 57.481 57.252 0.00 0.00 +ATOM 24353 H1 WAT X7422 10.214 56.602 57.629 0.00 0.00 +ATOM 24354 H2 WAT X7422 9.306 57.669 57.057 0.00 0.00 +ATOM 24355 O WAT X7423 29.047 42.212 18.612 0.00 0.00 +ATOM 24356 H1 WAT X7423 29.871 41.789 18.371 0.00 0.00 +ATOM 24357 H2 WAT X7423 28.713 42.572 17.791 0.00 0.00 +ATOM 24358 O WAT X7424 63.443 51.143 46.127 0.00 0.00 +ATOM 24359 H1 WAT X7424 63.708 52.038 46.336 0.00 0.00 +ATOM 24360 H2 WAT X7424 63.991 50.899 45.381 0.00 0.00 +ATOM 24361 O WAT X7425 10.607 46.304 6.477 0.00 0.00 +ATOM 24362 H1 WAT X7425 10.855 46.858 7.217 0.00 0.00 +ATOM 24363 H2 WAT X7425 10.452 46.917 5.759 0.00 0.00 +ATOM 24364 O WAT X7426 56.294 53.610 57.985 0.00 0.00 +ATOM 24365 H1 WAT X7426 56.548 53.272 58.843 0.00 0.00 +ATOM 24366 H2 WAT X7426 55.899 54.462 58.170 0.00 0.00 +ATOM 24367 O WAT X7427 26.939 32.897 50.944 0.00 0.00 +ATOM 24368 H1 WAT X7427 27.026 33.149 51.864 0.00 0.00 +ATOM 24369 H2 WAT X7427 26.672 31.979 50.971 0.00 0.00 +ATOM 24370 O WAT X7428 6.689 53.562 29.184 0.00 0.00 +ATOM 24371 H1 WAT X7428 7.338 54.142 28.786 0.00 0.00 +ATOM 24372 H2 WAT X7428 5.884 53.732 28.695 0.00 0.00 +ATOM 24373 O WAT X7429 17.432 48.350 24.232 0.00 0.00 +ATOM 24374 H1 WAT X7429 16.996 48.099 25.047 0.00 0.00 +ATOM 24375 H2 WAT X7429 16.939 49.109 23.921 0.00 0.00 +ATOM 24376 O WAT X7430 36.616 53.271 55.093 0.00 0.00 +ATOM 24377 H1 WAT X7430 37.114 54.014 55.433 0.00 0.00 +ATOM 24378 H2 WAT X7430 36.904 53.185 54.185 0.00 0.00 +ATOM 24379 O WAT X7431 6.901 22.971 38.112 0.00 0.00 +ATOM 24380 H1 WAT X7431 7.472 23.266 37.403 0.00 0.00 +ATOM 24381 H2 WAT X7431 6.393 22.256 37.729 0.00 0.00 +ATOM 24382 O WAT X7432 11.193 50.843 5.298 0.00 0.00 +ATOM 24383 H1 WAT X7432 10.460 51.191 5.805 0.00 0.00 +ATOM 24384 H2 WAT X7432 11.972 51.158 5.756 0.00 0.00 +ATOM 24385 O WAT X7433 75.213 33.619 12.190 0.00 0.00 +ATOM 24386 H1 WAT X7433 75.437 33.619 11.259 0.00 0.00 +ATOM 24387 H2 WAT X7433 75.705 32.883 12.555 0.00 0.00 +ATOM 24388 O WAT X7434 15.997 35.824 52.583 0.00 0.00 +ATOM 24389 H1 WAT X7434 16.516 36.616 52.722 0.00 0.00 +ATOM 24390 H2 WAT X7434 15.337 35.846 53.275 0.00 0.00 +ATOM 24391 O WAT X7435 0.152 34.426 17.131 0.00 0.00 +ATOM 24392 H1 WAT X7435 -0.142 35.242 17.537 0.00 0.00 +ATOM 24393 H2 WAT X7435 0.200 34.627 16.196 0.00 0.00 +ATOM 24394 O WAT X7436 60.880 2.728 24.880 0.00 0.00 +ATOM 24395 H1 WAT X7436 60.731 3.413 25.531 0.00 0.00 +ATOM 24396 H2 WAT X7436 61.517 3.106 24.274 0.00 0.00 +ATOM 24397 O WAT X7437 49.022 18.377 21.558 0.00 0.00 +ATOM 24398 H1 WAT X7437 48.862 19.013 22.255 0.00 0.00 +ATOM 24399 H2 WAT X7437 49.396 17.619 22.007 0.00 0.00 +ATOM 24400 O WAT X7438 24.772 20.022 39.246 0.00 0.00 +ATOM 24401 H1 WAT X7438 25.456 20.662 39.443 0.00 0.00 +ATOM 24402 H2 WAT X7438 24.497 20.232 38.354 0.00 0.00 +ATOM 24403 O WAT X7439 61.841 5.963 23.206 0.00 0.00 +ATOM 24404 H1 WAT X7439 61.824 6.436 24.039 0.00 0.00 +ATOM 24405 H2 WAT X7439 62.149 6.608 22.570 0.00 0.00 +ATOM 24406 O WAT X7440 18.526 50.328 8.674 0.00 0.00 +ATOM 24407 H1 WAT X7440 18.822 49.430 8.521 0.00 0.00 +ATOM 24408 H2 WAT X7440 19.227 50.875 8.320 0.00 0.00 +ATOM 24409 O WAT X7441 46.858 59.303 52.711 0.00 0.00 +ATOM 24410 H1 WAT X7441 46.310 58.557 52.958 0.00 0.00 +ATOM 24411 H2 WAT X7441 46.692 59.957 53.390 0.00 0.00 +ATOM 24412 O WAT X7442 37.649 18.329 16.005 0.00 0.00 +ATOM 24413 H1 WAT X7442 38.565 18.241 16.268 0.00 0.00 +ATOM 24414 H2 WAT X7442 37.295 17.442 16.066 0.00 0.00 +ATOM 24415 O WAT X7443 19.482 43.730 43.996 0.00 0.00 +ATOM 24416 H1 WAT X7443 18.720 43.308 44.393 0.00 0.00 +ATOM 24417 H2 WAT X7443 19.142 44.137 43.199 0.00 0.00 +ATOM 24418 O WAT X7444 25.851 55.934 49.661 0.00 0.00 +ATOM 24419 H1 WAT X7444 26.109 56.698 49.146 0.00 0.00 +ATOM 24420 H2 WAT X7444 25.116 56.239 50.192 0.00 0.00 +ATOM 24421 O WAT X7445 6.874 41.945 25.078 0.00 0.00 +ATOM 24422 H1 WAT X7445 5.931 41.903 24.921 0.00 0.00 +ATOM 24423 H2 WAT X7445 7.224 41.167 24.643 0.00 0.00 +ATOM 24424 O WAT X7446 20.416 5.635 20.359 0.00 0.00 +ATOM 24425 H1 WAT X7446 21.339 5.657 20.105 0.00 0.00 +ATOM 24426 H2 WAT X7446 19.997 5.093 19.691 0.00 0.00 +ATOM 24427 O WAT X7447 53.666 53.236 33.674 0.00 0.00 +ATOM 24428 H1 WAT X7447 53.338 52.387 33.375 0.00 0.00 +ATOM 24429 H2 WAT X7447 54.292 53.501 33.000 0.00 0.00 +ATOM 24430 O WAT X7448 76.945 41.685 30.180 0.00 0.00 +ATOM 24431 H1 WAT X7448 76.104 42.122 30.047 0.00 0.00 +ATOM 24432 H2 WAT X7448 77.386 42.212 30.846 0.00 0.00 +ATOM 24433 O WAT X7449 5.011 53.178 34.704 0.00 0.00 +ATOM 24434 H1 WAT X7449 5.672 53.857 34.842 0.00 0.00 +ATOM 24435 H2 WAT X7449 4.285 53.634 34.277 0.00 0.00 +ATOM 24436 O WAT X7450 41.396 41.279 47.349 0.00 0.00 +ATOM 24437 H1 WAT X7450 40.487 41.560 47.252 0.00 0.00 +ATOM 24438 H2 WAT X7450 41.911 42.011 47.010 0.00 0.00 +ATOM 24439 O WAT X7451 3.875 12.932 30.858 0.00 0.00 +ATOM 24440 H1 WAT X7451 4.803 13.167 30.875 0.00 0.00 +ATOM 24441 H2 WAT X7451 3.871 11.975 30.839 0.00 0.00 +ATOM 24442 O WAT X7452 53.622 56.759 39.670 0.00 0.00 +ATOM 24443 H1 WAT X7452 53.996 57.392 40.283 0.00 0.00 +ATOM 24444 H2 WAT X7452 53.197 56.108 40.228 0.00 0.00 +ATOM 24445 O WAT X7453 53.735 10.708 27.120 0.00 0.00 +ATOM 24446 H1 WAT X7453 54.582 10.309 27.322 0.00 0.00 +ATOM 24447 H2 WAT X7453 53.241 10.014 26.684 0.00 0.00 +ATOM 24448 O WAT X7454 41.850 18.889 26.791 0.00 0.00 +ATOM 24449 H1 WAT X7454 42.156 19.305 27.597 0.00 0.00 +ATOM 24450 H2 WAT X7454 41.876 19.588 26.137 0.00 0.00 +ATOM 24451 O WAT X7455 9.955 55.030 30.836 0.00 0.00 +ATOM 24452 H1 WAT X7455 10.227 55.932 30.667 0.00 0.00 +ATOM 24453 H2 WAT X7455 9.751 54.676 29.970 0.00 0.00 +ATOM 24454 O WAT X7456 74.935 43.356 48.016 0.00 0.00 +ATOM 24455 H1 WAT X7456 75.121 42.433 48.191 0.00 0.00 +ATOM 24456 H2 WAT X7456 75.335 43.823 48.750 0.00 0.00 +ATOM 24457 O WAT X7457 73.802 12.218 57.967 0.00 0.00 +ATOM 24458 H1 WAT X7457 72.955 12.018 58.365 0.00 0.00 +ATOM 24459 H2 WAT X7457 74.294 11.399 58.026 0.00 0.00 +ATOM 24460 O WAT X7458 73.885 3.080 27.961 0.00 0.00 +ATOM 24461 H1 WAT X7458 74.833 3.069 28.092 0.00 0.00 +ATOM 24462 H2 WAT X7458 73.521 3.010 28.844 0.00 0.00 +ATOM 24463 O WAT X7459 3.374 41.425 0.914 0.00 0.00 +ATOM 24464 H1 WAT X7459 3.086 42.133 0.338 0.00 0.00 +ATOM 24465 H2 WAT X7459 4.221 41.156 0.558 0.00 0.00 +ATOM 24466 O WAT X7460 23.795 37.428 45.331 0.00 0.00 +ATOM 24467 H1 WAT X7460 24.275 37.764 46.088 0.00 0.00 +ATOM 24468 H2 WAT X7460 24.399 36.809 44.920 0.00 0.00 +ATOM 24469 O WAT X7461 59.144 54.335 8.227 0.00 0.00 +ATOM 24470 H1 WAT X7461 59.547 54.423 7.364 0.00 0.00 +ATOM 24471 H2 WAT X7461 59.882 54.227 8.826 0.00 0.00 +ATOM 24472 O WAT X7462 12.377 51.922 42.950 0.00 0.00 +ATOM 24473 H1 WAT X7462 11.750 51.460 43.506 0.00 0.00 +ATOM 24474 H2 WAT X7462 13.075 51.286 42.796 0.00 0.00 +ATOM 24475 O WAT X7463 23.377 42.293 49.407 0.00 0.00 +ATOM 24476 H1 WAT X7463 22.880 41.636 48.919 0.00 0.00 +ATOM 24477 H2 WAT X7463 22.980 42.297 50.278 0.00 0.00 +ATOM 24478 O WAT X7464 21.176 45.809 42.365 0.00 0.00 +ATOM 24479 H1 WAT X7464 21.097 46.384 43.127 0.00 0.00 +ATOM 24480 H2 WAT X7464 21.307 44.937 42.736 0.00 0.00 +ATOM 24481 O WAT X7465 57.155 4.621 3.150 0.00 0.00 +ATOM 24482 H1 WAT X7465 57.090 5.462 2.698 0.00 0.00 +ATOM 24483 H2 WAT X7465 56.967 3.971 2.473 0.00 0.00 +ATOM 24484 O WAT X7466 6.457 61.776 18.885 0.00 0.00 +ATOM 24485 H1 WAT X7466 6.147 61.916 19.779 0.00 0.00 +ATOM 24486 H2 WAT X7466 5.665 61.578 18.385 0.00 0.00 +ATOM 24487 O WAT X7467 48.161 60.154 50.481 0.00 0.00 +ATOM 24488 H1 WAT X7467 47.545 59.701 51.057 0.00 0.00 +ATOM 24489 H2 WAT X7467 47.833 59.983 49.598 0.00 0.00 +ATOM 24490 O WAT X7468 5.196 61.939 21.208 0.00 0.00 +ATOM 24491 H1 WAT X7468 4.362 62.329 20.948 0.00 0.00 +ATOM 24492 H2 WAT X7468 4.954 61.116 21.631 0.00 0.00 +ATOM 24493 O WAT X7469 22.351 25.896 11.092 0.00 0.00 +ATOM 24494 H1 WAT X7469 22.557 25.635 10.194 0.00 0.00 +ATOM 24495 H2 WAT X7469 21.745 25.223 11.403 0.00 0.00 +ATOM 24496 O WAT X7470 4.894 44.212 1.714 0.00 0.00 +ATOM 24497 H1 WAT X7470 5.127 43.418 2.194 0.00 0.00 +ATOM 24498 H2 WAT X7470 3.967 44.348 1.912 0.00 0.00 +ATOM 24499 O WAT X7471 42.577 0.621 51.918 0.00 0.00 +ATOM 24500 H1 WAT X7471 43.125 1.195 52.453 0.00 0.00 +ATOM 24501 H2 WAT X7471 42.295 1.171 51.187 0.00 0.00 +ATOM 24502 O WAT X7472 11.115 62.691 25.223 0.00 0.00 +ATOM 24503 H1 WAT X7472 11.238 61.755 25.385 0.00 0.00 +ATOM 24504 H2 WAT X7472 10.632 62.730 24.398 0.00 0.00 +ATOM 24505 O WAT X7473 72.989 24.947 0.778 0.00 0.00 +ATOM 24506 H1 WAT X7473 73.246 24.544 -0.051 0.00 0.00 +ATOM 24507 H2 WAT X7473 72.802 24.208 1.357 0.00 0.00 +ATOM 24508 O WAT X7474 77.289 1.394 50.174 0.00 0.00 +ATOM 24509 H1 WAT X7474 78.214 1.513 50.390 0.00 0.00 +ATOM 24510 H2 WAT X7474 76.880 2.228 50.406 0.00 0.00 +ATOM 24511 O WAT X7475 68.395 25.944 34.615 0.00 0.00 +ATOM 24512 H1 WAT X7475 68.079 26.286 35.452 0.00 0.00 +ATOM 24513 H2 WAT X7475 68.948 25.200 34.854 0.00 0.00 +ATOM 24514 O WAT X7476 57.941 47.907 29.152 0.00 0.00 +ATOM 24515 H1 WAT X7476 57.160 48.021 28.609 0.00 0.00 +ATOM 24516 H2 WAT X7476 57.712 47.200 29.755 0.00 0.00 +ATOM 24517 O WAT X7477 4.591 42.431 14.625 0.00 0.00 +ATOM 24518 H1 WAT X7477 4.197 42.987 15.297 0.00 0.00 +ATOM 24519 H2 WAT X7477 3.845 42.035 14.174 0.00 0.00 +ATOM 24520 O WAT X7478 29.193 42.997 57.813 0.00 0.00 +ATOM 24521 H1 WAT X7478 28.549 43.670 57.593 0.00 0.00 +ATOM 24522 H2 WAT X7478 29.407 42.587 56.975 0.00 0.00 +ATOM 24523 O WAT X7479 75.488 22.815 22.180 0.00 0.00 +ATOM 24524 H1 WAT X7479 76.038 22.838 21.397 0.00 0.00 +ATOM 24525 H2 WAT X7479 75.861 22.114 22.715 0.00 0.00 +ATOM 24526 O WAT X7480 25.421 45.291 34.521 0.00 0.00 +ATOM 24527 H1 WAT X7480 24.469 45.195 34.528 0.00 0.00 +ATOM 24528 H2 WAT X7480 25.578 46.156 34.900 0.00 0.00 +ATOM 24529 O WAT X7481 1.573 61.387 37.025 0.00 0.00 +ATOM 24530 H1 WAT X7481 1.117 60.553 37.135 0.00 0.00 +ATOM 24531 H2 WAT X7481 2.133 61.457 37.799 0.00 0.00 +ATOM 24532 O WAT X7482 70.159 62.749 33.578 0.00 0.00 +ATOM 24533 H1 WAT X7482 69.961 61.875 33.242 0.00 0.00 +ATOM 24534 H2 WAT X7482 69.893 63.342 32.874 0.00 0.00 +ATOM 24535 O WAT X7483 53.650 49.349 2.028 0.00 0.00 +ATOM 24536 H1 WAT X7483 54.421 49.660 2.503 0.00 0.00 +ATOM 24537 H2 WAT X7483 53.430 50.067 1.434 0.00 0.00 +ATOM 24538 O WAT X7484 65.659 56.388 39.447 0.00 0.00 +ATOM 24539 H1 WAT X7484 65.457 57.020 40.137 0.00 0.00 +ATOM 24540 H2 WAT X7484 64.958 56.502 38.805 0.00 0.00 +ATOM 24541 O WAT X7485 0.448 58.940 37.350 0.00 0.00 +ATOM 24542 H1 WAT X7485 -0.342 58.555 37.730 0.00 0.00 +ATOM 24543 H2 WAT X7485 1.169 58.495 37.796 0.00 0.00 +ATOM 24544 O WAT X7486 13.873 23.253 22.868 0.00 0.00 +ATOM 24545 H1 WAT X7486 13.754 23.641 22.001 0.00 0.00 +ATOM 24546 H2 WAT X7486 14.069 23.997 23.438 0.00 0.00 +ATOM 24547 O WAT X7487 9.396 47.560 23.132 0.00 0.00 +ATOM 24548 H1 WAT X7487 9.386 48.038 23.962 0.00 0.00 +ATOM 24549 H2 WAT X7487 8.715 47.978 22.606 0.00 0.00 +ATOM 24550 O WAT X7488 77.908 34.809 23.365 0.00 0.00 +ATOM 24551 H1 WAT X7488 78.265 33.923 23.302 0.00 0.00 +ATOM 24552 H2 WAT X7488 76.963 34.680 23.452 0.00 0.00 +ATOM 24553 O WAT X7489 20.696 21.015 37.351 0.00 0.00 +ATOM 24554 H1 WAT X7489 21.293 21.254 36.642 0.00 0.00 +ATOM 24555 H2 WAT X7489 19.857 21.399 37.098 0.00 0.00 +ATOM 24556 O WAT X7490 72.580 11.895 47.920 0.00 0.00 +ATOM 24557 H1 WAT X7490 72.196 12.000 48.790 0.00 0.00 +ATOM 24558 H2 WAT X7490 73.507 11.721 48.087 0.00 0.00 +ATOM 24559 O WAT X7491 23.897 22.712 19.053 0.00 0.00 +ATOM 24560 H1 WAT X7491 23.076 22.267 19.264 0.00 0.00 +ATOM 24561 H2 WAT X7491 23.936 23.446 19.666 0.00 0.00 +ATOM 24562 O WAT X7492 74.334 29.505 57.576 0.00 0.00 +ATOM 24563 H1 WAT X7492 74.459 29.583 56.630 0.00 0.00 +ATOM 24564 H2 WAT X7492 73.486 29.917 57.740 0.00 0.00 +ATOM 24565 O WAT X7493 62.818 19.896 58.721 0.00 0.00 +ATOM 24566 H1 WAT X7493 62.614 19.822 57.789 0.00 0.00 +ATOM 24567 H2 WAT X7493 63.746 20.132 58.745 0.00 0.00 +ATOM 24568 O WAT X7494 3.055 41.787 47.432 0.00 0.00 +ATOM 24569 H1 WAT X7494 2.597 42.401 46.858 0.00 0.00 +ATOM 24570 H2 WAT X7494 2.358 41.259 47.823 0.00 0.00 +ATOM 24571 O WAT X7495 70.638 52.718 21.119 0.00 0.00 +ATOM 24572 H1 WAT X7495 70.090 52.728 21.904 0.00 0.00 +ATOM 24573 H2 WAT X7495 70.694 53.636 20.854 0.00 0.00 +ATOM 24574 O WAT X7496 15.896 18.984 56.034 0.00 0.00 +ATOM 24575 H1 WAT X7496 15.137 19.406 56.437 0.00 0.00 +ATOM 24576 H2 WAT X7496 15.565 18.637 55.206 0.00 0.00 +ATOM 24577 O WAT X7497 62.585 53.313 25.667 0.00 0.00 +ATOM 24578 H1 WAT X7497 62.415 52.559 26.231 0.00 0.00 +ATOM 24579 H2 WAT X7497 63.519 53.492 25.782 0.00 0.00 +ATOM 24580 O WAT X7498 29.506 8.934 51.017 0.00 0.00 +ATOM 24581 H1 WAT X7498 30.257 9.025 51.604 0.00 0.00 +ATOM 24582 H2 WAT X7498 29.651 8.100 50.569 0.00 0.00 +ATOM 24583 O WAT X7499 19.608 3.970 54.067 0.00 0.00 +ATOM 24584 H1 WAT X7499 20.525 4.000 54.337 0.00 0.00 +ATOM 24585 H2 WAT X7499 19.318 3.088 54.302 0.00 0.00 +ATOM 24586 O WAT X7500 7.387 13.452 34.187 0.00 0.00 +ATOM 24587 H1 WAT X7500 6.624 13.275 33.637 0.00 0.00 +ATOM 24588 H2 WAT X7500 8.066 13.732 33.573 0.00 0.00 +ATOM 24589 O WAT X7501 9.841 13.036 51.819 0.00 0.00 +ATOM 24590 H1 WAT X7501 9.577 13.878 51.447 0.00 0.00 +ATOM 24591 H2 WAT X7501 9.768 13.159 52.765 0.00 0.00 +ATOM 24592 O WAT X7502 9.988 47.600 40.525 0.00 0.00 +ATOM 24593 H1 WAT X7502 10.269 46.708 40.730 0.00 0.00 +ATOM 24594 H2 WAT X7502 9.351 47.495 39.818 0.00 0.00 +ATOM 24595 O WAT X7503 13.640 20.202 29.982 0.00 0.00 +ATOM 24596 H1 WAT X7503 13.466 19.265 30.078 0.00 0.00 +ATOM 24597 H2 WAT X7503 13.815 20.318 29.048 0.00 0.00 +ATOM 24598 O WAT X7504 59.761 30.196 43.991 0.00 0.00 +ATOM 24599 H1 WAT X7504 60.129 31.048 43.753 0.00 0.00 +ATOM 24600 H2 WAT X7504 60.446 29.568 43.761 0.00 0.00 +ATOM 24601 O WAT X7505 6.289 57.690 32.888 0.00 0.00 +ATOM 24602 H1 WAT X7505 5.990 57.193 32.127 0.00 0.00 +ATOM 24603 H2 WAT X7505 6.410 57.032 33.572 0.00 0.00 +ATOM 24604 O WAT X7506 32.239 60.994 1.903 0.00 0.00 +ATOM 24605 H1 WAT X7506 32.449 60.190 1.427 0.00 0.00 +ATOM 24606 H2 WAT X7506 31.382 61.256 1.565 0.00 0.00 +ATOM 24607 O WAT X7507 59.044 33.006 54.535 0.00 0.00 +ATOM 24608 H1 WAT X7507 58.691 33.729 55.054 0.00 0.00 +ATOM 24609 H2 WAT X7507 59.947 32.912 54.840 0.00 0.00 +ATOM 24610 O WAT X7508 62.031 51.723 33.747 0.00 0.00 +ATOM 24611 H1 WAT X7508 62.928 51.612 33.432 0.00 0.00 +ATOM 24612 H2 WAT X7508 61.651 52.379 33.162 0.00 0.00 +ATOM 24613 O WAT X7509 65.522 6.539 35.454 0.00 0.00 +ATOM 24614 H1 WAT X7509 65.536 6.945 36.320 0.00 0.00 +ATOM 24615 H2 WAT X7509 66.191 7.010 34.957 0.00 0.00 +ATOM 24616 O WAT X7510 75.879 49.506 24.678 0.00 0.00 +ATOM 24617 H1 WAT X7510 74.995 49.572 24.318 0.00 0.00 +ATOM 24618 H2 WAT X7510 76.065 50.381 25.019 0.00 0.00 +ATOM 24619 O WAT X7511 43.358 0.688 8.101 0.00 0.00 +ATOM 24620 H1 WAT X7511 44.100 0.083 8.089 0.00 0.00 +ATOM 24621 H2 WAT X7511 43.371 1.064 8.981 0.00 0.00 +ATOM 24622 O WAT X7512 19.092 12.678 35.903 0.00 0.00 +ATOM 24623 H1 WAT X7512 19.817 12.723 35.280 0.00 0.00 +ATOM 24624 H2 WAT X7512 19.342 11.982 36.511 0.00 0.00 +ATOM 24625 O WAT X7513 6.093 21.318 56.381 0.00 0.00 +ATOM 24626 H1 WAT X7513 6.602 20.949 57.102 0.00 0.00 +ATOM 24627 H2 WAT X7513 6.257 22.260 56.428 0.00 0.00 +ATOM 24628 O WAT X7514 18.703 17.323 3.678 0.00 0.00 +ATOM 24629 H1 WAT X7514 18.893 16.413 3.453 0.00 0.00 +ATOM 24630 H2 WAT X7514 18.065 17.266 4.389 0.00 0.00 +ATOM 24631 O WAT X7515 58.518 55.393 15.980 0.00 0.00 +ATOM 24632 H1 WAT X7515 57.957 54.867 15.411 0.00 0.00 +ATOM 24633 H2 WAT X7515 58.408 55.006 16.849 0.00 0.00 +ATOM 24634 O WAT X7516 75.803 15.990 3.403 0.00 0.00 +ATOM 24635 H1 WAT X7516 75.618 15.604 4.259 0.00 0.00 +ATOM 24636 H2 WAT X7516 75.496 15.338 2.774 0.00 0.00 +ATOM 24637 O WAT X7517 10.216 6.726 40.935 0.00 0.00 +ATOM 24638 H1 WAT X7517 9.927 6.281 40.138 0.00 0.00 +ATOM 24639 H2 WAT X7517 11.165 6.801 40.837 0.00 0.00 +ATOM 24640 O WAT X7518 73.946 31.206 2.291 0.00 0.00 +ATOM 24641 H1 WAT X7518 73.578 31.548 1.477 0.00 0.00 +ATOM 24642 H2 WAT X7518 73.187 31.072 2.859 0.00 0.00 +ATOM 24643 O WAT X7519 71.432 19.701 28.876 0.00 0.00 +ATOM 24644 H1 WAT X7519 70.540 20.020 28.741 0.00 0.00 +ATOM 24645 H2 WAT X7519 71.339 18.751 28.946 0.00 0.00 +ATOM 24646 O WAT X7520 57.801 55.473 52.747 0.00 0.00 +ATOM 24647 H1 WAT X7520 57.936 54.900 51.993 0.00 0.00 +ATOM 24648 H2 WAT X7520 58.188 54.998 53.482 0.00 0.00 +ATOM 24649 O WAT X7521 20.540 29.655 49.667 0.00 0.00 +ATOM 24650 H1 WAT X7521 20.612 29.736 50.618 0.00 0.00 +ATOM 24651 H2 WAT X7521 19.608 29.776 49.487 0.00 0.00 +ATOM 24652 O WAT X7522 51.968 12.395 55.609 0.00 0.00 +ATOM 24653 H1 WAT X7522 51.981 11.454 55.432 0.00 0.00 +ATOM 24654 H2 WAT X7522 52.023 12.802 54.745 0.00 0.00 +ATOM 24655 O WAT X7523 46.109 55.395 10.135 0.00 0.00 +ATOM 24656 H1 WAT X7523 46.968 54.973 10.143 0.00 0.00 +ATOM 24657 H2 WAT X7523 45.601 54.892 9.497 0.00 0.00 +ATOM 24658 O WAT X7524 20.095 19.244 6.516 0.00 0.00 +ATOM 24659 H1 WAT X7524 20.018 19.609 5.635 0.00 0.00 +ATOM 24660 H2 WAT X7524 20.930 19.579 6.842 0.00 0.00 +ATOM 24661 O WAT X7525 56.645 50.500 9.336 0.00 0.00 +ATOM 24662 H1 WAT X7525 56.961 51.249 9.841 0.00 0.00 +ATOM 24663 H2 WAT X7525 57.122 50.552 8.508 0.00 0.00 +ATOM 24664 O WAT X7526 16.221 41.586 26.921 0.00 0.00 +ATOM 24665 H1 WAT X7526 17.098 41.806 26.609 0.00 0.00 +ATOM 24666 H2 WAT X7526 15.639 42.165 26.428 0.00 0.00 +ATOM 24667 O WAT X7527 56.002 2.015 15.878 0.00 0.00 +ATOM 24668 H1 WAT X7527 55.383 1.287 15.927 0.00 0.00 +ATOM 24669 H2 WAT X7527 56.616 1.761 15.189 0.00 0.00 +ATOM 24670 O WAT X7528 20.720 57.170 24.017 0.00 0.00 +ATOM 24671 H1 WAT X7528 20.190 57.857 23.613 0.00 0.00 +ATOM 24672 H2 WAT X7528 20.106 56.688 24.570 0.00 0.00 +ATOM 24673 O WAT X7529 36.363 19.844 58.049 0.00 0.00 +ATOM 24674 H1 WAT X7529 36.049 19.150 57.468 0.00 0.00 +ATOM 24675 H2 WAT X7529 36.654 20.538 57.458 0.00 0.00 +ATOM 24676 O WAT X7530 69.232 22.616 -0.150 0.00 0.00 +ATOM 24677 H1 WAT X7530 69.220 21.666 -0.266 0.00 0.00 +ATOM 24678 H2 WAT X7530 69.556 22.745 0.741 0.00 0.00 +ATOM 24679 O WAT X7531 77.164 22.435 16.240 0.00 0.00 +ATOM 24680 H1 WAT X7531 76.432 22.092 16.753 0.00 0.00 +ATOM 24681 H2 WAT X7531 77.944 22.137 16.706 0.00 0.00 +ATOM 24682 O WAT X7532 15.694 12.476 45.215 0.00 0.00 +ATOM 24683 H1 WAT X7532 15.986 12.983 44.458 0.00 0.00 +ATOM 24684 H2 WAT X7532 16.272 12.751 45.926 0.00 0.00 +ATOM 24685 O WAT X7533 31.352 56.344 52.318 0.00 0.00 +ATOM 24686 H1 WAT X7533 31.587 57.270 52.384 0.00 0.00 +ATOM 24687 H2 WAT X7533 32.189 55.882 52.344 0.00 0.00 +ATOM 24688 O WAT X7534 1.025 13.196 50.874 0.00 0.00 +ATOM 24689 H1 WAT X7534 0.963 12.338 50.453 0.00 0.00 +ATOM 24690 H2 WAT X7534 1.922 13.237 51.203 0.00 0.00 +ATOM 24691 O WAT X7535 26.860 56.841 42.730 0.00 0.00 +ATOM 24692 H1 WAT X7535 26.387 56.046 42.976 0.00 0.00 +ATOM 24693 H2 WAT X7535 27.783 56.586 42.752 0.00 0.00 +ATOM 24694 O WAT X7536 74.356 46.082 34.153 0.00 0.00 +ATOM 24695 H1 WAT X7536 73.425 46.303 34.129 0.00 0.00 +ATOM 24696 H2 WAT X7536 74.788 46.817 33.717 0.00 0.00 +ATOM 24697 O WAT X7537 76.063 47.877 27.055 0.00 0.00 +ATOM 24698 H1 WAT X7537 75.879 48.297 27.895 0.00 0.00 +ATOM 24699 H2 WAT X7537 75.845 48.543 26.402 0.00 0.00 +ATOM 24700 O WAT X7538 11.399 49.229 35.126 0.00 0.00 +ATOM 24701 H1 WAT X7538 10.691 49.721 34.711 0.00 0.00 +ATOM 24702 H2 WAT X7538 11.884 48.845 34.396 0.00 0.00 +ATOM 24703 O WAT X7539 31.242 22.166 16.241 0.00 0.00 +ATOM 24704 H1 WAT X7539 31.475 21.592 16.970 0.00 0.00 +ATOM 24705 H2 WAT X7539 31.266 21.598 15.471 0.00 0.00 +ATOM 24706 O WAT X7540 74.590 34.372 36.666 0.00 0.00 +ATOM 24707 H1 WAT X7540 73.707 34.735 36.744 0.00 0.00 +ATOM 24708 H2 WAT X7540 74.601 33.953 35.805 0.00 0.00 +ATOM 24709 O WAT X7541 47.004 33.221 52.342 0.00 0.00 +ATOM 24710 H1 WAT X7541 47.673 33.229 53.026 0.00 0.00 +ATOM 24711 H2 WAT X7541 46.231 33.601 52.760 0.00 0.00 +ATOM 24712 O WAT X7542 5.880 0.351 7.435 0.00 0.00 +ATOM 24713 H1 WAT X7542 6.131 -0.568 7.526 0.00 0.00 +ATOM 24714 H2 WAT X7542 4.929 0.352 7.550 0.00 0.00 +ATOM 24715 O WAT X7543 71.468 10.458 24.486 0.00 0.00 +ATOM 24716 H1 WAT X7543 70.798 9.776 24.527 0.00 0.00 +ATOM 24717 H2 WAT X7543 72.085 10.230 25.181 0.00 0.00 +ATOM 24718 O WAT X7544 9.886 31.048 13.643 0.00 0.00 +ATOM 24719 H1 WAT X7544 9.119 31.550 13.918 0.00 0.00 +ATOM 24720 H2 WAT X7544 9.618 30.630 12.825 0.00 0.00 +ATOM 24721 O WAT X7545 52.530 46.975 57.465 0.00 0.00 +ATOM 24722 H1 WAT X7545 52.263 46.554 58.282 0.00 0.00 +ATOM 24723 H2 WAT X7545 52.903 46.267 56.940 0.00 0.00 +ATOM 24724 O WAT X7546 35.909 7.548 40.043 0.00 0.00 +ATOM 24725 H1 WAT X7546 34.978 7.744 40.149 0.00 0.00 +ATOM 24726 H2 WAT X7546 36.150 7.088 40.847 0.00 0.00 +ATOM 24727 O WAT X7547 13.357 33.707 9.716 0.00 0.00 +ATOM 24728 H1 WAT X7547 13.405 33.139 8.947 0.00 0.00 +ATOM 24729 H2 WAT X7547 12.464 34.050 9.706 0.00 0.00 +ATOM 24730 O WAT X7548 29.849 16.419 18.728 0.00 0.00 +ATOM 24731 H1 WAT X7548 29.607 15.701 19.313 0.00 0.00 +ATOM 24732 H2 WAT X7548 30.765 16.250 18.507 0.00 0.00 +ATOM 24733 O WAT X7549 8.505 61.498 44.651 0.00 0.00 +ATOM 24734 H1 WAT X7549 7.915 62.195 44.363 0.00 0.00 +ATOM 24735 H2 WAT X7549 9.362 61.752 44.308 0.00 0.00 +ATOM 24736 O WAT X7550 72.168 7.445 17.586 0.00 0.00 +ATOM 24737 H1 WAT X7550 72.606 7.251 16.757 0.00 0.00 +ATOM 24738 H2 WAT X7550 72.393 8.357 17.767 0.00 0.00 +ATOM 24739 O WAT X7551 19.012 56.736 16.713 0.00 0.00 +ATOM 24740 H1 WAT X7551 18.680 56.374 17.534 0.00 0.00 +ATOM 24741 H2 WAT X7551 19.792 57.229 16.966 0.00 0.00 +ATOM 24742 O WAT X7552 18.457 5.639 36.906 0.00 0.00 +ATOM 24743 H1 WAT X7552 18.213 4.928 36.312 0.00 0.00 +ATOM 24744 H2 WAT X7552 18.552 5.216 37.759 0.00 0.00 +ATOM 24745 O WAT X7553 24.152 48.134 52.234 0.00 0.00 +ATOM 24746 H1 WAT X7553 23.572 47.774 52.905 0.00 0.00 +ATOM 24747 H2 WAT X7553 24.806 48.632 52.725 0.00 0.00 +ATOM 24748 O WAT X7554 45.800 50.344 36.365 0.00 0.00 +ATOM 24749 H1 WAT X7554 45.624 50.495 35.436 0.00 0.00 +ATOM 24750 H2 WAT X7554 45.008 50.647 36.810 0.00 0.00 +ATOM 24751 O WAT X7555 27.125 6.579 11.790 0.00 0.00 +ATOM 24752 H1 WAT X7555 27.566 7.076 11.100 0.00 0.00 +ATOM 24753 H2 WAT X7555 27.836 6.260 12.346 0.00 0.00 +ATOM 24754 O WAT X7556 16.542 33.922 0.394 0.00 0.00 +ATOM 24755 H1 WAT X7556 17.363 34.404 0.301 0.00 0.00 +ATOM 24756 H2 WAT X7556 16.034 34.161 -0.382 0.00 0.00 +ATOM 24757 O WAT X7557 5.778 30.827 6.272 0.00 0.00 +ATOM 24758 H1 WAT X7557 5.028 30.233 6.299 0.00 0.00 +ATOM 24759 H2 WAT X7557 6.444 30.349 5.779 0.00 0.00 +ATOM 24760 O WAT X7558 20.676 18.417 47.495 0.00 0.00 +ATOM 24761 H1 WAT X7558 20.189 17.959 48.180 0.00 0.00 +ATOM 24762 H2 WAT X7558 21.596 18.255 47.706 0.00 0.00 +ATOM 24763 O WAT X7559 30.042 55.411 8.715 0.00 0.00 +ATOM 24764 H1 WAT X7559 30.893 55.182 8.340 0.00 0.00 +ATOM 24765 H2 WAT X7559 30.114 55.167 9.638 0.00 0.00 +ATOM 24766 O WAT X7560 14.141 54.650 12.732 0.00 0.00 +ATOM 24767 H1 WAT X7560 13.792 55.136 11.985 0.00 0.00 +ATOM 24768 H2 WAT X7560 13.440 54.678 13.384 0.00 0.00 +ATOM 24769 O WAT X7561 55.800 2.461 6.999 0.00 0.00 +ATOM 24770 H1 WAT X7561 56.370 2.366 6.235 0.00 0.00 +ATOM 24771 H2 WAT X7561 55.388 3.317 6.886 0.00 0.00 +ATOM 24772 O WAT X7562 58.550 59.689 11.111 0.00 0.00 +ATOM 24773 H1 WAT X7562 57.844 59.689 10.464 0.00 0.00 +ATOM 24774 H2 WAT X7562 58.850 60.598 11.138 0.00 0.00 +ATOM 24775 O WAT X7563 43.896 21.196 57.727 0.00 0.00 +ATOM 24776 H1 WAT X7563 43.148 20.605 57.646 0.00 0.00 +ATOM 24777 H2 WAT X7563 44.429 21.015 56.953 0.00 0.00 +ATOM 24778 O WAT X7564 6.466 18.394 17.425 0.00 0.00 +ATOM 24779 H1 WAT X7564 6.208 19.315 17.451 0.00 0.00 +ATOM 24780 H2 WAT X7564 6.984 18.268 18.220 0.00 0.00 +ATOM 24781 O WAT X7565 65.139 34.428 24.245 0.00 0.00 +ATOM 24782 H1 WAT X7565 65.034 35.336 24.528 0.00 0.00 +ATOM 24783 H2 WAT X7565 66.044 34.377 23.936 0.00 0.00 +ATOM 24784 O WAT X7566 19.349 50.921 46.264 0.00 0.00 +ATOM 24785 H1 WAT X7566 19.585 51.795 46.575 0.00 0.00 +ATOM 24786 H2 WAT X7566 18.982 50.484 47.033 0.00 0.00 +ATOM 24787 O WAT X7567 64.147 2.054 40.571 0.00 0.00 +ATOM 24788 H1 WAT X7567 64.646 1.237 40.547 0.00 0.00 +ATOM 24789 H2 WAT X7567 63.998 2.215 41.503 0.00 0.00 +ATOM 24790 O WAT X7568 32.156 31.046 47.166 0.00 0.00 +ATOM 24791 H1 WAT X7568 31.778 30.287 46.722 0.00 0.00 +ATOM 24792 H2 WAT X7568 31.657 31.121 47.980 0.00 0.00 +ATOM 24793 O WAT X7569 71.235 1.580 14.386 0.00 0.00 +ATOM 24794 H1 WAT X7569 71.250 1.990 15.251 0.00 0.00 +ATOM 24795 H2 WAT X7569 70.305 1.445 14.202 0.00 0.00 +ATOM 24796 O WAT X7570 28.546 52.585 14.068 0.00 0.00 +ATOM 24797 H1 WAT X7570 28.851 52.801 14.950 0.00 0.00 +ATOM 24798 H2 WAT X7570 28.323 51.656 14.113 0.00 0.00 +ATOM 24799 O WAT X7571 21.393 52.170 18.218 0.00 0.00 +ATOM 24800 H1 WAT X7571 20.976 51.472 17.713 0.00 0.00 +ATOM 24801 H2 WAT X7571 22.183 51.766 18.577 0.00 0.00 +ATOM 24802 O WAT X7572 18.765 53.690 32.980 0.00 0.00 +ATOM 24803 H1 WAT X7572 18.750 52.977 33.619 0.00 0.00 +ATOM 24804 H2 WAT X7572 18.470 54.457 33.469 0.00 0.00 +ATOM 24805 O WAT X7573 25.223 29.629 48.260 0.00 0.00 +ATOM 24806 H1 WAT X7573 25.044 29.270 49.129 0.00 0.00 +ATOM 24807 H2 WAT X7573 24.357 29.784 47.883 0.00 0.00 +ATOM 24808 O WAT X7574 46.981 17.483 42.579 0.00 0.00 +ATOM 24809 H1 WAT X7574 47.885 17.305 42.319 0.00 0.00 +ATOM 24810 H2 WAT X7574 46.504 16.686 42.347 0.00 0.00 +ATOM 24811 O WAT X7575 60.615 14.495 37.995 0.00 0.00 +ATOM 24812 H1 WAT X7575 59.917 13.908 37.703 0.00 0.00 +ATOM 24813 H2 WAT X7575 60.770 14.248 38.906 0.00 0.00 +ATOM 24814 O WAT X7576 31.428 4.349 8.497 0.00 0.00 +ATOM 24815 H1 WAT X7576 31.411 5.263 8.782 0.00 0.00 +ATOM 24816 H2 WAT X7576 32.334 4.073 8.632 0.00 0.00 +ATOM 24817 O WAT X7577 56.922 58.548 37.270 0.00 0.00 +ATOM 24818 H1 WAT X7577 56.515 57.812 37.726 0.00 0.00 +ATOM 24819 H2 WAT X7577 56.947 59.249 37.921 0.00 0.00 +ATOM 24820 O WAT X7578 41.181 57.043 10.299 0.00 0.00 +ATOM 24821 H1 WAT X7578 42.034 56.718 10.588 0.00 0.00 +ATOM 24822 H2 WAT X7578 40.948 57.711 10.944 0.00 0.00 +ATOM 24823 O WAT X7579 7.332 15.026 16.481 0.00 0.00 +ATOM 24824 H1 WAT X7579 7.356 14.380 15.774 0.00 0.00 +ATOM 24825 H2 WAT X7579 6.913 14.568 17.209 0.00 0.00 +ATOM 24826 O WAT X7580 50.538 40.464 1.450 0.00 0.00 +ATOM 24827 H1 WAT X7580 50.682 40.179 0.547 0.00 0.00 +ATOM 24828 H2 WAT X7580 51.403 40.731 1.758 0.00 0.00 +ATOM 24829 O WAT X7581 75.602 50.869 32.513 0.00 0.00 +ATOM 24830 H1 WAT X7581 74.871 51.202 31.992 0.00 0.00 +ATOM 24831 H2 WAT X7581 76.381 51.222 32.085 0.00 0.00 +ATOM 24832 O WAT X7582 14.159 0.927 44.428 0.00 0.00 +ATOM 24833 H1 WAT X7582 14.740 0.559 45.093 0.00 0.00 +ATOM 24834 H2 WAT X7582 14.030 0.214 43.802 0.00 0.00 +ATOM 24835 O WAT X7583 29.251 63.130 39.291 0.00 0.00 +ATOM 24836 H1 WAT X7583 29.499 63.416 38.411 0.00 0.00 +ATOM 24837 H2 WAT X7583 29.323 62.176 39.263 0.00 0.00 +ATOM 24838 O WAT X7584 4.462 4.118 53.072 0.00 0.00 +ATOM 24839 H1 WAT X7584 4.341 3.214 52.781 0.00 0.00 +ATOM 24840 H2 WAT X7584 4.956 4.533 52.366 0.00 0.00 +ATOM 24841 O WAT X7585 18.480 16.183 20.366 0.00 0.00 +ATOM 24842 H1 WAT X7585 18.635 17.105 20.158 0.00 0.00 +ATOM 24843 H2 WAT X7585 17.827 15.900 19.727 0.00 0.00 +ATOM 24844 O WAT X7586 48.990 52.152 20.177 0.00 0.00 +ATOM 24845 H1 WAT X7586 48.577 52.755 20.796 0.00 0.00 +ATOM 24846 H2 WAT X7586 49.741 51.798 20.653 0.00 0.00 +ATOM 24847 O WAT X7587 35.248 48.897 26.021 0.00 0.00 +ATOM 24848 H1 WAT X7587 35.840 49.049 25.285 0.00 0.00 +ATOM 24849 H2 WAT X7587 34.817 48.067 25.814 0.00 0.00 +ATOM 24850 O WAT X7588 41.952 61.205 27.135 0.00 0.00 +ATOM 24851 H1 WAT X7588 41.793 62.059 27.538 0.00 0.00 +ATOM 24852 H2 WAT X7588 41.177 60.688 27.354 0.00 0.00 +ATOM 24853 O WAT X7589 14.785 13.081 28.253 0.00 0.00 +ATOM 24854 H1 WAT X7589 15.501 13.137 28.887 0.00 0.00 +ATOM 24855 H2 WAT X7589 15.115 12.496 27.571 0.00 0.00 +ATOM 24856 O WAT X7590 5.879 11.018 17.725 0.00 0.00 +ATOM 24857 H1 WAT X7590 6.630 10.881 17.147 0.00 0.00 +ATOM 24858 H2 WAT X7590 5.318 10.258 17.572 0.00 0.00 +ATOM 24859 O WAT X7591 11.132 29.023 20.303 0.00 0.00 +ATOM 24860 H1 WAT X7591 10.347 29.570 20.336 0.00 0.00 +ATOM 24861 H2 WAT X7591 11.335 28.840 21.220 0.00 0.00 +ATOM 24862 O WAT X7592 71.737 33.696 11.123 0.00 0.00 +ATOM 24863 H1 WAT X7592 70.817 33.460 11.000 0.00 0.00 +ATOM 24864 H2 WAT X7592 72.112 32.954 11.597 0.00 0.00 +ATOM 24865 O WAT X7593 20.041 0.934 24.002 0.00 0.00 +ATOM 24866 H1 WAT X7593 20.073 1.889 23.952 0.00 0.00 +ATOM 24867 H2 WAT X7593 20.440 0.638 23.184 0.00 0.00 +ATOM 24868 O WAT X7594 45.996 15.253 31.108 0.00 0.00 +ATOM 24869 H1 WAT X7594 46.906 15.122 30.842 0.00 0.00 +ATOM 24870 H2 WAT X7594 45.952 16.174 31.365 0.00 0.00 +ATOM 24871 O WAT X7595 75.019 53.604 14.850 0.00 0.00 +ATOM 24872 H1 WAT X7595 75.822 53.104 14.706 0.00 0.00 +ATOM 24873 H2 WAT X7595 75.130 53.989 15.719 0.00 0.00 +ATOM 24874 O WAT X7596 64.718 59.052 24.889 0.00 0.00 +ATOM 24875 H1 WAT X7596 63.943 58.767 24.405 0.00 0.00 +ATOM 24876 H2 WAT X7596 64.397 59.744 25.467 0.00 0.00 +ATOM 24877 O WAT X7597 37.892 55.101 29.138 0.00 0.00 +ATOM 24878 H1 WAT X7597 37.005 55.430 28.990 0.00 0.00 +ATOM 24879 H2 WAT X7597 38.099 55.364 30.034 0.00 0.00 +ATOM 24880 O WAT X7598 55.006 12.336 13.025 0.00 0.00 +ATOM 24881 H1 WAT X7598 54.674 11.712 13.671 0.00 0.00 +ATOM 24882 H2 WAT X7598 54.370 13.052 13.034 0.00 0.00 +ATOM 24883 O WAT X7599 10.507 55.777 47.104 0.00 0.00 +ATOM 24884 H1 WAT X7599 11.057 55.289 47.717 0.00 0.00 +ATOM 24885 H2 WAT X7599 10.286 55.142 46.423 0.00 0.00 +ATOM 24886 O WAT X7600 72.326 56.649 13.508 0.00 0.00 +ATOM 24887 H1 WAT X7600 71.687 55.939 13.458 0.00 0.00 +ATOM 24888 H2 WAT X7600 72.968 56.443 12.829 0.00 0.00 +ATOM 24889 O WAT X7601 28.505 45.782 41.111 0.00 0.00 +ATOM 24890 H1 WAT X7601 28.948 46.211 41.842 0.00 0.00 +ATOM 24891 H2 WAT X7601 27.578 45.794 41.352 0.00 0.00 +ATOM 24892 O WAT X7602 26.201 27.702 14.461 0.00 0.00 +ATOM 24893 H1 WAT X7602 26.018 28.505 14.949 0.00 0.00 +ATOM 24894 H2 WAT X7602 25.557 27.699 13.753 0.00 0.00 +ATOM 24895 O WAT X7603 66.180 60.010 40.898 0.00 0.00 +ATOM 24896 H1 WAT X7603 65.668 59.246 41.165 0.00 0.00 +ATOM 24897 H2 WAT X7603 67.082 59.786 41.129 0.00 0.00 +ATOM 24898 O WAT X7604 6.556 22.430 53.286 0.00 0.00 +ATOM 24899 H1 WAT X7604 6.494 21.612 53.781 0.00 0.00 +ATOM 24900 H2 WAT X7604 5.652 22.737 53.216 0.00 0.00 +ATOM 24901 O WAT X7605 69.315 6.676 46.875 0.00 0.00 +ATOM 24902 H1 WAT X7605 69.563 7.275 47.580 0.00 0.00 +ATOM 24903 H2 WAT X7605 68.460 6.991 46.583 0.00 0.00 +ATOM 24904 O WAT X7606 18.599 37.474 53.515 0.00 0.00 +ATOM 24905 H1 WAT X7606 19.535 37.620 53.380 0.00 0.00 +ATOM 24906 H2 WAT X7606 18.180 38.254 53.151 0.00 0.00 +ATOM 24907 O WAT X7607 10.908 34.648 54.264 0.00 0.00 +ATOM 24908 H1 WAT X7607 10.588 35.114 55.036 0.00 0.00 +ATOM 24909 H2 WAT X7607 11.357 35.318 53.749 0.00 0.00 +ATOM 24910 O WAT X7608 48.479 4.614 21.279 0.00 0.00 +ATOM 24911 H1 WAT X7608 49.171 4.757 21.926 0.00 0.00 +ATOM 24912 H2 WAT X7608 48.914 4.726 20.434 0.00 0.00 +ATOM 24913 O WAT X7609 13.602 4.976 14.568 0.00 0.00 +ATOM 24914 H1 WAT X7609 13.921 5.184 13.690 0.00 0.00 +ATOM 24915 H2 WAT X7609 13.691 4.026 14.636 0.00 0.00 +ATOM 24916 O WAT X7610 36.543 56.018 1.300 0.00 0.00 +ATOM 24917 H1 WAT X7610 36.623 56.663 2.002 0.00 0.00 +ATOM 24918 H2 WAT X7610 35.616 55.776 1.302 0.00 0.00 +ATOM 24919 O WAT X7611 59.538 36.986 9.302 0.00 0.00 +ATOM 24920 H1 WAT X7611 59.749 37.171 10.217 0.00 0.00 +ATOM 24921 H2 WAT X7611 59.660 37.823 8.853 0.00 0.00 +ATOM 24922 O WAT X7612 10.855 57.558 32.485 0.00 0.00 +ATOM 24923 H1 WAT X7612 10.508 56.974 33.159 0.00 0.00 +ATOM 24924 H2 WAT X7612 10.268 58.315 32.498 0.00 0.00 +ATOM 24925 O WAT X7613 39.445 19.965 8.871 0.00 0.00 +ATOM 24926 H1 WAT X7613 38.754 19.329 8.686 0.00 0.00 +ATOM 24927 H2 WAT X7613 39.042 20.586 9.478 0.00 0.00 +ATOM 24928 O WAT X7614 7.118 29.888 3.849 0.00 0.00 +ATOM 24929 H1 WAT X7614 6.822 30.659 3.365 0.00 0.00 +ATOM 24930 H2 WAT X7614 6.458 29.220 3.662 0.00 0.00 +ATOM 24931 O WAT X7615 16.005 9.986 9.480 0.00 0.00 +ATOM 24932 H1 WAT X7615 16.758 9.420 9.309 0.00 0.00 +ATOM 24933 H2 WAT X7615 16.192 10.787 8.990 0.00 0.00 +ATOM 24934 O WAT X7616 69.411 62.674 45.001 0.00 0.00 +ATOM 24935 H1 WAT X7616 69.779 63.286 44.364 0.00 0.00 +ATOM 24936 H2 WAT X7616 68.623 63.110 45.324 0.00 0.00 +ATOM 24937 O WAT X7617 5.479 7.863 14.559 0.00 0.00 +ATOM 24938 H1 WAT X7617 6.013 7.232 15.041 0.00 0.00 +ATOM 24939 H2 WAT X7617 6.112 8.385 14.066 0.00 0.00 +ATOM 24940 O WAT X7618 70.766 4.408 46.592 0.00 0.00 +ATOM 24941 H1 WAT X7618 70.058 4.027 47.112 0.00 0.00 +ATOM 24942 H2 WAT X7618 70.537 5.334 46.519 0.00 0.00 +ATOM 24943 O WAT X7619 64.221 62.408 40.433 0.00 0.00 +ATOM 24944 H1 WAT X7619 63.615 62.279 41.162 0.00 0.00 +ATOM 24945 H2 WAT X7619 65.048 62.036 40.741 0.00 0.00 +ATOM 24946 O WAT X7620 19.003 24.682 56.240 0.00 0.00 +ATOM 24947 H1 WAT X7620 19.162 25.125 57.074 0.00 0.00 +ATOM 24948 H2 WAT X7620 19.847 24.292 56.013 0.00 0.00 +ATOM 24949 O WAT X7621 67.448 13.003 18.774 0.00 0.00 +ATOM 24950 H1 WAT X7621 67.164 12.383 18.103 0.00 0.00 +ATOM 24951 H2 WAT X7621 66.853 13.747 18.681 0.00 0.00 +ATOM 24952 O WAT X7622 28.349 0.720 52.879 0.00 0.00 +ATOM 24953 H1 WAT X7622 28.290 1.666 53.014 0.00 0.00 +ATOM 24954 H2 WAT X7622 28.651 0.377 53.720 0.00 0.00 +ATOM 24955 O WAT X7623 38.773 41.828 12.143 0.00 0.00 +ATOM 24956 H1 WAT X7623 38.689 42.740 11.867 0.00 0.00 +ATOM 24957 H2 WAT X7623 39.151 41.381 11.386 0.00 0.00 +ATOM 24958 O WAT X7624 61.857 54.610 48.121 0.00 0.00 +ATOM 24959 H1 WAT X7624 61.391 54.023 48.717 0.00 0.00 +ATOM 24960 H2 WAT X7624 61.178 54.948 47.538 0.00 0.00 +ATOM 24961 O WAT X7625 0.881 20.452 12.947 0.00 0.00 +ATOM 24962 H1 WAT X7625 0.085 20.972 12.839 0.00 0.00 +ATOM 24963 H2 WAT X7625 1.591 21.094 12.932 0.00 0.00 +ATOM 24964 O WAT X7626 8.970 27.558 6.721 0.00 0.00 +ATOM 24965 H1 WAT X7626 9.533 27.378 5.968 0.00 0.00 +ATOM 24966 H2 WAT X7626 8.885 26.713 7.164 0.00 0.00 +ATOM 24967 O WAT X7627 53.402 31.615 20.676 0.00 0.00 +ATOM 24968 H1 WAT X7627 53.587 31.900 21.572 0.00 0.00 +ATOM 24969 H2 WAT X7627 52.473 31.386 20.684 0.00 0.00 +ATOM 24970 O WAT X7628 43.514 57.955 28.911 0.00 0.00 +ATOM 24971 H1 WAT X7628 44.135 58.037 28.187 0.00 0.00 +ATOM 24972 H2 WAT X7628 42.659 57.882 28.485 0.00 0.00 +ATOM 24973 O WAT X7629 71.820 25.363 10.536 0.00 0.00 +ATOM 24974 H1 WAT X7629 72.606 24.958 10.901 0.00 0.00 +ATOM 24975 H2 WAT X7629 71.692 26.154 11.059 0.00 0.00 +ATOM 24976 O WAT X7630 11.341 13.630 23.638 0.00 0.00 +ATOM 24977 H1 WAT X7630 12.196 13.299 23.911 0.00 0.00 +ATOM 24978 H2 WAT X7630 11.412 14.580 23.732 0.00 0.00 +ATOM 24979 O WAT X7631 64.445 5.981 -0.032 0.00 0.00 +ATOM 24980 H1 WAT X7631 63.832 6.114 0.691 0.00 0.00 +ATOM 24981 H2 WAT X7631 65.137 5.433 0.338 0.00 0.00 +ATOM 24982 O WAT X7632 2.997 4.005 22.915 0.00 0.00 +ATOM 24983 H1 WAT X7632 2.292 3.603 23.422 0.00 0.00 +ATOM 24984 H2 WAT X7632 3.762 3.457 23.091 0.00 0.00 +ATOM 24985 O WAT X7633 12.316 43.715 8.364 0.00 0.00 +ATOM 24986 H1 WAT X7633 12.889 44.013 7.658 0.00 0.00 +ATOM 24987 H2 WAT X7633 11.525 43.412 7.918 0.00 0.00 +ATOM 24988 O WAT X7634 67.757 10.836 20.439 0.00 0.00 +ATOM 24989 H1 WAT X7634 67.934 10.831 21.380 0.00 0.00 +ATOM 24990 H2 WAT X7634 67.506 11.740 20.247 0.00 0.00 +ATOM 24991 O WAT X7635 61.823 10.874 22.778 0.00 0.00 +ATOM 24992 H1 WAT X7635 61.654 11.762 22.463 0.00 0.00 +ATOM 24993 H2 WAT X7635 61.181 10.741 23.475 0.00 0.00 +ATOM 24994 O WAT X7636 68.515 20.165 48.410 0.00 0.00 +ATOM 24995 H1 WAT X7636 69.456 19.993 48.384 0.00 0.00 +ATOM 24996 H2 WAT X7636 68.411 21.000 47.954 0.00 0.00 +ATOM 24997 O WAT X7637 74.480 45.747 5.497 0.00 0.00 +ATOM 24998 H1 WAT X7637 75.190 45.139 5.703 0.00 0.00 +ATOM 24999 H2 WAT X7637 74.195 45.494 4.619 0.00 0.00 +ATOM 25000 O WAT X7638 57.897 37.992 50.956 0.00 0.00 +ATOM 25001 H1 WAT X7638 57.957 37.036 50.968 0.00 0.00 +ATOM 25002 H2 WAT X7638 58.600 38.269 50.368 0.00 0.00 +ATOM 25003 O WAT X7639 73.351 0.084 32.909 0.00 0.00 +ATOM 25004 H1 WAT X7639 73.177 0.217 31.977 0.00 0.00 +ATOM 25005 H2 WAT X7639 72.540 -0.290 33.253 0.00 0.00 +ATOM 25006 O WAT X7640 1.329 51.598 16.930 0.00 0.00 +ATOM 25007 H1 WAT X7640 2.173 51.648 16.481 0.00 0.00 +ATOM 25008 H2 WAT X7640 0.793 51.036 16.370 0.00 0.00 +ATOM 25009 O WAT X7641 65.258 11.436 29.568 0.00 0.00 +ATOM 25010 H1 WAT X7641 65.771 12.155 29.936 0.00 0.00 +ATOM 25011 H2 WAT X7641 65.888 10.723 29.459 0.00 0.00 +ATOM 25012 O WAT X7642 66.417 54.631 42.002 0.00 0.00 +ATOM 25013 H1 WAT X7642 66.112 55.284 41.371 0.00 0.00 +ATOM 25014 H2 WAT X7642 66.261 53.791 41.571 0.00 0.00 +ATOM 25015 O WAT X7643 49.233 12.067 54.233 0.00 0.00 +ATOM 25016 H1 WAT X7643 48.290 11.952 54.351 0.00 0.00 +ATOM 25017 H2 WAT X7643 49.618 11.750 55.050 0.00 0.00 +ATOM 25018 O WAT X7644 71.207 42.848 53.969 0.00 0.00 +ATOM 25019 H1 WAT X7644 70.518 42.243 54.245 0.00 0.00 +ATOM 25020 H2 WAT X7644 70.770 43.451 53.368 0.00 0.00 +ATOM 25021 O WAT X7645 41.152 62.098 7.444 0.00 0.00 +ATOM 25022 H1 WAT X7645 41.256 62.803 8.083 0.00 0.00 +ATOM 25023 H2 WAT X7645 40.766 61.378 7.943 0.00 0.00 +ATOM 25024 O WAT X7646 69.857 24.489 8.877 0.00 0.00 +ATOM 25025 H1 WAT X7646 70.450 24.916 9.495 0.00 0.00 +ATOM 25026 H2 WAT X7646 69.133 24.175 9.418 0.00 0.00 +ATOM 25027 O WAT X7647 53.511 38.094 46.978 0.00 0.00 +ATOM 25028 H1 WAT X7647 52.859 38.789 46.886 0.00 0.00 +ATOM 25029 H2 WAT X7647 53.823 38.176 47.879 0.00 0.00 +ATOM 25030 O WAT X7648 69.075 35.795 45.314 0.00 0.00 +ATOM 25031 H1 WAT X7648 68.627 35.730 44.471 0.00 0.00 +ATOM 25032 H2 WAT X7648 69.106 36.734 45.497 0.00 0.00 +ATOM 25033 O WAT X7649 9.088 6.543 46.065 0.00 0.00 +ATOM 25034 H1 WAT X7649 8.714 5.712 46.357 0.00 0.00 +ATOM 25035 H2 WAT X7649 8.834 7.171 46.742 0.00 0.00 +ATOM 25036 O WAT X7650 3.973 28.358 35.382 0.00 0.00 +ATOM 25037 H1 WAT X7650 4.589 29.066 35.194 0.00 0.00 +ATOM 25038 H2 WAT X7650 3.154 28.639 34.975 0.00 0.00 +ATOM 25039 O WAT X7651 69.653 45.226 33.227 0.00 0.00 +ATOM 25040 H1 WAT X7651 70.433 45.735 33.445 0.00 0.00 +ATOM 25041 H2 WAT X7651 69.770 44.989 32.307 0.00 0.00 +ATOM 25042 O WAT X7652 61.580 29.392 7.744 0.00 0.00 +ATOM 25043 H1 WAT X7652 61.575 28.742 8.447 0.00 0.00 +ATOM 25044 H2 WAT X7652 62.168 29.025 7.083 0.00 0.00 +ATOM 25045 O WAT X7653 67.183 32.281 16.360 0.00 0.00 +ATOM 25046 H1 WAT X7653 67.195 31.328 16.448 0.00 0.00 +ATOM 25047 H2 WAT X7653 66.260 32.498 16.229 0.00 0.00 +ATOM 25048 O WAT X7654 43.059 50.481 7.916 0.00 0.00 +ATOM 25049 H1 WAT X7654 42.494 50.500 8.688 0.00 0.00 +ATOM 25050 H2 WAT X7654 42.472 50.672 7.184 0.00 0.00 +ATOM 25051 O WAT X7655 33.434 3.230 18.773 0.00 0.00 +ATOM 25052 H1 WAT X7655 33.489 2.968 19.692 0.00 0.00 +ATOM 25053 H2 WAT X7655 32.663 3.797 18.732 0.00 0.00 +ATOM 25054 O WAT X7656 22.287 25.730 58.387 0.00 0.00 +ATOM 25055 H1 WAT X7656 23.127 25.754 58.844 0.00 0.00 +ATOM 25056 H2 WAT X7656 22.469 26.113 57.529 0.00 0.00 +ATOM 25057 O WAT X7657 77.365 9.005 6.814 0.00 0.00 +ATOM 25058 H1 WAT X7657 77.832 9.193 6.001 0.00 0.00 +ATOM 25059 H2 WAT X7657 77.299 8.051 6.839 0.00 0.00 +ATOM 25060 O WAT X7658 18.739 61.902 0.378 0.00 0.00 +ATOM 25061 H1 WAT X7658 18.851 62.550 1.073 0.00 0.00 +ATOM 25062 H2 WAT X7658 18.679 61.065 0.838 0.00 0.00 +ATOM 25063 O WAT X7659 25.357 0.333 19.146 0.00 0.00 +ATOM 25064 H1 WAT X7659 25.064 -0.247 19.848 0.00 0.00 +ATOM 25065 H2 WAT X7659 25.078 1.206 19.424 0.00 0.00 +ATOM 25066 O WAT X7660 2.485 6.427 33.695 0.00 0.00 +ATOM 25067 H1 WAT X7660 1.634 5.991 33.738 0.00 0.00 +ATOM 25068 H2 WAT X7660 2.970 6.078 34.443 0.00 0.00 +ATOM 25069 O WAT X7661 49.732 56.446 54.787 0.00 0.00 +ATOM 25070 H1 WAT X7661 49.480 56.527 53.867 0.00 0.00 +ATOM 25071 H2 WAT X7661 49.184 55.738 55.124 0.00 0.00 +ATOM 25072 O WAT X7662 15.665 44.217 26.305 0.00 0.00 +ATOM 25073 H1 WAT X7662 15.126 44.365 27.082 0.00 0.00 +ATOM 25074 H2 WAT X7662 15.038 43.999 25.616 0.00 0.00 +ATOM 25075 O WAT X7663 51.177 59.592 9.815 0.00 0.00 +ATOM 25076 H1 WAT X7663 51.525 60.308 10.346 0.00 0.00 +ATOM 25077 H2 WAT X7663 50.233 59.746 9.794 0.00 0.00 +ATOM 25078 O WAT X7664 20.633 20.701 13.048 0.00 0.00 +ATOM 25079 H1 WAT X7664 20.757 20.545 12.112 0.00 0.00 +ATOM 25080 H2 WAT X7664 20.191 21.548 13.094 0.00 0.00 +ATOM 25081 O WAT X7665 0.415 14.096 24.668 0.00 0.00 +ATOM 25082 H1 WAT X7665 0.871 14.925 24.816 0.00 0.00 +ATOM 25083 H2 WAT X7665 0.724 13.524 25.370 0.00 0.00 +ATOM 25084 O WAT X7666 57.359 14.463 4.618 0.00 0.00 +ATOM 25085 H1 WAT X7666 56.794 14.144 5.321 0.00 0.00 +ATOM 25086 H2 WAT X7666 57.218 15.410 4.608 0.00 0.00 +ATOM 25087 O WAT X7667 25.449 17.934 46.986 0.00 0.00 +ATOM 25088 H1 WAT X7667 25.608 18.777 47.411 0.00 0.00 +ATOM 25089 H2 WAT X7667 25.639 18.093 46.061 0.00 0.00 +ATOM 25090 O WAT X7668 30.138 15.638 27.419 0.00 0.00 +ATOM 25091 H1 WAT X7668 29.886 14.757 27.141 0.00 0.00 +ATOM 25092 H2 WAT X7668 30.637 15.502 28.224 0.00 0.00 +ATOM 25093 O WAT X7669 31.924 50.684 50.210 0.00 0.00 +ATOM 25094 H1 WAT X7669 31.366 50.262 49.557 0.00 0.00 +ATOM 25095 H2 WAT X7669 32.775 50.256 50.111 0.00 0.00 +ATOM 25096 O WAT X7670 16.943 60.559 12.843 0.00 0.00 +ATOM 25097 H1 WAT X7670 16.254 61.132 13.177 0.00 0.00 +ATOM 25098 H2 WAT X7670 16.482 59.768 12.562 0.00 0.00 +ATOM 25099 O WAT X7671 44.909 59.321 0.765 0.00 0.00 +ATOM 25100 H1 WAT X7671 44.167 59.362 1.368 0.00 0.00 +ATOM 25101 H2 WAT X7671 45.670 59.530 1.307 0.00 0.00 +ATOM 25102 O WAT X7672 69.883 12.782 16.111 0.00 0.00 +ATOM 25103 H1 WAT X7672 69.398 12.665 16.928 0.00 0.00 +ATOM 25104 H2 WAT X7672 69.212 12.994 15.462 0.00 0.00 +ATOM 25105 O WAT X7673 21.332 15.327 36.761 0.00 0.00 +ATOM 25106 H1 WAT X7673 21.836 15.173 37.559 0.00 0.00 +ATOM 25107 H2 WAT X7673 20.758 16.062 36.978 0.00 0.00 +ATOM 25108 O WAT X7674 11.691 25.565 8.824 0.00 0.00 +ATOM 25109 H1 WAT X7674 11.454 24.671 8.577 0.00 0.00 +ATOM 25110 H2 WAT X7674 11.143 25.757 9.586 0.00 0.00 +ATOM 25111 O WAT X7675 2.168 25.890 9.628 0.00 0.00 +ATOM 25112 H1 WAT X7675 1.323 26.334 9.700 0.00 0.00 +ATOM 25113 H2 WAT X7675 2.327 25.830 8.686 0.00 0.00 +ATOM 25114 O WAT X7676 54.607 3.709 13.424 0.00 0.00 +ATOM 25115 H1 WAT X7676 55.280 3.932 14.067 0.00 0.00 +ATOM 25116 H2 WAT X7676 53.795 3.673 13.930 0.00 0.00 +ATOM 25117 O WAT X7677 44.456 14.602 24.874 0.00 0.00 +ATOM 25118 H1 WAT X7677 44.550 13.742 24.463 0.00 0.00 +ATOM 25119 H2 WAT X7677 44.260 14.410 25.790 0.00 0.00 +ATOM 25120 O WAT X7678 70.164 30.250 20.886 0.00 0.00 +ATOM 25121 H1 WAT X7678 69.503 30.937 20.976 0.00 0.00 +ATOM 25122 H2 WAT X7678 70.299 29.929 21.778 0.00 0.00 +ATOM 25123 O WAT X7679 72.260 58.274 30.745 0.00 0.00 +ATOM 25124 H1 WAT X7679 72.173 59.203 30.534 0.00 0.00 +ATOM 25125 H2 WAT X7679 71.980 58.209 31.658 0.00 0.00 +ATOM 25126 O WAT X7680 29.642 9.534 11.564 0.00 0.00 +ATOM 25127 H1 WAT X7680 28.703 9.636 11.721 0.00 0.00 +ATOM 25128 H2 WAT X7680 29.879 10.293 11.032 0.00 0.00 +ATOM 25129 O WAT X7681 14.557 50.368 15.375 0.00 0.00 +ATOM 25130 H1 WAT X7681 14.537 50.631 14.455 0.00 0.00 +ATOM 25131 H2 WAT X7681 14.561 49.412 15.351 0.00 0.00 +ATOM 25132 O WAT X7682 27.781 9.673 21.502 0.00 0.00 +ATOM 25133 H1 WAT X7682 27.483 10.577 21.602 0.00 0.00 +ATOM 25134 H2 WAT X7682 28.630 9.650 21.944 0.00 0.00 +ATOM 25135 O WAT X7683 38.801 1.561 18.190 0.00 0.00 +ATOM 25136 H1 WAT X7683 38.583 2.452 18.462 0.00 0.00 +ATOM 25137 H2 WAT X7683 39.753 1.564 18.096 0.00 0.00 +ATOM 25138 O WAT X7684 9.806 43.793 48.010 0.00 0.00 +ATOM 25139 H1 WAT X7684 9.157 44.298 48.501 0.00 0.00 +ATOM 25140 H2 WAT X7684 10.419 43.479 48.676 0.00 0.00 +ATOM 25141 O WAT X7685 0.276 48.914 55.405 0.00 0.00 +ATOM 25142 H1 WAT X7685 0.469 49.195 54.511 0.00 0.00 +ATOM 25143 H2 WAT X7685 1.123 48.936 55.851 0.00 0.00 +ATOM 25144 O WAT X7686 72.525 39.807 37.551 0.00 0.00 +ATOM 25145 H1 WAT X7686 71.873 40.265 37.020 0.00 0.00 +ATOM 25146 H2 WAT X7686 73.301 40.365 37.511 0.00 0.00 +ATOM 25147 O WAT X7687 2.890 46.786 36.580 0.00 0.00 +ATOM 25148 H1 WAT X7687 2.525 45.978 36.220 0.00 0.00 +ATOM 25149 H2 WAT X7687 3.803 46.571 36.774 0.00 0.00 +ATOM 25150 O WAT X7688 42.858 37.592 40.388 0.00 0.00 +ATOM 25151 H1 WAT X7688 42.431 37.613 41.244 0.00 0.00 +ATOM 25152 H2 WAT X7688 43.698 38.028 40.529 0.00 0.00 +ATOM 25153 O WAT X7689 61.777 42.866 43.767 0.00 0.00 +ATOM 25154 H1 WAT X7689 62.251 43.660 44.015 0.00 0.00 +ATOM 25155 H2 WAT X7689 62.202 42.576 42.960 0.00 0.00 +ATOM 25156 O WAT X7690 6.386 59.396 38.043 0.00 0.00 +ATOM 25157 H1 WAT X7690 6.449 59.994 37.298 0.00 0.00 +ATOM 25158 H2 WAT X7690 6.949 58.659 37.807 0.00 0.00 +ATOM 25159 O WAT X7691 47.501 6.957 51.934 0.00 0.00 +ATOM 25160 H1 WAT X7691 47.718 6.078 51.623 0.00 0.00 +ATOM 25161 H2 WAT X7691 48.337 7.423 51.939 0.00 0.00 +ATOM 25162 O WAT X7692 74.922 14.705 5.490 0.00 0.00 +ATOM 25163 H1 WAT X7692 75.214 14.768 6.400 0.00 0.00 +ATOM 25164 H2 WAT X7692 74.014 14.409 5.551 0.00 0.00 +ATOM 25165 O WAT X7693 72.476 14.036 11.520 0.00 0.00 +ATOM 25166 H1 WAT X7693 72.152 14.536 12.269 0.00 0.00 +ATOM 25167 H2 WAT X7693 73.392 14.300 11.433 0.00 0.00 +ATOM 25168 O WAT X7694 1.410 31.329 1.595 0.00 0.00 +ATOM 25169 H1 WAT X7694 0.682 31.148 1.000 0.00 0.00 +ATOM 25170 H2 WAT X7694 1.001 31.406 2.457 0.00 0.00 +ATOM 25171 O WAT X7695 22.157 21.217 40.528 0.00 0.00 +ATOM 25172 H1 WAT X7695 22.349 21.671 39.708 0.00 0.00 +ATOM 25173 H2 WAT X7695 22.991 21.210 40.999 0.00 0.00 +ATOM 25174 O WAT X7696 12.276 56.102 28.129 0.00 0.00 +ATOM 25175 H1 WAT X7696 13.172 56.018 28.455 0.00 0.00 +ATOM 25176 H2 WAT X7696 11.959 55.201 28.066 0.00 0.00 +ATOM 25177 O WAT X7697 29.336 45.512 18.047 0.00 0.00 +ATOM 25178 H1 WAT X7697 29.058 45.263 18.929 0.00 0.00 +ATOM 25179 H2 WAT X7697 30.289 45.424 18.063 0.00 0.00 +ATOM 25180 O WAT X7698 4.565 5.154 47.427 0.00 0.00 +ATOM 25181 H1 WAT X7698 4.785 6.035 47.730 0.00 0.00 +ATOM 25182 H2 WAT X7698 3.609 5.141 47.402 0.00 0.00 +ATOM 25183 O WAT X7699 25.933 13.738 10.042 0.00 0.00 +ATOM 25184 H1 WAT X7699 25.965 13.039 10.695 0.00 0.00 +ATOM 25185 H2 WAT X7699 25.773 14.533 10.551 0.00 0.00 +ATOM 25186 O WAT X7700 76.865 2.282 15.797 0.00 0.00 +ATOM 25187 H1 WAT X7700 77.190 1.492 15.364 0.00 0.00 +ATOM 25188 H2 WAT X7700 76.523 1.972 16.635 0.00 0.00 +ATOM 25189 O WAT X7701 76.584 63.344 54.648 0.00 0.00 +ATOM 25190 H1 WAT X7701 77.001 62.485 54.707 0.00 0.00 +ATOM 25191 H2 WAT X7701 75.812 63.199 54.101 0.00 0.00 +ATOM 25192 O WAT X7702 64.588 33.931 46.295 0.00 0.00 +ATOM 25193 H1 WAT X7702 64.235 33.534 47.092 0.00 0.00 +ATOM 25194 H2 WAT X7702 65.537 33.858 46.392 0.00 0.00 +ATOM 25195 O WAT X7703 19.564 19.028 30.105 0.00 0.00 +ATOM 25196 H1 WAT X7703 19.149 18.752 30.923 0.00 0.00 +ATOM 25197 H2 WAT X7703 18.859 19.441 29.607 0.00 0.00 +ATOM 25198 O WAT X7704 76.376 55.686 27.251 0.00 0.00 +ATOM 25199 H1 WAT X7704 75.467 55.508 27.010 0.00 0.00 +ATOM 25200 H2 WAT X7704 76.406 55.542 28.197 0.00 0.00 +ATOM 25201 O WAT X7705 5.742 25.237 23.673 0.00 0.00 +ATOM 25202 H1 WAT X7705 5.166 24.623 24.128 0.00 0.00 +ATOM 25203 H2 WAT X7705 6.529 24.729 23.479 0.00 0.00 +ATOM 25204 O WAT X7706 13.024 9.891 53.727 0.00 0.00 +ATOM 25205 H1 WAT X7706 12.488 10.235 53.013 0.00 0.00 +ATOM 25206 H2 WAT X7706 12.883 10.503 54.449 0.00 0.00 +ATOM 25207 O WAT X7707 10.455 47.768 43.307 0.00 0.00 +ATOM 25208 H1 WAT X7707 10.809 46.975 43.708 0.00 0.00 +ATOM 25209 H2 WAT X7707 10.287 47.522 42.397 0.00 0.00 +ATOM 25210 O WAT X7708 66.731 3.204 20.638 0.00 0.00 +ATOM 25211 H1 WAT X7708 66.889 2.476 20.037 0.00 0.00 +ATOM 25212 H2 WAT X7708 67.467 3.799 20.492 0.00 0.00 +ATOM 25213 O WAT X7709 68.776 32.349 42.557 0.00 0.00 +ATOM 25214 H1 WAT X7709 69.368 32.284 43.307 0.00 0.00 +ATOM 25215 H2 WAT X7709 67.924 32.078 42.900 0.00 0.00 +ATOM 25216 O WAT X7710 74.656 45.647 44.100 0.00 0.00 +ATOM 25217 H1 WAT X7710 74.633 46.359 44.739 0.00 0.00 +ATOM 25218 H2 WAT X7710 74.601 46.086 43.251 0.00 0.00 +ATOM 25219 O WAT X7711 5.139 30.899 0.247 0.00 0.00 +ATOM 25220 H1 WAT X7711 5.609 30.568 -0.519 0.00 0.00 +ATOM 25221 H2 WAT X7711 5.809 31.347 0.763 0.00 0.00 +ATOM 25222 O WAT X7712 72.462 38.274 4.346 0.00 0.00 +ATOM 25223 H1 WAT X7712 72.828 38.091 5.212 0.00 0.00 +ATOM 25224 H2 WAT X7712 73.227 38.378 3.780 0.00 0.00 +ATOM 25225 O WAT X7713 61.055 19.936 47.194 0.00 0.00 +ATOM 25226 H1 WAT X7713 61.497 19.620 47.982 0.00 0.00 +ATOM 25227 H2 WAT X7713 61.614 20.644 46.874 0.00 0.00 +ATOM 25228 O WAT X7714 20.939 43.328 11.104 0.00 0.00 +ATOM 25229 H1 WAT X7714 21.010 44.283 11.085 0.00 0.00 +ATOM 25230 H2 WAT X7714 20.242 43.127 10.480 0.00 0.00 +ATOM 25231 O WAT X7715 72.928 16.637 44.856 0.00 0.00 +ATOM 25232 H1 WAT X7715 72.284 16.120 44.372 0.00 0.00 +ATOM 25233 H2 WAT X7715 72.410 17.137 45.486 0.00 0.00 +ATOM 25234 O WAT X7716 67.020 1.070 35.535 0.00 0.00 +ATOM 25235 H1 WAT X7716 67.088 0.629 36.382 0.00 0.00 +ATOM 25236 H2 WAT X7716 67.163 1.995 35.736 0.00 0.00 +ATOM 25237 O WAT X7717 37.787 43.251 49.601 0.00 0.00 +ATOM 25238 H1 WAT X7717 38.547 43.088 50.160 0.00 0.00 +ATOM 25239 H2 WAT X7717 37.155 42.578 49.854 0.00 0.00 +ATOM 25240 O WAT X7718 19.434 22.107 46.128 0.00 0.00 +ATOM 25241 H1 WAT X7718 19.460 22.527 46.987 0.00 0.00 +ATOM 25242 H2 WAT X7718 18.959 21.290 46.275 0.00 0.00 +ATOM 25243 O WAT X7719 77.584 50.601 49.370 0.00 0.00 +ATOM 25244 H1 WAT X7719 77.969 51.132 50.068 0.00 0.00 +ATOM 25245 H2 WAT X7719 76.860 51.132 49.039 0.00 0.00 +ATOM 25246 O WAT X7720 52.286 41.393 17.946 0.00 0.00 +ATOM 25247 H1 WAT X7720 51.632 41.696 17.316 0.00 0.00 +ATOM 25248 H2 WAT X7720 53.088 41.299 17.431 0.00 0.00 +ATOM 25249 O WAT X7721 68.921 34.366 32.582 0.00 0.00 +ATOM 25250 H1 WAT X7721 69.171 34.212 33.493 0.00 0.00 +ATOM 25251 H2 WAT X7721 68.884 35.319 32.501 0.00 0.00 +ATOM 25252 O WAT X7722 62.171 20.620 12.190 0.00 0.00 +ATOM 25253 H1 WAT X7722 62.152 20.540 11.236 0.00 0.00 +ATOM 25254 H2 WAT X7722 61.408 21.159 12.400 0.00 0.00 +ATOM 25255 O WAT X7723 50.854 3.507 31.578 0.00 0.00 +ATOM 25256 H1 WAT X7723 50.702 2.679 32.033 0.00 0.00 +ATOM 25257 H2 WAT X7723 51.486 3.970 32.128 0.00 0.00 +ATOM 25258 O WAT X7724 73.769 28.240 18.489 0.00 0.00 +ATOM 25259 H1 WAT X7724 72.909 28.549 18.204 0.00 0.00 +ATOM 25260 H2 WAT X7724 74.225 29.032 18.775 0.00 0.00 +ATOM 25261 O WAT X7725 68.033 2.078 55.669 0.00 0.00 +ATOM 25262 H1 WAT X7725 68.866 2.549 55.652 0.00 0.00 +ATOM 25263 H2 WAT X7725 67.395 2.730 55.961 0.00 0.00 +ATOM 25264 O WAT X7726 52.311 55.534 35.692 0.00 0.00 +ATOM 25265 H1 WAT X7726 51.897 55.818 34.878 0.00 0.00 +ATOM 25266 H2 WAT X7726 52.658 54.664 35.494 0.00 0.00 +ATOM 25267 O WAT X7727 41.305 4.329 35.138 0.00 0.00 +ATOM 25268 H1 WAT X7727 40.557 4.890 34.935 0.00 0.00 +ATOM 25269 H2 WAT X7727 41.609 4.017 34.286 0.00 0.00 +ATOM 25270 O WAT X7728 7.762 2.204 27.457 0.00 0.00 +ATOM 25271 H1 WAT X7728 8.112 1.315 27.524 0.00 0.00 +ATOM 25272 H2 WAT X7728 8.325 2.635 26.815 0.00 0.00 +ATOM 25273 O WAT X7729 26.493 22.001 40.582 0.00 0.00 +ATOM 25274 H1 WAT X7729 27.298 21.925 41.095 0.00 0.00 +ATOM 25275 H2 WAT X7729 26.716 22.607 39.875 0.00 0.00 +ATOM 25276 O WAT X7730 2.723 30.751 37.857 0.00 0.00 +ATOM 25277 H1 WAT X7730 2.267 30.089 37.337 0.00 0.00 +ATOM 25278 H2 WAT X7730 2.321 30.693 38.724 0.00 0.00 +ATOM 25279 O WAT X7731 77.512 31.472 25.354 0.00 0.00 +ATOM 25280 H1 WAT X7731 78.111 31.977 24.803 0.00 0.00 +ATOM 25281 H2 WAT X7731 77.950 31.425 26.203 0.00 0.00 +ATOM 25282 O WAT X7732 19.566 46.777 23.711 0.00 0.00 +ATOM 25283 H1 WAT X7732 19.991 47.097 22.916 0.00 0.00 +ATOM 25284 H2 WAT X7732 18.751 47.276 23.766 0.00 0.00 +ATOM 25285 O WAT X7733 64.929 45.788 28.239 0.00 0.00 +ATOM 25286 H1 WAT X7733 65.023 46.105 27.340 0.00 0.00 +ATOM 25287 H2 WAT X7733 64.030 46.012 28.479 0.00 0.00 +ATOM 25288 O WAT X7734 42.087 12.506 36.600 0.00 0.00 +ATOM 25289 H1 WAT X7734 42.910 12.943 36.380 0.00 0.00 +ATOM 25290 H2 WAT X7734 41.906 12.775 37.500 0.00 0.00 +ATOM 25291 O WAT X7735 30.340 50.892 30.035 0.00 0.00 +ATOM 25292 H1 WAT X7735 30.446 50.829 30.984 0.00 0.00 +ATOM 25293 H2 WAT X7735 29.846 51.702 29.903 0.00 0.00 +ATOM 25294 O WAT X7736 15.031 29.367 46.429 0.00 0.00 +ATOM 25295 H1 WAT X7736 15.556 28.961 47.119 0.00 0.00 +ATOM 25296 H2 WAT X7736 14.270 28.793 46.337 0.00 0.00 +ATOM 25297 O WAT X7737 54.504 46.947 44.688 0.00 0.00 +ATOM 25298 H1 WAT X7737 54.606 47.373 45.539 0.00 0.00 +ATOM 25299 H2 WAT X7737 53.882 46.238 44.849 0.00 0.00 +ATOM 25300 O WAT X7738 31.688 17.865 46.564 0.00 0.00 +ATOM 25301 H1 WAT X7738 31.369 17.794 47.464 0.00 0.00 +ATOM 25302 H2 WAT X7738 30.896 17.846 46.027 0.00 0.00 +ATOM 25303 O WAT X7739 65.625 20.976 11.469 0.00 0.00 +ATOM 25304 H1 WAT X7739 66.223 20.262 11.690 0.00 0.00 +ATOM 25305 H2 WAT X7739 64.762 20.658 11.733 0.00 0.00 +ATOM 25306 O WAT X7740 73.562 0.696 26.987 0.00 0.00 +ATOM 25307 H1 WAT X7740 73.039 1.119 26.306 0.00 0.00 +ATOM 25308 H2 WAT X7740 73.941 1.422 27.483 0.00 0.00 +ATOM 25309 O WAT X7741 67.318 7.055 16.878 0.00 0.00 +ATOM 25310 H1 WAT X7741 68.196 7.089 17.259 0.00 0.00 +ATOM 25311 H2 WAT X7741 66.750 7.425 17.553 0.00 0.00 +ATOM 25312 O WAT X7742 43.398 8.962 28.527 0.00 0.00 +ATOM 25313 H1 WAT X7742 44.332 8.777 28.622 0.00 0.00 +ATOM 25314 H2 WAT X7742 43.006 8.634 29.336 0.00 0.00 +ATOM 25315 O WAT X7743 76.119 20.359 36.706 0.00 0.00 +ATOM 25316 H1 WAT X7743 76.103 20.622 35.786 0.00 0.00 +ATOM 25317 H2 WAT X7743 77.032 20.128 36.873 0.00 0.00 +ATOM 25318 O WAT X7744 10.644 39.113 49.445 0.00 0.00 +ATOM 25319 H1 WAT X7744 10.985 38.991 48.559 0.00 0.00 +ATOM 25320 H2 WAT X7744 9.816 38.633 49.451 0.00 0.00 +ATOM 25321 O WAT X7745 13.964 14.366 4.163 0.00 0.00 +ATOM 25322 H1 WAT X7745 14.391 15.196 4.375 0.00 0.00 +ATOM 25323 H2 WAT X7745 13.724 14.449 3.240 0.00 0.00 +ATOM 25324 O WAT X7746 25.932 18.223 54.578 0.00 0.00 +ATOM 25325 H1 WAT X7746 26.134 17.344 54.259 0.00 0.00 +ATOM 25326 H2 WAT X7746 25.173 18.103 55.148 0.00 0.00 +ATOM 25327 O WAT X7747 61.060 24.251 46.911 0.00 0.00 +ATOM 25328 H1 WAT X7747 60.765 24.683 46.109 0.00 0.00 +ATOM 25329 H2 WAT X7747 60.666 24.763 47.618 0.00 0.00 +ATOM 25330 O WAT X7748 42.581 53.472 6.318 0.00 0.00 +ATOM 25331 H1 WAT X7748 42.592 53.076 5.446 0.00 0.00 +ATOM 25332 H2 WAT X7748 41.664 53.705 6.462 0.00 0.00 +ATOM 25333 O WAT X7749 20.608 33.388 56.456 0.00 0.00 +ATOM 25334 H1 WAT X7749 20.609 33.313 57.410 0.00 0.00 +ATOM 25335 H2 WAT X7749 21.508 33.628 56.234 0.00 0.00 +ATOM 25336 O WAT X7750 9.900 24.235 5.091 0.00 0.00 +ATOM 25337 H1 WAT X7750 10.425 24.718 5.729 0.00 0.00 +ATOM 25338 H2 WAT X7750 9.001 24.319 5.408 0.00 0.00 +ATOM 25339 O WAT X7751 72.827 27.559 48.031 0.00 0.00 +ATOM 25340 H1 WAT X7751 72.587 26.772 47.542 0.00 0.00 +ATOM 25341 H2 WAT X7751 72.803 27.288 48.949 0.00 0.00 +ATOM 25342 O WAT X7752 6.625 23.888 56.637 0.00 0.00 +ATOM 25343 H1 WAT X7752 5.736 24.208 56.488 0.00 0.00 +ATOM 25344 H2 WAT X7752 7.158 24.680 56.702 0.00 0.00 +ATOM 25345 O WAT X7753 36.163 56.111 42.837 0.00 0.00 +ATOM 25346 H1 WAT X7753 35.241 56.142 43.093 0.00 0.00 +ATOM 25347 H2 WAT X7753 36.339 55.182 42.688 0.00 0.00 +ATOM 25348 O WAT X7754 39.013 60.247 55.850 0.00 0.00 +ATOM 25349 H1 WAT X7754 39.756 59.885 55.366 0.00 0.00 +ATOM 25350 H2 WAT X7754 38.402 59.515 55.933 0.00 0.00 +ATOM 25351 O WAT X7755 59.472 6.359 56.802 0.00 0.00 +ATOM 25352 H1 WAT X7755 59.907 7.049 56.301 0.00 0.00 +ATOM 25353 H2 WAT X7755 60.147 6.031 57.395 0.00 0.00 +ATOM 25354 O WAT X7756 21.710 13.963 23.600 0.00 0.00 +ATOM 25355 H1 WAT X7756 21.017 13.733 24.219 0.00 0.00 +ATOM 25356 H2 WAT X7756 22.111 13.125 23.369 0.00 0.00 +ATOM 25357 O WAT X7757 60.508 49.531 32.134 0.00 0.00 +ATOM 25358 H1 WAT X7757 60.802 50.008 32.910 0.00 0.00 +ATOM 25359 H2 WAT X7757 61.186 48.870 31.989 0.00 0.00 +ATOM 25360 O WAT X7758 76.698 54.371 22.850 0.00 0.00 +ATOM 25361 H1 WAT X7758 75.817 54.697 23.036 0.00 0.00 +ATOM 25362 H2 WAT X7758 77.279 55.083 23.120 0.00 0.00 +ATOM 25363 O WAT X7759 68.394 36.559 11.458 0.00 0.00 +ATOM 25364 H1 WAT X7759 68.458 36.896 12.352 0.00 0.00 +ATOM 25365 H2 WAT X7759 69.263 36.706 11.084 0.00 0.00 +ATOM 25366 O WAT X7760 69.139 58.325 31.237 0.00 0.00 +ATOM 25367 H1 WAT X7760 69.701 57.558 31.350 0.00 0.00 +ATOM 25368 H2 WAT X7760 68.376 57.994 30.762 0.00 0.00 +ATOM 25369 O WAT X7761 4.726 37.390 2.293 0.00 0.00 +ATOM 25370 H1 WAT X7761 5.402 36.724 2.165 0.00 0.00 +ATOM 25371 H2 WAT X7761 5.014 38.129 1.757 0.00 0.00 +ATOM 25372 O WAT X7762 42.436 12.019 42.893 0.00 0.00 +ATOM 25373 H1 WAT X7762 42.617 11.548 42.080 0.00 0.00 +ATOM 25374 H2 WAT X7762 43.042 11.640 43.530 0.00 0.00 +ATOM 25375 O WAT X7763 32.984 3.330 52.288 0.00 0.00 +ATOM 25376 H1 WAT X7763 32.074 3.625 52.325 0.00 0.00 +ATOM 25377 H2 WAT X7763 33.444 4.032 51.828 0.00 0.00 +ATOM 25378 O WAT X7764 0.440 58.006 42.581 0.00 0.00 +ATOM 25379 H1 WAT X7764 1.127 57.437 42.927 0.00 0.00 +ATOM 25380 H2 WAT X7764 -0.127 58.181 43.332 0.00 0.00 +ATOM 25381 O WAT X7765 55.804 41.905 43.006 0.00 0.00 +ATOM 25382 H1 WAT X7765 56.698 42.247 43.034 0.00 0.00 +ATOM 25383 H2 WAT X7765 55.361 42.332 43.739 0.00 0.00 +ATOM 25384 O WAT X7766 67.775 27.076 37.175 0.00 0.00 +ATOM 25385 H1 WAT X7766 67.175 27.792 37.385 0.00 0.00 +ATOM 25386 H2 WAT X7766 68.065 26.749 38.027 0.00 0.00 +ATOM 25387 O WAT X7767 71.577 60.820 30.867 0.00 0.00 +ATOM 25388 H1 WAT X7767 71.936 61.694 30.716 0.00 0.00 +ATOM 25389 H2 WAT X7767 70.934 60.942 31.565 0.00 0.00 +ATOM 25390 O WAT X7768 7.738 17.407 39.853 0.00 0.00 +ATOM 25391 H1 WAT X7768 8.228 17.147 39.073 0.00 0.00 +ATOM 25392 H2 WAT X7768 8.081 18.273 40.074 0.00 0.00 +ATOM 25393 O WAT X7769 59.379 17.858 16.558 0.00 0.00 +ATOM 25394 H1 WAT X7769 59.802 18.484 15.970 0.00 0.00 +ATOM 25395 H2 WAT X7769 58.548 17.653 16.131 0.00 0.00 +ATOM 25396 O WAT X7770 17.044 31.007 18.608 0.00 0.00 +ATOM 25397 H1 WAT X7770 16.107 31.193 18.536 0.00 0.00 +ATOM 25398 H2 WAT X7770 17.169 30.211 18.091 0.00 0.00 +ATOM 25399 O WAT X7771 68.468 26.658 23.232 0.00 0.00 +ATOM 25400 H1 WAT X7771 69.267 27.107 22.959 0.00 0.00 +ATOM 25401 H2 WAT X7771 68.003 26.478 22.415 0.00 0.00 +ATOM 25402 O WAT X7772 59.817 38.460 48.715 0.00 0.00 +ATOM 25403 H1 WAT X7772 60.244 37.629 48.922 0.00 0.00 +ATOM 25404 H2 WAT X7772 59.224 38.252 47.993 0.00 0.00 +ATOM 25405 O WAT X7773 35.770 24.336 12.089 0.00 0.00 +ATOM 25406 H1 WAT X7773 36.491 24.924 11.865 0.00 0.00 +ATOM 25407 H2 WAT X7773 35.184 24.870 12.626 0.00 0.00 +ATOM 25408 O WAT X7774 32.816 37.355 57.763 0.00 0.00 +ATOM 25409 H1 WAT X7774 33.209 36.618 58.231 0.00 0.00 +ATOM 25410 H2 WAT X7774 33.562 37.843 57.415 0.00 0.00 +ATOM 25411 O WAT X7775 24.124 14.365 41.011 0.00 0.00 +ATOM 25412 H1 WAT X7775 23.261 14.015 41.234 0.00 0.00 +ATOM 25413 H2 WAT X7775 24.280 15.051 41.660 0.00 0.00 +ATOM 25414 O WAT X7776 1.486 53.066 1.503 0.00 0.00 +ATOM 25415 H1 WAT X7776 0.690 53.445 1.130 0.00 0.00 +ATOM 25416 H2 WAT X7776 1.189 52.617 2.294 0.00 0.00 +ATOM 25417 O WAT X7777 39.356 57.564 40.750 0.00 0.00 +ATOM 25418 H1 WAT X7777 40.312 57.526 40.731 0.00 0.00 +ATOM 25419 H2 WAT X7777 39.142 57.765 41.661 0.00 0.00 +ATOM 25420 O WAT X7778 5.798 39.799 49.574 0.00 0.00 +ATOM 25421 H1 WAT X7778 5.310 39.335 48.895 0.00 0.00 +ATOM 25422 H2 WAT X7778 5.220 40.516 49.838 0.00 0.00 +ATOM 25423 O WAT X7779 7.341 35.598 24.628 0.00 0.00 +ATOM 25424 H1 WAT X7779 6.651 36.222 24.853 0.00 0.00 +ATOM 25425 H2 WAT X7779 7.015 34.756 24.947 0.00 0.00 +ATOM 25426 O WAT X7780 71.062 29.671 56.785 0.00 0.00 +ATOM 25427 H1 WAT X7780 70.900 28.754 57.006 0.00 0.00 +ATOM 25428 H2 WAT X7780 70.849 29.734 55.854 0.00 0.00 +ATOM 25429 O WAT X7781 60.595 50.480 36.566 0.00 0.00 +ATOM 25430 H1 WAT X7781 61.463 50.365 36.181 0.00 0.00 +ATOM 25431 H2 WAT X7781 60.240 49.593 36.628 0.00 0.00 +ATOM 25432 O WAT X7782 45.000 21.040 2.050 0.00 0.00 +ATOM 25433 H1 WAT X7782 44.254 20.878 2.628 0.00 0.00 +ATOM 25434 H2 WAT X7782 44.624 21.044 1.169 0.00 0.00 +ATOM 25435 O WAT X7783 29.536 0.820 9.499 0.00 0.00 +ATOM 25436 H1 WAT X7783 30.305 0.317 9.769 0.00 0.00 +ATOM 25437 H2 WAT X7783 28.940 0.167 9.133 0.00 0.00 +ATOM 25438 O WAT X7784 71.300 15.639 9.428 0.00 0.00 +ATOM 25439 H1 WAT X7784 71.349 14.944 10.085 0.00 0.00 +ATOM 25440 H2 WAT X7784 71.137 16.435 9.934 0.00 0.00 +ATOM 25441 O WAT X7785 8.764 19.944 2.302 0.00 0.00 +ATOM 25442 H1 WAT X7785 9.398 19.448 1.783 0.00 0.00 +ATOM 25443 H2 WAT X7785 8.020 19.351 2.402 0.00 0.00 +ATOM 25444 O WAT X7786 4.634 16.549 19.937 0.00 0.00 +ATOM 25445 H1 WAT X7786 5.161 16.302 19.177 0.00 0.00 +ATOM 25446 H2 WAT X7786 5.155 17.216 20.383 0.00 0.00 +ATOM 25447 O WAT X7787 28.377 33.112 2.911 0.00 0.00 +ATOM 25448 H1 WAT X7787 27.775 33.809 3.174 0.00 0.00 +ATOM 25449 H2 WAT X7787 27.809 32.368 2.709 0.00 0.00 +ATOM 25450 O WAT X7788 8.910 29.774 32.481 0.00 0.00 +ATOM 25451 H1 WAT X7788 9.715 29.377 32.150 0.00 0.00 +ATOM 25452 H2 WAT X7788 9.155 30.676 32.689 0.00 0.00 +ATOM 25453 O WAT X7789 10.890 60.066 12.568 0.00 0.00 +ATOM 25454 H1 WAT X7789 11.683 60.393 12.145 0.00 0.00 +ATOM 25455 H2 WAT X7789 10.255 60.776 12.469 0.00 0.00 +ATOM 25456 O WAT X7790 58.134 15.046 10.425 0.00 0.00 +ATOM 25457 H1 WAT X7790 58.553 14.654 11.192 0.00 0.00 +ATOM 25458 H2 WAT X7790 57.255 14.667 10.412 0.00 0.00 +ATOM 25459 O WAT X7791 73.096 4.806 45.557 0.00 0.00 +ATOM 25460 H1 WAT X7791 72.476 4.752 46.284 0.00 0.00 +ATOM 25461 H2 WAT X7791 72.886 5.634 45.124 0.00 0.00 +ATOM 25462 O WAT X7792 24.867 6.993 27.224 0.00 0.00 +ATOM 25463 H1 WAT X7792 24.456 7.747 27.647 0.00 0.00 +ATOM 25464 H2 WAT X7792 25.797 7.075 27.439 0.00 0.00 +ATOM 25465 O WAT X7793 55.527 52.794 35.833 0.00 0.00 +ATOM 25466 H1 WAT X7793 54.861 53.168 35.257 0.00 0.00 +ATOM 25467 H2 WAT X7793 56.246 53.426 35.811 0.00 0.00 +ATOM 25468 O WAT X7794 8.831 60.648 29.618 0.00 0.00 +ATOM 25469 H1 WAT X7794 9.092 60.494 30.526 0.00 0.00 +ATOM 25470 H2 WAT X7794 8.244 59.920 29.411 0.00 0.00 +ATOM 25471 O WAT X7795 47.787 3.597 43.837 0.00 0.00 +ATOM 25472 H1 WAT X7795 47.344 3.272 44.621 0.00 0.00 +ATOM 25473 H2 WAT X7795 47.728 4.550 43.906 0.00 0.00 +ATOM 25474 O WAT X7796 75.183 45.030 50.706 0.00 0.00 +ATOM 25475 H1 WAT X7796 75.764 45.789 50.761 0.00 0.00 +ATOM 25476 H2 WAT X7796 75.443 44.475 51.441 0.00 0.00 +ATOM 25477 O WAT X7797 16.382 22.573 0.988 0.00 0.00 +ATOM 25478 H1 WAT X7797 17.242 22.366 0.622 0.00 0.00 +ATOM 25479 H2 WAT X7797 16.464 23.474 1.299 0.00 0.00 +ATOM 25480 O WAT X7798 6.517 20.415 12.055 0.00 0.00 +ATOM 25481 H1 WAT X7798 7.198 20.717 12.657 0.00 0.00 +ATOM 25482 H2 WAT X7798 6.267 21.198 11.565 0.00 0.00 +ATOM 25483 O WAT X7799 3.143 12.258 38.903 0.00 0.00 +ATOM 25484 H1 WAT X7799 4.088 12.271 38.753 0.00 0.00 +ATOM 25485 H2 WAT X7799 2.789 11.773 38.158 0.00 0.00 +ATOM 25486 O WAT X7800 0.701 39.804 53.589 0.00 0.00 +ATOM 25487 H1 WAT X7800 1.031 40.564 54.068 0.00 0.00 +ATOM 25488 H2 WAT X7800 -0.230 39.768 53.807 0.00 0.00 +ATOM 25489 O WAT X7801 39.726 11.022 26.005 0.00 0.00 +ATOM 25490 H1 WAT X7801 40.471 11.046 25.404 0.00 0.00 +ATOM 25491 H2 WAT X7801 39.930 10.309 26.610 0.00 0.00 +ATOM 25492 O WAT X7802 71.910 21.328 48.068 0.00 0.00 +ATOM 25493 H1 WAT X7802 71.673 21.979 48.729 0.00 0.00 +ATOM 25494 H2 WAT X7802 72.032 20.518 48.564 0.00 0.00 +ATOM 25495 O WAT X7803 64.875 7.692 53.026 0.00 0.00 +ATOM 25496 H1 WAT X7803 64.514 6.828 53.222 0.00 0.00 +ATOM 25497 H2 WAT X7803 64.132 8.192 52.690 0.00 0.00 +ATOM 25498 O WAT X7804 54.649 17.259 8.825 0.00 0.00 +ATOM 25499 H1 WAT X7804 55.205 17.162 9.599 0.00 0.00 +ATOM 25500 H2 WAT X7804 54.822 16.474 8.306 0.00 0.00 +ATOM 25501 O WAT X7805 30.437 14.574 55.108 0.00 0.00 +ATOM 25502 H1 WAT X7805 29.616 14.857 54.705 0.00 0.00 +ATOM 25503 H2 WAT X7805 30.771 13.896 54.521 0.00 0.00 +ATOM 25504 O WAT X7806 7.532 43.893 23.376 0.00 0.00 +ATOM 25505 H1 WAT X7806 6.702 44.123 22.958 0.00 0.00 +ATOM 25506 H2 WAT X7806 7.318 43.149 23.939 0.00 0.00 +ATOM 25507 O WAT X7807 41.792 7.004 33.486 0.00 0.00 +ATOM 25508 H1 WAT X7807 41.126 7.107 34.166 0.00 0.00 +ATOM 25509 H2 WAT X7807 41.635 6.131 33.127 0.00 0.00 +ATOM 25510 O WAT X7808 23.631 2.927 2.907 0.00 0.00 +ATOM 25511 H1 WAT X7808 23.338 2.796 3.808 0.00 0.00 +ATOM 25512 H2 WAT X7808 22.943 2.532 2.371 0.00 0.00 +ATOM 25513 O WAT X7809 70.413 8.653 27.060 0.00 0.00 +ATOM 25514 H1 WAT X7809 71.246 9.123 27.102 0.00 0.00 +ATOM 25515 H2 WAT X7809 70.277 8.489 26.127 0.00 0.00 +ATOM 25516 O WAT X7810 45.844 58.351 39.967 0.00 0.00 +ATOM 25517 H1 WAT X7810 44.967 58.544 39.634 0.00 0.00 +ATOM 25518 H2 WAT X7810 45.728 58.266 40.913 0.00 0.00 +ATOM 25519 O WAT X7811 60.312 54.057 5.693 0.00 0.00 +ATOM 25520 H1 WAT X7811 59.464 53.953 5.260 0.00 0.00 +ATOM 25521 H2 WAT X7811 60.715 53.190 5.640 0.00 0.00 +ATOM 25522 O WAT X7812 19.420 55.048 52.179 0.00 0.00 +ATOM 25523 H1 WAT X7812 20.231 54.913 51.689 0.00 0.00 +ATOM 25524 H2 WAT X7812 19.159 55.944 51.967 0.00 0.00 +ATOM 25525 O WAT X7813 2.840 33.127 7.671 0.00 0.00 +ATOM 25526 H1 WAT X7813 2.803 32.832 6.761 0.00 0.00 +ATOM 25527 H2 WAT X7813 2.585 32.359 8.182 0.00 0.00 +ATOM 25528 O WAT X7814 71.605 40.511 15.325 0.00 0.00 +ATOM 25529 H1 WAT X7814 71.701 41.438 15.109 0.00 0.00 +ATOM 25530 H2 WAT X7814 72.473 40.244 15.627 0.00 0.00 +ATOM 25531 O WAT X7815 15.942 23.824 20.046 0.00 0.00 +ATOM 25532 H1 WAT X7815 16.186 23.468 19.191 0.00 0.00 +ATOM 25533 H2 WAT X7815 15.020 24.062 19.951 0.00 0.00 +ATOM 25534 O WAT X7816 36.042 23.165 3.169 0.00 0.00 +ATOM 25535 H1 WAT X7816 35.776 22.246 3.150 0.00 0.00 +ATOM 25536 H2 WAT X7816 35.291 23.639 2.811 0.00 0.00 +ATOM 25537 O WAT X7817 23.915 43.022 3.833 0.00 0.00 +ATOM 25538 H1 WAT X7817 23.736 43.904 3.509 0.00 0.00 +ATOM 25539 H2 WAT X7817 23.168 42.816 4.394 0.00 0.00 +ATOM 25540 O WAT X7818 34.453 61.504 15.217 0.00 0.00 +ATOM 25541 H1 WAT X7818 34.503 61.527 14.262 0.00 0.00 +ATOM 25542 H2 WAT X7818 34.006 62.316 15.454 0.00 0.00 +ATOM 25543 O WAT X7819 24.164 56.410 4.141 0.00 0.00 +ATOM 25544 H1 WAT X7819 24.774 56.403 3.404 0.00 0.00 +ATOM 25545 H2 WAT X7819 24.029 55.486 4.350 0.00 0.00 +ATOM 25546 O WAT X7820 1.142 12.681 56.089 0.00 0.00 +ATOM 25547 H1 WAT X7820 0.468 12.932 55.458 0.00 0.00 +ATOM 25548 H2 WAT X7820 1.863 12.352 55.552 0.00 0.00 +ATOM 25549 O WAT X7821 73.550 59.922 4.926 0.00 0.00 +ATOM 25550 H1 WAT X7821 73.002 60.102 4.162 0.00 0.00 +ATOM 25551 H2 WAT X7821 73.104 60.363 5.650 0.00 0.00 +ATOM 25552 O WAT X7822 30.286 2.628 11.258 0.00 0.00 +ATOM 25553 H1 WAT X7822 29.860 2.286 10.472 0.00 0.00 +ATOM 25554 H2 WAT X7822 31.206 2.383 11.158 0.00 0.00 +ATOM 25555 O WAT X7823 42.361 9.919 55.183 0.00 0.00 +ATOM 25556 H1 WAT X7823 42.329 10.582 54.493 0.00 0.00 +ATOM 25557 H2 WAT X7823 42.161 10.399 55.986 0.00 0.00 +ATOM 25558 O WAT X7824 75.036 25.245 47.239 0.00 0.00 +ATOM 25559 H1 WAT X7824 75.011 25.191 46.284 0.00 0.00 +ATOM 25560 H2 WAT X7824 75.920 24.962 47.472 0.00 0.00 +ATOM 25561 O WAT X7825 43.493 54.717 29.189 0.00 0.00 +ATOM 25562 H1 WAT X7825 43.729 54.340 28.341 0.00 0.00 +ATOM 25563 H2 WAT X7825 43.989 55.534 29.235 0.00 0.00 +ATOM 25564 O WAT X7826 27.233 28.018 12.009 0.00 0.00 +ATOM 25565 H1 WAT X7826 27.768 28.799 11.868 0.00 0.00 +ATOM 25566 H2 WAT X7826 27.170 27.939 12.960 0.00 0.00 +ATOM 25567 O WAT X7827 16.997 16.710 5.839 0.00 0.00 +ATOM 25568 H1 WAT X7827 16.945 15.788 5.586 0.00 0.00 +ATOM 25569 H2 WAT X7827 17.173 16.691 6.779 0.00 0.00 +ATOM 25570 O WAT X7828 6.876 51.261 45.781 0.00 0.00 +ATOM 25571 H1 WAT X7828 6.965 50.664 45.038 0.00 0.00 +ATOM 25572 H2 WAT X7828 5.932 51.392 45.871 0.00 0.00 +ATOM 25573 O WAT X7829 10.771 35.593 57.075 0.00 0.00 +ATOM 25574 H1 WAT X7829 11.257 36.364 56.785 0.00 0.00 +ATOM 25575 H2 WAT X7829 10.103 35.939 57.667 0.00 0.00 +ATOM 25576 O WAT X7830 75.029 8.304 36.731 0.00 0.00 +ATOM 25577 H1 WAT X7830 75.548 8.313 37.535 0.00 0.00 +ATOM 25578 H2 WAT X7830 75.576 8.753 36.087 0.00 0.00 +ATOM 25579 O WAT X7831 16.772 50.446 27.675 0.00 0.00 +ATOM 25580 H1 WAT X7831 17.385 49.725 27.812 0.00 0.00 +ATOM 25581 H2 WAT X7831 16.072 50.290 28.309 0.00 0.00 +ATOM 25582 O WAT X7832 35.311 -0.118 19.339 0.00 0.00 +ATOM 25583 H1 WAT X7832 35.037 0.463 18.630 0.00 0.00 +ATOM 25584 H2 WAT X7832 36.266 -0.048 19.351 0.00 0.00 +ATOM 25585 O WAT X7833 20.369 62.443 44.985 0.00 0.00 +ATOM 25586 H1 WAT X7833 21.056 62.763 45.570 0.00 0.00 +ATOM 25587 H2 WAT X7833 20.748 62.517 44.109 0.00 0.00 +ATOM 25588 O WAT X7834 53.638 43.382 5.032 0.00 0.00 +ATOM 25589 H1 WAT X7834 53.766 43.242 4.094 0.00 0.00 +ATOM 25590 H2 WAT X7834 54.182 44.142 5.238 0.00 0.00 +ATOM 25591 O WAT X7835 71.431 16.661 3.866 0.00 0.00 +ATOM 25592 H1 WAT X7835 72.246 17.016 4.220 0.00 0.00 +ATOM 25593 H2 WAT X7835 70.813 16.706 4.596 0.00 0.00 +ATOM 25594 O WAT X7836 6.218 15.008 41.794 0.00 0.00 +ATOM 25595 H1 WAT X7836 6.848 15.319 41.145 0.00 0.00 +ATOM 25596 H2 WAT X7836 6.368 14.064 41.840 0.00 0.00 +ATOM 25597 O WAT X7837 21.248 2.397 34.702 0.00 0.00 +ATOM 25598 H1 WAT X7837 20.966 3.189 35.159 0.00 0.00 +ATOM 25599 H2 WAT X7837 20.502 2.159 34.152 0.00 0.00 +ATOM 25600 O WAT X7838 20.933 58.072 51.572 0.00 0.00 +ATOM 25601 H1 WAT X7838 20.043 57.720 51.576 0.00 0.00 +ATOM 25602 H2 WAT X7838 21.025 58.500 52.423 0.00 0.00 +ATOM 25603 O WAT X7839 72.810 60.296 52.424 0.00 0.00 +ATOM 25604 H1 WAT X7839 72.157 59.637 52.661 0.00 0.00 +ATOM 25605 H2 WAT X7839 72.630 61.032 53.009 0.00 0.00 +ATOM 25606 O WAT X7840 4.257 62.526 31.452 0.00 0.00 +ATOM 25607 H1 WAT X7840 3.768 63.301 31.176 0.00 0.00 +ATOM 25608 H2 WAT X7840 3.583 61.877 31.654 0.00 0.00 +ATOM 25609 O WAT X7841 3.237 0.271 55.106 0.00 0.00 +ATOM 25610 H1 WAT X7841 2.632 0.497 55.812 0.00 0.00 +ATOM 25611 H2 WAT X7841 2.944 0.797 54.362 0.00 0.00 +ATOM 25612 O WAT X7842 8.517 57.368 37.476 0.00 0.00 +ATOM 25613 H1 WAT X7842 7.958 56.612 37.659 0.00 0.00 +ATOM 25614 H2 WAT X7842 8.818 57.657 38.337 0.00 0.00 +ATOM 25615 O WAT X7843 9.605 57.359 17.997 0.00 0.00 +ATOM 25616 H1 WAT X7843 9.911 56.554 17.579 0.00 0.00 +ATOM 25617 H2 WAT X7843 9.523 57.986 17.278 0.00 0.00 +ATOM 25618 O WAT X7844 59.297 22.939 23.920 0.00 0.00 +ATOM 25619 H1 WAT X7844 59.992 23.353 23.408 0.00 0.00 +ATOM 25620 H2 WAT X7844 59.440 22.000 23.802 0.00 0.00 +ATOM 25621 O WAT X7845 12.009 40.925 50.788 0.00 0.00 +ATOM 25622 H1 WAT X7845 11.589 41.731 50.488 0.00 0.00 +ATOM 25623 H2 WAT X7845 11.580 40.231 50.287 0.00 0.00 +ATOM 25624 O WAT X7846 27.052 50.895 56.783 0.00 0.00 +ATOM 25625 H1 WAT X7846 27.824 51.381 56.491 0.00 0.00 +ATOM 25626 H2 WAT X7846 27.029 51.029 57.730 0.00 0.00 +ATOM 25627 O WAT X7847 61.695 49.057 44.216 0.00 0.00 +ATOM 25628 H1 WAT X7847 61.730 49.933 44.600 0.00 0.00 +ATOM 25629 H2 WAT X7847 61.059 48.585 44.753 0.00 0.00 +ATOM 25630 O WAT X7848 78.154 28.970 36.890 0.00 0.00 +ATOM 25631 H1 WAT X7848 78.068 28.680 35.982 0.00 0.00 +ATOM 25632 H2 WAT X7848 77.284 28.839 37.267 0.00 0.00 +ATOM 25633 O WAT X7849 12.753 2.600 47.834 0.00 0.00 +ATOM 25634 H1 WAT X7849 12.225 2.958 47.121 0.00 0.00 +ATOM 25635 H2 WAT X7849 12.675 1.651 47.736 0.00 0.00 +ATOM 25636 O WAT X7850 21.671 42.997 5.264 0.00 0.00 +ATOM 25637 H1 WAT X7850 21.522 43.769 5.809 0.00 0.00 +ATOM 25638 H2 WAT X7850 20.827 42.834 4.842 0.00 0.00 +ATOM 25639 O WAT X7851 21.618 8.065 12.442 0.00 0.00 +ATOM 25640 H1 WAT X7851 21.851 7.217 12.062 0.00 0.00 +ATOM 25641 H2 WAT X7851 22.288 8.222 13.107 0.00 0.00 +ATOM 25642 O WAT X7852 69.825 43.103 21.127 0.00 0.00 +ATOM 25643 H1 WAT X7852 69.600 42.359 20.569 0.00 0.00 +ATOM 25644 H2 WAT X7852 69.048 43.662 21.105 0.00 0.00 +ATOM 25645 O WAT X7853 23.841 51.030 18.581 0.00 0.00 +ATOM 25646 H1 WAT X7853 23.881 51.595 19.353 0.00 0.00 +ATOM 25647 H2 WAT X7853 24.393 51.469 17.934 0.00 0.00 +ATOM 25648 O WAT X7854 31.662 47.118 23.048 0.00 0.00 +ATOM 25649 H1 WAT X7854 30.864 47.074 22.522 0.00 0.00 +ATOM 25650 H2 WAT X7854 31.397 47.571 23.849 0.00 0.00 +ATOM 25651 O WAT X7855 54.795 52.186 5.336 0.00 0.00 +ATOM 25652 H1 WAT X7855 54.707 52.602 4.478 0.00 0.00 +ATOM 25653 H2 WAT X7855 55.261 52.831 5.868 0.00 0.00 +ATOM 25654 O WAT X7856 74.135 7.231 6.681 0.00 0.00 +ATOM 25655 H1 WAT X7856 74.176 8.179 6.552 0.00 0.00 +ATOM 25656 H2 WAT X7856 74.969 7.009 7.095 0.00 0.00 +ATOM 25657 O WAT X7857 29.165 13.663 13.660 0.00 0.00 +ATOM 25658 H1 WAT X7857 29.218 14.433 13.094 0.00 0.00 +ATOM 25659 H2 WAT X7857 29.710 13.883 14.415 0.00 0.00 +ATOM 25660 O WAT X7858 26.054 59.138 56.149 0.00 0.00 +ATOM 25661 H1 WAT X7858 26.694 59.335 55.465 0.00 0.00 +ATOM 25662 H2 WAT X7858 25.279 58.838 55.673 0.00 0.00 +ATOM 25663 O WAT X7859 75.071 11.164 7.821 0.00 0.00 +ATOM 25664 H1 WAT X7859 75.839 10.760 7.418 0.00 0.00 +ATOM 25665 H2 WAT X7859 75.204 11.045 8.761 0.00 0.00 +ATOM 25666 O WAT X7860 4.345 30.443 16.712 0.00 0.00 +ATOM 25667 H1 WAT X7860 5.179 30.398 17.179 0.00 0.00 +ATOM 25668 H2 WAT X7860 3.698 30.624 17.393 0.00 0.00 +ATOM 25669 O WAT X7861 27.901 62.989 21.579 0.00 0.00 +ATOM 25670 H1 WAT X7861 27.783 62.045 21.686 0.00 0.00 +ATOM 25671 H2 WAT X7861 28.511 63.073 20.847 0.00 0.00 +ATOM 25672 O WAT X7862 24.363 45.868 3.027 0.00 0.00 +ATOM 25673 H1 WAT X7862 25.217 46.298 3.066 0.00 0.00 +ATOM 25674 H2 WAT X7862 23.944 46.092 3.859 0.00 0.00 +ATOM 25675 O WAT X7863 10.718 49.157 50.056 0.00 0.00 +ATOM 25676 H1 WAT X7863 10.667 50.113 50.048 0.00 0.00 +ATOM 25677 H2 WAT X7863 10.236 48.898 50.841 0.00 0.00 +ATOM 25678 O WAT X7864 69.830 29.671 33.538 0.00 0.00 +ATOM 25679 H1 WAT X7864 70.695 29.682 33.949 0.00 0.00 +ATOM 25680 H2 WAT X7864 69.547 28.759 33.602 0.00 0.00 +ATOM 25681 O WAT X7865 24.775 0.245 56.557 0.00 0.00 +ATOM 25682 H1 WAT X7865 25.640 0.436 56.921 0.00 0.00 +ATOM 25683 H2 WAT X7865 24.251 -0.018 57.313 0.00 0.00 +ATOM 25684 O WAT X7866 15.069 27.145 23.240 0.00 0.00 +ATOM 25685 H1 WAT X7866 15.709 26.840 22.596 0.00 0.00 +ATOM 25686 H2 WAT X7866 14.848 26.363 23.747 0.00 0.00 +ATOM 25687 O WAT X7867 72.840 11.650 50.705 0.00 0.00 +ATOM 25688 H1 WAT X7867 72.913 11.299 51.592 0.00 0.00 +ATOM 25689 H2 WAT X7867 73.612 11.313 50.250 0.00 0.00 +ATOM 25690 O WAT X7868 75.232 62.936 57.884 0.00 0.00 +ATOM 25691 H1 WAT X7868 75.635 62.393 57.206 0.00 0.00 +ATOM 25692 H2 WAT X7868 74.306 62.693 57.867 0.00 0.00 +ATOM 25693 O WAT X7869 67.693 20.962 38.520 0.00 0.00 +ATOM 25694 H1 WAT X7869 67.543 20.553 37.668 0.00 0.00 +ATOM 25695 H2 WAT X7869 68.515 20.581 38.828 0.00 0.00 +ATOM 25696 O WAT X7870 4.564 25.578 26.420 0.00 0.00 +ATOM 25697 H1 WAT X7870 5.274 25.685 25.787 0.00 0.00 +ATOM 25698 H2 WAT X7870 4.424 24.632 26.465 0.00 0.00 +ATOM 25699 O WAT X7871 16.160 2.866 56.634 0.00 0.00 +ATOM 25700 H1 WAT X7871 15.735 3.426 57.284 0.00 0.00 +ATOM 25701 H2 WAT X7871 16.496 3.475 55.976 0.00 0.00 +ATOM 25702 O WAT X7872 27.628 9.921 54.996 0.00 0.00 +ATOM 25703 H1 WAT X7872 27.376 9.228 55.606 0.00 0.00 +ATOM 25704 H2 WAT X7872 28.537 10.118 55.219 0.00 0.00 +ATOM 25705 O WAT X7873 16.505 0.206 49.175 0.00 0.00 +ATOM 25706 H1 WAT X7873 16.247 0.961 49.705 0.00 0.00 +ATOM 25707 H2 WAT X7873 17.460 0.253 49.140 0.00 0.00 +ATOM 25708 O WAT X7874 26.171 28.389 53.624 0.00 0.00 +ATOM 25709 H1 WAT X7874 26.872 28.986 53.884 0.00 0.00 +ATOM 25710 H2 WAT X7874 25.379 28.927 53.641 0.00 0.00 +ATOM 25711 O WAT X7875 15.667 17.647 25.791 0.00 0.00 +ATOM 25712 H1 WAT X7875 15.479 16.730 25.992 0.00 0.00 +ATOM 25713 H2 WAT X7875 14.825 18.092 25.888 0.00 0.00 +ATOM 25714 O WAT X7876 51.989 47.205 53.856 0.00 0.00 +ATOM 25715 H1 WAT X7876 52.720 47.822 53.876 0.00 0.00 +ATOM 25716 H2 WAT X7876 52.247 46.508 54.461 0.00 0.00 +ATOM 25717 O WAT X7877 75.018 26.706 58.243 0.00 0.00 +ATOM 25718 H1 WAT X7877 74.964 27.605 57.918 0.00 0.00 +ATOM 25719 H2 WAT X7877 74.107 26.426 58.323 0.00 0.00 +ATOM 25720 O WAT X7878 33.497 19.913 43.036 0.00 0.00 +ATOM 25721 H1 WAT X7878 34.272 20.405 43.308 0.00 0.00 +ATOM 25722 H2 WAT X7878 32.772 20.331 43.502 0.00 0.00 +ATOM 25723 O WAT X7879 60.587 13.633 44.876 0.00 0.00 +ATOM 25724 H1 WAT X7879 60.736 13.082 44.108 0.00 0.00 +ATOM 25725 H2 WAT X7879 59.994 13.122 45.428 0.00 0.00 +ATOM 25726 O WAT X7880 47.353 18.466 5.979 0.00 0.00 +ATOM 25727 H1 WAT X7880 47.656 17.564 6.088 0.00 0.00 +ATOM 25728 H2 WAT X7880 47.700 18.930 6.741 0.00 0.00 +ATOM 25729 O WAT X7881 29.392 51.662 4.294 0.00 0.00 +ATOM 25730 H1 WAT X7881 29.467 51.018 4.998 0.00 0.00 +ATOM 25731 H2 WAT X7881 30.240 52.105 4.283 0.00 0.00 +ATOM 25732 O WAT X7882 64.261 20.371 22.894 0.00 0.00 +ATOM 25733 H1 WAT X7882 65.059 20.429 22.370 0.00 0.00 +ATOM 25734 H2 WAT X7882 63.717 19.731 22.434 0.00 0.00 +ATOM 25735 O WAT X7883 30.728 29.197 41.489 0.00 0.00 +ATOM 25736 H1 WAT X7883 31.589 29.266 41.901 0.00 0.00 +ATOM 25737 H2 WAT X7883 30.243 29.954 41.818 0.00 0.00 +ATOM 25738 O WAT X7884 0.992 22.381 53.779 0.00 0.00 +ATOM 25739 H1 WAT X7884 0.922 23.312 53.568 0.00 0.00 +ATOM 25740 H2 WAT X7884 1.171 21.958 52.939 0.00 0.00 +ATOM 25741 O WAT X7885 14.847 3.611 45.623 0.00 0.00 +ATOM 25742 H1 WAT X7885 13.942 3.893 45.753 0.00 0.00 +ATOM 25743 H2 WAT X7885 14.774 2.782 45.149 0.00 0.00 +ATOM 25744 O WAT X7886 67.977 55.715 38.309 0.00 0.00 +ATOM 25745 H1 WAT X7886 68.185 56.456 37.741 0.00 0.00 +ATOM 25746 H2 WAT X7886 67.059 55.846 38.547 0.00 0.00 +ATOM 25747 O WAT X7887 44.317 14.241 27.610 0.00 0.00 +ATOM 25748 H1 WAT X7887 44.372 15.110 28.008 0.00 0.00 +ATOM 25749 H2 WAT X7887 44.844 13.683 28.182 0.00 0.00 +ATOM 25750 O WAT X7888 55.913 52.239 13.364 0.00 0.00 +ATOM 25751 H1 WAT X7888 56.174 51.833 14.191 0.00 0.00 +ATOM 25752 H2 WAT X7888 54.985 52.443 13.480 0.00 0.00 +ATOM 25753 O WAT X7889 78.069 52.171 35.009 0.00 0.00 +ATOM 25754 H1 WAT X7889 77.986 51.964 34.078 0.00 0.00 +ATOM 25755 H2 WAT X7889 77.198 52.472 35.266 0.00 0.00 +ATOM 25756 O WAT X7890 0.456 14.351 27.975 0.00 0.00 +ATOM 25757 H1 WAT X7890 0.503 15.253 27.658 0.00 0.00 +ATOM 25758 H2 WAT X7890 1.119 13.884 27.467 0.00 0.00 +ATOM 25759 O WAT X7891 70.052 47.270 17.250 0.00 0.00 +ATOM 25760 H1 WAT X7891 70.160 48.183 16.981 0.00 0.00 +ATOM 25761 H2 WAT X7891 69.331 46.946 16.711 0.00 0.00 +ATOM 25762 O WAT X7892 63.106 56.283 26.887 0.00 0.00 +ATOM 25763 H1 WAT X7892 62.268 56.041 26.493 0.00 0.00 +ATOM 25764 H2 WAT X7892 63.655 55.507 26.776 0.00 0.00 +ATOM 25765 O WAT X7893 64.797 47.566 39.516 0.00 0.00 +ATOM 25766 H1 WAT X7893 65.069 46.941 38.844 0.00 0.00 +ATOM 25767 H2 WAT X7893 64.493 48.329 39.024 0.00 0.00 +ATOM 25768 O WAT X7894 71.934 46.022 30.752 0.00 0.00 +ATOM 25769 H1 WAT X7894 72.224 46.775 30.237 0.00 0.00 +ATOM 25770 H2 WAT X7894 71.797 45.328 30.106 0.00 0.00 +ATOM 25771 O WAT X7895 43.675 42.701 10.132 0.00 0.00 +ATOM 25772 H1 WAT X7895 43.963 42.010 9.536 0.00 0.00 +ATOM 25773 H2 WAT X7895 44.484 43.136 10.402 0.00 0.00 +ATOM 25774 O WAT X7896 55.031 33.225 47.686 0.00 0.00 +ATOM 25775 H1 WAT X7896 55.283 32.666 46.951 0.00 0.00 +ATOM 25776 H2 WAT X7896 55.395 34.084 47.470 0.00 0.00 +ATOM 25777 O WAT X7897 44.282 43.999 17.144 0.00 0.00 +ATOM 25778 H1 WAT X7897 45.015 44.445 16.720 0.00 0.00 +ATOM 25779 H2 WAT X7897 43.875 44.672 17.689 0.00 0.00 +ATOM 25780 O WAT X7898 75.015 11.481 11.596 0.00 0.00 +ATOM 25781 H1 WAT X7898 74.618 10.978 12.306 0.00 0.00 +ATOM 25782 H2 WAT X7898 75.569 10.851 11.136 0.00 0.00 +ATOM 25783 O WAT X7899 25.760 17.376 39.254 0.00 0.00 +ATOM 25784 H1 WAT X7899 25.474 17.410 38.341 0.00 0.00 +ATOM 25785 H2 WAT X7899 25.535 18.236 39.607 0.00 0.00 +ATOM 25786 O WAT X7900 74.582 38.238 37.429 0.00 0.00 +ATOM 25787 H1 WAT X7900 75.235 38.811 37.028 0.00 0.00 +ATOM 25788 H2 WAT X7900 73.781 38.761 37.444 0.00 0.00 +ATOM 25789 O WAT X7901 59.116 39.551 12.534 0.00 0.00 +ATOM 25790 H1 WAT X7901 58.755 40.288 12.040 0.00 0.00 +ATOM 25791 H2 WAT X7901 59.623 39.057 11.890 0.00 0.00 +ATOM 25792 O WAT X7902 43.935 44.139 20.732 0.00 0.00 +ATOM 25793 H1 WAT X7902 44.112 44.726 21.467 0.00 0.00 +ATOM 25794 H2 WAT X7902 44.575 44.390 20.066 0.00 0.00 +ATOM 25795 O WAT X7903 36.788 33.560 3.625 0.00 0.00 +ATOM 25796 H1 WAT X7903 37.176 33.111 2.875 0.00 0.00 +ATOM 25797 H2 WAT X7903 35.873 33.278 3.626 0.00 0.00 +ATOM 25798 O WAT X7904 53.436 4.521 26.969 0.00 0.00 +ATOM 25799 H1 WAT X7904 53.887 4.323 27.790 0.00 0.00 +ATOM 25800 H2 WAT X7904 53.134 5.423 27.073 0.00 0.00 +ATOM 25801 O WAT X7905 10.121 26.699 2.905 0.00 0.00 +ATOM 25802 H1 WAT X7905 9.202 26.843 2.682 0.00 0.00 +ATOM 25803 H2 WAT X7905 10.562 26.611 2.060 0.00 0.00 +ATOM 25804 O WAT X7906 56.747 62.451 9.649 0.00 0.00 +ATOM 25805 H1 WAT X7906 56.492 61.948 10.422 0.00 0.00 +ATOM 25806 H2 WAT X7906 56.020 63.058 9.508 0.00 0.00 +ATOM 25807 O WAT X7907 72.820 45.141 16.105 0.00 0.00 +ATOM 25808 H1 WAT X7907 73.674 44.785 16.351 0.00 0.00 +ATOM 25809 H2 WAT X7907 72.295 45.073 16.903 0.00 0.00 +ATOM 25810 O WAT X7908 6.341 33.133 25.542 0.00 0.00 +ATOM 25811 H1 WAT X7908 5.519 32.646 25.595 0.00 0.00 +ATOM 25812 H2 WAT X7908 6.930 32.559 25.052 0.00 0.00 +ATOM 25813 O WAT X7909 16.722 0.938 41.824 0.00 0.00 +ATOM 25814 H1 WAT X7909 15.976 0.358 41.670 0.00 0.00 +ATOM 25815 H2 WAT X7909 16.589 1.270 42.712 0.00 0.00 +ATOM 25816 O WAT X7910 61.219 15.911 22.248 0.00 0.00 +ATOM 25817 H1 WAT X7910 61.478 16.041 23.160 0.00 0.00 +ATOM 25818 H2 WAT X7910 60.263 15.958 22.261 0.00 0.00 +ATOM 25819 O WAT X7911 71.798 0.699 7.522 0.00 0.00 +ATOM 25820 H1 WAT X7911 72.520 0.855 8.131 0.00 0.00 +ATOM 25821 H2 WAT X7911 72.080 1.112 6.706 0.00 0.00 +ATOM 25822 O WAT X7912 44.443 6.000 39.621 0.00 0.00 +ATOM 25823 H1 WAT X7912 43.856 5.520 39.037 0.00 0.00 +ATOM 25824 H2 WAT X7912 44.771 5.337 40.228 0.00 0.00 +ATOM 25825 O WAT X7913 32.654 39.070 50.311 0.00 0.00 +ATOM 25826 H1 WAT X7913 31.774 39.001 50.683 0.00 0.00 +ATOM 25827 H2 WAT X7913 32.847 40.008 50.325 0.00 0.00 +ATOM 25828 O WAT X7914 13.393 40.931 22.931 0.00 0.00 +ATOM 25829 H1 WAT X7914 14.148 40.343 22.947 0.00 0.00 +ATOM 25830 H2 WAT X7914 13.003 40.797 22.067 0.00 0.00 +ATOM 25831 O WAT X7915 71.943 26.688 33.946 0.00 0.00 +ATOM 25832 H1 WAT X7915 71.660 25.998 34.545 0.00 0.00 +ATOM 25833 H2 WAT X7915 72.198 27.412 34.518 0.00 0.00 +ATOM 25834 O WAT X7916 20.544 60.578 4.710 0.00 0.00 +ATOM 25835 H1 WAT X7916 21.417 60.198 4.607 0.00 0.00 +ATOM 25836 H2 WAT X7916 20.645 61.225 5.408 0.00 0.00 +ATOM 25837 O WAT X7917 51.533 19.875 48.772 0.00 0.00 +ATOM 25838 H1 WAT X7917 51.062 20.330 49.470 0.00 0.00 +ATOM 25839 H2 WAT X7917 51.344 20.384 47.984 0.00 0.00 +ATOM 25840 O WAT X7918 59.884 12.339 34.400 0.00 0.00 +ATOM 25841 H1 WAT X7918 60.210 11.621 34.942 0.00 0.00 +ATOM 25842 H2 WAT X7918 59.707 11.937 33.550 0.00 0.00 +ATOM 25843 O WAT X7919 25.811 51.561 35.553 0.00 0.00 +ATOM 25844 H1 WAT X7919 25.092 51.168 35.059 0.00 0.00 +ATOM 25845 H2 WAT X7919 25.424 51.791 36.397 0.00 0.00 +ATOM 25846 O WAT X7920 35.037 27.352 3.894 0.00 0.00 +ATOM 25847 H1 WAT X7920 35.162 26.617 4.494 0.00 0.00 +ATOM 25848 H2 WAT X7920 34.121 27.287 3.623 0.00 0.00 +ATOM 25849 O WAT X7921 5.321 46.517 43.742 0.00 0.00 +ATOM 25850 H1 WAT X7921 5.088 45.760 43.204 0.00 0.00 +ATOM 25851 H2 WAT X7921 6.188 46.307 44.089 0.00 0.00 +ATOM 25852 O WAT X7922 65.718 38.830 24.205 0.00 0.00 +ATOM 25853 H1 WAT X7922 66.121 38.310 23.511 0.00 0.00 +ATOM 25854 H2 WAT X7922 66.349 38.799 24.925 0.00 0.00 +ATOM 25855 O WAT X7923 68.169 29.878 5.248 0.00 0.00 +ATOM 25856 H1 WAT X7923 68.340 29.208 4.586 0.00 0.00 +ATOM 25857 H2 WAT X7923 68.867 29.761 5.892 0.00 0.00 +ATOM 25858 O WAT X7924 55.241 48.188 19.493 0.00 0.00 +ATOM 25859 H1 WAT X7924 55.655 47.653 20.171 0.00 0.00 +ATOM 25860 H2 WAT X7924 54.305 48.019 19.594 0.00 0.00 +ATOM 25861 O WAT X7925 68.799 60.379 17.201 0.00 0.00 +ATOM 25862 H1 WAT X7925 69.207 60.887 16.500 0.00 0.00 +ATOM 25863 H2 WAT X7925 68.743 60.989 17.937 0.00 0.00 +ATOM 25864 O WAT X7926 64.176 10.183 18.441 0.00 0.00 +ATOM 25865 H1 WAT X7926 63.775 10.001 19.291 0.00 0.00 +ATOM 25866 H2 WAT X7926 64.217 11.138 18.395 0.00 0.00 +ATOM 25867 O WAT X7927 11.440 34.102 36.090 0.00 0.00 +ATOM 25868 H1 WAT X7927 11.340 34.766 36.772 0.00 0.00 +ATOM 25869 H2 WAT X7927 11.308 33.270 36.544 0.00 0.00 +ATOM 25870 O WAT X7928 18.110 52.849 54.098 0.00 0.00 +ATOM 25871 H1 WAT X7928 18.711 53.023 53.374 0.00 0.00 +ATOM 25872 H2 WAT X7928 17.740 53.705 54.314 0.00 0.00 +ATOM 25873 O WAT X7929 54.970 17.456 33.845 0.00 0.00 +ATOM 25874 H1 WAT X7929 54.909 16.956 33.032 0.00 0.00 +ATOM 25875 H2 WAT X7929 55.839 17.857 33.816 0.00 0.00 +ATOM 25876 O WAT X7930 2.786 21.337 38.126 0.00 0.00 +ATOM 25877 H1 WAT X7930 3.248 22.158 38.298 0.00 0.00 +ATOM 25878 H2 WAT X7930 2.877 20.837 38.937 0.00 0.00 +ATOM 25879 O WAT X7931 17.772 13.079 38.161 0.00 0.00 +ATOM 25880 H1 WAT X7931 18.178 12.755 38.965 0.00 0.00 +ATOM 25881 H2 WAT X7931 18.453 12.986 37.495 0.00 0.00 +ATOM 25882 O WAT X7932 23.931 50.823 7.144 0.00 0.00 +ATOM 25883 H1 WAT X7932 24.635 50.201 6.961 0.00 0.00 +ATOM 25884 H2 WAT X7932 23.702 51.184 6.288 0.00 0.00 +ATOM 25885 O WAT X7933 21.974 29.157 12.616 0.00 0.00 +ATOM 25886 H1 WAT X7933 22.706 28.595 12.869 0.00 0.00 +ATOM 25887 H2 WAT X7933 22.352 30.036 12.572 0.00 0.00 +ATOM 25888 O WAT X7934 49.989 25.776 54.751 0.00 0.00 +ATOM 25889 H1 WAT X7934 50.096 24.966 55.249 0.00 0.00 +ATOM 25890 H2 WAT X7934 49.091 25.739 54.423 0.00 0.00 +ATOM 25891 O WAT X7935 53.365 5.279 5.084 0.00 0.00 +ATOM 25892 H1 WAT X7935 53.788 5.943 4.539 0.00 0.00 +ATOM 25893 H2 WAT X7935 53.467 4.464 4.593 0.00 0.00 +ATOM 25894 O WAT X7936 9.007 49.999 34.046 0.00 0.00 +ATOM 25895 H1 WAT X7936 8.546 49.166 34.143 0.00 0.00 +ATOM 25896 H2 WAT X7936 8.517 50.467 33.370 0.00 0.00 +ATOM 25897 O WAT X7937 9.803 45.432 12.724 0.00 0.00 +ATOM 25898 H1 WAT X7937 10.230 45.154 11.913 0.00 0.00 +ATOM 25899 H2 WAT X7937 9.746 46.385 12.650 0.00 0.00 +ATOM 25900 O WAT X7938 62.812 22.484 38.489 0.00 0.00 +ATOM 25901 H1 WAT X7938 62.712 22.199 39.397 0.00 0.00 +ATOM 25902 H2 WAT X7938 63.079 21.695 38.018 0.00 0.00 +ATOM 25903 O WAT X7939 18.771 10.247 0.572 0.00 0.00 +ATOM 25904 H1 WAT X7939 18.156 9.608 0.214 0.00 0.00 +ATOM 25905 H2 WAT X7939 18.871 9.996 1.490 0.00 0.00 +ATOM 25906 O WAT X7940 50.186 20.592 29.228 0.00 0.00 +ATOM 25907 H1 WAT X7940 50.232 19.993 28.482 0.00 0.00 +ATOM 25908 H2 WAT X7940 49.306 20.965 29.182 0.00 0.00 +ATOM 25909 O WAT X7941 75.293 33.829 2.142 0.00 0.00 +ATOM 25910 H1 WAT X7941 74.847 33.019 2.390 0.00 0.00 +ATOM 25911 H2 WAT X7941 74.888 34.503 2.689 0.00 0.00 +ATOM 25912 O WAT X7942 75.145 39.434 42.128 0.00 0.00 +ATOM 25913 H1 WAT X7942 74.881 39.071 42.973 0.00 0.00 +ATOM 25914 H2 WAT X7942 75.230 38.672 41.556 0.00 0.00 +ATOM 25915 O WAT X7943 12.137 32.519 46.354 0.00 0.00 +ATOM 25916 H1 WAT X7943 11.777 31.748 45.915 0.00 0.00 +ATOM 25917 H2 WAT X7943 12.844 32.813 45.779 0.00 0.00 +ATOM 25918 O WAT X7944 56.378 37.191 2.020 0.00 0.00 +ATOM 25919 H1 WAT X7944 55.426 37.102 2.069 0.00 0.00 +ATOM 25920 H2 WAT X7944 56.571 37.983 2.521 0.00 0.00 +ATOM 25921 O WAT X7945 46.184 35.879 5.106 0.00 0.00 +ATOM 25922 H1 WAT X7945 46.412 35.860 4.177 0.00 0.00 +ATOM 25923 H2 WAT X7945 46.440 35.017 5.434 0.00 0.00 +ATOM 25924 O WAT X7946 35.664 14.349 17.892 0.00 0.00 +ATOM 25925 H1 WAT X7946 36.083 13.821 18.572 0.00 0.00 +ATOM 25926 H2 WAT X7946 36.233 15.113 17.798 0.00 0.00 +ATOM 25927 O WAT X7947 51.981 32.210 7.861 0.00 0.00 +ATOM 25928 H1 WAT X7947 51.708 33.079 7.565 0.00 0.00 +ATOM 25929 H2 WAT X7947 52.925 32.290 8.001 0.00 0.00 +ATOM 25930 O WAT X7948 11.729 44.513 28.143 0.00 0.00 +ATOM 25931 H1 WAT X7948 11.584 44.514 27.197 0.00 0.00 +ATOM 25932 H2 WAT X7948 12.457 45.121 28.273 0.00 0.00 +ATOM 25933 O WAT X7949 76.981 35.166 49.105 0.00 0.00 +ATOM 25934 H1 WAT X7949 76.785 35.654 48.304 0.00 0.00 +ATOM 25935 H2 WAT X7949 77.569 34.467 48.821 0.00 0.00 +ATOM 25936 O WAT X7950 3.203 32.622 14.653 0.00 0.00 +ATOM 25937 H1 WAT X7950 3.666 31.924 15.117 0.00 0.00 +ATOM 25938 H2 WAT X7950 3.524 32.567 13.753 0.00 0.00 +ATOM 25939 O WAT X7951 17.978 13.848 32.949 0.00 0.00 +ATOM 25940 H1 WAT X7951 17.998 14.391 33.737 0.00 0.00 +ATOM 25941 H2 WAT X7951 18.139 14.462 32.232 0.00 0.00 +ATOM 25942 O WAT X7952 8.346 46.735 31.758 0.00 0.00 +ATOM 25943 H1 WAT X7952 8.657 45.952 32.212 0.00 0.00 +ATOM 25944 H2 WAT X7952 7.696 47.113 32.350 0.00 0.00 +ATOM 25945 O WAT X7953 15.022 9.135 2.664 0.00 0.00 +ATOM 25946 H1 WAT X7953 15.689 9.070 1.981 0.00 0.00 +ATOM 25947 H2 WAT X7953 14.299 8.594 2.346 0.00 0.00 +ATOM 25948 O WAT X7954 13.785 44.898 49.745 0.00 0.00 +ATOM 25949 H1 WAT X7954 12.868 44.700 49.552 0.00 0.00 +ATOM 25950 H2 WAT X7954 13.831 44.916 50.700 0.00 0.00 +ATOM 25951 O WAT X7955 27.113 5.378 16.077 0.00 0.00 +ATOM 25952 H1 WAT X7955 28.068 5.400 16.021 0.00 0.00 +ATOM 25953 H2 WAT X7955 26.921 4.601 16.602 0.00 0.00 +ATOM 25954 O WAT X7956 53.606 38.063 8.250 0.00 0.00 +ATOM 25955 H1 WAT X7956 54.245 38.774 8.308 0.00 0.00 +ATOM 25956 H2 WAT X7956 52.968 38.257 8.937 0.00 0.00 +ATOM 25957 O WAT X7957 49.324 27.217 48.604 0.00 0.00 +ATOM 25958 H1 WAT X7957 48.440 27.472 48.340 0.00 0.00 +ATOM 25959 H2 WAT X7957 49.617 26.623 47.913 0.00 0.00 +ATOM 25960 O WAT X7958 75.358 5.439 20.889 0.00 0.00 +ATOM 25961 H1 WAT X7958 74.798 6.207 20.776 0.00 0.00 +ATOM 25962 H2 WAT X7958 75.208 5.165 21.794 0.00 0.00 +ATOM 25963 O WAT X7959 64.850 12.361 44.775 0.00 0.00 +ATOM 25964 H1 WAT X7959 64.960 11.768 44.031 0.00 0.00 +ATOM 25965 H2 WAT X7959 64.063 12.045 45.219 0.00 0.00 +ATOM 25966 O WAT X7960 1.579 4.454 30.028 0.00 0.00 +ATOM 25967 H1 WAT X7960 2.352 3.920 29.846 0.00 0.00 +ATOM 25968 H2 WAT X7960 1.856 5.048 30.726 0.00 0.00 +ATOM 25969 O WAT X7961 52.279 1.538 3.357 0.00 0.00 +ATOM 25970 H1 WAT X7961 52.733 0.841 2.884 0.00 0.00 +ATOM 25971 H2 WAT X7961 52.978 2.030 3.787 0.00 0.00 +ATOM 25972 O WAT X7962 66.064 16.377 26.372 0.00 0.00 +ATOM 25973 H1 WAT X7962 66.270 15.866 25.590 0.00 0.00 +ATOM 25974 H2 WAT X7962 66.118 15.748 27.091 0.00 0.00 +ATOM 25975 O WAT X7963 70.443 53.466 46.002 0.00 0.00 +ATOM 25976 H1 WAT X7963 70.772 52.946 45.269 0.00 0.00 +ATOM 25977 H2 WAT X7963 69.890 52.860 46.496 0.00 0.00 +ATOM 25978 O WAT X7964 66.889 35.328 55.933 0.00 0.00 +ATOM 25979 H1 WAT X7964 67.707 35.513 56.393 0.00 0.00 +ATOM 25980 H2 WAT X7964 66.373 34.818 56.558 0.00 0.00 +ATOM 25981 O WAT X7965 9.811 57.562 26.669 0.00 0.00 +ATOM 25982 H1 WAT X7965 10.548 57.290 27.216 0.00 0.00 +ATOM 25983 H2 WAT X7965 9.981 58.484 26.479 0.00 0.00 +ATOM 25984 O WAT X7966 42.420 3.986 32.783 0.00 0.00 +ATOM 25985 H1 WAT X7966 41.977 3.235 32.389 0.00 0.00 +ATOM 25986 H2 WAT X7966 43.345 3.742 32.791 0.00 0.00 +ATOM 25987 O WAT X7967 57.738 25.456 54.486 0.00 0.00 +ATOM 25988 H1 WAT X7967 58.413 24.982 54.001 0.00 0.00 +ATOM 25989 H2 WAT X7967 57.889 26.376 54.272 0.00 0.00 +ATOM 25990 O WAT X7968 2.923 62.179 9.283 0.00 0.00 +ATOM 25991 H1 WAT X7968 3.007 62.746 8.517 0.00 0.00 +ATOM 25992 H2 WAT X7968 2.910 62.782 10.027 0.00 0.00 +ATOM 25993 O WAT X7969 57.571 42.993 46.086 0.00 0.00 +ATOM 25994 H1 WAT X7969 57.298 43.660 46.716 0.00 0.00 +ATOM 25995 H2 WAT X7969 56.755 42.578 45.808 0.00 0.00 +ATOM 25996 O WAT X7970 32.871 47.792 45.722 0.00 0.00 +ATOM 25997 H1 WAT X7970 33.519 48.195 46.300 0.00 0.00 +ATOM 25998 H2 WAT X7970 33.249 47.871 44.846 0.00 0.00 +ATOM 25999 O WAT X7971 41.591 3.751 40.397 0.00 0.00 +ATOM 26000 H1 WAT X7971 41.458 3.691 39.451 0.00 0.00 +ATOM 26001 H2 WAT X7971 41.884 2.876 40.653 0.00 0.00 +ATOM 26002 O WAT X7972 2.112 34.197 33.992 0.00 0.00 +ATOM 26003 H1 WAT X7972 2.337 35.089 33.729 0.00 0.00 +ATOM 26004 H2 WAT X7972 1.162 34.148 33.885 0.00 0.00 +ATOM 26005 O WAT X7973 14.153 52.624 47.452 0.00 0.00 +ATOM 26006 H1 WAT X7973 14.390 52.501 46.533 0.00 0.00 +ATOM 26007 H2 WAT X7973 14.931 53.015 47.849 0.00 0.00 +ATOM 26008 O WAT X7974 5.073 7.352 4.326 0.00 0.00 +ATOM 26009 H1 WAT X7974 5.576 7.710 3.595 0.00 0.00 +ATOM 26010 H2 WAT X7974 4.162 7.553 4.112 0.00 0.00 +ATOM 26011 O WAT X7975 61.942 42.059 5.903 0.00 0.00 +ATOM 26012 H1 WAT X7975 61.005 42.196 5.765 0.00 0.00 +ATOM 26013 H2 WAT X7975 61.988 41.355 6.550 0.00 0.00 +ATOM 26014 O WAT X7976 64.113 49.957 17.982 0.00 0.00 +ATOM 26015 H1 WAT X7976 64.799 50.115 18.631 0.00 0.00 +ATOM 26016 H2 WAT X7976 64.522 50.173 17.144 0.00 0.00 +ATOM 26017 O WAT X7977 6.849 36.047 52.726 0.00 0.00 +ATOM 26018 H1 WAT X7977 7.264 36.555 53.423 0.00 0.00 +ATOM 26019 H2 WAT X7977 5.923 36.285 52.775 0.00 0.00 +ATOM 26020 O WAT X7978 53.197 59.162 32.319 0.00 0.00 +ATOM 26021 H1 WAT X7978 52.287 59.174 32.616 0.00 0.00 +ATOM 26022 H2 WAT X7978 53.305 58.302 31.911 0.00 0.00 +ATOM 26023 O WAT X7979 50.916 39.542 5.060 0.00 0.00 +ATOM 26024 H1 WAT X7979 50.286 40.131 5.474 0.00 0.00 +ATOM 26025 H2 WAT X7979 51.757 39.991 5.147 0.00 0.00 +ATOM 26026 O WAT X7980 35.532 15.263 37.228 0.00 0.00 +ATOM 26027 H1 WAT X7980 35.815 14.957 38.090 0.00 0.00 +ATOM 26028 H2 WAT X7980 35.563 16.218 37.291 0.00 0.00 +ATOM 26029 O WAT X7981 69.495 19.774 24.348 0.00 0.00 +ATOM 26030 H1 WAT X7981 69.253 20.447 23.711 0.00 0.00 +ATOM 26031 H2 WAT X7981 69.468 20.222 25.193 0.00 0.00 +ATOM 26032 O WAT X7982 55.657 61.068 11.912 0.00 0.00 +ATOM 26033 H1 WAT X7982 55.832 61.286 12.827 0.00 0.00 +ATOM 26034 H2 WAT X7982 55.457 60.132 11.923 0.00 0.00 +ATOM 26035 O WAT X7983 30.274 46.525 6.256 0.00 0.00 +ATOM 26036 H1 WAT X7983 30.536 46.814 7.130 0.00 0.00 +ATOM 26037 H2 WAT X7983 30.663 47.170 5.664 0.00 0.00 +ATOM 26038 O WAT X7984 25.141 11.585 5.068 0.00 0.00 +ATOM 26039 H1 WAT X7984 25.250 11.938 5.951 0.00 0.00 +ATOM 26040 H2 WAT X7984 25.955 11.111 4.898 0.00 0.00 +ATOM 26041 O WAT X7985 64.446 41.179 25.450 0.00 0.00 +ATOM 26042 H1 WAT X7985 65.283 41.573 25.700 0.00 0.00 +ATOM 26043 H2 WAT X7985 64.688 40.418 24.923 0.00 0.00 +ATOM 26044 O WAT X7986 58.425 61.907 0.576 0.00 0.00 +ATOM 26045 H1 WAT X7986 58.791 62.553 1.180 0.00 0.00 +ATOM 26046 H2 WAT X7986 58.664 61.061 0.956 0.00 0.00 +ATOM 26047 O WAT X7987 0.956 33.460 57.310 0.00 0.00 +ATOM 26048 H1 WAT X7987 0.473 32.656 57.504 0.00 0.00 +ATOM 26049 H2 WAT X7987 1.876 33.217 57.408 0.00 0.00 +ATOM 26050 O WAT X7988 46.607 28.327 4.515 0.00 0.00 +ATOM 26051 H1 WAT X7988 46.869 27.503 4.926 0.00 0.00 +ATOM 26052 H2 WAT X7988 45.701 28.458 4.797 0.00 0.00 +ATOM 26053 O WAT X7989 51.525 21.552 8.816 0.00 0.00 +ATOM 26054 H1 WAT X7989 51.776 22.379 8.404 0.00 0.00 +ATOM 26055 H2 WAT X7989 51.410 20.946 8.084 0.00 0.00 +ATOM 26056 O WAT X7990 59.187 53.615 40.237 0.00 0.00 +ATOM 26057 H1 WAT X7990 58.486 53.407 40.855 0.00 0.00 +ATOM 26058 H2 WAT X7990 59.680 54.318 40.661 0.00 0.00 +ATOM 26059 O WAT X7991 15.384 5.238 19.880 0.00 0.00 +ATOM 26060 H1 WAT X7991 15.951 4.977 20.605 0.00 0.00 +ATOM 26061 H2 WAT X7991 15.972 5.300 19.127 0.00 0.00 +ATOM 26062 O WAT X7992 47.175 34.856 55.493 0.00 0.00 +ATOM 26063 H1 WAT X7992 46.526 35.082 54.828 0.00 0.00 +ATOM 26064 H2 WAT X7992 47.522 34.009 55.211 0.00 0.00 +ATOM 26065 O WAT X7993 21.132 59.525 38.861 0.00 0.00 +ATOM 26066 H1 WAT X7993 21.394 59.661 37.950 0.00 0.00 +ATOM 26067 H2 WAT X7993 21.610 60.195 39.349 0.00 0.00 +ATOM 26068 O WAT X7994 19.493 54.214 24.949 0.00 0.00 +ATOM 26069 H1 WAT X7994 19.159 55.056 25.259 0.00 0.00 +ATOM 26070 H2 WAT X7994 19.579 54.325 24.002 0.00 0.00 +ATOM 26071 O WAT X7995 2.555 56.169 24.616 0.00 0.00 +ATOM 26072 H1 WAT X7995 3.284 55.856 25.150 0.00 0.00 +ATOM 26073 H2 WAT X7995 2.735 57.100 24.485 0.00 0.00 +ATOM 26074 O WAT X7996 25.647 36.774 52.416 0.00 0.00 +ATOM 26075 H1 WAT X7996 24.869 36.228 52.527 0.00 0.00 +ATOM 26076 H2 WAT X7996 26.188 36.297 51.786 0.00 0.00 +ATOM 26077 O WAT X7997 11.783 37.591 27.158 0.00 0.00 +ATOM 26078 H1 WAT X7997 10.981 37.898 27.582 0.00 0.00 +ATOM 26079 H2 WAT X7997 12.100 38.350 26.668 0.00 0.00 +ATOM 26080 O WAT X7998 5.459 35.073 19.774 0.00 0.00 +ATOM 26081 H1 WAT X7998 6.096 34.359 19.789 0.00 0.00 +ATOM 26082 H2 WAT X7998 4.741 34.742 19.235 0.00 0.00 +ATOM 26083 O WAT X7999 55.437 24.696 53.126 0.00 0.00 +ATOM 26084 H1 WAT X7999 56.228 25.105 53.477 0.00 0.00 +ATOM 26085 H2 WAT X7999 55.143 25.293 52.438 0.00 0.00 +ATOM 26086 O WAT X8000 72.156 26.931 3.241 0.00 0.00 +ATOM 26087 H1 WAT X8000 72.236 26.546 2.368 0.00 0.00 +ATOM 26088 H2 WAT X8000 71.937 27.849 3.078 0.00 0.00 +ATOM 26089 O WAT X8001 61.572 1.794 15.434 0.00 0.00 +ATOM 26090 H1 WAT X8001 61.132 2.489 14.945 0.00 0.00 +ATOM 26091 H2 WAT X8001 62.076 2.255 16.105 0.00 0.00 +ATOM 26092 O WAT X8002 24.334 12.355 47.083 0.00 0.00 +ATOM 26093 H1 WAT X8002 24.092 12.247 48.003 0.00 0.00 +ATOM 26094 H2 WAT X8002 25.254 12.092 47.046 0.00 0.00 +ATOM 26095 O WAT X8003 66.350 35.869 18.072 0.00 0.00 +ATOM 26096 H1 WAT X8003 66.200 35.088 17.538 0.00 0.00 +ATOM 26097 H2 WAT X8003 66.056 36.595 17.522 0.00 0.00 +ATOM 26098 O WAT X8004 59.466 17.181 49.680 0.00 0.00 +ATOM 26099 H1 WAT X8004 58.600 16.925 49.999 0.00 0.00 +ATOM 26100 H2 WAT X8004 59.441 16.993 48.742 0.00 0.00 +ATOM 26101 O WAT X8005 15.611 6.901 3.937 0.00 0.00 +ATOM 26102 H1 WAT X8005 15.641 7.703 3.416 0.00 0.00 +ATOM 26103 H2 WAT X8005 16.080 6.255 3.409 0.00 0.00 +ATOM 26104 O WAT X8006 62.325 16.093 47.053 0.00 0.00 +ATOM 26105 H1 WAT X8006 62.113 16.847 46.503 0.00 0.00 +ATOM 26106 H2 WAT X8006 61.490 15.843 47.449 0.00 0.00 +ATOM 26107 O WAT X8007 36.051 3.243 44.540 0.00 0.00 +ATOM 26108 H1 WAT X8007 36.734 3.118 45.199 0.00 0.00 +ATOM 26109 H2 WAT X8007 35.276 3.493 45.043 0.00 0.00 +ATOM 26110 O WAT X8008 65.459 38.602 50.252 0.00 0.00 +ATOM 26111 H1 WAT X8008 65.544 37.734 50.647 0.00 0.00 +ATOM 26112 H2 WAT X8008 65.842 38.507 49.380 0.00 0.00 +ATOM 26113 O WAT X8009 68.292 20.711 35.653 0.00 0.00 +ATOM 26114 H1 WAT X8009 69.113 20.710 35.160 0.00 0.00 +ATOM 26115 H2 WAT X8009 67.714 20.131 35.157 0.00 0.00 +ATOM 26116 O WAT X8010 19.016 20.115 56.251 0.00 0.00 +ATOM 26117 H1 WAT X8010 19.247 19.617 55.467 0.00 0.00 +ATOM 26118 H2 WAT X8010 18.541 19.491 56.800 0.00 0.00 +ATOM 26119 O WAT X8011 57.354 9.041 31.516 0.00 0.00 +ATOM 26120 H1 WAT X8011 58.189 9.367 31.180 0.00 0.00 +ATOM 26121 H2 WAT X8011 57.470 8.092 31.564 0.00 0.00 +ATOM 26122 O WAT X8012 33.526 45.404 43.032 0.00 0.00 +ATOM 26123 H1 WAT X8012 34.358 45.367 43.504 0.00 0.00 +ATOM 26124 H2 WAT X8012 32.918 45.808 43.651 0.00 0.00 +ATOM 26125 O WAT X8013 70.276 6.051 56.208 0.00 0.00 +ATOM 26126 H1 WAT X8013 70.620 6.855 55.818 0.00 0.00 +ATOM 26127 H2 WAT X8013 69.991 5.526 55.461 0.00 0.00 +ATOM 26128 O WAT X8014 62.151 43.022 11.449 0.00 0.00 +ATOM 26129 H1 WAT X8014 62.375 42.380 10.775 0.00 0.00 +ATOM 26130 H2 WAT X8014 61.249 43.273 11.250 0.00 0.00 +ATOM 26131 O WAT X8015 19.777 47.810 -0.134 0.00 0.00 +ATOM 26132 H1 WAT X8015 20.697 48.009 0.039 0.00 0.00 +ATOM 26133 H2 WAT X8015 19.449 47.458 0.693 0.00 0.00 +ATOM 26134 O WAT X8016 34.267 22.215 0.497 0.00 0.00 +ATOM 26135 H1 WAT X8016 33.902 21.675 -0.205 0.00 0.00 +ATOM 26136 H2 WAT X8016 34.433 21.600 1.211 0.00 0.00 +ATOM 26137 O WAT X8017 32.509 6.096 26.278 0.00 0.00 +ATOM 26138 H1 WAT X8017 32.456 7.049 26.345 0.00 0.00 +ATOM 26139 H2 WAT X8017 31.802 5.777 26.839 0.00 0.00 +ATOM 26140 O WAT X8018 48.774 5.170 0.388 0.00 0.00 +ATOM 26141 H1 WAT X8018 47.978 5.004 0.893 0.00 0.00 +ATOM 26142 H2 WAT X8018 49.431 4.594 0.780 0.00 0.00 +ATOM 26143 O WAT X8019 13.599 30.189 48.900 0.00 0.00 +ATOM 26144 H1 WAT X8019 13.866 29.588 48.204 0.00 0.00 +ATOM 26145 H2 WAT X8019 14.339 30.789 48.995 0.00 0.00 +ATOM 26146 O WAT X8020 33.931 42.875 46.123 0.00 0.00 +ATOM 26147 H1 WAT X8020 34.400 43.675 45.886 0.00 0.00 +ATOM 26148 H2 WAT X8020 34.622 42.241 46.316 0.00 0.00 +ATOM 26149 O WAT X8021 7.639 38.676 28.939 0.00 0.00 +ATOM 26150 H1 WAT X8021 7.585 38.087 29.692 0.00 0.00 +ATOM 26151 H2 WAT X8021 6.727 38.848 28.703 0.00 0.00 +ATOM 26152 O WAT X8022 2.353 37.389 18.060 0.00 0.00 +ATOM 26153 H1 WAT X8022 2.641 37.600 17.172 0.00 0.00 +ATOM 26154 H2 WAT X8022 1.648 38.012 18.238 0.00 0.00 +ATOM 26155 O WAT X8023 20.616 1.980 50.651 0.00 0.00 +ATOM 26156 H1 WAT X8023 19.772 1.875 51.089 0.00 0.00 +ATOM 26157 H2 WAT X8023 20.689 2.921 50.492 0.00 0.00 +ATOM 26158 O WAT X8024 25.674 47.865 25.463 0.00 0.00 +ATOM 26159 H1 WAT X8024 26.347 48.004 26.129 0.00 0.00 +ATOM 26160 H2 WAT X8024 25.558 46.915 25.433 0.00 0.00 +ATOM 26161 O WAT X8025 10.095 0.325 7.578 0.00 0.00 +ATOM 26162 H1 WAT X8025 10.925 0.734 7.822 0.00 0.00 +ATOM 26163 H2 WAT X8025 9.479 1.055 7.510 0.00 0.00 +ATOM 26164 O WAT X8026 12.542 29.873 29.883 0.00 0.00 +ATOM 26165 H1 WAT X8026 12.954 29.609 29.060 0.00 0.00 +ATOM 26166 H2 WAT X8026 12.718 30.812 29.948 0.00 0.00 +ATOM 26167 O WAT X8027 40.357 6.274 17.219 0.00 0.00 +ATOM 26168 H1 WAT X8027 39.765 5.674 17.673 0.00 0.00 +ATOM 26169 H2 WAT X8027 39.894 7.112 17.217 0.00 0.00 +ATOM 26170 O WAT X8028 16.970 14.097 24.138 0.00 0.00 +ATOM 26171 H1 WAT X8028 17.208 13.929 23.226 0.00 0.00 +ATOM 26172 H2 WAT X8028 17.776 13.939 24.629 0.00 0.00 +ATOM 26173 O WAT X8029 43.379 63.015 36.534 0.00 0.00 +ATOM 26174 H1 WAT X8029 42.860 62.366 36.059 0.00 0.00 +ATOM 26175 H2 WAT X8029 43.212 62.826 37.458 0.00 0.00 +ATOM 26176 O WAT X8030 68.150 3.478 47.909 0.00 0.00 +ATOM 26177 H1 WAT X8030 67.973 4.257 48.437 0.00 0.00 +ATOM 26178 H2 WAT X8030 68.667 2.913 48.483 0.00 0.00 +ATOM 26179 O WAT X8031 77.623 5.577 28.205 0.00 0.00 +ATOM 26180 H1 WAT X8031 78.449 5.437 28.670 0.00 0.00 +ATOM 26181 H2 WAT X8031 77.185 6.270 28.699 0.00 0.00 +ATOM 26182 O WAT X8032 16.238 0.901 1.375 0.00 0.00 +ATOM 26183 H1 WAT X8032 16.430 0.503 0.526 0.00 0.00 +ATOM 26184 H2 WAT X8032 15.571 0.332 1.761 0.00 0.00 +ATOM 26185 O WAT X8033 64.274 20.425 25.964 0.00 0.00 +ATOM 26186 H1 WAT X8033 63.723 19.695 26.245 0.00 0.00 +ATOM 26187 H2 WAT X8033 64.085 20.523 25.031 0.00 0.00 +ATOM 26188 O WAT X8034 71.137 14.766 21.990 0.00 0.00 +ATOM 26189 H1 WAT X8034 71.654 14.194 22.558 0.00 0.00 +ATOM 26190 H2 WAT X8034 71.723 15.496 21.789 0.00 0.00 +ATOM 26191 O WAT X8035 74.431 19.520 52.946 0.00 0.00 +ATOM 26192 H1 WAT X8035 73.671 18.965 53.123 0.00 0.00 +ATOM 26193 H2 WAT X8035 74.204 19.985 52.141 0.00 0.00 +ATOM 26194 O WAT X8036 31.033 10.928 8.709 0.00 0.00 +ATOM 26195 H1 WAT X8036 30.402 10.408 8.211 0.00 0.00 +ATOM 26196 H2 WAT X8036 31.849 10.430 8.654 0.00 0.00 +ATOM 26197 O WAT X8037 67.412 29.405 25.672 0.00 0.00 +ATOM 26198 H1 WAT X8037 66.959 28.565 25.597 0.00 0.00 +ATOM 26199 H2 WAT X8037 68.294 29.231 25.342 0.00 0.00 +ATOM 26200 O WAT X8038 70.255 47.949 52.849 0.00 0.00 +ATOM 26201 H1 WAT X8038 70.551 47.640 51.993 0.00 0.00 +ATOM 26202 H2 WAT X8038 70.866 47.553 53.471 0.00 0.00 +ATOM 26203 O WAT X8039 74.003 18.134 13.494 0.00 0.00 +ATOM 26204 H1 WAT X8039 74.954 18.176 13.396 0.00 0.00 +ATOM 26205 H2 WAT X8039 73.852 17.365 14.044 0.00 0.00 +ATOM 26206 O WAT X8040 21.300 56.025 2.971 0.00 0.00 +ATOM 26207 H1 WAT X8040 22.014 56.371 3.507 0.00 0.00 +ATOM 26208 H2 WAT X8040 21.735 55.654 2.204 0.00 0.00 +ATOM 26209 O WAT X8041 37.569 53.263 45.831 0.00 0.00 +ATOM 26210 H1 WAT X8041 38.320 53.825 45.641 0.00 0.00 +ATOM 26211 H2 WAT X8041 37.953 52.410 46.030 0.00 0.00 +ATOM 26212 O WAT X8042 65.510 2.735 12.754 0.00 0.00 +ATOM 26213 H1 WAT X8042 65.445 1.865 12.361 0.00 0.00 +ATOM 26214 H2 WAT X8042 66.205 3.170 12.260 0.00 0.00 +ATOM 26215 O WAT X8043 63.637 20.051 31.392 0.00 0.00 +ATOM 26216 H1 WAT X8043 64.288 19.838 30.724 0.00 0.00 +ATOM 26217 H2 WAT X8043 62.916 20.450 30.905 0.00 0.00 +ATOM 26218 O WAT X8044 75.394 4.486 35.984 0.00 0.00 +ATOM 26219 H1 WAT X8044 75.378 3.691 36.517 0.00 0.00 +ATOM 26220 H2 WAT X8044 74.865 5.115 36.475 0.00 0.00 +ATOM 26221 O WAT X8045 2.715 34.381 21.357 0.00 0.00 +ATOM 26222 H1 WAT X8045 3.415 34.216 21.989 0.00 0.00 +ATOM 26223 H2 WAT X8045 2.753 35.324 21.198 0.00 0.00 +ATOM 26224 O WAT X8046 35.580 13.950 44.627 0.00 0.00 +ATOM 26225 H1 WAT X8046 36.512 13.821 44.801 0.00 0.00 +ATOM 26226 H2 WAT X8046 35.187 14.055 45.493 0.00 0.00 +ATOM 26227 O WAT X8047 5.109 39.226 56.108 0.00 0.00 +ATOM 26228 H1 WAT X8047 4.704 38.398 55.849 0.00 0.00 +ATOM 26229 H2 WAT X8047 4.835 39.848 55.433 0.00 0.00 +ATOM 26230 O WAT X8048 75.591 47.609 11.141 0.00 0.00 +ATOM 26231 H1 WAT X8048 74.681 47.826 11.344 0.00 0.00 +ATOM 26232 H2 WAT X8048 76.101 48.067 11.810 0.00 0.00 +ATOM 26233 O WAT X8049 23.017 15.940 30.093 0.00 0.00 +ATOM 26234 H1 WAT X8049 22.339 16.520 29.748 0.00 0.00 +ATOM 26235 H2 WAT X8049 23.822 16.457 30.044 0.00 0.00 +ATOM 26236 O WAT X8050 51.679 18.586 6.428 0.00 0.00 +ATOM 26237 H1 WAT X8050 52.084 17.844 5.980 0.00 0.00 +ATOM 26238 H2 WAT X8050 51.936 18.482 7.344 0.00 0.00 +ATOM 26239 O WAT X8051 63.414 50.562 7.595 0.00 0.00 +ATOM 26240 H1 WAT X8051 63.725 49.689 7.832 0.00 0.00 +ATOM 26241 H2 WAT X8051 64.139 50.948 7.102 0.00 0.00 +ATOM 26242 O WAT X8052 13.987 42.715 24.903 0.00 0.00 +ATOM 26243 H1 WAT X8052 13.350 42.078 25.227 0.00 0.00 +ATOM 26244 H2 WAT X8052 14.228 42.394 24.035 0.00 0.00 +ATOM 26245 O WAT X8053 68.210 42.875 34.643 0.00 0.00 +ATOM 26246 H1 WAT X8053 68.275 42.379 33.827 0.00 0.00 +ATOM 26247 H2 WAT X8053 68.643 43.707 34.452 0.00 0.00 +ATOM 26248 O WAT X8054 26.234 17.178 42.008 0.00 0.00 +ATOM 26249 H1 WAT X8054 26.639 17.015 41.156 0.00 0.00 +ATOM 26250 H2 WAT X8054 26.293 16.339 42.465 0.00 0.00 +ATOM 26251 O WAT X8055 66.362 46.587 22.780 0.00 0.00 +ATOM 26252 H1 WAT X8055 66.204 46.204 23.643 0.00 0.00 +ATOM 26253 H2 WAT X8055 67.106 46.095 22.432 0.00 0.00 +ATOM 26254 O WAT X8056 24.277 53.335 11.775 0.00 0.00 +ATOM 26255 H1 WAT X8056 23.396 52.959 11.789 0.00 0.00 +ATOM 26256 H2 WAT X8056 24.353 53.797 12.610 0.00 0.00 +ATOM 26257 O WAT X8057 31.211 51.316 38.405 0.00 0.00 +ATOM 26258 H1 WAT X8057 30.362 50.922 38.203 0.00 0.00 +ATOM 26259 H2 WAT X8057 31.542 51.619 37.559 0.00 0.00 +ATOM 26260 O WAT X8058 40.538 15.939 19.142 0.00 0.00 +ATOM 26261 H1 WAT X8058 41.397 16.005 19.558 0.00 0.00 +ATOM 26262 H2 WAT X8058 39.915 16.107 19.849 0.00 0.00 +ATOM 26263 O WAT X8059 46.935 45.776 38.895 0.00 0.00 +ATOM 26264 H1 WAT X8059 47.186 46.179 39.726 0.00 0.00 +ATOM 26265 H2 WAT X8059 46.844 46.512 38.290 0.00 0.00 +ATOM 26266 O WAT X8060 24.431 46.903 47.636 0.00 0.00 +ATOM 26267 H1 WAT X8060 24.226 46.958 46.703 0.00 0.00 +ATOM 26268 H2 WAT X8060 23.853 46.216 47.968 0.00 0.00 +ATOM 26269 O WAT X8061 43.340 60.689 49.081 0.00 0.00 +ATOM 26270 H1 WAT X8061 43.935 61.382 49.368 0.00 0.00 +ATOM 26271 H2 WAT X8061 42.755 60.551 49.826 0.00 0.00 +ATOM 26272 O WAT X8062 31.653 34.116 50.818 0.00 0.00 +ATOM 26273 H1 WAT X8062 31.113 33.692 51.485 0.00 0.00 +ATOM 26274 H2 WAT X8062 31.029 34.403 50.151 0.00 0.00 +ATOM 26275 O WAT X8063 57.363 52.811 11.095 0.00 0.00 +ATOM 26276 H1 WAT X8063 57.048 53.636 10.723 0.00 0.00 +ATOM 26277 H2 WAT X8063 56.880 52.719 11.916 0.00 0.00 +ATOM 26278 O WAT X8064 2.053 26.400 48.819 0.00 0.00 +ATOM 26279 H1 WAT X8064 2.172 27.238 48.372 0.00 0.00 +ATOM 26280 H2 WAT X8064 1.156 26.431 49.150 0.00 0.00 +ATOM 26281 O WAT X8065 8.531 34.329 12.383 0.00 0.00 +ATOM 26282 H1 WAT X8065 8.833 33.861 13.161 0.00 0.00 +ATOM 26283 H2 WAT X8065 7.913 34.979 12.719 0.00 0.00 +ATOM 26284 O WAT X8066 48.373 61.251 55.069 0.00 0.00 +ATOM 26285 H1 WAT X8066 47.941 61.900 55.625 0.00 0.00 +ATOM 26286 H2 WAT X8066 48.271 60.425 55.542 0.00 0.00 +ATOM 26287 O WAT X8067 66.563 40.988 55.469 0.00 0.00 +ATOM 26288 H1 WAT X8067 65.795 41.540 55.320 0.00 0.00 +ATOM 26289 H2 WAT X8067 66.472 40.275 54.837 0.00 0.00 +ATOM 26290 O WAT X8068 13.221 24.794 17.648 0.00 0.00 +ATOM 26291 H1 WAT X8068 13.525 25.697 17.553 0.00 0.00 +ATOM 26292 H2 WAT X8068 13.769 24.292 17.044 0.00 0.00 +ATOM 26293 O WAT X8069 69.245 40.216 16.351 0.00 0.00 +ATOM 26294 H1 WAT X8069 69.029 41.108 16.624 0.00 0.00 +ATOM 26295 H2 WAT X8069 70.150 40.274 16.042 0.00 0.00 +ATOM 26296 O WAT X8070 62.809 14.333 55.988 0.00 0.00 +ATOM 26297 H1 WAT X8070 62.674 15.071 55.393 0.00 0.00 +ATOM 26298 H2 WAT X8070 62.174 14.472 56.690 0.00 0.00 +ATOM 26299 O WAT X8071 58.804 57.756 23.440 0.00 0.00 +ATOM 26300 H1 WAT X8071 58.959 58.699 23.380 0.00 0.00 +ATOM 26301 H2 WAT X8071 58.921 57.436 22.546 0.00 0.00 +ATOM 26302 O WAT X8072 30.504 30.460 53.324 0.00 0.00 +ATOM 26303 H1 WAT X8072 31.397 30.708 53.561 0.00 0.00 +ATOM 26304 H2 WAT X8072 30.607 29.663 52.804 0.00 0.00 +ATOM 26305 O WAT X8073 7.665 58.431 2.354 0.00 0.00 +ATOM 26306 H1 WAT X8073 8.441 58.445 2.913 0.00 0.00 +ATOM 26307 H2 WAT X8073 7.289 59.307 2.443 0.00 0.00 +ATOM 26308 O WAT X8074 4.401 53.405 47.613 0.00 0.00 +ATOM 26309 H1 WAT X8074 3.858 52.946 46.972 0.00 0.00 +ATOM 26310 H2 WAT X8074 3.834 54.097 47.954 0.00 0.00 +ATOM 26311 O WAT X8075 10.992 33.239 27.524 0.00 0.00 +ATOM 26312 H1 WAT X8075 11.416 33.830 28.145 0.00 0.00 +ATOM 26313 H2 WAT X8075 10.081 33.532 27.498 0.00 0.00 +ATOM 26314 O WAT X8076 2.626 36.416 3.342 0.00 0.00 +ATOM 26315 H1 WAT X8076 3.401 36.875 3.016 0.00 0.00 +ATOM 26316 H2 WAT X8076 2.701 35.533 2.980 0.00 0.00 +ATOM 26317 O WAT X8077 18.190 49.721 48.342 0.00 0.00 +ATOM 26318 H1 WAT X8077 18.338 49.644 49.284 0.00 0.00 +ATOM 26319 H2 WAT X8077 17.279 50.005 48.265 0.00 0.00 +ATOM 26320 O WAT X8078 7.061 51.965 50.291 0.00 0.00 +ATOM 26321 H1 WAT X8078 7.287 51.499 49.485 0.00 0.00 +ATOM 26322 H2 WAT X8078 7.000 51.278 50.955 0.00 0.00 +ATOM 26323 O WAT X8079 1.884 30.027 18.534 0.00 0.00 +ATOM 26324 H1 WAT X8079 0.987 29.927 18.216 0.00 0.00 +ATOM 26325 H2 WAT X8079 1.961 30.958 18.745 0.00 0.00 +ATOM 26326 O WAT X8080 35.161 30.756 1.240 0.00 0.00 +ATOM 26327 H1 WAT X8080 35.127 29.912 0.789 0.00 0.00 +ATOM 26328 H2 WAT X8080 34.613 30.634 2.016 0.00 0.00 +ATOM 26329 O WAT X8081 21.537 24.295 48.487 0.00 0.00 +ATOM 26330 H1 WAT X8081 21.043 24.151 47.680 0.00 0.00 +ATOM 26331 H2 WAT X8081 21.524 25.245 48.610 0.00 0.00 +ATOM 26332 O WAT X8082 26.688 22.701 3.202 0.00 0.00 +ATOM 26333 H1 WAT X8082 27.150 22.248 3.907 0.00 0.00 +ATOM 26334 H2 WAT X8082 25.944 22.134 3.000 0.00 0.00 +ATOM 26335 O WAT X8083 66.172 59.097 17.118 0.00 0.00 +ATOM 26336 H1 WAT X8083 65.773 59.749 17.694 0.00 0.00 +ATOM 26337 H2 WAT X8083 67.102 59.115 17.343 0.00 0.00 +ATOM 26338 O WAT X8084 59.112 23.217 54.150 0.00 0.00 +ATOM 26339 H1 WAT X8084 59.427 23.346 55.045 0.00 0.00 +ATOM 26340 H2 WAT X8084 59.884 23.355 53.602 0.00 0.00 +ATOM 26341 O WAT X8085 37.458 4.997 55.925 0.00 0.00 +ATOM 26342 H1 WAT X8085 36.915 5.572 56.465 0.00 0.00 +ATOM 26343 H2 WAT X8085 38.357 5.249 56.136 0.00 0.00 +ATOM 26344 O WAT X8086 6.766 56.828 24.390 0.00 0.00 +ATOM 26345 H1 WAT X8086 6.591 57.644 24.858 0.00 0.00 +ATOM 26346 H2 WAT X8086 6.409 56.145 24.959 0.00 0.00 +ATOM 26347 O WAT X8087 2.615 28.374 6.723 0.00 0.00 +ATOM 26348 H1 WAT X8087 2.641 28.268 5.772 0.00 0.00 +ATOM 26349 H2 WAT X8087 2.418 27.498 7.056 0.00 0.00 +ATOM 26350 O WAT X8088 48.832 26.477 13.310 0.00 0.00 +ATOM 26351 H1 WAT X8088 49.696 26.603 12.917 0.00 0.00 +ATOM 26352 H2 WAT X8088 48.231 26.463 12.566 0.00 0.00 +ATOM 26353 O WAT X8089 2.395 57.268 57.828 0.00 0.00 +ATOM 26354 H1 WAT X8089 1.742 56.742 57.367 0.00 0.00 +ATOM 26355 H2 WAT X8089 1.886 57.943 58.277 0.00 0.00 +ATOM 26356 O WAT X8090 19.867 62.811 41.203 0.00 0.00 +ATOM 26357 H1 WAT X8090 20.577 62.709 41.837 0.00 0.00 +ATOM 26358 H2 WAT X8090 19.325 63.514 41.562 0.00 0.00 +ATOM 26359 O WAT X8091 17.469 17.702 16.219 0.00 0.00 +ATOM 26360 H1 WAT X8091 17.737 18.046 15.366 0.00 0.00 +ATOM 26361 H2 WAT X8091 17.452 16.753 16.100 0.00 0.00 +ATOM 26362 O WAT X8092 8.598 20.990 47.627 0.00 0.00 +ATOM 26363 H1 WAT X8092 9.093 21.177 48.425 0.00 0.00 +ATOM 26364 H2 WAT X8092 8.150 20.164 47.812 0.00 0.00 +ATOM 26365 O WAT X8093 1.394 18.400 1.153 0.00 0.00 +ATOM 26366 H1 WAT X8093 0.905 18.581 0.350 0.00 0.00 +ATOM 26367 H2 WAT X8093 1.507 17.450 1.155 0.00 0.00 +ATOM 26368 O WAT X8094 24.331 22.000 16.397 0.00 0.00 +ATOM 26369 H1 WAT X8094 24.424 22.552 17.174 0.00 0.00 +ATOM 26370 H2 WAT X8094 23.663 22.438 15.870 0.00 0.00 +ATOM 26371 O WAT X8095 46.862 25.649 5.168 0.00 0.00 +ATOM 26372 H1 WAT X8095 47.171 24.903 5.682 0.00 0.00 +ATOM 26373 H2 WAT X8095 47.134 25.453 4.272 0.00 0.00 +ATOM 26374 O WAT X8096 75.375 16.482 36.741 0.00 0.00 +ATOM 26375 H1 WAT X8096 75.290 17.050 37.507 0.00 0.00 +ATOM 26376 H2 WAT X8096 75.965 16.956 36.155 0.00 0.00 +ATOM 26377 O WAT X8097 61.139 38.732 54.449 0.00 0.00 +ATOM 26378 H1 WAT X8097 61.026 39.389 55.137 0.00 0.00 +ATOM 26379 H2 WAT X8097 60.272 38.654 54.049 0.00 0.00 +ATOM 26380 O WAT X8098 51.331 51.680 3.442 0.00 0.00 +ATOM 26381 H1 WAT X8098 51.927 51.721 4.190 0.00 0.00 +ATOM 26382 H2 WAT X8098 51.168 50.746 3.316 0.00 0.00 +ATOM 26383 O WAT X8099 66.770 41.437 3.544 0.00 0.00 +ATOM 26384 H1 WAT X8099 66.854 41.079 2.660 0.00 0.00 +ATOM 26385 H2 WAT X8099 65.929 41.103 3.858 0.00 0.00 +ATOM 26386 O WAT X8100 61.202 45.656 6.767 0.00 0.00 +ATOM 26387 H1 WAT X8100 60.367 45.378 7.144 0.00 0.00 +ATOM 26388 H2 WAT X8100 61.070 46.577 6.544 0.00 0.00 +ATOM 26389 O WAT X8101 49.076 53.365 29.883 0.00 0.00 +ATOM 26390 H1 WAT X8101 48.150 53.525 30.065 0.00 0.00 +ATOM 26391 H2 WAT X8101 49.531 54.107 30.283 0.00 0.00 +ATOM 26392 O WAT X8102 45.817 11.933 33.723 0.00 0.00 +ATOM 26393 H1 WAT X8102 45.950 11.524 32.868 0.00 0.00 +ATOM 26394 H2 WAT X8102 46.496 11.549 34.279 0.00 0.00 +ATOM 26395 O WAT X8103 60.401 56.361 43.736 0.00 0.00 +ATOM 26396 H1 WAT X8103 61.283 56.011 43.864 0.00 0.00 +ATOM 26397 H2 WAT X8103 60.436 57.242 44.111 0.00 0.00 +ATOM 26398 O WAT X8104 63.058 45.765 55.666 0.00 0.00 +ATOM 26399 H1 WAT X8104 63.838 46.287 55.477 0.00 0.00 +ATOM 26400 H2 WAT X8104 63.390 44.878 55.800 0.00 0.00 +ATOM 26401 O WAT X8105 69.607 54.746 42.391 0.00 0.00 +ATOM 26402 H1 WAT X8105 68.723 54.395 42.286 0.00 0.00 +ATOM 26403 H2 WAT X8105 69.488 55.545 42.905 0.00 0.00 +ATOM 26404 O WAT X8106 9.556 48.205 4.960 0.00 0.00 +ATOM 26405 H1 WAT X8106 10.044 48.792 5.537 0.00 0.00 +ATOM 26406 H2 WAT X8106 8.670 48.566 4.945 0.00 0.00 +ATOM 26407 O WAT X8107 31.783 14.171 29.205 0.00 0.00 +ATOM 26408 H1 WAT X8107 32.297 13.656 28.583 0.00 0.00 +ATOM 26409 H2 WAT X8107 31.779 13.646 30.005 0.00 0.00 +ATOM 26410 O WAT X8108 15.308 54.071 42.259 0.00 0.00 +ATOM 26411 H1 WAT X8108 14.652 54.591 41.795 0.00 0.00 +ATOM 26412 H2 WAT X8108 15.517 53.356 41.657 0.00 0.00 +ATOM 26413 O WAT X8109 2.918 17.867 34.595 0.00 0.00 +ATOM 26414 H1 WAT X8109 2.670 16.943 34.623 0.00 0.00 +ATOM 26415 H2 WAT X8109 3.869 17.864 34.700 0.00 0.00 +ATOM 26416 O WAT X8110 16.905 7.952 0.491 0.00 0.00 +ATOM 26417 H1 WAT X8110 16.321 7.618 -0.190 0.00 0.00 +ATOM 26418 H2 WAT X8110 17.110 7.186 1.027 0.00 0.00 +ATOM 26419 O WAT X8111 24.218 22.998 7.500 0.00 0.00 +ATOM 26420 H1 WAT X8111 24.681 22.379 8.064 0.00 0.00 +ATOM 26421 H2 WAT X8111 24.862 23.680 7.313 0.00 0.00 +ATOM 26422 O WAT X8112 57.428 12.288 22.388 0.00 0.00 +ATOM 26423 H1 WAT X8112 57.601 11.949 23.266 0.00 0.00 +ATOM 26424 H2 WAT X8112 56.515 12.573 22.417 0.00 0.00 +ATOM 26425 O WAT X8113 62.993 59.425 6.035 0.00 0.00 +ATOM 26426 H1 WAT X8113 62.902 59.383 5.083 0.00 0.00 +ATOM 26427 H2 WAT X8113 62.428 60.152 6.298 0.00 0.00 +ATOM 26428 O WAT X8114 76.579 46.733 23.161 0.00 0.00 +ATOM 26429 H1 WAT X8114 76.653 47.499 23.731 0.00 0.00 +ATOM 26430 H2 WAT X8114 76.577 45.987 23.761 0.00 0.00 +ATOM 26431 O WAT X8115 58.061 0.972 31.723 0.00 0.00 +ATOM 26432 H1 WAT X8115 58.999 1.136 31.618 0.00 0.00 +ATOM 26433 H2 WAT X8115 57.999 0.031 31.886 0.00 0.00 +ATOM 26434 O WAT X8116 70.158 51.407 55.867 0.00 0.00 +ATOM 26435 H1 WAT X8116 70.399 51.691 56.749 0.00 0.00 +ATOM 26436 H2 WAT X8116 69.409 50.826 55.998 0.00 0.00 +ATOM 26437 O WAT X8117 64.190 26.210 11.889 0.00 0.00 +ATOM 26438 H1 WAT X8117 63.567 26.742 11.394 0.00 0.00 +ATOM 26439 H2 WAT X8117 64.896 26.029 11.269 0.00 0.00 +ATOM 26440 O WAT X8118 43.990 53.310 38.371 0.00 0.00 +ATOM 26441 H1 WAT X8118 44.501 53.404 37.567 0.00 0.00 +ATOM 26442 H2 WAT X8118 43.456 52.529 38.225 0.00 0.00 +ATOM 26443 O WAT X8119 15.652 52.098 12.998 0.00 0.00 +ATOM 26444 H1 WAT X8119 15.351 52.985 12.800 0.00 0.00 +ATOM 26445 H2 WAT X8119 16.087 51.809 12.196 0.00 0.00 +ATOM 26446 O WAT X8120 21.005 45.467 56.373 0.00 0.00 +ATOM 26447 H1 WAT X8120 20.440 46.186 56.656 0.00 0.00 +ATOM 26448 H2 WAT X8120 21.028 44.871 57.121 0.00 0.00 +ATOM 26449 O WAT X8121 64.363 31.709 48.226 0.00 0.00 +ATOM 26450 H1 WAT X8121 64.946 31.707 47.467 0.00 0.00 +ATOM 26451 H2 WAT X8121 64.598 30.918 48.710 0.00 0.00 +ATOM 26452 O WAT X8122 62.724 19.031 52.408 0.00 0.00 +ATOM 26453 H1 WAT X8122 62.199 18.312 52.056 0.00 0.00 +ATOM 26454 H2 WAT X8122 62.080 19.656 52.743 0.00 0.00 +ATOM 26455 O WAT X8123 55.080 61.880 48.453 0.00 0.00 +ATOM 26456 H1 WAT X8123 54.257 62.077 48.901 0.00 0.00 +ATOM 26457 H2 WAT X8123 55.504 61.225 49.007 0.00 0.00 +ATOM 26458 O WAT X8124 40.879 57.424 6.033 0.00 0.00 +ATOM 26459 H1 WAT X8124 40.949 58.369 5.901 0.00 0.00 +ATOM 26460 H2 WAT X8124 41.784 57.128 6.131 0.00 0.00 +ATOM 26461 O WAT X8125 7.500 28.792 9.070 0.00 0.00 +ATOM 26462 H1 WAT X8125 7.912 28.419 8.290 0.00 0.00 +ATOM 26463 H2 WAT X8125 6.630 28.392 9.095 0.00 0.00 +ATOM 26464 O WAT X8126 23.976 2.951 57.915 0.00 0.00 +ATOM 26465 H1 WAT X8126 23.346 2.403 57.448 0.00 0.00 +ATOM 26466 H2 WAT X8126 24.153 2.476 58.727 0.00 0.00 +ATOM 26467 O WAT X8127 66.222 35.415 36.663 0.00 0.00 +ATOM 26468 H1 WAT X8127 65.821 35.550 35.804 0.00 0.00 +ATOM 26469 H2 WAT X8127 67.143 35.644 36.537 0.00 0.00 +ATOM 26470 O WAT X8128 71.170 18.072 46.391 0.00 0.00 +ATOM 26471 H1 WAT X8128 71.059 18.950 46.026 0.00 0.00 +ATOM 26472 H2 WAT X8128 70.960 18.170 47.320 0.00 0.00 +ATOM 26473 O WAT X8129 13.938 19.397 11.173 0.00 0.00 +ATOM 26474 H1 WAT X8129 13.488 19.477 12.014 0.00 0.00 +ATOM 26475 H2 WAT X8129 13.376 19.865 10.555 0.00 0.00 +ATOM 26476 O WAT X8130 62.760 15.660 40.404 0.00 0.00 +ATOM 26477 H1 WAT X8130 63.457 16.297 40.557 0.00 0.00 +ATOM 26478 H2 WAT X8130 63.132 15.043 39.773 0.00 0.00 +ATOM 26479 O WAT X8131 71.332 30.785 44.762 0.00 0.00 +ATOM 26480 H1 WAT X8131 70.916 31.575 45.107 0.00 0.00 +ATOM 26481 H2 WAT X8131 72.132 30.690 45.280 0.00 0.00 +ATOM 26482 O WAT X8132 44.978 40.597 44.772 0.00 0.00 +ATOM 26483 H1 WAT X8132 45.832 40.281 45.066 0.00 0.00 +ATOM 26484 H2 WAT X8132 44.362 40.266 45.426 0.00 0.00 +ATOM 26485 O WAT X8133 14.695 37.732 20.870 0.00 0.00 +ATOM 26486 H1 WAT X8133 13.750 37.872 20.928 0.00 0.00 +ATOM 26487 H2 WAT X8133 15.065 38.319 21.529 0.00 0.00 +ATOM 26488 O WAT X8134 17.179 11.993 14.375 0.00 0.00 +ATOM 26489 H1 WAT X8134 16.585 11.660 13.703 0.00 0.00 +ATOM 26490 H2 WAT X8134 16.618 12.501 14.961 0.00 0.00 +ATOM 26491 O WAT X8135 60.591 60.830 41.553 0.00 0.00 +ATOM 26492 H1 WAT X8135 60.962 61.696 41.379 0.00 0.00 +ATOM 26493 H2 WAT X8135 60.929 60.594 42.416 0.00 0.00 +ATOM 26494 O WAT X8136 61.164 12.292 42.398 0.00 0.00 +ATOM 26495 H1 WAT X8136 60.885 11.422 42.684 0.00 0.00 +ATOM 26496 H2 WAT X8136 61.976 12.136 41.915 0.00 0.00 +ATOM 26497 O WAT X8137 21.100 6.792 2.617 0.00 0.00 +ATOM 26498 H1 WAT X8137 20.282 6.403 2.927 0.00 0.00 +ATOM 26499 H2 WAT X8137 21.410 6.191 1.939 0.00 0.00 +ATOM 26500 O WAT X8138 46.549 2.890 20.314 0.00 0.00 +ATOM 26501 H1 WAT X8138 45.765 3.416 20.473 0.00 0.00 +ATOM 26502 H2 WAT X8138 47.139 3.117 21.033 0.00 0.00 +ATOM 26503 O WAT X8139 60.568 4.328 -0.227 0.00 0.00 +ATOM 26504 H1 WAT X8139 59.873 3.895 0.267 0.00 0.00 +ATOM 26505 H2 WAT X8139 60.681 5.173 0.208 0.00 0.00 +ATOM 26506 O WAT X8140 41.531 32.775 13.030 0.00 0.00 +ATOM 26507 H1 WAT X8140 40.887 33.472 13.159 0.00 0.00 +ATOM 26508 H2 WAT X8140 41.026 31.965 13.106 0.00 0.00 +ATOM 26509 O WAT X8141 8.715 37.353 13.702 0.00 0.00 +ATOM 26510 H1 WAT X8141 9.165 37.502 12.871 0.00 0.00 +ATOM 26511 H2 WAT X8141 8.984 38.086 14.256 0.00 0.00 +ATOM 26512 O WAT X8142 35.914 14.058 49.723 0.00 0.00 +ATOM 26513 H1 WAT X8142 36.036 14.949 49.393 0.00 0.00 +ATOM 26514 H2 WAT X8142 35.319 14.158 50.465 0.00 0.00 +ATOM 26515 O WAT X8143 5.282 29.300 43.585 0.00 0.00 +ATOM 26516 H1 WAT X8143 5.632 30.090 43.997 0.00 0.00 +ATOM 26517 H2 WAT X8143 4.733 29.624 42.871 0.00 0.00 +ATOM 26518 O WAT X8144 5.717 35.867 28.947 0.00 0.00 +ATOM 26519 H1 WAT X8144 5.478 36.478 29.644 0.00 0.00 +ATOM 26520 H2 WAT X8144 4.977 35.262 28.896 0.00 0.00 +ATOM 26521 O WAT X8145 77.945 37.882 34.513 0.00 0.00 +ATOM 26522 H1 WAT X8145 77.088 37.759 34.922 0.00 0.00 +ATOM 26523 H2 WAT X8145 77.748 38.084 33.599 0.00 0.00 +ATOM 26524 O WAT X8146 10.551 1.314 34.335 0.00 0.00 +ATOM 26525 H1 WAT X8146 9.725 1.796 34.293 0.00 0.00 +ATOM 26526 H2 WAT X8146 11.219 1.991 34.444 0.00 0.00 +ATOM 26527 O WAT X8147 2.589 0.695 18.562 0.00 0.00 +ATOM 26528 H1 WAT X8147 1.933 1.285 18.191 0.00 0.00 +ATOM 26529 H2 WAT X8147 2.945 0.226 17.807 0.00 0.00 +ATOM 26530 O WAT X8148 31.824 5.136 12.931 0.00 0.00 +ATOM 26531 H1 WAT X8148 31.183 5.827 13.098 0.00 0.00 +ATOM 26532 H2 WAT X8148 31.490 4.679 12.159 0.00 0.00 +ATOM 26533 O WAT X8149 57.079 41.080 19.354 0.00 0.00 +ATOM 26534 H1 WAT X8149 57.506 41.787 19.839 0.00 0.00 +ATOM 26535 H2 WAT X8149 57.095 41.373 18.442 0.00 0.00 +ATOM 26536 O WAT X8150 18.042 59.498 20.376 0.00 0.00 +ATOM 26537 H1 WAT X8150 17.433 59.240 19.684 0.00 0.00 +ATOM 26538 H2 WAT X8150 17.828 60.414 20.553 0.00 0.00 +ATOM 26539 O WAT X8151 19.745 14.461 4.811 0.00 0.00 +ATOM 26540 H1 WAT X8151 19.733 14.200 3.890 0.00 0.00 +ATOM 26541 H2 WAT X8151 20.524 15.012 4.894 0.00 0.00 +ATOM 26542 O WAT X8152 42.132 37.645 48.448 0.00 0.00 +ATOM 26543 H1 WAT X8152 42.865 37.217 48.891 0.00 0.00 +ATOM 26544 H2 WAT X8152 41.362 37.147 48.722 0.00 0.00 +ATOM 26545 O WAT X8153 59.727 27.399 19.602 0.00 0.00 +ATOM 26546 H1 WAT X8153 59.872 27.395 18.656 0.00 0.00 +ATOM 26547 H2 WAT X8153 59.107 26.686 19.752 0.00 0.00 +ATOM 26548 O WAT X8154 25.723 9.461 37.330 0.00 0.00 +ATOM 26549 H1 WAT X8154 26.278 9.259 36.576 0.00 0.00 +ATOM 26550 H2 WAT X8154 24.840 9.524 36.966 0.00 0.00 +ATOM 26551 O WAT X8155 10.278 55.520 16.319 0.00 0.00 +ATOM 26552 H1 WAT X8155 10.019 56.197 15.694 0.00 0.00 +ATOM 26553 H2 WAT X8155 9.529 54.924 16.351 0.00 0.00 +ATOM 26554 O WAT X8156 8.802 12.668 22.853 0.00 0.00 +ATOM 26555 H1 WAT X8156 8.755 12.017 23.553 0.00 0.00 +ATOM 26556 H2 WAT X8156 9.626 13.129 23.009 0.00 0.00 +ATOM 26557 O WAT X8157 7.292 45.954 54.616 0.00 0.00 +ATOM 26558 H1 WAT X8157 7.426 46.769 55.100 0.00 0.00 +ATOM 26559 H2 WAT X8157 6.946 46.234 53.768 0.00 0.00 +ATOM 26560 O WAT X8158 3.329 11.086 54.664 0.00 0.00 +ATOM 26561 H1 WAT X8158 2.608 10.456 54.663 0.00 0.00 +ATOM 26562 H2 WAT X8158 3.547 11.201 53.739 0.00 0.00 +ATOM 26563 O WAT X8159 36.295 59.854 45.481 0.00 0.00 +ATOM 26564 H1 WAT X8159 36.812 59.857 44.675 0.00 0.00 +ATOM 26565 H2 WAT X8159 35.884 58.990 45.498 0.00 0.00 +ATOM 26566 O WAT X8160 9.327 11.311 8.214 0.00 0.00 +ATOM 26567 H1 WAT X8160 9.036 10.405 8.108 0.00 0.00 +ATOM 26568 H2 WAT X8160 8.556 11.774 8.541 0.00 0.00 +ATOM 26569 O WAT X8161 12.956 15.329 42.399 0.00 0.00 +ATOM 26570 H1 WAT X8161 13.041 15.189 41.456 0.00 0.00 +ATOM 26571 H2 WAT X8161 13.509 14.654 42.792 0.00 0.00 +ATOM 26572 O WAT X8162 54.718 16.656 43.658 0.00 0.00 +ATOM 26573 H1 WAT X8162 54.111 15.917 43.681 0.00 0.00 +ATOM 26574 H2 WAT X8162 54.250 17.335 43.172 0.00 0.00 +ATOM 26575 O WAT X8163 43.941 5.402 29.765 0.00 0.00 +ATOM 26576 H1 WAT X8163 44.655 5.811 30.255 0.00 0.00 +ATOM 26577 H2 WAT X8163 43.146 5.774 30.146 0.00 0.00 +ATOM 26578 O WAT X8164 70.836 37.390 19.600 0.00 0.00 +ATOM 26579 H1 WAT X8164 70.619 36.469 19.743 0.00 0.00 +ATOM 26580 H2 WAT X8164 70.070 37.751 19.154 0.00 0.00 +ATOM 26581 O WAT X8165 27.611 17.824 14.212 0.00 0.00 +ATOM 26582 H1 WAT X8165 28.486 17.522 13.968 0.00 0.00 +ATOM 26583 H2 WAT X8165 27.549 18.704 13.841 0.00 0.00 +ATOM 26584 O WAT X8166 40.252 13.290 49.104 0.00 0.00 +ATOM 26585 H1 WAT X8166 40.098 14.166 48.752 0.00 0.00 +ATOM 26586 H2 WAT X8166 39.411 13.033 49.483 0.00 0.00 +ATOM 26587 O WAT X8167 17.632 5.295 24.618 0.00 0.00 +ATOM 26588 H1 WAT X8167 16.836 5.122 25.121 0.00 0.00 +ATOM 26589 H2 WAT X8167 18.336 4.923 25.149 0.00 0.00 +ATOM 26590 O WAT X8168 41.146 1.009 43.646 0.00 0.00 +ATOM 26591 H1 WAT X8168 40.488 0.351 43.424 0.00 0.00 +ATOM 26592 H2 WAT X8168 40.813 1.820 43.261 0.00 0.00 +ATOM 26593 O WAT X8169 25.796 16.693 10.796 0.00 0.00 +ATOM 26594 H1 WAT X8169 25.624 17.450 11.357 0.00 0.00 +ATOM 26595 H2 WAT X8169 26.694 16.820 10.491 0.00 0.00 +ATOM 26596 O WAT X8170 12.245 37.193 6.645 0.00 0.00 +ATOM 26597 H1 WAT X8170 11.553 36.715 6.188 0.00 0.00 +ATOM 26598 H2 WAT X8170 12.475 37.907 6.051 0.00 0.00 +ATOM 26599 O WAT X8171 14.155 56.703 21.905 0.00 0.00 +ATOM 26600 H1 WAT X8171 13.256 56.396 21.784 0.00 0.00 +ATOM 26601 H2 WAT X8171 14.065 57.634 22.106 0.00 0.00 +ATOM 26602 O WAT X8172 60.734 23.710 19.487 0.00 0.00 +ATOM 26603 H1 WAT X8172 60.363 23.468 18.638 0.00 0.00 +ATOM 26604 H2 WAT X8172 61.611 23.327 19.482 0.00 0.00 +ATOM 26605 O WAT X8173 24.029 26.956 12.954 0.00 0.00 +ATOM 26606 H1 WAT X8173 23.982 26.396 13.729 0.00 0.00 +ATOM 26607 H2 WAT X8173 23.371 26.597 12.359 0.00 0.00 +ATOM 26608 O WAT X8174 14.495 1.503 50.792 0.00 0.00 +ATOM 26609 H1 WAT X8174 14.769 2.242 51.337 0.00 0.00 +ATOM 26610 H2 WAT X8174 13.752 1.123 51.261 0.00 0.00 +ATOM 26611 O WAT X8175 47.237 26.221 10.800 0.00 0.00 +ATOM 26612 H1 WAT X8175 46.966 27.100 10.533 0.00 0.00 +ATOM 26613 H2 WAT X8175 46.421 25.782 11.040 0.00 0.00 +ATOM 26614 O WAT X8176 10.492 30.185 40.643 0.00 0.00 +ATOM 26615 H1 WAT X8176 10.578 29.251 40.455 0.00 0.00 +ATOM 26616 H2 WAT X8176 9.581 30.292 40.916 0.00 0.00 +ATOM 26617 O WAT X8177 55.430 19.792 7.566 0.00 0.00 +ATOM 26618 H1 WAT X8177 54.628 20.081 7.129 0.00 0.00 +ATOM 26619 H2 WAT X8177 55.180 18.984 8.014 0.00 0.00 +ATOM 26620 O WAT X8178 67.196 38.617 47.566 0.00 0.00 +ATOM 26621 H1 WAT X8178 67.470 39.464 47.920 0.00 0.00 +ATOM 26622 H2 WAT X8178 67.719 37.976 48.047 0.00 0.00 +ATOM 26623 O WAT X8179 61.844 22.047 34.441 0.00 0.00 +ATOM 26624 H1 WAT X8179 61.970 21.102 34.529 0.00 0.00 +ATOM 26625 H2 WAT X8179 61.017 22.135 33.968 0.00 0.00 +ATOM 26626 O WAT X8180 8.872 7.048 54.967 0.00 0.00 +ATOM 26627 H1 WAT X8180 8.652 7.825 55.481 0.00 0.00 +ATOM 26628 H2 WAT X8180 9.827 6.997 55.007 0.00 0.00 +ATOM 26629 O WAT X8181 2.858 36.531 24.113 0.00 0.00 +ATOM 26630 H1 WAT X8181 2.239 36.123 24.719 0.00 0.00 +ATOM 26631 H2 WAT X8181 3.092 35.831 23.503 0.00 0.00 +ATOM 26632 O WAT X8182 4.998 18.315 6.840 0.00 0.00 +ATOM 26633 H1 WAT X8182 4.607 18.937 7.454 0.00 0.00 +ATOM 26634 H2 WAT X8182 5.433 18.864 6.187 0.00 0.00 +ATOM 26635 O WAT X8183 70.856 22.422 54.106 0.00 0.00 +ATOM 26636 H1 WAT X8183 70.485 22.602 53.242 0.00 0.00 +ATOM 26637 H2 WAT X8183 70.182 22.712 54.720 0.00 0.00 +ATOM 26638 O WAT X8184 25.648 51.479 9.994 0.00 0.00 +ATOM 26639 H1 WAT X8184 25.713 52.340 9.579 0.00 0.00 +ATOM 26640 H2 WAT X8184 24.889 51.549 10.572 0.00 0.00 +ATOM 26641 O WAT X8185 44.759 43.167 5.370 0.00 0.00 +ATOM 26642 H1 WAT X8185 44.555 43.751 6.099 0.00 0.00 +ATOM 26643 H2 WAT X8185 44.897 43.752 4.625 0.00 0.00 +ATOM 26644 O WAT X8186 35.040 9.118 6.084 0.00 0.00 +ATOM 26645 H1 WAT X8186 35.533 8.802 5.327 0.00 0.00 +ATOM 26646 H2 WAT X8186 35.583 9.816 6.449 0.00 0.00 +ATOM 26647 O WAT X8187 11.824 22.060 43.274 0.00 0.00 +ATOM 26648 H1 WAT X8187 12.466 21.353 43.218 0.00 0.00 +ATOM 26649 H2 WAT X8187 11.093 21.682 43.763 0.00 0.00 +ATOM 26650 O WAT X8188 44.493 9.425 25.156 0.00 0.00 +ATOM 26651 H1 WAT X8188 44.447 10.021 25.904 0.00 0.00 +ATOM 26652 H2 WAT X8188 45.387 9.084 25.176 0.00 0.00 +ATOM 26653 O WAT X8189 4.000 30.462 23.107 0.00 0.00 +ATOM 26654 H1 WAT X8189 3.066 30.287 23.224 0.00 0.00 +ATOM 26655 H2 WAT X8189 4.425 29.622 23.280 0.00 0.00 +ATOM 26656 O WAT X8190 10.752 12.930 47.827 0.00 0.00 +ATOM 26657 H1 WAT X8190 11.308 13.115 47.069 0.00 0.00 +ATOM 26658 H2 WAT X8190 11.039 13.555 48.493 0.00 0.00 +ATOM 26659 O WAT X8191 77.586 29.830 21.561 0.00 0.00 +ATOM 26660 H1 WAT X8191 77.529 30.735 21.253 0.00 0.00 +ATOM 26661 H2 WAT X8191 77.555 29.303 20.763 0.00 0.00 +ATOM 26662 O WAT X8192 6.875 6.935 50.663 0.00 0.00 +ATOM 26663 H1 WAT X8192 6.544 6.658 51.518 0.00 0.00 +ATOM 26664 H2 WAT X8192 6.118 7.326 50.228 0.00 0.00 +ATOM 26665 O WAT X8193 18.973 9.125 20.413 0.00 0.00 +ATOM 26666 H1 WAT X8193 18.771 8.537 21.140 0.00 0.00 +ATOM 26667 H2 WAT X8193 18.923 8.570 19.635 0.00 0.00 +ATOM 26668 O WAT X8194 25.275 46.013 54.648 0.00 0.00 +ATOM 26669 H1 WAT X8194 26.141 46.129 55.040 0.00 0.00 +ATOM 26670 H2 WAT X8194 24.729 45.692 55.365 0.00 0.00 +ATOM 26671 O WAT X8195 74.567 22.788 57.548 0.00 0.00 +ATOM 26672 H1 WAT X8195 75.220 22.149 57.261 0.00 0.00 +ATOM 26673 H2 WAT X8195 74.196 22.409 58.345 0.00 0.00 +ATOM 26674 O WAT X8196 50.712 41.000 13.715 0.00 0.00 +ATOM 26675 H1 WAT X8196 50.644 40.288 14.351 0.00 0.00 +ATOM 26676 H2 WAT X8196 50.738 41.795 14.247 0.00 0.00 +ATOM 26677 O WAT X8197 6.437 18.554 2.177 0.00 0.00 +ATOM 26678 H1 WAT X8197 5.739 19.140 1.885 0.00 0.00 +ATOM 26679 H2 WAT X8197 6.015 17.976 2.813 0.00 0.00 +ATOM 26680 O WAT X8198 53.973 3.831 20.560 0.00 0.00 +ATOM 26681 H1 WAT X8198 53.738 3.273 19.819 0.00 0.00 +ATOM 26682 H2 WAT X8198 53.950 3.246 21.318 0.00 0.00 +ATOM 26683 O WAT X8199 8.858 16.075 1.797 0.00 0.00 +ATOM 26684 H1 WAT X8199 8.372 16.187 2.614 0.00 0.00 +ATOM 26685 H2 WAT X8199 9.700 15.710 2.067 0.00 0.00 +ATOM 26686 O WAT X8200 56.187 26.333 0.704 0.00 0.00 +ATOM 26687 H1 WAT X8200 56.377 26.834 -0.089 0.00 0.00 +ATOM 26688 H2 WAT X8200 56.320 25.421 0.449 0.00 0.00 +ATOM 26689 O WAT X8201 58.410 57.099 10.414 0.00 0.00 +ATOM 26690 H1 WAT X8201 58.447 58.003 10.726 0.00 0.00 +ATOM 26691 H2 WAT X8201 58.884 57.113 9.583 0.00 0.00 +ATOM 26692 O WAT X8202 71.920 21.899 11.798 0.00 0.00 +ATOM 26693 H1 WAT X8202 71.956 22.786 12.156 0.00 0.00 +ATOM 26694 H2 WAT X8202 72.668 21.451 12.192 0.00 0.00 +ATOM 26695 O WAT X8203 65.686 8.590 8.765 0.00 0.00 +ATOM 26696 H1 WAT X8203 64.734 8.629 8.854 0.00 0.00 +ATOM 26697 H2 WAT X8203 65.900 7.664 8.877 0.00 0.00 +ATOM 26698 O WAT X8204 9.340 48.490 18.343 0.00 0.00 +ATOM 26699 H1 WAT X8204 9.353 47.704 18.889 0.00 0.00 +ATOM 26700 H2 WAT X8204 8.947 49.162 18.899 0.00 0.00 +ATOM 26701 O WAT X8205 4.901 13.462 57.170 0.00 0.00 +ATOM 26702 H1 WAT X8205 5.624 13.391 57.793 0.00 0.00 +ATOM 26703 H2 WAT X8205 4.147 13.710 57.705 0.00 0.00 +ATOM 26704 O WAT X8206 16.080 8.088 47.717 0.00 0.00 +ATOM 26705 H1 WAT X8206 16.686 8.829 47.694 0.00 0.00 +ATOM 26706 H2 WAT X8206 15.238 8.475 47.955 0.00 0.00 +ATOM 26707 O WAT X8207 27.622 20.892 5.476 0.00 0.00 +ATOM 26708 H1 WAT X8207 27.090 20.645 6.233 0.00 0.00 +ATOM 26709 H2 WAT X8207 27.439 20.217 4.824 0.00 0.00 +ATOM 26710 O WAT X8208 76.945 59.565 16.485 0.00 0.00 +ATOM 26711 H1 WAT X8208 77.196 58.724 16.103 0.00 0.00 +ATOM 26712 H2 WAT X8208 77.485 59.642 17.271 0.00 0.00 +ATOM 26713 O WAT X8209 69.132 38.434 45.366 0.00 0.00 +ATOM 26714 H1 WAT X8209 68.323 38.597 45.850 0.00 0.00 +ATOM 26715 H2 WAT X8209 69.541 39.295 45.285 0.00 0.00 +ATOM 26716 O WAT X8210 32.098 3.280 40.262 0.00 0.00 +ATOM 26717 H1 WAT X8210 31.620 3.118 41.076 0.00 0.00 +ATOM 26718 H2 WAT X8210 33.019 3.174 40.500 0.00 0.00 +ATOM 26719 O WAT X8211 46.785 35.433 41.202 0.00 0.00 +ATOM 26720 H1 WAT X8211 46.015 35.213 40.679 0.00 0.00 +ATOM 26721 H2 WAT X8211 46.445 35.978 41.912 0.00 0.00 +ATOM 26722 O WAT X8212 12.927 7.097 23.375 0.00 0.00 +ATOM 26723 H1 WAT X8212 13.249 6.941 22.488 0.00 0.00 +ATOM 26724 H2 WAT X8212 13.689 7.426 23.852 0.00 0.00 +ATOM 26725 O WAT X8213 9.093 60.120 54.807 0.00 0.00 +ATOM 26726 H1 WAT X8213 8.275 60.336 55.256 0.00 0.00 +ATOM 26727 H2 WAT X8213 9.742 60.060 55.507 0.00 0.00 +ATOM 26728 O WAT X8214 71.330 36.755 43.699 0.00 0.00 +ATOM 26729 H1 WAT X8214 71.181 37.657 43.982 0.00 0.00 +ATOM 26730 H2 WAT X8214 72.220 36.758 43.348 0.00 0.00 +ATOM 26731 O WAT X8215 3.413 54.394 30.167 0.00 0.00 +ATOM 26732 H1 WAT X8215 2.747 54.029 30.750 0.00 0.00 +ATOM 26733 H2 WAT X8215 2.935 55.013 29.615 0.00 0.00 +ATOM 26734 O WAT X8216 17.911 55.967 36.955 0.00 0.00 +ATOM 26735 H1 WAT X8216 18.268 56.852 37.029 0.00 0.00 +ATOM 26736 H2 WAT X8216 17.941 55.774 36.018 0.00 0.00 +ATOM 26737 O WAT X8217 15.403 46.050 20.671 0.00 0.00 +ATOM 26738 H1 WAT X8217 14.626 45.599 20.339 0.00 0.00 +ATOM 26739 H2 WAT X8217 15.064 46.655 21.331 0.00 0.00 +ATOM 26740 O WAT X8218 64.653 37.620 16.328 0.00 0.00 +ATOM 26741 H1 WAT X8218 64.495 37.857 15.414 0.00 0.00 +ATOM 26742 H2 WAT X8218 64.141 36.822 16.461 0.00 0.00 +ATOM 26743 O WAT X8219 52.001 0.916 36.507 0.00 0.00 +ATOM 26744 H1 WAT X8219 52.347 0.790 37.391 0.00 0.00 +ATOM 26745 H2 WAT X8219 52.683 1.408 36.050 0.00 0.00 +ATOM 26746 O WAT X8220 63.776 39.332 40.796 0.00 0.00 +ATOM 26747 H1 WAT X8220 63.788 39.137 41.733 0.00 0.00 +ATOM 26748 H2 WAT X8220 64.243 38.600 40.393 0.00 0.00 +ATOM 26749 O WAT X8221 6.534 36.274 14.907 0.00 0.00 +ATOM 26750 H1 WAT X8221 6.112 36.107 14.064 0.00 0.00 +ATOM 26751 H2 WAT X8221 7.384 36.650 14.678 0.00 0.00 +ATOM 26752 O WAT X8222 27.192 17.361 49.478 0.00 0.00 +ATOM 26753 H1 WAT X8222 27.555 17.521 48.606 0.00 0.00 +ATOM 26754 H2 WAT X8222 26.508 16.708 49.336 0.00 0.00 +ATOM 26755 O WAT X8223 77.887 8.897 40.031 0.00 0.00 +ATOM 26756 H1 WAT X8223 78.510 8.201 40.238 0.00 0.00 +ATOM 26757 H2 WAT X8223 77.174 8.451 39.573 0.00 0.00 +ATOM 26758 O WAT X8224 51.695 3.107 25.209 0.00 0.00 +ATOM 26759 H1 WAT X8224 51.293 2.877 26.047 0.00 0.00 +ATOM 26760 H2 WAT X8224 52.398 3.715 25.440 0.00 0.00 +ATOM 26761 O WAT X8225 55.804 4.816 53.913 0.00 0.00 +ATOM 26762 H1 WAT X8225 55.232 5.532 53.639 0.00 0.00 +ATOM 26763 H2 WAT X8225 56.400 5.215 54.547 0.00 0.00 +ATOM 26764 O WAT X8226 9.763 21.603 27.870 0.00 0.00 +ATOM 26765 H1 WAT X8226 10.354 21.727 28.613 0.00 0.00 +ATOM 26766 H2 WAT X8226 8.886 21.684 28.244 0.00 0.00 +ATOM 26767 O WAT X8227 60.468 27.792 50.816 0.00 0.00 +ATOM 26768 H1 WAT X8227 61.102 28.500 50.701 0.00 0.00 +ATOM 26769 H2 WAT X8227 60.150 27.900 51.713 0.00 0.00 +ATOM 26770 O WAT X8228 73.491 21.507 15.984 0.00 0.00 +ATOM 26771 H1 WAT X8228 73.454 22.058 15.202 0.00 0.00 +ATOM 26772 H2 WAT X8228 74.395 21.585 16.289 0.00 0.00 +ATOM 26773 O WAT X8229 16.467 28.887 3.844 0.00 0.00 +ATOM 26774 H1 WAT X8229 16.894 28.052 4.033 0.00 0.00 +ATOM 26775 H2 WAT X8229 15.917 29.053 4.609 0.00 0.00 +ATOM 26776 O WAT X8230 43.367 33.516 2.674 0.00 0.00 +ATOM 26777 H1 WAT X8230 43.570 34.413 2.939 0.00 0.00 +ATOM 26778 H2 WAT X8230 42.497 33.350 3.038 0.00 0.00 +ATOM 26779 O WAT X8231 29.082 44.250 20.615 0.00 0.00 +ATOM 26780 H1 WAT X8231 29.476 43.955 21.436 0.00 0.00 +ATOM 26781 H2 WAT X8231 28.800 43.444 20.181 0.00 0.00 +ATOM 26782 O WAT X8232 76.851 35.070 0.220 0.00 0.00 +ATOM 26783 H1 WAT X8232 76.505 34.441 0.854 0.00 0.00 +ATOM 26784 H2 WAT X8232 77.552 34.597 -0.228 0.00 0.00 +ATOM 26785 O WAT X8233 25.867 45.484 41.663 0.00 0.00 +ATOM 26786 H1 WAT X8233 25.066 45.262 41.188 0.00 0.00 +ATOM 26787 H2 WAT X8233 25.711 45.172 42.554 0.00 0.00 +ATOM 26788 O WAT X8234 52.508 13.805 43.782 0.00 0.00 +ATOM 26789 H1 WAT X8234 51.649 13.386 43.731 0.00 0.00 +ATOM 26790 H2 WAT X8234 53.128 13.105 43.577 0.00 0.00 +ATOM 26791 O WAT X8235 10.928 10.405 0.567 0.00 0.00 +ATOM 26792 H1 WAT X8235 11.525 10.227 1.293 0.00 0.00 +ATOM 26793 H2 WAT X8235 10.066 10.476 0.977 0.00 0.00 +ATOM 26794 O WAT X8236 27.525 60.198 21.655 0.00 0.00 +ATOM 26795 H1 WAT X8236 27.928 59.477 21.172 0.00 0.00 +ATOM 26796 H2 WAT X8236 27.507 59.898 22.563 0.00 0.00 +ATOM 26797 O WAT X8237 74.894 41.285 3.472 0.00 0.00 +ATOM 26798 H1 WAT X8237 74.705 41.426 4.400 0.00 0.00 +ATOM 26799 H2 WAT X8237 74.934 40.333 3.378 0.00 0.00 +ATOM 26800 O WAT X8238 66.008 39.939 20.878 0.00 0.00 +ATOM 26801 H1 WAT X8238 66.278 39.097 21.245 0.00 0.00 +ATOM 26802 H2 WAT X8238 65.676 40.432 21.629 0.00 0.00 +ATOM 26803 O WAT X8239 67.660 60.420 50.804 0.00 0.00 +ATOM 26804 H1 WAT X8239 67.218 59.697 51.249 0.00 0.00 +ATOM 26805 H2 WAT X8239 68.149 60.002 50.096 0.00 0.00 +ATOM 26806 O WAT X8240 15.604 31.419 4.024 0.00 0.00 +ATOM 26807 H1 WAT X8240 15.963 30.582 3.730 0.00 0.00 +ATOM 26808 H2 WAT X8240 16.193 31.698 4.726 0.00 0.00 +ATOM 26809 O WAT X8241 52.684 47.660 13.756 0.00 0.00 +ATOM 26810 H1 WAT X8241 52.657 46.704 13.717 0.00 0.00 +ATOM 26811 H2 WAT X8241 53.451 47.856 14.294 0.00 0.00 +ATOM 26812 O WAT X8242 16.435 12.027 31.833 0.00 0.00 +ATOM 26813 H1 WAT X8242 16.962 12.583 32.407 0.00 0.00 +ATOM 26814 H2 WAT X8242 15.594 12.479 31.766 0.00 0.00 +ATOM 26815 O WAT X8243 45.393 61.708 53.436 0.00 0.00 +ATOM 26816 H1 WAT X8243 44.982 60.853 53.566 0.00 0.00 +ATOM 26817 H2 WAT X8243 44.893 62.302 53.997 0.00 0.00 +ATOM 26818 O WAT X8244 17.640 46.248 39.147 0.00 0.00 +ATOM 26819 H1 WAT X8244 18.328 45.591 39.036 0.00 0.00 +ATOM 26820 H2 WAT X8244 17.093 46.156 38.367 0.00 0.00 +ATOM 26821 O WAT X8245 66.064 22.847 9.282 0.00 0.00 +ATOM 26822 H1 WAT X8245 66.088 22.052 9.815 0.00 0.00 +ATOM 26823 H2 WAT X8245 66.536 22.613 8.483 0.00 0.00 +ATOM 26824 O WAT X8246 14.057 34.348 4.927 0.00 0.00 +ATOM 26825 H1 WAT X8246 13.922 35.129 5.463 0.00 0.00 +ATOM 26826 H2 WAT X8246 14.823 34.554 4.392 0.00 0.00 +ATOM 26827 O WAT X8247 47.162 4.476 5.883 0.00 0.00 +ATOM 26828 H1 WAT X8247 46.724 4.348 5.042 0.00 0.00 +ATOM 26829 H2 WAT X8247 48.085 4.299 5.702 0.00 0.00 +ATOM 26830 O WAT X8248 67.042 54.541 17.806 0.00 0.00 +ATOM 26831 H1 WAT X8248 66.598 55.238 17.323 0.00 0.00 +ATOM 26832 H2 WAT X8248 67.894 54.913 18.034 0.00 0.00 +ATOM 26833 O WAT X8249 8.690 10.927 44.980 0.00 0.00 +ATOM 26834 H1 WAT X8249 8.048 10.512 44.404 0.00 0.00 +ATOM 26835 H2 WAT X8249 9.503 10.450 44.815 0.00 0.00 +ATOM 26836 O WAT X8250 16.760 5.170 14.049 0.00 0.00 +ATOM 26837 H1 WAT X8250 17.388 4.960 13.358 0.00 0.00 +ATOM 26838 H2 WAT X8250 16.867 6.110 14.192 0.00 0.00 +ATOM 26839 O WAT X8251 62.086 8.771 55.309 0.00 0.00 +ATOM 26840 H1 WAT X8251 61.562 9.454 55.726 0.00 0.00 +ATOM 26841 H2 WAT X8251 61.490 8.358 54.685 0.00 0.00 +ATOM 26842 O WAT X8252 76.612 59.252 12.742 0.00 0.00 +ATOM 26843 H1 WAT X8252 76.887 58.750 13.509 0.00 0.00 +ATOM 26844 H2 WAT X8252 76.724 58.649 12.008 0.00 0.00 +ATOM 26845 O WAT X8253 57.821 14.985 54.753 0.00 0.00 +ATOM 26846 H1 WAT X8253 57.925 14.264 54.132 0.00 0.00 +ATOM 26847 H2 WAT X8253 57.814 14.563 55.612 0.00 0.00 +ATOM 26848 O WAT X8254 57.276 6.746 1.467 0.00 0.00 +ATOM 26849 H1 WAT X8254 56.761 7.532 1.648 0.00 0.00 +ATOM 26850 H2 WAT X8254 57.556 6.847 0.557 0.00 0.00 +ATOM 26851 O WAT X8255 18.192 41.123 58.315 0.00 0.00 +ATOM 26852 H1 WAT X8255 18.917 40.909 57.727 0.00 0.00 +ATOM 26853 H2 WAT X8255 18.586 41.132 59.187 0.00 0.00 +ATOM 26854 O WAT X8256 57.667 53.798 30.170 0.00 0.00 +ATOM 26855 H1 WAT X8256 57.422 53.841 29.245 0.00 0.00 +ATOM 26856 H2 WAT X8256 58.557 53.447 30.166 0.00 0.00 +ATOM 26857 O WAT X8257 39.374 54.138 54.628 0.00 0.00 +ATOM 26858 H1 WAT X8257 39.441 53.721 55.486 0.00 0.00 +ATOM 26859 H2 WAT X8257 39.404 53.412 54.005 0.00 0.00 +ATOM 26860 O WAT X8258 65.900 10.212 13.830 0.00 0.00 +ATOM 26861 H1 WAT X8258 66.215 9.326 13.649 0.00 0.00 +ATOM 26862 H2 WAT X8258 65.283 10.396 13.122 0.00 0.00 +ATOM 26863 O WAT X8259 63.561 10.582 53.824 0.00 0.00 +ATOM 26864 H1 WAT X8259 63.145 9.898 54.349 0.00 0.00 +ATOM 26865 H2 WAT X8259 64.187 10.994 54.419 0.00 0.00 +ATOM 26866 O WAT X8260 25.847 48.562 37.821 0.00 0.00 +ATOM 26867 H1 WAT X8260 26.788 48.399 37.877 0.00 0.00 +ATOM 26868 H2 WAT X8260 25.541 48.517 38.727 0.00 0.00 +ATOM 26869 O WAT X8261 2.452 16.835 52.189 0.00 0.00 +ATOM 26870 H1 WAT X8261 1.676 16.449 51.784 0.00 0.00 +ATOM 26871 H2 WAT X8261 3.039 17.018 51.455 0.00 0.00 +ATOM 26872 O WAT X8262 65.639 52.957 33.222 0.00 0.00 +ATOM 26873 H1 WAT X8262 66.464 52.546 33.481 0.00 0.00 +ATOM 26874 H2 WAT X8262 65.348 53.424 34.006 0.00 0.00 +ATOM 26875 O WAT X8263 44.016 0.790 54.987 0.00 0.00 +ATOM 26876 H1 WAT X8263 43.165 0.830 55.424 0.00 0.00 +ATOM 26877 H2 WAT X8263 44.040 1.573 54.437 0.00 0.00 +ATOM 26878 O WAT X8264 15.439 7.866 25.481 0.00 0.00 +ATOM 26879 H1 WAT X8264 15.606 6.995 25.840 0.00 0.00 +ATOM 26880 H2 WAT X8264 16.148 8.408 25.827 0.00 0.00 +ATOM 26881 O WAT X8265 72.873 23.851 7.002 0.00 0.00 +ATOM 26882 H1 WAT X8265 73.314 24.463 7.591 0.00 0.00 +ATOM 26883 H2 WAT X8265 73.109 22.986 7.335 0.00 0.00 +ATOM 26884 O WAT X8266 5.116 44.693 57.557 0.00 0.00 +ATOM 26885 H1 WAT X8266 4.903 44.802 58.484 0.00 0.00 +ATOM 26886 H2 WAT X8266 4.847 45.517 57.151 0.00 0.00 +ATOM 26887 O WAT X8267 57.522 22.103 19.305 0.00 0.00 +ATOM 26888 H1 WAT X8267 57.004 22.239 20.098 0.00 0.00 +ATOM 26889 H2 WAT X8267 57.708 21.164 19.299 0.00 0.00 +ATOM 26890 O WAT X8268 63.510 7.002 42.483 0.00 0.00 +ATOM 26891 H1 WAT X8268 64.167 6.778 43.142 0.00 0.00 +ATOM 26892 H2 WAT X8268 62.705 6.591 42.798 0.00 0.00 +ATOM 26893 O WAT X8269 14.125 37.130 32.466 0.00 0.00 +ATOM 26894 H1 WAT X8269 13.351 36.636 32.734 0.00 0.00 +ATOM 26895 H2 WAT X8269 14.109 37.916 33.012 0.00 0.00 +ATOM 26896 O WAT X8270 0.965 27.062 1.959 0.00 0.00 +ATOM 26897 H1 WAT X8270 1.160 26.865 1.043 0.00 0.00 +ATOM 26898 H2 WAT X8270 0.060 27.373 1.950 0.00 0.00 +ATOM 26899 O WAT X8271 25.367 54.729 29.337 0.00 0.00 +ATOM 26900 H1 WAT X8271 26.147 54.227 29.100 0.00 0.00 +ATOM 26901 H2 WAT X8271 25.269 55.368 28.632 0.00 0.00 +ATOM 26902 O WAT X8272 54.061 5.256 47.166 0.00 0.00 +ATOM 26903 H1 WAT X8272 54.299 6.162 47.361 0.00 0.00 +ATOM 26904 H2 WAT X8272 54.855 4.754 47.352 0.00 0.00 +ATOM 26905 O WAT X8273 9.487 50.333 29.546 0.00 0.00 +ATOM 26906 H1 WAT X8273 10.096 49.596 29.543 0.00 0.00 +ATOM 26907 H2 WAT X8273 9.416 50.589 28.626 0.00 0.00 +ATOM 26908 O WAT X8274 74.342 59.400 21.507 0.00 0.00 +ATOM 26909 H1 WAT X8274 74.301 60.058 20.813 0.00 0.00 +ATOM 26910 H2 WAT X8274 74.154 59.887 22.310 0.00 0.00 +ATOM 26911 O WAT X8275 56.163 12.590 6.261 0.00 0.00 +ATOM 26912 H1 WAT X8275 56.239 11.833 6.841 0.00 0.00 +ATOM 26913 H2 WAT X8275 55.867 12.225 5.427 0.00 0.00 +ATOM 26914 O WAT X8276 34.341 49.394 50.117 0.00 0.00 +ATOM 26915 H1 WAT X8276 34.981 49.775 50.717 0.00 0.00 +ATOM 26916 H2 WAT X8276 34.865 49.049 49.394 0.00 0.00 +ATOM 26917 O WAT X8277 50.900 3.438 28.922 0.00 0.00 +ATOM 26918 H1 WAT X8277 50.846 3.250 29.859 0.00 0.00 +ATOM 26919 H2 WAT X8277 51.834 3.565 28.757 0.00 0.00 +ATOM 26920 O WAT X8278 77.657 32.798 45.020 0.00 0.00 +ATOM 26921 H1 WAT X8278 77.308 31.918 44.876 0.00 0.00 +ATOM 26922 H2 WAT X8278 78.506 32.794 44.580 0.00 0.00 +ATOM 26923 O WAT X8279 17.541 26.656 7.839 0.00 0.00 +ATOM 26924 H1 WAT X8279 18.444 26.346 7.899 0.00 0.00 +ATOM 26925 H2 WAT X8279 17.429 27.220 8.604 0.00 0.00 +ATOM 26926 O WAT X8280 24.211 61.026 55.283 0.00 0.00 +ATOM 26927 H1 WAT X8280 24.580 61.737 55.806 0.00 0.00 +ATOM 26928 H2 WAT X8280 23.696 60.513 55.906 0.00 0.00 +ATOM 26929 O WAT X8281 22.956 19.498 42.966 0.00 0.00 +ATOM 26930 H1 WAT X8281 22.209 19.884 43.424 0.00 0.00 +ATOM 26931 H2 WAT X8281 23.544 20.235 42.803 0.00 0.00 +ATOM 26932 O WAT X8282 5.732 58.376 54.262 0.00 0.00 +ATOM 26933 H1 WAT X8282 5.707 58.879 55.076 0.00 0.00 +ATOM 26934 H2 WAT X8282 5.355 58.962 53.606 0.00 0.00 +ATOM 26935 O WAT X8283 66.508 17.446 33.885 0.00 0.00 +ATOM 26936 H1 WAT X8283 66.750 18.360 33.736 0.00 0.00 +ATOM 26937 H2 WAT X8283 65.622 17.373 33.532 0.00 0.00 +ATOM 26938 O WAT X8284 41.308 59.152 8.716 0.00 0.00 +ATOM 26939 H1 WAT X8284 42.239 59.318 8.868 0.00 0.00 +ATOM 26940 H2 WAT X8284 41.215 58.205 8.815 0.00 0.00 +ATOM 26941 O WAT X8285 37.232 11.698 5.251 0.00 0.00 +ATOM 26942 H1 WAT X8285 37.180 12.644 5.386 0.00 0.00 +ATOM 26943 H2 WAT X8285 37.339 11.335 6.131 0.00 0.00 +ATOM 26944 O WAT X8286 4.137 56.743 15.344 0.00 0.00 +ATOM 26945 H1 WAT X8286 3.925 56.055 15.974 0.00 0.00 +ATOM 26946 H2 WAT X8286 3.657 57.511 15.656 0.00 0.00 +ATOM 26947 O WAT X8287 58.128 51.521 7.330 0.00 0.00 +ATOM 26948 H1 WAT X8287 58.256 51.397 6.389 0.00 0.00 +ATOM 26949 H2 WAT X8287 58.771 52.187 7.574 0.00 0.00 +ATOM 26950 O WAT X8288 15.643 9.795 50.727 0.00 0.00 +ATOM 26951 H1 WAT X8288 15.223 9.153 50.155 0.00 0.00 +ATOM 26952 H2 WAT X8288 15.104 10.581 50.642 0.00 0.00 +ATOM 26953 O WAT X8289 6.923 35.523 44.426 0.00 0.00 +ATOM 26954 H1 WAT X8289 6.656 34.862 45.064 0.00 0.00 +ATOM 26955 H2 WAT X8289 7.875 35.432 44.371 0.00 0.00 +ATOM 26956 O WAT X8290 7.128 13.156 14.359 0.00 0.00 +ATOM 26957 H1 WAT X8290 7.463 12.469 13.783 0.00 0.00 +ATOM 26958 H2 WAT X8290 6.362 13.501 13.900 0.00 0.00 +ATOM 26959 O WAT X8291 53.801 43.750 53.274 0.00 0.00 +ATOM 26960 H1 WAT X8291 53.696 42.929 52.793 0.00 0.00 +ATOM 26961 H2 WAT X8291 54.527 44.194 52.835 0.00 0.00 +ATOM 26962 O WAT X8292 69.315 52.547 52.786 0.00 0.00 +ATOM 26963 H1 WAT X8292 68.542 52.012 52.607 0.00 0.00 +ATOM 26964 H2 WAT X8292 69.718 52.137 53.552 0.00 0.00 +ATOM 26965 O WAT X8293 36.647 10.176 38.191 0.00 0.00 +ATOM 26966 H1 WAT X8293 37.337 10.684 38.617 0.00 0.00 +ATOM 26967 H2 WAT X8293 36.204 9.724 38.909 0.00 0.00 +ATOM 26968 O WAT X8294 64.492 29.339 58.525 0.00 0.00 +ATOM 26969 H1 WAT X8294 64.438 28.943 57.656 0.00 0.00 +ATOM 26970 H2 WAT X8294 63.752 29.945 58.558 0.00 0.00 +ATOM 26971 O WAT X8295 32.479 4.788 35.332 0.00 0.00 +ATOM 26972 H1 WAT X8295 32.249 4.173 36.029 0.00 0.00 +ATOM 26973 H2 WAT X8295 32.810 5.559 35.792 0.00 0.00 +ATOM 26974 O WAT X8296 13.602 6.839 38.900 0.00 0.00 +ATOM 26975 H1 WAT X8296 13.614 7.606 38.327 0.00 0.00 +ATOM 26976 H2 WAT X8296 14.508 6.531 38.906 0.00 0.00 +ATOM 26977 O WAT X8297 65.014 17.281 55.907 0.00 0.00 +ATOM 26978 H1 WAT X8297 65.515 16.466 55.951 0.00 0.00 +ATOM 26979 H2 WAT X8297 64.177 17.026 55.518 0.00 0.00 +ATOM 26980 O WAT X8298 1.110 27.237 51.505 0.00 0.00 +ATOM 26981 H1 WAT X8298 0.967 28.181 51.568 0.00 0.00 +ATOM 26982 H2 WAT X8298 0.481 26.943 50.846 0.00 0.00 +ATOM 26983 O WAT X8299 67.729 19.323 5.834 0.00 0.00 +ATOM 26984 H1 WAT X8299 67.669 19.198 4.887 0.00 0.00 +ATOM 26985 H2 WAT X8299 68.667 19.284 6.021 0.00 0.00 +ATOM 26986 O WAT X8300 48.560 26.587 0.654 0.00 0.00 +ATOM 26987 H1 WAT X8300 49.500 26.427 0.741 0.00 0.00 +ATOM 26988 H2 WAT X8300 48.396 27.351 1.207 0.00 0.00 +ATOM 26989 O WAT X8301 16.928 4.501 54.566 0.00 0.00 +ATOM 26990 H1 WAT X8301 17.843 4.521 54.287 0.00 0.00 +ATOM 26991 H2 WAT X8301 16.445 4.225 53.787 0.00 0.00 +ATOM 26992 O WAT X8302 72.230 19.134 34.933 0.00 0.00 +ATOM 26993 H1 WAT X8302 72.449 19.047 35.860 0.00 0.00 +ATOM 26994 H2 WAT X8302 73.075 19.123 34.484 0.00 0.00 +ATOM 26995 O WAT X8303 8.539 33.457 14.907 0.00 0.00 +ATOM 26996 H1 WAT X8303 8.067 32.626 14.859 0.00 0.00 +ATOM 26997 H2 WAT X8303 8.336 33.798 15.778 0.00 0.00 +ATOM 26998 O WAT X8304 5.651 43.424 17.307 0.00 0.00 +ATOM 26999 H1 WAT X8304 6.307 43.814 17.884 0.00 0.00 +ATOM 27000 H2 WAT X8304 6.011 43.535 16.426 0.00 0.00 +ATOM 27001 O WAT X8305 14.989 0.081 6.749 0.00 0.00 +ATOM 27002 H1 WAT X8305 14.796 0.787 6.132 0.00 0.00 +ATOM 27003 H2 WAT X8305 15.475 -0.562 6.234 0.00 0.00 +ATOM 27004 O WAT X8306 61.551 3.136 31.208 0.00 0.00 +ATOM 27005 H1 WAT X8306 62.177 2.971 31.913 0.00 0.00 +ATOM 27006 H2 WAT X8306 61.833 2.560 30.497 0.00 0.00 +ATOM 27007 O WAT X8307 12.143 53.088 40.383 0.00 0.00 +ATOM 27008 H1 WAT X8307 12.705 53.864 40.386 0.00 0.00 +ATOM 27009 H2 WAT X8307 12.022 52.878 41.309 0.00 0.00 +ATOM 27010 O WAT X8308 28.916 12.431 24.737 0.00 0.00 +ATOM 27011 H1 WAT X8308 28.572 11.617 25.104 0.00 0.00 +ATOM 27012 H2 WAT X8308 29.639 12.153 24.174 0.00 0.00 +ATOM 27013 O WAT X8309 27.492 20.194 19.248 0.00 0.00 +ATOM 27014 H1 WAT X8309 26.608 20.474 19.487 0.00 0.00 +ATOM 27015 H2 WAT X8309 28.053 20.566 19.929 0.00 0.00 +ATOM 27016 O WAT X8310 6.246 10.197 46.474 0.00 0.00 +ATOM 27017 H1 WAT X8310 7.193 10.274 46.590 0.00 0.00 +ATOM 27018 H2 WAT X8310 5.913 10.001 47.350 0.00 0.00 +ATOM 27019 O WAT X8311 15.659 59.326 43.944 0.00 0.00 +ATOM 27020 H1 WAT X8311 15.735 59.794 44.776 0.00 0.00 +ATOM 27021 H2 WAT X8311 16.497 59.478 43.507 0.00 0.00 +ATOM 27022 O WAT X8312 14.000 15.915 39.485 0.00 0.00 +ATOM 27023 H1 WAT X8312 14.613 16.479 39.955 0.00 0.00 +ATOM 27024 H2 WAT X8312 13.642 16.473 38.795 0.00 0.00 +ATOM 27025 O WAT X8313 6.463 58.765 28.139 0.00 0.00 +ATOM 27026 H1 WAT X8313 6.971 58.371 27.430 0.00 0.00 +ATOM 27027 H2 WAT X8313 5.661 58.244 28.176 0.00 0.00 +ATOM 27028 O WAT X8314 66.367 27.012 0.189 0.00 0.00 +ATOM 27029 H1 WAT X8314 67.137 27.364 -0.258 0.00 0.00 +ATOM 27030 H2 WAT X8314 65.978 27.769 0.627 0.00 0.00 +ATOM 27031 O WAT X8315 12.011 31.149 42.384 0.00 0.00 +ATOM 27032 H1 WAT X8315 11.535 30.639 41.729 0.00 0.00 +ATOM 27033 H2 WAT X8315 11.956 32.052 42.072 0.00 0.00 +ATOM 27034 O WAT X8316 70.827 43.566 26.333 0.00 0.00 +ATOM 27035 H1 WAT X8316 70.580 44.399 25.930 0.00 0.00 +ATOM 27036 H2 WAT X8316 71.708 43.392 26.002 0.00 0.00 +ATOM 27037 O WAT X8317 31.488 53.525 31.480 0.00 0.00 +ATOM 27038 H1 WAT X8317 32.117 52.844 31.718 0.00 0.00 +ATOM 27039 H2 WAT X8317 30.834 53.501 32.179 0.00 0.00 +ATOM 27040 O WAT X8318 5.466 38.299 16.620 0.00 0.00 +ATOM 27041 H1 WAT X8318 4.773 38.674 16.076 0.00 0.00 +ATOM 27042 H2 WAT X8318 5.845 37.606 16.079 0.00 0.00 +ATOM 27043 O WAT X8319 69.136 17.083 37.772 0.00 0.00 +ATOM 27044 H1 WAT X8319 69.895 17.484 38.195 0.00 0.00 +ATOM 27045 H2 WAT X8319 68.875 16.380 38.367 0.00 0.00 +ATOM 27046 O WAT X8320 58.123 7.533 13.240 0.00 0.00 +ATOM 27047 H1 WAT X8320 58.300 7.480 14.179 0.00 0.00 +ATOM 27048 H2 WAT X8320 58.126 6.623 12.943 0.00 0.00 +ATOM 27049 O WAT X8321 61.906 29.867 50.395 0.00 0.00 +ATOM 27050 H1 WAT X8321 61.758 30.812 50.362 0.00 0.00 +ATOM 27051 H2 WAT X8321 62.604 29.757 51.041 0.00 0.00 +ATOM 27052 O WAT X8322 17.160 51.090 44.124 0.00 0.00 +ATOM 27053 H1 WAT X8322 16.674 50.286 44.310 0.00 0.00 +ATOM 27054 H2 WAT X8322 17.928 51.043 44.694 0.00 0.00 +ATOM 27055 O WAT X8323 70.809 6.318 22.275 0.00 0.00 +ATOM 27056 H1 WAT X8323 69.865 6.416 22.397 0.00 0.00 +ATOM 27057 H2 WAT X8323 70.928 5.390 22.069 0.00 0.00 +ATOM 27058 O WAT X8324 21.883 15.961 54.444 0.00 0.00 +ATOM 27059 H1 WAT X8324 22.527 15.386 54.028 0.00 0.00 +ATOM 27060 H2 WAT X8324 21.982 15.792 55.381 0.00 0.00 +ATOM 27061 O WAT X8325 63.321 61.364 55.634 0.00 0.00 +ATOM 27062 H1 WAT X8325 63.004 60.463 55.572 0.00 0.00 +ATOM 27063 H2 WAT X8325 64.006 61.332 56.302 0.00 0.00 +ATOM 27064 O WAT X8326 0.468 10.461 49.728 0.00 0.00 +ATOM 27065 H1 WAT X8326 0.060 10.499 48.863 0.00 0.00 +ATOM 27066 H2 WAT X8326 0.196 9.616 50.085 0.00 0.00 +ATOM 27067 O WAT X8327 35.728 6.507 57.813 0.00 0.00 +ATOM 27068 H1 WAT X8327 36.617 6.720 58.098 0.00 0.00 +ATOM 27069 H2 WAT X8327 35.272 7.349 57.800 0.00 0.00 +ATOM 27070 O WAT X8328 65.919 55.475 44.856 0.00 0.00 +ATOM 27071 H1 WAT X8328 66.775 55.064 44.980 0.00 0.00 +ATOM 27072 H2 WAT X8328 65.299 54.859 45.247 0.00 0.00 +ATOM 27073 O WAT X8329 41.127 58.783 12.356 0.00 0.00 +ATOM 27074 H1 WAT X8329 40.256 58.735 12.750 0.00 0.00 +ATOM 27075 H2 WAT X8329 41.207 59.689 12.060 0.00 0.00 +ATOM 27076 O WAT X8330 7.059 50.682 39.351 0.00 0.00 +ATOM 27077 H1 WAT X8330 6.419 51.055 38.745 0.00 0.00 +ATOM 27078 H2 WAT X8330 7.535 50.036 38.829 0.00 0.00 +ATOM 27079 O WAT X8331 2.546 9.034 42.939 0.00 0.00 +ATOM 27080 H1 WAT X8331 2.564 9.086 43.894 0.00 0.00 +ATOM 27081 H2 WAT X8331 2.865 9.888 42.646 0.00 0.00 +ATOM 27082 O WAT X8332 16.795 51.576 37.630 0.00 0.00 +ATOM 27083 H1 WAT X8332 16.847 51.999 38.487 0.00 0.00 +ATOM 27084 H2 WAT X8332 15.942 51.838 37.284 0.00 0.00 +ATOM 27085 O WAT X8333 33.050 41.654 49.887 0.00 0.00 +ATOM 27086 H1 WAT X8333 32.977 42.514 50.301 0.00 0.00 +ATOM 27087 H2 WAT X8333 32.494 41.715 49.110 0.00 0.00 +ATOM 27088 O WAT X8334 40.810 58.989 54.385 0.00 0.00 +ATOM 27089 H1 WAT X8334 40.679 58.263 53.775 0.00 0.00 +ATOM 27090 H2 WAT X8334 41.124 58.573 55.188 0.00 0.00 +ATOM 27091 O WAT X8335 16.138 20.336 12.849 0.00 0.00 +ATOM 27092 H1 WAT X8335 16.822 19.680 12.714 0.00 0.00 +ATOM 27093 H2 WAT X8335 15.475 20.131 12.190 0.00 0.00 +ATOM 27094 O WAT X8336 62.475 7.818 12.458 0.00 0.00 +ATOM 27095 H1 WAT X8336 62.798 8.718 12.491 0.00 0.00 +ATOM 27096 H2 WAT X8336 61.525 7.907 12.375 0.00 0.00 +ATOM 27097 O WAT X8337 27.179 45.995 22.183 0.00 0.00 +ATOM 27098 H1 WAT X8337 28.028 46.328 21.893 0.00 0.00 +ATOM 27099 H2 WAT X8337 26.968 46.519 22.956 0.00 0.00 +ATOM 27100 O WAT X8338 67.064 15.488 54.223 0.00 0.00 +ATOM 27101 H1 WAT X8338 67.158 14.977 55.027 0.00 0.00 +ATOM 27102 H2 WAT X8338 67.820 15.239 53.691 0.00 0.00 +ATOM 27103 O WAT X8339 59.460 45.997 53.766 0.00 0.00 +ATOM 27104 H1 WAT X8339 59.897 45.292 54.243 0.00 0.00 +ATOM 27105 H2 WAT X8339 60.150 46.382 53.225 0.00 0.00 +ATOM 27106 O WAT X8340 39.461 50.696 40.831 0.00 0.00 +ATOM 27107 H1 WAT X8340 39.176 50.298 40.008 0.00 0.00 +ATOM 27108 H2 WAT X8340 40.249 51.188 40.598 0.00 0.00 +ATOM 27109 O WAT X8341 15.006 36.439 8.143 0.00 0.00 +ATOM 27110 H1 WAT X8341 14.792 35.508 8.198 0.00 0.00 +ATOM 27111 H2 WAT X8341 14.163 36.870 8.002 0.00 0.00 +ATOM 27112 O WAT X8342 43.536 35.081 11.303 0.00 0.00 +ATOM 27113 H1 WAT X8342 42.868 35.682 11.631 0.00 0.00 +ATOM 27114 H2 WAT X8342 44.004 34.792 12.087 0.00 0.00 +ATOM 27115 O WAT X8343 43.070 57.287 17.867 0.00 0.00 +ATOM 27116 H1 WAT X8343 42.365 57.838 18.206 0.00 0.00 +ATOM 27117 H2 WAT X8343 43.248 57.635 16.994 0.00 0.00 +ATOM 27118 O WAT X8344 19.692 12.742 13.170 0.00 0.00 +ATOM 27119 H1 WAT X8344 18.804 12.969 13.447 0.00 0.00 +ATOM 27120 H2 WAT X8344 19.584 11.944 12.652 0.00 0.00 +ATOM 27121 O WAT X8345 69.367 37.380 31.699 0.00 0.00 +ATOM 27122 H1 WAT X8345 69.672 38.256 31.935 0.00 0.00 +ATOM 27123 H2 WAT X8345 69.027 37.476 30.809 0.00 0.00 +ATOM 27124 O WAT X8346 26.717 32.399 40.944 0.00 0.00 +ATOM 27125 H1 WAT X8346 27.103 33.019 40.326 0.00 0.00 +ATOM 27126 H2 WAT X8346 25.774 32.465 40.790 0.00 0.00 +ATOM 27127 O WAT X8347 76.781 42.407 53.091 0.00 0.00 +ATOM 27128 H1 WAT X8347 75.843 42.594 53.135 0.00 0.00 +ATOM 27129 H2 WAT X8347 76.854 41.486 53.341 0.00 0.00 +ATOM 27130 O WAT X8348 71.096 10.978 58.499 0.00 0.00 +ATOM 27131 H1 WAT X8348 70.650 11.809 58.664 0.00 0.00 +ATOM 27132 H2 WAT X8348 70.473 10.471 57.979 0.00 0.00 +ATOM 27133 O WAT X8349 1.915 55.110 35.788 0.00 0.00 +ATOM 27134 H1 WAT X8349 0.993 55.091 36.044 0.00 0.00 +ATOM 27135 H2 WAT X8349 2.117 56.041 35.690 0.00 0.00 +ATOM 27136 O WAT X8350 5.771 18.189 38.086 0.00 0.00 +ATOM 27137 H1 WAT X8350 5.067 17.583 38.317 0.00 0.00 +ATOM 27138 H2 WAT X8350 6.314 18.237 38.872 0.00 0.00 +ATOM 27139 O WAT X8351 68.145 38.461 13.524 0.00 0.00 +ATOM 27140 H1 WAT X8351 68.250 38.602 14.464 0.00 0.00 +ATOM 27141 H2 WAT X8351 67.610 39.198 13.229 0.00 0.00 +ATOM 27142 O WAT X8352 68.703 52.027 30.197 0.00 0.00 +ATOM 27143 H1 WAT X8352 69.111 51.171 30.321 0.00 0.00 +ATOM 27144 H2 WAT X8352 69.096 52.580 30.873 0.00 0.00 +ATOM 27145 O WAT X8353 76.790 7.432 30.045 0.00 0.00 +ATOM 27146 H1 WAT X8353 77.632 7.845 30.238 0.00 0.00 +ATOM 27147 H2 WAT X8353 76.256 8.137 29.678 0.00 0.00 +ATOM 27148 O WAT X8354 58.638 8.258 18.920 0.00 0.00 +ATOM 27149 H1 WAT X8354 58.487 9.203 18.896 0.00 0.00 +ATOM 27150 H2 WAT X8354 58.508 7.970 18.017 0.00 0.00 +ATOM 27151 O WAT X8355 24.549 34.727 13.392 0.00 0.00 +ATOM 27152 H1 WAT X8355 25.441 35.033 13.229 0.00 0.00 +ATOM 27153 H2 WAT X8355 24.634 33.777 13.476 0.00 0.00 +ATOM 27154 O WAT X8356 46.669 28.052 45.078 0.00 0.00 +ATOM 27155 H1 WAT X8356 45.799 27.979 44.685 0.00 0.00 +ATOM 27156 H2 WAT X8356 47.194 28.501 44.415 0.00 0.00 +ATOM 27157 O WAT X8357 15.660 0.367 33.258 0.00 0.00 +ATOM 27158 H1 WAT X8357 16.119 -0.095 32.557 0.00 0.00 +ATOM 27159 H2 WAT X8357 14.735 0.172 33.107 0.00 0.00 +ATOM 27160 O WAT X8358 50.238 7.754 30.055 0.00 0.00 +ATOM 27161 H1 WAT X8358 49.885 8.604 29.793 0.00 0.00 +ATOM 27162 H2 WAT X8358 51.188 7.865 30.010 0.00 0.00 +ATOM 27163 O WAT X8359 64.318 19.695 45.340 0.00 0.00 +ATOM 27164 H1 WAT X8359 64.647 20.583 45.478 0.00 0.00 +ATOM 27165 H2 WAT X8359 64.655 19.445 44.480 0.00 0.00 +ATOM 27166 O WAT X8360 40.459 35.833 55.713 0.00 0.00 +ATOM 27167 H1 WAT X8360 40.987 35.828 54.915 0.00 0.00 +ATOM 27168 H2 WAT X8360 39.736 35.234 55.526 0.00 0.00 +ATOM 27169 O WAT X8361 7.129 57.463 19.125 0.00 0.00 +ATOM 27170 H1 WAT X8361 7.923 57.324 18.608 0.00 0.00 +ATOM 27171 H2 WAT X8361 7.448 57.624 20.013 0.00 0.00 +ATOM 27172 O WAT X8362 67.308 42.116 6.019 0.00 0.00 +ATOM 27173 H1 WAT X8362 67.122 41.340 6.549 0.00 0.00 +ATOM 27174 H2 WAT X8362 66.968 41.900 5.151 0.00 0.00 +ATOM 27175 O WAT X8363 50.279 10.723 32.691 0.00 0.00 +ATOM 27176 H1 WAT X8363 49.468 10.221 32.778 0.00 0.00 +ATOM 27177 H2 WAT X8363 50.908 10.261 33.245 0.00 0.00 +ATOM 27178 O WAT X8364 55.967 33.683 1.674 0.00 0.00 +ATOM 27179 H1 WAT X8364 56.863 33.473 1.938 0.00 0.00 +ATOM 27180 H2 WAT X8364 56.067 34.359 1.004 0.00 0.00 +ATOM 27181 O WAT X8365 52.847 30.315 23.943 0.00 0.00 +ATOM 27182 H1 WAT X8365 53.059 31.234 23.778 0.00 0.00 +ATOM 27183 H2 WAT X8365 53.091 30.173 24.857 0.00 0.00 +ATOM 27184 O WAT X8366 62.772 58.908 55.015 0.00 0.00 +ATOM 27185 H1 WAT X8366 63.696 58.658 55.027 0.00 0.00 +ATOM 27186 H2 WAT X8366 62.300 58.075 54.998 0.00 0.00 +ATOM 27187 O WAT X8367 67.719 56.962 14.921 0.00 0.00 +ATOM 27188 H1 WAT X8367 68.110 57.277 15.736 0.00 0.00 +ATOM 27189 H2 WAT X8367 66.998 56.399 15.203 0.00 0.00 +ATOM 27190 O WAT X8368 28.945 13.706 51.839 0.00 0.00 +ATOM 27191 H1 WAT X8368 29.687 13.122 51.999 0.00 0.00 +ATOM 27192 H2 WAT X8368 28.544 13.826 52.700 0.00 0.00 +ATOM 27193 O WAT X8369 7.714 18.070 19.674 0.00 0.00 +ATOM 27194 H1 WAT X8369 8.289 18.806 19.462 0.00 0.00 +ATOM 27195 H2 WAT X8369 8.121 17.661 20.437 0.00 0.00 +ATOM 27196 O WAT X8370 0.654 18.633 29.450 0.00 0.00 +ATOM 27197 H1 WAT X8370 0.531 19.465 28.994 0.00 0.00 +ATOM 27198 H2 WAT X8370 -0.093 18.099 29.179 0.00 0.00 +ATOM 27199 O WAT X8371 16.720 48.855 37.299 0.00 0.00 +ATOM 27200 H1 WAT X8371 16.577 49.686 36.845 0.00 0.00 +ATOM 27201 H2 WAT X8371 17.431 49.037 37.914 0.00 0.00 +ATOM 27202 O WAT X8372 66.951 16.644 44.219 0.00 0.00 +ATOM 27203 H1 WAT X8372 67.203 17.237 44.927 0.00 0.00 +ATOM 27204 H2 WAT X8372 66.921 15.780 44.629 0.00 0.00 +ATOM 27205 O WAT X8373 1.977 28.166 42.898 0.00 0.00 +ATOM 27206 H1 WAT X8373 1.872 27.480 42.239 0.00 0.00 +ATOM 27207 H2 WAT X8373 2.562 27.783 43.552 0.00 0.00 +ATOM 27208 O WAT X8374 19.972 22.989 41.886 0.00 0.00 +ATOM 27209 H1 WAT X8374 19.445 23.242 41.128 0.00 0.00 +ATOM 27210 H2 WAT X8374 20.657 22.427 41.524 0.00 0.00 +ATOM 27211 O WAT X8375 60.439 8.022 52.883 0.00 0.00 +ATOM 27212 H1 WAT X8375 60.907 8.396 52.136 0.00 0.00 +ATOM 27213 H2 WAT X8375 60.256 7.119 52.623 0.00 0.00 +ATOM 27214 O WAT X8376 64.674 30.010 4.268 0.00 0.00 +ATOM 27215 H1 WAT X8376 65.399 29.813 3.675 0.00 0.00 +ATOM 27216 H2 WAT X8376 64.237 30.764 3.870 0.00 0.00 +ATOM 27217 O WAT X8377 13.882 55.322 51.011 0.00 0.00 +ATOM 27218 H1 WAT X8377 13.554 55.969 51.635 0.00 0.00 +ATOM 27219 H2 WAT X8377 14.276 55.843 50.311 0.00 0.00 +ATOM 27220 O WAT X8378 52.171 42.953 43.356 0.00 0.00 +ATOM 27221 H1 WAT X8378 51.364 43.116 43.844 0.00 0.00 +ATOM 27222 H2 WAT X8378 51.994 43.293 42.479 0.00 0.00 +ATOM 27223 O WAT X8379 44.749 0.746 25.935 0.00 0.00 +ATOM 27224 H1 WAT X8379 44.965 0.603 25.013 0.00 0.00 +ATOM 27225 H2 WAT X8379 44.598 1.689 26.002 0.00 0.00 +ATOM 27226 O WAT X8380 43.074 46.390 3.685 0.00 0.00 +ATOM 27227 H1 WAT X8380 42.837 45.568 4.114 0.00 0.00 +ATOM 27228 H2 WAT X8380 42.641 47.066 4.206 0.00 0.00 +ATOM 27229 O WAT X8381 50.948 7.977 43.956 0.00 0.00 +ATOM 27230 H1 WAT X8381 51.501 7.347 44.418 0.00 0.00 +ATOM 27231 H2 WAT X8381 51.390 8.818 44.078 0.00 0.00 +ATOM 27232 O WAT X8382 29.861 17.131 25.202 0.00 0.00 +ATOM 27233 H1 WAT X8382 29.776 16.502 25.919 0.00 0.00 +ATOM 27234 H2 WAT X8382 30.255 16.629 24.488 0.00 0.00 +ATOM 27235 O WAT X8383 21.076 41.512 13.220 0.00 0.00 +ATOM 27236 H1 WAT X8383 20.608 40.682 13.127 0.00 0.00 +ATOM 27237 H2 WAT X8383 21.264 41.783 12.322 0.00 0.00 +ATOM 27238 O WAT X8384 24.889 51.619 49.454 0.00 0.00 +ATOM 27239 H1 WAT X8384 24.404 50.866 49.116 0.00 0.00 +ATOM 27240 H2 WAT X8384 25.724 51.596 48.987 0.00 0.00 +ATOM 27241 O WAT X8385 25.153 25.683 44.598 0.00 0.00 +ATOM 27242 H1 WAT X8385 25.728 26.408 44.844 0.00 0.00 +ATOM 27243 H2 WAT X8385 24.544 26.065 43.966 0.00 0.00 +ATOM 27244 O WAT X8386 43.994 1.955 17.834 0.00 0.00 +ATOM 27245 H1 WAT X8386 44.248 2.809 18.185 0.00 0.00 +ATOM 27246 H2 WAT X8386 43.290 2.151 17.215 0.00 0.00 +ATOM 27247 O WAT X8387 75.677 36.571 55.338 0.00 0.00 +ATOM 27248 H1 WAT X8387 76.507 36.175 55.071 0.00 0.00 +ATOM 27249 H2 WAT X8387 75.838 37.513 55.299 0.00 0.00 +ATOM 27250 O WAT X8388 78.230 62.088 17.974 0.00 0.00 +ATOM 27251 H1 WAT X8388 77.686 62.182 17.192 0.00 0.00 +ATOM 27252 H2 WAT X8388 77.804 62.640 18.630 0.00 0.00 +ATOM 27253 O WAT X8389 27.435 6.508 49.381 0.00 0.00 +ATOM 27254 H1 WAT X8389 27.426 5.833 48.702 0.00 0.00 +ATOM 27255 H2 WAT X8389 28.294 6.420 49.795 0.00 0.00 +ATOM 27256 O WAT X8390 41.744 0.553 24.967 0.00 0.00 +ATOM 27257 H1 WAT X8390 41.672 0.394 25.908 0.00 0.00 +ATOM 27258 H2 WAT X8390 42.675 0.436 24.775 0.00 0.00 +ATOM 27259 O WAT X8391 72.180 7.456 44.662 0.00 0.00 +ATOM 27260 H1 WAT X8391 72.582 8.154 44.145 0.00 0.00 +ATOM 27261 H2 WAT X8391 72.127 7.814 45.548 0.00 0.00 +ATOM 27262 O WAT X8392 42.904 10.254 32.645 0.00 0.00 +ATOM 27263 H1 WAT X8392 43.077 10.004 33.552 0.00 0.00 +ATOM 27264 H2 WAT X8392 42.083 9.813 32.427 0.00 0.00 +ATOM 27265 O WAT X8393 62.291 37.902 20.439 0.00 0.00 +ATOM 27266 H1 WAT X8393 61.517 38.302 20.042 0.00 0.00 +ATOM 27267 H2 WAT X8393 63.027 38.399 20.083 0.00 0.00 +ATOM 27268 O WAT X8394 77.778 44.108 26.602 0.00 0.00 +ATOM 27269 H1 WAT X8394 78.178 44.842 27.068 0.00 0.00 +ATOM 27270 H2 WAT X8394 76.942 44.450 26.287 0.00 0.00 +ATOM 27271 O WAT X8395 19.301 8.121 17.513 0.00 0.00 +ATOM 27272 H1 WAT X8395 18.809 8.457 16.764 0.00 0.00 +ATOM 27273 H2 WAT X8395 18.986 7.224 17.623 0.00 0.00 +ATOM 27274 O WAT X8396 15.404 24.517 50.050 0.00 0.00 +ATOM 27275 H1 WAT X8396 14.584 24.063 50.246 0.00 0.00 +ATOM 27276 H2 WAT X8396 15.351 24.715 49.115 0.00 0.00 +ATOM 27277 O WAT X8397 7.648 51.418 31.558 0.00 0.00 +ATOM 27278 H1 WAT X8397 6.845 50.905 31.471 0.00 0.00 +ATOM 27279 H2 WAT X8397 8.174 51.170 30.798 0.00 0.00 +ATOM 27280 O WAT X8398 9.634 41.578 39.981 0.00 0.00 +ATOM 27281 H1 WAT X8398 10.566 41.768 39.874 0.00 0.00 +ATOM 27282 H2 WAT X8398 9.297 42.315 40.491 0.00 0.00 +ATOM 27283 O WAT X8399 77.128 10.570 47.322 0.00 0.00 +ATOM 27284 H1 WAT X8399 77.542 10.759 46.480 0.00 0.00 +ATOM 27285 H2 WAT X8399 76.519 11.296 47.459 0.00 0.00 +ATOM 27286 O WAT X8400 21.874 2.147 56.652 0.00 0.00 +ATOM 27287 H1 WAT X8400 21.760 2.949 56.142 0.00 0.00 +ATOM 27288 H2 WAT X8400 21.385 1.482 56.166 0.00 0.00 +ATOM 27289 O WAT X8401 5.896 1.293 10.946 0.00 0.00 +ATOM 27290 H1 WAT X8401 6.065 2.189 10.655 0.00 0.00 +ATOM 27291 H2 WAT X8401 5.351 0.916 10.255 0.00 0.00 +ATOM 27292 O WAT X8402 65.475 43.476 34.487 0.00 0.00 +ATOM 27293 H1 WAT X8402 65.265 44.366 34.768 0.00 0.00 +ATOM 27294 H2 WAT X8402 66.378 43.341 34.776 0.00 0.00 +ATOM 27295 O WAT X8403 4.409 42.321 6.386 0.00 0.00 +ATOM 27296 H1 WAT X8403 3.985 41.479 6.218 0.00 0.00 +ATOM 27297 H2 WAT X8403 3.855 42.961 5.939 0.00 0.00 +ATOM 27298 O WAT X8404 77.190 50.705 19.291 0.00 0.00 +ATOM 27299 H1 WAT X8404 77.626 49.955 18.887 0.00 0.00 +ATOM 27300 H2 WAT X8404 76.270 50.446 19.346 0.00 0.00 +ATOM 27301 O WAT X8405 7.874 22.945 16.902 0.00 0.00 +ATOM 27302 H1 WAT X8405 7.811 23.838 17.243 0.00 0.00 +ATOM 27303 H2 WAT X8405 8.056 22.407 17.672 0.00 0.00 +ATOM 27304 O WAT X8406 71.568 60.679 42.167 0.00 0.00 +ATOM 27305 H1 WAT X8406 71.846 60.178 41.400 0.00 0.00 +ATOM 27306 H2 WAT X8406 71.509 61.582 41.855 0.00 0.00 +ATOM 27307 O WAT X8407 24.792 33.722 5.250 0.00 0.00 +ATOM 27308 H1 WAT X8407 25.185 32.859 5.117 0.00 0.00 +ATOM 27309 H2 WAT X8407 24.171 33.594 5.968 0.00 0.00 +ATOM 27310 O WAT X8408 25.217 6.124 51.190 0.00 0.00 +ATOM 27311 H1 WAT X8408 24.715 5.388 50.842 0.00 0.00 +ATOM 27312 H2 WAT X8408 26.047 6.095 50.713 0.00 0.00 +ATOM 27313 O WAT X8409 47.924 7.465 48.714 0.00 0.00 +ATOM 27314 H1 WAT X8409 47.992 6.916 49.495 0.00 0.00 +ATOM 27315 H2 WAT X8409 47.045 7.292 48.375 0.00 0.00 +ATOM 27316 O WAT X8410 62.027 51.189 5.244 0.00 0.00 +ATOM 27317 H1 WAT X8410 62.531 50.700 5.895 0.00 0.00 +ATOM 27318 H2 WAT X8410 62.672 51.445 4.585 0.00 0.00 +ATOM 27319 O WAT X8411 40.793 51.784 3.718 0.00 0.00 +ATOM 27320 H1 WAT X8411 40.518 51.349 2.911 0.00 0.00 +ATOM 27321 H2 WAT X8411 40.339 52.627 3.702 0.00 0.00 +ATOM 27322 O WAT X8412 2.834 40.134 6.180 0.00 0.00 +ATOM 27323 H1 WAT X8412 2.227 39.909 5.475 0.00 0.00 +ATOM 27324 H2 WAT X8412 2.328 40.005 6.982 0.00 0.00 +ATOM 27325 O WAT X8413 2.330 45.447 2.117 0.00 0.00 +ATOM 27326 H1 WAT X8413 2.075 46.184 1.561 0.00 0.00 +ATOM 27327 H2 WAT X8413 1.530 45.216 2.589 0.00 0.00 +ATOM 27328 O WAT X8414 75.294 24.465 8.619 0.00 0.00 +ATOM 27329 H1 WAT X8414 76.145 24.063 8.795 0.00 0.00 +ATOM 27330 H2 WAT X8414 75.451 25.043 7.873 0.00 0.00 +ATOM 27331 O WAT X8415 16.253 13.563 11.238 0.00 0.00 +ATOM 27332 H1 WAT X8415 16.349 12.742 11.722 0.00 0.00 +ATOM 27333 H2 WAT X8415 15.932 13.297 10.376 0.00 0.00 +ATOM 27334 O WAT X8416 11.504 35.912 9.084 0.00 0.00 +ATOM 27335 H1 WAT X8416 11.668 36.090 8.158 0.00 0.00 +ATOM 27336 H2 WAT X8416 10.668 35.445 9.093 0.00 0.00 +ATOM 27337 O WAT X8417 11.877 28.821 56.180 0.00 0.00 +ATOM 27338 H1 WAT X8417 12.406 28.513 55.443 0.00 0.00 +ATOM 27339 H2 WAT X8417 12.466 28.772 56.933 0.00 0.00 +ATOM 27340 O WAT X8418 27.281 26.602 16.747 0.00 0.00 +ATOM 27341 H1 WAT X8418 27.455 27.293 17.386 0.00 0.00 +ATOM 27342 H2 WAT X8418 27.068 27.071 15.940 0.00 0.00 +ATOM 27343 O WAT X8419 48.635 41.096 41.145 0.00 0.00 +ATOM 27344 H1 WAT X8419 47.903 41.447 41.653 0.00 0.00 +ATOM 27345 H2 WAT X8419 49.014 41.859 40.710 0.00 0.00 +ATOM 27346 O WAT X8420 0.963 31.978 41.601 0.00 0.00 +ATOM 27347 H1 WAT X8420 0.247 32.612 41.560 0.00 0.00 +ATOM 27348 H2 WAT X8420 0.754 31.337 40.921 0.00 0.00 +ATOM 27349 O WAT X8421 12.062 57.824 40.643 0.00 0.00 +ATOM 27350 H1 WAT X8421 12.960 57.766 40.969 0.00 0.00 +ATOM 27351 H2 WAT X8421 11.965 58.737 40.371 0.00 0.00 +ATOM 27352 O WAT X8422 16.944 26.319 52.702 0.00 0.00 +ATOM 27353 H1 WAT X8422 17.749 26.837 52.687 0.00 0.00 +ATOM 27354 H2 WAT X8422 16.754 26.199 53.633 0.00 0.00 +ATOM 27355 O WAT X8423 5.003 53.846 2.700 0.00 0.00 +ATOM 27356 H1 WAT X8423 5.214 52.913 2.653 0.00 0.00 +ATOM 27357 H2 WAT X8423 4.184 53.931 2.212 0.00 0.00 +ATOM 27358 O WAT X8424 0.569 46.633 27.583 0.00 0.00 +ATOM 27359 H1 WAT X8424 0.723 46.339 28.481 0.00 0.00 +ATOM 27360 H2 WAT X8424 -0.185 47.219 27.649 0.00 0.00 +ATOM 27361 O WAT X8425 19.041 0.306 2.576 0.00 0.00 +ATOM 27362 H1 WAT X8425 18.386 1.003 2.579 0.00 0.00 +ATOM 27363 H2 WAT X8425 19.829 0.716 2.932 0.00 0.00 +ATOM 27364 O WAT X8426 37.455 48.467 56.180 0.00 0.00 +ATOM 27365 H1 WAT X8426 37.380 48.225 55.257 0.00 0.00 +ATOM 27366 H2 WAT X8426 37.411 47.635 56.650 0.00 0.00 +ATOM 27367 O WAT X8427 42.354 56.130 33.310 0.00 0.00 +ATOM 27368 H1 WAT X8427 42.582 55.962 32.395 0.00 0.00 +ATOM 27369 H2 WAT X8427 42.228 57.078 33.355 0.00 0.00 +ATOM 27370 O WAT X8428 31.180 8.471 19.932 0.00 0.00 +ATOM 27371 H1 WAT X8428 31.871 9.108 19.751 0.00 0.00 +ATOM 27372 H2 WAT X8428 30.370 8.980 19.899 0.00 0.00 +ATOM 27373 O WAT X8429 39.350 25.123 9.674 0.00 0.00 +ATOM 27374 H1 WAT X8429 39.016 25.780 9.063 0.00 0.00 +ATOM 27375 H2 WAT X8429 40.210 24.887 9.326 0.00 0.00 +ATOM 27376 O WAT X8430 8.874 14.283 10.373 0.00 0.00 +ATOM 27377 H1 WAT X8430 9.380 13.474 10.306 0.00 0.00 +ATOM 27378 H2 WAT X8430 8.078 14.031 10.841 0.00 0.00 +ATOM 27379 O WAT X8431 45.604 8.611 50.181 0.00 0.00 +ATOM 27380 H1 WAT X8431 46.277 8.105 50.636 0.00 0.00 +ATOM 27381 H2 WAT X8431 45.331 8.048 49.457 0.00 0.00 +ATOM 27382 O WAT X8432 19.719 53.374 19.955 0.00 0.00 +ATOM 27383 H1 WAT X8432 20.197 52.940 19.248 0.00 0.00 +ATOM 27384 H2 WAT X8432 19.161 52.690 20.322 0.00 0.00 +ATOM 27385 O WAT X8433 14.450 31.628 18.528 0.00 0.00 +ATOM 27386 H1 WAT X8433 13.538 31.529 18.257 0.00 0.00 +ATOM 27387 H2 WAT X8433 14.408 31.734 19.478 0.00 0.00 +ATOM 27388 O WAT X8434 13.313 12.311 -0.233 0.00 0.00 +ATOM 27389 H1 WAT X8434 14.262 12.187 -0.221 0.00 0.00 +ATOM 27390 H2 WAT X8434 12.988 11.739 0.462 0.00 0.00 +ATOM 27391 O WAT X8435 70.299 34.440 53.198 0.00 0.00 +ATOM 27392 H1 WAT X8435 69.647 35.099 52.962 0.00 0.00 +ATOM 27393 H2 WAT X8435 70.665 34.155 52.360 0.00 0.00 +ATOM 27394 O WAT X8436 60.819 47.602 15.493 0.00 0.00 +ATOM 27395 H1 WAT X8436 61.003 48.368 16.036 0.00 0.00 +ATOM 27396 H2 WAT X8436 61.187 47.821 14.637 0.00 0.00 +ATOM 27397 O WAT X8437 68.983 26.098 1.682 0.00 0.00 +ATOM 27398 H1 WAT X8437 68.863 26.732 2.390 0.00 0.00 +ATOM 27399 H2 WAT X8437 68.124 25.688 1.580 0.00 0.00 +ATOM 27400 O WAT X8438 55.444 44.964 1.525 0.00 0.00 +ATOM 27401 H1 WAT X8438 54.596 44.588 1.762 0.00 0.00 +ATOM 27402 H2 WAT X8438 56.076 44.489 2.065 0.00 0.00 +ATOM 27403 O WAT X8439 17.561 29.056 16.191 0.00 0.00 +ATOM 27404 H1 WAT X8439 18.130 28.725 16.886 0.00 0.00 +ATOM 27405 H2 WAT X8439 17.027 28.303 15.939 0.00 0.00 +ATOM 27406 O WAT X8440 77.422 26.819 8.932 0.00 0.00 +ATOM 27407 H1 WAT X8440 76.559 26.993 9.307 0.00 0.00 +ATOM 27408 H2 WAT X8440 77.238 26.474 8.058 0.00 0.00 +ATOM 27409 O WAT X8441 21.011 17.159 28.677 0.00 0.00 +ATOM 27410 H1 WAT X8441 20.713 17.932 29.157 0.00 0.00 +ATOM 27411 H2 WAT X8441 20.205 16.743 28.369 0.00 0.00 +ATOM 27412 O WAT X8442 66.315 50.796 53.350 0.00 0.00 +ATOM 27413 H1 WAT X8442 65.491 50.755 52.866 0.00 0.00 +ATOM 27414 H2 WAT X8442 66.156 51.441 54.040 0.00 0.00 +ATOM 27415 O WAT X8443 16.199 53.878 6.678 0.00 0.00 +ATOM 27416 H1 WAT X8443 16.097 52.937 6.826 0.00 0.00 +ATOM 27417 H2 WAT X8443 16.913 53.945 6.044 0.00 0.00 +ATOM 27418 O WAT X8444 56.576 31.136 57.427 0.00 0.00 +ATOM 27419 H1 WAT X8444 56.276 32.025 57.234 0.00 0.00 +ATOM 27420 H2 WAT X8444 56.179 30.928 58.272 0.00 0.00 +ATOM 27421 O WAT X8445 17.470 26.635 5.118 0.00 0.00 +ATOM 27422 H1 WAT X8445 17.987 25.947 4.699 0.00 0.00 +ATOM 27423 H2 WAT X8445 17.421 26.371 6.037 0.00 0.00 +ATOM 27424 O WAT X8446 21.398 52.089 11.804 0.00 0.00 +ATOM 27425 H1 WAT X8446 21.596 52.025 10.870 0.00 0.00 +ATOM 27426 H2 WAT X8446 20.451 52.230 11.839 0.00 0.00 +ATOM 27427 O WAT X8447 47.430 5.667 55.604 0.00 0.00 +ATOM 27428 H1 WAT X8447 48.197 6.154 55.904 0.00 0.00 +ATOM 27429 H2 WAT X8447 47.790 4.952 55.079 0.00 0.00 +ATOM 27430 O WAT X8448 77.186 57.208 14.782 0.00 0.00 +ATOM 27431 H1 WAT X8448 76.835 56.818 13.981 0.00 0.00 +ATOM 27432 H2 WAT X8448 77.792 56.551 15.123 0.00 0.00 +ATOM 27433 O WAT X8449 14.481 21.793 27.954 0.00 0.00 +ATOM 27434 H1 WAT X8449 14.596 21.811 27.004 0.00 0.00 +ATOM 27435 H2 WAT X8449 13.739 22.375 28.116 0.00 0.00 +ATOM 27436 O WAT X8450 75.042 50.872 45.726 0.00 0.00 +ATOM 27437 H1 WAT X8450 74.919 51.295 46.576 0.00 0.00 +ATOM 27438 H2 WAT X8450 75.973 50.987 45.534 0.00 0.00 +ATOM 27439 O WAT X8451 2.784 28.101 4.203 0.00 0.00 +ATOM 27440 H1 WAT X8451 3.102 28.706 3.533 0.00 0.00 +ATOM 27441 H2 WAT X8451 2.190 27.515 3.734 0.00 0.00 +ATOM 27442 O WAT X8452 33.341 49.362 19.507 0.00 0.00 +ATOM 27443 H1 WAT X8452 33.812 49.688 20.273 0.00 0.00 +ATOM 27444 H2 WAT X8452 32.894 50.132 19.154 0.00 0.00 +ATOM 27445 O WAT X8453 18.255 48.085 28.389 0.00 0.00 +ATOM 27446 H1 WAT X8453 18.723 48.750 28.893 0.00 0.00 +ATOM 27447 H2 WAT X8453 18.886 47.794 27.732 0.00 0.00 +ATOM 27448 O WAT X8454 74.168 14.239 45.783 0.00 0.00 +ATOM 27449 H1 WAT X8454 73.944 15.077 45.378 0.00 0.00 +ATOM 27450 H2 WAT X8454 73.331 13.786 45.875 0.00 0.00 +ATOM 27451 O WAT X8455 33.505 24.607 49.613 0.00 0.00 +ATOM 27452 H1 WAT X8455 33.670 24.471 50.546 0.00 0.00 +ATOM 27453 H2 WAT X8455 34.348 24.888 49.259 0.00 0.00 +ATOM 27454 O WAT X8456 6.900 23.193 13.838 0.00 0.00 +ATOM 27455 H1 WAT X8456 7.855 23.158 13.882 0.00 0.00 +ATOM 27456 H2 WAT X8456 6.704 23.245 12.903 0.00 0.00 +ATOM 27457 O WAT X8457 49.770 52.346 12.682 0.00 0.00 +ATOM 27458 H1 WAT X8457 50.671 52.411 12.364 0.00 0.00 +ATOM 27459 H2 WAT X8457 49.558 53.230 12.982 0.00 0.00 +ATOM 27460 O WAT X8458 7.250 17.547 8.645 0.00 0.00 +ATOM 27461 H1 WAT X8458 6.673 17.595 7.882 0.00 0.00 +ATOM 27462 H2 WAT X8458 7.937 16.932 8.386 0.00 0.00 +ATOM 27463 O WAT X8459 24.632 22.910 58.236 0.00 0.00 +ATOM 27464 H1 WAT X8459 25.576 23.030 58.138 0.00 0.00 +ATOM 27465 H2 WAT X8459 24.289 23.797 58.350 0.00 0.00 +ATOM 27466 O WAT X8460 4.350 61.008 11.110 0.00 0.00 +ATOM 27467 H1 WAT X8460 3.774 60.899 11.866 0.00 0.00 +ATOM 27468 H2 WAT X8460 3.828 61.505 10.481 0.00 0.00 +ATOM 27469 O WAT X8461 35.204 30.174 12.409 0.00 0.00 +ATOM 27470 H1 WAT X8461 36.106 29.929 12.201 0.00 0.00 +ATOM 27471 H2 WAT X8461 34.697 29.887 11.651 0.00 0.00 +ATOM 27472 O WAT X8462 28.424 17.739 46.960 0.00 0.00 +ATOM 27473 H1 WAT X8462 28.590 18.113 46.095 0.00 0.00 +ATOM 27474 H2 WAT X8462 27.818 17.017 46.797 0.00 0.00 +ATOM 27475 O WAT X8463 40.196 31.645 46.799 0.00 0.00 +ATOM 27476 H1 WAT X8463 40.651 32.487 46.818 0.00 0.00 +ATOM 27477 H2 WAT X8463 39.289 31.857 47.018 0.00 0.00 +ATOM 27478 O WAT X8464 20.035 57.333 6.080 0.00 0.00 +ATOM 27479 H1 WAT X8464 20.976 57.446 5.941 0.00 0.00 +ATOM 27480 H2 WAT X8464 19.971 56.628 6.724 0.00 0.00 +ATOM 27481 O WAT X8465 62.179 46.059 9.327 0.00 0.00 +ATOM 27482 H1 WAT X8465 61.238 46.089 9.500 0.00 0.00 +ATOM 27483 H2 WAT X8465 62.247 46.037 8.372 0.00 0.00 +ATOM 27484 O WAT X8466 31.668 38.129 6.901 0.00 0.00 +ATOM 27485 H1 WAT X8466 30.923 37.535 6.816 0.00 0.00 +ATOM 27486 H2 WAT X8466 32.430 37.590 6.693 0.00 0.00 +ATOM 27487 O WAT X8467 7.229 48.568 56.252 0.00 0.00 +ATOM 27488 H1 WAT X8467 7.599 48.130 57.019 0.00 0.00 +ATOM 27489 H2 WAT X8467 7.799 49.324 56.110 0.00 0.00 +ATOM 27490 O WAT X8468 4.813 53.549 27.324 0.00 0.00 +ATOM 27491 H1 WAT X8468 5.150 52.654 27.300 0.00 0.00 +ATOM 27492 H2 WAT X8468 3.868 53.453 27.210 0.00 0.00 +ATOM 27493 O WAT X8469 39.993 21.759 19.499 0.00 0.00 +ATOM 27494 H1 WAT X8469 40.130 22.286 20.287 0.00 0.00 +ATOM 27495 H2 WAT X8469 39.931 20.860 19.821 0.00 0.00 +ATOM 27496 O WAT X8470 65.181 28.929 37.347 0.00 0.00 +ATOM 27497 H1 WAT X8470 65.059 28.346 36.598 0.00 0.00 +ATOM 27498 H2 WAT X8470 64.592 29.664 37.177 0.00 0.00 +ATOM 27499 O WAT X8471 26.111 56.387 2.309 0.00 0.00 +ATOM 27500 H1 WAT X8471 26.767 56.834 2.843 0.00 0.00 +ATOM 27501 H2 WAT X8471 26.470 55.510 2.173 0.00 0.00 +ATOM 27502 O WAT X8472 40.250 10.296 19.109 0.00 0.00 +ATOM 27503 H1 WAT X8472 40.409 10.488 20.033 0.00 0.00 +ATOM 27504 H2 WAT X8472 39.821 11.082 18.772 0.00 0.00 +ATOM 27505 O WAT X8473 19.991 51.662 26.125 0.00 0.00 +ATOM 27506 H1 WAT X8473 20.418 51.855 26.960 0.00 0.00 +ATOM 27507 H2 WAT X8473 20.045 52.482 25.633 0.00 0.00 +ATOM 27508 O WAT X8474 76.790 26.409 56.137 0.00 0.00 +ATOM 27509 H1 WAT X8474 76.254 25.912 55.518 0.00 0.00 +ATOM 27510 H2 WAT X8474 76.260 26.453 56.932 0.00 0.00 +ATOM 27511 O WAT X8475 20.381 24.885 46.004 0.00 0.00 +ATOM 27512 H1 WAT X8475 19.618 25.269 45.573 0.00 0.00 +ATOM 27513 H2 WAT X8475 21.050 24.850 45.320 0.00 0.00 +ATOM 27514 O WAT X8476 1.954 45.635 47.317 0.00 0.00 +ATOM 27515 H1 WAT X8476 2.061 45.214 46.465 0.00 0.00 +ATOM 27516 H2 WAT X8476 1.211 46.226 47.201 0.00 0.00 +ATOM 27517 O WAT X8477 4.643 51.945 29.944 0.00 0.00 +ATOM 27518 H1 WAT X8477 5.532 52.242 29.751 0.00 0.00 +ATOM 27519 H2 WAT X8477 4.151 52.750 30.102 0.00 0.00 +ATOM 27520 O WAT X8478 74.161 26.636 53.728 0.00 0.00 +ATOM 27521 H1 WAT X8478 73.569 26.280 53.065 0.00 0.00 +ATOM 27522 H2 WAT X8478 74.389 25.883 54.274 0.00 0.00 +ATOM 27523 O WAT X8479 8.255 31.166 24.554 0.00 0.00 +ATOM 27524 H1 WAT X8479 7.898 30.674 25.293 0.00 0.00 +ATOM 27525 H2 WAT X8479 9.146 30.830 24.451 0.00 0.00 +ATOM 27526 O WAT X8480 23.527 8.516 18.617 0.00 0.00 +ATOM 27527 H1 WAT X8480 23.103 8.892 17.846 0.00 0.00 +ATOM 27528 H2 WAT X8480 24.403 8.903 18.621 0.00 0.00 +ATOM 27529 O WAT X8481 75.375 50.629 2.121 0.00 0.00 +ATOM 27530 H1 WAT X8481 76.291 50.680 1.849 0.00 0.00 +ATOM 27531 H2 WAT X8481 75.174 49.693 2.110 0.00 0.00 +ATOM 27532 O WAT X8482 33.028 50.761 3.212 0.00 0.00 +ATOM 27533 H1 WAT X8482 33.056 50.993 2.284 0.00 0.00 +ATOM 27534 H2 WAT X8482 33.935 50.846 3.507 0.00 0.00 +ATOM 27535 O WAT X8483 4.567 33.250 29.104 0.00 0.00 +ATOM 27536 H1 WAT X8483 5.519 33.144 29.106 0.00 0.00 +ATOM 27537 H2 WAT X8483 4.303 33.056 30.004 0.00 0.00 +ATOM 27538 O WAT X8484 4.002 23.190 53.308 0.00 0.00 +ATOM 27539 H1 WAT X8484 3.358 23.434 52.643 0.00 0.00 +ATOM 27540 H2 WAT X8484 3.514 23.201 54.131 0.00 0.00 +ATOM 27541 O WAT X8485 37.492 23.142 47.107 0.00 0.00 +ATOM 27542 H1 WAT X8485 37.683 22.544 46.383 0.00 0.00 +ATOM 27543 H2 WAT X8485 37.632 24.015 46.739 0.00 0.00 +ATOM 27544 O WAT X8486 56.882 14.850 42.894 0.00 0.00 +ATOM 27545 H1 WAT X8486 56.325 15.625 42.970 0.00 0.00 +ATOM 27546 H2 WAT X8486 57.460 15.042 42.156 0.00 0.00 +ATOM 27547 O WAT X8487 64.891 7.944 5.127 0.00 0.00 +ATOM 27548 H1 WAT X8487 65.667 7.384 5.112 0.00 0.00 +ATOM 27549 H2 WAT X8487 65.153 8.732 4.652 0.00 0.00 +ATOM 27550 O WAT X8488 22.347 27.887 56.292 0.00 0.00 +ATOM 27551 H1 WAT X8488 21.414 28.094 56.247 0.00 0.00 +ATOM 27552 H2 WAT X8488 22.467 27.179 55.659 0.00 0.00 +ATOM 27553 O WAT X8489 31.007 62.255 6.283 0.00 0.00 +ATOM 27554 H1 WAT X8489 31.810 62.752 6.434 0.00 0.00 +ATOM 27555 H2 WAT X8489 31.271 61.339 6.378 0.00 0.00 +ATOM 27556 O WAT X8490 8.986 61.847 52.777 0.00 0.00 +ATOM 27557 H1 WAT X8490 8.097 62.197 52.839 0.00 0.00 +ATOM 27558 H2 WAT X8490 9.044 61.214 53.493 0.00 0.00 +ATOM 27559 O WAT X8491 27.163 58.917 24.028 0.00 0.00 +ATOM 27560 H1 WAT X8491 26.988 59.301 24.887 0.00 0.00 +ATOM 27561 H2 WAT X8491 27.845 58.266 24.191 0.00 0.00 +ATOM 27562 O WAT X8492 72.792 33.786 48.256 0.00 0.00 +ATOM 27563 H1 WAT X8492 73.010 34.109 49.130 0.00 0.00 +ATOM 27564 H2 WAT X8492 72.690 34.577 47.726 0.00 0.00 +ATOM 27565 O WAT X8493 46.479 49.919 47.559 0.00 0.00 +ATOM 27566 H1 WAT X8493 46.391 49.083 48.018 0.00 0.00 +ATOM 27567 H2 WAT X8493 46.887 50.502 48.199 0.00 0.00 +ATOM 27568 O WAT X8494 61.444 62.304 28.595 0.00 0.00 +ATOM 27569 H1 WAT X8494 61.648 63.234 28.684 0.00 0.00 +ATOM 27570 H2 WAT X8494 61.516 62.131 27.656 0.00 0.00 +ATOM 27571 O WAT X8495 61.287 59.181 13.087 0.00 0.00 +ATOM 27572 H1 WAT X8495 61.482 58.346 12.662 0.00 0.00 +ATOM 27573 H2 WAT X8495 60.470 59.025 13.560 0.00 0.00 +ATOM 27574 O WAT X8496 40.641 9.471 39.209 0.00 0.00 +ATOM 27575 H1 WAT X8496 40.152 10.095 38.673 0.00 0.00 +ATOM 27576 H2 WAT X8496 40.782 8.719 38.634 0.00 0.00 +ATOM 27577 O WAT X8497 31.243 60.785 40.528 0.00 0.00 +ATOM 27578 H1 WAT X8497 31.837 61.531 40.618 0.00 0.00 +ATOM 27579 H2 WAT X8497 31.811 60.017 40.593 0.00 0.00 +ATOM 27580 O WAT X8498 36.514 57.335 14.791 0.00 0.00 +ATOM 27581 H1 WAT X8498 36.471 58.284 14.912 0.00 0.00 +ATOM 27582 H2 WAT X8498 36.769 57.222 13.876 0.00 0.00 +ATOM 27583 O WAT X8499 21.021 56.969 48.999 0.00 0.00 +ATOM 27584 H1 WAT X8499 20.543 57.403 49.706 0.00 0.00 +ATOM 27585 H2 WAT X8499 21.318 57.684 48.436 0.00 0.00 +ATOM 27586 O WAT X8500 57.133 47.732 9.365 0.00 0.00 +ATOM 27587 H1 WAT X8500 57.541 47.616 10.223 0.00 0.00 +ATOM 27588 H2 WAT X8500 56.922 48.665 9.324 0.00 0.00 +ATOM 27589 O WAT X8501 16.674 10.037 53.381 0.00 0.00 +ATOM 27590 H1 WAT X8501 16.412 10.944 53.538 0.00 0.00 +ATOM 27591 H2 WAT X8501 16.330 9.837 52.510 0.00 0.00 +ATOM 27592 O WAT X8502 61.774 33.539 54.513 0.00 0.00 +ATOM 27593 H1 WAT X8502 61.872 34.421 54.872 0.00 0.00 +ATOM 27594 H2 WAT X8502 62.671 33.248 54.344 0.00 0.00 +ATOM 27595 O WAT X8503 66.614 61.379 12.146 0.00 0.00 +ATOM 27596 H1 WAT X8503 66.841 60.609 11.624 0.00 0.00 +ATOM 27597 H2 WAT X8503 66.242 61.020 12.952 0.00 0.00 +ATOM 27598 O WAT X8504 32.820 18.027 34.412 0.00 0.00 +ATOM 27599 H1 WAT X8504 33.709 18.375 34.343 0.00 0.00 +ATOM 27600 H2 WAT X8504 32.619 18.066 35.347 0.00 0.00 +ATOM 27601 O WAT X8505 37.283 30.355 41.517 0.00 0.00 +ATOM 27602 H1 WAT X8505 36.433 29.971 41.730 0.00 0.00 +ATOM 27603 H2 WAT X8505 37.078 31.068 40.911 0.00 0.00 +ATOM 27604 O WAT X8506 13.920 9.617 48.489 0.00 0.00 +ATOM 27605 H1 WAT X8506 14.100 10.490 48.138 0.00 0.00 +ATOM 27606 H2 WAT X8506 12.966 9.579 48.558 0.00 0.00 +ATOM 27607 O WAT X8507 66.424 13.579 30.867 0.00 0.00 +ATOM 27608 H1 WAT X8507 65.985 12.998 31.488 0.00 0.00 +ATOM 27609 H2 WAT X8507 66.995 14.122 31.410 0.00 0.00 +ATOM 27610 O WAT X8508 51.377 8.225 0.347 0.00 0.00 +ATOM 27611 H1 WAT X8508 52.268 7.909 0.201 0.00 0.00 +ATOM 27612 H2 WAT X8508 51.471 9.173 0.442 0.00 0.00 +ATOM 27613 O WAT X8509 34.163 48.586 43.431 0.00 0.00 +ATOM 27614 H1 WAT X8509 33.838 49.455 43.196 0.00 0.00 +ATOM 27615 H2 WAT X8509 34.723 48.333 42.698 0.00 0.00 +ATOM 27616 O WAT X8510 72.531 38.721 21.319 0.00 0.00 +ATOM 27617 H1 WAT X8510 72.899 39.386 20.737 0.00 0.00 +ATOM 27618 H2 WAT X8510 71.826 38.321 20.809 0.00 0.00 +ATOM 27619 O WAT X8511 38.911 3.734 20.472 0.00 0.00 +ATOM 27620 H1 WAT X8511 38.974 2.861 20.860 0.00 0.00 +ATOM 27621 H2 WAT X8511 38.597 4.291 21.185 0.00 0.00 +ATOM 27622 O WAT X8512 37.571 31.846 56.282 0.00 0.00 +ATOM 27623 H1 WAT X8512 36.963 32.219 56.920 0.00 0.00 +ATOM 27624 H2 WAT X8512 37.736 30.958 56.600 0.00 0.00 +ATOM 27625 O WAT X8513 36.228 18.750 26.700 0.00 0.00 +ATOM 27626 H1 WAT X8513 35.965 18.913 25.794 0.00 0.00 +ATOM 27627 H2 WAT X8513 36.797 17.982 26.649 0.00 0.00 +ATOM 27628 O WAT X8514 38.542 23.693 17.681 0.00 0.00 +ATOM 27629 H1 WAT X8514 38.023 23.724 16.877 0.00 0.00 +ATOM 27630 H2 WAT X8514 38.783 22.771 17.776 0.00 0.00 +ATOM 27631 O WAT X8515 2.959 14.377 0.201 0.00 0.00 +ATOM 27632 H1 WAT X8515 2.775 14.573 1.120 0.00 0.00 +ATOM 27633 H2 WAT X8515 2.117 14.098 -0.157 0.00 0.00 +ATOM 27634 O WAT X8516 13.449 58.098 8.022 0.00 0.00 +ATOM 27635 H1 WAT X8516 13.824 57.443 7.434 0.00 0.00 +ATOM 27636 H2 WAT X8516 14.041 58.847 7.955 0.00 0.00 +ATOM 27637 O WAT X8517 0.765 23.936 41.376 0.00 0.00 +ATOM 27638 H1 WAT X8517 -0.101 23.617 41.119 0.00 0.00 +ATOM 27639 H2 WAT X8517 1.135 23.225 41.899 0.00 0.00 +ATOM 27640 O WAT X8518 34.761 12.724 15.621 0.00 0.00 +ATOM 27641 H1 WAT X8518 35.082 13.433 16.179 0.00 0.00 +ATOM 27642 H2 WAT X8518 34.192 12.209 16.192 0.00 0.00 +ATOM 27643 O WAT X8519 58.360 1.595 14.506 0.00 0.00 +ATOM 27644 H1 WAT X8519 59.099 2.203 14.492 0.00 0.00 +ATOM 27645 H2 WAT X8519 58.267 1.310 13.597 0.00 0.00 +ATOM 27646 O WAT X8520 32.810 17.398 4.940 0.00 0.00 +ATOM 27647 H1 WAT X8520 33.495 17.850 5.434 0.00 0.00 +ATOM 27648 H2 WAT X8520 32.407 16.807 5.576 0.00 0.00 +ATOM 27649 O WAT X8521 33.716 31.574 7.084 0.00 0.00 +ATOM 27650 H1 WAT X8521 33.359 31.544 6.196 0.00 0.00 +ATOM 27651 H2 WAT X8521 33.005 31.252 7.639 0.00 0.00 +ATOM 27652 O WAT X8522 65.300 61.598 44.963 0.00 0.00 +ATOM 27653 H1 WAT X8522 65.921 62.319 44.857 0.00 0.00 +ATOM 27654 H2 WAT X8522 65.846 60.842 45.179 0.00 0.00 +ATOM 27655 O WAT X8523 56.836 57.858 16.775 0.00 0.00 +ATOM 27656 H1 WAT X8523 56.771 57.557 17.681 0.00 0.00 +ATOM 27657 H2 WAT X8523 57.715 57.600 16.499 0.00 0.00 +ATOM 27658 O WAT X8524 49.744 41.206 46.271 0.00 0.00 +ATOM 27659 H1 WAT X8524 50.205 41.936 45.855 0.00 0.00 +ATOM 27660 H2 WAT X8524 49.687 41.454 47.194 0.00 0.00 +ATOM 27661 O WAT X8525 76.205 37.731 25.993 0.00 0.00 +ATOM 27662 H1 WAT X8525 76.273 37.986 25.073 0.00 0.00 +ATOM 27663 H2 WAT X8525 76.909 38.211 26.428 0.00 0.00 +ATOM 27664 O WAT X8526 15.414 23.997 34.860 0.00 0.00 +ATOM 27665 H1 WAT X8526 15.266 23.380 35.577 0.00 0.00 +ATOM 27666 H2 WAT X8526 14.577 24.029 34.396 0.00 0.00 +ATOM 27667 O WAT X8527 9.405 49.785 15.324 0.00 0.00 +ATOM 27668 H1 WAT X8527 8.744 49.218 15.721 0.00 0.00 +ATOM 27669 H2 WAT X8527 10.225 49.301 15.420 0.00 0.00 +ATOM 27670 O WAT X8528 53.050 57.939 53.160 0.00 0.00 +ATOM 27671 H1 WAT X8528 53.892 57.484 53.167 0.00 0.00 +ATOM 27672 H2 WAT X8528 52.437 57.302 52.793 0.00 0.00 +ATOM 27673 O WAT X8529 76.187 57.783 30.115 0.00 0.00 +ATOM 27674 H1 WAT X8529 75.697 57.115 30.595 0.00 0.00 +ATOM 27675 H2 WAT X8529 77.105 57.591 30.307 0.00 0.00 +ATOM 27676 O WAT X8530 10.815 27.341 11.211 0.00 0.00 +ATOM 27677 H1 WAT X8530 10.142 28.019 11.168 0.00 0.00 +ATOM 27678 H2 WAT X8530 10.899 27.145 12.144 0.00 0.00 +ATOM 27679 O WAT X8531 50.843 7.607 16.000 0.00 0.00 +ATOM 27680 H1 WAT X8531 51.206 6.871 16.492 0.00 0.00 +ATOM 27681 H2 WAT X8531 49.895 7.487 16.052 0.00 0.00 +ATOM 27682 O WAT X8532 56.677 47.758 2.633 0.00 0.00 +ATOM 27683 H1 WAT X8532 55.852 47.363 2.351 0.00 0.00 +ATOM 27684 H2 WAT X8532 56.414 48.507 3.168 0.00 0.00 +ATOM 27685 O WAT X8533 67.695 38.822 26.191 0.00 0.00 +ATOM 27686 H1 WAT X8533 68.082 39.683 26.035 0.00 0.00 +ATOM 27687 H2 WAT X8533 67.950 38.602 27.087 0.00 0.00 +ATOM 27688 O WAT X8534 8.096 4.306 24.159 0.00 0.00 +ATOM 27689 H1 WAT X8534 8.930 4.368 24.625 0.00 0.00 +ATOM 27690 H2 WAT X8534 8.260 3.677 23.457 0.00 0.00 +ATOM 27691 O WAT X8535 58.859 7.391 15.957 0.00 0.00 +ATOM 27692 H1 WAT X8535 59.751 7.708 15.813 0.00 0.00 +ATOM 27693 H2 WAT X8535 58.973 6.539 16.379 0.00 0.00 +ATOM 27694 O WAT X8536 73.126 16.216 26.370 0.00 0.00 +ATOM 27695 H1 WAT X8536 72.749 16.266 27.248 0.00 0.00 +ATOM 27696 H2 WAT X8536 72.401 15.931 25.814 0.00 0.00 +ATOM 27697 O WAT X8537 5.744 17.150 55.738 0.00 0.00 +ATOM 27698 H1 WAT X8537 5.071 17.830 55.755 0.00 0.00 +ATOM 27699 H2 WAT X8537 5.783 16.828 56.638 0.00 0.00 +ATOM 27700 O WAT X8538 10.080 45.293 56.604 0.00 0.00 +ATOM 27701 H1 WAT X8538 10.610 45.536 57.364 0.00 0.00 +ATOM 27702 H2 WAT X8538 9.181 45.282 56.933 0.00 0.00 +ATOM 27703 O WAT X8539 39.785 4.957 9.762 0.00 0.00 +ATOM 27704 H1 WAT X8539 39.990 5.039 10.693 0.00 0.00 +ATOM 27705 H2 WAT X8539 40.247 4.167 9.484 0.00 0.00 +ATOM 27706 O WAT X8540 24.347 61.533 48.871 0.00 0.00 +ATOM 27707 H1 WAT X8540 25.216 61.455 49.266 0.00 0.00 +ATOM 27708 H2 WAT X8540 23.876 62.137 49.446 0.00 0.00 +ATOM 27709 O WAT X8541 22.221 21.837 34.983 0.00 0.00 +ATOM 27710 H1 WAT X8541 23.127 21.987 34.716 0.00 0.00 +ATOM 27711 H2 WAT X8541 21.786 21.524 34.189 0.00 0.00 +ATOM 27712 O WAT X8542 76.633 40.782 1.109 0.00 0.00 +ATOM 27713 H1 WAT X8542 75.920 41.058 1.685 0.00 0.00 +ATOM 27714 H2 WAT X8542 76.306 39.988 0.686 0.00 0.00 +ATOM 27715 O WAT X8543 13.289 28.426 25.213 0.00 0.00 +ATOM 27716 H1 WAT X8543 13.146 27.618 25.706 0.00 0.00 +ATOM 27717 H2 WAT X8543 14.083 28.260 24.706 0.00 0.00 +ATOM 27718 O WAT X8544 60.457 27.802 53.523 0.00 0.00 +ATOM 27719 H1 WAT X8544 60.875 28.614 53.809 0.00 0.00 +ATOM 27720 H2 WAT X8544 59.529 27.927 53.722 0.00 0.00 +ATOM 27721 O WAT X8545 68.863 62.703 8.625 0.00 0.00 +ATOM 27722 H1 WAT X8545 69.615 62.151 8.842 0.00 0.00 +ATOM 27723 H2 WAT X8545 69.169 63.596 8.783 0.00 0.00 +ATOM 27724 O WAT X8546 19.526 32.303 54.161 0.00 0.00 +ATOM 27725 H1 WAT X8546 18.774 32.162 54.737 0.00 0.00 +ATOM 27726 H2 WAT X8546 20.214 32.628 54.741 0.00 0.00 +ATOM 27727 O WAT X8547 56.699 27.502 18.180 0.00 0.00 +ATOM 27728 H1 WAT X8547 56.908 26.885 18.881 0.00 0.00 +ATOM 27729 H2 WAT X8547 57.412 28.141 18.204 0.00 0.00 +ATOM 27730 O WAT X8548 74.118 24.087 49.723 0.00 0.00 +ATOM 27731 H1 WAT X8548 74.981 23.674 49.695 0.00 0.00 +ATOM 27732 H2 WAT X8548 74.089 24.637 48.940 0.00 0.00 +ATOM 27733 O WAT X8549 9.520 24.390 58.385 0.00 0.00 +ATOM 27734 H1 WAT X8549 9.465 25.050 57.694 0.00 0.00 +ATOM 27735 H2 WAT X8549 8.628 24.052 58.465 0.00 0.00 +ATOM 27736 O WAT X8550 65.704 16.678 30.738 0.00 0.00 +ATOM 27737 H1 WAT X8550 65.435 15.872 30.297 0.00 0.00 +ATOM 27738 H2 WAT X8550 65.132 16.735 31.503 0.00 0.00 +ATOM 27739 O WAT X8551 36.079 11.129 31.779 0.00 0.00 +ATOM 27740 H1 WAT X8551 36.592 10.871 32.544 0.00 0.00 +ATOM 27741 H2 WAT X8551 36.688 11.634 31.241 0.00 0.00 +ATOM 27742 O WAT X8552 58.940 25.922 7.091 0.00 0.00 +ATOM 27743 H1 WAT X8552 58.989 26.292 7.972 0.00 0.00 +ATOM 27744 H2 WAT X8552 59.823 25.598 6.917 0.00 0.00 +ATOM 27745 O WAT X8553 24.854 58.642 1.195 0.00 0.00 +ATOM 27746 H1 WAT X8553 23.920 58.704 1.394 0.00 0.00 +ATOM 27747 H2 WAT X8553 25.200 58.040 1.854 0.00 0.00 +ATOM 27748 O WAT X8554 0.385 3.520 6.913 0.00 0.00 +ATOM 27749 H1 WAT X8554 -0.142 4.188 6.475 0.00 0.00 +ATOM 27750 H2 WAT X8554 1.115 4.004 7.298 0.00 0.00 +ATOM 27751 O WAT X8555 68.316 25.339 52.784 0.00 0.00 +ATOM 27752 H1 WAT X8555 67.387 25.503 52.620 0.00 0.00 +ATOM 27753 H2 WAT X8555 68.323 24.670 53.469 0.00 0.00 +ATOM 27754 O WAT X8556 18.102 2.658 0.191 0.00 0.00 +ATOM 27755 H1 WAT X8556 17.425 2.536 0.857 0.00 0.00 +ATOM 27756 H2 WAT X8556 17.816 2.115 -0.544 0.00 0.00 +ATOM 27757 O WAT X8557 76.698 7.704 17.257 0.00 0.00 +ATOM 27758 H1 WAT X8557 76.259 8.315 17.848 0.00 0.00 +ATOM 27759 H2 WAT X8557 76.690 6.869 17.725 0.00 0.00 +ATOM 27760 O WAT X8558 76.261 59.568 5.711 0.00 0.00 +ATOM 27761 H1 WAT X8558 76.477 58.709 5.346 0.00 0.00 +ATOM 27762 H2 WAT X8558 75.491 59.850 5.217 0.00 0.00 +ATOM 27763 O WAT X8559 1.495 14.079 6.763 0.00 0.00 +ATOM 27764 H1 WAT X8559 1.658 14.664 7.502 0.00 0.00 +ATOM 27765 H2 WAT X8559 1.175 13.270 7.163 0.00 0.00 +ATOM 27766 O WAT X8560 17.997 25.330 41.688 0.00 0.00 +ATOM 27767 H1 WAT X8560 17.370 26.048 41.608 0.00 0.00 +ATOM 27768 H2 WAT X8560 17.628 24.763 42.365 0.00 0.00 +ATOM 27769 O WAT X8561 45.628 50.083 7.597 0.00 0.00 +ATOM 27770 H1 WAT X8561 45.691 49.130 7.538 0.00 0.00 +ATOM 27771 H2 WAT X8561 44.701 50.252 7.763 0.00 0.00 +ATOM 27772 O WAT X8562 68.527 42.750 49.189 0.00 0.00 +ATOM 27773 H1 WAT X8562 67.945 42.095 48.804 0.00 0.00 +ATOM 27774 H2 WAT X8562 69.297 42.253 49.465 0.00 0.00 +ATOM 27775 O WAT X8563 18.937 45.468 33.580 0.00 0.00 +ATOM 27776 H1 WAT X8563 19.844 45.435 33.886 0.00 0.00 +ATOM 27777 H2 WAT X8563 18.976 45.980 32.772 0.00 0.00 +ATOM 27778 O WAT X8564 77.957 30.841 4.064 0.00 0.00 +ATOM 27779 H1 WAT X8564 77.395 31.451 4.541 0.00 0.00 +ATOM 27780 H2 WAT X8564 77.468 30.018 4.059 0.00 0.00 +ATOM 27781 O WAT X8565 7.686 44.840 38.855 0.00 0.00 +ATOM 27782 H1 WAT X8565 7.180 44.038 38.722 0.00 0.00 +ATOM 27783 H2 WAT X8565 7.611 45.018 39.792 0.00 0.00 +ATOM 27784 O WAT X8566 26.234 12.819 37.736 0.00 0.00 +ATOM 27785 H1 WAT X8566 25.323 12.691 38.002 0.00 0.00 +ATOM 27786 H2 WAT X8566 26.442 13.710 38.015 0.00 0.00 +ATOM 27787 O WAT X8567 46.691 7.847 45.232 0.00 0.00 +ATOM 27788 H1 WAT X8567 47.327 7.801 44.518 0.00 0.00 +ATOM 27789 H2 WAT X8567 45.851 7.990 44.797 0.00 0.00 +ATOM 27790 O WAT X8568 16.015 40.865 39.723 0.00 0.00 +ATOM 27791 H1 WAT X8568 15.780 41.763 39.490 0.00 0.00 +ATOM 27792 H2 WAT X8568 16.921 40.770 39.429 0.00 0.00 +ATOM 27793 O WAT X8569 62.752 16.525 27.775 0.00 0.00 +ATOM 27794 H1 WAT X8569 62.017 16.509 28.388 0.00 0.00 +ATOM 27795 H2 WAT X8569 63.076 17.425 27.813 0.00 0.00 +ATOM 27796 O WAT X8570 76.547 33.024 4.754 0.00 0.00 +ATOM 27797 H1 WAT X8570 77.173 33.735 4.892 0.00 0.00 +ATOM 27798 H2 WAT X8570 76.116 33.242 3.927 0.00 0.00 +ATOM 27799 O WAT X8571 16.571 6.904 41.828 0.00 0.00 +ATOM 27800 H1 WAT X8571 16.345 6.571 40.960 0.00 0.00 +ATOM 27801 H2 WAT X8571 16.801 7.822 41.680 0.00 0.00 +ATOM 27802 O WAT X8572 11.158 3.487 31.692 0.00 0.00 +ATOM 27803 H1 WAT X8572 11.805 2.792 31.571 0.00 0.00 +ATOM 27804 H2 WAT X8572 10.368 3.156 31.264 0.00 0.00 +ATOM 27805 O WAT X8573 65.359 26.565 32.886 0.00 0.00 +ATOM 27806 H1 WAT X8573 66.076 26.886 32.339 0.00 0.00 +ATOM 27807 H2 WAT X8573 65.738 25.834 33.373 0.00 0.00 +ATOM 27808 O WAT X8574 65.456 22.235 46.004 0.00 0.00 +ATOM 27809 H1 WAT X8574 66.234 22.216 46.561 0.00 0.00 +ATOM 27810 H2 WAT X8574 64.721 22.191 46.616 0.00 0.00 +ATOM 27811 O WAT X8575 38.638 56.296 31.521 0.00 0.00 +ATOM 27812 H1 WAT X8575 37.994 55.866 32.083 0.00 0.00 +ATOM 27813 H2 WAT X8575 38.735 57.172 31.895 0.00 0.00 +ATOM 27814 O WAT X8576 8.382 55.058 27.482 0.00 0.00 +ATOM 27815 H1 WAT X8576 8.412 56.003 27.328 0.00 0.00 +ATOM 27816 H2 WAT X8576 8.155 54.684 26.631 0.00 0.00 +ATOM 27817 O WAT X8577 75.733 7.463 39.344 0.00 0.00 +ATOM 27818 H1 WAT X8577 75.604 7.214 40.259 0.00 0.00 +ATOM 27819 H2 WAT X8577 75.268 6.792 38.845 0.00 0.00 +ATOM 27820 O WAT X8578 19.156 47.433 47.206 0.00 0.00 +ATOM 27821 H1 WAT X8578 19.037 48.136 47.845 0.00 0.00 +ATOM 27822 H2 WAT X8578 19.666 46.770 47.672 0.00 0.00 +ATOM 27823 O WAT X8579 4.198 61.327 42.551 0.00 0.00 +ATOM 27824 H1 WAT X8579 3.869 60.585 42.043 0.00 0.00 +ATOM 27825 H2 WAT X8579 4.676 61.860 41.916 0.00 0.00 +ATOM 27826 O WAT X8580 60.524 12.327 9.388 0.00 0.00 +ATOM 27827 H1 WAT X8580 61.261 11.771 9.138 0.00 0.00 +ATOM 27828 H2 WAT X8580 60.792 13.210 9.134 0.00 0.00 +ATOM 27829 O WAT X8581 27.391 10.712 50.986 0.00 0.00 +ATOM 27830 H1 WAT X8581 26.959 10.155 50.338 0.00 0.00 +ATOM 27831 H2 WAT X8581 28.128 10.188 51.299 0.00 0.00 +ATOM 27832 O WAT X8582 60.837 29.304 13.626 0.00 0.00 +ATOM 27833 H1 WAT X8582 61.334 29.147 14.429 0.00 0.00 +ATOM 27834 H2 WAT X8582 61.282 30.043 13.210 0.00 0.00 +ATOM 27835 O WAT X8583 32.374 26.072 -0.295 0.00 0.00 +ATOM 27836 H1 WAT X8583 31.719 25.761 0.330 0.00 0.00 +ATOM 27837 H2 WAT X8583 33.214 25.867 0.117 0.00 0.00 +ATOM 27838 O WAT X8584 5.410 16.842 52.927 0.00 0.00 +ATOM 27839 H1 WAT X8584 5.293 17.077 53.847 0.00 0.00 +ATOM 27840 H2 WAT X8584 4.951 16.007 52.833 0.00 0.00 +ATOM 27841 O WAT X8585 48.385 19.587 49.240 0.00 0.00 +ATOM 27842 H1 WAT X8585 47.531 19.779 49.627 0.00 0.00 +ATOM 27843 H2 WAT X8585 48.223 19.572 48.297 0.00 0.00 +ATOM 27844 O WAT X8586 37.453 52.055 8.557 0.00 0.00 +ATOM 27845 H1 WAT X8586 37.074 52.770 9.069 0.00 0.00 +ATOM 27846 H2 WAT X8586 37.977 51.561 9.188 0.00 0.00 +ATOM 27847 O WAT X8587 11.527 15.028 30.349 0.00 0.00 +ATOM 27848 H1 WAT X8587 11.731 14.487 29.587 0.00 0.00 +ATOM 27849 H2 WAT X8587 10.774 14.598 30.754 0.00 0.00 +ATOM 27850 O WAT X8588 43.154 5.672 22.658 0.00 0.00 +ATOM 27851 H1 WAT X8588 43.305 6.222 21.889 0.00 0.00 +ATOM 27852 H2 WAT X8588 43.957 5.756 23.173 0.00 0.00 +ATOM 27853 O WAT X8589 0.484 54.274 26.282 0.00 0.00 +ATOM 27854 H1 WAT X8589 0.941 54.711 25.564 0.00 0.00 +ATOM 27855 H2 WAT X8589 -0.268 54.837 26.466 0.00 0.00 +ATOM 27856 O WAT X8590 58.622 14.755 21.512 0.00 0.00 +ATOM 27857 H1 WAT X8590 58.092 13.965 21.619 0.00 0.00 +ATOM 27858 H2 WAT X8590 58.056 15.359 21.030 0.00 0.00 +ATOM 27859 O WAT X8591 12.346 24.450 45.255 0.00 0.00 +ATOM 27860 H1 WAT X8591 12.101 24.383 44.332 0.00 0.00 +ATOM 27861 H2 WAT X8591 13.112 25.023 45.259 0.00 0.00 +ATOM 27862 O WAT X8592 9.687 10.766 24.788 0.00 0.00 +ATOM 27863 H1 WAT X8592 9.832 11.104 25.672 0.00 0.00 +ATOM 27864 H2 WAT X8592 8.812 10.380 24.820 0.00 0.00 +ATOM 27865 O WAT X8593 25.823 21.813 9.708 0.00 0.00 +ATOM 27866 H1 WAT X8593 26.661 22.163 10.012 0.00 0.00 +ATOM 27867 H2 WAT X8593 25.264 21.821 10.485 0.00 0.00 +ATOM 27868 O WAT X8594 13.497 21.974 46.131 0.00 0.00 +ATOM 27869 H1 WAT X8594 13.173 21.156 45.754 0.00 0.00 +ATOM 27870 H2 WAT X8594 13.134 22.658 45.568 0.00 0.00 +ATOM 27871 O WAT X8595 63.343 54.510 5.411 0.00 0.00 +ATOM 27872 H1 WAT X8595 63.228 53.795 6.038 0.00 0.00 +ATOM 27873 H2 WAT X8595 62.999 55.281 5.862 0.00 0.00 +ATOM 27874 O WAT X8596 21.554 45.900 2.631 0.00 0.00 +ATOM 27875 H1 WAT X8596 22.469 45.977 2.901 0.00 0.00 +ATOM 27876 H2 WAT X8596 21.053 46.147 3.408 0.00 0.00 +ATOM 27877 O WAT X8597 67.682 23.246 36.277 0.00 0.00 +ATOM 27878 H1 WAT X8597 68.403 23.640 36.768 0.00 0.00 +ATOM 27879 H2 WAT X8597 67.968 22.348 36.110 0.00 0.00 +ATOM 27880 O WAT X8598 17.746 49.563 52.982 0.00 0.00 +ATOM 27881 H1 WAT X8598 18.046 49.616 53.889 0.00 0.00 +ATOM 27882 H2 WAT X8598 18.354 50.119 52.495 0.00 0.00 +ATOM 27883 O WAT X8599 4.818 2.058 2.945 0.00 0.00 +ATOM 27884 H1 WAT X8599 5.237 2.894 3.145 0.00 0.00 +ATOM 27885 H2 WAT X8599 5.404 1.641 2.313 0.00 0.00 +ATOM 27886 O WAT X8600 64.473 33.355 13.089 0.00 0.00 +ATOM 27887 H1 WAT X8600 64.659 33.165 14.009 0.00 0.00 +ATOM 27888 H2 WAT X8600 63.636 33.820 13.105 0.00 0.00 +ATOM 27889 O WAT X8601 28.926 12.510 40.115 0.00 0.00 +ATOM 27890 H1 WAT X8601 28.853 12.538 39.161 0.00 0.00 +ATOM 27891 H2 WAT X8601 28.051 12.261 40.414 0.00 0.00 +ATOM 27892 O WAT X8602 53.816 37.194 1.023 0.00 0.00 +ATOM 27893 H1 WAT X8602 53.526 38.064 0.750 0.00 0.00 +ATOM 27894 H2 WAT X8602 53.173 36.597 0.639 0.00 0.00 +ATOM 27895 O WAT X8603 41.334 23.604 17.453 0.00 0.00 +ATOM 27896 H1 WAT X8603 41.445 22.675 17.250 0.00 0.00 +ATOM 27897 H2 WAT X8603 40.436 23.802 17.185 0.00 0.00 +ATOM 27898 O WAT X8604 9.202 31.383 5.039 0.00 0.00 +ATOM 27899 H1 WAT X8604 8.610 32.131 4.953 0.00 0.00 +ATOM 27900 H2 WAT X8604 8.645 30.619 4.892 0.00 0.00 +ATOM 27901 O WAT X8605 58.187 15.899 40.646 0.00 0.00 +ATOM 27902 H1 WAT X8605 58.613 15.065 40.845 0.00 0.00 +ATOM 27903 H2 WAT X8605 58.796 16.345 40.058 0.00 0.00 +ATOM 27904 O WAT X8606 64.551 39.397 8.941 0.00 0.00 +ATOM 27905 H1 WAT X8606 64.832 38.696 8.353 0.00 0.00 +ATOM 27906 H2 WAT X8606 64.859 39.124 9.805 0.00 0.00 +ATOM 27907 O WAT X8607 38.158 39.397 47.677 0.00 0.00 +ATOM 27908 H1 WAT X8607 38.371 40.323 47.793 0.00 0.00 +ATOM 27909 H2 WAT X8607 38.440 38.982 48.492 0.00 0.00 +ATOM 27910 O WAT X8608 25.669 11.816 12.013 0.00 0.00 +ATOM 27911 H1 WAT X8608 26.152 11.230 12.596 0.00 0.00 +ATOM 27912 H2 WAT X8608 24.810 11.405 11.917 0.00 0.00 +ATOM 27913 O WAT X8609 56.368 38.661 17.062 0.00 0.00 +ATOM 27914 H1 WAT X8609 57.099 39.244 16.858 0.00 0.00 +ATOM 27915 H2 WAT X8609 55.840 38.651 16.264 0.00 0.00 +ATOM 27916 O WAT X8610 2.519 13.275 26.796 0.00 0.00 +ATOM 27917 H1 WAT X8610 2.579 12.339 26.986 0.00 0.00 +ATOM 27918 H2 WAT X8610 2.994 13.383 25.972 0.00 0.00 +ATOM 27919 O WAT X8611 69.191 8.516 7.843 0.00 0.00 +ATOM 27920 H1 WAT X8611 70.021 8.040 7.862 0.00 0.00 +ATOM 27921 H2 WAT X8611 69.081 8.841 8.737 0.00 0.00 +ATOM 27922 O WAT X8612 35.432 43.359 5.870 0.00 0.00 +ATOM 27923 H1 WAT X8612 34.751 43.939 6.211 0.00 0.00 +ATOM 27924 H2 WAT X8612 36.251 43.739 6.187 0.00 0.00 +ATOM 27925 O WAT X8613 27.813 11.184 35.624 0.00 0.00 +ATOM 27926 H1 WAT X8613 27.322 11.597 36.334 0.00 0.00 +ATOM 27927 H2 WAT X8613 27.144 10.909 34.998 0.00 0.00 +ATOM 27928 O WAT X8614 70.822 16.209 31.326 0.00 0.00 +ATOM 27929 H1 WAT X8614 70.917 16.570 32.208 0.00 0.00 +ATOM 27930 H2 WAT X8614 70.230 16.814 30.881 0.00 0.00 +ATOM 27931 O WAT X8615 69.551 3.424 32.370 0.00 0.00 +ATOM 27932 H1 WAT X8615 68.724 3.359 32.847 0.00 0.00 +ATOM 27933 H2 WAT X8615 69.801 4.344 32.448 0.00 0.00 +ATOM 27934 O WAT X8616 5.802 4.404 5.050 0.00 0.00 +ATOM 27935 H1 WAT X8616 5.746 5.201 4.523 0.00 0.00 +ATOM 27936 H2 WAT X8616 6.641 4.477 5.506 0.00 0.00 +ATOM 27937 O WAT X8617 7.598 6.840 8.048 0.00 0.00 +ATOM 27938 H1 WAT X8617 8.004 6.208 7.455 0.00 0.00 +ATOM 27939 H2 WAT X8617 8.309 7.433 8.290 0.00 0.00 +ATOM 27940 O WAT X8618 16.763 44.191 53.127 0.00 0.00 +ATOM 27941 H1 WAT X8618 16.707 43.764 52.272 0.00 0.00 +ATOM 27942 H2 WAT X8618 16.691 45.126 52.932 0.00 0.00 +ATOM 27943 O WAT X8619 66.477 6.286 55.108 0.00 0.00 +ATOM 27944 H1 WAT X8619 66.932 7.063 54.782 0.00 0.00 +ATOM 27945 H2 WAT X8619 65.557 6.440 54.892 0.00 0.00 +ATOM 27946 O WAT X8620 2.642 56.950 51.195 0.00 0.00 +ATOM 27947 H1 WAT X8620 2.912 57.851 51.017 0.00 0.00 +ATOM 27948 H2 WAT X8620 3.059 56.433 50.506 0.00 0.00 +ATOM 27949 O WAT X8621 66.282 10.881 9.765 0.00 0.00 +ATOM 27950 H1 WAT X8621 66.392 10.676 10.693 0.00 0.00 +ATOM 27951 H2 WAT X8621 66.083 10.038 9.356 0.00 0.00 +ATOM 27952 O WAT X8622 40.388 58.783 24.749 0.00 0.00 +ATOM 27953 H1 WAT X8622 40.055 59.007 23.880 0.00 0.00 +ATOM 27954 H2 WAT X8622 39.633 58.885 25.328 0.00 0.00 +ATOM 27955 O WAT X8623 13.839 47.824 14.355 0.00 0.00 +ATOM 27956 H1 WAT X8623 13.042 47.879 14.883 0.00 0.00 +ATOM 27957 H2 WAT X8623 13.683 47.089 13.762 0.00 0.00 +ATOM 27958 O WAT X8624 9.180 38.876 8.141 0.00 0.00 +ATOM 27959 H1 WAT X8624 8.261 39.142 8.106 0.00 0.00 +ATOM 27960 H2 WAT X8624 9.667 39.661 7.891 0.00 0.00 +ATOM 27961 O WAT X8625 31.279 48.678 25.545 0.00 0.00 +ATOM 27962 H1 WAT X8625 31.206 47.798 25.915 0.00 0.00 +ATOM 27963 H2 WAT X8625 30.569 49.171 25.957 0.00 0.00 +ATOM 27964 O WAT X8626 17.488 45.425 36.238 0.00 0.00 +ATOM 27965 H1 WAT X8626 16.622 45.828 36.293 0.00 0.00 +ATOM 27966 H2 WAT X8626 17.527 45.060 35.355 0.00 0.00 +ATOM 27967 O WAT X8627 46.132 39.142 49.253 0.00 0.00 +ATOM 27968 H1 WAT X8627 45.411 38.848 49.810 0.00 0.00 +ATOM 27969 H2 WAT X8627 46.870 39.248 49.854 0.00 0.00 +ATOM 27970 O WAT X8628 27.706 57.459 29.665 0.00 0.00 +ATOM 27971 H1 WAT X8628 27.170 57.210 28.912 0.00 0.00 +ATOM 27972 H2 WAT X8628 28.463 57.904 29.284 0.00 0.00 +ATOM 27973 O WAT X8629 73.827 48.893 33.866 0.00 0.00 +ATOM 27974 H1 WAT X8629 73.809 48.983 34.819 0.00 0.00 +ATOM 27975 H2 WAT X8629 74.528 49.481 33.584 0.00 0.00 +ATOM 27976 O WAT X8630 55.784 60.597 56.689 0.00 0.00 +ATOM 27977 H1 WAT X8630 56.371 60.147 56.080 0.00 0.00 +ATOM 27978 H2 WAT X8630 55.335 59.891 57.153 0.00 0.00 +ATOM 27979 O WAT X8631 23.545 31.275 43.436 0.00 0.00 +ATOM 27980 H1 WAT X8631 23.160 30.607 42.869 0.00 0.00 +ATOM 27981 H2 WAT X8631 24.313 30.851 43.818 0.00 0.00 +ATOM 27982 O WAT X8632 32.626 61.721 21.718 0.00 0.00 +ATOM 27983 H1 WAT X8632 32.272 60.940 22.144 0.00 0.00 +ATOM 27984 H2 WAT X8632 33.267 61.383 21.093 0.00 0.00 +ATOM 27985 O WAT X8633 26.361 45.199 38.257 0.00 0.00 +ATOM 27986 H1 WAT X8633 25.601 45.148 38.836 0.00 0.00 +ATOM 27987 H2 WAT X8633 26.939 45.837 38.676 0.00 0.00 +ATOM 27988 O WAT X8634 24.026 36.737 57.345 0.00 0.00 +ATOM 27989 H1 WAT X8634 23.383 37.295 57.783 0.00 0.00 +ATOM 27990 H2 WAT X8634 24.501 36.313 58.059 0.00 0.00 +ATOM 27991 O WAT X8635 33.837 0.239 38.600 0.00 0.00 +ATOM 27992 H1 WAT X8635 34.498 -0.131 38.015 0.00 0.00 +ATOM 27993 H2 WAT X8635 34.260 1.008 38.983 0.00 0.00 +ATOM 27994 O WAT X8636 11.254 8.321 36.175 0.00 0.00 +ATOM 27995 H1 WAT X8636 10.884 8.107 35.318 0.00 0.00 +ATOM 27996 H2 WAT X8636 10.492 8.491 36.729 0.00 0.00 +ATOM 27997 O WAT X8637 59.283 29.586 2.399 0.00 0.00 +ATOM 27998 H1 WAT X8637 58.585 29.100 2.838 0.00 0.00 +ATOM 27999 H2 WAT X8637 59.305 29.226 1.512 0.00 0.00 +ATOM 28000 O WAT X8638 0.543 56.744 53.181 0.00 0.00 +ATOM 28001 H1 WAT X8638 0.228 57.642 53.074 0.00 0.00 +ATOM 28002 H2 WAT X8638 1.441 56.764 52.851 0.00 0.00 +ATOM 28003 O WAT X8639 76.231 57.807 25.726 0.00 0.00 +ATOM 28004 H1 WAT X8639 75.679 58.482 26.120 0.00 0.00 +ATOM 28005 H2 WAT X8639 76.440 57.216 26.449 0.00 0.00 +ATOM 28006 O WAT X8640 74.159 46.765 41.609 0.00 0.00 +ATOM 28007 H1 WAT X8640 74.225 47.702 41.428 0.00 0.00 +ATOM 28008 H2 WAT X8640 74.772 46.359 40.996 0.00 0.00 +ATOM 28009 O WAT X8641 51.081 62.954 39.274 0.00 0.00 +ATOM 28010 H1 WAT X8641 51.228 62.008 39.283 0.00 0.00 +ATOM 28011 H2 WAT X8641 50.252 63.064 38.810 0.00 0.00 +ATOM 28012 O WAT X8642 7.750 31.747 30.172 0.00 0.00 +ATOM 28013 H1 WAT X8642 8.317 30.987 30.304 0.00 0.00 +ATOM 28014 H2 WAT X8642 7.756 32.200 31.016 0.00 0.00 +ATOM 28015 O WAT X8643 20.326 53.817 40.397 0.00 0.00 +ATOM 28016 H1 WAT X8643 21.233 53.571 40.582 0.00 0.00 +ATOM 28017 H2 WAT X8643 19.865 53.667 41.222 0.00 0.00 +ATOM 28018 O WAT X8644 21.852 9.370 34.272 0.00 0.00 +ATOM 28019 H1 WAT X8644 21.948 10.097 34.887 0.00 0.00 +ATOM 28020 H2 WAT X8644 20.944 9.424 33.976 0.00 0.00 +ATOM 28021 O WAT X8645 7.475 39.851 1.912 0.00 0.00 +ATOM 28022 H1 WAT X8645 8.036 39.280 2.438 0.00 0.00 +ATOM 28023 H2 WAT X8645 8.019 40.616 1.726 0.00 0.00 +ATOM 28024 O WAT X8646 77.751 39.515 9.586 0.00 0.00 +ATOM 28025 H1 WAT X8646 78.228 40.342 9.523 0.00 0.00 +ATOM 28026 H2 WAT X8646 77.370 39.524 10.464 0.00 0.00 +ATOM 28027 O WAT X8647 0.706 24.759 23.543 0.00 0.00 +ATOM 28028 H1 WAT X8647 -0.018 25.184 23.083 0.00 0.00 +ATOM 28029 H2 WAT X8647 1.109 24.194 22.884 0.00 0.00 +ATOM 28030 O WAT X8648 28.247 53.176 29.477 0.00 0.00 +ATOM 28031 H1 WAT X8648 28.521 53.989 29.900 0.00 0.00 +ATOM 28032 H2 WAT X8648 28.540 53.266 28.571 0.00 0.00 +ATOM 28033 O WAT X8649 32.505 22.074 20.915 0.00 0.00 +ATOM 28034 H1 WAT X8649 31.980 22.102 21.714 0.00 0.00 +ATOM 28035 H2 WAT X8649 32.825 22.970 20.807 0.00 0.00 +ATOM 28036 O WAT X8650 16.244 24.851 56.059 0.00 0.00 +ATOM 28037 H1 WAT X8650 16.970 24.285 55.793 0.00 0.00 +ATOM 28038 H2 WAT X8650 16.662 25.571 56.530 0.00 0.00 +ATOM 28039 O WAT X8651 41.038 3.488 3.528 0.00 0.00 +ATOM 28040 H1 WAT X8651 40.485 4.193 3.192 0.00 0.00 +ATOM 28041 H2 WAT X8651 41.673 3.328 2.830 0.00 0.00 +ATOM 28042 O WAT X8652 61.165 2.000 56.564 0.00 0.00 +ATOM 28043 H1 WAT X8652 62.068 1.815 56.822 0.00 0.00 +ATOM 28044 H2 WAT X8652 60.862 2.646 57.201 0.00 0.00 +ATOM 28045 O WAT X8653 27.670 59.737 18.119 0.00 0.00 +ATOM 28046 H1 WAT X8653 28.612 59.577 18.171 0.00 0.00 +ATOM 28047 H2 WAT X8653 27.280 58.863 18.083 0.00 0.00 +ATOM 28048 O WAT X8654 39.652 47.455 15.631 0.00 0.00 +ATOM 28049 H1 WAT X8654 39.051 48.150 15.361 0.00 0.00 +ATOM 28050 H2 WAT X8654 40.459 47.914 15.862 0.00 0.00 +ATOM 28051 O WAT X8655 57.247 0.415 56.561 0.00 0.00 +ATOM 28052 H1 WAT X8655 56.709 1.207 56.559 0.00 0.00 +ATOM 28053 H2 WAT X8655 56.616 -0.303 56.602 0.00 0.00 +ATOM 28054 O WAT X8656 74.504 0.311 42.561 0.00 0.00 +ATOM 28055 H1 WAT X8656 75.238 0.922 42.625 0.00 0.00 +ATOM 28056 H2 WAT X8656 74.660 -0.326 43.257 0.00 0.00 +ATOM 28057 O WAT X8657 1.096 24.225 12.773 0.00 0.00 +ATOM 28058 H1 WAT X8657 0.228 23.828 12.836 0.00 0.00 +ATOM 28059 H2 WAT X8657 1.697 23.531 13.044 0.00 0.00 +ATOM 28060 O WAT X8658 17.397 20.391 28.435 0.00 0.00 +ATOM 28061 H1 WAT X8658 16.844 20.658 27.701 0.00 0.00 +ATOM 28062 H2 WAT X8658 16.804 20.370 29.186 0.00 0.00 +ATOM 28063 O WAT X8659 73.221 45.602 2.274 0.00 0.00 +ATOM 28064 H1 WAT X8659 72.461 45.077 2.526 0.00 0.00 +ATOM 28065 H2 WAT X8659 73.812 44.979 1.850 0.00 0.00 +ATOM 28066 O WAT X8660 66.038 4.806 1.704 0.00 0.00 +ATOM 28067 H1 WAT X8660 65.354 4.858 2.372 0.00 0.00 +ATOM 28068 H2 WAT X8660 66.559 4.042 1.953 0.00 0.00 +ATOM 28069 O WAT X8661 62.260 15.279 12.323 0.00 0.00 +ATOM 28070 H1 WAT X8661 63.167 15.326 12.625 0.00 0.00 +ATOM 28071 H2 WAT X8661 61.748 15.642 13.046 0.00 0.00 +ATOM 28072 O WAT X8662 66.648 33.337 30.814 0.00 0.00 +ATOM 28073 H1 WAT X8662 66.982 34.145 31.205 0.00 0.00 +ATOM 28074 H2 WAT X8662 65.777 33.229 31.195 0.00 0.00 +ATOM 28075 O WAT X8663 34.305 8.196 20.758 0.00 0.00 +ATOM 28076 H1 WAT X8663 34.739 8.025 19.922 0.00 0.00 +ATOM 28077 H2 WAT X8663 33.908 9.060 20.649 0.00 0.00 +ATOM 28078 O WAT X8664 35.992 3.477 49.255 0.00 0.00 +ATOM 28079 H1 WAT X8664 36.502 3.352 48.454 0.00 0.00 +ATOM 28080 H2 WAT X8664 36.459 2.968 49.918 0.00 0.00 +ATOM 28081 O WAT X8665 51.693 55.283 32.739 0.00 0.00 +ATOM 28082 H1 WAT X8665 50.767 55.117 32.560 0.00 0.00 +ATOM 28083 H2 WAT X8665 52.051 54.424 32.963 0.00 0.00 +ATOM 28084 O WAT X8666 7.473 17.378 -0.148 0.00 0.00 +ATOM 28085 H1 WAT X8666 6.845 17.812 0.430 0.00 0.00 +ATOM 28086 H2 WAT X8666 8.087 16.947 0.447 0.00 0.00 +ATOM 28087 O WAT X8667 66.271 25.300 24.279 0.00 0.00 +ATOM 28088 H1 WAT X8667 66.813 25.769 23.644 0.00 0.00 +ATOM 28089 H2 WAT X8667 65.909 25.987 24.839 0.00 0.00 +ATOM 28090 O WAT X8668 55.077 10.078 39.573 0.00 0.00 +ATOM 28091 H1 WAT X8668 55.784 9.935 40.202 0.00 0.00 +ATOM 28092 H2 WAT X8668 54.405 9.443 39.819 0.00 0.00 +ATOM 28093 O WAT X8669 63.774 38.894 34.651 0.00 0.00 +ATOM 28094 H1 WAT X8669 63.098 39.568 34.717 0.00 0.00 +ATOM 28095 H2 WAT X8669 63.310 38.073 34.812 0.00 0.00 +ATOM 28096 O WAT X8670 28.846 13.764 32.553 0.00 0.00 +ATOM 28097 H1 WAT X8670 27.891 13.731 32.602 0.00 0.00 +ATOM 28098 H2 WAT X8670 29.101 14.372 33.247 0.00 0.00 +ATOM 28099 O WAT X8671 18.583 50.264 58.674 0.00 0.00 +ATOM 28100 H1 WAT X8671 19.091 49.527 58.336 0.00 0.00 +ATOM 28101 H2 WAT X8671 18.106 50.595 57.913 0.00 0.00 +ATOM 28102 O WAT X8672 44.399 26.289 -0.315 0.00 0.00 +ATOM 28103 H1 WAT X8672 44.797 26.827 0.369 0.00 0.00 +ATOM 28104 H2 WAT X8672 44.477 25.392 0.010 0.00 0.00 +ATOM 28105 O WAT X8673 48.496 14.757 49.968 0.00 0.00 +ATOM 28106 H1 WAT X8673 48.100 15.203 49.220 0.00 0.00 +ATOM 28107 H2 WAT X8673 49.241 15.308 50.209 0.00 0.00 +ATOM 28108 O WAT X8674 48.531 57.618 1.975 0.00 0.00 +ATOM 28109 H1 WAT X8674 48.038 58.348 2.351 0.00 0.00 +ATOM 28110 H2 WAT X8674 48.255 56.856 2.484 0.00 0.00 +ATOM 28111 O WAT X8675 77.782 4.798 57.873 0.00 0.00 +ATOM 28112 H1 WAT X8675 77.964 3.930 58.235 0.00 0.00 +ATOM 28113 H2 WAT X8675 77.392 4.622 57.017 0.00 0.00 +ATOM 28114 O WAT X8676 70.361 50.530 19.235 0.00 0.00 +ATOM 28115 H1 WAT X8676 70.533 51.374 19.653 0.00 0.00 +ATOM 28116 H2 WAT X8676 69.547 50.665 18.749 0.00 0.00 +ATOM 28117 O WAT X8677 72.474 27.291 24.329 0.00 0.00 +ATOM 28118 H1 WAT X8677 71.802 27.505 23.682 0.00 0.00 +ATOM 28119 H2 WAT X8677 73.250 27.083 23.808 0.00 0.00 +ATOM 28120 O WAT X8678 74.371 27.737 15.031 0.00 0.00 +ATOM 28121 H1 WAT X8678 74.186 28.638 15.296 0.00 0.00 +ATOM 28122 H2 WAT X8678 73.551 27.269 15.185 0.00 0.00 +ATOM 28123 O WAT X8679 59.969 32.087 9.082 0.00 0.00 +ATOM 28124 H1 WAT X8679 59.861 32.672 9.832 0.00 0.00 +ATOM 28125 H2 WAT X8679 60.232 31.251 9.466 0.00 0.00 +ATOM 28126 O WAT X8680 50.467 36.157 1.097 0.00 0.00 +ATOM 28127 H1 WAT X8680 49.901 35.608 0.555 0.00 0.00 +ATOM 28128 H2 WAT X8680 51.252 36.289 0.566 0.00 0.00 +ATOM 28129 O WAT X8681 5.299 26.082 34.887 0.00 0.00 +ATOM 28130 H1 WAT X8681 5.758 26.393 34.107 0.00 0.00 +ATOM 28131 H2 WAT X8681 4.895 26.867 35.256 0.00 0.00 +ATOM 28132 O WAT X8682 61.580 57.023 11.459 0.00 0.00 +ATOM 28133 H1 WAT X8682 60.730 57.036 11.898 0.00 0.00 +ATOM 28134 H2 WAT X8682 61.390 56.698 10.579 0.00 0.00 +ATOM 28135 O WAT X8683 28.023 62.845 18.492 0.00 0.00 +ATOM 28136 H1 WAT X8683 27.087 63.038 18.538 0.00 0.00 +ATOM 28137 H2 WAT X8683 28.070 61.991 18.061 0.00 0.00 +ATOM 28138 O WAT X8684 30.384 4.532 44.242 0.00 0.00 +ATOM 28139 H1 WAT X8684 30.317 3.979 45.020 0.00 0.00 +ATOM 28140 H2 WAT X8684 31.234 4.308 43.862 0.00 0.00 +ATOM 28141 O WAT X8685 1.158 2.690 25.149 0.00 0.00 +ATOM 28142 H1 WAT X8685 1.461 2.121 25.857 0.00 0.00 +ATOM 28143 H2 WAT X8685 1.398 3.572 25.431 0.00 0.00 +ATOM 28144 O WAT X8686 7.793 42.303 42.006 0.00 0.00 +ATOM 28145 H1 WAT X8686 8.564 42.122 42.544 0.00 0.00 +ATOM 28146 H2 WAT X8686 7.400 41.444 41.852 0.00 0.00 +ATOM 28147 O WAT X8687 35.787 51.680 11.015 0.00 0.00 +ATOM 28148 H1 WAT X8687 34.991 52.179 11.198 0.00 0.00 +ATOM 28149 H2 WAT X8687 35.526 50.766 11.120 0.00 0.00 +ATOM 28150 O WAT X8688 22.082 17.620 0.179 0.00 0.00 +ATOM 28151 H1 WAT X8688 21.199 17.889 0.431 0.00 0.00 +ATOM 28152 H2 WAT X8688 22.515 18.432 -0.084 0.00 0.00 +ATOM 28153 O WAT X8689 28.473 18.636 39.131 0.00 0.00 +ATOM 28154 H1 WAT X8689 28.358 17.903 39.736 0.00 0.00 +ATOM 28155 H2 WAT X8689 27.918 18.418 38.383 0.00 0.00 +ATOM 28156 O WAT X8690 36.658 56.998 50.947 0.00 0.00 +ATOM 28157 H1 WAT X8690 37.202 57.501 51.553 0.00 0.00 +ATOM 28158 H2 WAT X8690 37.049 57.154 50.088 0.00 0.00 +ATOM 28159 O WAT X8691 41.462 36.074 53.094 0.00 0.00 +ATOM 28160 H1 WAT X8691 41.915 36.885 52.862 0.00 0.00 +ATOM 28161 H2 WAT X8691 41.577 35.509 52.330 0.00 0.00 +ATOM 28162 O WAT X8692 55.091 2.198 41.843 0.00 0.00 +ATOM 28163 H1 WAT X8692 54.565 2.910 41.477 0.00 0.00 +ATOM 28164 H2 WAT X8692 55.341 2.509 42.713 0.00 0.00 +ATOM 28165 O WAT X8693 29.312 20.608 48.294 0.00 0.00 +ATOM 28166 H1 WAT X8693 28.588 21.181 48.041 0.00 0.00 +ATOM 28167 H2 WAT X8693 29.519 20.866 49.192 0.00 0.00 +ATOM 28168 O WAT X8694 2.563 16.543 49.196 0.00 0.00 +ATOM 28169 H1 WAT X8694 1.867 16.592 48.541 0.00 0.00 +ATOM 28170 H2 WAT X8694 2.804 15.617 49.221 0.00 0.00 +ATOM 28171 O WAT X8695 7.824 1.999 6.745 0.00 0.00 +ATOM 28172 H1 WAT X8695 7.087 1.402 6.869 0.00 0.00 +ATOM 28173 H2 WAT X8695 8.143 2.174 7.631 0.00 0.00 +ATOM 28174 O WAT X8696 18.183 23.552 43.908 0.00 0.00 +ATOM 28175 H1 WAT X8696 18.724 23.296 43.161 0.00 0.00 +ATOM 28176 H2 WAT X8696 18.604 23.140 44.662 0.00 0.00 +ATOM 28177 O WAT X8697 71.395 46.473 41.463 0.00 0.00 +ATOM 28178 H1 WAT X8697 71.441 46.415 42.417 0.00 0.00 +ATOM 28179 H2 WAT X8697 72.304 46.388 41.174 0.00 0.00 +ATOM 28180 O WAT X8698 59.922 21.264 32.307 0.00 0.00 +ATOM 28181 H1 WAT X8698 59.566 20.499 32.759 0.00 0.00 +ATOM 28182 H2 WAT X8698 59.301 21.967 32.499 0.00 0.00 +ATOM 28183 O WAT X8699 70.710 39.687 23.314 0.00 0.00 +ATOM 28184 H1 WAT X8699 70.377 40.028 24.144 0.00 0.00 +ATOM 28185 H2 WAT X8699 71.321 40.357 23.007 0.00 0.00 +ATOM 28186 O WAT X8700 3.295 3.070 9.425 0.00 0.00 +ATOM 28187 H1 WAT X8700 2.849 3.793 8.985 0.00 0.00 +ATOM 28188 H2 WAT X8700 4.194 3.377 9.540 0.00 0.00 +ATOM 28189 O WAT X8701 0.018 42.638 10.771 0.00 0.00 +ATOM 28190 H1 WAT X8701 0.963 42.727 10.653 0.00 0.00 +ATOM 28191 H2 WAT X8701 -0.359 43.314 10.208 0.00 0.00 +ATOM 28192 O WAT X8702 9.762 54.011 39.728 0.00 0.00 +ATOM 28193 H1 WAT X8702 10.643 53.653 39.840 0.00 0.00 +ATOM 28194 H2 WAT X8702 9.763 54.816 40.246 0.00 0.00 +ATOM 28195 O WAT X8703 55.907 18.271 14.308 0.00 0.00 +ATOM 28196 H1 WAT X8703 56.360 19.063 14.016 0.00 0.00 +ATOM 28197 H2 WAT X8703 55.210 18.143 13.665 0.00 0.00 +ATOM 28198 O WAT X8704 72.162 1.446 52.394 0.00 0.00 +ATOM 28199 H1 WAT X8704 71.439 0.827 52.489 0.00 0.00 +ATOM 28200 H2 WAT X8704 71.805 2.151 51.854 0.00 0.00 +ATOM 28201 O WAT X8705 52.211 29.040 47.339 0.00 0.00 +ATOM 28202 H1 WAT X8705 52.662 28.274 46.983 0.00 0.00 +ATOM 28203 H2 WAT X8705 51.731 28.705 48.096 0.00 0.00 +ATOM 28204 O WAT X8706 70.315 33.955 30.136 0.00 0.00 +ATOM 28205 H1 WAT X8706 69.870 34.184 30.953 0.00 0.00 +ATOM 28206 H2 WAT X8706 71.143 33.565 30.416 0.00 0.00 +ATOM 28207 O WAT X8707 57.800 2.341 11.587 0.00 0.00 +ATOM 28208 H1 WAT X8707 58.541 2.282 10.984 0.00 0.00 +ATOM 28209 H2 WAT X8707 57.038 2.451 11.019 0.00 0.00 +ATOM 28210 O WAT X8708 25.298 13.190 17.236 0.00 0.00 +ATOM 28211 H1 WAT X8708 25.260 12.496 16.578 0.00 0.00 +ATOM 28212 H2 WAT X8708 26.182 13.548 17.156 0.00 0.00 +ATOM 28213 O WAT X8709 75.671 48.425 5.239 0.00 0.00 +ATOM 28214 H1 WAT X8709 75.323 47.539 5.143 0.00 0.00 +ATOM 28215 H2 WAT X8709 75.265 48.921 4.528 0.00 0.00 +ATOM 28216 O WAT X8710 0.557 47.606 5.317 0.00 0.00 +ATOM 28217 H1 WAT X8710 1.036 48.177 4.717 0.00 0.00 +ATOM 28218 H2 WAT X8710 -0.229 48.102 5.545 0.00 0.00 +ATOM 28219 O WAT X8711 16.310 42.773 57.163 0.00 0.00 +ATOM 28220 H1 WAT X8711 17.043 42.491 57.710 0.00 0.00 +ATOM 28221 H2 WAT X8711 16.708 42.985 56.318 0.00 0.00 +ATOM 28222 O WAT X8712 59.185 4.050 43.477 0.00 0.00 +ATOM 28223 H1 WAT X8712 58.406 4.603 43.421 0.00 0.00 +ATOM 28224 H2 WAT X8712 59.028 3.352 42.841 0.00 0.00 +ATOM 28225 O WAT X8713 5.228 2.720 23.551 0.00 0.00 +ATOM 28226 H1 WAT X8713 5.317 1.789 23.751 0.00 0.00 +ATOM 28227 H2 WAT X8713 5.873 3.149 24.114 0.00 0.00 +ATOM 28228 O WAT X8714 34.168 10.749 2.739 0.00 0.00 +ATOM 28229 H1 WAT X8714 34.212 11.619 3.137 0.00 0.00 +ATOM 28230 H2 WAT X8714 33.231 10.559 2.683 0.00 0.00 +ATOM 28231 O WAT X8715 25.340 24.748 16.787 0.00 0.00 +ATOM 28232 H1 WAT X8715 25.917 23.985 16.758 0.00 0.00 +ATOM 28233 H2 WAT X8715 25.927 25.485 16.959 0.00 0.00 +ATOM 28234 O WAT X8716 11.360 52.344 21.979 0.00 0.00 +ATOM 28235 H1 WAT X8716 10.946 53.038 21.465 0.00 0.00 +ATOM 28236 H2 WAT X8716 11.810 52.805 22.686 0.00 0.00 +ATOM 28237 O WAT X8717 3.145 37.116 51.194 0.00 0.00 +ATOM 28238 H1 WAT X8717 3.399 36.465 50.539 0.00 0.00 +ATOM 28239 H2 WAT X8717 2.460 36.687 51.705 0.00 0.00 +ATOM 28240 O WAT X8718 51.948 55.464 41.494 0.00 0.00 +ATOM 28241 H1 WAT X8718 51.470 55.430 40.666 0.00 0.00 +ATOM 28242 H2 WAT X8718 51.452 54.892 42.080 0.00 0.00 +ATOM 28243 O WAT X8719 74.318 37.450 46.734 0.00 0.00 +ATOM 28244 H1 WAT X8719 74.847 37.688 45.972 0.00 0.00 +ATOM 28245 H2 WAT X8719 73.444 37.289 46.377 0.00 0.00 +ATOM 28246 O WAT X8720 54.815 2.462 3.576 0.00 0.00 +ATOM 28247 H1 WAT X8720 54.829 2.457 2.618 0.00 0.00 +ATOM 28248 H2 WAT X8720 55.601 1.979 3.830 0.00 0.00 +ATOM 28249 O WAT X8721 40.625 1.526 15.458 0.00 0.00 +ATOM 28250 H1 WAT X8721 40.778 0.974 16.224 0.00 0.00 +ATOM 28251 H2 WAT X8721 40.866 0.975 14.713 0.00 0.00 +ATOM 28252 O WAT X8722 21.611 13.182 46.379 0.00 0.00 +ATOM 28253 H1 WAT X8722 22.468 12.946 46.733 0.00 0.00 +ATOM 28254 H2 WAT X8722 21.781 13.946 45.828 0.00 0.00 +ATOM 28255 O WAT X8723 1.695 7.667 31.552 0.00 0.00 +ATOM 28256 H1 WAT X8723 2.268 7.501 30.804 0.00 0.00 +ATOM 28257 H2 WAT X8723 2.068 7.145 32.262 0.00 0.00 +ATOM 28258 O WAT X8724 22.290 36.195 47.806 0.00 0.00 +ATOM 28259 H1 WAT X8724 22.173 36.387 46.875 0.00 0.00 +ATOM 28260 H2 WAT X8724 23.113 36.626 48.037 0.00 0.00 +ATOM 28261 O WAT X8725 40.302 11.525 44.502 0.00 0.00 +ATOM 28262 H1 WAT X8725 41.095 11.795 44.039 0.00 0.00 +ATOM 28263 H2 WAT X8725 40.030 10.719 44.062 0.00 0.00 +ATOM 28264 O WAT X8726 65.295 18.150 52.015 0.00 0.00 +ATOM 28265 H1 WAT X8726 64.572 18.694 52.328 0.00 0.00 +ATOM 28266 H2 WAT X8726 66.074 18.532 52.419 0.00 0.00 +ATOM 28267 O WAT X8727 60.721 10.369 35.949 0.00 0.00 +ATOM 28268 H1 WAT X8727 61.255 9.677 35.559 0.00 0.00 +ATOM 28269 H2 WAT X8727 61.299 10.787 36.587 0.00 0.00 +ATOM 28270 O WAT X8728 49.933 23.232 56.204 0.00 0.00 +ATOM 28271 H1 WAT X8728 49.671 22.504 55.640 0.00 0.00 +ATOM 28272 H2 WAT X8728 50.841 23.041 56.436 0.00 0.00 +ATOM 28273 O WAT X8729 60.766 50.769 51.843 0.00 0.00 +ATOM 28274 H1 WAT X8729 60.345 50.431 52.633 0.00 0.00 +ATOM 28275 H2 WAT X8729 61.228 51.554 52.135 0.00 0.00 +ATOM 28276 O WAT X8730 76.176 18.757 22.234 0.00 0.00 +ATOM 28277 H1 WAT X8730 75.858 18.267 22.992 0.00 0.00 +ATOM 28278 H2 WAT X8730 75.444 18.746 21.617 0.00 0.00 +ATOM 28279 O WAT X8731 15.939 59.062 50.791 0.00 0.00 +ATOM 28280 H1 WAT X8731 15.485 59.868 51.038 0.00 0.00 +ATOM 28281 H2 WAT X8731 16.832 59.342 50.592 0.00 0.00 +ATOM 28282 O WAT X8732 0.486 44.545 52.757 0.00 0.00 +ATOM 28283 H1 WAT X8732 0.841 44.537 53.646 0.00 0.00 +ATOM 28284 H2 WAT X8732 -0.094 43.785 52.725 0.00 0.00 +ATOM 28285 O WAT X8733 14.456 57.060 10.547 0.00 0.00 +ATOM 28286 H1 WAT X8733 15.026 56.405 10.145 0.00 0.00 +ATOM 28287 H2 WAT X8733 14.064 57.524 9.808 0.00 0.00 +ATOM 28288 O WAT X8734 4.066 13.896 24.177 0.00 0.00 +ATOM 28289 H1 WAT X8734 3.497 14.662 24.097 0.00 0.00 +ATOM 28290 H2 WAT X8734 4.947 14.259 24.262 0.00 0.00 +ATOM 28291 O WAT X8735 2.027 30.761 8.864 0.00 0.00 +ATOM 28292 H1 WAT X8735 1.831 30.078 8.223 0.00 0.00 +ATOM 28293 H2 WAT X8735 2.712 30.383 9.416 0.00 0.00 +ATOM 28294 O WAT X8736 40.629 46.249 11.697 0.00 0.00 +ATOM 28295 H1 WAT X8736 41.212 45.492 11.741 0.00 0.00 +ATOM 28296 H2 WAT X8736 39.883 45.947 11.178 0.00 0.00 +ATOM 28297 O WAT X8737 67.522 45.148 29.051 0.00 0.00 +ATOM 28298 H1 WAT X8737 67.368 44.637 29.846 0.00 0.00 +ATOM 28299 H2 WAT X8737 66.663 45.509 28.829 0.00 0.00 +ATOM 28300 O WAT X8738 55.922 13.765 9.964 0.00 0.00 +ATOM 28301 H1 WAT X8738 55.682 14.192 9.141 0.00 0.00 +ATOM 28302 H2 WAT X8738 55.104 13.723 10.459 0.00 0.00 +ATOM 28303 O WAT X8739 48.976 13.297 4.912 0.00 0.00 +ATOM 28304 H1 WAT X8739 49.284 12.710 4.221 0.00 0.00 +ATOM 28305 H2 WAT X8739 49.027 12.773 5.712 0.00 0.00 +ATOM 28306 O WAT X8740 50.992 47.627 4.459 0.00 0.00 +ATOM 28307 H1 WAT X8740 51.325 47.696 5.354 0.00 0.00 +ATOM 28308 H2 WAT X8740 50.377 46.894 4.488 0.00 0.00 +ATOM 28309 O WAT X8741 58.529 21.061 48.000 0.00 0.00 +ATOM 28310 H1 WAT X8741 59.275 20.723 47.505 0.00 0.00 +ATOM 28311 H2 WAT X8741 58.025 20.283 48.237 0.00 0.00 +ATOM 28312 O WAT X8742 38.437 48.484 52.992 0.00 0.00 +ATOM 28313 H1 WAT X8742 38.343 47.552 52.795 0.00 0.00 +ATOM 28314 H2 WAT X8742 39.325 48.701 52.708 0.00 0.00 +ATOM 28315 O WAT X8743 59.778 55.571 46.235 0.00 0.00 +ATOM 28316 H1 WAT X8743 59.249 54.774 46.280 0.00 0.00 +ATOM 28317 H2 WAT X8743 59.994 55.663 45.307 0.00 0.00 +ATOM 28318 O WAT X8744 74.784 4.535 17.004 0.00 0.00 +ATOM 28319 H1 WAT X8744 75.284 4.107 16.309 0.00 0.00 +ATOM 28320 H2 WAT X8744 75.449 4.867 17.607 0.00 0.00 +ATOM 28321 O WAT X8745 34.293 54.154 35.486 0.00 0.00 +ATOM 28322 H1 WAT X8745 34.384 55.051 35.808 0.00 0.00 +ATOM 28323 H2 WAT X8745 34.190 54.249 34.539 0.00 0.00 +ATOM 28324 O WAT X8746 5.436 3.010 36.800 0.00 0.00 +ATOM 28325 H1 WAT X8746 4.495 2.978 36.627 0.00 0.00 +ATOM 28326 H2 WAT X8746 5.841 2.775 35.965 0.00 0.00 +ATOM 28327 O WAT X8747 72.379 1.988 49.399 0.00 0.00 +ATOM 28328 H1 WAT X8747 72.772 1.120 49.308 0.00 0.00 +ATOM 28329 H2 WAT X8747 71.911 2.126 48.575 0.00 0.00 +ATOM 28330 O WAT X8748 21.696 22.575 6.553 0.00 0.00 +ATOM 28331 H1 WAT X8748 22.562 22.709 6.937 0.00 0.00 +ATOM 28332 H2 WAT X8748 21.125 22.404 7.302 0.00 0.00 +ATOM 28333 O WAT X8749 67.643 45.005 20.975 0.00 0.00 +ATOM 28334 H1 WAT X8749 67.801 45.911 20.712 0.00 0.00 +ATOM 28335 H2 WAT X8749 67.186 44.616 20.229 0.00 0.00 +ATOM 28336 O WAT X8750 4.517 42.498 34.681 0.00 0.00 +ATOM 28337 H1 WAT X8750 4.462 42.959 33.844 0.00 0.00 +ATOM 28338 H2 WAT X8750 3.615 42.476 35.002 0.00 0.00 +ATOM 28339 O WAT X8751 10.565 19.291 6.154 0.00 0.00 +ATOM 28340 H1 WAT X8751 9.972 19.808 6.699 0.00 0.00 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H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 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H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O 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O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +%FLAG CHARGE +%FORMAT(5E16.8) + 2.04636429E+00 -6.67300626E+00 2.04636429E+00 2.04636429E+00 1.08823576E+01 + -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -5.64891300E-02 1.54889550E+00 + -6.56002800E-02 3.11601330E-01 3.11601330E-01 -1.17533835E+00 6.41424960E-01 + 6.41424960E-01 1.26663207E+01 -1.10900918E+01 -1.71417176E+01 7.74629973E+00 + 7.74629973E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 + 3.42579240E-01 1.60538463E+00 -8.41870260E-01 7.32536460E-01 7.32536460E-01 + -4.84713180E-01 -6.94451853E+00 6.64931727E+00 3.74832711E+00 2.53654416E+00 + -1.04359112E+01 2.35432116E+00 2.09009781E+00 1.08841798E+01 -1.03484442E+01 + 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32 + 33 34 35 36 44 53 63 74 86 99 + 113 128 144 161 37 38 39 40 41 42 + 43 44 45 54 64 75 87 100 114 129 + 145 162 46 47 48 49 50 51 52 53 + 54 55 65 76 88 101 115 130 146 163 + 56 57 58 59 60 61 62 63 64 65 + 66 77 89 102 116 131 147 164 67 68 + 69 70 71 72 73 74 75 76 77 78 + 90 103 117 132 148 165 79 80 81 82 + 83 84 85 86 87 88 89 90 91 104 + 118 133 149 166 92 93 94 95 96 97 + 98 99 100 101 102 103 104 105 119 134 + 150 167 106 107 108 109 110 111 112 113 + 114 115 116 117 118 119 120 135 151 168 + 121 122 123 124 125 126 127 128 129 130 + 131 132 133 134 135 136 152 169 137 138 + 139 140 141 142 143 144 145 146 147 148 + 149 150 151 152 153 -1 154 155 156 157 + 158 159 160 161 162 163 164 165 166 167 + 168 169 -1 171 +%FLAG RESIDUE_LABEL +%FORMAT(20a4) +ACE GLN HID PRO SER HID GLU LEU LEU LYS GLU ASN GLY PHE THR GLN HID VAL TYR HID +LYS TYR ARG ARG ARG CYS LEU ASN GLU ARG LYS ARG LEU GLY ILE GLY GLN SER GLN GLU +MET ASN THR LEU PHE ARG PHE TRP SER PHE PHE LEU ARG ASP HID PHE ASN LYS LYS MET +TYR GLU GLU PHE LYS GLN LEU ALA LEU GLU ASP ALA LYS GLU GLY TYR ARG TYR GLY LEU +GLU CYS LEU PHE ARG TYR TYR SER TYR GLY LEU GLU LYS LYS PHE ARG LEU ASP ILE PHE +LYS ASP PHE GLN GLU GLU THR VAL LYS ASP TYR GLU ALA GLY GLN LEU TYR GLY LEU GLU +LYS PHE TRP ALA PHE LEU LYS TYR SER LYS ALA LYS ASN LEU ASP ILE ASP PRO LYS LEU +GLN GLU TYR LEU GLY LYS PHE ARG ARG LEU GLU ASP NME Cl- Cl- Cl- Cl- Cl- Na+ Na+ +Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Cl- Cl- Cl- Cl- Cl- +Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT 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WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT 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+WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT 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N2 H H N2 H H C O N H CX H1 2C H1 H1 SH HS C +O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O +N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC +HC 2C HC HC CO O2 O2 C O N H CX H1 C8 HC HC C8 HC HC C8 +H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 C8 HC HC +C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 +HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N +H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H +CX H1 H1 C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC +HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C HC +HC C O N H H C O N H CX H1 2C H1 H1 OH HO C O N +H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 +2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 2C H1 +H1 S CT H1 H1 H1 C O N H CX H1 2C HC HC C O N H H +C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 +2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT +HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 C8 +HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N +H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N +H CX H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA +CB C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC +HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 CT HC +HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C HC +HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC +C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX +H1 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CC NA H CR +H5 NB CV H4 C O N H CX H1 CT HC HC CA CA HA CA HA CA HA +CA HA CA HA C O N H CX H1 2C HC HC C O N H H C O +N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H +C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H +H H C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C +O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA +C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX +H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA +CA HA CA HA CA HA CA HA CA HA C O N H CX H1 C8 HC HC C8 +HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC +HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 3C HC +CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC HC C O +N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N +H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC +HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 +C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H +CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 H1 C O +N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C +O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H +N2 H H C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO +CA HA CA HA C O N H CX H1 H1 C O N H CX H1 2C HC HC +3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C +HC HC CO O2 O2 C O N H CX H1 2C H1 H1 SH HS C O N H +CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX +H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX +H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C +O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA +C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA +HA C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC +HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 H1 +C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C +O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 +C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H +CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O +N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O +N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 +H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC +HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C +HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 CT HC +HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 C8 HC +HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 +2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA +CA HA CA HA CA HA C O N H CX H1 2C HC HC 2C HC HC C O +N H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O +N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C +H1 CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC CT +HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP +HP N3 H H H C O N H CX H1 2C HC HC CO O2 O2 C O N +H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O +N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT +HC HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C +HC HC C O N H H C O N H CX H1 2C HC HC 3C HC CT HC +HC HC CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA +C OH HO CA HA CA HA C O N H CX H1 H1 C O N H CX H1 +2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C +HC HC 2C HC HC CO O2 O2 C O N H CX H1 C8 HC HC C8 HC HC +C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CA +CA HA CA HA CA HA CA HA CA HA C O N H CX H1 CT HC HC C* +CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CX H1 +CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA +CA HA CA HA C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT +HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP +HP N3 H H H C O N H CX H1 CT HC HC CA CA HA CA HA C +OH HO CA HA CA HA C O N H CX H1 2C H1 H1 OH HO C O N +H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C +O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC HC C8 HC +HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC +C O N H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC +CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H +CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX +H1 2C HC HC CO O2 O2 C O N CT H1 H1 CT HC HC CT HC HC CX +H1 C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 +H H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC +HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C +O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 +CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX +H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 +H1 C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 +H H H C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA +HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H +CA N2 H H N2 H H C O N H CX H1 C8 HC HC C8 HC HC C8 +H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC +3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C +HC HC CO O2 O2 C O N H CX H1 2C HC HC CO O2 O2 C O N +H CT H1 H1 H1 Cl- Cl- Cl- Cl- Cl- Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ +Na+ Na+ Na+ Na+ Na+ Na+ Na+ Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- Cl- +Cl- Cl- Cl- Cl- OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW 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OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW 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+HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +%FLAG TREE_CHAIN_CLASSIFICATION +%FORMAT(20a4) +M M E E M E M E M E 3 E E 3 E E B E B E +E M E M E M E 3 E E B S E S E S B E M E +M 3 E E 3 E E B E E M E M E M E M E 3 E +E S E M E M E M E 3 E E B S E S E S B E +M E M E M E 3 E E 3 E E B E E M E M E M +E 3 E E 3 E 3 E E E 3 E E E M E M E M E +3 E E 3 E 3 E E E 3 E E E M E M E M E 3 +E E 3 E E 3 E E 3 E E 3 E E E M E M E M +E 3 E E 3 E E B E E M E M E M E 3 E E B +E B E E M E M E M E E M E M E M E 3 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3 E E E M E +M E M E 3 E E 3 E 3 E E E 3 E E E M E M +E M E 3 E E 3 E E B E E M E M E M E 3 E +E B E E M E M E M E 3 E E E M E M E M E +3 E E 3 E E 3 E E 3 E E 3 E E E M E M E +M E 3 E E 3 E E B E E M E M E M E E M E +M E M E 3 E E B B E B E B S E S E S E M +E M E M E 3 E E 3 E E 3 E E B E B B E E +B E E M E M E M E 3 E E B B E B E B S E +S E S E M E M E M E E M E M E M E 3 E E +3 E 3 E E E 3 E E E M E M E M E 3 E E 3 +E E B E E M E M E M E 3 E E S E M E M E +M E 3 E E 3 E 3 E E E 3 E E E M E M E M +E 3 E E B B E B E B E S E S E M E M E M +E 3 E E 3 E E 3 E E B E B B E E B E E M +E M E M E 3 E E B B E B E B S E S E S E +M E M E M E 3 E E B B E B E B S E S E S +E M E M E M E 3 E E S E M E M E M E 3 E +E B B E B E B S E S E S E M E M E M E E +M E M E M E 3 E E 3 E 3 E E E 3 E E E M +E M E M E 3 E E 3 E E B E E M E M E M E +3 E E 3 E E 3 E E 3 E E 3 E E E M E M E +M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E +M E M E 3 E E B B E B E B E S E S E M E +M E M E 3 E E 3 E E 3 E E B E B B E E B +E E M E M E M E 3 E E 3 E 3 E E E 3 E E +E M E M E M E 3 E E B E E M E M E M E 3 +E 3 E E E 3 E E 3 E E E M E M E M E 3 E +E B B E B E B E S E S E M E M E M E 3 E +E 3 E E 3 E E 3 E E 3 E E E M E M E M E +3 E E B E E M E M E M E 3 E E B B E B E +B E S E S E M E M E M E 3 E E 3 E E B E +B E E M E M E M E 3 E E 3 E E B E E M E +M E M E 3 E E 3 E E B E E M E M E M E 3 +E 3 E E E S E M E M E M E 3 E 3 E E E 3 +E E E M E M E M E 3 E E 3 E E 3 E E 3 E +E 3 E E E M E M E M E 3 E E B E E M E M +E M E 3 E E B B E B E B S E S E S E M E +M E M E 3 E E 3 E E B E E M E M E M E 3 +E E E M E M E M E E M E M E M E 3 E E 3 +E E B E B E E M E M E M E 3 E E 3 E 3 E +E E 3 E E E M E M E M E 3 E E B B E B E +B S E S E S E M E M E M E E M E M E M E +3 E E 3 E 3 E E E 3 E E E M E M E M E 3 +E E 3 E E B E E M E M E M E 3 E E 3 E E +3 E E 3 E E 3 E E E M E M E M E 3 E E B +B E B E B E S E S E M E M E M E 3 E E B +B E B E S B E B E B E S E E M E M E M E +3 E E E M E M E M E 3 E E B B E B E B E +S E S E M E M E M E 3 E E 3 E 3 E E E 3 +E E E M E M E M E 3 E E 3 E E 3 E E 3 E +E 3 E E E M E M E M E 3 E E B B E B E B +S E S E S E M E M E M E 3 E E S E M E M +E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M +E M E M E 3 E E E M E M E M E 3 E E 3 E +E 3 E E 3 E E 3 E E E M E M E M E 3 E E +B E B E E M E M E M E 3 E E 3 E 3 E E E +3 E E E M E M E M E 3 E E B E E M E M E +M E 3 E 3 E E E 3 E E 3 E E E M E M E M +E 3 E E B E E M E M 3 E E 3 E E B E E M +E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 +E E E M E M E M E 3 E E 3 E 3 E E E 3 E +E E M E M E M E 3 E E 3 E E B E B E E M +E M E M E 3 E E 3 E E B E E M E M E M E +3 E E B B E B E B S E S E S E M E M E M +E 3 E E 3 E 3 E E E 3 E E E M E M E M E +E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 +E E E M E M E M E 3 E E B B E B E B E S +E S E M E M E M E 3 E E 3 E E 3 E E B E +B B E E B E E M E M E M E 3 E E 3 E E 3 +E E B E B B E E B E E M E M E M E 3 E E +3 E 3 E E E 3 E E E M E M E M E 3 E E 3 +E E B E E M E M E M E 3 E E B E E M E M +E M E E E M M M M M M M M M M M M M M M +M M M M M M M M M M M M M M M M M M M M +M M M M BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA 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+ + +def test_fop_gen(): + """ + Test the generation of a field of points (FOP) centered around a specified point. + + This function tests the `gen_fop` function's ability to generate a field of points with a + given resolution and radius, centered at a specified point. The number of generated points, + the coordinates of a specific point, and the center of the field are verified against expected + values. + + Steps: + 1. Generate a field of points (FOP) using `gen_fop` with specified parameters: + - center: [0.0, 0.0, 0.0] + - resolution: 0.5 + - radius: 10.0 + - round_decimals: 3 + 2. Verify the number of generated points. + 3. Verify the coordinates of a specific point in the field. + 4. Verify the center of the generated field. + + Raises: + AssertionError: If the number of generated points, the coordinates of the specific point, + or the center of the field do not match the expected values. + """ + fop, fop_center = gen_fop( + center=[0.0, 0.0, 0.0], + resolution=0.5, + radius=10.0, + round_decimals=3, + ) + assert len(fop) == 33371 + assert fop[5] == [-2.5, -9.5, -0.5] + assert fop_center == [0.0, 0.0, 0.0] diff --git a/tests/test_pocket_detect.py b/tests/test_pocket_detect.py new file mode 100644 index 0000000..b0f2dbb --- /dev/null +++ b/tests/test_pocket_detect.py @@ -0,0 +1,64 @@ +from typing import MutableMapping + +import MDAnalysis as mda + +from subpex.configs import SubpexConfig +from subpex.pocket.detect import get_fop_pocket_convenience, get_pocket_selection + + +def test_pocket_selection_m7g( + path_m7g_paths: MutableMapping[str, str], m7g_config: SubpexConfig +) -> None: + """ + Test the selection of atoms for the binding pocket in a molecular dynamics simulation. + + This function tests the framework's ability to correctly select atoms that define the + binding pocket based on a specified center, radius, and distance constraint. The selection + is compared against a known selection string from the configuration. + + Args: + path_m7g_paths (dict): Dictionary containing paths to the input files required for the test: + - "ref_pdb": Path to the reference PDB file. + m7g_config (object): Configuration object for the simulation which includes the parameters + for defining the pocket (center, radius, and selection distance). + + Raises: + AssertionError: If the computed pocket selection string does not match the expected value. + """ + # Load structure + u = mda.Universe(path_m7g_paths["ref_pdb"]) + + pocket_selection = get_pocket_selection( + u, + center=m7g_config.pocket.center, # type: ignore + radius=m7g_config.pocket.radius, + water_dist=m7g_config.pocket.water_dist, # type: ignore + ) + assert pocket_selection == m7g_config.pocket.selection_str + + +def test_pocket_fop_gen_m7g( + path_m7g_paths: MutableMapping[str, str], m7g_config: SubpexConfig +) -> None: + """ + Test the generation of the Frame of Pocket (FOP) for the binding pocket in a molecular dynamics simulation. + + This function tests the framework's ability to generate a Frame of Pocket (FOP) for the binding + pocket by detecting the pocket atoms based on the provided configuration. The number of atoms + and specific coordinates of a known atom are verified against expected values. + + Args: + path_m7g_paths (dict): Dictionary containing paths to the input files required for the test: + - "ref_pdb": Path to the reference PDB file. + m7g_config (object): Configuration object for the simulation which includes settings for + detecting the pocket. + + Raises: + AssertionError: If the number of detected pocket atoms or the coordinates of a specific + atom do not match the expected values. + """ + u = mda.Universe(path_m7g_paths["ref_pdb"]) + fop_frame = get_fop_pocket_convenience(u.atoms, m7g_config) + + assert len(fop_frame) == 1057 + assert fop_frame[57] == [31.5, 38.5, 31.0] diff --git a/tests/test_traj_compute.py b/tests/test_traj_compute.py new file mode 100644 index 0000000..df64913 --- /dev/null +++ b/tests/test_traj_compute.py @@ -0,0 +1,125 @@ +import os +import shutil + +import MDAnalysis as mda +import numpy as np + +from subpex.data.compute import run_compute_data +from subpex.pocket.detect import get_fop_pocket_convenience + + +def test_traj_data_m7g(path_m7g_paths, m7g_config, tmp_dir): + """ + Test the computation of auxiliary data during a simulation for the binding pocket descriptors. + + This function tests the framework's ability to compute various descriptors for a binding pocket + in a molecular dynamics simulation. The test uses a predefined PDB reference structure, + topology, and trajectory files, and verifies the computed auxiliary data against known values. + + Args: + path_m7g_paths (dict): Dictionary containing paths to the input files required for the test: + - "ref_pdb": Path to the reference PDB file. + - "topo": Path to the topology file. + - "traj": Path to the trajectory file. + m7g_config (object): Configuration object for the simulation which includes settings and + parameters for computing the auxiliary data. + tmp_dir (str): Path to a temporary directory for writing output data during the test. + + Steps: + 1. Load the reference PDB file using MDAnalysis. + 2. Detect the binding pocket using the `get_fop_pocket_convenience` function. + 3. Prepare the directory for writing computed data. + 4. Set the number of calculated points in the configuration. + 5. Run the data computation using `run_compute_data`. + 6. Verify the computed auxiliary data (backbone RMSD, pocket JD, pocket RMSD, + pocket radius of gyration, and pocket volume) against expected values using + `np.allclose`. + + Assertions: + - Check if the computed backbone RMSD values match the expected values. + - Check if the computed pocket JD values match the expected values. + - Check if the computed pocket RMSD values match the expected values. + - Check if the computed pocket radius of gyration values match the expected values. + - Check if the computed pocket volume values match the expected values. + + Raises: + AssertionError: If any of the computed values do not match the expected values. + + Notes: + This test ensures that the framework accurately computes auxiliary data for the + binding pocket during a molecular dynamics simulation, which is crucial for analyzing + the stability and characteristics of the pocket over time. Since the reference structure + is the last frame of the same simulation, properties compared to the reference should + be close to zero. + """ + u = mda.Universe(path_m7g_paths["ref_pdb"]) + fop_ref = get_fop_pocket_convenience(u.atoms, m7g_config) + + write_dir = os.path.join(tmp_dir, "m7g/calc-data/") + if os.path.exists(write_dir): + shutil.rmtree(write_dir) + os.makedirs(write_dir, exist_ok=False) + + run_compute_data( + topo_path=path_m7g_paths["topo"], + traj_path=path_m7g_paths["traj"], + ref_path=path_m7g_paths["ref_pdb"], + fop_ref=fop_ref, + subpex_config=m7g_config, + selection_align_suffix=" and backbone", + write=False, + write_dir=write_dir, + ) + + assert np.allclose( + np.array( + [ + 1.1303496360778809, + 1.1373416185379028, + 1.0807933807373047, + 0.9600823521614075, + 0.8374161720275879, + ] + ), + np.array(m7g_config.data.aux.backbone_rmsd.values), + ) + assert np.allclose( + np.array( + [ + 0.16315789473684206, + 0.28441127694859036, + 0.2343059239610964, + 0.22831858407079642, + 0.24537037037037035, + ] + ), + np.array(m7g_config.data.aux.pocket_jd.values), + ) + assert np.allclose( + np.array( + [ + 1.5243936777114868, + 1.889655351638794, + 2.2993032932281494, + 1.395134687423706, + 1.8448500633239746, + ] + ), + np.array(m7g_config.data.aux.pocket_rmsd.values), + ) + assert np.allclose( + np.array( + [ + 3.1923352274061543, + 3.1152869440628796, + 3.1127554945582774, + 3.10684407247731, + 3.051189269768271, + ] + ), + np.array(m7g_config.data.aux.pocket_rog.values), + ) + assert np.allclose( + np.array([129.625, 126.25, 117.875, 121.5, 109.125]), + np.array(m7g_config.data.aux.pocket_volume.values), + ) diff --git a/tests/tmp/.gitignore b/tests/tmp/.gitignore new file mode 100644 index 0000000..c96a04f --- /dev/null +++ b/tests/tmp/.gitignore @@ -0,0 +1,2 @@ +* +!.gitignore \ No newline at end of file diff --git a/utils/git_diff.sh b/utils/git_diff.sh deleted file mode 100755 index c37e80d..0000000 --- a/utils/git_diff.sh +++ /dev/null @@ -1 +0,0 @@ -git difftool --tool=vimdiff diff --git a/west.cfg b/west.cfg index a117990..ec38593 100644 --- a/west.cfg +++ b/west.cfg @@ -1,7 +1,7 @@ # The master WEST configuration file for a simulation. # vi: set filetype=yaml : --- -west: +west: system: driver: adaptive.System module_path: $WEST_SIM_ROOT/adaptive_binning/ @@ -34,10 +34,6 @@ west: - name: rog - name: jd - #- name: fop - # loader: aux_functions.coord_loader - # enabled: true - propagator: executable: $WEST_SIM_ROOT/westpa_scripts/runseg.sh stdout: $WEST_SIM_ROOT/seg_logs/{segment.n_iter:06d}-{segment.seg_id:06d}.log @@ -48,11 +44,11 @@ west: SEG_DEBUG: 1 get_pcoord: executable: $WEST_SIM_ROOT/westpa_scripts/get_pcoord.sh - stdout: /dev/null + stdout: /dev/null stderr: $WEST_SIM_ROOT/job_logs/get_pcoord.log gen_istate: executable: $WEST_SIM_ROOT/westpa_scripts/gen_istate.sh - stdout: /dev/null + stdout: /dev/null stderr: $WEST_SIM_ROOT/job_logs/gen_istate.log post_iteration: enabled: true @@ -62,61 +58,3 @@ west: enabled: false executable: $WEST_SIM_ROOT/westpa_scripts/pre_iter.sh stderr: $WEST_SIM_ROOT/job_logs/pre_iter.log -subpex: - # Location of important files. Some of these will be created by other scripts, - # but you must specify their paths beforehand. NOTE: Be sure to use full (not - # relative) paths. - selection_file: /FULL/PATH/TO/MY_SUBPEX_RUN/reference/selection_string.txt - topology: /FULL/PATH/TO/MY_SUBPEX_RUN/reference/mol.prmtop - west_home: /FULL/PATH/TO/MY_SUBPEX_RUN - reference: /FULL/PATH/TO/MY_SUBPEX_RUN/reference/last_frame.pdb - reference_fop: /FULL/PATH/TO/MY_SUBPEX_RUN/reference/fop_ref.xyz - - # progress coordinates to calculate ("jd" for Jaccard distance, "prmsd" for - # pocket heavy atoms RMSD, "bb" for backbone RMSD, and/or "composite" for - # composite RMSD) - pcoord: - - composite - - # filetype for the fop (field of points). - fop_filetype: xyz - - # Center of the pocket - center: [x, y, z] - - # Radius of the pocket to consider - radius: 10.0 - - # resolution for the FOP points. - resolution: 0.5 - - # auxiliary data to calculate. Make sure it is also on the west part of this - # file. - auxdata: - - prmsd - - pvol - - bb - - rog - - jd - - # Number of point to calculate per trajectory segment. If -1, it will - # calculate all. - calculated_points: -1 - - # Clustering analysis settings - clustering: - clustering_engine: "cpptraj" # cpptraj or MDAnalysis (At the momemnt only cpptraj is implemented) - number_clusters: 25 - max_number_clusters_generation_bin: 25 - min_number_clusters_generation_bin: 3 - clustering_region: "pocket" # pocket or backbone - cluster_generation: true # can't be true at the same time as cluster_bin - cluster_bin: false - bins: - PROG_COORDINATE_CHOSEN: [ BIN, BOUDARIES, "inf" ] - PROG_COORDINATE_CHOSEN: [ BIN, BOUDARIES, "inf" ] - method: hierarchical - # plotting settings (helper scripts) - plotting: - num_walkers: true # plot number of walkers per iteration plot. Useful when NOT using adaptive binning - diff --git a/westpa_scripts/__init__.py b/westpa_scripts/__init__.py deleted file mode 100755 index 8b13789..0000000 --- a/westpa_scripts/__init__.py +++ /dev/null @@ -1 +0,0 @@ - diff --git a/westpa_scripts/gen_istate.sh b/westpa_scripts/gen_istate.sh index c73b5db..58c5bd2 100755 --- a/westpa_scripts/gen_istate.sh +++ b/westpa_scripts/gen_istate.sh @@ -12,4 +12,3 @@ cd $WEST_SIM_ROOT mkdir -p $(dirname $WEST_ISTATE_DATA_REF) ln -s $WEST_BSTATE_DATA_REF $WEST_ISTATE_DATA_REF - diff --git a/westpa_scripts/get_reference_fop.py b/westpa_scripts/get_reference_fop.py deleted file mode 100755 index 8633c08..0000000 --- a/westpa_scripts/get_reference_fop.py +++ /dev/null @@ -1,196 +0,0 @@ -from pcoord import * -from typing import List - - -def get_pocket_selection( - universe, - center: List[float], - radius: float, - selection_file: str, - distance_constraint: float = 6.7, -) -> str: - """Takes the protein and center of the pocket and gets the initial - selection of the pockets based on the user-specified radius. If water - molecules are present, it uses them as a first approximation of the surface - residues. - - Args: - universe (MDAnalysis Universe): MDA universe with protein - center (list): x, y, z coordiantes of the pocket center - radius (float): radius of the pocket to be considered - selection_file (str): filename for the selection pocket - distance_constraint (float, optional): Constraint to use for proximity - to calculate surface residues. Defaults to 6.7. - - Returns: - selection_pocket (str): selection string of the pocket as used in - MDAnalysis - """ - - water_pocket = universe.select_atoms( - f"point {center[0]} {center[1]} {center[2]} {radius} and resname WAT" - ) - residues_pocket = universe.select_atoms( - f"protein and point {center[0]} {center[1]} {center[2]} {radius}" - ) - - if len(water_pocket.residues) == 0: - print( - "There are no water molecules to obtain distances, some burried residues may end up in the pocket selection" - ) - # obtain all residues in the pocket and create a selection pocket string. - pocket_residues = [] - for residue in residues_pocket.residues: - if residue.resid not in pocket_residues: - pocket_residues.append(residue.resid) - selection_pocket = f"resid {pocket_residues[0]} " - for i in pocket_residues[1:]: - selection_pocket += f" or resid {str(i)} " - - else: - distances = [] - list_close_water = [] - # we want to make sure that the residues we are selecting are close to the surface, we will approximate the surface accesible residues - # using water molecules and a distance cutoff for that purpose. - for i in water_pocket.residues: - water = universe.select_atoms(f"resid {i.resid}") - for j in residues_pocket.residues: - residue = universe.select_atoms(f"resid {j.resid}") - distance = calculate_distance_two_points( - water.center_of_geometry(), residue.center_of_geometry() - ) - distances.append(distance) - if distance < distance_constraint and j.resid not in list_close_water: - list_close_water.append(j.resid) - - # creating selection pocket string comaptible with - selection_pocket = f"resid {list_close_water[0]} " - for i in list_close_water[1:]: - selection_pocket += f" or resid {str(i)} " - - # save the pocket selection string so it can be used in other places - selection_pocket += "and (not name H*)" - - with open(selection_file, "w") as f: - f.write(selection_pocket) - - return selection_pocket - - -if __name__ == "__main__": - parser = argparse.ArgumentParser( - description="Obtain FOP for the reference structure" - ) - parser.add_argument( - "settings", - type=str, - help="Define the yaml file with the settings. Most likely should be west.cfg. It is required", - ) - parser.add_argument( - "-mda", - "--selection_mda", - type=str, - help="Define selection for the pocket atoms. It has to a selection string compatible with MDAnalysis", - ) - parser.add_argument( - "-resid", - "--selection_resid", - type=str, - help="Define selection for the pocket atoms. It has to a selection list of residue numebers (e.g. 1 2 3 4 5 6)", - ) - parser.add_argument( - "-dist", - "--distance_constraint", - type=float, - help="Define the distance cosntraint between water and residues center of geometry for pocket selection. Default 6.7", - ) - args = parser.parse_args() - - try: - settings = check_input_settings_file(args.settings) - except IOError as e: - print("Could not load the json file with the settings") - print("make sure the file exists and is correctly formatted") - raise IOError("Could not load the json file with the settings") from e - - # Load the reference file defined in the json file - ref_universe = MDAnalysis.Universe(settings["reference"]) - reference = ref_universe.select_atoms("protein") - - # Define the pocket by the users selection - if args.selection_mda: - try: - pocket_reference = reference.select_atoms(args.selection_mda) - selection_pocket = args.selection_mda - except ValueError: - sys.exit("There is an error on your selection string") - with open(settings["selection_file"], "w") as f: - f.write(args.selection_mda) - - elif args.selection_resid: - # Define the pocket by the user list of residue numbers - try: - [int(x) for x in args.selection_resid.split()] - except ValueError: - sys.exit("Make sure the list only contains residue numbers") - - selection_pocket = f"resid {args.selection_resid.split()[0]} " - for i in args.selection_resid.split()[1:]: - selection_pocket += f" or resid {str(i)} " - selection_pocket += "and (not name H*)" - with open(settings["selection_file"], "w") as f: - f.write(selection_pocket) - - elif args.distance_constraint: - # Define the pocket atoms as all atoms that are at a radius distance of the center point as defined by the user. - selection_pocket = get_pocket_selection( - ref_universe, - settings["center"], - settings["radius"], - settings["selection_file"], - args.distance_constraint, - ) - else: - selection_pocket = get_pocket_selection( - ref_universe, - settings["center"], - settings["radius"], - settings["selection_file"], - ) - - # use selection pocket string to select the pocket and generate the reference field of points (FOP) - pocket_reference = ref_universe.select_atoms(selection_pocket) - reference_coordinates = reference.positions - reference_alpha = pocket_reference.select_atoms("name CA").positions - reference_fop = get_field_of_points_dbscan( - reference_coordinates, - reference_alpha, - settings["center"], - settings["resolution"], - settings["radius"], - ) - - # Save FOP to a xyz, pdb or pickle file. - - if settings["fop_filetype"] == "xyz": - points_to_xyz_file( - settings["reference_fop"], - reference_fop, - settings["resolution"], - settings["radius"], - ) - elif settings["fop_filetype"] == "pickle": - import pickle - - with open(settings["reference_fop"], "wb") as f: - pickle.dump(reference_fop, f) - elif settings["fop_filetype"] == "pdb": - points_to_pdb(settings["reference_fop"], reference_fop) - else: - print("Could not save FOP file") - - print("") - print("Files create successfully:") - print(" " + settings["selection_file"]) - print(" " + settings["reference_fop"]) - diff --git a/westpa_scripts/pcoord.py b/westpa_scripts/pcoord.py deleted file mode 100644 index cb688e5..0000000 --- a/westpa_scripts/pcoord.py +++ /dev/null @@ -1,861 +0,0 @@ -import argparse -from typing import List, Tuple -import MDAnalysis -import numpy as np -import scipy as sp -from MDAnalysis.analysis import align -from sklearn.cluster import DBSCAN -import sys -import logging - - -def check_input_settings_file(filename: str) -> dict: - """Loads the file containing the SubPEx settings and checks that all the - parameters are available. Otherwise, sets defaults if possible. - - Args: - filename (str): filename of the settings yaml file (e.g., west.cfg). - - Raises: - IOError: raises error if files do not exist or can't be read. - - Returns: - settings (dict): settings for running SubPEx and some of the analysis tools. - """ - - import sys - import glob - import yaml - - try: - with open(filename, "r") as f: - settings = yaml.safe_load(f.read()) - settings = settings["subpex"] - except IOError as e: - print("Could not load the configuration file with the settings") - print("make sure the file exists and is correctly formatted") - raise IOError("Could not load the json file with the settings") from e - - # Checking that the coordinates of the center of the pocket are in settings. - if "center" in settings: - if type(settings["center"]) == list and len(settings["center"]) == 3: - if ( - type(settings["center"][0]) == float - and type(settings["center"][0]) == float - and type(settings["center"][0]) == float - ): - pass - else: - logging.critical( - "There is an error with the center parameter in the settings file. Check if each element is a float" - ) - sys.exit("Error with setting center") - else: - logging.critical( - "There is an error with the center parameter in the settings file. Check if it is a list with the XYZ coordinates" - ) - sys.exit("Error with settings center") - - # Checking that we specify which progress coordinates we will print in the pcoord file - available_pcoords = ["jd", "prmsd", "bb", "composite", "pvol", "rog"] - if "pcoord" in settings and len(settings["pcoord"]) < 1 or "pcoord" not in settings: - logging.critical( - "There is an error with the progress coordinate (pcoord) setting. Need to have one of " - + (", ".join(available_pcoords)) - ) - sys.exit("Error with setting pcoord") - else: - for i in settings["pcoord"]: - if i not in available_pcoords: - logging.critical( - "There is an error with the progress coordinate (pcoord) setting. Need to have one of " - + (", ".join(available_pcoords)) - ) - sys.exit(f"Error with setting pcoord: {i} is not a valid pcoord") - # Checking radius is in settings - if "radius" in settings and type(settings["radius"]) == float: - pass - else: - # The default value of 10.9 Angstrom comes from the most common volume for a pocket accordintg to https://doi.org/10.1002/pro.5560070905 - # and approximating the pocket as a spherical pocket. - settings["radius"] = 10.90 - logging.warning( - "Using a default radius value of 10.90 Angstrom. Please check it will encompases all of your pocket." - ) - - # Cheking resolution setting - if "resolution" in settings and type(settings["resolution"]) == float: - pass - else: - settings["resolution"] = 0.5 - logging.warning("Using a default resolution value of 0.5 Angstrom.") - - # Cheking calculated_points setting - if "calculated_points" in settings and type(settings["calculated_points"]) == int: - pass - else: - settings["calculated_points"] = -1 - logging.warning( - "Using a default calculated_points value of -1. This will calculate progress coordinates for all the frames in the trajectory file" - ) - - # Checking west_home setting - if "west_home" not in settings or len(glob.glob(settings["west_home"])) != 1: - logging.critical("There is an error with the west home directory") - sys.exit("There is an error with the west home directory") - elif len(glob.glob(settings["west_home"] + "/traj_segs")) != 1: - logging.warning( - "Could not locate the traj_segs directory. Please be sure it exists and the trajectories are there before running the clustering script. Note: This should not exist if you have not run SubPEx" - ) - else: - pass - if settings["west_home"][-1] != "/": - settings["west_home"] = settings["west_home"] + "/" - - # checking reference and topology files - check_file_exists(settings, "reference") - check_file_exists(settings, "topology") - - # checking that the selection_file exists, it is different for get_reference_fop.py script - if __file__ == "jdistance.py" or __file__ == "clustering.py": - check_file_exists(settings, "selection_file") - else: - if "selection_file" not in settings: - settings["selection_file"] = settings["west_home"] + "/selection_string.txt" - logging.warning( - "Selection file was not determined used the default of {}/selection_string.txt".format( - settings["west_home"] - ) - ) - - # making sure the reference_fop exists and the format is in the settings file - accepted_fop_files = ["xyz", "pdb"] - if ( - "fop_filetype" not in settings - and settings["fop_filetype"] not in accepted_fop_files - ): - settings["fop_filetype"] = "xyz" - - if __file__ == "jdistance.py": - check_file_exists(settings, "reference_fop") - else: - if "reference_fop" not in settings: - settings["reference_fop"] = settings[ - "west_home" - ] + "/reference_fop.{}".format(settings["fop_filetype"]) - logging.warning( - "Selection file was not determined used the default of {}/reference_fop.{}".format( - settings["west_home"] - ), - settings["fop_filetype"], - ) - - logging.info("The parameters used for {} are {}".format(__file__, settings)) - return settings - - -def check_file_exists(settings: dict, keyword: str): - """Checks that the keyword is in the dictionary settings and that the file - associated with the keyword exists. - - Args: - settings (dict): dictionary with settings for subpex - keyword (str): keyword of the setting to check the file exists. - """ - import sys - import glob - - if keyword not in settings or len(glob.glob(settings[keyword])) != 1: - logging.critical( - "There is an error with the {} parameter, could not locate the file".format( - keyword - ) - ) - sys.exit("There is an error with the {} file".format(keyword)) - else: - pass - - -def points_to_pdb(filename: str, coordinates: List[List[float]]): - """Writes a pdb file full of C-alphas so users can visualize the field of - points in software such as VMD. - - Args: - filename (str): name of the pdb file to create. - coordinates (list of lists): XYZ coordinates of the field of points to - write to pdb file. - """ - - # TODO: Erich - modify to be able to do multiframe pdb - with open(filename, "w") as f: - # f.write(header) - atom_number = 1 - for i in coordinates: - text = "ATOM" + "{:>7}".format(atom_number) - text += "{:^6}".format("CA") - text += "{:>3}".format("ALA") - text += "{:>6}".format("A") - text += "{:>12}".format(i[0]) - text += "{:>8}".format(i[1]) - text += "{:>8}".format(i[2]) - text += "{:>6}".format("1.0") - text += "{:>6}".format("1.0") - text += "\n" - f.write(text) - atom_number += 1 - f.write("\n") - - -def parse_pdb_fop(filename: str) -> List[List[float]]: - """Opens the field of points that is stored in a pdb file with name - 'filename', parse it and return the fop as a list of lists. - - Args: - filename (string): name of the pdb file with the field of points. - - Returns: - fop (list of lists): XYZ coordinates of the field of points. - """ - - with open(filename, "r") as f: - text = f.readlines() - fop = [] - for line in text: - if line.startswith("ATOM"): - split = line.split() - x = float(split[4]) - y = float(split[5]) - z = float(split[6]) - fop.append([x, y, z]) - else: - pass - return fop - - -def parse_xyz_fop(filename: str) -> List[List[float]]: - """Reads a filename and parses the field of points to convert it into a - list of lists. - - Args: - filename (str): filename of the field of points to open and parse - - Returns: - fop (list of lists): x, y, z coordinates of the field of points - """ - - # open reference fop xyz file - with open(filename, "r") as f: - text = f.readlines() - - # parse xyz file - fop = [] - for i in text[2:]: - line = i.split() - if len(line) == 4: - point = [float(line[1]), float(line[2]), float(line[3])] - fop.append(point) - else: - pass - - return fop - - -def points_to_xyz_file( - filename: str, coordinates: List[List[float]], resolution: float, radius: float -): - """Takes the coordinates and the resolution, writes write an xyz file that - users can load into visualization software such as VMD. - - Args: - filename (str): name for the xyz file to be created. - coordinates (list of lists): contains XYZ coordinates for each atom. - resolution (float): resolution in Angstroms. - radius (float): radius in Angstrom for the field of points. - """ - - # calculate the volume using the resolution - # TODO: Erich - modify to be able to do multiframe xyz - volume = len(coordinates) * (resolution ** 3) - - # Writing the xyz file. - with open(filename, "w") as f: - f.write(str(len(coordinates)) + "\n") - f.write( - "Generated in SubPEx. Res: {res} Rad: {dim} Ang Volume: {vol} Ang^3 \n".format( - res=resolution, dim=radius, vol=volume - ) - ) - # Adding each coordinate as a C-alpha for visualization purposes - for i in coordinates: - f.write(f"CA {i[0]} {i[1]} {i[2]} \n") - - -def calculate_distance_two_points(point1: List[float], point2: List[float]) -> float: - """Calculates the distance between two points in a 3D coordinate system. - - Args: - point1 (list): coordinates of first point. [x, y, z] - point2 (list): coordinates of second point. [x, y, z] - - Returns: - distance (float): distance between point1 and point2. - """ - - distance = 0 - for i in range(len(point1)): - distance += (point1[i] - point2[i]) ** 2 - - return np.sqrt(distance) - - -def field_of_points( - center: List[float], resolution: float, radius: float -) -> Tuple[List[List[float]], List[float]]: - """Snaps the provided center to the a center congruent to the resolution - and radius given by the user. Then generates a spherical field of points - (FOP) with radius = radius/2 with points spaced "resolution" apart. - - Args: - center (list): provided center coordinates. [X, Y, Z] - resolution (float): Distance between points which give resolution of the - pocket volume calculator method. - radius (float): Defines the radius of the sphere of the FOP. - - Returns: - field_of_points (list of lists): a spherical field of points - center (list): center of the field of points - """ - - # This part of the code will get a new center, a snapped center. - snapped_x = np.around(center[0] / resolution) * resolution - snapped_y = np.around(center[1] / resolution) * resolution - snapped_z = np.around(center[2] / resolution) * resolution - center = np.around(np.array([snapped_x, snapped_y, snapped_z], float), 3) - - # Getting the field of points around the center. - xs = np.round( - np.arange(center[0] - radius, center[0] + radius + resolution, resolution), 3 - ) - ys = np.round( - np.arange(center[1] - radius, center[1] + radius + resolution, resolution), 3 - ) - zs = np.round( - np.arange(center[2] - radius, center[2] + radius + resolution, resolution), 3 - ) - field_of_points = np.vstack(np.meshgrid(xs, ys, zs)).reshape(3, -1).T - - # making the field of points a sphere of radius = radius/2. - field_of_points = [ - x for x in field_of_points if calculate_distance_two_points(x, center) < radius - ] - - return field_of_points, center - - -def get_trimmed_fop( - field_of_points: List[List[float]], atoms_points: List[List[float]] -) -> List[List[float]]: - """Removes points that clash with atoms within the field of points. - - Args: - field_of_points (list of lists): a field of points to be trimmed of - collisions with atoms - atoms_points (list of lists): coordinates of atoms within the field of points. - - Returns: - trimmed_fop (list of lists): a field of points without clashes - """ - - # Generating cKDTrees to obtain distances - atoms_tree = sp.spatial.cKDTree(atoms_points) - fop_tree = sp.spatial.cKDTree(field_of_points) - - # get indices of fop_tree that are close to atoms_tree - # We use the Van der Waals radius of water and that of hydrogen atom - vdw_radius = 2.6 - clash_indices = atoms_tree.query_ball_tree(fop_tree, vdw_radius, p=2, eps=0) - for index in clash_indices: - for item in index: - field_of_points[item] = None - - # Creating the FOP that does not contain points that clash with the atoms - # provided to the function. - trimmed_fop = [] - for i in field_of_points: - if type(i) == np.ndarray: - trimmed_fop.append(i) - else: - pass - - return trimmed_fop - - -def get_field_of_points_dbscan( - protein: List[List[float]], - alphas: List[List[float]], - center: List[float], - resolution: float, - radius: float, -) -> List[List[float]]: - """Takes the coordinates of the protein and the coordinates of alpha - carbons and calculates the field of points (FOP). - - Args: - protein (list of lists): coordinates of protein atoms. - alphas (list of lists): coordinates of all alpha carbons. - center (list): center of the pocket (user defined). - resolution (float): resolution for the FOP (user defined). - radius (float): radius of sphere for FOP (user defined). - - Returns: - pocket (list of lists): pocket shape as a field of points. - """ - - # get starting FOP and snapped center - fop, center = field_of_points(center, resolution, radius) - # trim protein atoms to those within the FOP sphere. - trimmed_coords_protein = [ - x for x in protein if calculate_distance_two_points(x, center) < radius - ] - # remove points in FOP that have steric clashes with protein. - trimmed_fop = get_trimmed_fop(fop, trimmed_coords_protein) - # remove points outside the convex hull created by the alpha carbons in the pocket. - pocket = remove_convex_fop(trimmed_fop, alphas) - pocket = cluster_dbscan(pocket) - - return pocket - - -def cluster_dbscan(fop: List[List[float]]) -> List[List[float]]: - """Takes the coordinates of the field of points (fop) and uses a clustering - algorithm to trim the fop to the points. Keeps the cluster that contains - the center of the pocket. - - Args: - fop (list of list): coordinates of field of points. - - Returns: - fop (list of list): field of points after clustering - """ - - if len(fop) == 0: - # sometimes no points are present in the FOP. - return [] - - db = DBSCAN(eps=0.5, min_samples=2).fit(fop) - labels = db.labels_ - n_clusters_ = len(set(labels)) - (1 if -1 in labels else 0) - - if n_clusters_ == 0: - # In some cases, even when fop has a few points, there are no clusters. - # In this case, just return an empty list. - return [] - - longest = "" - clusters = {} - for i in range(n_clusters_): - clusters["Cluster_" + str(i + 1)] = [] - - for i, coord in enumerate(fop): - if labels[i] != -1: - clusters["Cluster_" + str(labels[i] + 1)].append(coord) - else: - pass - - for i in clusters: - if longest == "" or len(clusters[i]) > len(clusters[longest]): - longest = i - - return clusters[longest] - - -def get_jaccard_distance( - reference_fop: List[List[float]], segment_fop: List[List[float]], resolution: float -) -> float: - """Calculates the Jaccard distance between the points in reference_fop and - the segment_fop. Uses the distance between points to calculate the intersection. - - Args: - reference_fop (list of lists): reference FOP. - segment_fop (list of lists): segment FOP. - resolution (float): resolution used to create FOP. - - Returns: - jaccard (float): Jaccard distance. - """ - - if len(segment_fop) == 0: - # sometimes no points are present in the FOP. - return 1.0 - - # Obtaining the trees for both field of points - reference_tree = sp.spatial.cKDTree(reference_fop) - segment_tree = sp.spatial.cKDTree(segment_fop) - - # Obtain the points that are at less than resolution/2.5 (aka have the same - # coordinates) - clash_indices = reference_tree.query_ball_tree( - segment_tree, resolution / 2.5, p=2, eps=0 - ) - - # Count the points that intersect and convert to float - intersection = len([x for x in clash_indices if x]) / 1.0 - - # Obtain the union of both FOP - union = float(len(reference_fop) + len(segment_fop) - intersection) - - # Calculate Jaccard distance - jaccard = 1 - intersection / union - - return jaccard - - -def point_in_hull(point: List[float], hull, tolerance: float = 1e-12) -> bool: - """Determines if a point is contained in a hull. A point is in the hull if - and only if for every equation (describing the facets), the dot product - between the point and the normal vector (eq[:-1]) plus the offset (eq[-1]) - is less than or equal to zero. You may want to compare to a small, positive - constant tolerance = 1e-12 rather than to zero because of issues of - numerical precision (otherwise, you may find that a vertex of the convex - hull is not in the convex hull). - - Args: - point (list): coordinates of the point to be considered. - hull (scipy.spatial.ConvexHull): Convex hulls in N dimensions. - tolerance (flaot, optional): tolerance for the calcualtion. Defaults - to 1e-12. - - Returns: - (bool): returns True if point in hull, False otherwise - """ - - return all((np.dot(eq[:-1], point) + eq[-1] <= tolerance) for eq in hull.equations) - - -def remove_convex_fop( - trimmed_fop: List[List[float]], trimmed_alpha: List[List[float]] -) -> List[List[float]]: - """Uses a convex hull to trim points from the field of points that are - outside of the protein pocket. - - Args: - trimmed_fop (list of lists): field of points trimmed of clashes with - atoms. - trimmed_alpha (list of lists): alpha atoms to define the convex hull. - - Returns: - points_in_hull (list of lists): FOP trimmed of points outside the - convex hull defined by the protein. - """ - - points_in_hull = [] - trimmed_alpha_convex = sp.spatial.ConvexHull(trimmed_alpha) - for point in trimmed_fop: - if point_in_hull(point, trimmed_alpha_convex): - points_in_hull.append(point) - return points_in_hull - - -def calculate_pocket_gyration(pocket: List[List[float]]) -> float: - """Takes the xyz coordinates of a field of points and calculates the radius - of gyration. It assumes a mass of one for all the points. - - Args: - pocket (list of lists): the field of points defining the pocket shape. - - Returns: - radius_of_gyration (float): radius of gyration of the pocket. - """ - - mass = len(pocket) - - if mass == 0: - # Sometimes there are no points. - return -9999 - - centroid = get_centroid(pocket) - gyration_radius = 0 - for i in pocket: - gyration_radius += (calculate_distance_two_points(i, centroid)) ** 2 - - return np.sqrt(gyration_radius / mass) - - -def get_centroid(pocket: List[List[float]]) -> List[float]: - """Calculates the centroid or the center of mass for equal masses of a - field of points. - - Args: - pocket (list of lists): the field of points defining the pocket shape. - - Returns: - centroid (list): coordinates of the centroid of the pocket. - """ - - x = np.mean([x[0] for x in pocket]) - y = np.mean([y[1] for y in pocket]) - z = np.mean([z[2] for z in pocket]) - return [x, y, z] - - -if __name__ == "__main__": - # Get arguments and load json settings file. - parser = argparse.ArgumentParser( - description="Obtain jaccard distance using a reference, a topology file and a MD trajectory file." - ) - parser.add_argument( - "crd_file", type=str, help="Define the coordiante file. It is required" - ) - parser.add_argument( - "settings", - type=str, - help="Define the json file with the settings. It is required", - ) - parser.add_argument( - "--csv", - type=str, - help="will save results in an csv file with the provided filename", - ) - parser.add_argument( - "--we", - action="store_true", - help="Use this when you are using this for a progress coordinate " - "calculation in a weighted ensemble simulation", - ) - - args = parser.parse_args() - # Function that obtains and checks for settings in the settings json file. - settings = check_input_settings_file(args.settings) - # Checking the the trajectory doesn't have a rattle error. - try: - with open("seg.log", "r") as f: - line = f.readline() - while line: - if "RATTLE" in line: - print("There was an error with the simulation") - sys.exit("There was an error with the simulation") - else: - line = f.readline() - except: - print("Could not check log file. There could be a problem with the simulation") - - # Load reference pdb file and trajectory to then align the trajectory using - # the reference. - ref_universe = MDAnalysis.Universe(settings["reference"]) - reference = ref_universe.select_atoms("protein") - ensemble = MDAnalysis.Universe(settings["topology"], args.crd_file) - - # open file with selection string - with open(settings["selection_file"], "r") as f: - selection_pocket = f.readlines()[0] - - # open file with reference field of points - if settings["fop_filetype"] == "xyz": - reference_fop = parse_xyz_fop(settings["reference_fop"]) - elif settings["fop_filetype"] == "pdb": - # TODO: Erich - make parse_pdb_fop function - reference_fop = parse_pdb_fop(settings["reference_fop"]) - elif settings["fop_filetype"] == "pickle": - import pickle - - with open(settings["reference_fop"], "rb") as f: - reference_fop = pickle.load(f) - else: - print("could not open reference FOP") - raise IOError("could not open reference FOP") - - # Using the selection string to select atoms in the pocket - pocket_reference = reference.select_atoms(selection_pocket) - - # Obtain coordinates for reference atoms and coordinates for alpha carbons. - reference_coordinates = reference.positions - - # Define the number of times that the progress coordinates and auxiliary - # info will be calculated. - if settings["calculated_points"] == -1: - num_points = len(ensemble.trajectory) - else: - num_points = settings["calculated_points"] - - # Create a dictionary with all the elements to calculate - results = {} - - for i in settings["pcoord"]: - results[i] = [] - for i in settings["auxdata"]: - results[i] = [] - if "composite" in results.keys(): - if "prmsd" not in results: - results["prmsd"] = [] - if "bb" not in results: - results["bb"] = [] - - # this section is for the WESTPA analysis tools to work. The first point - # must be initial point. - if args.we: - with open("parent_pcoord.txt", "r") as f: - initial_pcoords = f.readlines()[-1].split() - - for i, value in enumerate(initial_pcoords): - results[settings["pcoord"][i]].append(float(value)) - - if "jd" in results.keys() and "fops" in settings["auxdata"]: - with open("parent_fop.txt", "r") as f: - results["fops"].append(f.readlines()) - - if "pvol" in settings["auxdata"]: - with open("parent_pvol.txt", "r") as f: - results["pvol"].append(float(f.readlines()[-1])) - - if "rog" in settings["auxdata"]: - with open("parent_rog.txt", "r") as f: - results["rog"].append(float(f.readlines()[-1])) - - if "bb" in settings["auxdata"]: - with open("parent_bb.txt", "r") as f: - results["bb"].append(float(f.readlines()[-1])) - - if "prmsd" in settings["auxdata"]: - with open("parent_prmsd.txt", "r") as f: - results["prmsd"].append(float(f.readlines()[-1])) - - if "jd" in settings["auxdata"]: - with open("parent_jd.txt", "r") as f: - results["jd"].append(float(f.readlines()[-1])) - - if "composite" in settings["auxdata"]: - with open("parent_composite.txt", "r") as f: - results["composite"].append(float(f.readlines()[-1])) - - # get selction string for alignment - selection_alignment = selection_pocket + " and backbone" - - # if we are calculating the composite - if "composite" in results.keys(): - if "sigma" in settings: - sigma = settings["sigma"] - else: - sigma = ( - 1 - - len(reference.select_atoms(selection_alignment)) - / len(reference.select_atoms("backbone")) - ) / 2 - - # loop through frames of walker and calculate pcoord and auxdata - for frame in np.linspace(0, len(ensemble.trajectory) - 1, num_points, dtype=int): - ensemble.trajectory[frame] - protein = ensemble.select_atoms("protein") - # align the frame to the reference - align.alignto(protein, reference, select=selection_alignment) - # calculate pocket RMSD if needed - if "prmsd" in results.keys(): - results["prmsd"].append( - MDAnalysis.analysis.rms.rmsd( - pocket_reference.positions, - ensemble.select_atoms(selection_pocket).positions, - ) - ) - - # The next lines calculate the Jaccard distance of the pocket comparing - # it to the reference - if ( - "jd" in results.keys() - or "fops" in results.keys() - or "pvol" in results.keys() - or "rog" in results.keys() - ): - frame_coordinates = ensemble.select_atoms("protein").positions - pocket_calpha = ensemble.select_atoms( - selection_pocket + " and name CA*" - ).positions - frame_fop = get_field_of_points_dbscan( - frame_coordinates, - pocket_calpha, - settings["center"], - settings["resolution"], - settings["radius"], - ) - results["jd"].append( - get_jaccard_distance(reference_fop, frame_fop, settings["resolution"]) - ) - - if "fops" in results.keys(): - results["fops"].append(frame_fop) - - if "pvol" in results.keys(): - results["pvol"].append(len(frame_fop) * (settings["resolution"] ** 3)) - - if "rog" in results.keys(): - results["rog"].append(calculate_pocket_gyration(frame_fop)) - - if "bb" in results.keys(): - align.alignto(protein, reference, select="backbone") - results["bb"].append( - MDAnalysis.analysis.rms.rmsd( - reference.select_atoms("backbone").positions, - protein.select_atoms("backbone").positions, - ) - ) - - if "composite" in results.keys(): - results["composite"].append( - results["prmsd"][-1] + (sigma * results["bb"][-1]) - ) - - # writing in text files the progress coordinates and the required auxiliary - # data if needed. - with open("pcoord.txt", "w") as f: - for i in range(len(results[settings["pcoord"][0]])): - line = "" - for pcoord in settings["pcoord"]: - line += "{:.4f} ".format(results[pcoord][i]) - f.write(line + "\n") - - # save fop in file so it can be piped to h5 file - if "fops" in results.keys(): - if settings["fop_filetype"] == "xyz": - points_to_xyz_file( - "fop.txt", results["fops"], settings["resolution"], settings["radius"] - ) - elif settings["fop_filetype"] == "pdb": - points_to_pdb("fop", results["fops"]) - # not sure pickles work - elif settings["fop_filetype"] == "pickle": - with open("fop.txt", "wb") as f: - pickle.dump(frame_fop, f) - - if "pvol" in settings["auxdata"]: - with open("pvol.txt", "w") as f: - for i in results["pvol"]: - f.write(str(i) + "\n") - - if "rog" in settings["auxdata"]: - with open("rog.txt", "w") as f: - for i in results["rog"]: - f.write(str(i) + "\n") - - if "bb" in settings["auxdata"]: - with open("bb.txt", "w") as f: - for i in results["bb"]: - f.write(str(i) + "\n") - - if "prmsd" in settings["auxdata"]: - with open("prmsd.txt", "w") as f: - for i in results["prmsd"]: - f.write(str(i) + "\n") - - if "jd" in settings["auxdata"]: - with open("jd.txt", "w") as f: - for i in results["jd"]: - f.write(str(i) + "\n") - - if "composite" in settings["auxdata"]: - with open("composite.txt", "w") as f: - for i in results["composite"]: - f.write(str(i) + "\n") - - if args.csv is not None: - import pandas as pd - - results_pd = pd.DataFrame(results) - results_pd.to_csv(args.csv) diff --git a/westpa_scripts/pcoord_istate.py b/westpa_scripts/pcoord_istate.py deleted file mode 100755 index c2455f0..0000000 --- a/westpa_scripts/pcoord_istate.py +++ /dev/null @@ -1,175 +0,0 @@ -from pcoord import * - -# todo refactor this script -if __name__ == "__main__": - # Get arguments and load json settings file. - parser = argparse.ArgumentParser( - description="Obtain jaccard distance using a reference, a topology file and a MD trajectory file." - ) - parser.add_argument( - "istate", type=str, help="Define the istate or istate PDB file. It is required" - ) - parser.add_argument( - "settings", type=str, help="Define the settings file. It is required" - ) - args = parser.parse_args() - - # Function that obtains and checks for settings in the settings json file. - print(args.settings) - settings = check_input_settings_file(args.settings) - - # Load reference pdb file and trajectory to then align the trajectory using the reference. - protein = MDAnalysis.Universe(settings["reference"]) - reference = protein.select_atoms("protein") - - istate = MDAnalysis.Universe(args.istate) - - results = {} - for i in settings["pcoord"]: - results[i] = [] - for i in settings["auxdata"]: - results[i] = [] - if "composite" in results.keys(): - if "prmsd" not in results: - results["prmsd"] = [] - if "bb" not in results: - results["bb"] = [] - - # open file with selection string - with open(settings["selection_file"], "r") as f: - selection_pocket = f.readlines()[0] - - selection_alignment = selection_pocket + " and backbone" - - # if we are calculating composite progress coordiante (or auxiliary data) check that we have sigma - if "composite" in results.keys(): - if "sigma" in settings: - sigma = settings["sigma"] - else: - sigma = ( - 1 - - len(reference.select_atoms(selection_alignment)) - / len(reference.select_atoms("backbone")) - ) / 2 - - # open file with reference field of points - if settings["fop_filetype"] == "xyz": - reference_fop = parse_xyz_fop(settings["reference_fop"]) - elif settings["fop_filetype"] == "pdb": - reference_fop = parse_pdb_fop(settings["reference_fop"]) - elif settings["fop_filetype"] == "pickle": - import pickle - - with open(settings["reference_fop"], "rb") as f: - reference_fop = pickle.load(f) - else: - print("could not open reference FOP") - raise IOError("could not open reference FOP") - - align.alignto(istate, reference, select=selection_alignment) - - # Using the selection string to select atoms in the pocket - pocket_reference = reference.select_atoms(selection_pocket) - - # calculate pocket rmsd - - if "prmsd" in results.keys(): - results["prmsd"].append( - MDAnalysis.analysis.rms.rmsd( - pocket_reference.positions, - istate.select_atoms(selection_pocket).positions, - ) - ) - - if ( - "jd" in results.keys() - or "fops" in results.keys() - or "pvol" in results.keys() - or "rog" in results.keys() - ): - frame_coordinates = istate.select_atoms("protein").positions - pocket_calpha = istate.select_atoms( - selection_pocket + " and name CA*" - ).positions - frame_fop = get_field_of_points_dbscan( - frame_coordinates, - pocket_calpha, - settings["center"], - settings["resolution"], - settings["radius"], - ) - results["jd"].append( - get_jaccard_distance(reference_fop, frame_fop, settings["resolution"]) - ) - - if "fops" in results.keys(): - results["fops"].append(frame_fop) - - if "pvol" in results.keys(): - results["pvol"].append(len(frame_fop) * (settings["resolution"] ** 3)) - - if "rog" in results.keys(): - results["rog"].append(calculate_pocket_gyration(frame_fop)) - - if "bb" in results.keys(): - align.alignto(istate, reference, select="backbone") - results["bb"].append( - MDAnalysis.analysis.rms.rmsd( - reference.select_atoms("backbone").positions, - istate.select_atoms("backbone").positions, - ) - ) - - if "composite" in results.keys(): - results["composite"].append(results["prmsd"][-1] + (sigma * results["bb"][-1])) - - # writing in text files the progress coordinates and the required auxiliary data if needed. - with open("pcoord.txt", "w") as f: - for i in range(len(results[settings["pcoord"][0]])): - line = "" - for pcoord in settings["pcoord"]: - line += "{:.4f} ".format(results[pcoord][i]) - f.write(line + "\n") - - # save fop in file so it can be piped to h5 file - if "fops" in results.keys(): - if settings["fop_filetype"] == "xyz": - points_to_xyz_file( - "fop.txt", results["fops"], settings["resolution"], settings["radius"] - ) - elif settings["fop_filetype"] == "pdb": - points_to_pdb("fop", results["fops"]) - # not sure pickles work - elif settings["fop_filetype"] == "pickle": - with open("fop.txt", "wb") as f: - pickle.dump(frame_fop, f) - - if "pvol" in settings["auxdata"]: - with open("pvol.txt", "w") as f: - for i in results["pvol"]: - f.write(str(i) + "\n") - - if "rog" in settings["auxdata"]: - with open("rog.txt", "w") as f: - for i in results["rog"]: - f.write(str(i) + "\n") - - if "bb" in settings["auxdata"]: - with open("bb.txt", "w") as f: - for i in results["bb"]: - f.write(str(i) + "\n") - - if "prmsd" in settings["auxdata"]: - with open("prmsd.txt", "w") as f: - for i in results["prmsd"]: - f.write(str(i) + "\n") - - if "jd" in settings["auxdata"]: - with open("jd.txt", "w") as f: - for i in results["jd"]: - f.write(str(i) + "\n") - - if "composite" in settings["auxdata"]: - with open("composite.txt", "w") as f: - for i in results["composite"]: - f.write(str(i) + "\n") diff --git a/westpa_scripts/runseg.sh b/westpa_scripts/runseg.sh index 5b196cf..87180e3 100755 --- a/westpa_scripts/runseg.sh +++ b/westpa_scripts/runseg.sh @@ -38,7 +38,7 @@ cd $WEST_SIM_ROOT mkdir -pv $WEST_CURRENT_SEG_DATA_REF cd $WEST_CURRENT_SEG_DATA_REF -# Make symbolic links to the topology file and parameter files. These are not +# Make symbolic links to the topology file and parameter files. These are not # unique to each segment. # Either continue an existing tractory, or start a new trajectory. Here, both @@ -53,7 +53,7 @@ cd $WEST_CURRENT_SEG_DATA_REF # generated seed. # This trajectory segment will start off where its parent segment left off. -# The "ln" command makes symbolic links to the parent segment's edr, gro, and +# The "ln" command makes symbolic links to the parent segment's edr, gro, and # and trr files. This is preferable to copying the files, since it doesn't # require writing all the data again. ln -sv $WEST_PARENT_DATA_REF/pcoord.txt ./parent_pcoord.txt @@ -77,7 +77,7 @@ elif [ "$ENGINE" == "AMBER" ] ; then fi # This trajectory segment will start off where its parent segment left off. -# The "ln" command makes symbolic links to the parent segment's edr, gro, and +# The "ln" command makes symbolic links to the parent segment's edr, gro, and # and trr files. This is preferable to copying the files, since it doesn't # require writing all the data again. @@ -113,9 +113,9 @@ fi ########################## Calculate and return progress coordiante ########################### ######################################### SubPEx ############################################## -# Calculate the progress coordinate, which is the jaccard distance between the -# bstate and this segment. -# The script outputs the distance saving the values of the parent pcoord and the +# Calculate the progress coordinate, which is the jaccard distance between the +# bstate and this segment. +# The script outputs the distance saving the values of the parent pcoord and the # child pcoord to a file called pcoord.txt. # RUN PCOORD.PY (try three times because sometimes fails unexpectedly) @@ -144,4 +144,3 @@ else #rm timer.txt seg.coor.BAK seg.dcd.BAK seg.vel.BAK seg.xsc.BAK seg.xst.BAK #rm *restart* fi - diff --git a/westpa_scripts/tar_segs.sh b/westpa_scripts/tar_segs.sh index fa36142..610b8e3 100755 --- a/westpa_scripts/tar_segs.sh +++ b/westpa_scripts/tar_segs.sh @@ -15,4 +15,3 @@ for ITER in ${ITERS[@]}; do [ ! -f $ITER.tar ] && #ask Jen what the hell does this do tar -cvf $ITER.tar $ITER done - diff --git a/wizard.py b/wizard.py deleted file mode 100644 index ff548ea..0000000 --- a/wizard.py +++ /dev/null @@ -1,1149 +0,0 @@ -# The programs helps set up the SubPEx run. Runs only on linux. - -from io import TextIOWrapper -import textwrap -import os -import json -import sys -import subprocess -import time -import re -import glob -from typing import List, Tuple, Union - -try: - import yaml -except Exception: - print("\nPyYAML is missing. Have you set up your westpa conda environment?\n") - print("conda env create -f environment.yaml\nconda activate westpa\n") - exit(1) - -# Check to make sure running python3 -if sys.version_info[0] < 3: - print("\nPlease run this script with python3.\n") - exit(1) - -if os.name == "nt": - print("\nWizard script supported only on Linux. Sorry!\n") - exit(1) - -# Make sure west.cfg in present directory -if not os.path.exists("west.cfg"): - print( - "\nPlease run this script from the same directory containing the west.cfg file.\n" - ) - exit(1) - -CUR_PATH = os.path.abspath(os.path.dirname(__file__)) -PYTHON_EXE = os.path.abspath(sys.executable) -YAML_LOADER = yaml.SafeLoader -STEP_NUM = 1 -TEST_MODE = False - - -def get_step_num() -> str: # Requires Python3 - """Returns current step number. - - Returns: - str: Current step number. - """ - - global STEP_NUM - STEP_NUM = STEP_NUM + 1 - return str(STEP_NUM - 1) - - -def log(txt: str, underlined: bool = None): - """Prints text to screen, with optional underlining. - - Args: - txt (str): Text to print. - underlined (bool, optional): If True, underlines text. Defaults to None. - """ - - txt = txt.split("\n") - for line in txt: - t = textwrap.fill(line.strip(), 80) - print(t) - if underlined: - print(underlined * len(t)) - print("") - - -def choice(prompt: str, choices: List[str] = None) -> str: - """Prompts user for input, with optional choices. - - Args: - prompt (str): Prompt to display. - choices (List[str], optional): List of choices. Defaults to None. - - Returns: - str: User's choice. - """ - - if choices is None: - choices = ["y", "n"] - - lowers = [c.lower() for c in choices] - choices_to_show = [c for c in choices if c != ""] - while True: - answer = input(f"{prompt} (" + "/".join(choices_to_show) + "): ").lower() - if answer not in lowers: - if len(choices_to_show) == 2: - print("Please answer " + " or ".join(choices_to_show)) - else: - print( - "Please answer " + ", ".join(choices_to_show[:-1]) + ", or " + choices_to_show[-1] - ) - continue - return answer - - -def clear(): - """Clears screen.""" - os.system("clear") - - -def file_path(prompt: str, ext: str) -> str: - """Prompts user for file path, with optional extension. - - Args: - prompt (str): Prompt to display. - ext (str): File extension (for checking). - - Returns: - str: User's choice. - """ - - while True: - answer = input(f"{prompt}: ").strip() - pth = os.path.abspath(answer) - if not os.path.exists(pth): - log("\nFile does not exist: " + pth + ". Please try again.") - continue - if not pth.lower().endswith(ext.lower()): - log("\nFile does not end in ." + ext + ". Please try again.") - continue - return pth - - -def get_number(prompt: str) -> float: - """Prompts user for number. - - Args: - prompt (str): Prompt to display. - - Returns: - loat: User's choice. - """ - - while True: - answer = input(f"{prompt}: ").strip() - - try: - answer = float(answer) - except Exception: - log("\nPlease enter a number. Try again.") - continue - return answer - - -def get_time(prompt: str) -> str: - """Prompts user for time in format HH:MM:SS. - - Args: - prompt (str): Prompt to display. - - Returns: - str: User's choice. - """ - - while True: - answer = input(f"{prompt}: ").strip() - - # Make sure answer matches format HH:MM:SS - if not re.match(r"^\d{1,2}:\d{1,2}:\d{1,2}$", answer): - log("\nPlease enter time in the format HH:MM:SS. Try again.") - continue - - return answer - - -def save_choice(key: str, val): - """Saves choice to wizard.saved file. - - Args: - key (str): Key to save. - val (any): Value to save. - """ - - if os.path.exists("wizard.saved"): - with open("wizard.saved", "r") as f: - config = json.load(f) - else: - config = {} - config[key] = val - with open("wizard.saved", "w") as f: - json.dump(config, f, indent=4) - - -def get_choice(key: str, func_if_absent: callable) -> any: - """Gets choice from wizard.saved file, or prompts user if not present. - - Args: - key (str): Key to get. - func_if_absent (callable): Function to call if key is not present. - - Returns: - any: User's choice. - """ - - if not os.path.exists("wizard.saved"): - val = func_if_absent() - save_choice(key, val) - return val - with open("wizard.saved", "r") as f: - config = json.load(f) - if key not in config: - val = func_if_absent() - save_choice(key, val) - return val - log(f"Using previous choice for {key}: {str(config[key])}") - return config[key] - - -def forget_choice(key: str): - """Forgets choice from wizard.saved file. - - Args: - key (str): Key to forget. - """ - - if os.path.exists("wizard.saved"): - with open("wizard.saved", "r") as f: - config = json.load(f) - else: - config = {} - - if key in config: - del config[key] - - with open("wizard.saved", "w") as f: - json.dump(config, f, indent=4) - - -def run_cmd(prts: List[str]) -> str: - """Runs command, prints output, and returns output. - - Args: - prts (List[str]): Command to run. - - Returns: - str: Output of command. - """ - - # if prts is a list - if isinstance(prts, list): - log("Running command: " + " ".join(prts)) - shell = False - else: - log(f"Running command: {prts}") - shell = True - - def run_iter(prts): - cmd = subprocess.Popen( - prts, - stdout=subprocess.PIPE, - universal_newlines=True, - bufsize=1, - shell=shell, - ) - yield from iter(cmd.stdout.readline, "") - cmd.stdout.close() - return_code = cmd.wait() - if return_code: - error = cmd.stderr.read() - print(error) - raise subprocess.CalledProcessError(return_code, cmd) - - output = "" - for line in run_iter(prts): - print(line, end="") - output += line - - return output.strip() - - -def link_to_reference_mol(flnm: str): - """symbolically links file to reference/mol.ext. - - Args: - flnm (str): File to link. - """ - - ext = flnm.split(".")[-1] - dest_file = f"{CUR_PATH}/reference/mol.{ext}" - if os.path.exists(dest_file): - os.remove(dest_file) - run_cmd(["ln", "-s", flnm, dest_file]) - - -def openfile(filename: str) -> TextIOWrapper: - """Opens file for editing, creating a backup if necessary. - - Args: - filename (str): File to open. - - Returns: - file (TextIOWrapper): File object. - """ - - if not os.path.exists(f"{filename}.orig"): - os.system(f"cp {filename} {filename}.orig") - return open(f"{filename}.orig", "r") - -def enter_to_continue(): - """Asks user to press ENTER to continue.""" - - input("Press ENTER to continue... ") - log("") - - -def check_if_restart_sim() -> bool: - """Checks if user wants to restart simulation. - - Returns: - bool: True if user wants to restart simulation, False otherwise. - """ - - if os.path.exists("west.h5"): - log(f"STEP {get_step_num()}: Restart previous SubPEx run?", "-") - log( - "It appears you have previously run SubPEx in this directory because a west.h5 exists." - ) - log( - "Would you like to have SubPEx resume the previous run rather than start over?" - ) - if choice("Resume previous run?") == "y": - run_cmd( - "./utils/restart_subpex.sh -n $(ls traj_segs/ | sort -n | tail -n 1)" - ) - log( - "\nYour SubPEx job is now ready for a restart run, using ./run.sh." - ) - # clear() - return True - - clear() - return False - - -def check_existing_params(): - """Checks if user wants to use existing parameters.""" - - if not os.path.exists("wizard.saved"): - return - - log(f"STEP {get_step_num()}: Use previous wizard choices?", "-") - log( - 'You previously used this wizard, and your choices were saved to the file "wizard.saved". Here are the previous choices:' - ) - - with open("wizard.saved", "r") as f: - config = json.load(f) - for key in config: - print(f" {key}: {config[key]}") - - log("\nWould you like to use the same choices this time?") - - if choice("Use previous choices?") == "n": - os.system("rm wizard.saved") - clear() - - -def confirm_environment(): - """Confirms that user has created and activated anaconda environment.""" - - log(f"STEP {get_step_num()}: Environment", "-") - log( - "You should run this wizard using an appropriate anaconda environment. To create the environment, install anaconda and create/activate the environment like this:" - ) - - log("conda env create -f environment.yaml\n conda activate westpa") - if choice("Have you created and activated the environment?") == "n": - log("\nPlease create and activate the environment. Then try again.") - exit(1) - clear() - - -def confirm_dependencies(): - """Confirms that user has installed dependencies.""" - - log(f"Step {get_step_num()}: Check dependencies", "-") - - if ( - choice("Would you like to check that key dependencies have been installed?") - == "y" - ): - print("") - - # Load environment.yaml into a dictionary - with open("environment.yaml", "r") as f: - env = yaml.load(f, Loader=YAML_LOADER) - env = [v for v in env["dependencies"] if v[:1] != "_"] - env = [v.split("=")[0] for v in env] - to_ignore = [ - "biopython", - "bzip2", - "curl", - "freetype", - "griddataformats", - "hdf4", - "hdf5", - "ipython", - "jpeg", - "krb5", - "lcms2", - "libblas", - "libcblas", - "libcurl", - "libedit", - "libev", - "libffi", - "libgfortran5", - "libgomp", - "liblapack", - "libnetcdf", - "libnghttp2", - "libopenblas", - "libpng", - "libsodium", - "libssh2", - "libtiff", - "mdanalysis", - "ncurses", - "netcdf4", - "openssl", - "pillow", - "python", - "python_abi", - "pyyaml", - "pyzmq", - "sqlite", - "tk", - "westpa", - "xz", - "zeromq", - "zstd", - ] - - for v in env: - if v in to_ignore: - continue - if "-" in v: - continue - print(f"Testing module {v}") - try: - __import__(v) - except Exception: - log( - ( - "\nModule " - + v - + " is missing. Have you created and activated the westpa environment?" - ) - ) - - log("conda env create -f environment.yaml\n conda activate westpa") - log("Please create/activate it and try again.") - exit(1) - clear() - - -def amber_or_namd(get_pcoord: str, runseg: str) -> Tuple[str, str, str]: - """Asks user if they want to use Amber or NAMD. - - Args: - get_pcoord (str): contents of the get_pcoord.sh file as a string. - runseg (str): contents of the runseg.sh file as a string. - - Returns: - Tuple[str, str, str]: Tuple containing the engine, get_pcoord.sh file - as a string, and runseg.sh file as a string. - """ - - log(f"STEP {get_step_num()}: MD engine", "-") - - if TEST_MODE: - engine = "amber" - log("Using Amber MD engine (test mode).") - enter_to_continue() - else: - engine = get_choice( - "engine", - lambda: choice( - "Will you use the Amber or NAMD MD engine?", choices=["Amber", "NAMD"] - ), - ) - - clear() - get_pcoord = re.sub( - r'^export ENGINE=".*?"', - f'export ENGINE="{engine.upper()}"', - get_pcoord, - flags=re.MULTILINE, - ) - - runseg = re.sub( - r'^export ENGINE=".*"', - f'export ENGINE="{engine.upper()}"', - runseg, - flags=re.MULTILINE, - ) - - return engine, get_pcoord, runseg - - -def download_testing_files(filename: str) -> str: - """Downloads testing files from durrantlab. - - Args: - filename (str): Name of file to download. - - Returns: - str: Path to downloaded file. - """ - - url = f"https://durrantlab.pitt.edu/apps/subpex/{filename}" - - # Make the downloads directory if it doesn't exist - if not os.path.exists("downloads"): - os.mkdir("downloads") - - # Download the file using a library from the python standard library - import urllib.request - - log(f"Downloading {filename} from {url}...") - - urllib.request.urlretrieve(url, f"downloads/{filename}") - - return os.path.abspath(f"downloads/{filename}") - - -def get_prelim_sim_files(engine: str): - """Asks user for preliminary (equilibrated) simulation files. - - Args: - engine (str): MD engine to use. "amber" or "namd" - """ - - log(f"STEP {get_step_num()}: Preliminary MD files", "-") - log( - "SubPEx assumes you have already run preliminary simulations to equilibrate your system. Where are the coordinate and restart files associated with these preliminary simulations?" - ) - - log( - "(Note that you can press Ctrl-Z to pause the wizard and search for the file. Type `fg` to resume the wizard when done.)" - ) - - if TEST_MODE: - log("Downloading Amber .nc, .rst, and .prmtop files for testing (test mode).") - coor_file = download_testing_files("mol.nc") - restart_files = [download_testing_files("mol.rst")] - prmtop_file = download_testing_files("mol.prmtop") - enter_to_continue() - else: - if engine == "amber": - coor_file = get_choice("coor_file", lambda: file_path("Amber .nc file", ".nc")) - restart_files = [ - get_choice("restart_files", lambda: file_path("Amber .rst file", ".rst")) - ] - elif engine == "namd": - coor_file = get_choice("coor_file", lambda: file_path("NAMD .dcd file", ".dcd")) - - restart_files = [ - get_choice("_ignore", lambda: file_path(f"NAMD {ext} file", ext)) - for ext in [".xsc", ".coor", ".inpcrd"] - ] - - # save_choice("restart_files", restart_files) - - prmtop_file = get_choice( - "prmtop_file", lambda: file_path("Parameter (.prmtop) file", ".prmtop") - ) - - run_cmd(["rm", "-f", f"{CUR_PATH}/reference/mol.*"]) - link_to_reference_mol(coor_file) - for restart_file in restart_files: - link_to_reference_mol(restart_file) - link_to_reference_mol(prmtop_file) - clear() - - -def get_sim_last_frame(): - """Asks user for the last frame of the preliminary simulation.""" - - log(f"STEP {get_step_num()}: Preliminary MD last frame", "-") - log( - "SubPEx needs the last frame of the preliminary trajectory as a `pdb` file. You can use programs such as VMD to save the last frame." - ) - - if TEST_MODE: - log("Downloading Amber .pdb file for testing (test mode).") - last_frame_file = download_testing_files("mol.pdb") - enter_to_continue() - else: - last_frame_file = get_choice( - "last_frame_file", lambda: file_path("Last-frame .pdb file", ".pdb") - ) - - link_to_reference_mol(last_frame_file) - clear() - - -def update_westcfg_path_vars(westcfg: str) -> str: - """Updates the path variables in the west.cfg file. - - Args: - westcfg (str): contents of the west.cfg file as a string. - - Returns: - str: updated west.cfg file as a string. - """ - - westcfg = re.sub( - r"\bselection_file: .*?$", - f"selection_file: {CUR_PATH}/reference/selection_string.txt", - westcfg, - flags=re.MULTILINE, - ) - - westcfg = re.sub( - r"\btopology: .*$", - f"topology: {CUR_PATH}/reference/mol.prmtop", - westcfg, - flags=re.MULTILINE, - ) - - westcfg = re.sub( - r"\bwest_home: .*$", f"west_home: {CUR_PATH}", westcfg, flags=re.MULTILINE - ) - - westcfg = re.sub( - r"\breference: .*$", - f"reference: {CUR_PATH}/reference/mol.pdb", - westcfg, - flags=re.MULTILINE, - ) - - westcfg = re.sub( - r"\breference_fop: .*$", - f"reference_fop: {CUR_PATH}/reference/fop_ref.xyz", - westcfg, - flags=re.MULTILINE, - ) - - return westcfg - - -def pick_pcoord(westcfg: str) -> Tuple[str, str]: - """Asks user to pick a progress coordinate. - - Args: - westcfg (str): contents of the west.cfg file as a string. - - Returns: - Tuple[str, str]: Tuple containing the updated west.cfg file as a string - and the progress coordinate name. - """ - - log(f"STEP {get_step_num()}: Progress coordinate", "-") - log("Which progress coordinate would you like to use?") - log( - "composite: combination of pocket and back-bone RMSD (recommended)\nprmsd: RMSD of pocket-lining atoms (not officially supported)\nbb: RMSD of all back-bone atoms (not officially supported)\njd: Jaccard distance between pocket shapes (not officially supported)" - ) - - if TEST_MODE: - log("Using composite progress coordinate (test mode).") - pcoord = "composite" - enter_to_continue() - else: - pcoord = get_choice( - "pcoord", - lambda: choice( - "Which progress coordinate?", choices=["composite", "prmsd", "bb", "jd", ""] - ), - ) - - westcfg = re.sub( - r"(\bpcoord:\s*\n\s*- ).*$", r"\1" + pcoord, westcfg, flags=re.MULTILINE - ) - - clear() - return westcfg, pcoord - - -def specify_number_iterations(westcfg: str) -> str: - """Asks user to specify the number of iterations. - - Args: - westcfg (str): contents of the west.cfg file as a string. - - Returns: - str: updated west.cfg file as a string. - """ - - log(f"STEP {get_step_num()}: Number of iterations (generations)", "-") - log( - "SubPEx periodically prunes and duplicates short simulations (walkers) to encourage sampling. How many times (iterations/generations) should SubPEx perform this pruning/duplication before stopping? (Recommendation: 30)" - ) - - if TEST_MODE: - log("Using 3 iterations (test mode).") - iterations = 3 - enter_to_continue() - else: - iterations = int( - get_choice("iterations", lambda: get_number("Number of iterations")) - ) - - westcfg = re.sub( - r"\bmax_total_iterations: .*$", - f"max_total_iterations: {iterations}", - westcfg, - flags=re.MULTILINE, - ) - - clear() - return westcfg - - -def define_pocket(westcfg: str) -> str: - """Asks user to define the binding pocket. - - Args: - westcfg (str): contents of the west.cfg file as a string. - - Returns: - str: updated west.cfg file as a string. - """ - - log(f"STEP {get_step_num()}: Define the binding pocket", "-") - log( - "You must define the location of the binding pocket you wish to sample. Visual inspection (e.g., using VMD) is often useful for this step. See README.md for more suggestions." - ) - - log( - f"Be sure to specify the location of the pocket relative to the reference PDB file: {CUR_PATH}/reference/mol.pdb" - ) - - if TEST_MODE: - log("Using default pocket: radius = 6.5, center = [30.0, 41.5, 30.4] (test mode).") - pocket_radius = 6.5 - x_coor = 30.0 - y_coor = 41.5 - z_coor = 30.4 - enter_to_continue() - else: - pocket_radius = get_choice("pocket_radius", lambda: get_number("Pocket radius")) - x_coor = get_choice("x_coor", lambda: get_number("X coordinate of pocket center")) - y_coor = get_choice("y_coor", lambda: get_number("Y coordinate of pocket center")) - z_coor = get_choice("z_coor", lambda: get_number("Z coordinate of pocket center")) - - westcfg = re.sub( - r"\bcenter: \[.*\]", - f"center: [{str(x_coor)}, {str(y_coor)}, {str(z_coor)}]", - westcfg, - flags=re.MULTILINE, - ) - - westcfg = re.sub( - r"\bradius: .*$", f"radius: {str(pocket_radius)}", westcfg, flags=re.MULTILINE - ) - - with open("west.cfg", "w") as f: - f.write(westcfg) - - run_cmd(["rm", "-f", f"{CUR_PATH}/reference/fop_ref.xyz"]) - run_cmd(["rm", "-f", f"{CUR_PATH}/reference/selection_string.txt"]) - run_cmd([PYTHON_EXE, "./westpa_scripts/get_reference_fop.py", "west.cfg"]) - if not os.path.exists(f"{CUR_PATH}/reference/fop_ref.xyz") or not os.path.exists( - f"{CUR_PATH}/reference/selection_string.txt" - ): - log( - ( - ( - "ERROR: Could not generate reference-fop file (fop_ref.xyz) and/or selection-string file (selection_string.txt) in the directory " - + CUR_PATH - ) - + "/reference/" - ) - ) - - log( - "Are you sure the center and radius specified encompass at least some of the pocket-lining residues?" - ) - - sys.exit(1) - clear() - westcfg = check_pocket(westcfg) - return westcfg - - -def check_pocket(westcfg: str) -> str: - """Asks user to check the binding pocket. - - Args: - westcfg (str): contents of the west.cfg file as a string. - - Returns: - str: updated west.cfg file as a string. - """ - - log(f"STEP {get_step_num()}: Check the binding pocket", "-") - log( - f"The wizard has generated a pocket-field-of-points (fop) file ({CUR_PATH}/reference/fop_ref.xyz) and a selection-string file ({CUR_PATH}/reference/selection_string.txt)." - ) - - log("Please visually inspect these files to:") - log( - "1. Ensure that the points in fop_ref.xyz entirely fill the pocket of interest." - ) - - log( - "2. Ensure that the residues described in selection_string.txt truly line the pocket of interest." - ) - - log( - "(Note that the popular molecular visualization program VMD can load xyz files and select residues." - ) - - if TEST_MODE: - log("Assuming pocket correct (test mode).") - enter_to_continue() - elif choice("Can you confirm the pocket is properly defined?") == "n": - clear() - forget_choice("pocket_radius") - forget_choice("x_coor") - forget_choice("y_coor") - forget_choice("z_coor") - westcfg = define_pocket(westcfg) - clear() - return westcfg - - -def update_envsh(envsh: str, engine: str) -> str: - """Asks user to update the env.sh file. - - Args: - envsh (str): contents of the env.sh file as a string. - engine (str): engine to use. - - Returns: - str: updated env.sh file as a string. - """ - - log(f"STEP {get_step_num()}: Update env.sh", "-") - envsh = re.sub( - r'^export ENGINE=".*?"', - f'export ENGINE="{engine.upper()}"', - envsh, - flags=re.MULTILINE, - ) - - if TEST_MODE: - log("Using GPU (test mode).") - mode = "GPU" - enter_to_continue() - else: - mode = get_choice( - "mode", - lambda: choice( - "How will you run SubPEx (only GPU officially supported)?", choices=["GPU", "MPI", "MULTITHREAD"] - ), - ) - - envsh = re.sub( - r'^export MODE=".*?"', - f'export MODE="{mode.upper()}"', - envsh, - flags=re.MULTILINE, - ) - - clear() - return envsh - - -def define_adaptive_bins(adaptivepy: str, pcoord: str) -> str: - """Asks user to define the adaptive bins. - - Args: - adaptivepy (str): contents of the adaptive.py file as a string. - pcoord (str): progress coordinate to use. - - Returns: - str: updated adaptive.py file as a string. - """ - - # If pcoord is "jd", max is 1.0. - log(f"STEP {get_step_num()}: Define adaptive bins", "-") - log( - "SubPEx uses WESTPA to enhance the sampling of your pocket. A progress coordinate assesses the extent of sampling. This progress coordinate is divided into bins, and WESTPA works to make sure the simulations collectively sample all bins equally." - ) - - log(f"You previously selected the progress coordinate: {pcoord}") - if pcoord == "jd": - maxcap = 1.0 - save_choice("maxcap", maxcap) - else: - log( - "What is the maximum value of the progress coordinate beyond which SubPEx should no longer enhance sampling (in Angstroms)? We recommend 5." - ) - - if TEST_MODE: - log("Using 5.0 (test mode).") - maxcap = 5.0 - enter_to_continue() - else: - maxcap = get_choice("maxcap", lambda: get_number("Maximum value")) - - log("\nHow many bins would you like to use? We recommend 15.") - - if TEST_MODE: - log("Using 15 bins (test mode).") - binsperdim = 15 - enter_to_continue() - else: - binsperdim = get_choice("binsperdim", lambda: int(get_number("Bin count"))) - - log( - "\nHow many walkers (mini simulations) would you like run per bin? Using more improves sampling at the cost of computer resources. We recommend 3." - ) - - if TEST_MODE: - log("Using 3 walkers per bin (test mode).") - bintargetcount = 3 - enter_to_continue() - else: - bintargetcount = get_choice( - "bintargetcount", lambda: int(get_number("Number of walkers per bin")) - ) - - adaptivepy = re.sub( - r"^maxcap\s*=\s*\[.*\]", - f"maxcap = [{str(maxcap)}]", - adaptivepy, - flags=re.MULTILINE, - ) - - adaptivepy = re.sub( - r"^binsperdim\s*=\s*\[.*\]", - f"binsperdim = [{str(binsperdim)}]", - adaptivepy, - flags=re.MULTILINE, - ) - - adaptivepy = re.sub( - r"^bintargetcount\s*=\s*\d*", - f"bintargetcount = {str(bintargetcount)}", - adaptivepy, - flags=re.MULTILINE, - ) - - clear() - return adaptivepy - - -def update_run_time_and_job_name(westcfg: str) -> str: - """Asks user to update the run time and job name. - - Args: - westcfg (str): contents of the west.cfg file as a string. - - Returns: - str: updated west.cfg file as a string. - """ - - log(f"STEP {get_step_num()}: Update job run time and name", "-") - - log( - "How long should your SubPEx job run? (Format your response like HH:MM:SS, e.g., 72:00:00 for 72 hours)" - ) - if TEST_MODE: - log("Using 72:00:00 (test mode).") - run_time = "72:00:00" - enter_to_continue() - else: - run_time = get_choice("run_time", lambda: get_time("Run time")) - - log('\nWhat is the name of your SubPEx job? (e.g., "my_job")') - - if TEST_MODE: - log('Using "subpex_job" (test mode).') - job_name = "subpex_job" - enter_to_continue() - else: - job_name = get_choice("job_name", lambda: input("Job name: ").replace('"', "")) - - westcfg = re.sub( - r"\bmax_run_wallclock:\s*\d{1,2}:\d{1,2}:\d{1,2}\b", - f"max_run_wallclock: {run_time}", - westcfg, - flags=re.MULTILINE, - ) - - for submit_file in glob.glob("aux_scripts/run.slurm*.sh"): - with openfile(submit_file) as f: - runsh = f.read() - runsh = re.sub( - r"^#SBATCH --time=.*$", - f"#SBATCH --time={run_time}", - runsh, - flags=re.MULTILINE, - ) - runsh = re.sub( - r"^#SBATCH --job-name=.*$", - f"#SBATCH --job-name={job_name}", - runsh, - flags=re.MULTILINE, - ) - with open(submit_file, "w") as f: - f.write(runsh) - - clear() - return westcfg - - -def run_init() -> str: - """Runs the init.sh script to initialize the SubPEx run. - - Returns: - str: contents of the west.cfg file as a string. - """ - - log(f"STEP {get_step_num()}: Initialize the SubPEx run", "-") - if os.path.exists("west.h5"): - log( - "Would you like to clear the previous SubPEx run? WARNING: This will delete previously generated files, erasing the previous results so you can start a fresh SubPEx run." - ) - - if choice("Delete previous run and start over") == "y": - print("") - run_cmd(["rm", "-f", "./job_logs/*"]) - run_cmd(["rm", "-f", "west.h5"]) - run_cmd(["./init.sh"]) - if not os.path.exists("west.h5"): - log("ERROR: Could not initialize the SubPEx run.") - sys.exit(1) - else: - clear() - else: - run_cmd(["rm", "-f", "./job_logs/*"]) - run_cmd(["./init.sh"]) - if not os.path.exists("west.h5"): - log("ERROR: Could not initialize the SubPEx run.") - sys.exit(1) - else: - clear() - return westcfg - - -def finished(): - """Prints the final message to the user.""" - - log("It appears the wizard was successful.") - log("Optional steps NOT performed", "-") - log( - "The wizard has NOT performed any of the following optional steps. (The defaults should be fine in most cases.)" - ) - log( - '1. No changes to the list of auxiliary data to calculate ("west.cfg"). Unless you have modified "west.cfg", all such data will be calculated.' - ) - log( - '2. No changes to the "subpex -> resolution" field ("west.cfg"). If you plan to use the "jd" progress coordinate (not officially supported), you may wish to modify this field.' - ) - log( - '3. No changes to some of the minor parameters that control adaptive binning (e.g., "pcoordlength"; see "./adaptive_binning/adaptive.py").' - ) - log("Critical steps NOT performed", "-") - log( - "The wizard has also NOT performed any of the following CRITICAL steps, which you must perform separately." - ) - log( - '1. Some needed changes still required to the "env.sh" file. Edit "env.sh" per your specific computing environment.' - ) - log( - '2. Some needed changes still required to the "aux_scripts/run.slurm.*.sh" files. If using SLURM (not officially supported), edit these files per your environment.' - ) - log("NOTE: To run your SubPEx job, use the ./run.sh script.") - -# Load files -with openfile("./west.cfg") as f: - westcfg = f.read() - -with openfile("./adaptive_binning/adaptive.py") as f: - adaptivepy = f.read() - -with openfile("./westpa_scripts/get_pcoord.sh") as f: - get_pcoord = f.read() - -with openfile("./westpa_scripts/runseg.sh") as f: - runseg = f.read() - -with openfile("./env.sh") as f: - envsh = f.read() - - -clear() -log( - "This wizard is designed to help users setup and run SubPEx. See the README.md for more details." -) -log("You may exit this wizard at any time by pressing Ctrl+C.") - -# Does --test appear in the args? If not, let user know that's an option. -if "--test" not in sys.argv: - log( - "Developers can run this wizard in test mode to verify codebase changes by passing the --test flag." - ) -else: - log("Running in test mode.") - TEST_MODE = True - -enter_to_continue() - -if check_if_restart_sim(): - # Exit - sys.exit(0) - -check_existing_params() -confirm_environment() -confirm_dependencies() -engine, get_pcoord, runseg = amber_or_namd(get_pcoord, runseg) -get_prelim_sim_files(engine) -get_sim_last_frame() -westcfg = update_westcfg_path_vars(westcfg) -westcfg, pcoord = pick_pcoord(westcfg) -westcfg = specify_number_iterations(westcfg) -westcfg = define_pocket(westcfg) -envsh = update_envsh(envsh, engine) -adaptivepy = define_adaptive_bins(adaptivepy, pcoord) -westcfg = update_run_time_and_job_name(westcfg) - -# Save west.cfg -with open("./west.cfg", "w") as f: - f.write(westcfg) - -with open("./adaptive_binning/adaptive.py", "w") as f: - f.write(adaptivepy) - -with open("./westpa_scripts/get_pcoord.sh", "w") as f: - f.write(get_pcoord) - -with open("./westpa_scripts/runseg.sh", "w") as f: - f.write(runseg) - -with open("./env.sh", "w") as f: - f.write(envsh) - -run_init() -finished()